#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 0.59 -0.15 -0.14 2.20 -1.26 -5.15 119.74 115.82 1kkd s LYS 2 Ca 0.00 0.71 -0.07 0.00 -0.36 0.00 0.00 55.97 56.25 1kkd s LYS 2 Cb 0.00 0.28 0.06 0.00 -1.51 0.00 0.00 37.83 36.66 1kkd s LYS 2 CO 0.00 -0.07 0.35 -1.17 -0.36 0.00 0.00 175.35 174.09 1kkd s LEU 3 N 0.31 -0.13 0.10 5.43 0.20 -1.26 -5.05 118.68 118.28 1kkd s LEU 3 Ca -0.00 0.77 0.00 0.00 0.69 0.00 0.00 54.13 55.59 1kkd s LEU 3 Cb -0.04 1.08 0.00 0.00 -0.43 0.00 0.00 46.19 46.81 1kkd s LEU 3 CO 0.00 -0.20 0.00 -0.62 -0.29 0.00 0.00 176.35 175.24 1kkd n GLU 4 N 4.69 0.00 -1.35 1.98 -0.58 -1.26 -5.00 120.64 119.12 1kkd n GLU 4 Ca -0.18 0.00 -0.53 0.00 -0.42 0.00 0.00 57.16 56.04 1kkd n GLU 4 Cb 0.52 -0.43 -0.13 0.00 -0.57 0.00 0.00 31.44 30.84 1kkd n GLU 4 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1kkd n LEU 5 N -3.35 0.65 -4.69 -4.62 4.32 -1.26 -4.79 117.00 103.26 1kkd n LEU 5 Ca 0.00 0.48 -0.42 0.00 -0.02 0.00 0.00 56.01 56.05 1kkd n LEU 5 Cb 0.11 -0.93 -0.03 0.00 -1.62 0.00 0.00 43.42 40.96 1kkd n LEU 5 CO 0.00 -0.76 1.10 0.28 -1.22 0.00 0.00 177.39 176.79 1kkd s THR 6 N 7.18 3.81 0.01 -5.08 -1.32 -1.26 -4.94 115.64 114.04 1kkd s THR 6 Ca 1.25 1.17 -0.30 0.00 -1.21 0.00 0.00 61.69 62.60 1kkd s THR 6 Cb -1.38 -3.75 -0.08 0.00 -1.51 0.00 0.00 72.50 65.79 1kkd s THR 6 CO 0.59 -0.01 1.80 -1.59 -2.21 0.00 0.00 174.62 173.20 1kkd s LYS 7 N 2.49 4.16 1.03 7.08 0.00 -1.26 -4.57 119.74 128.67 1kkd s LYS 7 Ca 0.63 2.42 0.00 0.00 0.00 0.00 0.00 55.97 59.02 1kkd s LYS 7 Cb -0.30 -4.00 0.00 0.00 0.00 0.00 0.00 37.83 33.53 1kkd s LYS 7 CO 0.25 -0.88 0.00 0.00 0.00 0.00 0.00 175.35 174.72 1kkd n ALA 8 N 7.06 0.00 -1.01 0.59 0.00 -1.26 -4.67 120.51 121.22 1kkd n ALA 8 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.62 1kkd n ALA 8 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 0.00 -0.47 0.00 0.00 -0.58 -1.26 -4.77 120.64 113.55 1kkd n GLU 9 Ca 0.00 0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 1kkd n GLU 9 Cb 0.00 -3.56 0.00 0.00 -0.57 0.00 0.00 31.44 27.31 1kkd n GLU 9 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1kkd n LYS 10 N -2.11 0.00 -0.74 3.49 2.85 -1.26 -5.15 118.16 115.25 1kkd n LYS 10 Ca -0.00 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.35 1kkd n LYS 10 Cb 0.12 -0.70 -0.03 0.00 -0.65 0.00 0.00 35.03 33.77 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 -2.60 -1.89 -2.24 5.58 8.25 -1.26 -4.93 115.22 116.13 1kkd n HIS 11 Ca 0.00 0.98 -0.07 0.00 -0.26 0.00 0.00 57.72 58.37 1kkd n HIS 11 Cb 0.42 -1.72 0.01 0.00 1.12 0.00 0.00 29.99 29.82 1kkd n HIS 11 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1kkd n VAL 12 N -3.15 -1.52 0.21 1.59 0.24 -1.26 -4.87 118.33 109.57 1kkd n VAL 12 Ca -0.01 0.23 -0.09 0.00 -2.04 0.00 0.00 64.34 62.44 1kkd n VAL 12 Cb 0.34 -1.90 -0.04 0.00 -1.47 0.00 0.00 33.84 30.77 1kkd n VAL 12 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1kkd h HIS 13 N 2.22 -0.52 -1.23 6.34 2.76 -2.06 -3.38 115.15 119.28 1kkd h HIS 13 Ca -0.10 -0.01 -0.39 0.00 -2.20 0.00 0.00 60.37 57.67 1kkd h HIS 13 Cb 0.68 0.17 -0.05 0.00 1.55 0.00 0.00 27.41 29.76 1kkd h HIS 13 CO 0.00 -0.32 1.01 -0.80 -1.30 0.00 0.00 177.93 176.52 1kkd s ASN 14 N -3.91 5.33 -0.44 3.26 -0.87 -1.26 -4.92 114.94 112.13 1kkd s ASN 14 Ca -0.08 -0.40 -0.16 0.00 -1.57 0.00 0.00 52.86 50.65 1kkd s ASN 14 Cb 0.01 -2.55 0.04 0.00 -0.02 0.00 0.00 41.25 38.72 1kkd s ASN 14 CO 0.24 -2.49 0.39 0.72 -2.57 0.00 0.00 177.10 173.39 1kkd s PHE 15 N 9.18 3.21 -0.35 2.20 -0.71 -1.26 -4.70 117.98 125.54 1kkd s PHE 15 Ca 0.66 -0.61 -0.30 0.00 -1.04 0.00 0.00 56.93 55.64 1kkd s PHE 15 Cb -0.08 -2.91 0.04 0.00 -1.21 0.00 0.00 43.02 38.86 1kkd s PHE 15 CO 0.06 -0.71 0.51 -1.33 -1.34 0.00 0.00 175.22 172.41 1kkd n MET 16 N 5.38 -1.59 -0.30 1.99 2.81 -1.26 -4.80 117.12 119.36 1kkd n MET 16 Ca -0.10 1.31 0.08 0.00 -1.81 0.00 0.00 57.70 57.18 1kkd n MET 16 Cb 0.46 -1.93 0.23 0.00 -0.71 0.00 0.00 33.22 31.27 1kkd n MET 16 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1kkd h MET 17 N 2.44 0.62 -6.34 0.03 0.00 -1.99 -3.47 114.93 106.23 1kkd h MET 17 Ca -0.42 -0.04 -0.02 0.00 0.00 0.00 0.00 59.70 59.22 1kkd h MET 17 Cb 1.29 -0.14 0.00 0.00 0.00 0.00 0.00 31.60 32.75 1kkd h MET 17 CO 0.18 0.41 -1.01 -0.25 0.00 0.00 0.00 176.91 176.24 1kkd n ASP 18 N -4.86 -6.55 0.00 1.22 9.92 -1.26 -4.86 116.55 110.16 1kkd n ASP 18 Ca 0.18 0.40 0.00 0.00 -0.53 0.00 0.00 54.79 54.84 1kkd n ASP 18 Cb 0.45 -1.68 0.00 0.00 -0.64 0.00 0.00 41.12 39.24 1kkd n ASP 18 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1kkd n THR 19 N 1.20 0.00 0.50 -3.53 5.66 -1.26 -4.93 114.28 111.92 1kkd n THR 19 Ca -0.00 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.79 1kkd n THR 19 Cb 0.49 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 1kkd n THR 19 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 1kkd h GLN 20 N 0.00 -1.23 -2.50 1.09 4.15 -2.02 -3.37 115.11 111.23 1kkd h GLN 20 Ca 0.00 0.08 -0.60 0.00 0.77 0.00 0.00 58.65 58.91 1kkd h GLN 20 Cb 0.00 0.28 -0.40 0.00 0.21 0.00 0.00 27.48 27.57 1kkd h GLN 20 CO 0.00 -0.82 -0.84 1.28 -1.93 0.00 0.00 178.83 176.52 1kkd n LEU 21 N -5.64 1.05 0.50 -2.39 4.77 -1.26 -4.97 117.00 109.06 1kkd n LEU 21 Ca -0.16 -4.77 -0.20 0.00 -0.03 0.00 0.00 56.01 50.85 1kkd n LEU 21 Cb 0.51 0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.57 1kkd n LEU 21 CO 0.40 1.88 0.51 0.71 -1.33 0.00 0.00 177.39 179.56 1kkd h THR 22 N 4.03 0.00 -3.20 -5.08 1.35 -1.92 -3.49 112.91 104.60 1kkd h THR 22 Ca 0.20 -0.05 0.31 0.00 -0.55 0.00 0.00 66.41 66.32 1kkd h THR 22 Cb 0.83 0.00 -0.16 0.00 -1.73 0.00 0.00 68.15 67.09 1kkd h THR 22 CO 0.53 0.00 -1.07 1.17 -0.25 0.00 0.00 175.52 175.90 1kkd n LYS 23 N -5.55 -2.89 -3.75 4.72 3.00 -1.26 -5.00 118.16 107.44 1kkd n LYS 23 Ca -0.16 2.34 -0.13 0.00 -0.00 0.00 0.00 58.31 60.36 1kkd n LYS 23 Cb 0.50 -3.46 -0.10 0.00 0.00 0.00 0.00 35.03 31.97 1kkd n LYS 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1kkd s ARG 24 N -4.28 0.49 -0.90 1.64 0.52 -1.26 -4.87 118.95 110.29 1kkd s ARG 24 Ca 0.00 0.37 -0.11 0.00 -0.52 0.00 0.00 55.73 55.47 1kkd s ARG 24 Cb 0.00 0.23 0.11 0.00 0.52 0.00 0.00 34.95 35.82 1kkd s ARG 24 CO 0.00 -0.08 0.29 1.55 0.02 0.00 0.00 175.30 177.07 1kkd n VAL 25 N 2.53 0.00 -4.27 3.52 3.14 -1.26 0.19 118.33 122.19 1kkd n VAL 25 Ca -0.15 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 60.88 1kkd n VAL 25 Cb 0.57 -0.24 -0.05 0.00 -1.06 0.00 0.00 33.84 33.06 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 -3.22 -2.33 0.00 1.45 4.76 -1.26 0.62 118.16 118.18 1kkd n LYS 26 Ca 0.06 0.29 0.00 0.00 -2.87 0.00 0.00 58.31 55.78 1kkd n LYS 26 Cb 0.47 -4.71 0.00 0.00 -1.84 0.00 0.00 35.03 28.95 1kkd n LYS 26 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1kkd n ASN 27 N -2.70 0.00 0.00 4.39 5.15 0.51 -4.31 115.26 118.30 1kkd n ASN 27 Ca -0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 1kkd n ASN 27 Cb 0.54 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 1kkd n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kkd n ALA 28 N 0.00 0.00 -2.71 5.20 0.00 0.20 -3.72 120.51 119.49 1kkd n ALA 28 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1kkd n ALA 28 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.48 -0.67 -1.49 0.00 0.00 -1.26 -4.79 120.51 111.83 1kkd n ALA 29 Ca 0.00 0.20 -0.42 0.00 0.00 0.00 0.00 53.44 53.21 1kkd n ALA 29 Cb 0.00 -2.77 -0.11 0.00 0.00 0.00 0.00 19.45 16.56 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 -2.82 0.48 -1.73 0.00 0.00 -1.24 0.14 120.51 115.33 1kkd n ALA 30 Ca -0.11 -0.38 -0.11 0.00 0.00 0.00 0.00 53.44 52.84 1kkd n ALA 30 Cb 0.60 -2.51 -0.03 0.00 0.00 0.00 0.00 19.45 17.51 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 11.49 -3.23 -1.46 0.00 3.02 -1.26 -0.71 115.26 123.11 1kkd n ASN 31 Ca 0.56 0.26 -0.02 0.00 -0.03 0.00 0.00 54.58 55.34 1kkd n ASN 31 Cb 0.17 -2.96 -0.01 0.00 -0.61 0.00 0.00 39.78 36.37 1kkd n ASN 31 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1kkd n VAL 32 N -2.31 -0.03 0.00 2.41 3.14 0.36 0.27 118.33 122.17 1kkd n VAL 32 Ca -0.12 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 1kkd n VAL 32 Cb 0.45 -0.27 0.00 0.00 -1.06 0.00 0.00 33.84 32.97 1kkd n VAL 32 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1kkd n LEU 33 N -1.54 0.00 0.15 6.55 0.00 0.11 -3.67 117.00 118.60 1kkd n LEU 33 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 56.01 56.11 1kkd n LEU 33 Cb 0.20 0.00 0.48 0.00 0.00 0.00 0.00 43.42 44.10 1kkd n LEU 33 CO 0.04 0.00 0.88 -0.09 0.00 0.00 0.00 177.39 178.22 1kkd h ARG 34 N 0.00 0.00 -5.88 1.96 9.65 -1.84 -3.47 114.38 114.80 1kkd h ARG 34 Ca 0.00 0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 58.62 1kkd h ARG 34 Cb 0.00 0.00 0.06 0.00 -1.39 0.00 0.00 29.97 28.64 1kkd h ARG 34 CO 0.00 0.00 -0.62 0.39 2.80 0.00 0.00 179.97 182.54 1kkd n GLU 35 N -2.43 -1.48 0.19 0.20 4.71 0.77 -4.89 120.64 117.71 1kkd n GLU 35 Ca 0.03 0.95 0.08 0.00 -0.01 0.00 0.00 57.16 58.21 1kkd n GLU 35 Cb 0.31 -4.69 0.14 0.00 -1.01 0.00 0.00 31.44 26.19 1kkd n GLU 35 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 1kkd h THR 36 N -0.63 0.38 -0.01 2.62 1.35 -1.87 -2.82 112.91 111.93 1kkd h THR 36 Ca -0.41 -1.49 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 1kkd h THR 36 Cb 1.23 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 1kkd h THR 36 CO 0.39 0.21 -0.32 0.79 -0.25 0.00 0.00 175.52 176.34 1kkd n TRP 37 N -3.16 0.00 0.01 4.73 7.02 -1.26 -2.95 117.44 121.83 1kkd n TRP 37 Ca 0.03 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.53 1kkd n TRP 37 Cb 0.60 -0.09 -0.10 0.00 -2.42 0.00 0.00 31.31 29.31 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 -0.47 0.56 0.05 -0.99 7.99 -1.08 -4.21 117.00 118.84 1kkd n LEU 38 Ca 0.11 0.24 -0.23 0.00 -0.01 0.00 0.00 56.01 56.13 1kkd n LEU 38 Cb 0.38 0.11 -0.15 0.00 -0.11 0.00 0.00 43.42 43.65 1kkd n LEU 38 CO 0.27 0.13 -0.62 0.16 -1.51 0.00 0.00 177.39 175.81 1kkd h ILE 39 N 0.00 0.84 -6.01 -0.08 3.07 -1.58 -3.50 117.51 110.25 1kkd h ILE 39 Ca -0.17 -2.45 -0.11 0.00 1.55 0.00 0.00 64.86 63.68 1kkd h ILE 39 Cb 1.49 2.68 0.01 0.00 -0.27 0.00 0.00 36.82 40.73 1kkd h ILE 39 CO 0.03 0.87 -0.99 -1.22 -1.05 0.00 0.00 178.15 175.79 1kkd n TYR 40 N -3.58 -2.10 -3.97 0.16 4.01 -1.15 -4.96 117.16 105.58 1kkd n TYR 40 Ca -0.27 0.89 -0.34 0.00 -0.16 0.00 0.00 57.90 58.02 1kkd n TYR 40 Cb 1.06 -2.29 -0.14 0.00 -0.31 0.00 0.00 39.34 37.66 1kkd n TYR 40 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1kkd s LYS 41 N -1.78 2.39 0.17 -0.72 3.01 -1.26 -4.86 119.74 116.70 1kkd s LYS 41 Ca 0.15 -1.27 0.00 0.00 -1.01 0.00 0.00 55.97 53.83 1kkd s LYS 41 Cb -0.02 -3.06 0.00 0.00 -1.01 0.00 0.00 37.83 33.73 1kkd s LYS 41 CO 0.52 -0.59 0.00 -1.71 0.51 0.00 0.00 175.35 174.09 1kkd n ASN 42 N 4.56 -0.40 -3.59 2.83 2.85 -1.26 -5.09 115.26 115.15 1kkd n ASN 42 Ca -0.14 0.30 -0.13 0.00 -0.11 0.00 0.00 54.58 54.50 1kkd n ASN 42 Cb 0.43 0.51 -0.12 0.00 1.24 0.00 0.00 39.78 41.85 1kkd n ASN 42 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1kkd s THR 43 N -2.00 -0.46 -0.35 -0.44 -1.32 -1.26 -5.04 115.64 104.78 1kkd s THR 43 Ca 0.00 0.16 0.15 0.00 -1.21 0.00 0.00 61.69 60.78 1kkd s THR 43 Cb 0.00 -0.56 0.41 0.00 -1.51 0.00 0.00 72.50 70.84 1kkd s THR 43 CO 0.00 0.03 0.90 2.29 -2.21 0.00 0.00 174.62 175.63 1kkd n LYS 44 N 5.35 1.07 -2.73 7.08 2.85 -1.26 -4.91 118.16 125.63 1kkd n LYS 44 Ca -0.06 -3.15 -0.09 0.00 -1.05 0.00 0.00 58.31 53.97 1kkd n LYS 44 Cb 0.50 -1.33 0.10 0.00 -0.65 0.00 0.00 35.03 33.64 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 0.05 -2.22 -0.31 -5.58 -0.00 -1.26 -4.98 117.00 102.71 1kkd n LEU 45 Ca 0.14 -3.66 0.02 0.00 -0.00 0.00 0.00 56.01 52.52 1kkd n LEU 45 Cb 0.76 0.71 0.16 0.00 -0.00 0.00 0.00 43.42 45.05 1kkd n LEU 45 CO 0.21 2.04 1.18 -0.37 -0.00 0.00 0.00 177.39 180.45 1kkd h VAL 46 N 2.74 0.99 -3.23 1.47 -1.51 -2.05 -3.48 116.25 111.18 1kkd h VAL 46 Ca -0.14 -0.31 0.32 0.00 -1.23 0.00 0.00 66.70 65.33 1kkd h VAL 46 Cb 1.15 -0.01 -0.16 0.00 -2.13 0.00 0.00 31.29 30.14 1kkd h VAL 46 CO 0.08 0.17 -1.02 0.29 -1.23 0.00 0.00 177.57 175.86 1kkd n LYS 47 N -4.66 -2.93 -3.00 5.19 4.76 -1.26 -4.42 118.16 111.84 1kkd n LYS 47 Ca 0.13 2.32 -0.44 0.00 -2.87 0.00 0.00 58.31 57.45 1kkd n LYS 47 Cb 0.23 -3.52 -0.01 0.00 -1.84 0.00 0.00 35.03 29.89 1kkd n LYS 47 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1kkd s LYS 48 N -3.96 3.81 1.13 1.97 -2.85 -1.26 -5.02 119.74 113.55 1kkd s LYS 48 Ca 0.00 -2.20 -0.17 0.00 -1.00 0.00 0.00 55.97 52.60 1kkd s LYS 48 Cb 0.00 -4.90 0.19 0.00 -2.06 0.00 0.00 37.83 31.06 1kkd s LYS 48 CO 0.00 -1.69 0.34 0.44 0.10 0.00 0.00 175.35 174.54 1kkd n ILE 49 N 4.87 0.00 -2.93 3.79 -6.64 -1.26 -5.03 119.36 112.17 1kkd n ILE 49 Ca 0.27 -0.13 0.01 0.00 -1.77 0.00 0.00 62.75 61.14 1kkd n ILE 49 Cb 0.46 -0.62 0.00 0.00 -1.44 0.00 0.00 39.64 38.04 1kkd n ILE 49 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 1kkd s ASP 50 N -2.13 -0.85 -0.02 7.28 -1.08 -1.26 -5.05 116.67 113.56 1kkd s ASP 50 Ca 0.48 -0.50 -0.06 0.00 -0.52 0.00 0.00 52.55 51.95 1kkd s ASP 50 Cb -0.09 1.09 -0.02 0.00 -1.46 0.00 0.00 42.92 42.43 1kkd s ASP 50 CO 0.48 -0.09 -0.12 1.57 0.52 0.00 0.00 175.17 177.54 1kkd n HIS 51 N 3.84 0.00 -2.87 -5.34 -0.00 -1.26 -5.05 115.22 104.53 1kkd n HIS 51 Ca 0.09 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.30 1kkd n HIS 51 Cb 0.61 -0.17 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 1kkd n HIS 51 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1kkd s ALA 52 N -2.44 -4.41 0.00 1.57 0.00 -1.26 -5.10 121.76 110.11 1kkd s ALA 52 Ca -0.10 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1kkd s ALA 52 Cb 0.01 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1kkd s ALA 52 CO 0.14 -2.39 0.00 1.63 0.00 0.00 0.00 175.76 175.14 1kkd n LYS 53 N 4.10 0.00 -3.14 0.00 4.01 -1.26 -4.93 118.16 116.94 1kkd n LYS 53 Ca 0.07 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 57.55 1kkd n LYS 53 Cb 0.62 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 35.10 1kkd n LYS 53 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1kkd n VAL 54 N -0.33 3.57 -1.78 -0.18 0.31 -1.26 -4.90 118.33 113.76 1kkd n VAL 54 Ca 0.00 -5.54 -0.33 0.00 -0.01 0.00 0.00 64.34 58.45 1kkd n VAL 54 Cb 0.00 -1.88 -0.02 0.00 -0.91 0.00 0.00 33.84 31.02 1kkd n VAL 54 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1kkd n ARG 55 N 0.61 3.36 -1.66 5.55 1.85 -1.26 -4.98 116.66 120.12 1kkd n ARG 55 Ca 0.31 -3.00 -0.47 0.00 -1.00 0.00 0.00 57.85 53.69 1kkd n ARG 55 Cb 0.37 -2.33 -0.04 0.00 -1.05 0.00 0.00 32.46 29.41 1kkd n ARG 55 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1kkd n LYS 56 N 0.91 2.04 -1.84 2.89 5.02 -1.26 -4.84 118.16 121.08 1kkd n LYS 56 Ca 0.53 0.74 -0.40 0.00 -2.02 0.00 0.00 58.31 57.16 1kkd n LYS 56 Cb 0.40 -2.49 -0.01 0.00 -0.02 0.00 0.00 35.03 32.91 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 3.42 2.58 -3.25 2.13 8.25 -1.26 -4.79 115.22 122.31 1kkd n HIS 57 Ca 0.17 -2.89 -0.09 0.00 -0.26 0.00 0.00 57.72 54.65 1kkd n HIS 57 Cb 0.28 -2.01 0.01 0.00 1.12 0.00 0.00 29.99 29.38 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 2.33 -0.73 -2.49 -0.41 6.02 -1.26 -4.76 117.38 116.08 1kkd n GLN 58 Ca 0.65 0.97 -0.41 0.00 -0.01 0.00 0.00 57.00 58.21 1kkd n GLN 58 Cb 0.25 -1.36 -0.03 0.00 1.02 0.00 0.00 30.24 30.12 1kkd n GLN 58 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1kkd s ARG 59 N -1.35 3.16 0.14 -1.09 0.52 -1.26 -4.96 118.95 114.11 1kkd s ARG 59 Ca 0.09 -0.09 0.04 0.00 -0.52 0.00 0.00 55.73 55.25 1kkd s ARG 59 Cb -0.01 -4.19 -0.04 0.00 0.52 0.00 0.00 34.95 31.23 1kkd s ARG 59 CO 0.22 -2.17 -0.10 -1.59 0.02 0.00 0.00 175.30 171.69 1kkd s LYS 60 N 5.81 1.04 0.56 3.54 0.00 -1.26 -5.09 119.74 124.34 1kkd s LYS 60 Ca 0.40 -1.44 0.00 0.00 0.00 0.00 0.00 55.97 54.93 1kkd s LYS 60 Cb -0.09 -0.59 0.00 0.00 0.00 0.00 0.00 37.83 37.16 1kkd s LYS 60 CO 0.17 0.07 0.00 0.34 0.00 0.00 0.00 175.35 175.93 1kkd n PHE 61 N -0.18 -3.54 -3.84 1.78 7.35 -1.26 -5.07 117.46 112.70 1kkd n PHE 61 Ca -0.10 1.95 -0.06 0.00 -0.76 0.00 0.00 57.45 58.48 1kkd n PHE 61 Cb 0.61 -3.19 0.02 0.00 0.35 0.00 0.00 39.48 37.27 1kkd n PHE 61 CO 0.00 0.00 0.00 -0.48 -0.76 0.00 0.00 176.76 175.52 1kkd s LEU 62 N -6.86 0.02 0.78 -2.13 0.05 -1.26 -5.16 118.68 104.12 1kkd s LEU 62 Ca 0.00 -0.97 -0.14 0.00 0.05 0.00 0.00 54.13 53.07 1kkd s LEU 62 Cb 0.00 2.53 0.07 0.00 -2.05 0.00 0.00 46.19 46.74 1kkd s LEU 62 CO 0.00 -1.41 1.22 0.00 -0.55 0.00 0.00 176.35 175.61 1kkd s GLN 63 N -2.18 1.76 0.00 1.48 0.00 -1.26 -4.67 119.66 114.78 1kkd s GLN 63 Ca 0.18 1.80 0.00 0.00 -0.00 0.00 0.00 55.36 57.35 1kkd s GLN 63 Cb -0.04 -1.78 0.00 0.00 0.00 0.00 0.00 33.01 31.19 1kkd s GLN 63 CO 0.09 -2.13 0.00 0.00 0.00 0.00 0.00 175.29 173.25 1kkd n ALA 64 N -3.10 -2.39 -2.00 2.60 0.00 -1.26 -5.11 120.51 109.24 1kkd n ALA 64 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1kkd n ALA 64 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1kkd n ALA 64 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1kkd n ILE 65 N 0.24 0.00 -3.28 0.00 -5.35 -1.26 -4.94 119.36 104.77 1kkd n ILE 65 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.06 1kkd n ILE 65 Cb 0.00 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 37.89 1kkd n ILE 65 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 1kkd n HIS 66 N 0.00 3.93 -1.31 4.28 -0.00 -1.26 -5.02 115.22 115.83 1kkd n HIS 66 Ca 0.00 -3.50 0.02 0.00 0.46 0.00 0.00 57.72 54.70 1kkd n HIS 66 Cb 0.00 -1.37 -0.01 0.00 -0.12 0.00 0.00 29.99 28.49 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 2.01 -0.33 -0.84 1.57 1.13 -1.26 -4.71 117.38 114.95 1kkd n GLN 67 Ca 0.25 0.22 -0.28 0.00 -1.94 0.00 0.00 57.00 55.24 1kkd n GLN 67 Cb 0.37 -0.40 0.22 0.00 0.11 0.00 0.00 30.24 30.53 1kkd n GLN 67 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1kkd s LEU 68 N 0.00 1.18 0.36 1.08 1.43 -1.26 -5.01 118.68 116.47 1kkd s LEU 68 Ca 0.00 1.36 -0.13 0.00 -1.03 0.00 0.00 54.13 54.33 1kkd s LEU 68 Cb 0.00 -3.40 -0.08 0.00 0.03 0.00 0.00 46.19 42.74 1kkd s LEU 68 CO 0.00 -3.71 0.75 -0.13 0.23 0.00 0.00 176.35 173.48 1kkd s ARG 69 N -4.70 3.90 0.42 1.70 1.81 -1.26 -4.91 118.95 115.91 1kkd s ARG 69 Ca 0.67 0.58 0.00 0.00 -1.72 0.00 0.00 55.73 55.26 1kkd s ARG 69 Cb -0.22 -2.41 0.00 0.00 -0.45 0.00 0.00 34.95 31.87 1kkd s ARG 69 CO 0.61 0.07 0.00 0.43 -0.68 0.00 0.00 175.30 175.74 1kkd n SER 70 N -0.77 -6.70 -0.37 0.23 7.64 -1.26 -4.86 113.62 107.53 1kkd n SER 70 Ca 0.03 0.93 0.00 0.00 1.01 0.00 0.00 58.87 60.84 1kkd n SER 70 Cb 0.53 -4.13 0.00 0.00 -1.01 0.00 0.00 64.21 59.60 1kkd n SER 70 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1kkd n VAL 71 N -3.91 0.00 -1.61 0.44 3.14 -1.26 -4.92 118.33 110.21 1kkd n VAL 71 Ca -0.05 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.01 1kkd n VAL 71 Cb 0.62 0.52 -0.04 0.00 -1.06 0.00 0.00 33.84 33.87 1kkd n VAL 71 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1kkd n LYS 72 N 0.00 3.52 -0.38 1.45 5.02 -1.26 -4.96 118.16 121.55 1kkd n LYS 72 Ca 0.00 -2.62 -0.29 0.00 -2.02 0.00 0.00 58.31 53.38 1kkd n LYS 72 Cb 0.62 -2.45 0.27 0.00 -0.02 0.00 0.00 35.03 33.45 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 1.94 -3.50 -3.35 1.97 2.81 -1.26 -4.95 117.12 110.78 1kkd n MET 73 Ca 0.59 -1.02 -0.43 0.00 -1.81 0.00 0.00 57.70 55.03 1kkd n MET 73 Cb 0.41 -1.98 -0.08 0.00 -0.71 0.00 0.00 33.22 30.86 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 -4.53 3.04 0.29 0.03 2.12 -1.26 -5.03 118.70 113.36 1kkd s GLU 74 Ca 0.65 -0.99 0.02 0.00 0.36 0.00 0.00 54.97 55.02 1kkd s GLU 74 Cb -0.18 -4.03 -0.03 0.00 0.26 0.00 0.00 34.13 30.16 1kkd s GLU 74 CO 0.60 -0.92 0.27 -0.65 -0.54 0.00 0.00 175.26 174.03 1kkd s GLN 75 N 1.95 1.60 0.53 4.30 -0.21 -1.26 -5.11 119.66 121.47 1kkd s GLN 75 Ca 0.09 -1.83 0.00 0.00 0.02 0.00 0.00 55.36 53.64 1kkd s GLN 75 Cb -0.20 0.33 0.00 0.00 1.00 0.00 0.00 33.01 34.15 1kkd s GLN 75 CO 0.11 -0.59 0.00 0.54 -2.12 0.00 0.00 175.29 173.22 1kkd n ARG 76 N -0.50 -4.60 -1.72 2.91 1.74 -1.26 -5.09 116.66 108.14 1kkd n ARG 76 Ca 0.04 3.43 -0.00 0.00 -0.77 0.00 0.00 57.85 60.55 1kkd n ARG 76 Cb 0.63 -3.87 0.00 0.00 -1.02 0.00 0.00 32.46 28.21 1kkd n ARG 76 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1kkd n LYS 77 N -0.93 0.04 0.00 5.56 0.00 -1.26 -5.06 118.16 116.50 1kkd n LYS 77 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 1kkd n LYS 77 Cb 0.01 0.12 0.00 0.00 -0.00 0.00 0.00 35.03 35.17 1kkd n LYS 77 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1kkd n LEU 78 N 0.00 0.00 -3.63 -5.58 -0.00 -1.26 -4.64 117.00 101.90 1kkd n LEU 78 Ca -0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.75 1kkd n LEU 78 Cb 0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.43 1kkd n LEU 78 CO 0.01 0.00 -0.07 0.59 -0.00 0.00 0.00 177.39 177.93 1kkd n ASN 79 N 2.05 -2.54 0.07 1.45 3.02 -1.26 -4.59 115.26 113.46 1kkd n ASN 79 Ca 0.00 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 54.02 1kkd n ASN 79 Cb 0.00 -2.16 0.00 0.00 -0.61 0.00 0.00 39.78 37.01 1kkd n ASN 79 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1kkd n ASP 80 N -2.21 -0.07 -4.10 6.41 -0.08 -1.26 -4.95 116.55 110.29 1kkd n ASP 80 Ca 0.04 0.22 -0.43 0.00 -1.51 0.00 0.00 54.79 53.11 1kkd n ASP 80 Cb 0.50 0.18 0.00 0.00 2.34 0.00 0.00 41.12 44.15 1kkd n ASP 80 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1kkd n GLN 81 N -2.95 3.65 0.00 -0.67 7.27 -1.26 -4.78 117.38 118.64 1kkd n GLN 81 Ca 0.00 -3.83 0.00 0.00 0.07 0.00 0.00 57.00 53.24 1kkd n GLN 81 Cb 0.01 -2.88 0.00 0.00 2.41 0.00 0.00 30.24 29.78 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 3.99 0.00 0.08 1.69 0.00 -1.26 -4.85 120.51 120.17 1kkd n ALA 82 Ca 0.36 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.90 1kkd n ALA 82 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.80 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 0.00 0.72 0.00 0.00 3.02 -1.26 -4.95 115.26 112.79 1kkd n ASN 83 Ca 0.00 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1kkd n ASN 83 Cb 0.00 0.66 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 1kkd n ASN 83 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1kkd n THR 84 N -2.63 0.00 0.00 3.41 -1.04 -1.26 -3.91 114.28 108.85 1kkd n THR 84 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1kkd n THR 84 Cb 0.58 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 1kkd n THR 84 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kkd n LEU 85 N 0.00 0.00 -2.53 -4.42 -0.00 -1.26 -5.10 117.00 103.69 1kkd n LEU 85 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.97 1kkd n LEU 85 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 1kkd n LEU 85 CO 0.00 0.00 -0.09 0.52 -0.00 0.00 0.00 177.39 177.82 1kkd n VAL 86 N 0.00 -9.40 0.00 1.47 0.31 -1.25 -5.04 118.33 104.42 1kkd n VAL 86 Ca 0.00 0.94 0.00 0.00 -0.01 0.00 0.00 64.34 65.27 1kkd n VAL 86 Cb 0.00 -6.51 0.00 0.00 -0.91 0.00 0.00 33.84 26.42 1kkd n VAL 86 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1kkd n ASP 87 N -0.06 0.00 0.00 4.52 9.92 -1.26 -5.01 116.55 124.66 1kkd n ASP 87 Ca 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 1kkd n ASP 87 Cb 0.25 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 1kkd n ASP 87 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kkd n LEU 88 N 0.00 0.00 -0.07 0.64 -0.00 -1.26 -4.81 117.00 111.50 1kkd n LEU 88 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.86 1kkd n LEU 88 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 1kkd n LEU 88 CO 0.00 0.00 0.32 0.00 -0.00 0.00 0.00 177.39 177.71 1kkd h ALA 89 N 0.00 0.02 -2.48 1.47 0.00 -2.04 -3.50 119.26 112.74 1kkd h ALA 89 Ca 0.00 -0.55 0.29 0.00 0.00 0.00 0.00 54.91 54.65 1kkd h ALA 89 Cb 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 1kkd h ALA 89 CO 0.00 0.06 -0.45 1.17 0.00 0.00 0.00 179.25 180.02 1kkd n LYS 90 N -4.59 -2.20 -3.18 0.00 3.00 -1.26 -4.89 118.16 105.04 1kkd n LYS 90 Ca -0.12 1.50 -0.15 0.00 -0.00 0.00 0.00 58.31 59.54 1kkd n LYS 90 Cb 0.50 -2.70 0.02 0.00 0.00 0.00 0.00 35.03 32.84 1kkd n LYS 90 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1kkd n THR 91 N -3.37 -2.60 -0.01 3.15 -2.24 -1.26 -5.22 114.28 102.73 1kkd n THR 91 Ca -0.00 0.31 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1kkd n THR 91 Cb 0.63 -3.03 0.00 0.00 -2.10 0.00 0.00 70.33 65.83 1kkd n THR 91 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17