#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl2 s ALA 2 N 0.00 2.18 0.04 -5.12 0.00 -0.51 -5.01 121.76 113.34 2kl2 s ALA 2 Ca 0.00 -1.77 0.03 0.00 0.00 0.00 0.00 51.96 50.22 2kl2 s ALA 2 Cb 0.00 1.24 -0.02 0.00 0.00 0.00 0.00 23.12 24.34 2kl2 s ALA 2 CO 0.00 -0.55 -0.09 -1.01 0.00 0.00 0.00 175.76 174.10 2kl2 s HIS 3 N -3.41 0.80 0.42 0.00 0.09 -1.26 -0.82 115.29 111.11 2kl2 s HIS 3 Ca 0.35 -0.42 0.04 0.00 -0.00 0.00 0.00 55.06 55.04 2kl2 s HIS 3 Cb 0.03 -0.47 -0.02 0.00 -0.00 0.00 0.00 32.58 32.11 2kl2 s HIS 3 CO 0.23 -0.04 0.15 0.96 -0.00 0.00 0.00 174.74 176.04 2kl2 s ILE 4 N -1.12 0.48 -0.02 0.60 -4.36 -0.04 -3.19 121.20 113.55 2kl2 s ILE 4 Ca -0.06 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.34 2kl2 s ILE 4 Cb -0.09 -2.30 0.02 0.00 1.25 0.00 0.00 42.46 41.34 2kl2 s ILE 4 CO 0.01 0.00 -0.01 0.12 0.24 0.00 0.00 174.94 175.30 2kl2 s PHE 5 N -3.19 0.29 0.17 1.37 5.36 -0.75 -1.43 117.98 119.80 2kl2 s PHE 5 Ca 0.23 -0.01 -0.30 0.00 -0.96 0.00 0.00 56.93 55.89 2kl2 s PHE 5 Cb 0.02 -0.32 -0.08 0.00 -0.34 0.00 0.00 43.02 42.29 2kl2 s PHE 5 CO 0.16 -0.09 1.17 0.14 -1.46 0.00 0.00 175.22 175.14 2kl2 s VAL 6 N 0.66 3.72 -1.68 3.12 -7.23 -0.92 -4.64 120.40 113.43 2kl2 s VAL 6 Ca -0.07 1.43 0.21 0.00 -1.81 0.00 0.00 61.98 61.74 2kl2 s VAL 6 Cb -0.10 -3.91 0.47 0.00 0.56 0.00 0.00 36.38 33.40 2kl2 s VAL 6 CO -0.01 0.22 1.66 0.00 -0.31 0.00 0.00 175.10 176.65 2kl2 n TYR 7 N 2.64 0.00 0.00 2.82 0.18 -1.26 -4.30 117.16 117.24 2kl2 n TYR 7 Ca 0.04 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.82 2kl2 n TYR 7 Cb 0.45 -0.16 0.00 0.00 -0.38 0.00 0.00 39.34 39.25 2kl2 n TYR 7 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2kl2 n GLY 8 N 0.41 0.02 0.02 -7.48 0.00 -1.26 -3.98 105.19 92.91 2kl2 n GLY 8 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.28 2kl2 n GLY 8 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kl2 n THR 9 N 0.00 0.00 -3.10 2.61 -2.24 -1.26 -4.05 114.28 106.24 2kl2 n THR 9 Ca 0.00 -0.01 -0.16 0.00 -2.27 0.00 0.00 64.05 61.60 2kl2 n THR 9 Cb 0.00 -0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 67.99 2kl2 n THR 9 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kl2 n LEU 10 N -1.37 0.78 0.00 3.22 4.32 -1.26 -3.30 117.00 119.38 2kl2 n LEU 10 Ca 0.09 -4.78 0.00 0.00 -0.02 0.00 0.00 56.01 51.29 2kl2 n LEU 10 Cb 0.32 0.69 0.00 0.00 -1.62 0.00 0.00 43.42 42.80 2kl2 n LEU 10 CO 0.28 2.18 0.00 1.17 -1.22 0.00 0.00 177.39 179.81 2kl2 n LYS 11 N 0.23 0.00 0.29 3.23 3.00 -1.26 -4.94 118.16 118.71 2kl2 n LYS 11 Ca 0.22 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.41 2kl2 n LYS 11 Cb 0.68 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.66 2kl2 n LYS 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kl2 h ARG 12 N 0.00 -0.75 0.00 1.64 2.47 -1.94 -3.45 114.38 112.36 2kl2 h ARG 12 Ca 0.00 0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.75 2kl2 h ARG 12 Cb 0.00 0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.47 2kl2 h ARG 12 CO 0.00 -0.50 -0.04 0.41 0.56 0.00 0.00 179.97 180.41 2kl2 n GLY 13 N -0.27 -0.45 3.75 0.04 0.00 -1.26 -5.16 105.19 101.84 2kl2 n GLY 13 Ca -0.10 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 2kl2 n GLY 13 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kl2 s GLN 14 N 0.01 2.42 0.00 1.61 1.11 -1.26 -4.88 119.66 118.66 2kl2 s GLN 14 Ca 0.00 1.55 0.05 0.00 0.01 0.00 0.00 55.36 56.97 2kl2 s GLN 14 Cb 0.02 -1.89 0.21 0.00 -1.01 0.00 0.00 33.01 30.34 2kl2 s GLN 14 CO -0.01 -1.58 1.16 -0.35 0.01 0.00 0.00 175.29 174.52 2kl2 n PRO 15 N -2.67 0.00 -0.01 2.91 -0.04 -1.26 -0.99 135.00 132.94 2kl2 n PRO 15 Ca 0.12 0.42 0.09 0.00 -0.04 0.00 0.00 63.50 64.09 2kl2 n PRO 15 Cb 0.51 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.31 2kl2 n PRO 15 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2kl2 n ASN 16 N -1.50 0.04 -0.32 3.54 3.02 -1.26 -4.58 115.26 114.21 2kl2 n ASN 16 Ca 0.01 0.02 0.06 0.00 -0.03 0.00 0.00 54.58 54.64 2kl2 n ASN 16 Cb 0.06 1.85 0.22 0.00 -0.61 0.00 0.00 39.78 41.30 2kl2 n ASN 16 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 2kl2 h HIS 17 N 0.00 0.91 -1.07 3.10 2.76 -1.05 -1.58 115.15 118.22 2kl2 h HIS 17 Ca -0.04 0.03 0.31 0.00 -2.20 0.00 0.00 60.37 58.47 2kl2 h HIS 17 Cb 1.09 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 29.74 2kl2 h HIS 17 CO 0.00 0.31 0.80 1.57 -1.30 0.00 0.00 177.93 179.31 2kl2 h LYS 18 N 0.78 0.00 -0.83 5.26 5.09 -1.81 -0.97 116.57 124.10 2kl2 h LYS 18 Ca 0.46 0.00 0.01 0.00 0.09 0.00 0.00 60.65 61.21 2kl2 h LYS 18 Cb 0.54 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.83 2kl2 h LYS 18 CO -0.30 0.00 0.55 -0.39 -2.09 0.00 0.00 179.45 177.22 2kl2 h VAL 19 N 0.00 1.20 0.00 0.07 -1.51 -1.62 -1.94 116.25 112.46 2kl2 h VAL 19 Ca 0.51 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 65.60 2kl2 h VAL 19 Cb 2.10 -0.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 2kl2 h VAL 19 CO -0.01 0.20 0.00 1.15 -1.23 0.00 0.00 177.57 177.69 2kl2 n MET 20 N -4.52 0.13 -0.07 5.19 0.00 -0.37 -2.72 117.12 114.77 2kl2 n MET 20 Ca 0.09 0.04 0.09 0.00 0.00 0.00 0.00 57.70 57.93 2kl2 n MET 20 Cb 0.02 -1.50 0.37 0.00 0.00 0.00 0.00 33.22 32.12 2kl2 n MET 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2kl2 n LEU 21 N -1.43 1.30 -4.08 3.17 4.77 -0.73 -4.52 117.00 115.48 2kl2 n LEU 21 Ca 0.08 -0.56 -0.35 0.00 -0.03 0.00 0.00 56.01 55.16 2kl2 n LEU 21 Cb 0.28 -0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 41.15 2kl2 n LEU 21 CO 0.23 0.28 -0.17 -1.81 -1.33 0.00 0.00 177.39 174.59 2kl2 s ASP 22 N -1.49 5.07 0.65 -1.43 1.01 -1.10 -4.98 116.67 114.40 2kl2 s ASP 22 Ca 0.29 -2.28 0.41 0.00 0.71 0.00 0.00 52.55 51.69 2kl2 s ASP 22 Cb 0.15 -1.77 2.30 0.00 1.01 0.00 0.00 42.92 44.61 2kl2 s ASP 22 CO 0.23 -0.45 2.35 -0.74 0.21 0.00 0.00 175.17 176.77 2kl2 h HIS 23 N 7.66 0.00 0.00 4.23 -0.00 -1.79 -0.11 115.15 125.13 2kl2 h HIS 23 Ca -0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.25 2kl2 h HIS 23 Cb 1.01 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.42 2kl2 h HIS 23 CO 0.56 0.00 -0.17 0.77 -0.00 0.00 0.00 177.93 179.08 2kl2 h SER 24 N 0.00 0.00 0.34 3.26 0.02 -1.94 -0.89 113.55 114.34 2kl2 h SER 24 Ca -0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 2kl2 h SER 24 Cb 0.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2kl2 h SER 24 CO 0.00 0.17 -0.47 0.45 -1.14 0.00 0.00 176.83 175.84 2kl2 h HIS 25 N 0.00 0.20 0.00 3.45 3.86 -1.31 -3.49 115.15 117.85 2kl2 h HIS 25 Ca -0.00 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 2kl2 h HIS 25 Cb 0.61 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.04 2kl2 h HIS 25 CO 0.00 0.61 0.00 0.41 0.86 0.00 0.00 177.93 179.81 2kl2 n GLY 26 N -0.08 0.18 3.74 2.45 0.00 -0.34 -3.12 105.19 108.02 2kl2 n GLY 26 Ca -0.02 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 2kl2 n GLY 26 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kl2 s LEU 27 N 0.00 4.51 -0.28 0.99 1.98 -1.26 -4.21 118.68 120.41 2kl2 s LEU 27 Ca 0.00 1.71 -0.03 0.00 -2.89 0.00 0.00 54.13 52.92 2kl2 s LEU 27 Cb 0.00 -3.47 0.11 0.00 0.66 0.00 0.00 46.19 43.49 2kl2 s LEU 27 CO 0.00 0.01 0.20 0.00 -1.89 0.00 0.00 176.35 174.67 2kl2 s ALA 28 N -0.25 0.14 -0.07 5.97 0.00 -1.26 -2.85 121.76 123.45 2kl2 s ALA 28 Ca 0.43 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.68 2kl2 s ALA 28 Cb -0.23 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 2kl2 s ALA 28 CO 0.28 -1.65 -0.00 0.00 0.00 0.00 0.00 175.76 174.39 2kl2 s ALA 29 N 2.22 3.26 -1.09 0.00 0.00 0.17 -4.96 121.76 121.35 2kl2 s ALA 29 Ca 0.09 -0.84 -0.23 0.00 0.00 0.00 0.00 51.96 50.98 2kl2 s ALA 29 Cb -0.15 -1.43 -0.10 0.00 0.00 0.00 0.00 23.12 21.43 2kl2 s ALA 29 CO -0.34 0.60 1.93 0.34 0.00 0.00 0.00 175.76 178.29 2kl2 n PHE 30 N 2.00 2.56 -1.89 0.00 7.35 -1.26 -1.03 117.46 125.19 2kl2 n PHE 30 Ca -0.18 -1.55 -0.40 0.00 -0.76 0.00 0.00 57.45 54.56 2kl2 n PHE 30 Cb 0.53 -2.42 -0.01 0.00 0.35 0.00 0.00 39.48 37.94 2kl2 n PHE 30 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2kl2 n ARG 31 N 8.01 4.14 0.00 -4.13 3.00 -1.13 -4.76 116.66 121.78 2kl2 n ARG 31 Ca 0.46 -3.16 0.00 0.00 -0.00 0.00 0.00 57.85 55.15 2kl2 n ARG 31 Cb 0.45 -2.76 0.00 0.00 0.00 0.00 0.00 32.46 30.16 2kl2 n ARG 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kl2 n GLY 32 N 2.44 -2.59 3.52 5.14 0.00 -1.26 -4.55 105.19 107.89 2kl2 n GLY 32 Ca 0.61 -1.69 -0.24 0.00 0.00 0.00 0.00 46.02 44.70 2kl2 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kl2 s ARG 33 N -0.63 1.86 0.14 1.61 0.52 0.05 -2.12 118.95 120.38 2kl2 s ARG 33 Ca 0.00 -1.68 -0.24 0.00 -0.52 0.00 0.00 55.73 53.29 2kl2 s ARG 33 Cb 0.00 -1.88 0.08 0.00 0.52 0.00 0.00 34.95 33.67 2kl2 s ARG 33 CO 0.00 0.33 1.08 0.20 0.02 0.00 0.00 175.30 176.93 2kl2 s GLY 34 N -3.56 0.02 0.12 -3.53 0.00 -1.18 -0.71 107.32 98.47 2kl2 s GLY 34 Ca 0.31 -0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.88 2kl2 s GLY 34 CO 0.16 2.51 -0.09 0.00 0.00 0.00 0.00 173.10 175.69 2kl2 s THR 36 N -3.13 4.47 0.07 0.00 -4.23 -0.57 -0.32 115.64 111.92 2kl2 s THR 36 Ca 0.11 1.71 -0.15 0.00 -1.18 0.00 0.00 61.69 62.19 2kl2 s THR 36 Cb 0.02 -4.32 -0.19 0.00 1.34 0.00 0.00 72.50 69.35 2kl2 s THR 36 CO -0.01 -0.39 1.24 0.58 -0.54 0.00 0.00 174.62 175.50 2kl2 h VAL 37 N 5.69 1.31 -2.24 2.29 2.07 -1.79 -3.36 116.25 120.22 2kl2 h VAL 37 Ca -0.22 -2.01 -0.56 0.00 0.82 0.00 0.00 66.70 64.74 2kl2 h VAL 37 Cb 1.07 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 2kl2 h VAL 37 CO 1.02 0.62 1.40 -1.61 0.02 0.00 0.00 177.57 179.01 2kl2 s GLU 38 N -3.58 3.02 0.31 1.57 2.02 -1.25 -4.92 118.70 115.87 2kl2 s GLU 38 Ca -0.11 1.50 -0.30 0.00 0.02 0.00 0.00 54.97 56.08 2kl2 s GLU 38 Cb 0.07 -4.33 -0.12 0.00 0.10 0.00 0.00 34.13 29.86 2kl2 s GLU 38 CO 0.88 -2.23 1.58 0.43 0.02 0.00 0.00 175.26 175.94 2kl2 n SER 39 N 11.77 3.84 -4.20 -0.19 7.64 -1.26 -4.76 113.62 126.46 2kl2 n SER 39 Ca 0.26 1.16 -0.17 0.00 1.01 0.00 0.00 58.87 61.13 2kl2 n SER 39 Cb 0.48 -1.60 -0.11 0.00 -1.01 0.00 0.00 64.21 61.97 2kl2 n SER 39 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2kl2 s PHE 40 N -0.19 1.27 -0.91 1.43 0.08 -0.84 -0.48 117.98 118.34 2kl2 s PHE 40 Ca 0.62 -0.54 -0.24 0.00 0.12 0.00 0.00 56.93 56.89 2kl2 s PHE 40 Cb -0.49 -0.68 -0.00 0.00 -0.57 0.00 0.00 43.02 41.27 2kl2 s PHE 40 CO 0.51 0.08 1.71 -1.25 -0.10 0.00 0.00 175.22 176.17 2kl2 s PRO 41 N -2.37 2.99 -0.65 0.24 0.04 -1.20 -3.90 135.00 130.16 2kl2 s PRO 41 Ca 0.04 -0.52 -0.26 0.00 0.04 0.00 0.00 61.00 60.30 2kl2 s PRO 41 Cb -0.06 -5.05 0.04 0.00 0.04 0.00 0.00 34.50 29.46 2kl2 s PRO 41 CO 0.02 -2.80 1.16 -1.17 0.04 0.00 0.00 177.00 174.25 2kl2 s LEU 42 N 7.79 3.54 -0.07 -3.56 0.20 -1.26 -3.32 118.68 122.01 2kl2 s LEU 42 Ca 0.58 -0.31 0.05 0.00 0.69 0.00 0.00 54.13 55.14 2kl2 s LEU 42 Cb -0.05 -2.79 -0.00 0.00 -0.43 0.00 0.00 46.19 42.92 2kl2 s LEU 42 CO -0.01 -1.58 -0.22 0.68 -0.29 0.00 0.00 176.35 174.93 2kl2 s VAL 43 N 5.01 1.82 -0.55 1.68 -7.23 -0.37 -2.22 120.40 118.54 2kl2 s VAL 43 Ca 0.35 -0.91 -0.17 0.00 -1.81 0.00 0.00 61.98 59.45 2kl2 s VAL 43 Cb -0.10 -1.56 0.12 0.00 0.56 0.00 0.00 36.38 35.40 2kl2 s VAL 43 CO 0.19 0.51 0.53 -0.63 -0.31 0.00 0.00 175.10 175.39 2kl2 s ILE 44 N 0.12 5.14 0.43 -0.62 1.01 -1.26 -0.98 121.20 125.04 2kl2 s ILE 44 Ca -0.09 -1.40 0.06 0.00 0.00 0.00 0.00 60.65 59.22 2kl2 s ILE 44 Cb -0.15 -4.36 -0.06 0.00 0.01 0.00 0.00 42.46 37.90 2kl2 s ILE 44 CO 0.05 -0.91 0.07 0.00 0.00 0.00 0.00 174.94 174.15 2kl2 s ALA 45 N 1.80 3.50 0.02 9.38 0.00 -1.12 -4.84 121.76 130.50 2kl2 s ALA 45 Ca 0.05 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.14 2kl2 s ALA 45 Cb -0.29 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.80 2kl2 s ALA 45 CO 0.04 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.08 2kl2 n GLY 46 N -1.13 -2.79 0.00 0.00 0.00 -1.26 -1.35 105.19 98.67 2kl2 n GLY 46 Ca -0.06 -1.33 0.09 0.00 0.00 0.00 0.00 46.02 44.72 2kl2 n GLY 46 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kl2 n GLU 47 N -1.69 0.04 -0.46 1.61 4.07 -1.26 -1.16 120.64 121.80 2kl2 n GLU 47 Ca -0.00 0.18 0.10 0.00 -0.06 0.00 0.00 57.16 57.38 2kl2 n GLU 47 Cb 0.02 -1.50 0.31 0.00 -0.06 0.00 0.00 31.44 30.21 2kl2 n GLU 47 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2kl2 n HIS 48 N -1.47 1.13 -3.24 4.31 8.25 -1.26 -5.00 115.22 117.95 2kl2 n HIS 48 Ca 0.05 -0.57 -0.06 0.00 -0.26 0.00 0.00 57.72 56.88 2kl2 n HIS 48 Cb 0.20 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.18 2kl2 n HIS 48 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2kl2 n ASN 49 N 1.14 -7.09 -4.25 0.41 3.02 -0.31 -2.40 115.26 105.77 2kl2 n ASN 49 Ca 0.23 -0.29 -0.43 0.00 -0.03 0.00 0.00 54.58 54.05 2kl2 n ASN 49 Cb 0.73 -4.47 -0.04 0.00 -0.61 0.00 0.00 39.78 35.38 2kl2 n ASN 49 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2kl2 s ILE 50 N -3.01 5.00 0.11 2.41 1.01 -0.46 -2.87 121.20 123.40 2kl2 s ILE 50 Ca 0.01 -2.67 -0.35 0.00 0.00 0.00 0.00 60.65 57.65 2kl2 s ILE 50 Cb -0.00 -4.13 -0.15 0.00 0.01 0.00 0.00 42.46 38.19 2kl2 s ILE 50 CO 0.78 -0.98 1.53 -0.81 0.00 0.00 0.00 174.94 175.46 2kl2 n PRO 51 N 3.77 1.83 -4.51 2.79 -0.04 -1.26 -2.78 135.00 134.79 2kl2 n PRO 51 Ca 0.12 0.66 -0.23 0.00 -0.04 0.00 0.00 63.50 64.01 2kl2 n PRO 51 Cb 0.44 -2.39 -0.14 0.00 -0.04 0.00 0.00 33.50 31.37 2kl2 n PRO 51 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2kl2 s TRP 52 N 1.05 1.60 -1.85 0.54 0.52 -0.16 -4.97 118.94 115.67 2kl2 s TRP 52 Ca 0.82 -0.37 0.24 0.00 0.02 0.00 0.00 56.10 56.81 2kl2 s TRP 52 Cb -0.77 -0.95 0.25 0.00 -1.15 0.00 0.00 33.47 30.85 2kl2 s TRP 52 CO 0.42 0.08 1.25 1.28 0.02 0.00 0.00 176.95 180.00 2kl2 n LEU 53 N 1.81 1.59 -3.63 2.99 4.77 -1.26 -1.23 117.00 122.05 2kl2 n LEU 53 Ca -0.18 -0.56 -0.27 0.00 -0.03 0.00 0.00 56.01 54.98 2kl2 n LEU 53 Cb 0.54 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.59 2kl2 n LEU 53 CO 0.23 0.30 -0.21 0.18 -1.33 0.00 0.00 177.39 176.56 2kl2 n LEU 54 N -0.36 -2.63 -4.52 2.23 4.32 -1.21 -3.22 117.00 111.62 2kl2 n LEU 54 Ca 0.10 -0.61 -0.24 0.00 -0.02 0.00 0.00 56.01 55.24 2kl2 n LEU 54 Cb 0.42 -1.80 -0.17 0.00 -1.62 0.00 0.00 43.42 40.25 2kl2 n LEU 54 CO 0.29 0.06 1.93 0.00 -1.22 0.00 0.00 177.39 178.45 2kl2 n TYR 55 N -1.75 0.41 -3.29 -1.77 9.36 0.25 -4.46 117.16 115.91 2kl2 n TYR 55 Ca -0.21 0.06 -0.19 0.00 3.32 0.00 0.00 57.90 60.87 2kl2 n TYR 55 Cb 0.67 -1.36 -0.08 0.00 -0.63 0.00 0.00 39.34 37.94 2kl2 n TYR 55 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 2kl2 s LEU 56 N 5.22 0.31 0.36 2.98 1.98 -1.26 -4.97 118.68 123.30 2kl2 s LEU 56 Ca 1.23 -2.17 -0.28 0.00 -2.89 0.00 0.00 54.13 50.02 2kl2 s LEU 56 Cb -0.73 0.34 -0.11 0.00 0.66 0.00 0.00 46.19 46.35 2kl2 s LEU 56 CO 0.44 -0.20 1.46 -0.81 -1.89 0.00 0.00 176.35 175.35 2kl2 n PRO 57 N 3.55 2.58 -0.84 0.98 -0.04 -1.26 -2.60 135.00 137.38 2kl2 n PRO 57 Ca 0.19 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.55 2kl2 n PRO 57 Cb 0.47 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 2kl2 n PRO 57 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kl2 n GLY 58 N 0.67 1.07 3.88 0.55 0.00 0.37 -4.92 105.19 106.80 2kl2 n GLY 58 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2kl2 n GLY 58 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kl2 s LYS 59 N -0.10 3.59 4.01 1.61 2.47 -1.07 -4.89 119.74 125.36 2kl2 s LYS 59 Ca 0.00 -0.05 0.00 0.00 -1.56 0.00 0.00 55.97 54.36 2kl2 s LYS 59 Cb 0.00 -3.09 0.00 0.00 -1.46 0.00 0.00 37.83 33.28 2kl2 s LYS 59 CO 0.00 0.66 0.00 0.41 0.16 0.00 0.00 175.35 176.58 2kl2 n GLY 60 N 1.21 0.57 3.47 5.54 0.00 -1.26 -1.98 105.19 112.75 2kl2 n GLY 60 Ca -0.12 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 2kl2 n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kl2 s HIS 61 N 0.00 1.78 1.07 1.61 3.76 -1.25 -4.80 115.29 117.46 2kl2 s HIS 61 Ca 0.00 -1.28 -0.12 0.00 -0.15 0.00 0.00 55.06 53.51 2kl2 s HIS 61 Cb 0.00 -1.11 0.23 0.00 1.11 0.00 0.00 32.58 32.81 2kl2 s HIS 61 CO 0.00 -0.32 1.06 0.00 -0.85 0.00 0.00 174.74 174.63 2kl2 s VAL 63 N -2.61 0.69 0.60 0.00 1.01 -1.25 -4.16 120.40 114.67 2kl2 s VAL 63 Ca 0.67 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 2kl2 s VAL 63 Cb -0.23 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 2kl2 s VAL 63 CO 0.62 -0.15 1.12 0.42 0.00 0.00 0.00 175.10 177.11 2kl2 s THR 64 N 1.79 3.20 0.00 3.92 -4.23 -1.12 -1.52 115.64 117.68 2kl2 s THR 64 Ca -0.01 0.66 0.00 0.00 -1.18 0.00 0.00 61.69 61.16 2kl2 s THR 64 Cb -0.17 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.47 2kl2 s THR 64 CO -0.08 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 2kl2 n GLY 65 N -0.16 2.10 3.02 3.99 0.00 -0.40 -4.57 105.19 109.17 2kl2 n GLY 65 Ca 0.11 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 2kl2 n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kl2 s GLU 66 N 1.16 0.40 -0.06 1.61 2.02 -1.26 -3.07 118.70 119.51 2kl2 s GLU 66 Ca 0.00 -0.68 -0.12 0.00 0.02 0.00 0.00 54.97 54.19 2kl2 s GLU 66 Cb 0.00 0.15 -0.05 0.00 0.10 0.00 0.00 34.13 34.33 2kl2 s GLU 66 CO 0.00 -0.08 0.32 0.42 0.02 0.00 0.00 175.26 175.94 2kl2 s ILE 67 N -1.89 5.20 -0.09 -1.63 1.01 -0.90 -2.17 121.20 120.72 2kl2 s ILE 67 Ca -0.12 0.62 0.02 0.00 0.00 0.00 0.00 60.65 61.17 2kl2 s ILE 67 Cb -0.06 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.81 2kl2 s ILE 67 CO -0.02 0.56 -0.13 -0.31 0.00 0.00 0.00 174.94 175.04 2kl2 s TYR 68 N -0.83 1.69 0.23 3.97 2.02 -0.51 -2.85 117.35 121.06 2kl2 s TYR 68 Ca 0.20 -0.74 -0.30 0.00 -0.37 0.00 0.00 57.07 55.86 2kl2 s TYR 68 Cb -0.15 -1.26 -0.09 0.00 -0.40 0.00 0.00 41.96 40.07 2kl2 s TYR 68 CO 0.09 -0.41 1.28 -2.00 -1.57 0.00 0.00 175.55 172.94 2kl2 s GLU 69 N 1.00 4.42 0.21 -0.62 2.12 -0.20 -0.87 118.70 124.76 2kl2 s GLU 69 Ca -0.08 2.04 0.03 0.00 0.36 0.00 0.00 54.97 57.33 2kl2 s GLU 69 Cb -0.15 -3.17 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 2kl2 s GLU 69 CO -0.01 -0.18 -0.02 0.14 -0.54 0.00 0.00 175.26 174.66 2kl2 s VAL 70 N -0.28 1.02 0.54 3.70 -7.23 0.00 -0.66 120.40 117.49 2kl2 s VAL 70 Ca 0.53 -2.03 0.08 0.00 -1.81 0.00 0.00 61.98 58.75 2kl2 s VAL 70 Cb -0.36 -2.24 0.05 0.00 0.56 0.00 0.00 36.38 34.39 2kl2 s VAL 70 CO 0.41 -0.41 0.57 1.51 -0.31 0.00 0.00 175.10 176.88 2kl2 s ASP 71 N -3.27 4.91 0.23 4.85 -4.77 -1.13 -0.45 116.67 117.05 2kl2 s ASP 71 Ca 0.26 -1.00 -0.07 0.00 -3.30 0.00 0.00 52.55 48.45 2kl2 s ASP 71 Cb 0.05 0.23 0.30 0.00 -1.09 0.00 0.00 42.92 42.42 2kl2 s ASP 71 CO 0.07 -1.15 1.84 -0.33 0.70 0.00 0.00 175.17 176.30 2kl2 h GLU 72 N 0.53 0.87 -0.42 2.11 4.39 -1.97 -0.24 114.58 119.85 2kl2 h GLU 72 Ca -0.34 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.28 2kl2 h GLU 72 Cb 1.29 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.73 2kl2 h GLU 72 CO 0.50 0.58 0.18 0.37 -1.16 0.00 0.00 179.01 179.47 2kl2 h GLN 73 N 0.90 0.62 -0.30 2.33 5.75 -1.95 -0.18 115.11 122.27 2kl2 h GLN 73 Ca 0.35 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.73 2kl2 h GLN 73 Cb 0.16 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 2kl2 h GLN 73 CO -0.17 0.56 0.13 1.98 -2.65 0.00 0.00 178.83 178.69 2kl2 h MET 74 N 0.53 0.44 -0.60 1.69 4.05 -1.41 -0.31 114.93 119.31 2kl2 h MET 74 Ca 0.14 -0.07 -0.09 0.00 -0.28 0.00 0.00 59.70 59.40 2kl2 h MET 74 Cb 0.17 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 2kl2 h MET 74 CO -0.01 0.43 0.04 1.25 0.23 0.00 0.00 176.91 178.85 2kl2 h LEU 75 N 0.34 1.01 -0.79 3.39 5.85 -0.81 0.65 115.31 124.96 2kl2 h LEU 75 Ca 0.10 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 2kl2 h LEU 75 Cb 0.15 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 2kl2 h LEU 75 CO -0.01 1.05 0.31 0.03 -0.34 0.00 0.00 178.44 179.48 2kl2 h ARG 76 N 0.94 1.18 0.04 1.25 3.08 -0.97 -0.36 114.38 119.55 2kl2 h ARG 76 Ca 0.18 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2kl2 h ARG 76 Cb 0.51 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2kl2 h ARG 76 CO 0.02 0.96 -0.02 0.35 -1.07 0.00 0.00 179.97 180.21 2kl2 h PHE 77 N 1.15 -0.05 0.00 3.04 3.57 -0.53 -2.87 116.94 121.24 2kl2 h PHE 77 Ca 0.26 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 2kl2 h PHE 77 Cb 0.22 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 2kl2 h PHE 77 CO 0.02 0.25 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.18 2kl2 h LEU 78 N -0.36 0.00 0.00 0.59 4.07 -0.83 0.43 115.31 119.21 2kl2 h LEU 78 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2kl2 h LEU 78 Cb 0.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.07 2kl2 h LEU 78 CO 0.01 0.09 0.00 -0.67 -1.08 0.00 0.00 178.44 176.79 2kl2 n ASP 79 N -3.83 0.00 0.00 -0.43 2.03 -0.15 -2.44 116.55 111.73 2kl2 n ASP 79 Ca -0.02 -0.76 0.00 0.00 0.52 0.00 0.00 54.79 54.53 2kl2 n ASP 79 Cb 0.19 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 2kl2 n ASP 79 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kl2 n ASP 80 N -0.94 0.79 -0.21 1.67 -0.08 -0.62 -4.46 116.55 112.70 2kl2 n ASP 80 Ca 0.14 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.35 2kl2 n ASP 80 Cb 0.06 0.00 0.08 0.00 2.34 0.00 0.00 41.12 43.60 2kl2 n ASP 80 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2kl2 h PHE 81 N 0.00 1.10 0.00 -0.67 3.57 -0.98 -2.22 116.94 117.74 2kl2 h PHE 81 Ca 0.00 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.35 2kl2 h PHE 81 Cb 0.90 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.34 2kl2 h PHE 81 CO 0.00 0.93 0.00 0.39 -2.23 0.00 0.00 178.31 177.40 2kl2 n GLU 82 N -4.21 0.89 -1.28 1.11 -0.58 -1.02 -4.86 120.64 110.69 2kl2 n GLU 82 Ca 0.04 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.67 2kl2 n GLU 82 Cb 0.29 -1.07 -0.05 0.00 -0.57 0.00 0.00 31.44 30.04 2kl2 n GLU 82 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2kl2 n ASP 83 N -0.57 -5.37 -4.72 1.62 2.03 -0.84 -3.71 116.55 105.00 2kl2 n ASP 83 Ca 0.03 0.26 -0.34 0.00 0.52 0.00 0.00 54.79 55.26 2kl2 n ASP 83 Cb 0.01 -4.00 0.10 0.00 -0.72 0.00 0.00 41.12 36.51 2kl2 n ASP 83 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kl2 n PRO 85 N -2.76 0.42 0.00 0.00 -0.04 -1.26 -4.64 135.00 126.72 2kl2 n PRO 85 Ca 0.14 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2kl2 n PRO 85 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 2kl2 n PRO 85 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kl2 n SER 86 N -1.23 0.00 0.03 3.54 7.64 -0.65 -4.50 113.62 118.45 2kl2 n SER 86 Ca 0.12 0.73 -0.01 0.00 1.01 0.00 0.00 58.87 60.72 2kl2 n SER 86 Cb 0.17 -0.23 -0.01 0.00 -1.01 0.00 0.00 64.21 63.13 2kl2 n SER 86 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2kl2 h MET 87 N 0.00 -0.07 -6.42 1.43 2.86 -1.42 -3.46 114.93 107.85 2kl2 h MET 87 Ca 0.00 0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 57.16 2kl2 h MET 87 Cb 0.00 0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.68 2kl2 h MET 87 CO 0.00 -0.05 -0.21 0.71 1.06 0.00 0.00 176.91 178.42 2kl2 s TYR 88 N -2.31 2.02 -0.01 -0.22 2.02 -1.24 -4.80 117.35 112.81 2kl2 s TYR 88 Ca -0.01 -0.61 0.01 0.00 -0.37 0.00 0.00 57.07 56.08 2kl2 s TYR 88 Cb 0.00 -2.21 0.01 0.00 -0.40 0.00 0.00 41.96 39.36 2kl2 s TYR 88 CO 0.03 -0.71 -0.02 -0.65 -1.57 0.00 0.00 175.55 172.64 2kl2 s GLN 89 N -4.45 0.25 0.26 -0.62 1.11 0.50 -4.10 119.66 112.61 2kl2 s GLN 89 Ca 0.54 -0.03 -0.30 0.00 0.01 0.00 0.00 55.36 55.58 2kl2 s GLN 89 Cb -0.06 -0.31 -0.09 0.00 -1.01 0.00 0.00 33.01 31.54 2kl2 s GLN 89 CO 0.33 -0.01 1.09 0.50 0.01 0.00 0.00 175.29 177.21 2kl2 s ARG 90 N 0.34 4.65 0.03 2.91 3.00 -1.26 -0.83 118.95 127.78 2kl2 s ARG 90 Ca -0.03 1.76 -0.03 0.00 -1.00 0.00 0.00 55.73 56.43 2kl2 s ARG 90 Cb -0.06 -3.21 -0.02 0.00 0.00 0.00 0.00 34.95 31.66 2kl2 s ARG 90 CO -0.01 0.21 0.03 0.99 0.00 0.00 0.00 175.30 176.52 2kl2 s THR 91 N -0.99 0.14 0.00 4.11 2.01 0.15 -4.92 115.64 116.15 2kl2 s THR 91 Ca 0.45 -1.19 -0.17 0.00 0.31 0.00 0.00 61.69 61.08 2kl2 s THR 91 Cb -0.31 -0.83 -0.06 0.00 0.01 0.00 0.00 72.50 71.32 2kl2 s THR 91 CO 0.39 -0.66 0.48 0.00 -0.69 0.00 0.00 174.62 174.15 2kl2 s ALA 92 N -2.51 3.61 0.30 7.40 0.00 -1.26 -1.02 121.76 128.27 2kl2 s ALA 92 Ca -0.06 -0.12 -0.06 0.00 0.00 0.00 0.00 51.96 51.73 2kl2 s ALA 92 Cb -0.02 -2.54 -0.00 0.00 0.00 0.00 0.00 23.12 20.56 2kl2 s ALA 92 CO -0.05 0.35 0.44 -0.48 0.00 0.00 0.00 175.76 176.02 2kl2 s LEU 93 N -0.72 0.81 -0.32 0.00 -0.00 -0.74 -4.97 118.68 112.75 2kl2 s LEU 93 Ca 0.26 -1.30 -0.12 0.00 -0.00 0.00 0.00 54.13 52.97 2kl2 s LEU 93 Cb -0.17 1.43 -0.03 0.00 -0.00 0.00 0.00 46.19 47.42 2kl2 s LEU 93 CO 0.15 -1.20 0.22 -1.58 -0.00 0.00 0.00 176.35 173.94 2kl2 s GLN 94 N -3.48 3.67 -0.16 1.48 2.00 -1.26 -2.17 119.66 119.74 2kl2 s GLN 94 Ca 0.29 -0.52 0.01 0.00 -2.00 0.00 0.00 55.36 53.14 2kl2 s GLN 94 Cb 0.00 -3.75 0.00 0.00 0.80 0.00 0.00 33.01 30.07 2kl2 s GLN 94 CO 0.16 -0.34 -0.17 0.08 -0.50 0.00 0.00 175.29 174.51 2kl2 s VAL 95 N 1.74 2.42 0.35 1.34 1.01 -0.13 -2.19 120.40 124.94 2kl2 s VAL 95 Ca 0.06 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 2kl2 s VAL 95 Cb -0.17 -2.01 -0.09 0.00 0.00 0.00 0.00 36.38 34.11 2kl2 s VAL 95 CO 0.11 0.52 1.25 -1.58 0.00 0.00 0.00 175.10 175.40 2kl2 s GLN 96 N 0.93 4.25 -0.83 2.72 0.74 0.57 -0.64 119.66 127.40 2kl2 s GLN 96 Ca -0.04 2.07 -0.23 0.00 0.05 0.00 0.00 55.36 57.22 2kl2 s GLN 96 Cb -0.15 -2.94 0.07 0.00 1.10 0.00 0.00 33.01 31.09 2kl2 s GLN 96 CO -0.03 -0.22 1.19 0.08 -0.55 0.00 0.00 175.29 175.76 2kl2 s VAL 97 N -1.22 4.20 0.38 1.34 1.01 0.67 -2.53 120.40 124.24 2kl2 s VAL 97 Ca 0.52 -0.59 0.13 0.00 0.00 0.00 0.00 61.98 62.04 2kl2 s VAL 97 Cb -0.36 -4.85 0.10 0.00 0.00 0.00 0.00 36.38 31.27 2kl2 s VAL 97 CO 0.48 -1.67 1.85 -0.07 0.00 0.00 0.00 175.10 175.68 2kl2 h LEU 98 N 11.83 0.01 -7.00 3.92 -0.00 -1.21 -3.47 115.31 119.39 2kl2 h LEU 98 Ca -0.06 -0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.85 2kl2 h LEU 98 Cb 1.04 -0.00 -0.19 0.00 -0.00 0.00 0.00 40.66 41.51 2kl2 h LEU 98 CO 1.24 0.35 0.39 -0.70 -0.00 0.00 0.00 178.44 179.72 2kl2 s GLU 99 N -4.26 0.87 -0.02 1.13 2.12 -1.02 -4.84 118.70 112.67 2kl2 s GLU 99 Ca -0.03 -0.01 0.03 0.00 0.36 0.00 0.00 54.97 55.32 2kl2 s GLU 99 Cb 0.15 0.41 -0.00 0.00 0.26 0.00 0.00 34.13 34.94 2kl2 s GLU 99 CO 0.72 -0.32 -0.10 -0.46 -0.54 0.00 0.00 175.26 174.57 2kl2 s TRP 100 N -1.96 0.96 -0.27 5.30 -0.11 -1.26 -0.77 118.94 120.82 2kl2 s TRP 100 Ca -0.02 -0.23 0.00 0.00 1.22 0.00 0.00 56.10 57.07 2kl2 s TRP 100 Cb -0.01 -0.67 0.05 0.00 -1.50 0.00 0.00 33.47 31.35 2kl2 s TRP 100 CO -0.00 -0.08 -0.06 -1.21 -4.62 0.00 0.00 176.95 170.98 2kl2 s GLU 101 N 0.07 2.44 0.00 5.86 2.02 -1.26 -4.86 118.70 122.97 2kl2 s GLU 101 Ca -0.01 -1.24 0.00 0.00 0.02 0.00 0.00 54.97 53.74 2kl2 s GLU 101 Cb -0.07 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.14 2kl2 s GLU 101 CO 0.00 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.14 2kl2 n GLY 102 N 4.56 -0.33 3.71 -1.39 0.00 -1.26 -4.67 105.19 105.80 2kl2 n GLY 102 Ca -0.14 -2.25 -0.29 0.00 0.00 0.00 0.00 46.02 43.34 2kl2 n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kl2 s ASP 103 N -3.06 3.03 -0.07 1.61 2.15 -1.26 -4.72 116.67 114.35 2kl2 s ASP 103 Ca 0.00 1.23 -0.00 0.00 0.43 0.00 0.00 52.55 54.20 2kl2 s ASP 103 Cb 0.00 -1.89 -0.00 0.00 -0.30 0.00 0.00 42.92 40.73 2kl2 s ASP 103 CO 0.00 -2.88 0.07 0.61 -0.17 0.00 0.00 175.17 172.80 2kl2 n GLY 104 N -1.32 -0.30 3.31 2.66 0.00 -1.26 -5.01 105.19 103.27 2kl2 n GLY 104 Ca 0.06 -0.14 -0.46 0.00 0.00 0.00 0.00 46.02 45.48 2kl2 n GLY 104 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kl2 s ASP 105 N -2.17 6.75 0.32 1.61 2.15 -1.26 -4.96 116.67 119.10 2kl2 s ASP 105 Ca 0.00 -2.90 0.02 0.00 0.43 0.00 0.00 52.55 50.10 2kl2 s ASP 105 Cb -0.00 -2.18 0.59 0.00 -0.30 0.00 0.00 42.92 41.03 2kl2 s ASP 105 CO 0.07 -0.49 1.92 1.55 -0.17 0.00 0.00 175.17 178.04 2kl2 h PRO 106 N 7.47 0.92 0.00 4.34 0.13 -1.95 -3.49 132.00 139.42 2kl2 h PRO 106 Ca 0.12 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2kl2 h PRO 106 Cb 1.00 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2kl2 h PRO 106 CO 0.80 0.61 0.00 0.41 -0.23 0.00 0.00 178.00 179.59 2kl2 n GLY 107 N -1.41 0.47 0.29 1.56 0.00 -1.26 -4.90 105.19 99.94 2kl2 n GLY 107 Ca 0.13 -1.63 0.17 0.00 0.00 0.00 0.00 46.02 44.69 2kl2 n GLY 107 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2kl2 h ASP 108 N 0.00 0.00 -5.36 1.61 3.58 -1.95 -3.43 116.42 110.86 2kl2 h ASP 108 Ca 0.00 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.28 2kl2 h ASP 108 Cb 0.00 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 40.90 2kl2 h ASP 108 CO 0.00 0.05 -0.66 -0.55 -2.88 0.00 0.00 179.24 175.21 2kl2 s SER 109 N -5.78 0.37 0.03 2.28 0.15 -1.26 -0.24 113.70 109.25 2kl2 s SER 109 Ca -0.03 -1.16 -0.02 0.00 0.70 0.00 0.00 55.95 55.44 2kl2 s SER 109 Cb 0.12 0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 64.68 2kl2 s SER 109 CO 0.52 -0.70 0.01 0.54 1.20 0.00 0.00 173.24 174.81 2kl2 s VAL 110 N -4.01 0.14 -0.24 4.45 0.11 0.19 -4.79 120.40 116.24 2kl2 s VAL 110 Ca 0.20 -1.12 -0.26 0.00 -2.93 0.00 0.00 61.98 57.87 2kl2 s VAL 110 Cb 0.08 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 2kl2 s VAL 110 CO -0.01 -0.62 0.90 -1.58 -3.33 0.00 0.00 175.10 170.47 2kl2 s GLN 111 N -2.20 4.20 0.46 1.54 -0.44 -1.26 -0.96 119.66 121.01 2kl2 s GLN 111 Ca -0.09 1.08 0.03 0.00 -2.50 0.00 0.00 55.36 53.88 2kl2 s GLN 111 Cb -0.04 -3.65 -0.03 0.00 -1.64 0.00 0.00 33.01 27.65 2kl2 s GLN 111 CO -0.03 -0.56 0.03 0.00 0.50 0.00 0.00 175.29 175.22 2kl2 s PHE 113 N -2.93 3.16 0.02 0.00 0.08 -1.19 -1.79 117.98 115.33 2kl2 s PHE 113 Ca 0.16 0.15 0.01 0.00 0.12 0.00 0.00 56.93 57.37 2kl2 s PHE 113 Cb 0.04 -1.71 -0.02 0.00 -0.57 0.00 0.00 43.02 40.76 2kl2 s PHE 113 CO 0.08 0.50 -0.05 0.08 -0.10 0.00 0.00 175.22 175.73 2kl2 s VAL 114 N -1.09 0.35 -0.01 -0.44 1.01 -0.19 -1.81 120.40 118.22 2kl2 s VAL 114 Ca 0.19 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 2kl2 s VAL 114 Cb -0.12 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 2kl2 s VAL 114 CO 0.10 -0.27 1.13 -0.31 0.00 0.00 0.00 175.10 175.75 2kl2 s TYR 115 N -0.99 3.41 0.00 5.22 2.02 -1.26 -0.67 117.35 125.08 2kl2 s TYR 115 Ca -0.08 1.39 0.00 0.00 -0.37 0.00 0.00 57.07 58.01 2kl2 s TYR 115 Cb -0.07 -3.33 0.00 0.00 -0.40 0.00 0.00 41.96 38.16 2kl2 s TYR 115 CO -0.00 -0.90 0.00 0.25 -1.57 0.00 0.00 175.55 173.33 2kl2 n THR 116 N 4.24 0.00 -3.78 -0.71 -2.24 -0.01 -4.76 114.28 107.02 2kl2 n THR 116 Ca 0.09 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.75 2kl2 n THR 116 Cb 0.48 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.63 2kl2 n THR 116 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2kl2 s THR 117 N -0.81 0.08 -0.04 4.28 -1.32 -1.26 -0.37 115.64 116.21 2kl2 s THR 117 Ca 0.00 -0.69 0.03 0.00 -1.21 0.00 0.00 61.69 59.81 2kl2 s THR 117 Cb 0.00 -0.87 -0.04 0.00 -1.51 0.00 0.00 72.50 70.08 2kl2 s THR 117 CO 0.00 -0.38 0.00 0.00 -2.21 0.00 0.00 174.62 172.03 2kl2 n ALA 118 N 0.73 1.91 -0.13 11.08 0.00 -1.26 -0.59 120.51 132.25 2kl2 n ALA 118 Ca -0.19 -0.23 0.03 0.00 0.00 0.00 0.00 53.44 53.05 2kl2 n ALA 118 Cb 0.59 0.22 0.23 0.00 0.00 0.00 0.00 19.45 20.48 2kl2 n ALA 118 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2kl2 n THR 119 N -2.23 1.69 -2.00 0.00 5.66 -1.26 -4.95 114.28 111.19 2kl2 n THR 119 Ca -0.06 -0.85 -0.33 0.00 -3.05 0.00 0.00 64.05 59.76 2kl2 n THR 119 Cb 0.61 -0.40 0.02 0.00 -1.55 0.00 0.00 70.33 69.01 2kl2 n THR 119 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2kl2 s TYR 120 N -2.03 2.81 0.86 1.09 -0.85 -1.26 -5.05 117.35 112.91 2kl2 s TYR 120 Ca 0.32 1.53 -0.10 0.00 -0.52 0.00 0.00 57.07 58.30 2kl2 s TYR 120 Cb 0.25 -3.11 0.11 0.00 0.38 0.00 0.00 41.96 39.59 2kl2 s TYR 120 CO 0.09 -1.36 1.12 0.00 -1.52 0.00 0.00 175.55 173.88 2kl2 s ALA 121 N -2.29 1.78 0.17 9.51 0.00 -1.26 -4.98 121.76 124.69 2kl2 s ALA 121 Ca 0.66 0.41 -0.08 0.00 0.00 0.00 0.00 51.96 52.95 2kl2 s ALA 121 Cb -0.19 -3.36 0.04 0.00 0.00 0.00 0.00 23.12 19.62 2kl2 s ALA 121 CO 0.36 -2.34 1.54 -1.00 0.00 0.00 0.00 175.76 174.33 2kl2 h PRO 122 N -1.55 0.89 -0.96 0.00 0.13 -2.02 -3.24 132.00 125.25 2kl2 h PRO 122 Ca -0.44 -0.42 0.28 0.00 -0.87 0.00 0.00 66.00 64.55 2kl2 h PRO 122 Cb 1.25 -0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 2kl2 h PRO 122 CO 0.46 1.07 0.45 1.05 -0.23 0.00 0.00 178.00 180.80 2kl2 h GLU 123 N 0.75 0.30 0.00 0.86 9.09 -2.03 -1.08 114.58 122.47 2kl2 h GLU 123 Ca 0.08 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.47 2kl2 h GLU 123 Cb 0.87 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.90 2kl2 h GLU 123 CO 0.08 0.20 0.00 -1.49 0.05 0.00 0.00 179.01 177.85 2kl2 h TRP 124 N 0.31 0.00 0.00 2.06 4.06 -1.95 -0.43 115.95 120.00 2kl2 h TRP 124 Ca 0.66 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.61 2kl2 h TRP 124 Cb 1.42 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.58 2kl2 h TRP 124 CO -0.10 0.00 0.00 -0.07 -3.56 0.00 0.00 178.44 174.71 2kl2 h LEU 125 N 0.00 0.00 -0.69 -4.49 3.38 -1.39 -3.24 115.31 108.89 2kl2 h LEU 125 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kl2 h LEU 125 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2kl2 h LEU 125 CO 0.00 0.00 -0.54 0.49 0.09 0.00 0.00 178.44 178.48 2kl2 n PHE 126 N -2.66 0.00 -1.68 1.13 3.72 -0.17 -4.98 117.46 112.82 2kl2 n PHE 126 Ca 0.00 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.08 2kl2 n PHE 126 Cb 0.21 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.80 2kl2 n PHE 126 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2kl2 s LEU 127 N -2.45 3.29 0.38 4.37 2.01 -1.22 -4.98 118.68 120.08 2kl2 s LEU 127 Ca 0.14 1.85 -0.28 0.00 0.01 0.00 0.00 54.13 55.85 2kl2 s LEU 127 Cb 0.15 -4.53 -0.11 0.00 0.01 0.00 0.00 46.19 41.72 2kl2 s LEU 127 CO 0.57 -1.58 1.46 -2.16 1.01 0.00 0.00 176.35 175.65 2kl2 s PRO 128 N -4.44 4.10 0.56 1.29 0.04 -1.26 -4.94 135.00 130.35 2kl2 s PRO 128 Ca 0.63 2.51 -0.12 0.00 0.04 0.00 0.00 61.00 64.06 2kl2 s PRO 128 Cb -0.18 -2.95 -0.05 0.00 0.04 0.00 0.00 34.50 31.37 2kl2 s PRO 128 CO 0.46 -0.52 0.97 0.71 0.04 0.00 0.00 177.00 178.66 2kl2 s TYR 129 N -1.13 3.56 0.06 0.56 2.02 -1.26 -4.33 117.35 116.82 2kl2 s TYR 129 Ca 0.53 1.27 0.01 0.00 -0.37 0.00 0.00 57.07 58.50 2kl2 s TYR 129 Cb -0.45 -2.67 -0.03 0.00 -0.40 0.00 0.00 41.96 38.40 2kl2 s TYR 129 CO 0.61 -0.51 -0.05 -1.01 -1.57 0.00 0.00 175.55 173.02 2kl2 s HIS 130 N -2.92 0.60 -1.12 2.71 3.76 -0.94 -5.01 115.29 112.37 2kl2 s HIS 130 Ca 0.55 -0.79 0.20 0.00 -0.15 0.00 0.00 55.06 54.87 2kl2 s HIS 130 Cb -0.11 -0.39 -0.18 0.00 1.11 0.00 0.00 32.58 33.02 2kl2 s HIS 130 CO 0.45 -0.21 0.88 -1.91 -0.85 0.00 0.00 174.74 173.10 2kl2 n GLU 131 N 0.67 0.59 -3.52 1.40 2.13 -1.26 -4.52 120.64 116.13 2kl2 n GLU 131 Ca -0.17 -0.18 -0.17 0.00 0.66 0.00 0.00 57.16 57.30 2kl2 n GLU 131 Cb 0.58 -1.44 -0.06 0.00 0.27 0.00 0.00 31.44 30.80 2kl2 n GLU 131 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2kl2 s SER 132 N -2.78 -0.61 0.05 4.31 0.01 -1.26 -2.81 113.70 110.61 2kl2 s SER 132 Ca 0.09 0.63 0.03 0.00 1.31 0.00 0.00 55.95 58.01 2kl2 s SER 132 Cb 0.15 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.86 2kl2 s SER 132 CO 0.77 -0.60 0.05 -0.47 0.41 0.00 0.00 173.24 173.40 2kl2 s TYR 133 N -1.35 3.15 0.28 2.43 5.04 -1.26 -5.05 117.35 120.60 2kl2 s TYR 133 Ca -0.09 0.08 -0.18 0.00 -2.44 0.00 0.00 57.07 54.44 2kl2 s TYR 133 Cb -0.00 -1.63 0.02 0.00 0.35 0.00 0.00 41.96 40.69 2kl2 s TYR 133 CO 0.07 0.51 0.67 0.34 -1.34 0.00 0.00 175.55 175.80 2kl2 s ASP 134 N -2.13 -0.18 0.00 4.32 -1.08 -1.26 -4.64 116.67 111.70 2kl2 s ASP 134 Ca 0.26 -0.75 0.18 0.00 -0.52 0.00 0.00 52.55 51.72 2kl2 s ASP 134 Cb -0.12 0.71 0.14 0.00 -1.46 0.00 0.00 42.92 42.19 2kl2 s ASP 134 CO 0.18 -1.34 1.07 -1.20 0.52 0.00 0.00 175.17 174.40 2kl2 n SER 135 N -0.55 2.49 -3.24 -0.34 7.64 -1.26 -4.76 113.62 113.60 2kl2 n SER 135 Ca -0.04 -1.75 -0.24 0.00 1.01 0.00 0.00 58.87 57.85 2kl2 n SER 135 Cb 0.60 0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.74 2kl2 n SER 135 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kl2 n GLU 136 N 1.00 1.39 -2.25 1.43 1.02 -1.26 -4.95 120.64 117.02 2kl2 n GLU 136 Ca 0.11 -3.74 -0.03 0.00 -0.02 0.00 0.00 57.16 53.48 2kl2 n GLU 136 Cb 0.45 -1.62 -0.01 0.00 -0.02 0.00 0.00 31.44 30.25 2kl2 n GLU 136 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kl2 n GLY 137 N 1.04 4.02 3.26 0.62 0.00 -1.26 -5.14 105.19 107.73 2kl2 n GLY 137 Ca 0.25 -1.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 2kl2 n GLY 137 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kl2 n PRO 138 N -0.09 -3.62 -3.02 1.61 -0.04 -1.26 -4.71 135.00 123.87 2kl2 n PRO 138 Ca -0.01 -1.06 -0.00 0.00 -0.04 0.00 0.00 63.50 62.39 2kl2 n PRO 138 Cb 0.06 -1.91 -0.00 0.00 -0.04 0.00 0.00 33.50 31.61 2kl2 n PRO 138 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2kl2 n HIS 139 N -5.31 -1.42 -0.73 0.54 8.25 -1.26 -4.82 115.22 110.47 2kl2 n HIS 139 Ca 0.08 0.63 -0.24 0.00 -0.26 0.00 0.00 57.72 57.94 2kl2 n HIS 139 Cb 0.55 -2.06 -0.02 0.00 1.12 0.00 0.00 29.99 29.58 2kl2 n HIS 139 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kl2 n GLY 140 N 1.12 2.86 2.24 -1.41 0.00 -1.26 -4.35 105.19 104.38 2kl2 n GLY 140 Ca -0.00 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 2kl2 n GLY 140 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kl2 n LEU 141 N 4.89 0.83 -4.59 0.99 -0.00 -1.26 -5.14 117.00 112.72 2kl2 n LEU 141 Ca 0.41 -4.87 -0.24 0.00 -0.00 0.00 0.00 56.01 51.31 2kl2 n LEU 141 Cb 0.17 0.48 -0.09 0.00 -0.00 0.00 0.00 43.42 43.98 2kl2 n LEU 141 CO 0.75 2.13 -0.36 -0.13 -0.00 0.00 0.00 177.39 179.78 2kl2 s ARG 142 N -1.66 2.03 0.39 1.47 1.81 -1.26 -4.85 118.95 116.86 2kl2 s ARG 142 Ca 0.37 -1.67 -0.28 0.00 -1.72 0.00 0.00 55.73 52.43 2kl2 s ARG 142 Cb 0.21 -1.94 -0.10 0.00 -0.45 0.00 0.00 34.95 32.66 2kl2 s ARG 142 CO -0.09 0.25 1.46 -0.47 -0.68 0.00 0.00 175.30 175.76 2kl2 s TYR 143 N -2.47 2.60 -0.51 -0.53 5.04 -1.14 -4.73 117.35 115.62 2kl2 s TYR 143 Ca 0.33 1.21 0.03 0.00 -2.44 0.00 0.00 57.07 56.20 2kl2 s TYR 143 Cb -0.03 -3.97 0.15 0.00 0.35 0.00 0.00 41.96 38.46 2kl2 s TYR 143 CO 0.18 -2.87 0.33 1.21 -1.34 0.00 0.00 175.55 173.06 2kl2 s ASN 144 N -0.25 3.57 0.00 4.32 2.47 -1.01 -4.91 114.94 119.12 2kl2 s ASN 144 Ca 0.54 -3.07 0.10 0.00 0.42 0.00 0.00 52.86 50.85 2kl2 s ASN 144 Cb -0.45 -1.12 0.58 0.00 -1.45 0.00 0.00 41.25 38.81 2kl2 s ASN 144 CO 0.61 -0.20 1.13 -0.81 -3.72 0.00 0.00 177.10 174.11 2kl2 n PRO 145 N 2.95 0.69 -2.95 0.43 -0.04 -1.26 -4.90 135.00 129.92 2kl2 n PRO 145 Ca 0.16 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.59 2kl2 n PRO 145 Cb 0.37 -1.22 0.01 0.00 -0.04 0.00 0.00 33.50 32.63 2kl2 n PRO 145 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2kl2 n ARG 146 N -0.72 -1.37 0.00 0.54 0.63 -1.26 -5.04 116.66 109.44 2kl2 n ARG 146 Ca 0.07 1.28 0.00 0.00 -0.92 0.00 0.00 57.85 58.29 2kl2 n ARG 146 Cb 0.03 -5.39 0.00 0.00 0.45 0.00 0.00 32.46 27.55 2kl2 n ARG 146 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2kl2 n GLU 147 N -1.98 0.00 0.00 -0.14 -0.00 -1.26 -4.67 120.64 112.59 2kl2 n GLU 147 Ca -0.01 0.01 0.10 0.00 -0.00 0.00 0.00 57.16 57.26 2kl2 n GLU 147 Cb 0.52 -0.41 0.52 0.00 -0.00 0.00 0.00 31.44 32.07 2kl2 n GLU 147 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 2kl2 n ASN 148 N -2.30 0.00 0.00 -1.84 0.23 -1.26 -5.27 115.26 104.83 2kl2 n ASN 148 Ca 0.00 0.13 0.00 0.00 -0.53 0.00 0.00 54.58 54.18 2kl2 n ASN 148 Cb 0.00 -0.35 0.00 0.00 -2.08 0.00 0.00 39.78 37.35 2kl2 n ASN 148 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22