#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkd n LYS 2 N 0.00 -0.72 -3.38 -0.14 4.81 -1.26 -4.99 118.16 112.48 1kkd n LYS 2 Ca 0.00 0.54 -0.22 0.00 -0.87 0.00 0.00 58.31 57.76 1kkd n LYS 2 Cb 0.00 -0.86 0.03 0.00 0.02 0.00 0.00 35.03 34.22 1kkd n LYS 2 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1kkd s LEU 3 N -5.51 3.01 0.50 3.14 1.43 -1.26 -5.14 118.68 114.85 1kkd s LEU 3 Ca 0.00 -0.96 0.08 0.00 -1.03 0.00 0.00 54.13 52.22 1kkd s LEU 3 Cb 0.00 -1.55 0.04 0.00 0.03 0.00 0.00 46.19 44.70 1kkd s LEU 3 CO 0.00 -1.18 0.58 -1.61 0.23 0.00 0.00 176.35 174.37 1kkd s GLU 4 N -4.47 2.45 1.42 1.70 2.02 -1.26 -5.11 118.70 115.45 1kkd s GLU 4 Ca 0.50 -1.62 -0.23 0.00 0.02 0.00 0.00 54.97 53.64 1kkd s GLU 4 Cb -0.04 -2.49 0.37 0.00 0.10 0.00 0.00 34.13 32.06 1kkd s GLU 4 CO 0.31 -0.55 0.93 -0.51 0.02 0.00 0.00 175.26 175.46 1kkd s LEU 5 N -4.41 -1.11 -0.31 1.80 2.01 -1.26 -4.96 118.68 110.45 1kkd s LEU 5 Ca 0.51 0.87 -0.15 0.00 0.01 0.00 0.00 54.13 55.37 1kkd s LEU 5 Cb -0.05 -2.29 -0.02 0.00 0.01 0.00 0.00 46.19 43.83 1kkd s LEU 5 CO 0.32 -5.38 0.35 0.28 1.01 0.00 0.00 176.35 172.93 1kkd s THR 6 N -2.27 5.18 0.36 5.49 -1.32 -1.26 -5.07 115.64 116.74 1kkd s THR 6 Ca 0.69 0.24 -0.06 0.00 -1.21 0.00 0.00 61.69 61.35 1kkd s THR 6 Cb -0.13 -3.76 0.09 0.00 -1.51 0.00 0.00 72.50 67.19 1kkd s THR 6 CO 0.58 0.02 0.24 2.29 -2.21 0.00 0.00 174.62 175.54 1kkd n LYS 7 N 5.35 -2.35 -1.13 7.08 2.85 -1.26 -4.90 118.16 123.79 1kkd n LYS 7 Ca -0.09 -0.40 -0.36 0.00 -1.05 0.00 0.00 58.31 56.41 1kkd n LYS 7 Cb 0.50 -0.46 0.06 0.00 -0.65 0.00 0.00 35.03 34.48 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 -3.64 -2.94 -3.46 0.58 0.00 -1.26 -4.97 120.51 104.81 1kkd n ALA 8 Ca -0.05 -0.36 -0.29 0.00 0.00 0.00 0.00 53.44 52.74 1kkd n ALA 8 Cb 0.15 -1.58 -0.12 0.00 0.00 0.00 0.00 19.45 17.90 1kkd n ALA 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1kkd s GLU 9 N -2.33 0.54 -0.12 0.00 0.41 -1.26 -4.87 118.70 111.06 1kkd s GLU 9 Ca 0.56 -1.31 -0.02 0.00 -0.41 0.00 0.00 54.97 53.80 1kkd s GLU 9 Cb -0.32 -1.29 0.02 0.00 -1.78 0.00 0.00 34.13 30.75 1kkd s GLU 9 CO 0.67 -1.21 0.04 1.63 -0.49 0.00 0.00 175.26 175.90 1kkd n LYS 10 N 4.07 -2.72 -2.23 1.61 5.02 -1.26 -4.71 118.16 117.94 1kkd n LYS 10 Ca 0.12 0.01 -0.32 0.00 -2.02 0.00 0.00 58.31 56.10 1kkd n LYS 10 Cb 0.37 -4.22 -0.04 0.00 -0.02 0.00 0.00 35.03 31.12 1kkd n LYS 10 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1kkd s HIS 11 N -1.95 2.06 0.00 2.13 3.76 -1.26 -4.51 115.29 115.51 1kkd s HIS 11 Ca 0.05 0.12 0.00 0.00 -0.15 0.00 0.00 55.06 55.09 1kkd s HIS 11 Cb -0.03 -4.27 0.00 0.00 1.11 0.00 0.00 32.58 29.39 1kkd s HIS 11 CO 0.07 -1.82 0.64 1.55 -0.85 0.00 0.00 174.74 174.33 1kkd n VAL 12 N 7.52 0.41 -2.12 -0.90 3.14 -1.26 -5.05 118.33 120.07 1kkd n VAL 12 Ca 0.37 -0.52 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 1kkd n VAL 12 Cb 0.48 0.92 0.00 0.00 -1.06 0.00 0.00 33.84 34.18 1kkd n VAL 12 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1kkd n HIS 13 N -0.21 -0.15 -4.40 1.45 8.25 -1.26 -4.65 115.22 114.25 1kkd n HIS 13 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1kkd n HIS 13 Cb 0.26 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.29 1kkd n HIS 13 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1kkd n ASN 14 N -0.15 -0.47 0.00 0.41 6.94 -1.26 -4.72 115.26 116.01 1kkd n ASN 14 Ca 0.00 -1.25 0.00 0.00 -0.02 0.00 0.00 54.58 53.31 1kkd n ASN 14 Cb 0.00 -1.69 0.00 0.00 -2.36 0.00 0.00 39.78 35.73 1kkd n ASN 14 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1kkd n PHE 15 N -4.34 0.00 -0.32 -2.53 3.72 -1.26 -4.63 117.46 108.10 1kkd n PHE 15 Ca -0.12 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.20 1kkd n PHE 15 Cb 0.58 0.17 -0.08 0.00 -0.94 0.00 0.00 39.48 39.22 1kkd n PHE 15 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1kkd n MET 16 N -2.52 -0.34 0.04 -1.08 2.81 -1.26 -4.33 117.12 110.45 1kkd n MET 16 Ca 0.00 1.29 0.00 0.00 -1.81 0.00 0.00 57.70 57.18 1kkd n MET 16 Cb 0.25 -1.89 0.00 0.00 -0.71 0.00 0.00 33.22 30.86 1kkd n MET 16 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1kkd n MET 17 N -4.79 0.00 -1.03 0.03 2.81 -1.26 -5.08 117.12 107.81 1kkd n MET 17 Ca 0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1kkd n MET 17 Cb 0.20 -0.48 0.00 0.00 -0.71 0.00 0.00 33.22 32.23 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 -3.35 -4.65 -4.09 7.83 4.64 -1.26 -4.65 116.55 111.01 1kkd n ASP 18 Ca 0.00 0.52 -0.37 0.00 -1.38 0.00 0.00 54.79 53.56 1kkd n ASP 18 Cb 0.13 -2.33 -0.02 0.00 -1.04 0.00 0.00 41.12 37.86 1kkd n ASP 18 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1kkd n THR 19 N 0.58 -1.78 0.00 5.18 -2.24 -1.26 -4.51 114.28 110.26 1kkd n THR 19 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1kkd n THR 19 Cb 0.00 -1.56 0.00 0.00 -2.10 0.00 0.00 70.33 66.67 1kkd n THR 19 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1kkd n GLN 20 N -4.50 0.00 -0.19 -0.78 7.27 -1.26 -4.98 117.38 112.94 1kkd n GLN 20 Ca -0.17 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.81 1kkd n GLN 20 Cb 0.55 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.16 1kkd n GLN 20 CO 0.00 0.00 0.00 1.37 0.07 0.00 0.00 177.06 178.50 1kkd h LEU 21 N 0.00 -1.47 1.91 1.69 8.10 -1.88 -3.43 115.31 120.24 1kkd h LEU 21 Ca 0.00 0.24 -0.02 0.00 0.11 0.00 0.00 57.88 58.21 1kkd h LEU 21 Cb 0.00 0.66 -0.00 0.00 -0.44 0.00 0.00 40.66 40.88 1kkd h LEU 21 CO 0.00 -0.34 -0.02 1.07 -4.11 0.00 0.00 178.44 175.04 1kkd n THR 22 N -5.41 -0.03 -3.95 0.15 5.66 -1.26 -4.82 114.28 104.61 1kkd n THR 22 Ca 0.01 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.93 1kkd n THR 22 Cb 0.35 -0.10 -0.08 0.00 -1.55 0.00 0.00 70.33 68.94 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 -4.65 0.79 0.09 1.09 -2.85 -1.26 -5.12 119.74 107.84 1kkd s LYS 23 Ca 0.00 -1.08 0.03 0.00 -1.00 0.00 0.00 55.97 53.92 1kkd s LYS 23 Cb 0.00 0.30 -0.04 0.00 -2.06 0.00 0.00 37.83 36.03 1kkd s LYS 23 CO 0.00 -0.23 -0.10 -0.98 0.10 0.00 0.00 175.35 174.15 1kkd s ARG 24 N -3.90 0.83 -0.86 1.78 3.03 -1.26 -4.89 118.95 113.68 1kkd s ARG 24 Ca 0.07 -1.15 -0.05 0.00 2.03 0.00 0.00 55.73 56.63 1kkd s ARG 24 Cb 0.06 -0.49 0.01 0.00 -1.03 0.00 0.00 34.95 33.50 1kkd s ARG 24 CO -0.09 0.07 0.59 1.55 -1.13 0.00 0.00 175.30 176.29 1kkd n VAL 25 N 0.55 -3.01 0.00 4.99 3.14 -1.26 0.19 118.33 122.94 1kkd n VAL 25 Ca -0.16 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.13 1kkd n VAL 25 Cb 0.58 -2.66 0.00 0.00 -1.06 0.00 0.00 33.84 30.70 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 -2.93 0.00 -1.75 1.45 4.01 -1.26 -1.94 118.16 115.74 1kkd n LYS 26 Ca -0.29 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.50 1kkd n LYS 26 Cb 0.65 0.00 0.04 0.00 -0.51 0.00 0.00 35.03 35.21 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 2.43 -0.66 0.00 4.39 3.02 -0.38 -4.88 115.26 119.17 1kkd n ASN 27 Ca 0.00 -1.45 0.00 0.00 -0.03 0.00 0.00 54.58 53.10 1kkd n ASN 27 Cb 0.00 0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 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 -0.58 0.00 0.00 5.41 0.00 0.50 -3.95 120.51 121.89 1kkd n ALA 28 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1kkd n ALA 28 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.18 0.00 -0.80 0.00 0.00 -1.19 -5.01 120.51 113.33 1kkd n ALA 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1kkd n ALA 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.86 0.00 -1.26 0.00 0.00 -1.25 0.63 120.51 116.76 1kkd n ALA 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1kkd n ALA 30 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 1.94 0.18 0.00 0.00 3.02 -1.26 -4.96 115.26 114.18 1kkd n ASN 31 Ca 0.00 -1.43 0.00 0.00 -0.03 0.00 0.00 54.58 53.12 1kkd n ASN 31 Cb 0.00 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 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 -0.07 0.00 0.00 2.41 0.24 0.20 0.57 118.33 121.68 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 -0.72 0.00 0.00 -1.47 0.00 0.00 33.84 32.20 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 0.00 0.00 -0.18 1.34 7.94 -1.26 -4.55 117.00 120.29 1kkd n LEU 33 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 1kkd n LEU 33 Cb 0.36 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.31 1kkd n LEU 33 CO 0.00 0.00 0.85 0.03 -1.11 0.00 0.00 177.39 177.16 1kkd h ARG 34 N 0.00 0.86 -4.87 1.96 2.47 -1.94 -3.46 114.38 109.39 1kkd h ARG 34 Ca 0.00 -0.24 -0.40 0.00 -1.26 0.00 0.00 59.98 58.08 1kkd h ARG 34 Cb 0.00 -0.10 0.04 0.00 -1.65 0.00 0.00 29.97 28.26 1kkd h ARG 34 CO 0.00 0.86 -0.61 0.39 0.56 0.00 0.00 179.97 181.16 1kkd n GLU 35 N -4.38 -4.99 0.18 0.04 4.71 0.19 -4.85 120.64 111.54 1kkd n GLU 35 Ca 0.01 0.81 0.06 0.00 -0.01 0.00 0.00 57.16 58.03 1kkd n GLU 35 Cb 0.27 -5.67 0.27 0.00 -1.01 0.00 0.00 31.44 25.30 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 -1.48 0.79 -0.01 2.62 1.35 -1.91 -2.12 112.91 112.16 1kkd h THR 36 Ca -0.52 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 63.71 1kkd h THR 36 Cb 1.35 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 69.81 1kkd h THR 36 CO 0.57 0.37 -0.33 0.79 -0.25 0.00 0.00 175.52 176.67 1kkd n TRP 37 N -3.40 0.00 0.00 4.73 7.02 -1.26 -3.33 117.44 121.20 1kkd n TRP 37 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 1kkd n TRP 37 Cb 0.56 -0.08 -0.11 0.00 -2.42 0.00 0.00 31.31 29.26 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 -0.42 0.55 0.08 -0.99 7.99 -0.91 -4.12 117.00 119.18 1kkd n LEU 38 Ca 0.11 0.24 -0.17 0.00 -0.01 0.00 0.00 56.01 56.19 1kkd n LEU 38 Cb 0.39 0.14 -0.14 0.00 -0.11 0.00 0.00 43.42 43.70 1kkd n LEU 38 CO 0.27 0.18 -0.20 0.16 -1.51 0.00 0.00 177.39 176.29 1kkd h ILE 39 N 0.00 1.32 -4.71 -0.08 3.07 -1.48 -3.50 117.51 112.13 1kkd h ILE 39 Ca -0.21 -2.92 0.00 0.00 1.55 0.00 0.00 64.86 63.28 1kkd h ILE 39 Cb 1.60 2.85 -0.02 0.00 -0.27 0.00 0.00 36.82 40.99 1kkd h ILE 39 CO 0.03 0.85 -0.91 -1.22 -1.05 0.00 0.00 178.15 175.86 1kkd n TYR 40 N -3.49 -4.03 -0.11 0.16 4.01 -1.21 -4.65 117.16 107.83 1kkd n TYR 40 Ca -0.13 2.39 0.27 0.00 -0.16 0.00 0.00 57.90 60.28 1kkd n TYR 40 Cb 1.04 -3.40 0.67 0.00 -0.31 0.00 0.00 39.34 37.34 1kkd n TYR 40 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1kkd h LYS 41 N 4.28 0.00 -4.79 -0.72 2.10 -1.95 -3.46 116.57 112.02 1kkd h LYS 41 Ca -0.07 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.59 1kkd h LYS 41 Cb 0.16 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.39 1kkd h LYS 41 CO 0.00 0.00 -1.40 -1.71 -2.00 0.00 0.00 179.45 174.34 1kkd n ASN 42 N -3.73 -2.08 -4.22 7.07 5.15 -1.26 -4.88 115.26 111.31 1kkd n ASN 42 Ca 0.17 1.36 -0.36 0.00 -0.60 0.00 0.00 54.58 55.15 1kkd n ASN 42 Cb 1.05 -5.00 0.05 0.00 -0.53 0.00 0.00 39.78 35.35 1kkd n ASN 42 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1kkd n THR 43 N 1.63 0.40 -2.89 -0.44 -1.04 -1.26 -4.98 114.28 105.70 1kkd n THR 43 Ca -0.33 -0.44 -0.10 0.00 -2.04 0.00 0.00 64.05 61.15 1kkd n THR 43 Cb 0.50 -0.24 -0.01 0.00 -1.82 0.00 0.00 70.33 68.77 1kkd n THR 43 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1kkd n LYS 44 N 1.01 0.51 -1.04 -2.82 2.85 -1.26 -5.02 118.16 112.39 1kkd n LYS 44 Ca 0.04 -2.25 -0.28 0.00 -1.05 0.00 0.00 58.31 54.78 1kkd n LYS 44 Cb 0.52 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.35 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 2.68 6.71 -2.81 -5.58 -0.00 -1.26 -4.35 117.00 112.39 1kkd n LEU 45 Ca 0.19 -3.59 -0.20 0.00 -0.00 0.00 0.00 56.01 52.41 1kkd n LEU 45 Cb 0.55 -1.35 -0.01 0.00 -0.00 0.00 0.00 43.42 42.62 1kkd n LEU 45 CO 0.01 1.51 0.00 0.55 -0.00 0.00 0.00 177.39 179.46 1kkd n VAL 46 N 3.52 1.59 -3.15 1.47 3.14 -1.26 -4.97 118.33 118.67 1kkd n VAL 46 Ca 0.60 -4.55 0.04 0.00 -2.96 0.00 0.00 64.34 57.47 1kkd n VAL 46 Cb 0.33 -0.57 -0.00 0.00 -1.06 0.00 0.00 33.84 32.53 1kkd n VAL 46 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1kkd s LYS 47 N -3.15 0.44 -0.19 1.45 0.00 -1.26 -5.11 119.74 111.91 1kkd s LYS 47 Ca 0.41 0.48 -0.34 0.00 0.00 0.00 0.00 55.97 56.53 1kkd s LYS 47 Cb 0.37 0.23 -0.11 0.00 0.00 0.00 0.00 37.83 38.33 1kkd s LYS 47 CO -0.09 -0.77 2.00 1.63 0.00 0.00 0.00 175.35 178.12 1kkd n LYS 48 N 5.35 1.78 -0.07 1.78 5.02 -1.26 -4.93 118.16 125.82 1kkd n LYS 48 Ca 0.05 0.60 -0.07 0.00 -2.02 0.00 0.00 58.31 56.87 1kkd n LYS 48 Cb 0.55 -2.64 0.06 0.00 -0.02 0.00 0.00 35.03 32.98 1kkd n LYS 48 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1kkd n ILE 49 N 6.04 0.00 -0.13 -0.18 -0.00 -1.26 -4.99 119.36 118.84 1kkd n ILE 49 Ca 0.29 -0.01 -0.20 0.00 -0.00 0.00 0.00 62.75 62.83 1kkd n ILE 49 Cb 0.29 -0.32 -0.11 0.00 -0.00 0.00 0.00 39.64 39.50 1kkd n ILE 49 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1kkd n ASP 50 N -3.60 2.02 -3.95 7.28 8.00 -1.26 -5.02 116.55 120.03 1kkd n ASP 50 Ca 0.03 -0.04 -0.38 0.00 0.71 0.00 0.00 54.79 55.12 1kkd n ASP 50 Cb 0.13 -0.48 0.01 0.00 -0.02 0.00 0.00 41.12 40.77 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 -3.44 -1.66 -2.97 1.24 8.25 -1.26 -3.26 115.22 112.12 1kkd n HIS 51 Ca -0.46 0.37 -0.01 0.00 -0.26 0.00 0.00 57.72 57.37 1kkd n HIS 51 Cb 0.95 -2.81 -0.01 0.00 1.12 0.00 0.00 29.99 29.24 1kkd n HIS 51 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kkd n ALA 52 N -4.10 -2.43 -1.01 -1.41 0.00 -1.26 -4.98 120.51 105.32 1kkd n ALA 52 Ca -0.19 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1kkd n ALA 52 Cb 0.61 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1kkd n ALA 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1kkd n LYS 53 N 1.44 0.00 -1.23 0.00 3.00 -1.20 -4.34 118.16 115.83 1kkd n LYS 53 Ca -0.06 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.01 1kkd n LYS 53 Cb 0.29 -0.40 -0.10 0.00 0.00 0.00 0.00 35.03 34.82 1kkd n LYS 53 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1kkd n VAL 54 N -0.57 3.64 -3.65 3.15 0.24 -1.26 -4.64 118.33 115.23 1kkd n VAL 54 Ca 0.00 -2.23 -0.29 0.00 -2.04 0.00 0.00 64.34 59.78 1kkd n VAL 54 Cb 0.00 -2.16 -0.12 0.00 -1.47 0.00 0.00 33.84 30.09 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 0.92 1.31 -1.41 7.34 6.06 -1.26 -5.02 118.95 126.89 1kkd s ARG 55 Ca 0.66 -2.16 -0.15 0.00 -2.50 0.00 0.00 55.73 51.59 1kkd s ARG 55 Cb 0.27 -2.21 0.06 0.00 0.06 0.00 0.00 34.95 33.13 1kkd s ARG 55 CO -0.05 -1.23 2.08 1.63 -2.50 0.00 0.00 175.30 175.23 1kkd n LYS 56 N 3.22 3.00 -2.74 5.12 4.76 -1.26 -4.64 118.16 125.61 1kkd n LYS 56 Ca 0.15 -2.85 -0.04 0.00 -2.87 0.00 0.00 58.31 52.70 1kkd n LYS 56 Cb 0.37 -3.30 -0.03 0.00 -1.84 0.00 0.00 35.03 30.23 1kkd n LYS 56 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1kkd n HIS 57 N 6.43 -2.92 -2.01 2.13 -0.00 -1.26 -4.86 115.22 112.73 1kkd n HIS 57 Ca 0.50 1.71 -0.39 0.00 0.46 0.00 0.00 57.72 60.00 1kkd n HIS 57 Cb 0.40 -2.88 0.00 0.00 -0.12 0.00 0.00 29.99 27.40 1kkd n HIS 57 CO 0.00 0.00 0.00 1.14 0.46 0.00 0.00 176.34 177.94 1kkd s GLN 58 N -0.42 3.76 0.49 1.57 0.00 -1.26 -4.69 119.66 119.11 1kkd s GLN 58 Ca -0.18 2.14 0.00 0.00 -0.00 0.00 0.00 55.36 57.32 1kkd s GLN 58 Cb 0.01 -2.61 0.00 0.00 0.00 0.00 0.00 33.01 30.41 1kkd s GLN 58 CO 0.48 -0.66 0.00 0.54 0.00 0.00 0.00 175.29 175.65 1kkd n ARG 59 N -0.20 -4.57 -2.62 9.60 1.74 -1.26 -5.02 116.66 114.32 1kkd n ARG 59 Ca 0.05 3.39 -0.04 0.00 -0.77 0.00 0.00 57.85 60.48 1kkd n ARG 59 Cb 0.44 -3.80 0.03 0.00 -1.02 0.00 0.00 32.46 28.11 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 -0.67 0.50 -3.53 5.56 0.00 -1.26 -5.15 118.16 113.61 1kkd n LYS 60 Ca 0.00 -1.01 -0.08 0.00 -0.00 0.00 0.00 58.31 57.22 1kkd n LYS 60 Cb 0.00 -0.00 -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 0.12 0.00 0.00 0.00 177.40 177.52 1kkd s PHE 61 N 0.08 -0.31 0.36 5.58 2.19 -1.26 -5.18 117.98 119.44 1kkd s PHE 61 Ca 0.09 0.25 0.04 0.00 0.33 0.00 0.00 56.93 57.64 1kkd s PHE 61 Cb 0.17 0.52 0.04 0.00 -1.31 0.00 0.00 43.02 42.43 1kkd s PHE 61 CO -0.04 -0.45 0.30 1.47 1.83 0.00 0.00 175.22 178.34 1kkd n LEU 62 N -0.06 0.00 -4.60 6.12 -0.00 -1.26 -5.07 117.00 112.13 1kkd n LEU 62 Ca -0.07 -1.85 -0.43 0.00 -0.00 0.00 0.00 56.01 53.66 1kkd n LEU 62 Cb 0.60 -0.06 -0.03 0.00 -0.00 0.00 0.00 43.42 43.93 1kkd n LEU 62 CO 0.11 -0.50 0.86 0.00 -0.00 0.00 0.00 177.39 177.86 1kkd s GLN 63 N -3.51 3.81 -0.04 1.47 -2.07 -1.26 -4.87 119.66 113.18 1kkd s GLN 63 Ca 0.23 0.60 0.07 0.00 -1.82 0.00 0.00 55.36 54.44 1kkd s GLN 63 Cb -0.02 -3.83 0.26 0.00 -1.09 0.00 0.00 33.01 28.33 1kkd s GLN 63 CO 0.15 -1.08 1.09 0.00 -1.32 0.00 0.00 175.29 174.12 1kkd n ALA 64 N 7.10 2.70 -1.56 2.60 0.00 -1.26 -4.59 120.51 125.50 1kkd n ALA 64 Ca 0.09 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1kkd n ALA 64 Cb 0.48 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 -2.02 0.00 2.08 -1.26 -4.81 119.36 113.60 1kkd n ILE 65 Ca 0.09 0.00 -0.32 0.00 0.56 0.00 0.00 62.75 63.09 1kkd n ILE 65 Cb 0.39 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 39.24 1kkd n ILE 65 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 1kkd s HIS 66 N 0.99 1.71 0.51 1.39 3.76 -1.26 -4.93 115.29 117.46 1kkd s HIS 66 Ca 0.00 0.75 0.06 0.00 -0.15 0.00 0.00 55.06 55.72 1kkd s HIS 66 Cb 0.00 -4.04 0.02 0.00 1.11 0.00 0.00 32.58 29.67 1kkd s HIS 66 CO 0.00 -2.00 0.38 -0.65 -0.85 0.00 0.00 174.74 171.62 1kkd s GLN 67 N 7.10 2.30 0.50 1.40 -1.52 -1.26 -5.01 119.66 123.17 1kkd s GLN 67 Ca 0.70 -1.91 -0.00 0.00 -1.95 0.00 0.00 55.36 52.20 1kkd s GLN 67 Cb -0.10 -2.15 0.01 0.00 -0.22 0.00 0.00 33.01 30.56 1kkd s GLN 67 CO 0.09 -0.49 0.74 -0.48 -0.25 0.00 0.00 175.29 174.89 1kkd s LEU 68 N -4.22 3.46 0.00 2.90 2.34 -1.26 -5.10 118.68 116.79 1kkd s LEU 68 Ca 0.38 0.21 0.00 0.00 0.06 0.00 0.00 54.13 54.78 1kkd s LEU 68 Cb -0.02 -3.08 0.00 0.00 -0.56 0.00 0.00 46.19 42.53 1kkd s LEU 68 CO 0.23 -0.91 0.00 -2.11 -1.06 0.00 0.00 176.35 172.49 1kkd n ARG 69 N -2.24 0.00 -1.58 1.48 1.85 -1.26 -5.17 116.66 109.75 1kkd n ARG 69 Ca 0.04 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.60 1kkd n ARG 69 Cb 0.58 0.00 0.14 0.00 -1.05 0.00 0.00 32.46 32.14 1kkd n ARG 69 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1kkd s SER 70 N 0.00 3.42 -0.16 2.89 0.01 -1.26 -4.97 113.70 113.63 1kkd s SER 70 Ca 0.00 0.87 0.16 0.00 1.31 0.00 0.00 55.95 58.29 1kkd s SER 70 Cb 0.00 -1.37 0.66 0.00 0.21 0.00 0.00 66.02 65.52 1kkd s SER 70 CO 0.00 -2.60 1.57 0.55 0.41 0.00 0.00 173.24 173.18 1kkd n VAL 71 N -3.78 2.19 -1.06 3.43 3.14 -1.26 -5.06 118.33 115.93 1kkd n VAL 71 Ca 0.08 -1.45 0.13 0.00 -2.96 0.00 0.00 64.34 60.14 1kkd n VAL 71 Cb 0.59 -0.08 -0.07 0.00 -1.06 0.00 0.00 33.84 33.23 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 0.43 -2.43 -0.66 1.45 5.02 -1.26 -4.88 118.16 115.82 1kkd n LYS 72 Ca 0.24 1.97 -0.23 0.00 -2.02 0.00 0.00 58.31 58.27 1kkd n LYS 72 Cb 0.95 -2.85 0.12 0.00 -0.02 0.00 0.00 35.03 33.22 1kkd n LYS 72 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1kkd n MET 73 N -3.74 -1.48 -4.50 1.97 2.81 -1.26 -5.03 117.12 105.90 1kkd n MET 73 Ca -0.06 -0.43 -0.23 0.00 -1.81 0.00 0.00 57.70 55.16 1kkd n MET 73 Cb 0.50 -1.39 -0.11 0.00 -0.71 0.00 0.00 33.22 31.52 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 -3.04 1.73 0.87 0.03 2.02 -1.26 -5.16 118.70 113.89 1kkd s GLU 74 Ca 0.36 -1.96 -0.13 0.00 0.02 0.00 0.00 54.97 53.27 1kkd s GLU 74 Cb -0.04 -1.10 0.14 0.00 0.10 0.00 0.00 34.13 33.24 1kkd s GLU 74 CO 0.43 -0.13 1.22 -0.65 0.02 0.00 0.00 175.26 176.15 1kkd s GLN 75 N -3.83 1.27 -0.14 1.61 1.11 -1.26 -5.10 119.66 113.32 1kkd s GLN 75 Ca 0.36 -0.30 -0.06 0.00 0.01 0.00 0.00 55.36 55.37 1kkd s GLN 75 Cb 0.09 -1.95 0.06 0.00 -1.01 0.00 0.00 33.01 30.20 1kkd s GLN 75 CO 0.16 -1.98 0.30 -0.98 0.01 0.00 0.00 175.29 172.80 1kkd s ARG 76 N -5.67 0.23 0.00 2.91 1.70 -1.26 -5.15 118.95 111.71 1kkd s ARG 76 Ca 0.68 0.71 0.00 0.00 -0.47 0.00 0.00 55.73 56.65 1kkd s ARG 76 Cb -0.07 -0.02 0.00 0.00 -0.57 0.00 0.00 34.95 34.29 1kkd s ARG 76 CO 0.50 -0.21 0.00 1.63 -1.08 0.00 0.00 175.30 176.14 1kkd n LYS 77 N 4.74 0.00 0.00 3.89 5.02 -1.26 -4.77 118.16 125.77 1kkd n LYS 77 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 1kkd n LYS 77 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 1kkd n LYS 77 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1kkd n LEU 78 N 0.00 0.00 -2.98 -0.35 4.77 -1.26 -4.50 117.00 112.69 1kkd n LEU 78 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 1kkd n LEU 78 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1kkd n LEU 78 CO 0.00 0.00 2.03 -0.46 -1.33 0.00 0.00 177.39 177.63 1kkd n ASN 79 N 1.37 4.22 -2.52 -1.43 6.94 -1.26 -4.59 115.26 118.00 1kkd n ASN 79 Ca 0.00 -2.24 -0.03 0.00 -0.02 0.00 0.00 54.58 52.29 1kkd n ASN 79 Cb 0.00 -0.99 -0.02 0.00 -2.36 0.00 0.00 39.78 36.41 1kkd n ASN 79 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1kkd n ASP 80 N 3.95 -4.41 -2.68 0.53 9.92 -1.26 -5.02 116.55 117.58 1kkd n ASP 80 Ca 0.38 1.48 -0.05 0.00 -0.53 0.00 0.00 54.79 56.07 1kkd n ASP 80 Cb 0.19 -4.57 0.05 0.00 -0.64 0.00 0.00 41.12 36.15 1kkd n ASP 80 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1kkd n GLN 81 N 1.89 0.60 -3.12 -1.24 0.00 -1.26 -4.89 117.38 109.36 1kkd n GLN 81 Ca -0.20 -1.18 0.01 0.00 -0.00 0.00 0.00 57.00 55.64 1kkd n GLN 81 Cb 0.30 -0.08 0.01 0.00 0.00 0.00 0.00 30.24 30.47 1kkd n GLN 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1kkd n ALA 82 N -0.43 -2.12 -1.57 1.69 0.00 -1.26 -4.86 120.51 111.96 1kkd n ALA 82 Ca -0.15 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1kkd n ALA 82 Cb 0.73 0.12 -0.00 0.00 0.00 0.00 0.00 19.45 20.30 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 -0.75 -8.44 0.00 0.00 4.13 -1.26 -5.04 115.26 103.91 1kkd n ASN 83 Ca 0.02 1.87 0.00 0.00 1.68 0.00 0.00 54.58 58.15 1kkd n ASN 83 Cb 0.35 -5.07 0.00 0.00 -1.54 0.00 0.00 39.78 33.53 1kkd n ASN 83 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1kkd n THR 84 N -2.64 0.00 0.75 3.41 -2.24 -1.26 -4.95 114.28 107.35 1kkd n THR 84 Ca -0.00 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.86 1kkd n THR 84 Cb 0.49 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.61 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 0.00 0.75 -4.16 3.22 -0.00 -1.26 -4.99 117.00 110.56 1kkd n LEU 85 Ca 0.00 -0.45 -0.34 0.00 -0.00 0.00 0.00 56.01 55.23 1kkd n LEU 85 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 1kkd n LEU 85 CO 0.00 0.19 -0.34 0.52 -0.00 0.00 0.00 177.39 177.76 1kkd n VAL 86 N -1.50 -2.04 -3.89 1.47 0.31 -1.26 -4.89 118.33 106.53 1kkd n VAL 86 Ca 0.03 -0.55 -0.30 0.00 -0.01 0.00 0.00 64.34 63.51 1kkd n VAL 86 Cb 0.30 -1.78 -0.14 0.00 -0.91 0.00 0.00 33.84 31.32 1kkd n VAL 86 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1kkd s ASP 87 N -4.14 4.19 0.00 4.52 2.15 -1.26 -4.78 116.67 117.35 1kkd s ASP 87 Ca 0.14 -3.03 0.00 0.00 0.43 0.00 0.00 52.55 50.10 1kkd s ASP 87 Cb -0.07 -1.50 0.00 0.00 -0.30 0.00 0.00 42.92 41.05 1kkd s ASP 87 CO 0.97 -0.22 0.83 0.00 -0.17 0.00 0.00 175.17 176.57 1kkd n LEU 88 N 3.07 0.00 0.03 -1.34 -0.00 -1.26 -4.98 117.00 112.52 1kkd n LEU 88 Ca 0.08 -1.01 0.00 0.00 -0.00 0.00 0.00 56.01 55.07 1kkd n LEU 88 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 1kkd n LEU 88 CO 0.31 0.52 0.00 0.00 -0.00 0.00 0.00 177.39 178.22 1kkd n ALA 89 N 0.00 0.00 -1.93 1.47 0.00 -1.26 -5.13 120.51 113.66 1kkd n ALA 89 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1kkd n ALA 89 Cb 0.63 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.02 1kkd n ALA 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1kkd s LYS 90 N -1.27 4.50 -0.37 0.00 -2.85 -1.26 -4.97 119.74 113.51 1kkd s LYS 90 Ca 0.00 1.15 0.05 0.00 -1.00 0.00 0.00 55.97 56.17 1kkd s LYS 90 Cb 0.00 -2.99 0.32 0.00 -2.06 0.00 0.00 37.83 33.10 1kkd s LYS 90 CO 0.00 0.42 1.32 -2.37 0.10 0.00 0.00 175.35 174.81 1kkd n THR 91 N 0.97 0.00 0.00 3.79 5.66 -1.26 -4.72 114.28 118.72 1kkd n THR 91 Ca -0.02 -0.90 0.00 0.00 -3.05 0.00 0.00 64.05 60.08 1kkd n THR 91 Cb 0.50 1.20 0.00 0.00 -1.55 0.00 0.00 70.33 70.48 1kkd n THR 91 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02