#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 -2.35 -3.89 2.89 4.81 -1.26 -5.09 118.16 113.27 1kkd n LYS 2 Ca 0.00 1.81 -0.10 0.00 -0.87 0.00 0.00 58.31 59.15 1kkd n LYS 2 Cb 0.00 -2.20 -0.00 0.00 0.02 0.00 0.00 35.03 32.85 1kkd n LYS 2 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1kkd s LEU 3 N -3.95 0.19 0.15 3.14 2.34 -1.26 -5.18 118.68 114.12 1kkd s LEU 3 Ca 0.00 -1.12 0.10 0.00 0.06 0.00 0.00 54.13 53.17 1kkd s LEU 3 Cb 0.00 2.48 -0.04 0.00 -0.56 0.00 0.00 46.19 48.07 1kkd s LEU 3 CO 0.00 -1.52 -0.18 -1.61 -1.06 0.00 0.00 176.35 171.98 1kkd s GLU 4 N -2.83 1.77 -0.28 1.48 2.02 -1.26 -5.13 118.70 114.48 1kkd s GLU 4 Ca 0.18 -1.29 -0.27 0.00 0.02 0.00 0.00 54.97 53.61 1kkd s GLU 4 Cb -0.04 -2.05 0.18 0.00 0.10 0.00 0.00 34.13 32.32 1kkd s GLU 4 CO 0.12 0.45 1.34 -0.51 0.02 0.00 0.00 175.26 176.68 1kkd s LEU 5 N -2.44 -0.10 -0.09 1.80 1.43 -1.26 -5.07 118.68 112.96 1kkd s LEU 5 Ca 0.20 0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 53.37 1kkd s LEU 5 Cb -0.09 1.22 0.01 0.00 0.03 0.00 0.00 46.19 47.35 1kkd s LEU 5 CO 0.11 -0.06 0.13 0.35 0.23 0.00 0.00 176.35 177.11 1kkd n THR 6 N 1.06 -2.32 0.16 5.49 -2.24 -1.26 -4.89 114.28 110.28 1kkd n THR 6 Ca -0.06 0.40 -0.06 0.00 -2.27 0.00 0.00 64.05 62.06 1kkd n THR 6 Cb 0.58 -3.03 -0.03 0.00 -2.10 0.00 0.00 70.33 65.75 1kkd n THR 6 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1kkd h LYS 7 N 3.22 -0.40 -0.90 -0.78 1.57 -2.04 -3.47 116.57 113.77 1kkd h LYS 7 Ca -0.12 0.03 0.20 0.00 -1.87 0.00 0.00 60.65 58.89 1kkd h LYS 7 Cb 1.06 0.09 -0.30 0.00 0.08 0.00 0.00 32.23 33.16 1kkd h LYS 7 CO 0.05 -0.27 0.60 0.00 -0.57 0.00 0.00 179.45 179.26 1kkd s ALA 8 N -3.88 -2.77 0.00 3.86 0.00 -1.26 -5.04 121.76 112.68 1kkd s ALA 8 Ca -0.06 1.97 0.00 0.00 0.00 0.00 0.00 51.96 53.87 1kkd s ALA 8 Cb 0.01 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1kkd s ALA 8 CO 0.18 -0.53 0.68 -0.85 0.00 0.00 0.00 175.76 175.24 1kkd n GLU 9 N 3.70 0.00 -0.03 0.00 0.28 -1.26 -4.82 120.64 118.50 1kkd n GLU 9 Ca -0.14 -0.68 -0.04 0.00 -0.16 0.00 0.00 57.16 56.14 1kkd n GLU 9 Cb 0.56 -0.49 -0.03 0.00 1.43 0.00 0.00 31.44 32.91 1kkd n GLU 9 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1kkd n LYS 10 N 0.00 1.03 -0.96 3.44 2.85 -1.26 -5.04 118.16 118.21 1kkd n LYS 10 Ca 0.00 0.03 -0.30 0.00 -1.05 0.00 0.00 58.31 56.99 1kkd n LYS 10 Cb 0.58 -1.13 0.23 0.00 -0.65 0.00 0.00 35.03 34.06 1kkd n LYS 10 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1kkd s HIS 11 N -2.13 0.76 -0.30 5.58 2.46 -1.26 -5.08 115.29 115.33 1kkd s HIS 11 Ca -0.07 0.66 -0.16 0.00 0.47 0.00 0.00 55.06 55.96 1kkd s HIS 11 Cb 0.02 -3.31 0.19 0.00 -0.13 0.00 0.00 32.58 29.35 1kkd s HIS 11 CO 0.17 -3.83 1.18 0.54 -2.47 0.00 0.00 174.74 170.33 1kkd s VAL 12 N -2.86 0.00 -0.41 0.89 0.11 -1.26 -5.08 120.40 111.79 1kkd s VAL 12 Ca 0.69 0.00 0.10 0.00 -2.93 0.00 0.00 61.98 59.84 1kkd s VAL 12 Cb -0.13 -1.00 0.34 0.00 -1.53 0.00 0.00 36.38 34.05 1kkd s VAL 12 CO 0.57 0.00 0.87 1.41 -3.33 0.00 0.00 175.10 174.62 1kkd n HIS 13 N 3.25 -1.00 0.00 1.54 8.25 -1.26 -4.88 115.22 121.12 1kkd n HIS 13 Ca -0.18 -3.17 0.00 0.00 -0.26 0.00 0.00 57.72 54.12 1kkd n HIS 13 Cb 0.57 0.36 0.00 0.00 1.12 0.00 0.00 29.99 32.04 1kkd n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1kkd n ASN 14 N 0.35 0.00 -4.38 0.41 5.15 -1.26 -5.17 115.26 110.37 1kkd n ASN 14 Ca 0.18 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.87 1kkd n ASN 14 Cb 0.67 0.00 0.20 0.00 -0.53 0.00 0.00 39.78 40.12 1kkd n ASN 14 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1kkd s PHE 15 N 0.00 1.52 -0.92 1.20 -0.12 -1.26 -4.83 117.98 113.57 1kkd s PHE 15 Ca 0.00 0.81 -0.25 0.00 -0.05 0.00 0.00 56.93 57.43 1kkd s PHE 15 Cb 0.00 -3.33 -0.12 0.00 -0.63 0.00 0.00 43.02 38.94 1kkd s PHE 15 CO 0.00 -3.30 2.17 -1.64 -0.05 0.00 0.00 175.22 172.40 1kkd s MET 16 N -5.11 1.92 0.08 1.99 -1.94 -1.26 -4.71 119.30 110.29 1kkd s MET 16 Ca 0.67 -0.08 -0.13 0.00 -1.71 0.00 0.00 55.69 54.44 1kkd s MET 16 Cb -0.16 -4.95 -0.22 0.00 2.01 0.00 0.00 34.83 31.51 1kkd s MET 16 CO 0.57 -4.24 1.20 0.52 -0.01 0.00 0.00 175.02 173.07 1kkd h MET 17 N 11.75 0.66 -2.99 2.03 2.86 -2.05 -3.37 114.93 123.82 1kkd h MET 17 Ca 0.06 -0.72 -0.66 0.00 -2.06 0.00 0.00 59.70 56.32 1kkd h MET 17 Cb 0.99 0.21 -0.39 0.00 0.06 0.00 0.00 31.60 32.47 1kkd h MET 17 CO 1.09 1.30 -0.32 -0.25 1.06 0.00 0.00 176.91 179.80 1kkd n ASP 18 N -3.83 3.81 0.01 1.22 8.00 -1.26 -4.86 116.55 119.63 1kkd n ASP 18 Ca -0.11 -3.24 -0.14 0.00 0.71 0.00 0.00 54.79 52.01 1kkd n ASP 18 Cb 0.88 -0.88 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1kkd n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kkd h THR 19 N 3.97 1.32 -0.20 -3.53 1.03 -1.98 -3.42 112.91 110.10 1kkd h THR 19 Ca 0.17 -2.04 -0.08 0.00 -0.01 0.00 0.00 66.41 64.44 1kkd h THR 19 Cb 0.75 2.03 -0.14 0.00 -1.07 0.00 0.00 68.15 69.72 1kkd h THR 19 CO 0.83 0.63 -0.21 1.67 -0.01 0.00 0.00 175.52 178.43 1kkd n GLN 20 N -3.89 0.29 -3.32 0.00 7.27 -1.26 -5.10 117.38 111.37 1kkd n GLN 20 Ca -0.06 -1.09 -0.12 0.00 0.07 0.00 0.00 57.00 55.81 1kkd n GLN 20 Cb 0.73 -0.50 -0.06 0.00 2.41 0.00 0.00 30.24 32.82 1kkd n GLN 20 CO 0.00 0.00 0.00 -0.48 0.07 0.00 0.00 177.06 176.65 1kkd s LEU 21 N 0.27 -0.51 0.20 1.69 0.05 -1.26 -4.99 118.68 114.13 1kkd s LEU 21 Ca 0.27 -1.16 0.00 0.00 0.05 0.00 0.00 54.13 53.29 1kkd s LEU 21 Cb 0.16 0.96 0.00 0.00 -2.05 0.00 0.00 46.19 45.26 1kkd s LEU 21 CO -0.11 -0.26 0.00 0.35 -0.55 0.00 0.00 176.35 175.77 1kkd n THR 22 N 4.52 0.03 -0.74 5.48 -2.24 -1.26 -5.02 114.28 115.06 1kkd n THR 22 Ca 0.09 0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.65 1kkd n THR 22 Cb 0.48 -0.54 0.19 0.00 -2.10 0.00 0.00 70.33 68.37 1kkd n THR 22 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1kkd n LYS 23 N -3.18 -2.96 -1.60 -0.78 2.85 -1.26 -5.09 118.16 106.14 1kkd n LYS 23 Ca 0.00 -1.25 0.00 0.00 -1.05 0.00 0.00 58.31 56.01 1kkd n LYS 23 Cb 0.01 -1.26 0.00 0.00 -0.65 0.00 0.00 35.03 33.12 1kkd n LYS 23 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1kkd n ARG 24 N -4.19 0.56 0.00 -1.58 1.85 -1.26 -5.00 116.66 107.04 1kkd n ARG 24 Ca 0.11 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 57.00 1kkd n ARG 24 Cb 0.44 0.00 0.24 0.00 -1.05 0.00 0.00 32.46 32.09 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 0.00 -1.87 8.89 3.14 -1.26 -2.50 118.33 124.73 1kkd n VAL 25 Ca 0.00 0.00 0.05 0.00 -2.96 0.00 0.00 64.34 61.43 1kkd n VAL 25 Cb 0.00 -0.19 0.15 0.00 -1.06 0.00 0.00 33.84 32.74 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 -0.64 1.16 -3.30 1.45 4.01 -1.26 -0.85 118.16 118.73 1kkd n LYS 26 Ca 0.06 -2.94 -0.25 0.00 -0.51 0.00 0.00 58.31 54.66 1kkd n LYS 26 Cb 0.03 -1.16 -0.08 0.00 -0.51 0.00 0.00 35.03 33.30 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 -0.64 0.26 0.00 4.39 4.13 -1.04 -4.82 115.26 117.54 1kkd n ASN 27 Ca 0.16 -2.64 0.00 0.00 1.68 0.00 0.00 54.58 53.77 1kkd n ASN 27 Cb 0.83 -0.61 0.00 0.00 -1.54 0.00 0.00 39.78 38.45 1kkd n ASN 27 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1kkd n ALA 28 N 1.91 0.00 -0.10 5.41 0.00 -1.26 -4.72 120.51 121.75 1kkd n ALA 28 Ca 0.25 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.50 1kkd n ALA 28 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 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 0.00 0.20 -0.92 0.00 0.00 -1.77 -3.47 119.26 113.30 1kkd h ALA 29 Ca 0.00 -1.03 -0.29 0.00 0.00 0.00 0.00 54.91 53.59 1kkd h ALA 29 Cb 0.00 0.63 -0.11 0.00 0.00 0.00 0.00 17.79 18.30 1kkd h ALA 29 CO 0.00 0.60 -0.26 0.00 0.00 0.00 0.00 179.25 179.59 1kkd n ALA 30 N -3.36 -0.22 -0.79 0.00 0.00 -0.03 0.19 120.51 116.31 1kkd n ALA 30 Ca -0.26 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1kkd n ALA 30 Cb 0.59 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 -0.90 -2.37 -1.23 0.00 3.02 -0.65 -3.53 115.26 109.59 1kkd n ASN 31 Ca -0.14 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.28 1kkd n ASN 31 Cb 0.55 -0.40 -0.05 0.00 -0.61 0.00 0.00 39.78 39.27 1kkd n ASN 31 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1kkd n VAL 32 N -2.79 0.00 0.00 2.41 0.24 0.50 0.61 118.33 119.30 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 0.00 -1.28 0.00 0.00 -1.47 0.00 0.00 33.84 31.09 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 -1.69 0.00 -0.29 1.34 0.00 -1.23 -4.29 117.00 110.84 1kkd n LEU 33 Ca -0.12 0.00 0.16 0.00 0.00 0.00 0.00 56.01 56.04 1kkd n LEU 33 Cb 0.46 0.00 0.42 0.00 0.00 0.00 0.00 43.42 44.30 1kkd n LEU 33 CO 0.19 0.00 1.22 -0.09 0.00 0.00 0.00 177.39 178.71 1kkd h ARG 34 N 0.00 0.56 -6.55 1.96 2.43 -1.90 -3.46 114.38 107.42 1kkd h ARG 34 Ca 0.00 -0.03 -0.49 0.00 -0.81 0.00 0.00 59.98 58.65 1kkd h ARG 34 Cb 0.00 -0.13 0.03 0.00 -0.42 0.00 0.00 29.97 29.45 1kkd h ARG 34 CO 0.00 0.37 -0.95 -0.85 -1.51 0.00 0.00 179.97 177.04 1kkd n GLU 35 N -4.60 -0.88 0.00 0.20 0.28 0.20 -4.87 120.64 110.97 1kkd n GLU 35 Ca 0.20 0.41 0.07 0.00 -0.16 0.00 0.00 57.16 57.69 1kkd n GLU 35 Cb 0.62 -3.26 -0.02 0.00 1.43 0.00 0.00 31.44 30.21 1kkd n GLU 35 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1kkd n THR 36 N -4.15 0.00 0.01 3.84 -1.04 -1.26 -3.89 114.28 107.79 1kkd n THR 36 Ca -0.13 -0.30 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 1kkd n THR 36 Cb 0.59 1.14 -0.10 0.00 -1.82 0.00 0.00 70.33 70.14 1kkd n THR 36 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1kkd n TRP 37 N -0.42 0.70 0.12 -1.42 7.02 -1.26 -1.82 117.44 120.36 1kkd n TRP 37 Ca 0.06 0.23 -0.22 0.00 -1.02 0.00 0.00 57.50 56.55 1kkd n TRP 37 Cb 0.30 -0.99 -0.15 0.00 -2.42 0.00 0.00 31.31 28.04 1kkd n TRP 37 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1kkd h LEU 38 N 0.00 0.70 0.20 -0.99 -0.00 -1.95 -3.32 115.31 109.94 1kkd h LEU 38 Ca -0.20 -0.79 -0.31 0.00 -0.00 0.00 0.00 57.88 56.59 1kkd h LEU 38 Cb 1.59 -0.23 0.02 0.00 -0.00 0.00 0.00 40.66 42.05 1kkd h LEU 38 CO 0.04 1.62 -1.37 0.16 -0.00 0.00 0.00 178.44 178.89 1kkd h ILE 39 N 0.12 1.38 -4.57 1.22 -0.00 -1.71 -3.50 117.51 110.46 1kkd h ILE 39 Ca -0.24 -2.88 0.00 0.00 -0.00 0.00 0.00 64.86 61.74 1kkd h ILE 39 Cb 2.11 3.00 0.00 0.00 -0.00 0.00 0.00 36.82 41.93 1kkd h ILE 39 CO 0.24 0.85 -0.82 -1.22 -0.00 0.00 0.00 178.15 177.20 1kkd n TYR 40 N -3.63 -4.06 -0.85 0.16 4.01 -0.76 -4.92 117.16 107.12 1kkd n TYR 40 Ca -0.13 2.42 0.00 0.00 -0.16 0.00 0.00 57.90 60.03 1kkd n TYR 40 Cb 1.07 -3.34 0.00 0.00 -0.31 0.00 0.00 39.34 36.76 1kkd n TYR 40 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1kkd n LYS 41 N 1.89 -2.35 0.00 -0.72 4.01 -1.26 -5.05 118.16 114.68 1kkd n LYS 41 Ca 0.00 1.78 0.00 0.00 -0.51 0.00 0.00 58.31 59.58 1kkd n LYS 41 Cb 0.00 -2.11 0.00 0.00 -0.51 0.00 0.00 35.03 32.41 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 -1.51 0.00 -0.34 4.39 5.15 -1.26 -4.93 115.26 116.76 1kkd n ASN 42 Ca 0.00 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 54.07 1kkd n ASN 42 Cb 0.13 0.36 0.20 0.00 -0.53 0.00 0.00 39.78 39.94 1kkd n ASN 42 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1kkd n THR 43 N -2.36 -0.40 -1.46 -0.44 -2.24 -1.26 -4.28 114.28 101.84 1kkd n THR 43 Ca 0.00 2.16 -0.44 0.00 -2.27 0.00 0.00 64.05 63.50 1kkd n THR 43 Cb 0.00 -3.06 -0.14 0.00 -2.10 0.00 0.00 70.33 65.03 1kkd n THR 43 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1kkd n LYS 44 N -5.51 0.05 -1.34 -0.78 2.85 -1.26 -4.71 118.16 107.47 1kkd n LYS 44 Ca 0.18 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.15 1kkd n LYS 44 Cb 0.59 -1.58 -0.07 0.00 -0.65 0.00 0.00 35.03 33.32 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 10.25 7.44 -0.32 -5.58 -0.00 -1.26 -4.60 117.00 122.94 1kkd n LEU 45 Ca 0.63 -4.07 0.09 0.00 -0.00 0.00 0.00 56.01 52.66 1kkd n LEU 45 Cb 0.04 -1.46 0.26 0.00 -0.00 0.00 0.00 43.42 42.26 1kkd n LEU 45 CO 0.92 1.94 1.15 -0.37 -0.00 0.00 0.00 177.39 181.02 1kkd h VAL 46 N 2.56 0.75 -0.53 1.47 -1.51 -1.89 -3.38 116.25 113.72 1kkd h VAL 46 Ca 0.61 -0.25 0.01 0.00 -1.23 0.00 0.00 66.70 65.84 1kkd h VAL 46 Cb 0.68 -0.03 -0.17 0.00 -2.13 0.00 0.00 31.29 29.64 1kkd h VAL 46 CO 1.21 0.13 -0.26 -1.59 -1.23 0.00 0.00 177.57 175.83 1kkd s LYS 47 N -5.93 0.49 0.22 5.19 -2.85 -1.26 -5.14 119.74 110.46 1kkd s LYS 47 Ca -0.12 -0.32 -0.32 0.00 -1.00 0.00 0.00 55.97 54.21 1kkd s LYS 47 Cb 0.23 0.02 -0.14 0.00 -2.06 0.00 0.00 37.83 35.88 1kkd s LYS 47 CO 0.79 -0.66 1.34 1.63 0.10 0.00 0.00 175.35 178.55 1kkd n LYS 48 N 3.44 1.78 -0.39 1.78 4.76 -1.26 -4.93 118.16 123.34 1kkd n LYS 48 Ca 0.11 0.64 -0.26 0.00 -2.87 0.00 0.00 58.31 55.92 1kkd n LYS 48 Cb 0.61 -2.25 0.23 0.00 -1.84 0.00 0.00 35.03 31.78 1kkd n LYS 48 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1kkd n ILE 49 N 1.84 0.00 0.00 -0.18 -5.35 -1.26 -4.95 119.36 109.46 1kkd n ILE 49 Ca 0.13 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 1kkd n ILE 49 Cb 0.29 -0.78 0.00 0.00 -1.74 0.00 0.00 39.64 37.42 1kkd n ILE 49 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1kkd n ASP 50 N -3.74 0.00 -4.12 7.28 2.03 -1.26 -5.05 116.55 111.69 1kkd n ASP 50 Ca 0.09 0.00 -0.45 0.00 0.52 0.00 0.00 54.79 54.94 1kkd n ASP 50 Cb 0.50 0.13 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 1kkd n ASP 50 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1kkd n HIS 51 N -1.65 -1.36 -4.33 -0.67 -0.00 -1.26 -4.94 115.22 101.02 1kkd n HIS 51 Ca 0.00 0.13 -0.26 0.00 -0.00 0.00 0.00 57.72 57.59 1kkd n HIS 51 Cb 0.00 -2.78 -0.09 0.00 -0.00 0.00 0.00 29.99 27.13 1kkd n HIS 51 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1kkd s ALA 52 N -3.65 3.47 -0.00 1.57 0.00 -1.26 -5.08 121.76 116.81 1kkd s ALA 52 Ca 0.43 -2.10 -0.09 0.00 0.00 0.00 0.00 51.96 50.20 1kkd s ALA 52 Cb -0.24 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 1kkd s ALA 52 CO 0.98 -0.15 0.73 0.87 0.00 0.00 0.00 175.76 178.19 1kkd h LYS 53 N 1.53 -0.30 -6.43 0.00 1.79 -2.08 -3.48 116.57 107.60 1kkd h LYS 53 Ca -0.43 0.02 -0.18 0.00 -2.18 0.00 0.00 60.65 57.88 1kkd h LYS 53 Cb 1.25 0.07 0.01 0.00 -1.58 0.00 0.00 32.23 31.98 1kkd h LYS 53 CO 0.74 -0.20 -1.10 1.55 -1.08 0.00 0.00 179.45 179.36 1kkd n VAL 54 N -3.26 -3.08 -3.02 0.50 3.14 -1.26 -4.79 118.33 106.56 1kkd n VAL 54 Ca -0.04 0.33 -0.44 0.00 -2.96 0.00 0.00 64.34 61.23 1kkd n VAL 54 Cb 0.12 -3.33 -0.01 0.00 -1.06 0.00 0.00 33.84 29.56 1kkd n VAL 54 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1kkd s ARG 55 N -1.67 3.99 1.10 1.45 1.81 -1.26 -5.02 118.95 119.35 1kkd s ARG 55 Ca 0.18 -2.51 -0.12 0.00 -1.72 0.00 0.00 55.73 51.55 1kkd s ARG 55 Cb -0.02 -4.93 0.25 0.00 -0.45 0.00 0.00 34.95 29.80 1kkd s ARG 55 CO 0.41 -1.67 1.06 0.15 -0.68 0.00 0.00 175.30 174.58 1kkd s LYS 56 N 1.30 -0.46 -0.27 3.54 1.02 -1.26 -4.17 119.74 119.44 1kkd s LYS 56 Ca 0.38 1.08 -0.23 0.00 0.02 0.00 0.00 55.97 57.22 1kkd s LYS 56 Cb -0.05 -1.59 0.03 0.00 -0.52 0.00 0.00 37.83 35.71 1kkd s LYS 56 CO -0.03 -3.49 0.40 1.58 -0.92 0.00 0.00 175.35 172.88 1kkd n HIS 57 N -4.78 -1.72 -1.47 3.18 -0.00 -1.26 -4.78 115.22 104.38 1kkd n HIS 57 Ca 0.06 0.72 -0.28 0.00 0.46 0.00 0.00 57.72 58.68 1kkd n HIS 57 Cb 0.53 -1.60 -0.03 0.00 -0.12 0.00 0.00 29.99 28.78 1kkd n HIS 57 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1kkd n GLN 58 N 0.40 2.38 -1.35 1.57 10.64 -1.26 -4.97 117.38 124.79 1kkd n GLN 58 Ca -0.05 -2.44 0.09 0.00 -1.83 0.00 0.00 57.00 52.77 1kkd n GLN 58 Cb 0.59 -2.10 -0.05 0.00 -0.86 0.00 0.00 30.24 27.82 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 0.54 -3.32 0.00 2.61 1.74 -1.26 -4.91 116.66 112.06 1kkd n ARG 59 Ca 0.48 2.66 0.00 0.00 -0.77 0.00 0.00 57.85 60.21 1kkd n ARG 59 Cb 0.52 -3.57 0.00 0.00 -1.02 0.00 0.00 32.46 28.39 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 -3.43 -0.64 -3.80 5.56 0.00 -1.26 -5.01 118.16 109.58 1kkd n LYS 60 Ca -0.05 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.00 1kkd n LYS 60 Cb 0.54 0.00 -0.17 0.00 -0.00 0.00 0.00 35.03 35.40 1kkd n LYS 60 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1kkd s PHE 61 N -0.62 1.12 0.07 5.58 0.40 -1.26 -5.13 117.98 118.14 1kkd s PHE 61 Ca 0.00 -0.69 -0.08 0.00 -0.60 0.00 0.00 56.93 55.57 1kkd s PHE 61 Cb 0.00 -1.04 -0.01 0.00 0.51 0.00 0.00 43.02 42.48 1kkd s PHE 61 CO 0.00 -0.51 0.15 -0.48 0.70 0.00 0.00 175.22 175.08 1kkd s LEU 62 N 1.83 1.58 0.05 -0.37 2.34 -1.26 -5.08 118.68 117.77 1kkd s LEU 62 Ca 0.02 -0.61 -0.13 0.00 0.06 0.00 0.00 54.13 53.47 1kkd s LEU 62 Cb -0.15 0.87 -0.05 0.00 -0.56 0.00 0.00 46.19 46.30 1kkd s LEU 62 CO -0.07 -0.65 1.21 1.56 -1.06 0.00 0.00 176.35 177.34 1kkd h GLN 63 N 3.08 -0.18 -2.40 1.48 4.20 -2.07 -3.48 115.11 115.74 1kkd h GLN 63 Ca -0.33 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1kkd h GLN 63 Cb 1.19 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1kkd h GLN 63 CO 0.55 -0.12 0.00 0.00 -0.67 0.00 0.00 178.83 178.59 1kkd n ALA 64 N -2.79 -2.45 -2.00 3.87 0.00 -1.26 -5.12 120.51 110.76 1kkd n ALA 64 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1kkd n ALA 64 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 0.21 0.00 -4.02 0.00 -5.35 -1.26 -5.01 119.36 103.92 1kkd n ILE 65 Ca 0.00 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.05 1kkd n ILE 65 Cb 0.00 0.00 0.02 0.00 -1.74 0.00 0.00 39.64 37.92 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 -1.52 -1.32 4.28 -0.00 -1.26 -4.74 115.22 110.66 1kkd n HIS 66 Ca 0.00 0.21 -0.32 0.00 0.46 0.00 0.00 57.72 58.07 1kkd n HIS 66 Cb 0.00 -2.78 -0.06 0.00 -0.12 0.00 0.00 29.99 27.02 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 -4.60 3.32 -3.62 1.57 6.02 -1.26 -4.72 117.38 114.10 1kkd n GLN 67 Ca -0.15 -2.05 -0.34 0.00 -0.01 0.00 0.00 57.00 54.45 1kkd n GLN 67 Cb 0.59 -2.55 0.02 0.00 1.02 0.00 0.00 30.24 29.32 1kkd n GLN 67 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1kkd n LEU 68 N 2.96 -2.17 -2.92 1.08 -0.00 -1.26 -4.89 117.00 109.80 1kkd n LEU 68 Ca 0.67 -0.50 -0.26 0.00 -0.00 0.00 0.00 56.01 55.92 1kkd n LEU 68 Cb 0.42 -1.58 -0.03 0.00 -0.00 0.00 0.00 43.42 42.23 1kkd n LEU 68 CO 0.63 0.18 0.12 0.54 -0.00 0.00 0.00 177.39 178.85 1kkd n ARG 69 N -1.18 3.04 -2.68 1.47 1.74 -1.26 -4.75 116.66 113.04 1kkd n ARG 69 Ca -0.19 -4.68 -0.05 0.00 -0.77 0.00 0.00 57.85 52.16 1kkd n ARG 69 Cb 0.69 -2.18 0.07 0.00 -1.02 0.00 0.00 32.46 30.02 1kkd n ARG 69 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1kkd n SER 70 N -0.22 -1.49 0.02 0.55 7.64 -1.26 -4.97 113.62 113.89 1kkd n SER 70 Ca 0.31 -2.19 0.06 0.00 1.01 0.00 0.00 58.87 58.05 1kkd n SER 70 Cb 0.44 1.21 0.26 0.00 -1.01 0.00 0.00 64.21 65.12 1kkd n SER 70 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1kkd n VAL 71 N -0.04 1.25 -3.19 0.44 0.24 -1.26 -4.47 118.33 111.30 1kkd n VAL 71 Ca -0.10 0.33 0.05 0.00 -2.04 0.00 0.00 64.34 62.57 1kkd n VAL 71 Cb 0.73 -1.18 -0.02 0.00 -1.47 0.00 0.00 33.84 31.90 1kkd n VAL 71 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1kkd s LYS 72 N -3.05 0.19 0.07 7.34 -2.85 -1.26 -5.13 119.74 115.05 1kkd s LYS 72 Ca 0.05 0.37 -0.37 0.00 -1.00 0.00 0.00 55.97 55.01 1kkd s LYS 72 Cb 0.07 0.21 -0.17 0.00 -2.06 0.00 0.00 37.83 35.87 1kkd s LYS 72 CO 0.21 -0.17 1.25 0.00 0.10 0.00 0.00 175.35 176.73 1kkd n MET 73 N 5.32 0.85 -3.79 1.78 -0.00 -1.26 -4.94 117.12 115.08 1kkd n MET 73 Ca -0.07 0.31 -0.35 0.00 -0.00 0.00 0.00 57.70 57.58 1kkd n MET 73 Cb 0.54 -1.89 -0.05 0.00 -0.00 0.00 0.00 33.22 31.81 1kkd n MET 73 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1kkd s GLU 74 N 0.27 3.55 0.22 3.17 1.03 -1.26 -5.10 118.70 120.58 1kkd s GLU 74 Ca 0.85 -0.09 -0.00 0.00 0.03 0.00 0.00 54.97 55.75 1kkd s GLU 74 Cb -1.02 -3.11 -0.04 0.00 -0.80 0.00 0.00 34.13 29.15 1kkd s GLU 74 CO 0.50 0.68 0.13 -0.65 -1.33 0.00 0.00 175.26 174.59 1kkd s GLN 75 N -1.58 1.27 -1.47 -4.83 -0.21 -1.26 -5.04 119.66 106.53 1kkd s GLN 75 Ca 0.25 -1.68 -0.09 0.00 0.02 0.00 0.00 55.36 53.86 1kkd s GLN 75 Cb -0.13 0.16 -0.09 0.00 1.00 0.00 0.00 33.01 33.95 1kkd s GLN 75 CO 0.14 -0.38 2.97 2.89 -2.12 0.00 0.00 175.29 178.79 1kkd n ARG 76 N -0.33 3.65 -3.88 2.91 1.85 -1.26 -4.79 116.66 114.80 1kkd n ARG 76 Ca 0.02 -2.21 -0.10 0.00 -1.00 0.00 0.00 57.85 54.55 1kkd n ARG 76 Cb 0.66 -2.72 0.00 0.00 -1.05 0.00 0.00 32.46 29.35 1kkd n ARG 76 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1kkd s LYS 77 N 1.78 2.10 0.00 2.89 1.02 -1.26 -5.00 119.74 121.27 1kkd s LYS 77 Ca 0.68 -1.46 0.00 0.00 0.02 0.00 0.00 55.97 55.21 1kkd s LYS 77 Cb 0.19 0.58 0.00 0.00 -0.52 0.00 0.00 37.83 38.08 1kkd s LYS 77 CO -0.06 -0.95 0.00 1.28 -0.92 0.00 0.00 175.35 174.70 1kkd n LEU 78 N -0.53 0.00 -2.37 3.17 4.77 -1.26 -4.65 117.00 116.13 1kkd n LEU 78 Ca -0.06 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.90 1kkd n LEU 78 Cb 0.60 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1kkd n LEU 78 CO 0.26 0.00 -0.02 -3.20 -1.33 0.00 0.00 177.39 173.09 1kkd n ASN 79 N 1.19 -1.39 -2.72 -1.43 5.15 -1.26 -2.30 115.26 112.50 1kkd n ASN 79 Ca 0.00 0.42 -0.01 0.00 -0.60 0.00 0.00 54.58 54.39 1kkd n ASN 79 Cb 0.00 -1.33 -0.01 0.00 -0.53 0.00 0.00 39.78 37.91 1kkd n ASN 79 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1kkd n ASP 80 N -1.36 -7.23 -4.32 1.20 8.00 -1.26 -4.90 116.55 106.68 1kkd n ASP 80 Ca -0.02 1.42 -0.45 0.00 0.71 0.00 0.00 54.79 56.45 1kkd n ASP 80 Cb 0.48 -5.27 0.00 0.00 -0.02 0.00 0.00 41.12 36.31 1kkd n ASP 80 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1kkd n GLN 81 N 0.83 3.60 -3.54 -1.24 7.27 -0.97 -4.93 117.38 118.40 1kkd n GLN 81 Ca -0.04 -4.42 -0.13 0.00 0.07 0.00 0.00 57.00 52.47 1kkd n GLN 81 Cb 0.08 -2.58 -0.11 0.00 2.41 0.00 0.00 30.24 30.04 1kkd n GLN 81 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1kkd s ALA 82 N -1.20 -0.70 -0.30 1.69 0.00 -1.26 -5.12 121.76 114.87 1kkd s ALA 82 Ca 0.32 0.83 -0.15 0.00 0.00 0.00 0.00 51.96 52.96 1kkd s ALA 82 Cb -0.09 -1.31 0.17 0.00 0.00 0.00 0.00 23.12 21.90 1kkd s ALA 82 CO -0.06 -0.96 1.05 0.54 0.00 0.00 0.00 175.76 176.32 1kkd s ASN 83 N 2.45 -0.47 0.58 0.00 2.20 -1.26 -5.00 114.94 113.44 1kkd s ASN 83 Ca 0.05 0.52 0.32 0.00 -0.94 0.00 0.00 52.86 52.81 1kkd s ASN 83 Cb -0.14 1.49 1.38 0.00 -2.00 0.00 0.00 41.25 41.98 1kkd s ASN 83 CO -0.12 -0.09 1.71 0.71 -2.94 0.00 0.00 177.10 176.37 1kkd h THR 84 N 5.38 0.27 0.00 0.54 1.35 -2.00 -3.41 112.91 115.05 1kkd h THR 84 Ca -0.15 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1kkd h THR 84 Cb 1.14 0.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1kkd h THR 84 CO 0.03 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.30 1kkd n LEU 85 N -3.74 0.00 0.00 3.87 -0.00 -1.26 -5.08 117.00 110.79 1kkd n LEU 85 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.20 1kkd n LEU 85 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.54 1kkd n LEU 85 CO 0.31 0.00 0.00 1.33 -0.00 0.00 0.00 177.39 179.03 1kkd n VAL 86 N 0.00 0.00 -3.17 1.47 0.24 -1.26 -5.07 118.33 110.54 1kkd n VAL 86 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.24 1kkd n VAL 86 Cb 0.00 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.38 1kkd n VAL 86 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1kkd n ASP 87 N 0.00 -6.63 -0.51 -1.34 5.68 -1.26 -4.87 116.55 107.61 1kkd n ASP 87 Ca 0.00 0.46 -0.00 0.00 -0.50 0.00 0.00 54.79 54.75 1kkd n ASP 87 Cb 0.00 -2.15 -0.00 0.00 -1.14 0.00 0.00 41.12 37.83 1kkd n ASP 87 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1kkd n LEU 88 N 0.97 0.00 -2.13 -2.12 -0.00 -1.26 -4.97 117.00 107.50 1kkd n LEU 88 Ca -0.01 -1.01 -0.05 0.00 -0.00 0.00 0.00 56.01 54.94 1kkd n LEU 88 Cb 0.46 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.91 1kkd n LEU 88 CO 0.15 0.53 0.02 0.00 -0.00 0.00 0.00 177.39 178.09 1kkd n ALA 89 N 0.00 -1.26 -0.28 1.47 0.00 -1.26 -4.92 120.51 114.26 1kkd n ALA 89 Ca -0.00 0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 1kkd n ALA 89 Cb 0.63 -2.30 0.12 0.00 0.00 0.00 0.00 19.45 17.90 1kkd n ALA 89 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1kkd h LYS 90 N -0.35 1.15 0.00 0.00 -0.00 -2.00 -2.75 116.57 112.62 1kkd h LYS 90 Ca -0.21 -0.15 0.00 0.00 -0.00 0.00 0.00 60.65 60.29 1kkd h LYS 90 Cb 1.10 -0.22 0.00 0.00 -0.00 0.00 0.00 32.23 33.12 1kkd h LYS 90 CO 0.16 0.87 -0.83 0.25 -0.00 0.00 0.00 179.45 179.89 1kkd n THR 91 N -4.32 0.00 0.00 0.07 -2.24 -1.26 -5.25 114.28 101.28 1kkd n THR 91 Ca 0.08 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1kkd n THR 91 Cb 0.12 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 1kkd n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50