#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkl s LYS 4 N 0.00 0.12 0.30 3.69 2.47 -0.72 -4.99 119.74 120.61 1kkl s LYS 4 Ca 0.00 0.19 0.07 0.00 -1.56 0.00 0.00 55.97 54.66 1kkl s LYS 4 Cb 0.00 0.04 -0.03 0.00 -1.46 0.00 0.00 37.83 36.38 1kkl s LYS 4 CO 0.00 -0.02 0.32 0.99 0.16 0.00 0.00 175.35 176.80 1kkl s THR 5 N 0.78 4.18 0.06 3.43 2.01 -1.26 -1.67 115.64 123.17 1kkl s THR 5 Ca -0.04 -1.22 -0.09 0.00 0.31 0.00 0.00 61.69 60.65 1kkl s THR 5 Cb -0.03 -3.41 -0.00 0.00 0.01 0.00 0.00 72.50 69.07 1kkl s THR 5 CO -0.12 -0.24 0.18 -0.36 -0.69 0.00 0.00 174.62 173.39 1kkl s PHE 6 N -2.18 0.11 -0.23 4.92 0.40 -0.48 -4.96 117.98 115.56 1kkl s PHE 6 Ca 0.39 -0.43 -0.05 0.00 -0.60 0.00 0.00 56.93 56.24 1kkl s PHE 6 Cb -0.08 -0.06 -0.01 0.00 0.51 0.00 0.00 43.02 43.38 1kkl s PHE 6 CO 0.28 -0.46 0.00 0.21 0.70 0.00 0.00 175.22 175.94 1kkl s LYS 7 N -3.08 3.47 -0.03 0.44 2.47 0.30 -2.28 119.74 121.02 1kkl s LYS 7 Ca -0.01 -0.58 -0.30 0.00 -1.56 0.00 0.00 55.97 53.52 1kkl s LYS 7 Cb 0.01 -3.13 -0.03 0.00 -1.46 0.00 0.00 37.83 33.22 1kkl s LYS 7 CO -0.07 -0.20 1.15 0.08 0.16 0.00 0.00 175.35 176.47 1kkl s VAL 8 N 1.53 4.35 -0.03 4.02 1.01 0.14 -1.77 120.40 129.64 1kkl s VAL 8 Ca 0.06 1.67 0.10 0.00 0.00 0.00 0.00 61.98 63.81 1kkl s VAL 8 Cb -0.15 -4.07 -0.15 0.00 0.00 0.00 0.00 36.38 32.01 1kkl s VAL 8 CO -0.01 0.04 0.18 0.35 0.00 0.00 0.00 175.10 175.66 1kkl n THR 9 N 4.39 0.14 -1.59 3.92 -2.24 0.23 -0.18 114.28 118.95 1kkl n THR 9 Ca 0.10 -0.27 -0.51 0.00 -2.27 0.00 0.00 64.05 61.10 1kkl n THR 9 Cb 0.47 0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.69 1kkl n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kkl n ALA 10 N -1.96 -0.81 0.22 6.98 0.00 0.53 -4.83 120.51 120.65 1kkl n ALA 10 Ca -0.05 0.50 0.10 0.00 0.00 0.00 0.00 53.44 53.99 1kkl n ALA 10 Cb 0.38 -2.08 0.48 0.00 0.00 0.00 0.00 19.45 18.24 1kkl n ALA 10 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1kkl h ASP 11 N 4.28 0.00 0.24 0.00 1.82 -1.91 -2.59 116.42 118.26 1kkl h ASP 11 Ca -0.46 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 1kkl h ASP 11 Cb 1.33 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.34 1kkl h ASP 11 CO 0.76 0.23 -0.47 -1.54 -1.61 0.00 0.00 179.24 176.61 1kkl n SER 12 N -3.46 1.03 -0.25 2.28 3.41 -1.26 -4.68 113.62 110.69 1kkl n SER 12 Ca -0.00 -0.82 0.03 0.00 -0.26 0.00 0.00 58.87 57.82 1kkl n SER 12 Cb 0.41 0.35 -0.01 0.00 -0.26 0.00 0.00 64.21 64.70 1kkl n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kkl n GLY 13 N 1.42 -1.40 3.48 5.00 0.00 -0.98 -4.43 105.19 108.29 1kkl n GLY 13 Ca 0.09 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 1kkl n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kkl s ILE 14 N -1.24 4.47 0.00 -0.61 1.01 0.11 -4.92 121.20 120.02 1kkl s ILE 14 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 59.43 1kkl s ILE 14 Cb 0.00 -4.84 0.00 0.00 0.01 0.00 0.00 42.46 37.63 1kkl s ILE 14 CO 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 174.94 173.33 1kkl n HIS 15 N 7.29 -0.25 0.00 3.97 1.44 -1.26 -4.33 115.22 122.08 1kkl n HIS 15 Ca 0.23 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.94 1kkl n HIS 15 Cb 0.49 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.60 1kkl n HIS 15 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1kkl n ALA 16 N -3.00 0.00 0.02 1.59 0.00 -1.26 -0.70 120.51 117.16 1kkl n ALA 16 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1kkl n ALA 16 Cb 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 1kkl n ALA 16 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1kkl h ARG 17 N 0.00 -0.24 -0.20 0.00 -0.00 -1.98 -2.39 114.38 109.58 1kkl h ARG 17 Ca 0.00 0.02 0.03 0.00 -0.00 0.00 0.00 59.98 60.03 1kkl h ARG 17 Cb 0.00 0.05 -0.03 0.00 -0.00 0.00 0.00 29.97 29.99 1kkl h ARG 17 CO 0.00 -0.16 -0.01 -1.35 -0.00 0.00 0.00 179.97 178.45 1kkl h PRO 18 N -0.25 0.04 -0.56 0.08 0.11 -1.81 -1.21 132.00 128.41 1kkl h PRO 18 Ca 0.08 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.29 1kkl h PRO 18 Cb 0.36 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.42 1kkl h PRO 18 CO -0.22 0.03 0.38 0.00 -0.21 0.00 0.00 178.00 177.98 1kkl h ALA 19 N 1.18 2.09 0.23 -0.75 0.00 -0.84 -1.04 119.26 120.13 1kkl h ALA 19 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1kkl h ALA 19 Cb 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1kkl h ALA 19 CO -0.17 -0.23 -0.11 1.15 0.00 0.00 0.00 179.25 179.90 1kkl h THR 20 N 0.32 0.82 -0.09 0.00 2.02 -0.70 -2.37 112.91 112.90 1kkl h THR 20 Ca 0.26 -0.26 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 1kkl h THR 20 Cb 0.60 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1kkl h THR 20 CO -0.06 0.06 -0.44 0.58 0.37 0.00 0.00 175.52 176.03 1kkl h VAL 21 N -0.44 1.32 -0.07 3.16 2.07 -0.89 -1.98 116.25 119.42 1kkl h VAL 21 Ca -0.03 -1.59 -0.00 0.00 0.82 0.00 0.00 66.70 65.90 1kkl h VAL 21 Cb 0.33 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1kkl h VAL 21 CO 0.05 0.47 0.03 -0.07 0.02 0.00 0.00 177.57 178.08 1kkl h LEU 22 N 0.18 0.10 -0.74 2.57 3.38 -1.14 -1.45 115.31 118.22 1kkl h LEU 22 Ca 0.01 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 1kkl h LEU 22 Cb 0.86 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1kkl h LEU 22 CO 0.07 0.21 -0.62 -0.37 0.09 0.00 0.00 178.44 177.82 1kkl h VAL 23 N -0.02 1.44 -0.78 1.22 -1.51 -1.42 -1.52 116.25 113.65 1kkl h VAL 23 Ca 0.03 -2.13 -0.00 0.00 -1.23 0.00 0.00 66.70 63.36 1kkl h VAL 23 Cb 0.14 2.14 -0.04 0.00 -2.13 0.00 0.00 31.29 31.41 1kkl h VAL 23 CO -0.00 0.61 0.47 -0.61 -1.23 0.00 0.00 177.57 176.81 1kkl h GLN 24 N 0.02 1.06 -0.09 5.19 4.15 -1.18 0.28 115.11 124.54 1kkl h GLN 24 Ca -0.01 -0.09 -0.15 0.00 0.77 0.00 0.00 58.65 59.17 1kkl h GLN 24 Cb 1.11 -0.22 0.01 0.00 0.21 0.00 0.00 27.48 28.58 1kkl h GLN 24 CO 0.08 0.75 -0.53 1.15 -1.93 0.00 0.00 178.83 178.35 1kkl h THR 25 N 1.07 1.37 -0.56 2.39 2.02 -1.04 -3.24 112.91 114.91 1kkl h THR 25 Ca 0.28 -1.86 -0.02 0.00 0.77 0.00 0.00 66.41 65.58 1kkl h THR 25 Cb -0.04 2.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.57 1kkl h THR 25 CO -0.05 0.56 0.26 0.00 0.37 0.00 0.00 175.52 176.66 1kkl h ALA 26 N 0.46 0.73 -0.82 6.16 0.00 -1.04 -2.70 119.26 122.06 1kkl h ALA 26 Ca -0.04 -0.13 0.22 0.00 0.00 0.00 0.00 54.91 54.95 1kkl h ALA 26 Cb 1.18 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1kkl h ALA 26 CO 0.11 0.30 0.57 0.77 0.00 0.00 0.00 179.25 181.00 1kkl h SER 27 N 0.76 0.15 0.00 0.00 0.02 -0.48 -1.28 113.55 112.72 1kkl h SER 27 Ca 0.19 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1kkl h SER 27 Cb 0.13 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1kkl h SER 27 CO -0.02 0.06 0.00 0.29 -1.14 0.00 0.00 176.83 176.02 1kkl n LYS 28 N -4.38 0.30 -4.53 3.45 5.02 -1.02 -4.67 118.16 112.34 1kkl n LYS 28 Ca 0.17 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.17 1kkl n LYS 28 Cb 0.79 -1.32 -0.17 0.00 -0.02 0.00 0.00 35.03 34.31 1kkl n LYS 28 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1kkl s TYR 29 N -2.00 2.11 0.66 2.13 2.02 -0.49 -4.98 117.35 116.80 1kkl s TYR 29 Ca 0.09 -1.00 0.26 0.00 -0.37 0.00 0.00 57.07 56.06 1kkl s TYR 29 Cb 0.04 -1.50 1.43 0.00 -0.40 0.00 0.00 41.96 41.53 1kkl s TYR 29 CO 0.07 -0.49 1.81 -0.44 -1.57 0.00 0.00 175.55 174.93 1kkl h ASP 30 N 7.36 0.00 -4.09 2.29 3.32 -1.88 -3.42 116.42 120.01 1kkl h ASP 30 Ca -0.31 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.29 1kkl h ASP 30 Cb 1.18 0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.87 1kkl h ASP 30 CO 0.50 0.00 0.27 0.00 -1.72 0.00 0.00 179.24 178.29 1kkl s ALA 31 N -4.14 1.52 0.06 3.45 0.00 -1.26 -4.97 121.76 116.42 1kkl s ALA 31 Ca -0.03 -0.57 -0.12 0.00 0.00 0.00 0.00 51.96 51.24 1kkl s ALA 31 Cb 0.08 -3.02 -0.06 0.00 0.00 0.00 0.00 23.12 20.13 1kkl s ALA 31 CO 0.27 -2.53 0.42 -0.51 0.00 0.00 0.00 175.76 173.41 1kkl s ASP 32 N -3.95 6.72 -0.02 0.00 -0.00 0.13 -4.89 116.67 114.66 1kkl s ASP 32 Ca 0.65 0.88 0.00 0.00 -0.00 0.00 0.00 52.55 54.08 1kkl s ASP 32 Cb -0.14 -2.21 0.03 0.00 -0.00 0.00 0.00 42.92 40.59 1kkl s ASP 32 CO 0.54 0.21 0.02 0.68 -0.00 0.00 0.00 175.17 176.63 1kkl s VAL 33 N -1.30 -0.02 0.26 -1.27 -7.23 -1.26 -0.29 120.40 109.28 1kkl s VAL 33 Ca 0.30 0.19 0.12 0.00 -1.81 0.00 0.00 61.98 60.78 1kkl s VAL 33 Cb -0.15 -0.10 -0.05 0.00 0.56 0.00 0.00 36.38 36.64 1kkl s VAL 33 CO 0.17 0.09 -0.19 0.20 -0.31 0.00 0.00 175.10 175.05 1kkl s ASN 34 N 1.00 3.63 -0.06 4.85 -0.87 0.12 -1.16 114.94 122.45 1kkl s ASN 34 Ca -0.09 -0.96 0.00 0.00 -1.57 0.00 0.00 52.86 50.24 1kkl s ASN 34 Cb -0.12 -0.34 0.02 0.00 -0.02 0.00 0.00 41.25 40.80 1kkl s ASN 34 CO -0.03 0.06 -0.03 -0.22 -2.57 0.00 0.00 177.10 174.31 1kkl s LEU 35 N -3.33 1.06 0.07 0.60 0.20 -1.01 -1.08 118.68 115.19 1kkl s LEU 35 Ca 0.28 -0.12 0.09 0.00 0.69 0.00 0.00 54.13 55.07 1kkl s LEU 35 Cb -0.06 -0.47 -0.03 0.00 -0.43 0.00 0.00 46.19 45.20 1kkl s LEU 35 CO 0.14 -0.11 -0.22 -1.83 -0.29 0.00 0.00 176.35 174.04 1kkl s GLU 36 N 1.34 1.82 -0.26 1.98 4.04 -0.52 -1.80 118.70 125.30 1kkl s GLU 36 Ca -0.04 -1.12 -0.01 0.00 0.04 0.00 0.00 54.97 53.83 1kkl s GLU 36 Cb -0.13 -2.06 0.14 0.00 0.02 0.00 0.00 34.13 32.10 1kkl s GLU 36 CO -0.02 0.51 0.38 -0.47 -1.84 0.00 0.00 175.26 173.81 1kkl s TYR 37 N -0.94 -0.84 -1.03 4.83 6.04 -0.44 -2.14 117.35 122.82 1kkl s TYR 37 Ca 0.14 0.57 -0.03 0.00 0.04 0.00 0.00 57.07 57.79 1kkl s TYR 37 Cb -0.10 -0.09 -0.03 0.00 -1.04 0.00 0.00 41.96 40.70 1kkl s TYR 37 CO 0.05 -0.82 0.88 0.09 -1.54 0.00 0.00 175.55 174.21 1kkl n ASN 38 N 5.36 -4.07 0.00 4.32 5.03 -1.26 -2.98 115.26 121.66 1kkl n ASN 38 Ca -0.02 -0.61 0.00 0.00 0.87 0.00 0.00 54.58 54.82 1kkl n ASN 38 Cb 0.50 -4.79 0.00 0.00 -1.02 0.00 0.00 39.78 34.47 1kkl n ASN 38 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1kkl n GLY 39 N -1.18 2.12 3.74 7.41 0.00 -1.26 -4.98 105.19 111.03 1kkl n GLY 39 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1kkl n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kkl s LYS 40 N 0.00 4.65 -0.08 1.61 -0.14 -1.16 -5.05 119.74 119.57 1kkl s LYS 40 Ca 0.00 1.62 0.02 0.00 -1.36 0.00 0.00 55.97 56.25 1kkl s LYS 40 Cb 0.00 -3.31 0.01 0.00 -1.68 0.00 0.00 37.83 32.86 1kkl s LYS 40 CO 0.00 0.15 -0.13 0.99 -0.76 0.00 0.00 175.35 175.60 1kkl s THR 41 N -0.26 1.26 0.42 2.17 2.01 -1.26 -1.33 115.64 118.66 1kkl s THR 41 Ca 0.48 -0.53 0.06 0.00 0.31 0.00 0.00 61.69 62.01 1kkl s THR 41 Cb -0.27 -1.16 -0.07 0.00 0.01 0.00 0.00 72.50 71.01 1kkl s THR 41 CO 0.33 0.39 0.01 0.68 -0.69 0.00 0.00 174.62 175.34 1kkl s VAL 42 N 0.85 1.76 -0.14 3.82 -7.23 -0.75 -4.97 120.40 113.76 1kkl s VAL 42 Ca -0.10 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 57.81 1kkl s VAL 42 Cb -0.15 -2.82 -0.02 0.00 0.56 0.00 0.00 36.38 33.95 1kkl s VAL 42 CO 0.01 0.00 0.83 0.21 -0.31 0.00 0.00 175.10 175.84 1kkl s ASN 43 N -3.73 7.00 0.00 4.85 3.84 -1.26 -2.39 114.94 123.25 1kkl s ASN 43 Ca 0.29 1.23 0.21 0.00 0.21 0.00 0.00 52.86 54.80 1kkl s ASN 43 Cb 0.08 -2.46 0.97 0.00 -0.55 0.00 0.00 41.25 39.29 1kkl s ASN 43 CO 0.15 -0.35 1.69 -0.11 -2.79 0.00 0.00 177.10 175.69 1kkl n LEU 44 N 4.90 0.00 -0.04 3.21 0.00 -0.31 -2.72 117.00 122.04 1kkl n LEU 44 Ca 0.04 0.43 0.12 0.00 0.00 0.00 0.00 56.01 56.60 1kkl n LEU 44 Cb 0.49 -0.43 0.32 0.00 0.00 0.00 0.00 43.42 43.80 1kkl n LEU 44 CO 0.48 -0.12 0.55 0.29 0.00 0.00 0.00 177.39 178.59 1kkl n LYS 45 N -1.43 0.15 -3.98 1.96 5.02 -1.26 -4.03 118.16 114.58 1kkl n LYS 45 Ca 0.07 -0.08 -0.34 0.00 -2.02 0.00 0.00 58.31 55.94 1kkl n LYS 45 Cb 0.22 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.59 1kkl n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1kkl s SER 46 N -2.90 4.17 0.26 4.39 0.15 -1.10 -4.90 113.70 113.76 1kkl s SER 46 Ca 0.14 -0.85 -0.05 0.00 0.70 0.00 0.00 55.95 55.90 1kkl s SER 46 Cb 0.18 -1.64 0.32 0.00 -1.71 0.00 0.00 66.02 63.17 1kkl s SER 46 CO 0.65 -0.11 1.90 -0.29 1.20 0.00 0.00 173.24 176.59 1kkl h ILE 47 N 6.13 1.24 -0.47 6.45 2.10 -1.85 -3.07 117.51 128.03 1kkl h ILE 47 Ca -0.34 -0.55 0.09 0.00 1.08 0.00 0.00 64.86 65.14 1kkl h ILE 47 Cb 1.11 0.05 -0.08 0.00 -1.09 0.00 0.00 36.82 36.81 1kkl h ILE 47 CO 0.58 0.26 -0.03 0.24 -1.08 0.00 0.00 178.15 178.12 1kkl h MET 48 N 1.18 0.08 -0.52 2.19 2.86 -1.96 -1.35 114.93 117.43 1kkl h MET 48 Ca 0.31 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.95 1kkl h MET 48 Cb -0.02 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1kkl h MET 48 CO -0.05 0.06 0.33 0.78 1.06 0.00 0.00 176.91 179.08 1kkl h GLY 49 N 0.09 0.73 1.00 8.32 0.00 -1.85 -0.27 103.07 111.09 1kkl h GLY 49 Ca 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1kkl h GLY 49 CO -0.41 0.25 0.04 -2.08 0.00 0.00 0.00 176.54 174.33 1kkl h VAL 50 N 0.68 1.01 0.00 4.60 2.07 -1.40 -2.39 116.25 120.82 1kkl h VAL 50 Ca 0.20 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.61 1kkl h VAL 50 Cb -0.05 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1kkl h VAL 50 CO -0.06 0.01 -0.37 0.24 0.02 0.00 0.00 177.57 177.42 1kkl h MET 51 N 0.08 0.00 0.00 1.57 2.86 -1.14 -2.60 114.93 115.71 1kkl h MET 51 Ca 0.02 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1kkl h MET 51 Cb -0.01 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 1kkl h MET 51 CO -0.01 0.37 -0.08 0.66 1.06 0.00 0.00 176.91 178.91 1kkl h SER 52 N 0.00 0.00 0.69 1.22 4.64 -0.52 -1.48 113.55 118.10 1kkl h SER 52 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1kkl h SER 52 Cb 0.67 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1kkl h SER 52 CO 0.05 0.08 -0.15 -0.07 -0.87 0.00 0.00 176.83 175.87 1kkl h LEU 53 N 0.00 0.00 -1.41 5.97 3.38 -1.28 -3.47 115.31 118.50 1kkl h LEU 53 Ca -0.00 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.57 1kkl h LEU 53 Cb 0.20 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.04 1kkl h LEU 53 CO 0.01 0.15 -0.77 0.61 0.09 0.00 0.00 178.44 178.53 1kkl n GLY 54 N -0.22 -0.40 3.66 0.83 0.00 -0.56 -4.89 105.19 103.61 1kkl n GLY 54 Ca -0.01 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1kkl n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kkl s ILE 55 N -3.45 3.21 0.49 -0.61 1.01 -1.26 -4.94 121.20 115.65 1kkl s ILE 55 Ca 0.24 0.25 0.08 0.00 0.00 0.00 0.00 60.65 61.23 1kkl s ILE 55 Cb -0.12 -3.17 0.03 0.00 0.01 0.00 0.00 42.46 39.21 1kkl s ILE 55 CO 0.78 -0.03 0.55 0.00 0.00 0.00 0.00 174.94 176.24 1kkl s ALA 56 N 4.48 4.43 0.24 9.38 0.00 -1.26 0.05 121.76 139.09 1kkl s ALA 56 Ca 0.84 -1.79 -0.31 0.00 0.00 0.00 0.00 51.96 50.69 1kkl s ALA 56 Cb -0.39 -1.22 -0.11 0.00 0.00 0.00 0.00 23.12 21.39 1kkl s ALA 56 CO 0.37 -0.47 1.63 0.21 0.00 0.00 0.00 175.76 177.50 1kkl s LYS 57 N -4.36 4.15 0.00 0.00 2.20 -1.25 -1.82 119.74 118.65 1kkl s LYS 57 Ca 0.51 2.54 0.00 0.00 -0.36 0.00 0.00 55.97 58.66 1kkl s LYS 57 Cb -0.05 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.20 1kkl s LYS 57 CO 0.31 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 175.05 1kkl n GLY 58 N 3.06 0.72 3.79 5.54 0.00 0.75 -5.02 105.19 114.04 1kkl n GLY 58 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1kkl n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkl s ALA 59 N -2.66 2.68 -0.35 4.61 0.00 -0.76 -4.70 121.76 120.58 1kkl s ALA 59 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1kkl s ALA 59 Cb 0.00 -3.27 0.09 0.00 0.00 0.00 0.00 23.12 19.94 1kkl s ALA 59 CO 0.00 -0.87 0.07 -2.00 0.00 0.00 0.00 175.76 172.96 1kkl s GLU 60 N -3.92 1.93 0.17 0.00 2.12 -1.26 0.23 118.70 117.97 1kkl s GLU 60 Ca 0.66 -1.68 0.04 0.00 0.36 0.00 0.00 54.97 54.35 1kkl s GLU 60 Cb -0.18 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 1kkl s GLU 60 CO 0.35 -0.88 0.21 0.96 -0.54 0.00 0.00 175.26 175.36 1kkl s ILE 61 N 1.07 4.82 -0.16 -3.70 -0.00 -0.97 -4.64 121.20 117.63 1kkl s ILE 61 Ca 0.05 -0.96 -0.00 0.00 -0.00 0.00 0.00 60.65 59.73 1kkl s ILE 61 Cb -0.21 -3.49 0.03 0.00 -0.00 0.00 0.00 42.46 38.80 1kkl s ILE 61 CO -0.05 -0.13 -0.08 -0.89 -0.00 0.00 0.00 174.94 173.79 1kkl s THR 62 N -1.79 1.23 -0.22 8.37 2.01 -0.91 -1.39 115.64 122.95 1kkl s THR 62 Ca 0.33 -0.60 -0.12 0.00 0.31 0.00 0.00 61.69 61.60 1kkl s THR 62 Cb -0.10 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.04 1kkl s THR 62 CO 0.26 0.24 0.22 -0.63 -0.69 0.00 0.00 174.62 174.01 1kkl s ILE 63 N 1.60 5.33 0.12 1.82 1.09 -0.67 -1.43 121.20 129.05 1kkl s ILE 63 Ca 0.02 0.33 0.06 0.00 -1.10 0.00 0.00 60.65 59.96 1kkl s ILE 63 Cb -0.14 -3.55 -0.04 0.00 -1.06 0.00 0.00 42.46 37.67 1kkl s ILE 63 CO -0.08 0.35 -0.15 -0.94 -0.10 0.00 0.00 174.94 174.01 1kkl s SER 64 N 0.87 2.05 0.04 3.58 1.04 -0.24 -1.75 113.70 119.30 1kkl s SER 64 Ca 0.11 -0.77 -0.03 0.00 0.48 0.00 0.00 55.95 55.73 1kkl s SER 64 Cb -0.13 -0.08 -0.02 0.00 0.10 0.00 0.00 66.02 65.88 1kkl s SER 64 CO 0.04 -0.11 0.03 0.00 0.98 0.00 0.00 173.24 174.18 1kkl s ALA 65 N -1.91 0.19 -0.04 5.32 0.00 -1.26 0.10 121.76 124.16 1kkl s ALA 65 Ca 0.08 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 1kkl s ALA 65 Cb -0.06 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.35 1kkl s ALA 65 CO 0.03 -0.33 0.09 0.45 0.00 0.00 0.00 175.76 176.00 1kkl s SER 66 N -2.39 0.17 0.00 0.00 0.15 0.60 -4.58 113.70 107.65 1kkl s SER 66 Ca -0.01 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.80 1kkl s SER 66 Cb 0.01 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1kkl s SER 66 CO -0.07 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1kkl n GLY 67 N 4.41 1.77 0.13 9.45 0.00 -1.26 0.22 105.19 119.91 1kkl n GLY 67 Ca -0.23 -1.97 -0.07 0.00 0.00 0.00 0.00 46.02 43.75 1kkl n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkl h ALA 68 N 0.00 0.21 -0.17 4.61 0.00 -1.99 0.34 119.26 122.26 1kkl h ALA 68 Ca 0.00 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1kkl h ALA 68 Cb 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1kkl h ALA 68 CO 0.00 -0.45 0.24 -0.44 0.00 0.00 0.00 179.25 178.60 1kkl h ASP 69 N 0.02 0.00 0.00 0.00 3.45 -1.93 -3.38 116.42 114.59 1kkl h ASP 69 Ca 0.14 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.60 1kkl h ASP 69 Cb 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 1kkl h ASP 69 CO -0.29 0.00 0.00 1.21 -1.57 0.00 0.00 179.24 178.59 1kkl n GLU 70 N -3.56 0.00 0.38 3.56 2.13 0.11 -0.67 120.64 122.59 1kkl n GLU 70 Ca 0.01 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.67 1kkl n GLU 70 Cb 0.35 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.99 1kkl n GLU 70 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1kkl h ASN 71 N 0.00 -0.83 -1.15 4.31 2.35 -1.83 -1.97 115.58 116.45 1kkl h ASN 71 Ca 0.00 0.01 0.33 0.00 -0.55 0.00 0.00 56.30 56.09 1kkl h ASN 71 Cb 0.00 0.22 -0.10 0.00 0.05 0.00 0.00 38.32 38.49 1kkl h ASN 71 CO 0.00 -0.48 0.76 0.44 -1.65 0.00 0.00 177.43 176.50 1kkl h ASP 72 N -1.20 0.33 0.12 5.81 3.32 -1.20 0.78 116.42 124.37 1kkl h ASP 72 Ca -0.10 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1kkl h ASP 72 Cb 0.77 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1kkl h ASP 72 CO 0.17 -0.01 -0.06 0.00 -1.72 0.00 0.00 179.24 177.62 1kkl h ALA 73 N 1.58 -0.16 -0.11 3.45 0.00 -0.81 -2.10 119.26 121.11 1kkl h ALA 73 Ca 0.66 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.46 1kkl h ALA 73 Cb 1.94 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 1kkl h ALA 73 CO -0.29 -0.50 0.05 -0.07 0.00 0.00 0.00 179.25 178.44 1kkl h LEU 74 N -0.35 0.07 -0.27 0.00 3.38 0.12 -1.46 115.31 116.81 1kkl h LEU 74 Ca -0.02 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1kkl h LEU 74 Cb 0.28 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 1kkl h LEU 74 CO 0.03 0.06 -0.21 0.78 0.09 0.00 0.00 178.44 179.18 1kkl h ASN 75 N 0.11 -0.69 -0.21 -0.43 2.35 -0.48 0.30 115.58 116.54 1kkl h ASN 75 Ca 0.04 0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 1kkl h ASN 75 Cb 0.01 0.34 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1kkl h ASN 75 CO -0.03 -0.25 -0.00 0.00 -1.65 0.00 0.00 177.43 175.50 1kkl h ALA 76 N 0.91 1.42 -0.29 -0.83 0.00 -1.25 0.51 119.26 119.73 1kkl h ALA 76 Ca 0.15 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1kkl h ALA 76 Cb 0.43 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1kkl h ALA 76 CO -0.39 0.41 -0.42 -0.07 0.00 0.00 0.00 179.25 178.79 1kkl h LEU 77 N 0.47 0.86 -0.23 0.00 3.38 -0.26 0.50 115.31 120.02 1kkl h LEU 77 Ca 0.10 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 1kkl h LEU 77 Cb 0.31 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1kkl h LEU 77 CO 0.01 1.20 0.09 -0.08 0.09 0.00 0.00 178.44 179.75 1kkl h GLU 78 N 0.54 0.36 -0.80 1.13 4.81 0.12 0.12 114.58 120.87 1kkl h GLU 78 Ca 0.03 -0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.30 1kkl h GLU 78 Cb 1.01 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.28 1kkl h GLU 78 CO 0.10 0.41 0.52 0.93 -0.73 0.00 0.00 179.01 180.24 1kkl h GLU 79 N 0.22 0.64 0.08 1.92 5.08 0.17 -0.57 114.58 122.12 1kkl h GLU 79 Ca 0.08 -0.04 -0.25 0.00 -1.00 0.00 0.00 59.36 58.15 1kkl h GLU 79 Cb 0.20 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1kkl h GLU 79 CO -0.01 0.42 -1.12 1.15 -1.00 0.00 0.00 179.01 178.46 1kkl h THR 80 N 0.66 1.54 -0.49 1.13 2.02 -0.35 0.72 112.91 118.13 1kkl h THR 80 Ca 0.38 -3.03 -0.00 0.00 0.77 0.00 0.00 66.41 64.53 1kkl h THR 80 Cb 0.57 2.82 -0.02 0.00 -1.74 0.00 0.00 68.15 69.77 1kkl h THR 80 CO -0.15 0.88 0.29 0.24 0.37 0.00 0.00 175.52 177.16 1kkl h MET 81 N 0.08 0.67 0.27 6.66 2.07 0.26 0.16 114.93 125.09 1kkl h MET 81 Ca -0.09 -0.06 -0.01 0.00 -2.07 0.00 0.00 59.70 57.46 1kkl h MET 81 Cb 1.83 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 31.43 1kkl h MET 81 CO 0.18 0.49 -0.13 -0.22 1.07 0.00 0.00 176.91 178.29 1kkl h LYS 82 N 0.65 -0.35 -0.79 1.72 3.64 -1.13 0.41 116.57 120.72 1kkl h LYS 82 Ca 0.18 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.74 1kkl h LYS 82 Cb -0.01 0.08 -0.15 0.00 -0.41 0.00 0.00 32.23 31.74 1kkl h LYS 82 CO -0.03 -0.07 -0.19 1.03 -2.27 0.00 0.00 179.45 177.92 1kkl h SER 83 N -1.00 -0.73 -0.00 4.20 0.87 0.52 0.78 113.55 118.19 1kkl h SER 83 Ca -0.04 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1kkl h SER 83 Cb 0.45 0.49 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 1kkl h SER 83 CO 0.06 -0.26 0.00 -0.62 -0.53 0.00 0.00 176.83 175.48 1kkl n GLU 84 N -5.51 1.01 -3.71 2.24 -0.58 0.55 -4.91 120.64 109.73 1kkl n GLU 84 Ca 0.11 -0.01 -0.24 0.00 -0.42 0.00 0.00 57.16 56.60 1kkl n GLU 84 Cb 0.41 -1.40 0.05 0.00 -0.57 0.00 0.00 31.44 29.92 1kkl n GLU 84 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1kkl n ARG 85 N -0.89 -5.94 -0.02 3.49 1.74 0.27 -4.91 116.66 110.40 1kkl n ARG 85 Ca 0.19 0.69 -0.21 0.00 -0.77 0.00 0.00 57.85 57.75 1kkl n ARG 85 Cb 0.09 -5.51 -0.13 0.00 -1.02 0.00 0.00 32.46 25.89 1kkl n ARG 85 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1kkl n LEU 86 N -4.51 2.55 0.00 0.55 4.77 0.14 -4.11 117.00 116.39 1kkl n LEU 86 Ca -0.14 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1kkl n LEU 86 Cb 0.61 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1kkl n LEU 86 CO 0.69 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 178.14 1kkl n GLY 87 N 1.93 1.17 0.00 -0.72 0.00 -1.17 0.74 105.19 107.13 1kkl n GLY 87 Ca -0.33 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1kkl n GLY 87 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48