#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 1.88 -0.34 -0.14 2.20 -1.26 -4.96 119.74 117.12 1kkd s LYS 2 Ca 0.00 -1.19 -0.44 0.00 -0.36 0.00 0.00 55.97 53.98 1kkd s LYS 2 Cb 0.00 -2.41 -0.19 0.00 -1.51 0.00 0.00 37.83 33.72 1kkd s LYS 2 CO 0.00 -1.27 1.52 1.47 -0.36 0.00 0.00 175.35 176.71 1kkd n LEU 3 N -2.67 1.23 -4.56 5.43 -0.00 -1.26 -4.93 117.00 110.25 1kkd n LEU 3 Ca 0.15 1.16 -0.26 0.00 -0.00 0.00 0.00 56.01 57.06 1kkd n LEU 3 Cb 0.61 -0.95 -0.11 0.00 -0.00 0.00 0.00 43.42 42.97 1kkd n LEU 3 CO 0.42 -0.97 -0.28 -1.61 -0.00 0.00 0.00 177.39 174.95 1kkd s GLU 4 N 2.42 1.85 -0.21 1.47 0.41 -1.26 -5.07 118.70 118.31 1kkd s GLU 4 Ca 1.00 -2.04 -0.40 0.00 -0.41 0.00 0.00 54.97 53.12 1kkd s GLU 4 Cb -1.35 -1.31 -0.16 0.00 -1.78 0.00 0.00 34.13 29.53 1kkd s GLU 4 CO 0.73 -0.12 1.64 -0.11 -0.49 0.00 0.00 175.26 176.91 1kkd n LEU 5 N -0.87 2.14 -4.20 1.80 7.94 -1.26 -4.94 117.00 117.62 1kkd n LEU 5 Ca -0.04 1.09 -0.22 0.00 -1.11 0.00 0.00 56.01 55.72 1kkd n LEU 5 Cb 0.67 -1.14 -0.13 0.00 0.53 0.00 0.00 43.42 43.35 1kkd n LEU 5 CO 0.46 -0.60 -0.49 0.28 -1.11 0.00 0.00 177.39 175.93 1kkd s THR 6 N 2.82 1.38 -0.16 1.96 -1.32 -1.26 -4.90 115.64 114.16 1kkd s THR 6 Ca 0.96 -1.14 -0.14 0.00 -1.21 0.00 0.00 61.69 60.16 1kkd s THR 6 Cb -1.07 -1.23 0.02 0.00 -1.51 0.00 0.00 72.50 68.71 1kkd s THR 6 CO 0.62 0.06 0.23 0.29 -2.21 0.00 0.00 174.62 173.62 1kkd n LYS 7 N 1.78 -0.69 0.00 7.08 5.02 -1.26 -4.84 118.16 125.24 1kkd n LYS 7 Ca -0.18 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1kkd n LYS 7 Cb 0.54 -0.77 0.00 0.00 -0.02 0.00 0.00 35.03 34.78 1kkd n LYS 7 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kkd n ALA 8 N 0.10 2.66 -0.46 7.82 0.00 -1.26 -5.09 120.51 124.27 1kkd n ALA 8 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1kkd n ALA 8 Cb 0.28 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -2.35 0.00 -0.82 0.00 1.02 -1.26 -2.44 120.64 114.79 1kkd n GLU 9 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 1kkd n GLU 9 Cb 0.14 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 31.64 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 12.93 1.83 -1.09 3.49 2.85 -1.26 -4.98 118.16 131.91 1kkd n LYS 10 Ca 0.00 -1.79 0.07 0.00 -1.05 0.00 0.00 58.31 55.54 1kkd n LYS 10 Cb 0.00 -1.70 -0.04 0.00 -0.65 0.00 0.00 35.03 32.64 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 -0.20 -2.96 -3.56 5.58 8.25 -1.02 -5.00 115.22 116.30 1kkd n HIS 11 Ca 0.35 1.63 -0.08 0.00 -0.26 0.00 0.00 57.72 59.35 1kkd n HIS 11 Cb 0.92 -2.66 -0.09 0.00 1.12 0.00 0.00 29.99 29.28 1kkd n HIS 11 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1kkd s VAL 12 N -4.41 -0.64 0.22 1.59 1.01 -1.26 -5.00 120.40 111.91 1kkd s VAL 12 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1kkd s VAL 12 Cb 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1kkd s VAL 12 CO 0.00 0.02 0.00 1.57 0.00 0.00 0.00 175.10 176.69 1kkd n HIS 13 N 5.38 -3.48 -3.64 5.22 -0.00 -1.26 -5.07 115.22 112.37 1kkd n HIS 13 Ca -0.07 0.76 -0.40 0.00 -0.00 0.00 0.00 57.72 58.01 1kkd n HIS 13 Cb 0.50 2.14 -0.11 0.00 -0.00 0.00 0.00 29.99 32.51 1kkd n HIS 13 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 1kkd s ASN 14 N -2.12 5.58 -0.12 0.26 0.01 -1.26 -4.89 114.94 112.41 1kkd s ASN 14 Ca 0.00 -1.31 -0.03 0.00 -0.71 0.00 0.00 52.86 50.81 1kkd s ASN 14 Cb 0.00 -1.97 -0.06 0.00 0.41 0.00 0.00 41.25 39.64 1kkd s ASN 14 CO 0.00 -0.45 -0.13 0.33 -1.51 0.00 0.00 177.10 175.33 1kkd n PHE 15 N 4.91 0.00 -2.54 2.20 7.35 -1.26 -4.80 117.46 123.31 1kkd n PHE 15 Ca -0.11 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.42 1kkd n PHE 15 Cb 0.44 -0.42 0.02 0.00 0.35 0.00 0.00 39.48 39.87 1kkd n PHE 15 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1kkd n MET 16 N -3.27 2.34 -0.30 -4.13 0.00 -1.26 -4.91 117.12 105.58 1kkd n MET 16 Ca -0.22 -3.85 0.03 0.00 0.00 0.00 0.00 57.70 53.66 1kkd n MET 16 Cb 0.68 -1.77 0.10 0.00 0.00 0.00 0.00 33.22 32.23 1kkd n MET 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1kkd h MET 17 N 2.70 -0.01 -2.29 3.17 -0.00 -1.95 -3.33 114.93 113.23 1kkd h MET 17 Ca 0.09 0.00 -0.43 0.00 -0.00 0.00 0.00 59.70 59.37 1kkd h MET 17 Cb 1.14 0.00 -0.35 0.00 -0.00 0.00 0.00 31.60 32.39 1kkd h MET 17 CO 0.62 -0.00 -0.72 0.34 -0.00 0.00 0.00 176.91 177.14 1kkd s ASP 18 N -5.25 2.13 0.00 -0.10 2.15 -1.26 -4.84 116.67 109.49 1kkd s ASP 18 Ca -0.15 -1.38 0.00 0.00 0.43 0.00 0.00 52.55 51.45 1kkd s ASP 18 Cb 0.24 0.19 0.00 0.00 -0.30 0.00 0.00 42.92 43.04 1kkd s ASP 18 CO 0.76 -0.34 0.00 1.07 -0.17 0.00 0.00 175.17 176.48 1kkd n THR 19 N 4.73 0.00 -2.73 1.71 5.66 -1.25 -5.03 114.28 117.37 1kkd n THR 19 Ca 0.04 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.96 1kkd n THR 19 Cb 0.43 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.29 1kkd n THR 19 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1kkd n GLN 20 N -1.17 0.83 0.00 1.09 7.27 -1.26 -5.06 117.38 119.08 1kkd n GLN 20 Ca 0.00 -1.72 0.00 0.00 0.07 0.00 0.00 57.00 55.35 1kkd n GLN 20 Cb 0.00 -1.09 0.00 0.00 2.41 0.00 0.00 30.24 31.56 1kkd n GLN 20 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1kkd n LEU 21 N 0.89 0.00 -0.97 1.69 4.32 -1.26 -4.71 117.00 116.95 1kkd n LEU 21 Ca 0.06 0.52 -0.07 0.00 -0.02 0.00 0.00 56.01 56.50 1kkd n LEU 21 Cb 0.68 -0.02 -0.07 0.00 -1.62 0.00 0.00 43.42 42.39 1kkd n LEU 21 CO 0.02 -0.02 0.33 1.07 -1.22 0.00 0.00 177.39 177.57 1kkd n THR 22 N -0.83 0.00 -3.19 -5.08 5.66 -1.26 -5.13 114.28 104.45 1kkd n THR 22 Ca 0.00 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 1kkd n THR 22 Cb 0.00 0.47 -0.06 0.00 -1.55 0.00 0.00 70.33 69.19 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 0.00 4.21 0.16 1.09 -2.85 -1.26 -5.02 119.74 116.07 1kkd s LYS 23 Ca 0.00 0.78 0.08 0.00 -1.00 0.00 0.00 55.97 55.82 1kkd s LYS 23 Cb 0.00 -3.02 -0.04 0.00 -2.06 0.00 0.00 37.83 32.71 1kkd s LYS 23 CO 0.00 0.49 -0.16 -0.98 0.10 0.00 0.00 175.35 174.80 1kkd s ARG 24 N -1.68 1.23 -1.72 1.78 3.03 -1.26 -4.62 118.95 115.70 1kkd s ARG 24 Ca 0.38 -1.41 -0.12 0.00 2.03 0.00 0.00 55.73 56.60 1kkd s ARG 24 Cb -0.18 -1.18 0.12 0.00 -1.03 0.00 0.00 34.95 32.68 1kkd s ARG 24 CO 0.21 0.23 0.31 1.55 -1.13 0.00 0.00 175.30 176.47 1kkd n VAL 25 N 0.19 -0.53 -2.99 4.99 3.14 -1.26 0.18 118.33 122.05 1kkd n VAL 25 Ca -0.12 -0.25 -0.12 0.00 -2.96 0.00 0.00 64.34 60.89 1kkd n VAL 25 Cb 0.58 -0.79 0.06 0.00 -1.06 0.00 0.00 33.84 32.64 1kkd n VAL 25 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1kkd n LYS 26 N -4.32 -4.18 -3.36 1.45 3.00 -1.26 0.18 118.16 109.66 1kkd n LYS 26 Ca -0.10 0.62 -0.18 0.00 -0.00 0.00 0.00 58.31 58.65 1kkd n LYS 26 Cb 0.57 -4.90 0.06 0.00 0.00 0.00 0.00 35.03 30.76 1kkd n LYS 26 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1kkd n ASN 27 N -2.60 -6.38 0.00 3.14 5.15 0.29 -0.93 115.26 113.93 1kkd n ASN 27 Ca -0.18 -0.74 0.00 0.00 -0.60 0.00 0.00 54.58 53.06 1kkd n ASN 27 Cb 0.62 -4.67 0.00 0.00 -0.53 0.00 0.00 39.78 35.20 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 -3.34 0.00 -0.08 5.20 0.00 0.49 -1.08 120.51 121.70 1kkd n ALA 28 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1kkd n ALA 28 Cb 0.60 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 1.00 0.00 -0.17 0.00 0.00 0.47 -4.86 120.51 116.95 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 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.74 0.00 -2.10 0.00 0.00 -0.24 0.32 120.51 117.76 1kkd n ALA 30 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1kkd n ALA 30 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 1.50 0.54 -2.00 0.00 3.02 -1.26 -4.96 115.26 112.10 1kkd n ASN 31 Ca 0.00 -2.13 -0.01 0.00 -0.03 0.00 0.00 54.58 52.41 1kkd n ASN 31 Cb 0.00 -0.26 -0.00 0.00 -0.61 0.00 0.00 39.78 38.91 1kkd n ASN 31 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1kkd n VAL 32 N 0.04 -0.03 0.00 2.41 0.31 0.97 0.29 118.33 122.33 1kkd n VAL 32 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1kkd n VAL 32 Cb 0.85 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 33.68 1kkd n VAL 32 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1kkd n LEU 33 N -2.03 0.00 0.10 7.52 4.32 -1.26 -3.54 117.00 122.11 1kkd n LEU 33 Ca -0.01 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.96 1kkd n LEU 33 Cb 0.35 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.12 1kkd n LEU 33 CO 0.01 0.00 0.32 -0.09 -1.22 0.00 0.00 177.39 176.41 1kkd h ARG 34 N 0.00 0.00 -6.55 3.23 9.65 -1.90 -3.48 114.38 115.32 1kkd h ARG 34 Ca 0.00 0.00 -0.51 0.00 -1.10 0.00 0.00 59.98 58.37 1kkd h ARG 34 Cb 0.00 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1kkd h ARG 34 CO 0.00 0.75 -0.94 -0.85 2.80 0.00 0.00 179.97 181.73 1kkd n GLU 35 N -3.32 -1.72 0.26 0.20 0.28 0.85 -4.65 120.64 112.55 1kkd n GLU 35 Ca 0.01 0.32 0.17 0.00 -0.16 0.00 0.00 57.16 57.50 1kkd n GLU 35 Cb 0.83 -3.88 0.78 0.00 1.43 0.00 0.00 31.44 30.59 1kkd n GLU 35 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 1kkd h THR 36 N -2.02 0.00 -0.43 3.84 2.02 -1.89 0.32 112.91 114.75 1kkd h THR 36 Ca -0.66 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.18 1kkd h THR 36 Cb 1.38 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.96 1kkd h THR 36 CO 0.56 0.00 0.06 0.79 0.37 0.00 0.00 175.52 177.30 1kkd n TRP 37 N -2.87 1.50 0.01 3.16 7.02 -1.26 -2.71 117.44 122.30 1kkd n TRP 37 Ca -0.00 -0.61 0.00 0.00 -1.02 0.00 0.00 57.50 55.87 1kkd n TRP 37 Cb 0.21 -0.43 0.00 0.00 -2.42 0.00 0.00 31.31 28.67 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 0.29 -0.03 0.07 -0.99 7.99 -0.10 -4.85 117.00 119.38 1kkd n LEU 38 Ca 0.22 0.04 -0.05 0.00 -0.01 0.00 0.00 56.01 56.21 1kkd n LEU 38 Cb 0.95 0.07 0.14 0.00 -0.11 0.00 0.00 43.42 44.46 1kkd n LEU 38 CO 0.25 -0.52 0.53 0.16 -1.51 0.00 0.00 177.39 176.30 1kkd h ILE 39 N 0.00 1.35 -4.57 -0.08 3.07 -0.63 -3.49 117.51 113.16 1kkd h ILE 39 Ca 0.00 -1.81 0.00 0.00 1.55 0.00 0.00 64.86 64.60 1kkd h ILE 39 Cb 0.00 1.86 0.00 0.00 -0.27 0.00 0.00 36.82 38.41 1kkd h ILE 39 CO 0.00 0.54 -0.82 -1.22 -1.05 0.00 0.00 178.15 175.60 1kkd n TYR 40 N -3.93 -4.07 -0.01 0.16 4.01 -1.10 -4.95 117.16 107.27 1kkd n TYR 40 Ca -0.02 2.42 -0.20 0.00 -0.16 0.00 0.00 57.90 59.94 1kkd n TYR 40 Cb 0.57 -3.35 -0.14 0.00 -0.31 0.00 0.00 39.34 36.11 1kkd n TYR 40 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1kkd n LYS 41 N 1.89 0.74 0.00 -0.72 2.85 -1.26 -4.94 118.16 116.72 1kkd n LYS 41 Ca 0.00 0.25 0.00 0.00 -1.05 0.00 0.00 58.31 57.51 1kkd n LYS 41 Cb 0.00 -1.70 0.00 0.00 -0.65 0.00 0.00 35.03 32.68 1kkd n LYS 41 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1kkd n ASN 42 N -3.43 0.00 -0.39 -5.58 2.85 -1.26 -4.66 115.26 102.79 1kkd n ASN 42 Ca -0.32 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.15 1kkd n ASN 42 Cb 1.05 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.07 1kkd n ASN 42 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 1kkd n THR 43 N 0.00 0.00 0.00 -0.44 5.66 -1.26 -5.07 114.28 113.17 1kkd n THR 43 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1kkd n THR 43 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1kkd n THR 43 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1kkd n LYS 44 N 0.00 0.00 -2.64 1.09 4.76 -1.26 -4.64 118.16 115.47 1kkd n LYS 44 Ca 0.00 0.69 -0.04 0.00 -2.87 0.00 0.00 58.31 56.10 1kkd n LYS 44 Cb 0.00 -1.22 -0.01 0.00 -1.84 0.00 0.00 35.03 31.97 1kkd n LYS 44 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1kkd n LEU 45 N -1.84 -0.12 -3.46 -0.35 4.77 -1.26 -4.80 117.00 109.94 1kkd n LEU 45 Ca 0.00 0.37 -0.28 0.00 -0.03 0.00 0.00 56.01 56.07 1kkd n LEU 45 Cb 0.00 -1.10 -0.11 0.00 -2.33 0.00 0.00 43.42 39.88 1kkd n LEU 45 CO 0.00 0.00 -0.30 -0.69 -1.33 0.00 0.00 177.39 175.07 1kkd s VAL 46 N -2.12 0.49 -0.31 4.08 1.01 -1.26 -4.96 120.40 117.32 1kkd s VAL 46 Ca 0.06 -2.47 -0.07 0.00 0.00 0.00 0.00 61.98 59.50 1kkd s VAL 46 Cb -0.03 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 35.01 1kkd s VAL 46 CO 0.07 -1.13 0.27 0.29 0.00 0.00 0.00 175.10 174.59 1kkd n LYS 47 N 3.18 -2.43 -4.16 2.72 4.76 -1.26 -5.01 118.16 115.95 1kkd n LYS 47 Ca 0.23 2.12 -0.35 0.00 -2.87 0.00 0.00 58.31 57.44 1kkd n LYS 47 Cb 0.43 -4.84 -0.08 0.00 -1.84 0.00 0.00 35.03 28.70 1kkd n LYS 47 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1kkd s LYS 48 N -1.89 3.15 1.02 1.97 -2.85 -1.26 -5.08 119.74 114.80 1kkd s LYS 48 Ca 0.11 -0.32 -0.17 0.00 -1.00 0.00 0.00 55.97 54.58 1kkd s LYS 48 Cb -0.03 -2.94 -0.01 0.00 -2.06 0.00 0.00 37.83 32.79 1kkd s LYS 48 CO 0.65 0.72 -0.23 -0.89 0.10 0.00 0.00 175.35 175.70 1kkd n ILE 49 N 1.92 0.00 -2.28 3.79 2.08 -1.26 -4.56 119.36 119.05 1kkd n ILE 49 Ca -0.18 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 62.87 1kkd n ILE 49 Cb 0.54 -0.41 0.00 0.00 -0.75 0.00 0.00 39.64 39.02 1kkd n ILE 49 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1kkd n ASP 50 N 0.19 -9.47 -3.01 4.38 4.64 -1.26 -5.02 116.55 107.00 1kkd n ASP 50 Ca 0.02 1.74 -0.13 0.00 -1.38 0.00 0.00 54.79 55.04 1kkd n ASP 50 Cb 0.60 -5.21 -0.03 0.00 -1.04 0.00 0.00 41.12 35.44 1kkd n ASP 50 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1kkd n HIS 51 N 1.87 -2.62 -2.26 -0.67 1.44 -1.26 -5.08 115.22 106.64 1kkd n HIS 51 Ca 0.00 -2.18 -0.35 0.00 -2.01 0.00 0.00 57.72 53.18 1kkd n HIS 51 Cb 0.00 0.97 -0.04 0.00 0.12 0.00 0.00 29.99 31.05 1kkd n HIS 51 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1kkd s ALA 52 N 0.49 2.19 -0.05 1.59 0.00 -1.26 -4.34 121.76 120.38 1kkd s ALA 52 Ca 0.31 -1.55 -0.02 0.00 0.00 0.00 0.00 51.96 50.70 1kkd s ALA 52 Cb 0.03 -4.46 0.00 0.00 0.00 0.00 0.00 23.12 18.69 1kkd s ALA 52 CO -0.12 -4.11 0.04 1.17 0.00 0.00 0.00 175.76 172.74 1kkd n LYS 53 N 8.99 -0.58 -1.77 0.00 3.00 -1.26 -4.77 118.16 121.77 1kkd n LYS 53 Ca 0.30 0.95 -0.33 0.00 -0.00 0.00 0.00 58.31 59.22 1kkd n LYS 53 Cb 0.49 -1.36 -0.02 0.00 0.00 0.00 0.00 35.03 34.14 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 1.17 4.04 -3.27 3.15 0.24 -1.26 -4.85 118.33 117.56 1kkd n VAL 54 Ca -0.00 -3.77 -0.19 0.00 -2.04 0.00 0.00 64.34 58.34 1kkd n VAL 54 Cb 0.47 -1.64 0.02 0.00 -1.47 0.00 0.00 33.84 31.22 1kkd n VAL 54 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1kkd n ARG 55 N 0.75 -1.47 -2.79 7.34 1.74 -1.26 -4.88 116.66 116.09 1kkd n ARG 55 Ca 0.53 1.35 -0.34 0.00 -0.77 0.00 0.00 57.85 58.62 1kkd n ARG 55 Cb 0.40 -2.23 -0.01 0.00 -1.02 0.00 0.00 32.46 29.60 1kkd n ARG 55 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1kkd n LYS 56 N 0.43 4.38 -3.19 5.56 2.85 -1.26 -4.92 118.16 122.01 1kkd n LYS 56 Ca -0.03 -4.77 -0.09 0.00 -1.05 0.00 0.00 58.31 52.38 1kkd n LYS 56 Cb 0.54 -2.36 0.01 0.00 -0.65 0.00 0.00 35.03 32.57 1kkd n LYS 56 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1kkd n HIS 57 N -0.14 -1.18 0.24 5.58 8.25 -1.26 -4.80 115.22 121.91 1kkd n HIS 57 Ca 0.39 0.50 0.10 0.00 -0.26 0.00 0.00 57.72 58.45 1kkd n HIS 57 Cb 0.32 -1.64 0.62 0.00 1.12 0.00 0.00 29.99 30.42 1kkd n HIS 57 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 1kkd h GLN 58 N 3.15 0.00 -6.39 -0.41 -0.00 -2.01 -3.44 115.11 106.02 1kkd h GLN 58 Ca -0.12 0.00 -0.43 0.00 -0.00 0.00 0.00 58.65 58.09 1kkd h GLN 58 Cb 0.97 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.46 1kkd h GLN 58 CO 0.07 0.17 -0.29 1.03 -0.00 0.00 0.00 178.83 179.82 1kkd s ARG 59 N -4.21 2.81 0.29 0.06 0.52 -1.26 -5.00 118.95 112.15 1kkd s ARG 59 Ca -0.03 -1.26 0.00 0.00 -0.52 0.00 0.00 55.73 53.92 1kkd s ARG 59 Cb 0.13 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.90 1kkd s ARG 59 CO 0.63 -0.22 0.00 1.63 0.02 0.00 0.00 175.30 177.35 1kkd n LYS 60 N -1.78 -2.48 -1.31 3.54 4.01 -1.26 -4.97 118.16 113.90 1kkd n LYS 60 Ca 0.06 1.65 0.16 0.00 -0.51 0.00 0.00 58.31 59.67 1kkd n LYS 60 Cb 0.59 -3.03 -0.06 0.00 -0.51 0.00 0.00 35.03 32.03 1kkd n LYS 60 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1kkd n PHE 61 N -3.69 -3.20 -1.37 2.13 3.01 -1.26 -4.74 117.46 108.34 1kkd n PHE 61 Ca 0.01 1.68 0.00 0.00 1.01 0.00 0.00 57.45 60.15 1kkd n PHE 61 Cb 0.64 -2.91 -0.00 0.00 -0.01 0.00 0.00 39.48 37.21 1kkd n PHE 61 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1kkd n LEU 62 N -3.96 0.00 -0.29 4.37 4.32 -1.26 -3.32 117.00 116.85 1kkd n LEU 62 Ca -0.03 0.02 -0.08 0.00 -0.02 0.00 0.00 56.01 55.89 1kkd n LEU 62 Cb 0.66 -0.06 -0.07 0.00 -1.62 0.00 0.00 43.42 42.33 1kkd n LEU 62 CO 0.03 -0.44 0.46 0.00 -1.22 0.00 0.00 177.39 176.22 1kkd n GLN 63 N -0.60 -0.31 -1.39 3.23 10.64 -1.26 -4.70 117.38 123.00 1kkd n GLN 63 Ca 0.00 1.30 -0.14 0.00 -1.83 0.00 0.00 57.00 56.33 1kkd n GLN 63 Cb 0.01 -1.91 -0.06 0.00 -0.86 0.00 0.00 30.24 27.41 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 -3.20 -0.21 -2.01 2.61 0.00 -1.21 -4.83 120.51 111.66 1kkd n ALA 64 Ca 0.01 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1kkd n ALA 64 Cb 0.18 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.94 0.00 -3.74 0.00 -5.35 -1.26 -4.93 119.36 102.14 1kkd n ILE 65 Ca -0.14 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.02 1kkd n ILE 65 Cb 0.47 0.00 0.03 0.00 -1.74 0.00 0.00 39.64 38.41 1kkd n ILE 65 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kkd n HIS 66 N 0.00 -1.84 -1.93 4.28 1.44 -1.26 -4.40 115.22 111.51 1kkd n HIS 66 Ca 0.00 0.46 0.00 0.00 -2.01 0.00 0.00 57.72 56.17 1kkd n HIS 66 Cb 0.00 -3.44 0.00 0.00 0.12 0.00 0.00 29.99 26.67 1kkd n HIS 66 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 1kkd n GLN 67 N -4.28 -5.33 -1.37 -1.40 7.27 -1.26 -4.59 117.38 106.42 1kkd n GLN 67 Ca -0.12 3.82 -0.39 0.00 0.07 0.00 0.00 57.00 60.38 1kkd n GLN 67 Cb 0.60 -4.17 -0.03 0.00 2.41 0.00 0.00 30.24 29.06 1kkd n GLN 67 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1kkd n LEU 68 N 1.02 8.60 -3.25 1.69 4.77 -1.26 -4.71 117.00 123.86 1kkd n LEU 68 Ca 0.00 -4.37 -0.08 0.00 -0.03 0.00 0.00 56.01 51.53 1kkd n LEU 68 Cb 0.00 -1.56 0.01 0.00 -2.33 0.00 0.00 43.42 39.54 1kkd n LEU 68 CO 0.00 2.00 -0.45 -1.14 -1.33 0.00 0.00 177.39 176.46 1kkd n ARG 69 N 3.74 -0.67 -3.38 3.23 0.63 -1.26 -3.57 116.66 115.38 1kkd n ARG 69 Ca 0.76 0.94 -0.28 0.00 -0.92 0.00 0.00 57.85 58.35 1kkd n ARG 69 Cb 0.24 -1.28 0.03 0.00 0.45 0.00 0.00 32.46 31.90 1kkd n ARG 69 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1kkd n SER 70 N 0.97 -5.69 -1.86 6.15 7.64 -1.26 -4.83 113.62 114.73 1kkd n SER 70 Ca -0.02 -0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.88 1kkd n SER 70 Cb 0.53 -1.56 0.35 0.00 -1.01 0.00 0.00 64.21 62.53 1kkd n SER 70 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1kkd n VAL 71 N 0.26 2.81 -3.15 0.44 3.14 -1.23 -4.75 118.33 115.85 1kkd n VAL 71 Ca -0.06 -1.56 0.04 0.00 -2.96 0.00 0.00 64.34 59.80 1kkd n VAL 71 Cb 0.62 -0.31 -0.00 0.00 -1.06 0.00 0.00 33.84 33.09 1kkd n VAL 71 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1kkd s LYS 72 N -2.88 0.42 -0.06 1.45 -2.85 -1.26 -5.07 119.74 109.49 1kkd s LYS 72 Ca 0.54 0.53 0.01 0.00 -1.00 0.00 0.00 55.97 56.05 1kkd s LYS 72 Cb 0.42 0.27 0.02 0.00 -2.06 0.00 0.00 37.83 36.48 1kkd s LYS 72 CO 0.14 -0.68 -0.07 0.00 0.10 0.00 0.00 175.35 174.84 1kkd s MET 73 N 2.88 1.19 0.20 1.78 0.23 -1.26 -5.14 119.30 119.18 1kkd s MET 73 Ca 0.15 -0.21 -0.00 0.00 -1.03 0.00 0.00 55.69 54.60 1kkd s MET 73 Cb -0.09 -1.15 -0.04 0.00 -1.53 0.00 0.00 34.83 32.01 1kkd s MET 73 CO -0.22 -0.10 0.10 -1.21 -2.03 0.00 0.00 175.02 171.56 1kkd s GLU 74 N 1.07 1.19 0.67 3.16 2.02 -1.26 -5.17 118.70 120.37 1kkd s GLU 74 Ca -0.08 -1.62 -0.01 0.00 0.02 0.00 0.00 54.97 53.28 1kkd s GLU 74 Cb -0.14 0.11 0.09 0.00 0.10 0.00 0.00 34.13 34.29 1kkd s GLU 74 CO -0.01 -0.33 0.94 -1.14 0.02 0.00 0.00 175.26 174.74 1kkd s GLN 75 N -4.09 2.00 -0.39 1.61 0.74 -1.26 -5.06 119.66 113.20 1kkd s GLN 75 Ca 0.35 -0.86 0.11 0.00 0.05 0.00 0.00 55.36 55.01 1kkd s GLN 75 Cb 0.07 -2.34 0.36 0.00 1.10 0.00 0.00 33.01 32.20 1kkd s GLN 75 CO 0.10 -1.21 0.91 2.89 -0.55 0.00 0.00 175.29 177.43 1kkd n ARG 76 N -2.72 1.02 -2.09 1.67 1.85 -1.26 -5.12 116.66 110.01 1kkd n ARG 76 Ca 0.12 -2.82 -0.39 0.00 -1.00 0.00 0.00 57.85 53.75 1kkd n ARG 76 Cb 0.60 -1.34 -0.00 0.00 -1.05 0.00 0.00 32.46 30.67 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 -1.52 3.92 0.22 2.89 1.02 -1.26 -4.92 119.74 120.09 1kkd s LYS 77 Ca 0.32 2.08 -0.04 0.00 0.02 0.00 0.00 55.97 58.34 1kkd s LYS 77 Cb 0.35 -2.69 0.20 0.00 -0.52 0.00 0.00 37.83 35.17 1kkd s LYS 77 CO -0.06 -0.51 1.66 1.37 -0.92 0.00 0.00 175.35 176.89 1kkd h LEU 78 N 2.55 0.82 -4.45 3.17 -0.00 -2.01 -3.08 115.31 112.32 1kkd h LEU 78 Ca -0.49 -0.26 -0.40 0.00 -0.00 0.00 0.00 57.88 56.73 1kkd h LEU 78 Cb 1.25 -0.22 -0.06 0.00 -0.00 0.00 0.00 40.66 41.62 1kkd h LEU 78 CO 0.62 0.97 1.06 -3.20 -0.00 0.00 0.00 178.44 177.88 1kkd n ASN 79 N -4.15 6.55 -4.56 0.17 2.85 -1.26 -4.85 115.26 110.01 1kkd n ASN 79 Ca 0.01 -2.64 -0.35 0.00 -0.11 0.00 0.00 54.58 51.49 1kkd n ASN 79 Cb 0.39 -1.43 -0.04 0.00 1.24 0.00 0.00 39.78 39.94 1kkd n ASN 79 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1kkd s ASP 80 N 1.73 5.83 0.30 1.20 2.15 -1.16 -4.86 116.67 121.86 1kkd s ASP 80 Ca 0.66 -0.85 0.00 0.00 0.43 0.00 0.00 52.55 52.79 1kkd s ASP 80 Cb 0.28 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.34 1kkd s ASP 80 CO -0.05 -2.09 0.00 0.00 -0.17 0.00 0.00 175.17 172.85 1kkd n GLN 81 N 8.97 -0.32 -3.12 4.34 10.64 -1.26 -4.89 117.38 131.73 1kkd n GLN 81 Ca 0.31 0.21 -0.01 0.00 -1.83 0.00 0.00 57.00 55.68 1kkd n GLN 81 Cb 0.49 -0.39 0.00 0.00 -0.86 0.00 0.00 30.24 29.48 1kkd n GLN 81 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1kkd n ALA 82 N -0.34 -2.25 -3.28 2.61 0.00 -1.26 -4.84 120.51 111.14 1kkd n ALA 82 Ca 0.00 0.09 -0.47 0.00 0.00 0.00 0.00 53.44 53.07 1kkd n ALA 82 Cb 0.07 -0.63 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 1kkd n ALA 82 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1kkd s ASN 83 N -1.12 6.79 -0.36 0.00 -0.87 -1.26 -4.94 114.94 113.17 1kkd s ASN 83 Ca 0.01 -2.68 0.00 0.00 -1.57 0.00 0.00 52.86 48.62 1kkd s ASN 83 Cb -0.00 -2.23 0.12 0.00 -0.02 0.00 0.00 41.25 39.12 1kkd s ASN 83 CO 0.15 -0.61 0.18 0.42 -2.57 0.00 0.00 177.10 174.67 1kkd s THR 84 N 0.37 0.73 -0.34 1.60 -4.23 -1.26 -4.90 115.64 107.61 1kkd s THR 84 Ca 0.21 -1.82 0.08 0.00 -1.18 0.00 0.00 61.69 58.98 1kkd s THR 84 Cb -0.09 -1.53 -0.09 0.00 1.34 0.00 0.00 72.50 72.13 1kkd s THR 84 CO -0.09 -0.85 0.32 0.00 -0.54 0.00 0.00 174.62 173.46 1kkd n LEU 85 N 4.20 0.34 -2.67 4.79 -0.00 -1.26 -4.80 117.00 117.60 1kkd n LEU 85 Ca 0.05 -0.45 -0.04 0.00 -0.00 0.00 0.00 56.01 55.58 1kkd n LEU 85 Cb 0.38 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 43.90 1kkd n LEU 85 CO 0.16 0.08 0.67 0.55 -0.00 0.00 0.00 177.39 178.86 1kkd n VAL 86 N -1.25 0.00 0.00 1.47 3.14 -1.26 -5.04 118.33 115.39 1kkd n VAL 86 Ca 0.01 -0.77 0.00 0.00 -2.96 0.00 0.00 64.34 60.62 1kkd n VAL 86 Cb 0.13 1.07 0.00 0.00 -1.06 0.00 0.00 33.84 33.98 1kkd n VAL 86 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1kkd n ASP 87 N 0.33 0.00 -0.93 6.55 5.75 -1.26 -5.00 116.55 121.99 1kkd n ASP 87 Ca -0.07 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 54.76 1kkd n ASP 87 Cb 0.74 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 41.01 1kkd n ASP 87 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kkd n LEU 88 N 0.00 2.64 -2.13 -2.12 -0.00 -1.26 -4.88 117.00 109.24 1kkd n LEU 88 Ca 0.00 -1.33 -0.02 0.00 -0.00 0.00 0.00 56.01 54.66 1kkd n LEU 88 Cb 0.00 -0.42 0.00 0.00 -0.00 0.00 0.00 43.42 43.00 1kkd n LEU 88 CO 0.00 0.45 -0.09 0.00 -0.00 0.00 0.00 177.39 177.75 1kkd n ALA 89 N 0.42 -3.11 -3.09 1.47 0.00 -1.26 -5.04 120.51 109.91 1kkd n ALA 89 Ca 0.13 0.44 -0.20 0.00 0.00 0.00 0.00 53.44 53.80 1kkd n ALA 89 Cb 0.51 -1.28 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.08 0.72 0.00 0.00 2.85 -1.26 -4.84 118.16 115.55 1kkd n LYS 90 Ca 0.03 -2.86 0.00 0.00 -1.05 0.00 0.00 58.31 54.44 1kkd n LYS 90 Cb 0.13 -1.28 0.00 0.00 -0.65 0.00 0.00 35.03 33.23 1kkd n LYS 90 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1kkd n THR 91 N 1.49 0.00 -0.01 0.58 5.66 -1.26 -5.18 114.28 115.57 1kkd n THR 91 Ca 0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.18 1kkd n THR 91 Cb 0.55 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 1kkd n THR 91 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02