#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 2.93 -0.48 5.56 -2.85 -1.26 -5.08 119.74 118.56 1kkd s LYS 2 Ca 0.00 -0.71 0.06 0.00 -1.00 0.00 0.00 55.97 54.32 1kkd s LYS 2 Cb 0.00 -2.61 0.18 0.00 -2.06 0.00 0.00 37.83 33.35 1kkd s LYS 2 CO 0.00 -0.31 0.63 -1.17 0.10 0.00 0.00 175.35 174.60 1kkd s LEU 3 N -4.52 -0.91 -0.02 2.77 1.98 -1.26 -5.14 118.68 111.60 1kkd s LEU 3 Ca 0.50 -1.83 0.04 0.00 -2.89 0.00 0.00 54.13 49.96 1kkd s LEU 3 Cb -0.10 1.44 -0.01 0.00 0.66 0.00 0.00 46.19 48.18 1kkd s LEU 3 CO 0.36 -0.10 -0.15 -0.70 -1.89 0.00 0.00 176.35 173.88 1kkd s GLU 4 N 0.89 1.25 -0.28 1.98 2.12 -1.26 -5.13 118.70 118.28 1kkd s GLU 4 Ca 0.28 -0.53 -0.22 0.00 0.36 0.00 0.00 54.97 54.85 1kkd s GLU 4 Cb -0.01 -1.20 0.11 0.00 0.26 0.00 0.00 34.13 33.29 1kkd s GLU 4 CO -0.08 0.30 0.89 -1.17 -0.54 0.00 0.00 175.26 174.67 1kkd s LEU 5 N -0.29 -0.61 -0.33 2.70 2.96 -1.26 -5.14 118.68 116.72 1kkd s LEU 5 Ca 0.04 1.10 -0.08 0.00 -0.22 0.00 0.00 54.13 54.98 1kkd s LEU 5 Cb -0.06 2.09 0.02 0.00 0.50 0.00 0.00 46.19 48.73 1kkd s LEU 5 CO -0.00 -0.19 0.12 0.28 -1.32 0.00 0.00 176.35 175.25 1kkd s THR 6 N 0.63 4.13 0.80 3.68 -1.32 -1.26 -5.08 115.64 117.22 1kkd s THR 6 Ca -0.01 -0.82 -0.13 0.00 -1.21 0.00 0.00 61.69 59.53 1kkd s THR 6 Cb -0.05 -3.22 0.08 0.00 -1.51 0.00 0.00 72.50 67.80 1kkd s THR 6 CO -0.07 -0.06 1.16 -1.59 -2.21 0.00 0.00 174.62 171.85 1kkd s LYS 7 N 1.50 1.80 -0.94 7.08 -2.85 -1.26 -4.91 119.74 120.15 1kkd s LYS 7 Ca 0.02 1.58 -0.20 0.00 -1.00 0.00 0.00 55.97 56.38 1kkd s LYS 7 Cb -0.18 -1.81 0.12 0.00 -2.06 0.00 0.00 37.83 33.89 1kkd s LYS 7 CO 0.04 -2.06 1.18 0.00 0.10 0.00 0.00 175.35 174.62 1kkd s ALA 8 N -2.37 3.25 -0.93 0.59 0.00 -1.26 -4.94 121.76 116.10 1kkd s ALA 8 Ca 0.69 -2.67 -0.25 0.00 0.00 0.00 0.00 51.96 49.73 1kkd s ALA 8 Cb -0.25 -4.13 -0.09 0.00 0.00 0.00 0.00 23.12 18.65 1kkd s ALA 8 CO 0.51 -3.10 2.07 -1.21 0.00 0.00 0.00 175.76 174.04 1kkd s GLU 9 N 3.10 2.21 -0.74 0.00 0.41 -1.26 -4.03 118.70 118.40 1kkd s GLU 9 Ca 0.35 -0.23 -0.18 0.00 -0.41 0.00 0.00 54.97 54.51 1kkd s GLU 9 Cb -0.04 -5.01 0.02 0.00 -1.78 0.00 0.00 34.13 27.32 1kkd s GLU 9 CO -0.10 -3.88 0.33 1.63 -0.49 0.00 0.00 175.26 172.76 1kkd n LYS 10 N 8.72 -0.62 -3.91 1.61 5.02 -1.26 -4.88 118.16 122.85 1kkd n LYS 10 Ca 0.43 -0.16 -0.21 0.00 -2.02 0.00 0.00 58.31 56.35 1kkd n LYS 10 Cb 0.46 -1.17 -0.02 0.00 -0.02 0.00 0.00 35.03 34.28 1kkd n LYS 10 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1kkd s HIS 11 N -4.10 3.42 0.00 2.13 2.46 -1.26 -5.01 115.29 112.93 1kkd s HIS 11 Ca 0.24 -0.03 0.00 0.00 0.47 0.00 0.00 55.06 55.74 1kkd s HIS 11 Cb -0.14 -1.62 0.00 0.00 -0.13 0.00 0.00 32.58 30.69 1kkd s HIS 11 CO 0.57 0.39 0.70 1.55 -2.47 0.00 0.00 174.74 175.47 1kkd n VAL 12 N -1.44 0.48 -3.98 0.89 3.14 -1.26 -5.00 118.33 111.17 1kkd n VAL 12 Ca -0.08 -0.60 -0.28 0.00 -2.96 0.00 0.00 64.34 60.42 1kkd n VAL 12 Cb 0.57 0.85 -0.01 0.00 -1.06 0.00 0.00 33.84 34.19 1kkd n VAL 12 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1kkd n HIS 13 N -0.24 -1.79 -3.02 1.45 1.44 -1.26 -3.24 115.22 108.55 1kkd n HIS 13 Ca 0.00 0.79 -0.00 0.00 -2.01 0.00 0.00 57.72 56.50 1kkd n HIS 13 Cb 0.24 -3.69 -0.00 0.00 0.12 0.00 0.00 29.99 26.66 1kkd n HIS 13 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1kkd n ASN 14 N -2.90 -6.93 -4.85 4.39 5.15 -1.26 -5.00 115.26 103.86 1kkd n ASN 14 Ca -0.18 0.78 -0.23 0.00 -0.60 0.00 0.00 54.58 54.36 1kkd n ASN 14 Cb 0.62 -2.86 -0.04 0.00 -0.53 0.00 0.00 39.78 36.98 1kkd n ASN 14 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1kkd s PHE 15 N -1.15 2.49 -0.54 1.20 5.36 -1.20 -5.00 117.98 119.14 1kkd s PHE 15 Ca -0.01 -0.58 -0.07 0.00 -0.96 0.00 0.00 56.93 55.32 1kkd s PHE 15 Cb 0.00 -2.08 -0.18 0.00 -0.34 0.00 0.00 43.02 40.42 1kkd s PHE 15 CO 0.27 -0.12 3.13 0.00 -1.46 0.00 0.00 175.22 177.04 1kkd n MET 16 N -1.52 2.38 -0.00 10.12 0.00 -1.26 -4.18 117.12 122.66 1kkd n MET 16 Ca 0.02 -1.32 -0.16 0.00 0.00 0.00 0.00 57.70 56.24 1kkd n MET 16 Cb 0.63 -2.24 -0.14 0.00 0.00 0.00 0.00 33.22 31.47 1kkd n MET 16 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 1kkd n MET 17 N 2.98 0.71 -2.13 3.17 2.81 -1.26 -4.40 117.12 118.98 1kkd n MET 17 Ca 0.51 0.28 -0.42 0.00 -1.81 0.00 0.00 57.70 56.26 1kkd n MET 17 Cb 0.60 -1.75 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 1kkd n MET 17 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1kkd n ASP 18 N -3.30 5.86 0.00 7.83 2.03 -1.26 -4.14 116.55 123.57 1kkd n ASP 18 Ca -0.25 -3.06 0.00 0.00 0.52 0.00 0.00 54.79 52.00 1kkd n ASP 18 Cb 1.05 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 1kkd n ASP 18 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1kkd n THR 19 N 3.13 0.00 -2.81 5.18 -2.24 -1.26 -4.90 114.28 111.39 1kkd n THR 19 Ca 0.48 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 62.00 1kkd n THR 19 Cb 0.33 -0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 67.67 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 -2.62 3.26 -3.15 -0.78 1.13 -1.26 -4.90 117.38 109.06 1kkd n GLN 20 Ca 0.00 -4.74 0.05 0.00 -1.94 0.00 0.00 57.00 50.37 1kkd n GLN 20 Cb 0.25 -2.23 -0.01 0.00 0.11 0.00 0.00 30.24 28.35 1kkd n GLN 20 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 1kkd s LEU 21 N -3.48 -0.87 0.00 1.08 0.05 -1.26 -5.05 118.68 109.15 1kkd s LEU 21 Ca 0.48 0.53 0.00 0.00 0.05 0.00 0.00 54.13 55.19 1kkd s LEU 21 Cb 0.32 1.72 0.00 0.00 -2.05 0.00 0.00 46.19 46.18 1kkd s LEU 21 CO -0.15 -0.16 0.00 0.41 -0.55 0.00 0.00 176.35 175.90 1kkd n THR 22 N 5.45 -1.76 0.00 5.48 -1.04 -1.26 -4.92 114.28 116.23 1kkd n THR 22 Ca -0.04 0.42 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 1kkd n THR 22 Cb 0.53 -2.70 0.00 0.00 -1.82 0.00 0.00 70.33 66.34 1kkd n THR 22 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1kkd n LYS 23 N 1.29 0.22 -3.86 -2.82 0.00 -1.26 -4.99 118.16 106.75 1kkd n LYS 23 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 1kkd n LYS 23 Cb 0.42 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.46 1kkd n LYS 23 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1kkd s ARG 24 N 0.00 2.14 -0.68 -1.58 3.03 -1.26 -4.95 118.95 115.66 1kkd s ARG 24 Ca 0.00 -1.46 -0.13 0.00 2.03 0.00 0.00 55.73 56.17 1kkd s ARG 24 Cb 0.00 0.59 0.02 0.00 -1.03 0.00 0.00 34.95 34.53 1kkd s ARG 24 CO 0.00 -0.98 0.60 1.55 -1.13 0.00 0.00 175.30 175.34 1kkd n VAL 25 N -0.53 -3.31 0.00 4.99 3.14 -1.26 0.20 118.33 121.56 1kkd n VAL 25 Ca -0.06 0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 1kkd n VAL 25 Cb 0.60 -2.97 0.00 0.00 -1.06 0.00 0.00 33.84 30.41 1kkd n VAL 25 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1kkd n LYS 26 N -1.76 0.00 -2.71 1.45 4.01 -1.26 -1.59 118.16 116.31 1kkd n LYS 26 Ca -0.24 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.49 1kkd n LYS 26 Cb 0.67 0.00 0.09 0.00 -0.51 0.00 0.00 35.03 35.29 1kkd n LYS 26 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1kkd n ASN 27 N 1.92 -1.99 0.00 4.39 3.02 -0.84 -4.91 115.26 116.86 1kkd n ASN 27 Ca 0.00 -2.94 0.00 0.00 -0.03 0.00 0.00 54.58 51.61 1kkd n ASN 27 Cb 0.00 1.48 0.00 0.00 -0.61 0.00 0.00 39.78 40.65 1kkd n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kkd n ALA 28 N -0.02 0.00 -1.68 5.41 0.00 0.53 -2.92 120.51 121.84 1kkd n ALA 28 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1kkd n ALA 28 Cb 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.19 1kkd n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kkd n ALA 29 N 0.72 0.00 -1.49 0.00 0.00 -0.62 -4.91 120.51 114.21 1kkd n ALA 29 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1kkd n ALA 29 Cb 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.98 1kkd n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kkd n ALA 30 N -1.47 0.55 -1.48 0.00 0.00 -1.15 0.12 120.51 117.09 1kkd n ALA 30 Ca 0.00 -0.43 -0.14 0.00 0.00 0.00 0.00 53.44 52.86 1kkd n ALA 30 Cb 0.37 -2.60 -0.06 0.00 0.00 0.00 0.00 19.45 17.16 1kkd n ALA 30 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1kkd n ASN 31 N 11.98 -3.81 -1.63 0.00 3.02 -1.26 -0.96 115.26 122.59 1kkd n ASN 31 Ca 0.53 0.34 -0.05 0.00 -0.03 0.00 0.00 54.58 55.37 1kkd n ASN 31 Cb 0.22 -3.50 -0.02 0.00 -0.61 0.00 0.00 39.78 35.87 1kkd n ASN 31 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1kkd n VAL 32 N -2.05 -0.09 0.00 2.41 0.24 0.33 0.19 118.33 119.35 1kkd n VAL 32 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 1kkd n VAL 32 Cb 0.48 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 1kkd n VAL 32 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1kkd n LEU 33 N -1.81 0.00 -0.18 1.34 7.99 -0.14 -4.12 117.00 120.08 1kkd n LEU 33 Ca -0.06 0.00 -0.07 0.00 -0.01 0.00 0.00 56.01 55.87 1kkd n LEU 33 Cb 0.31 0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.64 1kkd n LEU 33 CO 0.08 0.00 1.03 -0.09 -1.51 0.00 0.00 177.39 176.89 1kkd h ARG 34 N 0.00 0.73 -5.06 3.23 9.65 -1.82 -3.48 114.38 117.64 1kkd h ARG 34 Ca 0.00 -0.09 -0.10 0.00 -1.10 0.00 0.00 59.98 58.69 1kkd h ARG 34 Cb 0.00 -0.14 0.08 0.00 -1.39 0.00 0.00 29.97 28.52 1kkd h ARG 34 CO 0.00 0.57 -0.35 0.39 2.80 0.00 0.00 179.97 183.38 1kkd n GLU 35 N -4.63 -1.51 0.04 0.20 1.02 0.49 -4.95 120.64 111.30 1kkd n GLU 35 Ca 0.02 1.06 0.05 0.00 -0.02 0.00 0.00 57.16 58.28 1kkd n GLU 35 Cb 0.09 -5.18 -0.08 0.00 -0.02 0.00 0.00 31.44 26.25 1kkd n GLU 35 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1kkd n THR 36 N -2.30 0.79 1.18 2.62 -2.24 -1.26 -3.46 114.28 109.62 1kkd n THR 36 Ca -0.03 -0.62 0.12 0.00 -2.27 0.00 0.00 64.05 61.25 1kkd n THR 36 Cb 0.55 -0.45 0.27 0.00 -2.10 0.00 0.00 70.33 68.61 1kkd n THR 36 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1kkd n TRP 37 N -2.69 0.00 -0.01 4.78 7.02 -1.26 -3.25 117.44 122.03 1kkd n TRP 37 Ca -0.07 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.39 1kkd n TRP 37 Cb 0.72 -0.08 -0.12 0.00 -2.42 0.00 0.00 31.31 29.41 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 -0.44 0.57 0.07 -0.99 7.99 -1.24 -4.02 117.00 118.93 1kkd n LEU 38 Ca 0.12 0.25 -0.01 0.00 -0.01 0.00 0.00 56.01 56.35 1kkd n LEU 38 Cb 0.38 0.17 -0.06 0.00 -0.11 0.00 0.00 43.42 43.81 1kkd n LEU 38 CO 0.26 0.23 0.05 0.16 -1.51 0.00 0.00 177.39 176.59 1kkd h ILE 39 N 0.00 0.92 -1.05 -0.08 3.07 -1.63 -3.50 117.51 115.24 1kkd h ILE 39 Ca -0.24 -2.45 0.06 0.00 1.55 0.00 0.00 64.86 63.78 1kkd h ILE 39 Cb 1.71 2.38 -0.01 0.00 -0.27 0.00 0.00 36.82 40.63 1kkd h ILE 39 CO 0.04 0.52 -0.08 -1.22 -1.05 0.00 0.00 178.15 176.37 1kkd n TYR 40 N -3.12 -1.87 -4.01 0.16 4.01 -1.20 -4.97 117.16 106.16 1kkd n TYR 40 Ca -0.04 0.27 -0.01 0.00 -0.16 0.00 0.00 57.90 57.96 1kkd n TYR 40 Cb 0.85 -0.41 -0.00 0.00 -0.31 0.00 0.00 39.34 39.47 1kkd n TYR 40 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1kkd n LYS 41 N -1.29 0.41 -3.40 -0.72 4.01 -1.26 -5.03 118.16 110.88 1kkd n LYS 41 Ca 0.00 -0.12 -0.20 0.00 -0.51 0.00 0.00 58.31 57.48 1kkd n LYS 41 Cb 0.10 0.08 -0.09 0.00 -0.51 0.00 0.00 35.03 34.61 1kkd n LYS 41 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1kkd s ASN 42 N -1.08 1.78 0.00 4.39 0.01 -1.26 -5.12 114.94 113.65 1kkd s ASN 42 Ca 0.01 -1.49 0.00 0.00 -0.71 0.00 0.00 52.86 50.67 1kkd s ASN 42 Cb 0.00 0.31 0.00 0.00 0.41 0.00 0.00 41.25 41.97 1kkd s ASN 42 CO 0.01 -0.31 0.00 0.41 -1.51 0.00 0.00 177.10 175.70 1kkd n THR 43 N 4.51 0.00 -2.82 1.60 -1.04 -1.26 -3.66 114.28 111.62 1kkd n THR 43 Ca 0.07 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.65 1kkd n THR 43 Cb 0.44 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.91 1kkd n THR 43 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1kkd s LYS 44 N 0.00 3.13 -0.95 -2.82 1.02 -1.26 -4.91 119.74 113.95 1kkd s LYS 44 Ca 0.00 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.25 1kkd s LYS 44 Cb 0.00 -4.22 0.32 0.00 -0.52 0.00 0.00 37.83 33.42 1kkd s LYS 44 CO 0.00 -1.85 1.67 1.47 -0.92 0.00 0.00 175.35 175.72 1kkd n LEU 45 N 7.92 6.86 0.00 3.17 -0.00 -1.24 -4.61 117.00 129.10 1kkd n LEU 45 Ca -0.03 -5.44 0.00 0.00 -0.00 0.00 0.00 56.01 50.54 1kkd n LEU 45 Cb 0.46 -1.06 0.00 0.00 -0.00 0.00 0.00 43.42 42.82 1kkd n LEU 45 CO 0.65 2.10 0.00 0.52 -0.00 0.00 0.00 177.39 180.66 1kkd n VAL 46 N -0.09 0.00 -1.83 1.47 0.31 -1.26 -5.10 118.33 111.84 1kkd n VAL 46 Ca 0.44 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.76 1kkd n VAL 46 Cb 0.28 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 1kkd n VAL 46 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1kkd n LYS 47 N -1.70 -0.32 -1.63 5.55 4.01 -1.26 -4.89 118.16 117.91 1kkd n LYS 47 Ca 0.00 0.59 -0.50 0.00 -0.51 0.00 0.00 58.31 57.89 1kkd n LYS 47 Cb 0.00 -2.38 -0.05 0.00 -0.51 0.00 0.00 35.03 32.08 1kkd n LYS 47 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1kkd n LYS 48 N -1.32 1.78 -0.46 1.97 -0.00 -1.26 -4.91 118.16 113.96 1kkd n LYS 48 Ca -0.00 0.62 -0.25 0.00 -0.00 0.00 0.00 58.31 58.67 1kkd n LYS 48 Cb 0.51 -2.56 0.21 0.00 -0.00 0.00 0.00 35.03 33.18 1kkd n LYS 48 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1kkd n ILE 49 N 5.67 0.00 0.00 0.58 -6.64 -1.26 -4.99 119.36 112.72 1kkd n ILE 49 Ca 0.28 -0.13 0.00 0.00 -1.77 0.00 0.00 62.75 61.13 1kkd n ILE 49 Cb 0.27 -0.71 0.00 0.00 -1.44 0.00 0.00 39.64 37.76 1kkd n ILE 49 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 1kkd n ASP 50 N -3.03 0.00 0.00 7.28 8.00 -1.26 -5.05 116.55 122.48 1kkd n ASP 50 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1kkd n ASP 50 Cb 0.49 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1kkd n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kkd n HIS 51 N -2.23 -0.12 -1.27 1.24 1.44 -1.26 -5.16 115.22 107.86 1kkd n HIS 51 Ca 0.00 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.86 1kkd n HIS 51 Cb 0.00 0.02 -0.05 0.00 0.12 0.00 0.00 29.99 30.08 1kkd n HIS 51 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1kkd n ALA 52 N -1.05 -3.47 -2.51 1.59 0.00 -1.26 -4.98 120.51 108.83 1kkd n ALA 52 Ca 0.00 0.55 -0.04 0.00 0.00 0.00 0.00 53.44 53.95 1kkd n ALA 52 Cb 0.00 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 1kkd n ALA 52 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1kkd n LYS 53 N -3.84 -4.78 0.00 0.00 5.02 -1.26 -5.08 118.16 108.22 1kkd n LYS 53 Ca -0.03 3.56 0.00 0.00 -2.02 0.00 0.00 58.31 59.82 1kkd n LYS 53 Cb 0.65 -4.96 0.00 0.00 -0.02 0.00 0.00 35.03 30.70 1kkd n LYS 53 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1kkd n VAL 54 N 1.74 0.00 -3.07 -0.18 0.31 -1.26 -5.09 118.33 110.77 1kkd n VAL 54 Ca -0.30 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 63.84 1kkd n VAL 54 Cb 0.47 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.37 1kkd n VAL 54 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1kkd n ARG 55 N 0.00 0.80 -3.18 5.55 0.00 -1.26 -4.98 116.66 113.59 1kkd n ARG 55 Ca 0.00 -2.88 -0.21 0.00 -0.00 0.00 0.00 57.85 54.75 1kkd n ARG 55 Cb 0.00 -1.35 -0.05 0.00 0.00 0.00 0.00 32.46 31.06 1kkd n ARG 55 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1kkd n LYS 56 N 1.14 1.23 -2.84 -0.14 2.85 -1.26 -4.97 118.16 114.17 1kkd n LYS 56 Ca 0.19 -3.57 -0.39 0.00 -1.05 0.00 0.00 58.31 53.49 1kkd n LYS 56 Cb 0.59 -1.64 0.00 0.00 -0.65 0.00 0.00 35.03 33.33 1kkd n LYS 56 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1kkd n HIS 57 N 0.63 2.84 -1.07 5.58 8.25 -1.26 -5.02 115.22 125.16 1kkd n HIS 57 Ca 0.25 -2.87 0.13 0.00 -0.26 0.00 0.00 57.72 54.97 1kkd n HIS 57 Cb 0.57 -1.07 -0.04 0.00 1.12 0.00 0.00 29.99 30.57 1kkd n HIS 57 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1kkd n GLN 58 N 0.38 -2.04 -3.07 -0.41 6.02 -1.26 -4.92 117.38 112.08 1kkd n GLN 58 Ca 0.38 1.46 -0.14 0.00 -0.01 0.00 0.00 57.00 58.68 1kkd n GLN 58 Cb 0.31 -2.56 0.01 0.00 1.02 0.00 0.00 30.24 29.02 1kkd n GLN 58 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1kkd n ARG 59 N -3.33 -2.13 -0.34 -1.09 1.74 -1.26 -4.95 116.66 105.29 1kkd n ARG 59 Ca -0.01 1.84 0.00 0.00 -0.77 0.00 0.00 57.85 58.91 1kkd n ARG 59 Cb 0.62 -3.79 0.00 0.00 -1.02 0.00 0.00 32.46 28.27 1kkd n ARG 59 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1kkd n LYS 60 N 0.21 0.00 -2.88 5.56 -0.00 -1.26 -4.92 118.16 114.87 1kkd n LYS 60 Ca 0.02 -0.82 -0.13 0.00 -0.00 0.00 0.00 58.31 57.38 1kkd n LYS 60 Cb 0.44 -0.49 0.02 0.00 -0.00 0.00 0.00 35.03 35.00 1kkd n LYS 60 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1kkd n PHE 61 N 0.00 -2.33 -4.02 5.58 3.72 -1.26 -5.13 117.46 114.02 1kkd n PHE 61 Ca 0.00 -2.38 -0.08 0.00 -0.05 0.00 0.00 57.45 54.94 1kkd n PHE 61 Cb 0.63 1.00 -0.10 0.00 -0.94 0.00 0.00 39.48 40.07 1kkd n PHE 61 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 1kkd s LEU 62 N -1.22 2.27 -0.02 4.37 2.34 -1.26 -5.16 118.68 120.00 1kkd s LEU 62 Ca 0.31 -0.75 0.02 0.00 0.06 0.00 0.00 54.13 53.77 1kkd s LEU 62 Cb 0.24 0.25 0.01 0.00 -0.56 0.00 0.00 46.19 46.12 1kkd s LEU 62 CO -0.17 -0.49 -0.07 -1.10 -1.06 0.00 0.00 176.35 173.47 1kkd s GLN 63 N -2.89 0.76 -0.04 1.48 -0.21 -1.26 -5.00 119.66 112.50 1kkd s GLN 63 Ca -0.03 -0.22 0.07 0.00 0.02 0.00 0.00 55.36 55.21 1kkd s GLN 63 Cb 0.00 -0.73 0.26 0.00 1.00 0.00 0.00 33.01 33.54 1kkd s GLN 63 CO -0.06 0.06 1.10 0.00 -2.12 0.00 0.00 175.29 174.27 1kkd n ALA 64 N 3.38 2.69 -2.00 6.09 0.00 -1.26 -4.62 120.51 124.79 1kkd n ALA 64 Ca -0.19 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1kkd n ALA 64 Cb 0.54 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1kkd n ALA 64 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1kkd n ILE 65 N 0.26 0.00 -2.97 0.00 5.41 -1.26 -5.01 119.36 115.79 1kkd n ILE 65 Ca 0.09 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.76 1kkd n ILE 65 Cb 0.38 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 39.35 1kkd n ILE 65 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1kkd n HIS 66 N 0.00 -2.29 -2.81 1.39 -0.00 -1.26 -4.98 115.22 105.26 1kkd n HIS 66 Ca 0.00 0.83 -0.11 0.00 0.46 0.00 0.00 57.72 58.89 1kkd n HIS 66 Cb 0.00 -3.88 0.02 0.00 -0.12 0.00 0.00 29.99 26.01 1kkd n HIS 66 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1kkd n GLN 67 N -2.58 1.09 -2.23 1.57 10.64 -1.26 -5.11 117.38 119.50 1kkd n GLN 67 Ca -0.04 -3.21 -0.25 0.00 -1.83 0.00 0.00 57.00 51.66 1kkd n GLN 67 Cb 0.57 -1.32 0.15 0.00 -0.86 0.00 0.00 30.24 28.78 1kkd n GLN 67 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 1kkd n LEU 68 N 0.02 0.00 -1.40 2.61 -0.00 -1.26 -4.96 117.00 112.01 1kkd n LEU 68 Ca 0.13 -1.78 0.17 0.00 -0.00 0.00 0.00 56.01 54.52 1kkd n LEU 68 Cb 0.77 -0.80 -0.09 0.00 -0.00 0.00 0.00 43.42 43.31 1kkd n LEU 68 CO 0.24 -1.18 -0.59 0.54 -0.00 0.00 0.00 177.39 176.40 1kkd n ARG 69 N -3.24 -3.13 -3.04 1.47 1.74 -1.26 -4.97 116.66 104.23 1kkd n ARG 69 Ca 0.16 2.54 0.00 0.00 -0.77 0.00 0.00 57.85 59.79 1kkd n ARG 69 Cb 0.57 -3.71 -0.00 0.00 -1.02 0.00 0.00 32.46 28.30 1kkd n ARG 69 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1kkd s SER 70 N -7.14 -1.27 0.00 0.55 0.01 -1.26 -5.07 113.70 99.52 1kkd s SER 70 Ca 0.00 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.45 1kkd s SER 70 Cb 0.00 1.63 0.00 0.00 0.21 0.00 0.00 66.02 67.86 1kkd s SER 70 CO 0.00 -0.12 0.50 0.52 0.41 0.00 0.00 173.24 174.55 1kkd n VAL 71 N 3.99 0.00 0.00 3.43 0.31 -1.26 -4.66 118.33 120.14 1kkd n VAL 71 Ca 0.11 0.99 0.00 0.00 -0.01 0.00 0.00 64.34 65.43 1kkd n VAL 71 Cb 0.58 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 1kkd n VAL 71 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1kkd n LYS 72 N -1.04 0.00 -3.23 5.55 4.81 -1.26 -4.84 118.16 118.14 1kkd n LYS 72 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.20 1kkd n LYS 72 Cb 0.00 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.07 1kkd n LYS 72 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1kkd n MET 73 N 12.40 -1.26 -3.30 1.64 2.81 -1.26 -4.87 117.12 123.29 1kkd n MET 73 Ca 0.00 1.11 -0.44 0.00 -1.81 0.00 0.00 57.70 56.57 1kkd n MET 73 Cb 0.00 -1.53 -0.08 0.00 -0.71 0.00 0.00 33.22 30.91 1kkd n MET 73 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1kkd s GLU 74 N -1.82 3.07 0.48 0.03 2.12 -1.26 -5.06 118.70 116.27 1kkd s GLU 74 Ca 0.24 -0.94 0.06 0.00 0.36 0.00 0.00 54.97 54.68 1kkd s GLU 74 Cb -0.02 -4.04 0.03 0.00 0.26 0.00 0.00 34.13 30.35 1kkd s GLU 74 CO 0.54 -0.99 0.66 -0.65 -0.54 0.00 0.00 175.26 174.28 1kkd s GLN 75 N 2.14 2.67 0.38 4.30 -1.52 -1.26 -5.00 119.66 121.37 1kkd s GLN 75 Ca 0.11 -1.14 0.00 0.00 -1.95 0.00 0.00 55.36 52.38 1kkd s GLN 75 Cb -0.19 -2.66 0.00 0.00 -0.22 0.00 0.00 33.01 29.94 1kkd s GLN 75 CO 0.11 -0.48 0.00 0.54 -0.25 0.00 0.00 175.29 175.21 1kkd n ARG 76 N -2.05 -2.72 -1.17 2.91 1.74 -1.26 -4.98 116.66 109.13 1kkd n ARG 76 Ca 0.09 1.94 0.16 0.00 -0.77 0.00 0.00 57.85 59.27 1kkd n ARG 76 Cb 0.59 -3.31 -0.04 0.00 -1.02 0.00 0.00 32.46 28.68 1kkd n ARG 76 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1kkd n LYS 77 N -3.96 -2.41 -0.97 5.56 4.81 -1.26 -4.80 118.16 115.13 1kkd n LYS 77 Ca -0.02 1.66 -0.32 0.00 -0.87 0.00 0.00 58.31 58.76 1kkd n LYS 77 Cb 0.66 -2.92 0.02 0.00 0.02 0.00 0.00 35.03 32.81 1kkd n LYS 77 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1kkd n LEU 78 N -3.73 -4.26 0.00 3.14 4.32 -1.26 -4.83 117.00 110.37 1kkd n LEU 78 Ca -0.00 0.35 0.00 0.00 -0.02 0.00 0.00 56.01 56.34 1kkd n LEU 78 Cb 0.54 -0.69 0.00 0.00 -1.62 0.00 0.00 43.42 41.64 1kkd n LEU 78 CO 0.01 -4.72 0.00 -3.20 -1.22 0.00 0.00 177.39 168.26 1kkd n ASN 79 N 2.62 0.00 -2.62 -1.43 2.85 -1.26 -5.03 115.26 110.39 1kkd n ASN 79 Ca 0.02 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.44 1kkd n ASN 79 Cb 0.45 0.01 -0.04 0.00 1.24 0.00 0.00 39.78 41.43 1kkd n ASN 79 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1kkd n ASP 80 N -0.95 -1.13 -0.08 1.20 8.00 -1.26 -5.00 116.55 117.33 1kkd n ASP 80 Ca 0.00 1.36 -0.10 0.00 0.71 0.00 0.00 54.79 56.76 1kkd n ASP 80 Cb 0.00 -5.23 -0.04 0.00 -0.02 0.00 0.00 41.12 35.83 1kkd n ASP 80 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1kkd n GLN 81 N 1.65 0.50 -2.74 -1.24 7.27 -1.26 -4.90 117.38 116.66 1kkd n GLN 81 Ca -0.39 0.44 -0.08 0.00 0.07 0.00 0.00 57.00 57.05 1kkd n GLN 81 Cb 0.60 -1.63 0.06 0.00 2.41 0.00 0.00 30.24 31.68 1kkd n GLN 81 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1kkd n ALA 82 N -3.84 -1.36 -3.09 1.69 0.00 -1.26 -5.09 120.51 107.56 1kkd n ALA 82 Ca -0.16 -1.36 -0.45 0.00 0.00 0.00 0.00 53.44 51.47 1kkd n ALA 82 Cb 0.43 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 1kkd n ALA 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1kkd s ASN 83 N -1.52 6.19 -0.47 0.00 2.20 -1.26 -4.65 114.94 115.42 1kkd s ASN 83 Ca 0.29 -1.42 -0.29 0.00 -0.94 0.00 0.00 52.86 50.51 1kkd s ASN 83 Cb 0.24 -2.29 0.04 0.00 -2.00 0.00 0.00 41.25 37.25 1kkd s ASN 83 CO -0.19 -1.07 0.59 0.35 -2.94 0.00 0.00 177.10 173.84 1kkd n THR 84 N 5.52 -3.33 0.43 0.54 -2.24 -1.26 -4.75 114.28 109.20 1kkd n THR 84 Ca -0.10 0.05 0.07 0.00 -2.27 0.00 0.00 64.05 61.80 1kkd n THR 84 Cb 0.42 -3.03 0.31 0.00 -2.10 0.00 0.00 70.33 65.94 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 -0.61 0.11 0.00 3.22 -0.00 -1.26 -4.63 117.00 113.82 1kkd n LEU 85 Ca -0.12 0.53 0.00 0.00 -0.00 0.00 0.00 56.01 56.42 1kkd n LEU 85 Cb 0.62 -0.52 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 1kkd n LEU 85 CO 0.52 -0.33 0.00 0.55 -0.00 0.00 0.00 177.39 178.13 1kkd n VAL 86 N -1.62 0.00 -3.87 1.47 3.14 -1.26 -5.07 118.33 111.11 1kkd n VAL 86 Ca 0.03 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.33 1kkd n VAL 86 Cb 0.16 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.93 1kkd n VAL 86 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1kkd s ASP 87 N 1.06 -0.18 -0.22 6.55 2.15 -1.26 -4.90 116.67 119.87 1kkd s ASP 87 Ca 0.00 -0.75 -0.03 0.00 0.43 0.00 0.00 52.55 52.20 1kkd s ASP 87 Cb 0.00 0.73 0.03 0.00 -0.30 0.00 0.00 42.92 43.38 1kkd s ASP 87 CO 0.00 -1.38 0.07 0.00 -0.17 0.00 0.00 175.17 173.69 1kkd n LEU 88 N -0.47 -0.10 -3.13 -1.34 -0.00 -1.26 -1.15 117.00 109.56 1kkd n LEU 88 Ca -0.04 0.24 -0.20 0.00 -0.00 0.00 0.00 56.01 56.00 1kkd n LEU 88 Cb 0.60 -0.96 0.02 0.00 -0.00 0.00 0.00 43.42 43.08 1kkd n LEU 88 CO 0.18 0.01 -0.13 0.00 -0.00 0.00 0.00 177.39 177.46 1kkd n ALA 89 N -2.41 -2.70 -1.28 1.47 0.00 -1.26 -4.69 120.51 109.64 1kkd n ALA 89 Ca 0.01 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.23 1kkd n ALA 89 Cb 0.44 -2.95 0.00 0.00 0.00 0.00 0.00 19.45 16.94 1kkd n ALA 89 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1kkd n LYS 90 N -0.16 -3.55 -2.51 0.00 5.02 -0.30 -4.80 118.16 111.86 1kkd n LYS 90 Ca 0.03 2.57 -0.39 0.00 -2.02 0.00 0.00 58.31 58.49 1kkd n LYS 90 Cb 0.54 -2.81 0.02 0.00 -0.02 0.00 0.00 35.03 32.75 1kkd n LYS 90 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1kkd n THR 91 N 0.26 5.29 -0.62 -0.18 5.66 -1.26 -4.88 114.28 118.54 1kkd n THR 91 Ca 0.00 -5.59 0.00 0.00 -3.05 0.00 0.00 64.05 55.41 1kkd n THR 91 Cb 0.00 -1.47 0.00 0.00 -1.55 0.00 0.00 70.33 67.31 1kkd n THR 91 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02