#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 1.48 0.25 5.56 1.02 -1.26 -4.90 119.74 121.88 1kkd s LYS 2 Ca 0.00 -0.32 0.00 0.00 0.02 0.00 0.00 55.97 55.67 1kkd s LYS 2 Cb 0.00 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 1kkd s LYS 2 CO 0.00 -1.81 0.00 1.28 -0.92 0.00 0.00 175.35 173.90 1kkd n LEU 3 N -3.34 -5.05 -3.27 3.17 4.32 -1.26 -4.86 117.00 106.70 1kkd n LEU 3 Ca 0.12 2.27 -0.25 0.00 -0.02 0.00 0.00 56.01 58.12 1kkd n LEU 3 Cb 0.60 -1.99 -0.07 0.00 -1.62 0.00 0.00 43.42 40.35 1kkd n LEU 3 CO 0.50 -0.58 -0.09 -0.62 -1.22 0.00 0.00 177.39 175.38 1kkd n GLU 4 N 0.40 1.77 0.17 3.23 -0.58 -1.26 -4.60 120.64 119.77 1kkd n GLU 4 Ca 0.00 -4.03 0.00 0.00 -0.42 0.00 0.00 57.16 52.71 1kkd n GLU 4 Cb 0.00 -1.81 0.00 0.00 -0.57 0.00 0.00 31.44 29.06 1kkd n GLU 4 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1kkd n LEU 5 N 0.93 -3.02 -2.58 -4.62 0.00 -1.26 -4.98 117.00 101.47 1kkd n LEU 5 Ca 0.26 0.65 -0.22 0.00 0.00 0.00 0.00 56.01 56.71 1kkd n LEU 5 Cb 0.47 2.94 0.01 0.00 0.00 0.00 0.00 43.42 46.84 1kkd n LEU 5 CO 0.30 0.07 0.09 1.07 0.00 0.00 0.00 177.39 178.91 1kkd n THR 6 N -3.18 1.95 -0.71 1.96 5.66 -1.26 -4.95 114.28 113.74 1kkd n THR 6 Ca 0.00 -4.43 -0.22 0.00 -3.05 0.00 0.00 64.05 56.35 1kkd n THR 6 Cb 0.00 -0.69 -0.02 0.00 -1.55 0.00 0.00 70.33 68.07 1kkd n THR 6 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1kkd n LYS 7 N -0.32 1.83 -3.11 1.09 2.85 -1.26 -4.33 118.16 114.91 1kkd n LYS 7 Ca 0.29 -1.41 -0.20 0.00 -1.05 0.00 0.00 58.31 55.95 1kkd n LYS 7 Cb 0.69 -2.45 -0.04 0.00 -0.65 0.00 0.00 35.03 32.57 1kkd n LYS 7 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1kkd n ALA 8 N 4.61 1.71 0.11 0.58 0.00 -1.26 -4.92 120.51 121.34 1kkd n ALA 8 Ca 0.41 -3.06 0.05 0.00 0.00 0.00 0.00 53.44 50.84 1kkd n ALA 8 Cb 0.15 -0.92 0.22 0.00 0.00 0.00 0.00 19.45 18.90 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 1.20 2.91 -0.04 0.00 1.02 -1.26 -3.75 120.64 120.71 1kkd n GLU 9 Ca 0.20 -1.73 -0.05 0.00 -0.02 0.00 0.00 57.16 55.55 1kkd n GLU 9 Cb 0.57 -1.78 -0.04 0.00 -0.02 0.00 0.00 31.44 30.18 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 0.46 0.95 -1.16 3.49 2.85 -1.26 -5.13 118.16 118.37 1kkd n LYS 10 Ca 0.15 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.45 1kkd n LYS 10 Cb 0.68 -1.16 0.00 0.00 -0.65 0.00 0.00 35.03 33.90 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 -3.02 -0.77 5.58 8.25 -1.25 -5.10 115.22 116.33 1kkd n HIS 11 Ca -0.13 1.57 0.00 0.00 -0.26 0.00 0.00 57.72 58.90 1kkd n HIS 11 Cb 0.66 -2.86 0.00 0.00 1.12 0.00 0.00 29.99 28.91 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 0.06 0.00 -0.21 1.59 0.24 -1.26 -5.14 118.33 113.62 1kkd n VAL 12 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.32 1kkd n VAL 12 Cb 0.00 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.36 1kkd n VAL 12 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1kkd n HIS 13 N 0.00 -0.56 -0.36 6.34 -0.00 -1.26 -4.88 115.22 114.50 1kkd n HIS 13 Ca 0.00 0.31 0.00 0.00 0.46 0.00 0.00 57.72 58.49 1kkd n HIS 13 Cb 0.00 -0.61 0.00 0.00 -0.12 0.00 0.00 29.99 29.26 1kkd n HIS 13 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1kkd n ASN 14 N -2.16 0.00 -2.73 0.26 2.85 -1.26 -4.78 115.26 107.44 1kkd n ASN 14 Ca -0.01 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.38 1kkd n ASN 14 Cb 0.09 0.00 0.09 0.00 1.24 0.00 0.00 39.78 41.20 1kkd n ASN 14 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 1kkd n PHE 15 N -2.00 -1.87 -0.01 1.20 1.16 -1.26 -4.94 117.46 109.75 1kkd n PHE 15 Ca 0.00 -2.22 -0.01 0.00 -1.87 0.00 0.00 57.45 53.35 1kkd n PHE 15 Cb 0.00 1.19 -0.01 0.00 -1.61 0.00 0.00 39.48 39.05 1kkd n PHE 15 CO 0.00 0.00 0.00 -1.33 -1.87 0.00 0.00 176.76 173.56 1kkd n MET 16 N -0.24 1.77 -0.37 3.97 0.00 -1.26 -4.57 117.12 116.42 1kkd n MET 16 Ca 0.03 0.01 0.31 0.00 0.00 0.00 0.00 57.70 58.04 1kkd n MET 16 Cb 0.80 -1.03 0.57 0.00 0.00 0.00 0.00 33.22 33.55 1kkd n MET 16 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 1kkd h MET 17 N 0.00 0.15 -1.87 0.03 2.86 -2.00 -3.29 114.93 110.81 1kkd h MET 17 Ca -0.04 -0.01 -0.25 0.00 -2.06 0.00 0.00 59.70 57.34 1kkd h MET 17 Cb 1.07 -0.03 -0.30 0.00 0.06 0.00 0.00 31.60 32.39 1kkd h MET 17 CO -0.00 0.10 -0.58 -0.51 1.06 0.00 0.00 176.91 176.97 1kkd s ASP 18 N -4.67 0.89 -1.61 1.22 1.11 -1.26 -5.04 116.67 107.31 1kkd s ASP 18 Ca -0.09 -0.64 -0.10 0.00 0.18 0.00 0.00 52.55 51.90 1kkd s ASP 18 Cb 0.31 0.85 -0.07 0.00 1.07 0.00 0.00 42.92 45.08 1kkd s ASP 18 CO 0.80 -0.36 2.89 0.35 1.18 0.00 0.00 175.17 180.04 1kkd n THR 19 N 5.22 4.27 0.00 -1.27 -2.24 -1.24 -3.60 114.28 115.42 1kkd n THR 19 Ca 0.01 -2.65 0.00 0.00 -2.27 0.00 0.00 64.05 59.13 1kkd n THR 19 Cb 0.48 -2.61 0.00 0.00 -2.10 0.00 0.00 70.33 66.10 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 3.76 0.00 -2.69 -0.78 1.13 -1.26 -5.09 117.38 112.45 1kkd n GLN 20 Ca 0.76 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 55.75 1kkd n GLN 20 Cb 0.24 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.60 1kkd n GLN 20 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 1kkd n LEU 21 N 0.00 -2.60 -0.09 1.08 -0.00 -1.24 -4.89 117.00 109.26 1kkd n LEU 21 Ca 0.00 0.22 -0.13 0.00 -0.00 0.00 0.00 56.01 56.09 1kkd n LEU 21 Cb 0.00 -1.24 -0.14 0.00 -0.00 0.00 0.00 43.42 42.04 1kkd n LEU 21 CO 0.00 -0.86 -1.11 0.35 -0.00 0.00 0.00 177.39 175.77 1kkd n THR 22 N 0.84 1.48 0.00 1.47 -2.24 -1.26 -5.02 114.28 109.56 1kkd n THR 22 Ca -0.02 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1kkd n THR 22 Cb 0.43 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 1kkd n THR 22 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1kkd n LYS 23 N -3.01 0.00 0.00 -0.78 3.00 -1.26 -4.76 118.16 111.35 1kkd n LYS 23 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 57.96 1kkd n LYS 23 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 35.03 36.11 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 12.96 0.00 -3.51 1.64 1.85 -1.26 -4.98 116.66 123.36 1kkd n ARG 24 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 1kkd n ARG 24 Cb 0.00 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.43 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 -4.82 0.00 8.89 3.14 -1.26 -1.63 118.33 122.64 1kkd n VAL 25 Ca 0.00 0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 1kkd n VAL 25 Cb 0.00 -3.93 0.00 0.00 -1.06 0.00 0.00 33.84 28.85 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 -1.04 0.00 -1.07 1.45 4.01 -1.26 -3.48 118.16 116.77 1kkd n LYS 26 Ca -0.13 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.67 1kkd n LYS 26 Cb 0.66 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.18 1kkd n LYS 26 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1kkd n ASN 27 N 1.73 -1.56 0.00 4.39 5.15 -0.65 -4.66 115.26 119.67 1kkd n ASN 27 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1kkd n ASN 27 Cb 0.00 -0.78 0.00 0.00 -0.53 0.00 0.00 39.78 38.47 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 0.34 0.00 -2.68 5.20 0.00 -1.26 -4.72 120.51 117.38 1kkd n ALA 28 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1kkd n ALA 28 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.49 2.75 -0.27 0.00 0.00 -1.26 -4.88 120.51 116.36 1kkd n ALA 29 Ca 0.00 -1.99 0.05 0.00 0.00 0.00 0.00 53.44 51.50 1kkd n ALA 29 Cb 0.00 -0.80 0.11 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.73 0.18 -2.51 0.00 0.00 -1.23 -3.42 120.51 112.81 1kkd n ALA 30 Ca -0.04 0.82 -0.02 0.00 0.00 0.00 0.00 53.44 54.20 1kkd n ALA 30 Cb 0.86 -0.49 0.08 0.00 0.00 0.00 0.00 19.45 19.89 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 -5.21 -1.15 -1.34 0.00 4.13 -1.26 -4.75 115.26 105.68 1kkd n ASN 31 Ca 0.12 -1.95 -0.11 0.00 1.68 0.00 0.00 54.58 54.32 1kkd n ASN 31 Cb 0.38 0.51 -0.05 0.00 -1.54 0.00 0.00 39.78 39.08 1kkd n ASN 31 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1kkd n VAL 32 N -1.06 -0.01 0.00 2.41 0.24 -1.22 0.22 118.33 118.92 1kkd n VAL 32 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1kkd n VAL 32 Cb 0.78 -1.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.08 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 -1.75 0.00 0.04 1.34 4.32 -1.26 -4.16 117.00 115.54 1kkd n LEU 33 Ca -0.11 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 55.91 1kkd n LEU 33 Cb 0.37 0.00 0.41 0.00 -1.62 0.00 0.00 43.42 42.58 1kkd n LEU 33 CO 0.17 0.00 1.06 0.03 -1.22 0.00 0.00 177.39 177.43 1kkd h ARG 34 N 0.00 0.44 -5.83 3.23 -0.00 -2.00 -3.45 114.38 106.77 1kkd h ARG 34 Ca 0.00 -0.05 -0.40 0.00 -0.50 0.00 0.00 59.98 59.03 1kkd h ARG 34 Cb 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 29.97 29.76 1kkd h ARG 34 CO 0.00 0.37 -0.60 -0.85 0.00 0.00 0.00 179.97 178.90 1kkd n GLU 35 N -4.40 -3.04 0.27 0.04 0.28 0.60 -4.77 120.64 109.61 1kkd n GLU 35 Ca 0.02 0.38 0.15 0.00 -0.16 0.00 0.00 57.16 57.54 1kkd n GLU 35 Cb 0.14 -5.06 0.75 0.00 1.43 0.00 0.00 31.44 28.69 1kkd n GLU 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1kkd h THR 36 N -0.97 0.35 -0.64 3.84 1.03 -1.89 -0.71 112.91 113.92 1kkd h THR 36 Ca -0.44 -0.54 -0.31 0.00 -0.01 0.00 0.00 66.41 65.11 1kkd h THR 36 Cb 1.29 1.40 -0.18 0.00 -1.07 0.00 0.00 68.15 69.59 1kkd h THR 36 CO 0.57 0.09 0.39 0.79 -0.01 0.00 0.00 175.52 177.35 1kkd n TRP 37 N -3.39 2.01 0.00 0.00 7.02 -1.26 -1.16 117.44 120.65 1kkd n TRP 37 Ca -0.01 -1.30 0.00 0.00 -1.02 0.00 0.00 57.50 55.17 1kkd n TRP 37 Cb 0.26 -0.68 0.00 0.00 -2.42 0.00 0.00 31.31 28.47 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 -0.49 0.00 -0.08 -0.99 7.99 -0.43 -4.90 117.00 118.10 1kkd n LEU 38 Ca 0.38 0.00 -0.08 0.00 -0.01 0.00 0.00 56.01 56.30 1kkd n LEU 38 Cb 1.25 0.02 -0.13 0.00 -0.11 0.00 0.00 43.42 44.44 1kkd n LEU 38 CO 0.39 -0.31 -1.04 2.30 -1.51 0.00 0.00 177.39 177.22 1kkd n ILE 39 N -2.12 1.12 -4.02 -0.08 -5.35 -0.40 -5.01 119.36 103.50 1kkd n ILE 39 Ca 0.00 -0.71 -0.37 0.00 -0.27 0.00 0.00 62.75 61.40 1kkd n ILE 39 Cb 0.00 -0.52 0.01 0.00 -1.74 0.00 0.00 39.64 37.39 1kkd n ILE 39 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kkd n TYR 40 N -2.61 -1.07 0.00 4.28 0.18 -0.31 -3.10 117.16 114.53 1kkd n TYR 40 Ca -0.27 0.05 0.00 0.00 1.88 0.00 0.00 57.90 59.56 1kkd n TYR 40 Cb 1.03 -2.17 0.00 0.00 -0.38 0.00 0.00 39.34 37.82 1kkd n TYR 40 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1kkd n LYS 41 N -4.22 0.00 0.16 -3.48 4.01 -1.26 -3.92 118.16 109.46 1kkd n LYS 41 Ca -0.09 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.71 1kkd n LYS 41 Cb 0.45 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.97 1kkd n LYS 41 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1kkd n ASN 42 N 3.11 -2.94 -4.79 4.39 2.85 -1.18 -5.14 115.26 111.56 1kkd n ASN 42 Ca 0.00 0.70 -0.30 0.00 -0.11 0.00 0.00 54.58 54.87 1kkd n ASN 42 Cb 0.00 2.86 -0.06 0.00 1.24 0.00 0.00 39.78 43.82 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 4.61 -0.62 -0.44 -1.32 -1.25 -5.06 115.64 109.55 1kkd s THR 43 Ca 0.00 -0.78 -0.22 0.00 -1.21 0.00 0.00 61.69 59.48 1kkd s THR 43 Cb 0.00 -3.25 0.07 0.00 -1.51 0.00 0.00 72.50 67.82 1kkd s THR 43 CO 0.00 0.09 0.88 -1.59 -2.21 0.00 0.00 174.62 171.78 1kkd s LYS 44 N -2.53 3.11 -0.93 7.08 -2.85 -1.26 -4.92 119.74 117.45 1kkd s LYS 44 Ca 0.30 -0.90 0.00 0.00 -1.00 0.00 0.00 55.97 54.37 1kkd s LYS 44 Cb -0.12 -4.21 0.32 0.00 -2.06 0.00 0.00 37.83 31.76 1kkd s LYS 44 CO 0.23 -1.69 1.60 1.47 0.10 0.00 0.00 175.35 177.06 1kkd n LEU 45 N 7.27 6.62 0.03 2.77 -0.00 -1.26 -4.76 117.00 127.67 1kkd n LEU 45 Ca -0.05 -5.45 0.08 0.00 -0.00 0.00 0.00 56.01 50.60 1kkd n LEU 45 Cb 0.45 -1.03 0.51 0.00 -0.00 0.00 0.00 43.42 43.35 1kkd n LEU 45 CO 0.62 2.10 1.15 -0.37 -0.00 0.00 0.00 177.39 180.89 1kkd h VAL 46 N 2.47 0.99 -4.38 1.47 -1.51 -2.04 -3.47 116.25 109.78 1kkd h VAL 46 Ca 0.42 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.77 1kkd h VAL 46 Cb 0.38 0.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.15 1kkd h VAL 46 CO 1.10 0.06 -0.40 1.17 -1.23 0.00 0.00 177.57 178.28 1kkd n LYS 47 N -4.48 -1.68 -0.68 5.19 3.00 -1.26 -4.97 118.16 113.28 1kkd n LYS 47 Ca 0.04 1.63 -0.31 0.00 -0.00 0.00 0.00 58.31 59.67 1kkd n LYS 47 Cb 0.20 -3.99 0.16 0.00 0.00 0.00 0.00 35.03 31.40 1kkd n LYS 47 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1kkd n LYS 48 N -0.15 -0.57 -0.86 1.64 2.85 -1.26 -4.91 118.16 114.91 1kkd n LYS 48 Ca 0.05 -0.11 -0.35 0.00 -1.05 0.00 0.00 58.31 56.86 1kkd n LYS 48 Cb 0.20 -2.25 0.09 0.00 -0.65 0.00 0.00 35.03 32.43 1kkd n LYS 48 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1kkd n ILE 49 N -4.17 0.00 -0.12 0.58 2.08 -1.26 -4.95 119.36 111.52 1kkd n ILE 49 Ca 0.10 -0.26 -0.18 0.00 0.56 0.00 0.00 62.75 62.97 1kkd n ILE 49 Cb 0.53 -0.33 -0.10 0.00 -0.75 0.00 0.00 39.64 38.98 1kkd n ILE 49 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1kkd n ASP 50 N 0.80 2.11 -3.39 4.38 8.00 -1.26 -5.03 116.55 122.16 1kkd n ASP 50 Ca 0.01 -0.03 -0.19 0.00 0.71 0.00 0.00 54.79 55.29 1kkd n ASP 50 Cb 0.61 -0.44 0.06 0.00 -0.02 0.00 0.00 41.12 41.33 1kkd n ASP 50 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1kkd n HIS 51 N -3.37 -2.28 -3.67 1.24 -0.00 -1.26 -4.99 115.22 100.89 1kkd n HIS 51 Ca -0.42 0.78 0.01 0.00 0.46 0.00 0.00 57.72 58.55 1kkd n HIS 51 Cb 0.91 -4.11 -0.00 0.00 -0.12 0.00 0.00 29.99 26.67 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 -3.42 -2.23 0.00 1.57 0.00 -1.26 -5.09 121.76 111.32 1kkd s ALA 52 Ca 0.38 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1kkd s ALA 52 Cb -0.07 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.49 1kkd s ALA 52 CO 0.77 -1.07 0.39 1.17 0.00 0.00 0.00 175.76 177.03 1kkd n LYS 53 N -0.54 0.00 -3.00 0.00 3.00 -1.26 -4.94 118.16 111.42 1kkd n LYS 53 Ca -0.07 0.08 -0.08 0.00 -0.00 0.00 0.00 58.31 58.24 1kkd n LYS 53 Cb 0.62 -0.89 0.04 0.00 0.00 0.00 0.00 35.03 34.80 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 -0.47 -8.71 -2.01 3.15 0.31 -1.26 -5.04 118.33 104.30 1kkd n VAL 54 Ca 0.00 -0.81 0.00 0.00 -0.01 0.00 0.00 64.34 63.52 1kkd n VAL 54 Cb 0.00 -6.34 0.00 0.00 -0.91 0.00 0.00 33.84 26.59 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 -2.49 2.21 -4.48 5.55 1.85 -1.26 -5.18 116.66 112.85 1kkd n ARG 55 Ca -0.04 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.58 1kkd n ARG 55 Cb 0.56 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.88 1kkd n ARG 55 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1kkd s LYS 56 N 1.99 1.76 -1.05 2.89 -2.85 -1.26 -5.06 119.74 116.16 1kkd s LYS 56 Ca 0.00 -2.02 -0.01 0.00 -1.00 0.00 0.00 55.97 52.94 1kkd s LYS 56 Cb 0.00 -0.79 0.30 0.00 -2.06 0.00 0.00 37.83 35.28 1kkd s LYS 56 CO 0.00 -0.29 1.88 -2.39 0.10 0.00 0.00 175.35 174.64 1kkd n HIS 57 N -0.78 2.76 -1.04 1.78 1.44 -1.26 -4.86 115.22 113.26 1kkd n HIS 57 Ca -0.04 -2.58 -0.28 0.00 -2.01 0.00 0.00 57.72 52.81 1kkd n HIS 57 Cb 0.66 -1.25 -0.05 0.00 0.12 0.00 0.00 29.99 29.47 1kkd n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1kkd n GLN 58 N 0.08 2.78 -1.92 -1.40 10.64 -1.26 -4.74 117.38 121.57 1kkd n GLN 58 Ca 0.48 -1.68 0.00 0.00 -1.83 0.00 0.00 57.00 53.98 1kkd n GLN 58 Cb 0.26 -2.50 0.00 0.00 -0.86 0.00 0.00 30.24 27.14 1kkd n GLN 58 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1kkd n ARG 59 N 3.53 -5.10 -1.53 2.61 3.00 -1.26 -4.79 116.66 113.12 1kkd n ARG 59 Ca 0.59 3.66 -0.51 0.00 -0.01 0.00 0.00 57.85 61.58 1kkd n ARG 59 Cb 0.33 -3.88 -0.05 0.00 0.00 0.00 0.00 32.46 28.86 1kkd n ARG 59 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1kkd n LYS 60 N 1.71 0.74 -2.29 5.56 4.76 -1.26 -4.78 118.16 122.60 1kkd n LYS 60 Ca 0.00 0.26 -0.36 0.00 -2.87 0.00 0.00 58.31 55.34 1kkd n LYS 60 Cb 0.00 -1.69 -0.04 0.00 -1.84 0.00 0.00 35.03 31.47 1kkd n LYS 60 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1kkd s PHE 61 N -0.27 2.08 0.23 2.13 0.40 -1.26 -4.87 117.98 116.42 1kkd s PHE 61 Ca 0.76 0.09 -0.22 0.00 -0.60 0.00 0.00 56.93 56.96 1kkd s PHE 61 Cb -0.95 -4.36 0.05 0.00 0.51 0.00 0.00 43.02 38.27 1kkd s PHE 61 CO 0.54 -1.98 0.87 -0.48 0.70 0.00 0.00 175.22 174.86 1kkd s LEU 62 N 7.54 -0.17 -0.52 -0.37 2.34 -1.26 -5.09 118.68 121.15 1kkd s LEU 62 Ca 0.56 -0.59 -0.35 0.00 0.06 0.00 0.00 54.13 53.81 1kkd s LEU 62 Cb -0.06 2.43 -0.14 0.00 -0.56 0.00 0.00 46.19 47.85 1kkd s LEU 62 CO 0.04 -1.15 2.30 0.00 -1.06 0.00 0.00 176.35 176.47 1kkd n GLN 63 N -0.50 0.65 -0.22 1.48 10.64 -1.26 -4.74 117.38 123.44 1kkd n GLN 63 Ca -0.05 0.14 0.04 0.00 -1.83 0.00 0.00 57.00 55.30 1kkd n GLN 63 Cb 0.60 -2.20 0.13 0.00 -0.86 0.00 0.00 30.24 27.91 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 10.20 2.68 -2.00 2.61 0.00 -1.26 -4.36 120.51 128.38 1kkd n ALA 64 Ca 0.48 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1kkd n ALA 64 Cb 0.17 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.26 0.00 -2.16 0.00 -5.35 -1.26 -4.85 119.36 106.00 1kkd n ILE 65 Ca 0.09 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.21 1kkd n ILE 65 Cb 0.38 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.25 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 3.46 -2.41 4.28 -0.00 -1.26 -4.72 115.22 114.57 1kkd n HIS 66 Ca 0.00 -2.14 -0.33 0.00 -0.00 0.00 0.00 57.72 55.25 1kkd n HIS 66 Cb 0.00 -2.54 0.01 0.00 -0.00 0.00 0.00 29.99 27.46 1kkd n HIS 66 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1kkd n GLN 67 N 8.05 3.45 -3.30 1.57 -0.00 -1.26 -4.95 117.38 120.94 1kkd n GLN 67 Ca 0.47 -4.29 -0.17 0.00 -0.00 0.00 0.00 57.00 53.01 1kkd n GLN 67 Cb 0.45 -2.28 0.02 0.00 -0.00 0.00 0.00 30.24 28.43 1kkd n GLN 67 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1kkd n LEU 68 N -0.41 -3.44 -2.51 2.61 4.77 -1.26 -4.92 117.00 111.84 1kkd n LEU 68 Ca 0.43 0.21 -0.16 0.00 -0.03 0.00 0.00 56.01 56.47 1kkd n LEU 68 Cb 0.43 -1.72 0.02 0.00 -2.33 0.00 0.00 43.42 39.83 1kkd n LEU 68 CO 0.41 -0.93 0.06 -2.11 -1.33 0.00 0.00 177.39 173.49 1kkd n ARG 69 N 0.60 2.45 -3.41 3.23 1.85 -1.26 -4.99 116.66 115.14 1kkd n ARG 69 Ca -0.03 -3.87 -0.13 0.00 -1.00 0.00 0.00 57.85 52.82 1kkd n ARG 69 Cb 0.56 -1.83 0.00 0.00 -1.05 0.00 0.00 32.46 30.14 1kkd n ARG 69 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1kkd n SER 70 N -0.42 -6.35 -4.13 2.89 3.41 -1.26 -4.68 113.62 103.07 1kkd n SER 70 Ca 0.25 -0.47 -0.32 0.00 -0.26 0.00 0.00 58.87 58.07 1kkd n SER 70 Cb 0.80 -3.49 -0.09 0.00 -0.26 0.00 0.00 64.21 61.17 1kkd n SER 70 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1kkd n VAL 71 N -2.05 1.07 -3.97 -3.33 0.24 -1.26 -4.05 118.33 104.99 1kkd n VAL 71 Ca -0.15 -1.04 -0.40 0.00 -2.04 0.00 0.00 64.34 60.72 1kkd n VAL 71 Cb 0.60 -2.13 0.02 0.00 -1.47 0.00 0.00 33.84 30.85 1kkd n VAL 71 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1kkd n LYS 72 N 7.88 -0.64 -1.21 7.34 5.02 -1.26 -4.75 118.16 130.53 1kkd n LYS 72 Ca 0.46 0.29 -0.38 0.00 -2.02 0.00 0.00 58.31 56.65 1kkd n LYS 72 Cb 0.44 -2.62 0.01 0.00 -0.02 0.00 0.00 35.03 32.85 1kkd n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kkd n MET 73 N -4.36 0.00 -2.68 1.97 0.00 -1.26 -4.93 117.12 105.87 1kkd n MET 73 Ca -0.16 0.00 -0.15 0.00 0.00 0.00 0.00 57.70 57.40 1kkd n MET 73 Cb 0.60 -0.99 0.02 0.00 0.00 0.00 0.00 33.22 32.84 1kkd n MET 73 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1kkd n GLU 74 N 1.62 1.72 -0.86 3.17 0.28 -1.26 -5.11 120.64 120.19 1kkd n GLU 74 Ca 0.07 -3.60 -0.36 0.00 -0.16 0.00 0.00 57.16 53.11 1kkd n GLU 74 Cb 0.48 -1.55 0.09 0.00 1.43 0.00 0.00 31.44 31.89 1kkd n GLU 74 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1kkd n GLN 75 N -0.13 -0.59 -2.85 3.44 7.27 -1.26 -4.35 117.38 118.90 1kkd n GLN 75 Ca 0.18 -0.16 -0.02 0.00 0.07 0.00 0.00 57.00 57.07 1kkd n GLN 75 Cb 0.75 -1.34 0.00 0.00 2.41 0.00 0.00 30.24 32.07 1kkd n GLN 75 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1kkd n ARG 76 N 0.45 -2.71 -4.29 3.69 1.74 -1.26 -5.02 116.66 109.25 1kkd n ARG 76 Ca -0.00 2.29 -0.26 0.00 -0.77 0.00 0.00 57.85 59.11 1kkd n ARG 76 Cb 0.66 -4.43 -0.09 0.00 -1.02 0.00 0.00 32.46 27.58 1kkd n ARG 76 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1kkd s LYS 77 N -1.62 2.11 0.00 5.56 -0.14 -1.26 -4.97 119.74 119.42 1kkd s LYS 77 Ca 0.03 -1.29 0.00 0.00 -1.36 0.00 0.00 55.97 53.36 1kkd s LYS 77 Cb -0.01 -2.17 0.00 0.00 -1.68 0.00 0.00 37.83 33.98 1kkd s LYS 77 CO 0.63 0.42 0.00 1.47 -0.76 0.00 0.00 175.35 177.11 1kkd n LEU 78 N -0.11 0.00 -2.44 3.17 -0.00 -1.26 -4.60 117.00 111.77 1kkd n LEU 78 Ca -0.10 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.85 1kkd n LEU 78 Cb 0.56 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1kkd n LEU 78 CO 0.36 0.00 -0.07 0.59 -0.00 0.00 0.00 177.39 178.27 1kkd n ASN 79 N 1.55 -2.30 -0.07 1.45 3.02 -1.26 -4.78 115.26 112.88 1kkd n ASN 79 Ca 0.00 0.36 -0.11 0.00 -0.03 0.00 0.00 54.58 54.80 1kkd n ASN 79 Cb 0.00 -2.04 -0.09 0.00 -0.61 0.00 0.00 39.78 37.04 1kkd n ASN 79 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1kkd h ASP 80 N 0.00 0.00 -6.29 6.41 2.03 -2.02 -3.49 116.42 113.06 1kkd h ASP 80 Ca -0.13 -0.67 -0.32 0.00 -0.73 0.00 0.00 57.03 55.18 1kkd h ASP 80 Cb 1.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.58 1kkd h ASP 80 CO 0.16 0.90 -0.84 0.00 -1.03 0.00 0.00 179.24 178.43 1kkd n GLN 81 N -4.64 -1.66 -1.90 4.15 3.00 -1.26 -4.72 117.38 110.34 1kkd n GLN 81 Ca -0.09 1.18 -0.34 0.00 -0.01 0.00 0.00 57.00 57.74 1kkd n GLN 81 Cb 0.37 -3.26 -0.04 0.00 0.00 0.00 0.00 30.24 27.31 1kkd n GLN 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1kkd s ALA 82 N -2.63 1.86 -0.47 -1.58 0.00 -1.26 -4.71 121.76 112.97 1kkd s ALA 82 Ca 0.11 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.47 1kkd s ALA 82 Cb -0.02 -4.38 0.21 0.00 0.00 0.00 0.00 23.12 18.94 1kkd s ALA 82 CO 0.85 -4.33 0.67 -1.71 0.00 0.00 0.00 175.76 171.25 1kkd n ASN 83 N 14.09 -2.19 -3.67 0.00 5.15 -1.26 -5.01 115.26 122.37 1kkd n ASN 83 Ca 0.29 -2.90 -0.32 0.00 -0.60 0.00 0.00 54.58 51.05 1kkd n ASN 83 Cb 0.51 0.99 0.02 0.00 -0.53 0.00 0.00 39.78 40.77 1kkd n ASN 83 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1kkd n THR 84 N 2.30 -3.58 0.00 -0.44 5.66 -1.26 -4.72 114.28 112.23 1kkd n THR 84 Ca 0.18 0.03 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 1kkd n THR 84 Cb 0.56 -3.21 0.00 0.00 -1.55 0.00 0.00 70.33 66.14 1kkd n THR 84 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1kkd n LEU 85 N -1.48 0.00 -2.03 1.09 -0.00 -1.26 -4.95 117.00 108.37 1kkd n LEU 85 Ca -0.21 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.54 1kkd n LEU 85 Cb 0.69 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 44.20 1kkd n LEU 85 CO 0.60 0.00 0.86 1.33 -0.00 0.00 0.00 177.39 180.18 1kkd n VAL 86 N -0.62 3.04 0.00 1.47 0.24 -1.26 -4.77 118.33 116.42 1kkd n VAL 86 Ca 0.00 -3.32 0.00 0.00 -2.04 0.00 0.00 64.34 58.98 1kkd n VAL 86 Cb 0.00 -0.98 0.00 0.00 -1.47 0.00 0.00 33.84 31.39 1kkd n VAL 86 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1kkd n ASP 87 N -0.89 0.00 -2.17 -1.34 10.43 -1.26 -4.80 116.55 116.52 1kkd n ASP 87 Ca 0.51 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.87 1kkd n ASP 87 Cb 0.89 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.85 1kkd n ASP 87 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1kkd n LEU 88 N 0.00 0.00 -2.28 0.64 -0.00 -1.26 -0.14 117.00 113.95 1kkd n LEU 88 Ca 0.00 0.40 -0.00 0.00 -0.00 0.00 0.00 56.01 56.41 1kkd n LEU 88 Cb 0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 43.42 42.55 1kkd n LEU 88 CO 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 177.39 177.55 1kkd n ALA 89 N -2.14 -2.12 -0.62 1.47 0.00 -1.26 -4.00 120.51 111.85 1kkd n ALA 89 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1kkd n ALA 89 Cb 0.40 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.28 0.00 -3.04 0.00 4.76 0.80 -1.74 118.16 117.65 1kkd n LYS 90 Ca 0.01 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.29 1kkd n LYS 90 Cb 0.47 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.66 1kkd n LYS 90 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1kkd n THR 91 N 0.00 -0.20 -0.52 -0.18 -2.24 -1.26 -4.68 114.28 105.20 1kkd n THR 91 Ca 0.00 -3.51 0.00 0.00 -2.27 0.00 0.00 64.05 58.27 1kkd n THR 91 Cb 0.00 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1kkd n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50