#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 4.27 0.31 -0.14 2.20 -1.26 -4.94 119.74 120.17 1kkd s LYS 2 Ca 0.00 0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 1kkd s LYS 2 Cb 0.00 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 1kkd s LYS 2 CO 0.00 0.23 0.00 1.28 -0.36 0.00 0.00 175.35 176.50 1kkd n LEU 3 N 3.58 -0.61 -0.42 5.43 7.99 -1.26 -3.94 117.00 127.77 1kkd n LEU 3 Ca -0.11 1.37 -0.10 0.00 -0.01 0.00 0.00 56.01 57.15 1kkd n LEU 3 Cb 0.52 -3.72 -0.09 0.00 -0.11 0.00 0.00 43.42 40.02 1kkd n LEU 3 CO 0.40 -2.70 0.49 1.21 -1.51 0.00 0.00 177.39 175.28 1kkd n GLU 4 N -3.57 -0.42 0.00 3.23 2.13 -1.26 -4.75 120.64 116.01 1kkd n GLU 4 Ca -0.01 1.51 0.00 0.00 0.66 0.00 0.00 57.16 59.32 1kkd n GLU 4 Cb 0.64 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 30.12 1kkd n GLU 4 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1kkd n LEU 5 N -5.27 0.00 -3.54 4.31 7.94 -1.25 -5.12 117.00 114.06 1kkd n LEU 5 Ca 0.03 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.92 1kkd n LEU 5 Cb 0.27 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.17 1kkd n LEU 5 CO -0.16 0.00 0.63 0.28 -1.11 0.00 0.00 177.39 177.04 1kkd s THR 6 N 0.00 -0.25 0.13 1.96 -1.32 -1.26 -4.64 115.64 110.26 1kkd s THR 6 Ca 0.00 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.17 1kkd s THR 6 Cb 0.00 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.89 1kkd s THR 6 CO 0.00 0.00 1.67 -1.59 -2.21 0.00 0.00 174.62 172.49 1kkd s LYS 7 N 1.86 4.18 0.00 7.08 0.00 -1.26 -4.85 119.74 126.76 1kkd s LYS 7 Ca -0.06 2.43 0.00 0.00 0.00 0.00 0.00 55.97 58.34 1kkd s LYS 7 Cb -0.05 -3.40 0.00 0.00 0.00 0.00 0.00 37.83 34.39 1kkd s LYS 7 CO -0.16 -0.72 0.00 0.00 0.00 0.00 0.00 175.35 174.47 1kkd n ALA 8 N 4.91 0.00 -0.42 0.59 0.00 -1.26 -5.02 120.51 119.31 1kkd n ALA 8 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.47 1kkd n ALA 8 Cb 0.39 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.97 1kkd n ALA 8 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1kkd n GLU 9 N 0.00 2.02 -0.00 0.00 2.13 -1.26 -3.88 120.64 119.65 1kkd n GLU 9 Ca 0.00 -1.96 -0.01 0.00 0.66 0.00 0.00 57.16 55.85 1kkd n GLU 9 Cb 0.00 -1.79 -0.00 0.00 0.27 0.00 0.00 31.44 29.91 1kkd n GLU 9 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1kkd n LYS 10 N -0.45 0.02 -3.63 5.31 2.85 -1.26 -5.07 118.16 115.93 1kkd n LYS 10 Ca 0.36 0.01 -0.31 0.00 -1.05 0.00 0.00 58.31 57.32 1kkd n LYS 10 Cb 1.22 -0.92 0.02 0.00 -0.65 0.00 0.00 35.03 34.70 1kkd n LYS 10 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 1kkd n HIS 11 N -2.63 -2.39 -0.08 5.58 1.44 -1.25 -4.88 115.22 111.01 1kkd n HIS 11 Ca -0.02 0.99 0.00 0.00 -2.01 0.00 0.00 57.72 56.69 1kkd n HIS 11 Cb 0.52 -2.36 0.00 0.00 0.12 0.00 0.00 29.99 28.27 1kkd n HIS 11 CO 0.00 0.00 0.00 1.55 -2.81 0.00 0.00 176.34 175.08 1kkd n VAL 12 N -1.43 0.63 -1.29 0.61 3.14 -1.26 -4.76 118.33 113.96 1kkd n VAL 12 Ca -0.20 -0.77 -0.21 0.00 -2.96 0.00 0.00 64.34 60.19 1kkd n VAL 12 Cb 0.68 0.71 -0.10 0.00 -1.06 0.00 0.00 33.84 34.07 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 -0.31 0.97 -2.33 1.45 1.44 -1.26 -3.79 115.22 111.39 1kkd n HIS 13 Ca 0.00 -1.82 0.00 0.00 -2.01 0.00 0.00 57.72 53.89 1kkd n HIS 13 Cb 0.19 -1.53 0.00 0.00 0.12 0.00 0.00 29.99 28.77 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 1.69 0.00 -0.24 4.39 2.85 -1.26 -4.99 115.26 117.70 1kkd n ASN 14 Ca 0.48 0.00 0.32 0.00 -0.11 0.00 0.00 54.58 55.27 1kkd n ASN 14 Cb 0.69 0.00 0.72 0.00 1.24 0.00 0.00 39.78 42.43 1kkd n ASN 14 CO 0.00 0.00 0.00 2.19 -2.11 0.00 0.00 177.26 177.34 1kkd h PHE 15 N 0.00 0.00 -0.81 1.20 -0.00 -1.98 -2.19 116.94 113.16 1kkd h PHE 15 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.97 58.04 1kkd h PHE 15 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 35.95 35.85 1kkd h PHE 15 CO 0.00 0.00 -0.48 -1.33 -0.00 0.00 0.00 178.31 176.50 1kkd n MET 16 N -4.01 -0.36 0.00 6.09 2.81 -1.26 -4.73 117.12 115.66 1kkd n MET 16 Ca 0.22 1.34 0.00 0.00 -1.81 0.00 0.00 57.70 57.45 1kkd n MET 16 Cb 1.16 -1.98 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 1kkd n MET 16 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1kkd n MET 17 N -4.87 0.00 -2.82 0.03 0.00 -0.82 -5.12 117.12 103.52 1kkd n MET 17 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 57.70 57.68 1kkd n MET 17 Cb 0.21 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.44 1kkd n MET 17 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1kkd s ASP 18 N 0.00 -1.39 0.00 3.17 2.15 -1.26 -4.63 116.67 114.71 1kkd s ASP 18 Ca 0.00 -1.50 0.00 0.00 0.43 0.00 0.00 52.55 51.48 1kkd s ASP 18 Cb 0.00 1.81 0.00 0.00 -0.30 0.00 0.00 42.92 44.43 1kkd s ASP 18 CO 0.00 -0.07 0.00 1.07 -0.17 0.00 0.00 175.17 176.00 1kkd n THR 19 N 3.15 0.00 -2.87 1.71 5.66 -1.26 -5.00 114.28 115.68 1kkd n THR 19 Ca 0.16 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 61.04 1kkd n THR 19 Cb 0.57 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.36 1kkd n THR 19 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1kkd n GLN 20 N -0.58 1.07 -0.22 1.09 6.02 -1.26 -4.94 117.38 118.56 1kkd n GLN 20 Ca 0.00 -3.22 0.01 0.00 -0.01 0.00 0.00 57.00 53.78 1kkd n GLN 20 Cb 0.00 -1.37 0.08 0.00 1.02 0.00 0.00 30.24 29.97 1kkd n GLN 20 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1kkd h LEU 21 N 2.96 -0.50 1.83 1.08 3.38 -1.94 -3.44 115.31 118.69 1kkd h LEU 21 Ca -0.03 0.18 -0.21 0.00 0.09 0.00 0.00 57.88 57.91 1kkd h LEU 21 Cb 1.10 0.36 -0.04 0.00 0.09 0.00 0.00 40.66 42.18 1kkd h LEU 21 CO 0.47 -0.19 -0.29 1.07 0.09 0.00 0.00 178.44 179.59 1kkd n THR 22 N -5.39 -0.47 -0.59 0.22 5.66 -1.26 -4.88 114.28 107.58 1kkd n THR 22 Ca 0.09 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.80 1kkd n THR 22 Cb 0.35 -1.17 0.24 0.00 -1.55 0.00 0.00 70.33 68.20 1kkd n THR 22 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1kkd s LYS 23 N -5.31 -0.69 0.00 1.09 -2.85 -1.26 -5.03 119.74 105.69 1kkd s LYS 23 Ca 0.12 0.90 0.00 0.00 -1.00 0.00 0.00 55.97 55.99 1kkd s LYS 23 Cb -0.06 -1.58 0.00 0.00 -2.06 0.00 0.00 37.83 34.13 1kkd s LYS 23 CO 0.14 -3.59 0.00 -2.13 0.10 0.00 0.00 175.35 169.88 1kkd n ARG 24 N -4.83 1.85 -1.18 1.78 0.63 -1.26 -4.81 116.66 108.85 1kkd n ARG 24 Ca 0.04 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.79 1kkd n ARG 24 Cb 0.54 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.32 1kkd n ARG 24 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1kkd n VAL 25 N -0.15 3.20 -2.56 5.15 0.31 -1.26 -4.49 118.33 118.52 1kkd n VAL 25 Ca 0.00 -2.04 -0.06 0.00 -0.01 0.00 0.00 64.34 62.22 1kkd n VAL 25 Cb 0.00 -1.91 0.03 0.00 -0.91 0.00 0.00 33.84 31.05 1kkd n VAL 25 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1kkd n LYS 26 N 2.05 -2.40 -2.89 5.55 4.76 -1.26 -2.97 118.16 121.01 1kkd n LYS 26 Ca 0.47 0.30 -0.09 0.00 -2.87 0.00 0.00 58.31 56.12 1kkd n LYS 26 Cb 0.77 -3.68 -0.02 0.00 -1.84 0.00 0.00 35.03 30.26 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 -1.50 -1.16 0.01 4.39 5.15 -1.26 -4.68 115.26 116.21 1kkd n ASN 27 Ca -0.09 0.15 0.13 0.00 -0.60 0.00 0.00 54.58 54.17 1kkd n ASN 27 Cb 0.55 -1.11 0.54 0.00 -0.53 0.00 0.00 39.78 39.24 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 -2.79 2.19 0.01 5.20 0.00 -1.16 -3.15 120.51 120.81 1kkd n ALA 28 Ca 0.02 -0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.18 1kkd n ALA 28 Cb 0.49 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.37 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 2.86 0.05 -0.89 0.00 0.00 -1.84 -3.47 119.26 115.98 1kkd h ALA 29 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1kkd h ALA 29 Cb 0.46 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1kkd h ALA 29 CO 0.00 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.80 1kkd n ALA 30 N -2.84 0.00 -1.26 0.00 0.00 -1.19 0.10 120.51 115.32 1kkd n ALA 30 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1kkd n ALA 30 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.27 1kkd n ALA 30 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1kkd n ASN 31 N 1.71 0.18 -1.23 0.00 0.23 -1.26 -4.97 115.26 109.92 1kkd n ASN 31 Ca 0.00 -1.43 -0.15 0.00 -0.53 0.00 0.00 54.58 52.47 1kkd n ASN 31 Cb 0.00 -0.08 -0.06 0.00 -2.08 0.00 0.00 39.78 37.56 1kkd n ASN 31 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 1kkd n VAL 32 N -0.07 0.00 0.00 3.53 0.24 0.29 0.12 118.33 122.44 1kkd n VAL 32 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1kkd n VAL 32 Cb 0.55 -1.57 0.00 0.00 -1.47 0.00 0.00 33.84 31.36 1kkd n VAL 32 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1kkd n LEU 33 N -1.77 0.00 0.08 1.34 7.94 -1.26 -4.45 117.00 118.88 1kkd n LEU 33 Ca -0.15 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.63 1kkd n LEU 33 Cb 0.57 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.45 1kkd n LEU 33 CO 0.22 0.00 0.83 0.03 -1.11 0.00 0.00 177.39 177.36 1kkd h ARG 34 N 0.00 -0.14 -0.46 1.96 2.47 -1.94 -3.46 114.38 112.81 1kkd h ARG 34 Ca 0.00 0.01 -0.19 0.00 -1.26 0.00 0.00 59.98 58.54 1kkd h ARG 34 Cb 0.00 0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 28.28 1kkd h ARG 34 CO 0.00 -0.10 -0.17 0.39 0.56 0.00 0.00 179.97 180.65 1kkd n GLU 35 N -5.17 -0.64 -0.06 0.04 1.02 0.32 -4.81 120.64 111.33 1kkd n GLU 35 Ca -0.07 0.81 0.23 0.00 -0.02 0.00 0.00 57.16 58.11 1kkd n GLU 35 Cb 0.10 -4.70 0.70 0.00 -0.02 0.00 0.00 31.44 27.52 1kkd n GLU 35 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1kkd h THR 36 N 0.00 0.67 -0.49 2.62 1.35 -1.90 2.00 112.91 117.17 1kkd h THR 36 Ca -0.19 -0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.54 1kkd h THR 36 Cb 0.61 0.67 -0.08 0.00 -1.73 0.00 0.00 68.15 67.62 1kkd h THR 36 CO 0.27 0.00 0.17 0.79 -0.25 0.00 0.00 175.52 176.51 1kkd n TRP 37 N -4.34 1.63 0.00 4.73 7.02 -1.26 -2.86 117.44 122.36 1kkd n TRP 37 Ca 0.13 -0.84 0.00 0.00 -1.02 0.00 0.00 57.50 55.77 1kkd n TRP 37 Cb 0.73 -0.51 0.00 0.00 -2.42 0.00 0.00 31.31 29.11 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 0.02 0.00 -0.04 -0.99 4.32 0.50 -4.86 117.00 115.95 1kkd n LEU 38 Ca 0.27 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 56.15 1kkd n LEU 38 Cb 1.03 0.02 0.03 0.00 -1.62 0.00 0.00 43.42 42.89 1kkd n LEU 38 CO 0.29 -0.30 0.50 0.16 -1.22 0.00 0.00 177.39 176.82 1kkd h ILE 39 N 0.00 1.30 -2.42 -0.08 3.07 0.23 -3.49 117.51 116.12 1kkd h ILE 39 Ca 0.00 -1.71 0.26 0.00 1.55 0.00 0.00 64.86 64.96 1kkd h ILE 39 Cb 0.00 1.64 -0.08 0.00 -0.27 0.00 0.00 36.82 38.11 1kkd h ILE 39 CO 0.00 0.54 -0.50 -1.22 -1.05 0.00 0.00 178.15 175.93 1kkd n TYR 40 N -4.00 -2.49 -0.07 0.16 4.02 -1.13 -4.08 117.16 109.57 1kkd n TYR 40 Ca -0.03 1.28 -0.09 0.00 -0.01 0.00 0.00 57.90 59.05 1kkd n TYR 40 Cb 0.59 -2.26 -0.07 0.00 -0.02 0.00 0.00 39.34 37.57 1kkd n TYR 40 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1kkd h LYS 41 N -1.11 0.00 -3.39 -0.72 6.56 -1.95 -3.36 116.57 112.60 1kkd h LYS 41 Ca -0.02 0.00 -0.60 0.00 -1.06 0.00 0.00 60.65 58.96 1kkd h LYS 41 Cb 1.24 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.92 1kkd h LYS 41 CO 0.02 0.56 3.31 0.27 -2.06 0.00 0.00 179.45 181.56 1kkd n ASN 42 N -4.66 6.53 -4.82 0.86 0.23 -1.26 -4.91 115.26 107.24 1kkd n ASN 42 Ca -0.08 -2.56 -0.34 0.00 -0.53 0.00 0.00 54.58 51.07 1kkd n ASN 42 Cb 0.31 -1.43 -0.07 0.00 -2.08 0.00 0.00 39.78 36.51 1kkd n ASN 42 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1kkd s THR 43 N 2.86 4.37 0.00 5.53 -1.32 -1.26 -5.04 115.64 120.79 1kkd s THR 43 Ca 0.57 1.52 0.00 0.00 -1.21 0.00 0.00 61.69 62.58 1kkd s THR 43 Cb 0.15 -3.66 0.00 0.00 -1.51 0.00 0.00 72.50 67.48 1kkd s THR 43 CO -0.05 -0.25 0.00 0.29 -2.21 0.00 0.00 174.62 172.40 1kkd n LYS 44 N -0.47 0.00 -4.29 7.08 5.02 -1.26 -4.77 118.16 119.47 1kkd n LYS 44 Ca 0.06 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.05 1kkd n LYS 44 Cb 0.53 -0.27 -0.09 0.00 -0.02 0.00 0.00 35.03 35.18 1kkd n LYS 44 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1kkd n LEU 45 N 0.00 -1.07 -4.04 -0.35 4.77 -1.26 -4.65 117.00 110.40 1kkd n LEU 45 Ca 0.00 -1.26 -0.34 0.00 -0.03 0.00 0.00 56.01 54.38 1kkd n LEU 45 Cb 0.00 -1.64 -0.08 0.00 -2.33 0.00 0.00 43.42 39.36 1kkd n LEU 45 CO 0.00 0.46 1.62 1.33 -1.33 0.00 0.00 177.39 179.47 1kkd n VAL 46 N -4.57 1.13 -2.09 4.08 0.24 -1.26 -4.89 118.33 110.98 1kkd n VAL 46 Ca -0.32 -1.08 -0.39 0.00 -2.04 0.00 0.00 64.34 60.51 1kkd n VAL 46 Cb 0.70 -2.15 -0.00 0.00 -1.47 0.00 0.00 33.84 30.92 1kkd n VAL 46 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1kkd s LYS 47 N 6.49 3.79 0.14 7.34 0.00 -1.26 -4.93 119.74 131.31 1kkd s LYS 47 Ca 0.67 2.04 -0.31 0.00 0.00 0.00 0.00 55.97 58.37 1kkd s LYS 47 Cb 0.07 -2.58 -0.09 0.00 0.00 0.00 0.00 37.83 35.22 1kkd s LYS 47 CO 0.19 -0.60 1.56 -1.59 0.00 0.00 0.00 175.35 174.90 1kkd s LYS 48 N -2.47 4.23 1.01 1.78 -2.85 -1.26 -4.94 119.74 115.24 1kkd s LYS 48 Ca 0.61 2.31 -0.19 0.00 -1.00 0.00 0.00 55.97 57.71 1kkd s LYS 48 Cb -0.35 -3.25 -0.05 0.00 -2.06 0.00 0.00 37.83 32.11 1kkd s LYS 48 CO 0.44 -0.61 -0.47 -0.89 0.10 0.00 0.00 175.35 173.93 1kkd n ILE 49 N 4.11 0.00 -2.71 3.79 2.08 -1.26 -4.39 119.36 120.98 1kkd n ILE 49 Ca 0.14 -0.27 -0.04 0.00 0.56 0.00 0.00 62.75 63.14 1kkd n ILE 49 Cb 0.39 -0.30 -0.04 0.00 -0.75 0.00 0.00 39.64 38.95 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 1.07 -2.27 0.00 4.38 8.00 -1.26 -5.02 116.55 121.45 1kkd n ASP 50 Ca 0.01 1.27 0.00 0.00 0.71 0.00 0.00 54.79 56.78 1kkd n ASP 50 Cb 0.61 -4.35 0.00 0.00 -0.02 0.00 0.00 41.12 37.36 1kkd n ASP 50 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1kkd n HIS 51 N 1.94 0.00 -3.50 1.24 8.25 -1.26 -5.12 115.22 116.77 1kkd n HIS 51 Ca -0.32 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.06 1kkd n HIS 51 Cb 0.49 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.57 1kkd n HIS 51 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kkd s ALA 52 N -4.02 -1.80 -0.38 -1.41 0.00 -1.26 -5.07 121.76 107.82 1kkd s ALA 52 Ca 0.00 0.94 0.11 0.00 0.00 0.00 0.00 51.96 53.01 1kkd s ALA 52 Cb 0.00 0.47 0.44 0.00 0.00 0.00 0.00 23.12 24.03 1kkd s ALA 52 CO 0.00 -0.70 1.03 0.36 0.00 0.00 0.00 175.76 176.45 1kkd n LYS 53 N -0.26 2.34 -2.40 0.00 2.85 -1.26 -4.92 118.16 114.50 1kkd n LYS 53 Ca -0.10 -3.91 -0.40 0.00 -1.05 0.00 0.00 58.31 52.85 1kkd n LYS 53 Cb 0.62 -1.77 0.01 0.00 -0.65 0.00 0.00 35.03 33.24 1kkd n LYS 53 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1kkd n VAL 54 N -0.28 5.74 -3.88 0.58 0.24 -1.26 -4.82 118.33 114.65 1kkd n VAL 54 Ca 0.25 -5.39 -0.29 0.00 -2.04 0.00 0.00 64.34 56.86 1kkd n VAL 54 Cb 0.73 -1.70 -0.12 0.00 -1.47 0.00 0.00 33.84 31.29 1kkd n VAL 54 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1kkd s ARG 55 N -3.33 2.43 -0.37 7.34 6.06 -1.26 -4.97 118.95 124.85 1kkd s ARG 55 Ca 0.44 -3.17 0.02 0.00 -2.50 0.00 0.00 55.73 50.52 1kkd s ARG 55 Cb 0.20 -3.46 0.15 0.00 0.06 0.00 0.00 34.95 31.90 1kkd s ARG 55 CO -0.13 -1.24 0.28 -1.59 -2.50 0.00 0.00 175.30 170.11 1kkd s LYS 56 N -1.16 0.67 0.00 5.12 -2.85 -1.26 -5.07 119.74 115.18 1kkd s LYS 56 Ca 0.23 -1.51 0.00 0.00 -1.00 0.00 0.00 55.97 53.69 1kkd s LYS 56 Cb -0.10 -1.25 0.00 0.00 -2.06 0.00 0.00 37.83 34.42 1kkd s LYS 56 CO -0.12 -1.27 0.00 -2.39 0.10 0.00 0.00 175.35 171.67 1kkd n HIS 57 N 3.68 0.00 -3.54 1.78 1.44 -1.26 -5.01 115.22 112.31 1kkd n HIS 57 Ca 0.17 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.52 1kkd n HIS 57 Cb 0.41 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.56 1kkd n HIS 57 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 1kkd n GLN 58 N 0.00 -1.89 -1.77 -1.40 7.27 -1.26 -4.92 117.38 113.41 1kkd n GLN 58 Ca 0.00 1.35 -0.30 0.00 0.07 0.00 0.00 57.00 58.12 1kkd n GLN 58 Cb 0.00 -2.16 0.08 0.00 2.41 0.00 0.00 30.24 30.57 1kkd n GLN 58 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1kkd s ARG 59 N -2.82 2.21 0.37 3.69 0.52 -1.26 -5.09 118.95 116.57 1kkd s ARG 59 Ca 0.33 0.38 -0.12 0.00 -0.52 0.00 0.00 55.73 55.79 1kkd s ARG 59 Cb -0.03 -1.95 0.04 0.00 0.52 0.00 0.00 34.95 33.52 1kkd s ARG 59 CO 0.88 -1.48 0.70 -1.59 0.02 0.00 0.00 175.30 173.83 1kkd s LYS 60 N -5.37 2.13 -0.29 3.54 0.00 -1.26 -5.18 119.74 113.31 1kkd s LYS 60 Ca 0.61 -1.51 -0.18 0.00 0.00 0.00 0.00 55.97 54.88 1kkd s LYS 60 Cb -0.12 0.57 0.18 0.00 0.00 0.00 0.00 37.83 38.46 1kkd s LYS 60 CO 0.52 -0.97 1.16 -0.59 0.00 0.00 0.00 175.35 175.47 1kkd s PHE 61 N -2.58 -0.28 0.12 1.78 -0.71 -1.26 -5.18 117.98 109.87 1kkd s PHE 61 Ca 0.20 0.58 -0.26 0.00 -1.04 0.00 0.00 56.93 56.40 1kkd s PHE 61 Cb -0.04 0.22 0.07 0.00 -1.21 0.00 0.00 43.02 42.07 1kkd s PHE 61 CO 0.14 -0.14 1.02 -0.48 -1.34 0.00 0.00 175.22 174.42 1kkd s LEU 62 N 0.98 -0.16 1.05 -1.99 0.05 -1.26 -5.16 118.68 112.19 1kkd s LEU 62 Ca -0.06 -0.35 -0.23 0.00 0.05 0.00 0.00 54.13 53.54 1kkd s LEU 62 Cb -0.03 2.02 -0.06 0.00 -2.05 0.00 0.00 46.19 46.07 1kkd s LEU 62 CO -0.12 -0.79 -0.82 0.00 -0.55 0.00 0.00 176.35 174.07 1kkd n GLN 63 N -0.47 -0.68 -0.55 1.48 10.64 -1.26 -4.95 117.38 121.58 1kkd n GLN 63 Ca -0.06 -0.19 -0.00 0.00 -1.83 0.00 0.00 57.00 54.91 1kkd n GLN 63 Cb 0.61 -1.32 -0.00 0.00 -0.86 0.00 0.00 30.24 28.67 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 -3.84 2.07 0.40 2.61 0.00 -1.26 -4.85 120.51 115.64 1kkd n ALA 64 Ca -0.01 -0.59 0.08 0.00 0.00 0.00 0.00 53.44 52.92 1kkd n ALA 64 Cb 0.69 -0.28 0.36 0.00 0.00 0.00 0.00 19.45 20.21 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 0.02 1.03 0.00 0.00 -5.35 -1.26 -4.82 119.36 108.98 1kkd n ILE 65 Ca -0.01 0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.76 1kkd n ILE 65 Cb 0.63 -1.14 0.00 0.00 -1.74 0.00 0.00 39.64 37.39 1kkd n ILE 65 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1kkd n HIS 66 N -1.79 0.00 -4.02 4.28 8.25 -1.26 -4.10 115.22 116.58 1kkd n HIS 66 Ca 0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.14 1kkd n HIS 66 Cb 0.17 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 1kkd n HIS 66 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1kkd s GLN 67 N 0.00 3.26 -0.08 -0.41 -1.52 -1.26 -5.04 119.66 114.61 1kkd s GLN 67 Ca 0.00 -0.34 -0.05 0.00 -1.95 0.00 0.00 55.36 53.03 1kkd s GLN 67 Cb 0.00 -3.01 -0.02 0.00 -0.22 0.00 0.00 33.01 29.77 1kkd s GLN 67 CO 0.00 0.70 -0.09 -0.07 -0.25 0.00 0.00 175.29 175.57 1kkd h LEU 68 N 4.37 0.00 -1.20 2.90 3.38 -2.02 -3.51 115.31 119.23 1kkd h LEU 68 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1kkd h LEU 68 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1kkd h LEU 68 CO 0.62 0.43 -0.78 0.54 0.09 0.00 0.00 178.44 179.35 1kkd n ARG 69 N -3.68 -4.41 -3.39 1.13 3.00 -1.26 -5.05 116.66 103.00 1kkd n ARG 69 Ca -0.04 3.20 -0.05 0.00 -0.01 0.00 0.00 57.85 60.95 1kkd n ARG 69 Cb 0.14 -3.42 -0.06 0.00 0.00 0.00 0.00 32.46 29.11 1kkd n ARG 69 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1kkd s SER 70 N -1.10 -0.39 0.59 0.55 0.01 -1.26 -4.99 113.70 107.11 1kkd s SER 70 Ca 0.00 0.67 0.30 0.00 1.31 0.00 0.00 55.95 58.22 1kkd s SER 70 Cb 0.00 1.53 1.25 0.00 0.21 0.00 0.00 66.02 69.01 1kkd s SER 70 CO 0.00 -0.27 1.61 1.62 0.41 0.00 0.00 173.24 176.61 1kkd h VAL 71 N 6.12 0.18 0.00 3.43 3.04 -2.08 -3.43 116.25 123.50 1kkd h VAL 71 Ca -0.19 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 1kkd h VAL 71 Cb 1.14 0.29 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 1kkd h VAL 71 CO 0.22 0.00 0.00 2.29 -1.01 0.00 0.00 177.57 179.07 1kkd n LYS 72 N -3.53 0.00 -1.71 4.17 2.85 -1.26 -4.93 118.16 113.74 1kkd n LYS 72 Ca 0.18 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.44 1kkd n LYS 72 Cb 1.17 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.55 1kkd n LYS 72 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1kkd n MET 73 N 9.55 -4.88 -2.04 -1.58 2.81 -1.26 -4.77 117.12 114.95 1kkd n MET 73 Ca 0.00 3.60 -0.42 0.00 -1.81 0.00 0.00 57.70 59.07 1kkd n MET 73 Cb 0.00 -4.02 -0.03 0.00 -0.71 0.00 0.00 33.22 28.46 1kkd n MET 73 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1kkd s GLU 74 N -3.23 4.22 0.93 0.03 8.01 -1.26 -4.95 118.70 122.45 1kkd s GLU 74 Ca 0.00 2.17 -0.15 0.00 0.01 0.00 0.00 54.97 57.00 1kkd s GLU 74 Cb 0.00 -3.73 -0.05 0.00 -4.31 0.00 0.00 34.13 26.04 1kkd s GLU 74 CO 0.00 -0.73 -0.07 0.00 0.01 0.00 0.00 175.26 174.47 1kkd n GLN 75 N 6.09 -0.11 -2.70 1.61 10.64 -1.26 -4.97 117.38 126.68 1kkd n GLN 75 Ca 0.16 -0.01 -0.07 0.00 -1.83 0.00 0.00 57.00 55.25 1kkd n GLN 75 Cb 0.42 -1.49 0.09 0.00 -0.86 0.00 0.00 30.24 28.40 1kkd n GLN 75 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 1kkd n ARG 76 N 0.15 0.80 -1.20 2.61 1.85 -1.26 -4.98 116.66 114.63 1kkd n ARG 76 Ca 0.04 -1.53 -0.27 0.00 -1.00 0.00 0.00 57.85 55.09 1kkd n ARG 76 Cb 0.54 -0.49 0.13 0.00 -1.05 0.00 0.00 32.46 31.58 1kkd n ARG 76 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1kkd n LYS 77 N 0.04 2.34 -0.96 2.89 2.85 -1.26 -5.01 118.16 119.05 1kkd n LYS 77 Ca -0.02 -2.93 -0.32 0.00 -1.05 0.00 0.00 58.31 53.99 1kkd n LYS 77 Cb 0.74 -2.15 0.02 0.00 -0.65 0.00 0.00 35.03 32.99 1kkd n LYS 77 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1kkd n LEU 78 N -0.93 -3.90 -0.74 -5.58 4.32 -1.26 -4.85 117.00 104.06 1kkd n LEU 78 Ca 0.57 0.39 0.10 0.00 -0.02 0.00 0.00 56.01 57.05 1kkd n LEU 78 Cb 1.21 -0.68 0.07 0.00 -1.62 0.00 0.00 43.42 42.40 1kkd n LEU 78 CO 0.65 -4.45 0.53 0.59 -1.22 0.00 0.00 177.39 173.48 1kkd n ASN 79 N 2.44 2.53 -3.25 -1.43 4.13 -1.26 -4.76 115.26 113.67 1kkd n ASN 79 Ca 0.03 -1.76 -0.04 0.00 1.68 0.00 0.00 54.58 54.49 1kkd n ASN 79 Cb 0.43 0.05 -0.03 0.00 -1.54 0.00 0.00 39.78 38.69 1kkd n ASN 79 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1kkd s ASP 80 N -1.68 -0.70 -0.89 6.41 2.15 -1.26 -5.09 116.67 115.62 1kkd s ASP 80 Ca 0.22 -0.77 -0.13 0.00 0.43 0.00 0.00 52.55 52.30 1kkd s ASP 80 Cb 0.16 1.55 0.23 0.00 -0.30 0.00 0.00 42.92 44.56 1kkd s ASP 80 CO 0.27 -0.23 0.84 -1.10 -0.17 0.00 0.00 175.17 174.78 1kkd s GLN 81 N 1.99 3.74 -0.56 4.34 -0.21 -1.26 -4.89 119.66 122.81 1kkd s GLN 81 Ca 0.14 -2.62 0.07 0.00 0.02 0.00 0.00 55.36 52.97 1kkd s GLN 81 Cb -0.09 -4.46 0.30 0.00 1.00 0.00 0.00 33.01 29.76 1kkd s GLN 81 CO -0.12 -1.28 0.80 0.00 -2.12 0.00 0.00 175.29 172.57 1kkd n ALA 82 N 3.71 3.90 -3.41 6.09 0.00 -1.26 -4.99 120.51 124.56 1kkd n ALA 82 Ca 0.16 -4.44 -0.44 0.00 0.00 0.00 0.00 53.44 48.73 1kkd n ALA 82 Cb 0.45 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.75 6.83 0.05 0.00 4.22 -1.26 -4.83 114.94 117.21 1kkd s ASN 83 Ca 0.43 -3.31 -0.15 0.00 -2.14 0.00 0.00 52.86 47.69 1kkd s ASN 83 Cb 0.23 -2.14 -0.28 0.00 1.28 0.00 0.00 41.25 40.34 1kkd s ASN 83 CO -0.08 -0.36 1.11 0.74 -2.04 0.00 0.00 177.10 176.47 1kkd h THR 84 N 4.15 1.30 0.00 0.54 2.02 -1.99 -3.46 112.91 115.47 1kkd h THR 84 Ca 0.14 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 64.94 1kkd h THR 84 Cb 0.92 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.98 1kkd h THR 84 CO 0.89 0.72 0.00 0.00 0.37 0.00 0.00 175.52 177.51 1kkd n LEU 85 N -3.86 0.00 -2.78 2.58 -0.00 -1.26 -5.07 117.00 106.61 1kkd n LEU 85 Ca -0.13 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.78 1kkd n LEU 85 Cb 0.93 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 44.42 1kkd n LEU 85 CO 0.56 0.00 0.24 0.55 -0.00 0.00 0.00 177.39 178.74 1kkd n VAL 86 N 0.00 -0.03 -2.81 1.47 3.14 -1.26 -5.07 118.33 113.77 1kkd n VAL 86 Ca 0.00 -1.75 -0.43 0.00 -2.96 0.00 0.00 64.34 59.20 1kkd n VAL 86 Cb 0.00 1.28 -0.02 0.00 -1.06 0.00 0.00 33.84 34.05 1kkd n VAL 86 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 1kkd s ASP 87 N -1.49 6.76 -0.06 6.55 3.84 -1.26 -4.75 116.67 126.25 1kkd s ASP 87 Ca 0.27 -2.25 0.09 0.00 -0.00 0.00 0.00 52.55 50.66 1kkd s ASP 87 Cb 0.27 -2.46 0.36 0.00 -1.38 0.00 0.00 42.92 39.71 1kkd s ASP 87 CO -0.13 -1.08 1.18 0.00 -0.00 0.00 0.00 175.17 175.14 1kkd n LEU 88 N 7.04 2.66 -1.53 2.11 -0.00 -1.26 -4.90 117.00 121.12 1kkd n LEU 88 Ca 0.33 -1.34 -0.00 0.00 -0.00 0.00 0.00 56.01 55.00 1kkd n LEU 88 Cb 0.47 -0.43 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 1kkd n LEU 88 CO 0.61 0.46 -0.01 0.00 -0.00 0.00 0.00 177.39 178.45 1kkd n ALA 89 N 0.42 -3.01 0.00 1.47 0.00 -1.26 -5.04 120.51 113.09 1kkd n ALA 89 Ca 0.13 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1kkd n ALA 89 Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1kkd n ALA 89 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1kkd n LYS 90 N -0.22 0.00 -3.02 0.00 2.85 -1.26 -4.97 118.16 111.54 1kkd n LYS 90 Ca 0.00 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.92 1kkd n LYS 90 Cb 0.01 -0.06 -0.03 0.00 -0.65 0.00 0.00 35.03 34.29 1kkd n LYS 90 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1kkd n THR 91 N -2.15 4.07 -0.63 0.58 -2.24 -1.26 -5.26 114.28 107.40 1kkd n THR 91 Ca 0.00 -5.66 0.00 0.00 -2.27 0.00 0.00 64.05 56.12 1kkd n THR 91 Cb 0.00 -1.77 0.00 0.00 -2.10 0.00 0.00 70.33 66.46 1kkd n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50