#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 -0.61 0.33 3.04 0.00 -1.26 -5.09 121.76 118.17 2kl2 s ALA 2 Ca 0.00 -1.16 -0.29 0.00 0.00 0.00 0.00 51.96 50.51 2kl2 s ALA 2 Cb 0.00 -2.21 -0.11 0.00 0.00 0.00 0.00 23.12 20.81 2kl2 s ALA 2 CO 0.00 -2.13 1.44 -1.01 0.00 0.00 0.00 175.76 174.06 2kl2 s HIS 3 N 0.80 2.82 0.32 0.00 0.09 -1.26 -4.20 115.29 113.86 2kl2 s HIS 3 Ca 0.27 1.15 0.06 0.00 -0.00 0.00 0.00 55.06 56.54 2kl2 s HIS 3 Cb -0.03 -3.90 -0.06 0.00 -0.00 0.00 0.00 32.58 28.59 2kl2 s HIS 3 CO -0.09 -2.70 -0.00 0.96 -0.00 0.00 0.00 174.74 172.90 2kl2 s ILE 4 N -0.75 1.53 -0.02 0.60 -4.36 0.03 -3.09 121.20 115.15 2kl2 s ILE 4 Ca 0.54 -2.05 0.02 0.00 -0.26 0.00 0.00 60.65 58.90 2kl2 s ILE 4 Cb -0.44 -2.69 0.00 0.00 1.25 0.00 0.00 42.46 40.58 2kl2 s ILE 4 CO 0.54 -0.13 -0.09 0.12 0.24 0.00 0.00 174.94 175.63 2kl2 s PHE 5 N -3.07 0.89 -0.30 1.37 5.36 -0.30 -1.60 117.98 120.33 2kl2 s PHE 5 Ca 0.33 -0.21 -0.29 0.00 -0.96 0.00 0.00 56.93 55.80 2kl2 s PHE 5 Cb 0.07 -0.63 -0.00 0.00 -0.34 0.00 0.00 43.02 42.12 2kl2 s PHE 5 CO 0.14 -0.08 1.33 0.14 -1.46 0.00 0.00 175.22 175.29 2kl2 s VAL 6 N 0.14 4.09 -1.61 3.12 -7.23 -1.06 -4.57 120.40 113.28 2kl2 s VAL 6 Ca -0.02 1.23 0.10 0.00 -1.81 0.00 0.00 61.98 61.48 2kl2 s VAL 6 Cb -0.08 -4.13 0.21 0.00 0.56 0.00 0.00 36.38 32.95 2kl2 s VAL 6 CO 0.00 -0.48 1.15 0.00 -0.31 0.00 0.00 175.10 175.46 2kl2 n TYR 7 N 7.76 0.00 0.00 2.82 4.11 -1.26 -4.67 117.16 125.92 2kl2 n TYR 7 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.05 2kl2 n TYR 7 Cb 0.47 -0.20 0.00 0.00 -0.00 0.00 0.00 39.34 39.61 2kl2 n TYR 7 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2kl2 n GLY 8 N -0.42 -0.63 0.00 -7.48 0.00 -1.26 -4.85 105.19 90.55 2kl2 n GLY 8 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.70 2.61 -2.24 -1.26 -4.57 114.28 107.12 2kl2 n THR 9 Ca 0.00 -0.25 0.04 0.00 -2.27 0.00 0.00 64.05 61.57 2kl2 n THR 9 Cb 0.00 0.50 0.18 0.00 -2.10 0.00 0.00 70.33 68.92 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 -1.67 2.69 0.00 3.22 7.99 -1.26 -2.80 117.00 125.17 2kl2 n LEU 10 Ca -0.01 -3.80 0.00 0.00 -0.01 0.00 0.00 56.01 52.19 2kl2 n LEU 10 Cb 0.25 -0.47 0.00 0.00 -0.11 0.00 0.00 43.42 43.09 2kl2 n LEU 10 CO 0.23 1.38 0.00 1.17 -1.51 0.00 0.00 177.39 178.65 2kl2 n LYS 11 N -0.97 0.00 0.00 3.23 0.00 -1.26 -4.91 118.16 114.25 2kl2 n LYS 11 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.50 2kl2 n LYS 11 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.77 2kl2 n LYS 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2kl2 n ARG 12 N -0.51 0.00 -0.02 1.64 5.12 -1.26 -4.81 116.66 116.82 2kl2 n ARG 12 Ca 0.00 0.30 0.00 0.00 -1.93 0.00 0.00 57.85 56.22 2kl2 n ARG 12 Cb 0.00 -1.06 0.00 0.00 -1.16 0.00 0.00 32.46 30.24 2kl2 n ARG 12 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kl2 n GLY 13 N -0.77 0.41 3.75 -0.13 0.00 -1.26 -5.05 105.19 102.14 2kl2 n GLY 13 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 2.79 0.13 1.61 1.11 -1.26 -4.67 119.66 119.37 2kl2 s GLN 14 Ca 0.00 1.85 0.18 0.00 0.01 0.00 0.00 55.36 57.40 2kl2 s GLN 14 Cb 0.00 -1.90 0.78 0.00 -1.01 0.00 0.00 33.01 30.88 2kl2 s GLN 14 CO 0.00 -1.35 1.56 -0.35 0.01 0.00 0.00 175.29 175.16 2kl2 n PRO 15 N -1.81 0.10 0.04 2.91 -0.04 -1.26 -2.48 135.00 132.46 2kl2 n PRO 15 Ca 0.14 0.36 0.13 0.00 -0.04 0.00 0.00 63.50 64.09 2kl2 n PRO 15 Cb 0.49 -1.69 0.34 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.87 0.51 -0.34 3.54 3.02 -1.26 -4.21 115.26 114.65 2kl2 n ASN 16 Ca 0.02 0.21 0.17 0.00 -0.03 0.00 0.00 54.58 54.95 2kl2 n ASN 16 Cb 0.18 -0.16 0.40 0.00 -0.61 0.00 0.00 39.78 39.58 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 0.94 -0.45 3.10 2.76 -1.31 -0.41 115.15 119.78 2kl2 h HIS 17 Ca 0.00 0.03 0.13 0.00 -2.20 0.00 0.00 60.37 58.33 2kl2 h HIS 17 Cb 0.62 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.29 2kl2 h HIS 17 CO 0.00 0.12 0.57 1.57 -1.30 0.00 0.00 177.93 178.89 2kl2 h LYS 18 N 0.60 0.00 -0.55 5.26 5.09 -1.86 -2.20 116.57 122.91 2kl2 h LYS 18 Ca 0.61 0.00 0.06 0.00 0.09 0.00 0.00 60.65 61.41 2kl2 h LYS 18 Cb 1.17 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 33.45 2kl2 h LYS 18 CO -0.39 0.00 0.25 -0.39 -2.09 0.00 0.00 179.45 176.83 2kl2 h VAL 19 N 0.00 0.90 0.00 0.07 -1.51 -1.38 -1.65 116.25 112.68 2kl2 h VAL 19 Ca 0.21 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.52 2kl2 h VAL 19 Cb 1.34 0.37 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 2kl2 h VAL 19 CO -0.00 0.09 0.00 0.23 -1.23 0.00 0.00 177.57 176.66 2kl2 n MET 20 N -4.91 0.17 -0.42 5.19 2.81 -0.83 -2.30 117.12 116.82 2kl2 n MET 20 Ca 0.06 0.13 0.11 0.00 -1.81 0.00 0.00 57.70 56.19 2kl2 n MET 20 Cb 0.18 -1.50 0.32 0.00 -0.71 0.00 0.00 33.22 31.51 2kl2 n MET 20 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2kl2 n LEU 21 N -1.37 4.09 -3.87 4.03 4.77 -0.62 -4.52 117.00 119.51 2kl2 n LEU 21 Ca 0.07 -2.13 -0.30 0.00 -0.03 0.00 0.00 56.01 53.62 2kl2 n LEU 21 Cb 0.18 -0.49 -0.15 0.00 -2.33 0.00 0.00 43.42 40.63 2kl2 n LEU 21 CO 0.16 0.92 -0.36 -0.62 -1.33 0.00 0.00 177.39 176.16 2kl2 s ASP 22 N -0.99 4.12 0.53 -1.43 -1.08 -0.98 -5.00 116.67 111.84 2kl2 s ASP 22 Ca 0.47 -1.61 0.35 0.00 -0.52 0.00 0.00 52.55 51.24 2kl2 s ASP 22 Cb 0.26 -1.14 1.62 0.00 -1.46 0.00 0.00 42.92 42.20 2kl2 s ASP 22 CO 0.29 -0.35 2.04 -0.74 0.52 0.00 0.00 175.17 176.93 2kl2 h HIS 23 N 7.93 0.00 0.00 -5.34 -0.00 -1.86 0.88 115.15 116.76 2kl2 h HIS 23 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.25 2kl2 h HIS 23 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.45 2kl2 h HIS 23 CO 0.42 0.00 0.00 0.77 -0.00 0.00 0.00 177.93 179.12 2kl2 h SER 24 N 0.00 0.00 0.57 3.26 0.02 -1.95 -1.73 113.55 113.73 2kl2 h SER 24 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kl2 h SER 24 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2kl2 h SER 24 CO 0.00 0.00 -1.18 1.41 -1.14 0.00 0.00 176.83 175.92 2kl2 n HIS 25 N -3.08 0.48 0.00 3.45 8.25 0.27 -5.06 115.22 119.53 2kl2 n HIS 25 Ca -0.01 0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2kl2 n HIS 25 Cb 0.22 -0.64 0.00 0.00 1.12 0.00 0.00 29.99 30.68 2kl2 n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kl2 n GLY 26 N 1.28 1.21 3.85 -1.41 0.00 -0.65 -3.12 105.19 106.35 2kl2 n GLY 26 Ca 0.00 -2.10 -0.34 0.00 0.00 0.00 0.00 46.02 43.59 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 4.23 0.08 0.99 2.96 -1.26 -4.12 118.68 121.56 2kl2 s LEU 27 Ca 0.00 1.15 0.01 0.00 -0.22 0.00 0.00 54.13 55.08 2kl2 s LEU 27 Cb 0.00 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 2kl2 s LEU 27 CO 0.00 -0.03 -0.06 0.00 -1.32 0.00 0.00 176.35 174.94 2kl2 s ALA 28 N -1.69 0.80 -0.06 5.97 0.00 -1.26 -2.48 121.76 123.04 2kl2 s ALA 28 Ca 0.45 -1.23 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 2kl2 s ALA 28 Cb -0.13 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.18 2kl2 s ALA 28 CO 0.20 -0.24 0.14 0.00 0.00 0.00 0.00 175.76 175.85 2kl2 s ALA 29 N -3.37 -0.31 -1.24 0.00 0.00 0.49 -4.94 121.76 112.39 2kl2 s ALA 29 Ca 0.07 0.48 -0.20 0.00 0.00 0.00 0.00 51.96 52.32 2kl2 s ALA 29 Cb 0.04 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.85 2kl2 s ALA 29 CO -0.05 -0.10 1.85 0.34 0.00 0.00 0.00 175.76 177.80 2kl2 n PHE 30 N 3.44 3.73 -2.46 0.00 7.35 -1.26 -1.33 117.46 126.93 2kl2 n PHE 30 Ca -0.17 -2.26 -0.41 0.00 -0.76 0.00 0.00 57.45 53.84 2kl2 n PHE 30 Cb 0.56 -2.59 0.01 0.00 0.35 0.00 0.00 39.48 37.81 2kl2 n PHE 30 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2kl2 n ARG 31 N 8.18 4.76 0.00 -4.13 5.12 -1.11 -4.71 116.66 124.77 2kl2 n ARG 31 Ca 0.48 -4.12 0.00 0.00 -1.93 0.00 0.00 57.85 52.28 2kl2 n ARG 31 Cb 0.46 -2.59 0.00 0.00 -1.16 0.00 0.00 32.46 29.17 2kl2 n ARG 31 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kl2 n GLY 32 N 1.14 0.97 3.61 -0.13 0.00 -1.24 -4.63 105.19 104.91 2kl2 n GLY 32 Ca 0.47 -2.08 -0.24 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.50 2.19 0.10 1.61 0.52 0.10 -1.60 118.95 120.37 2kl2 s ARG 33 Ca 0.00 -1.38 -0.25 0.00 -0.52 0.00 0.00 55.73 53.58 2kl2 s ARG 33 Cb 0.00 -2.14 0.09 0.00 0.52 0.00 0.00 34.95 33.41 2kl2 s ARG 33 CO 0.00 0.39 1.13 0.20 0.02 0.00 0.00 175.30 177.04 2kl2 s GLY 34 N -3.37 -0.04 0.01 -3.53 0.00 -1.15 -0.84 107.32 98.41 2kl2 s GLY 34 Ca 0.29 -0.09 -0.00 0.00 0.00 0.00 0.00 44.72 44.92 2kl2 s GLY 34 CO 0.18 2.99 -0.02 0.00 0.00 0.00 0.00 173.10 176.25 2kl2 s THR 36 N -0.90 3.44 0.24 0.00 -4.23 -0.50 -0.61 115.64 113.08 2kl2 s THR 36 Ca -0.10 0.03 -0.02 0.00 -1.18 0.00 0.00 61.69 60.43 2kl2 s THR 36 Cb -0.06 -4.10 0.06 0.00 1.34 0.00 0.00 72.50 69.74 2kl2 s THR 36 CO -0.01 -1.05 1.68 -0.37 -0.54 0.00 0.00 174.62 174.33 2kl2 h VAL 37 N 6.90 1.27 -1.71 2.29 -1.51 -1.89 -3.30 116.25 118.30 2kl2 h VAL 37 Ca -0.15 -1.27 -0.62 0.00 -1.23 0.00 0.00 66.70 63.43 2kl2 h VAL 37 Cb 1.10 1.22 -0.00 0.00 -2.13 0.00 0.00 31.29 31.48 2kl2 h VAL 37 CO 1.23 0.42 1.42 -0.62 -1.23 0.00 0.00 177.57 178.79 2kl2 n GLU 38 N -4.13 1.73 -1.71 5.19 4.71 -1.26 -4.81 120.64 120.37 2kl2 n GLU 38 Ca 0.00 0.50 -0.41 0.00 -0.01 0.00 0.00 57.16 57.25 2kl2 n GLU 38 Cb 0.41 -2.91 0.01 0.00 -1.01 0.00 0.00 31.44 27.94 2kl2 n GLU 38 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2kl2 n SER 39 N 10.39 2.70 -4.07 1.62 7.64 -1.26 -4.72 113.62 125.92 2kl2 n SER 39 Ca 0.32 1.10 -0.11 0.00 1.01 0.00 0.00 58.87 61.20 2kl2 n SER 39 Cb 0.36 -1.52 -0.11 0.00 -1.01 0.00 0.00 64.21 61.93 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 -1.20 0.60 -0.83 1.43 0.08 -0.23 -0.33 117.98 117.49 2kl2 s PHE 40 Ca 0.61 -0.68 -0.26 0.00 0.12 0.00 0.00 56.93 56.72 2kl2 s PHE 40 Cb -0.49 -0.38 0.04 0.00 -0.57 0.00 0.00 43.02 41.62 2kl2 s PHE 40 CO 0.57 -0.17 1.33 -1.25 -0.10 0.00 0.00 175.22 175.61 2kl2 s PRO 41 N -2.40 3.32 -0.36 0.24 0.04 -1.11 -2.63 135.00 132.10 2kl2 s PRO 41 Ca -0.04 -0.54 -0.19 0.00 0.04 0.00 0.00 61.00 60.26 2kl2 s PRO 41 Cb -0.04 -4.57 0.00 0.00 0.04 0.00 0.00 34.50 29.93 2kl2 s PRO 41 CO -0.03 -2.16 0.57 -1.17 0.04 0.00 0.00 177.00 174.25 2kl2 s LEU 42 N 5.45 4.33 0.09 -3.56 2.96 -1.26 -2.90 118.68 123.79 2kl2 s LEU 42 Ca 0.38 0.01 0.07 0.00 -0.22 0.00 0.00 54.13 54.38 2kl2 s LEU 42 Cb -0.06 -2.68 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 2kl2 s LEU 42 CO 0.07 -0.55 -0.19 0.68 -1.32 0.00 0.00 176.35 175.04 2kl2 s VAL 43 N 2.55 1.54 -0.25 1.68 -7.23 -1.04 -1.69 120.40 115.97 2kl2 s VAL 43 Ca 0.21 -1.43 -0.16 0.00 -1.81 0.00 0.00 61.98 58.79 2kl2 s VAL 43 Cb -0.15 -1.41 -0.03 0.00 0.56 0.00 0.00 36.38 35.35 2kl2 s VAL 43 CO 0.14 -0.07 0.43 -0.63 -0.31 0.00 0.00 175.10 174.66 2kl2 s ILE 44 N -1.14 5.15 0.34 -0.62 1.01 -1.26 -1.51 121.20 123.16 2kl2 s ILE 44 Ca 0.04 0.72 0.07 0.00 0.00 0.00 0.00 60.65 61.48 2kl2 s ILE 44 Cb -0.10 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 2kl2 s ILE 44 CO 0.03 0.16 0.27 0.00 0.00 0.00 0.00 174.94 175.41 2kl2 n ALA 45 N 5.14 0.71 -0.36 9.38 0.00 -1.17 -4.91 120.51 129.29 2kl2 n ALA 45 Ca -0.07 -1.96 0.02 0.00 0.00 0.00 0.00 53.44 51.43 2kl2 n ALA 45 Cb 0.50 1.56 -0.01 0.00 0.00 0.00 0.00 19.45 21.51 2kl2 n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl2 n GLY 46 N -0.65 -2.98 0.21 0.00 0.00 -1.26 -1.13 105.19 99.37 2kl2 n GLY 46 Ca 0.07 -1.26 0.15 0.00 0.00 0.00 0.00 46.02 44.98 2kl2 n GLY 46 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kl2 h GLU 47 N -0.11 0.00 -0.70 1.61 4.81 -2.01 -2.61 114.58 115.57 2kl2 h GLU 47 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2kl2 h GLU 47 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2kl2 h GLU 47 CO 0.01 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 179.01 2kl2 n HIS 48 N -2.60 0.94 -3.23 0.92 8.25 -1.26 -4.95 115.22 113.28 2kl2 n HIS 48 Ca 0.00 -0.48 -0.09 0.00 -0.26 0.00 0.00 57.72 56.89 2kl2 n HIS 48 Cb 0.20 -0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.33 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 1.63 -7.01 -4.09 0.41 3.02 -0.98 -1.66 115.26 106.57 2kl2 n ASN 49 Ca 0.24 -0.41 -0.36 0.00 -0.03 0.00 0.00 54.58 54.02 2kl2 n ASN 49 Cb 0.62 -4.81 -0.09 0.00 -0.61 0.00 0.00 39.78 34.89 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 -3.15 3.87 0.51 2.41 1.01 -0.28 -4.14 121.20 121.43 2kl2 s ILE 50 Ca 0.17 -3.29 -0.23 0.00 0.00 0.00 0.00 60.65 57.31 2kl2 s ILE 50 Cb -0.03 -3.49 -0.06 0.00 0.01 0.00 0.00 42.46 38.89 2kl2 s ILE 50 CO 0.77 -0.95 1.33 -2.16 0.00 0.00 0.00 174.94 173.93 2kl2 s PRO 51 N -0.51 3.40 0.25 2.79 0.04 -1.26 -3.02 135.00 136.69 2kl2 s PRO 51 Ca 0.20 2.17 0.09 0.00 0.04 0.00 0.00 61.00 63.51 2kl2 s PRO 51 Cb -0.16 -2.38 -0.05 0.00 0.04 0.00 0.00 34.50 31.95 2kl2 s PRO 51 CO -0.06 -0.97 -0.14 -1.58 0.04 0.00 0.00 177.00 174.29 2kl2 s TRP 52 N -1.33 1.99 -0.45 0.56 0.52 -0.57 -4.93 118.94 114.73 2kl2 s TRP 52 Ca 0.67 -0.51 0.01 0.00 0.02 0.00 0.00 56.10 56.29 2kl2 s TRP 52 Cb -0.39 -0.96 0.12 0.00 -1.15 0.00 0.00 33.47 31.10 2kl2 s TRP 52 CO 0.47 0.48 0.22 -1.17 0.02 0.00 0.00 176.95 176.96 2kl2 s LEU 53 N -3.42 4.91 0.31 2.99 2.96 -1.26 -2.50 118.68 122.66 2kl2 s LEU 53 Ca 0.27 -2.44 -0.30 0.00 -0.22 0.00 0.00 54.13 51.44 2kl2 s LEU 53 Cb -0.01 -1.73 -0.12 0.00 0.50 0.00 0.00 46.19 44.83 2kl2 s LEU 53 CO 0.11 -0.39 1.59 0.18 -1.32 0.00 0.00 176.35 176.51 2kl2 n LEU 54 N 3.96 4.44 -4.56 -0.68 7.99 -1.14 -1.57 117.00 125.44 2kl2 n LEU 54 Ca 0.03 1.16 -0.33 0.00 -0.01 0.00 0.00 56.01 56.86 2kl2 n LEU 54 Cb 0.39 -1.60 -0.04 0.00 -0.11 0.00 0.00 43.42 42.06 2kl2 n LEU 54 CO 0.30 0.17 1.43 -0.47 -1.51 0.00 0.00 177.39 177.31 2kl2 s TYR 55 N -0.14 1.85 -0.42 -1.77 5.04 -0.33 -4.27 117.35 117.30 2kl2 s TYR 55 Ca 0.63 0.52 0.06 0.00 -2.44 0.00 0.00 57.07 55.84 2kl2 s TYR 55 Cb -0.49 -4.15 0.22 0.00 0.35 0.00 0.00 41.96 37.89 2kl2 s TYR 55 CO 0.50 -1.97 0.53 -0.11 -1.34 0.00 0.00 175.55 173.16 2kl2 n LEU 56 N 12.86 -0.86 -4.66 6.97 -0.00 -1.26 -4.98 117.00 125.07 2kl2 n LEU 56 Ca 0.31 -4.21 -0.42 0.00 -0.00 0.00 0.00 56.01 51.69 2kl2 n LEU 56 Cb 0.49 0.65 -0.03 0.00 -0.00 0.00 0.00 43.42 44.53 2kl2 n LEU 56 CO 0.65 1.98 1.59 -0.81 -0.00 0.00 0.00 177.39 180.80 2kl2 n PRO 57 N 2.08 2.87 0.00 1.96 -0.04 -1.26 -2.16 135.00 138.45 2kl2 n PRO 57 Ca 0.22 1.05 0.00 0.00 -0.04 0.00 0.00 63.50 64.73 2kl2 n PRO 57 Cb 0.53 -3.00 0.00 0.00 -0.04 0.00 0.00 33.50 30.99 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 4.52 0.58 3.68 0.55 0.00 0.55 -4.92 105.19 110.15 2kl2 n GLY 58 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 2kl2 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kl2 s LYS 59 N -0.75 2.37 4.54 1.61 3.01 -0.92 -4.79 119.74 124.81 2kl2 s LYS 59 Ca 0.00 -1.40 0.00 0.00 -1.01 0.00 0.00 55.97 53.56 2kl2 s LYS 59 Cb 0.00 -2.20 0.00 0.00 -1.01 0.00 0.00 37.83 34.62 2kl2 s LYS 59 CO 0.00 0.32 0.00 0.41 0.51 0.00 0.00 175.35 176.59 2kl2 n GLY 60 N -0.97 1.21 3.30 -3.33 0.00 -1.26 -1.07 105.19 103.07 2kl2 n GLY 60 Ca -0.06 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 45.05 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 1.61 -0.44 1.61 3.76 -1.08 -4.69 115.29 116.06 2kl2 s HIS 61 Ca 0.00 -1.59 -0.29 0.00 -0.15 0.00 0.00 55.06 53.03 2kl2 s HIS 61 Cb 0.00 -0.63 0.02 0.00 1.11 0.00 0.00 32.58 33.08 2kl2 s HIS 61 CO 0.00 -0.88 1.34 0.00 -0.85 0.00 0.00 174.74 174.35 2kl2 s VAL 63 N 5.22 3.88 0.76 0.00 1.01 -1.24 -4.70 120.40 125.32 2kl2 s VAL 63 Ca 0.57 0.86 -0.11 0.00 0.00 0.00 0.00 61.98 63.31 2kl2 s VAL 63 Cb -0.12 -4.25 0.05 0.00 0.00 0.00 0.00 36.38 32.05 2kl2 s VAL 63 CO 0.32 -0.85 1.08 0.42 0.00 0.00 0.00 175.10 176.07 2kl2 s THR 64 N 5.61 3.52 -1.39 3.92 -4.23 -1.18 -1.41 115.64 120.48 2kl2 s THR 64 Ca 0.59 0.49 0.00 0.00 -1.18 0.00 0.00 61.69 61.60 2kl2 s THR 64 Cb -0.13 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.62 2kl2 s THR 64 CO 0.31 -0.64 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 2kl2 n GLY 65 N -1.57 -0.59 3.15 3.99 0.00 -0.79 -4.85 105.19 104.53 2kl2 n GLY 65 Ca 0.08 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.55 0.77 -0.19 1.61 2.02 -1.26 -2.93 118.70 118.16 2kl2 s GLU 66 Ca 0.00 -1.16 -0.07 0.00 0.02 0.00 0.00 54.97 53.76 2kl2 s GLU 66 Cb 0.00 -0.32 -0.04 0.00 0.10 0.00 0.00 34.13 33.87 2kl2 s GLU 66 CO 0.00 0.03 0.07 0.42 0.02 0.00 0.00 175.26 175.79 2kl2 s ILE 67 N -2.79 4.73 -0.11 -1.63 1.01 -0.63 -2.56 121.20 119.22 2kl2 s ILE 67 Ca 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.68 2kl2 s ILE 67 Cb -0.00 -3.14 0.01 0.00 0.01 0.00 0.00 42.46 39.33 2kl2 s ILE 67 CO -0.02 0.44 -0.19 -0.31 0.00 0.00 0.00 174.94 174.86 2kl2 s TYR 68 N 0.59 2.24 0.59 3.97 1.51 -0.63 -2.75 117.35 122.87 2kl2 s TYR 68 Ca 0.03 -1.03 -0.18 0.00 -1.01 0.00 0.00 57.07 54.88 2kl2 s TYR 68 Cb -0.13 -1.56 -0.04 0.00 -0.11 0.00 0.00 41.96 40.13 2kl2 s TYR 68 CO 0.01 -0.48 1.16 -2.00 -1.11 0.00 0.00 175.55 173.13 2kl2 s GLU 69 N 0.76 3.07 0.12 -0.62 2.56 -0.44 -0.79 118.70 123.35 2kl2 s GLU 69 Ca -0.10 1.65 -0.06 0.00 0.00 0.00 0.00 54.97 56.45 2kl2 s GLU 69 Cb -0.16 -1.96 -0.02 0.00 2.00 0.00 0.00 34.13 33.99 2kl2 s GLU 69 CO 0.01 -1.09 0.17 0.14 -0.56 0.00 0.00 175.26 173.93 2kl2 s VAL 70 N -1.82 0.12 0.44 3.70 -7.23 -1.26 -0.38 120.40 113.97 2kl2 s VAL 70 Ca 0.73 -1.48 0.08 0.00 -1.81 0.00 0.00 61.98 59.50 2kl2 s VAL 70 Cb -0.26 -1.67 -0.00 0.00 0.56 0.00 0.00 36.38 35.01 2kl2 s VAL 70 CO 0.32 -0.54 0.44 -1.81 -0.31 0.00 0.00 175.10 173.20 2kl2 s ASP 71 N -2.94 5.12 0.46 4.85 1.11 -1.03 -4.16 116.67 120.07 2kl2 s ASP 71 Ca 0.13 -0.74 0.14 0.00 0.18 0.00 0.00 52.55 52.26 2kl2 s ASP 71 Cb 0.05 -0.44 1.09 0.00 1.07 0.00 0.00 42.92 44.69 2kl2 s ASP 71 CO -0.05 -0.76 2.06 -0.33 1.18 0.00 0.00 175.17 177.27 2kl2 h GLU 72 N 0.88 0.28 -0.32 8.23 5.08 -1.99 -0.47 114.58 126.27 2kl2 h GLU 72 Ca -0.40 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 57.79 2kl2 h GLU 72 Cb 1.27 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2kl2 h GLU 72 CO 0.54 0.18 -0.42 0.37 -1.00 0.00 0.00 179.01 178.69 2kl2 h GLN 73 N 0.29 0.80 -0.19 2.33 5.75 -1.94 -0.89 115.11 121.26 2kl2 h GLN 73 Ca 0.16 -0.43 -0.03 0.00 -0.15 0.00 0.00 58.65 58.20 2kl2 h GLN 73 Cb 0.26 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 2kl2 h GLN 73 CO -0.03 1.06 0.02 1.98 -2.65 0.00 0.00 178.83 179.21 2kl2 h MET 74 N 0.65 0.33 -0.14 1.69 4.05 -1.04 0.16 114.93 120.62 2kl2 h MET 74 Ca 0.05 -0.10 -0.05 0.00 -0.28 0.00 0.00 59.70 59.33 2kl2 h MET 74 Cb 0.98 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.74 2kl2 h MET 74 CO 0.09 0.51 -0.12 1.25 0.23 0.00 0.00 176.91 178.87 2kl2 h LEU 75 N 0.10 0.20 -0.24 3.39 6.46 -1.39 -0.72 115.31 123.12 2kl2 h LEU 75 Ca 0.06 -0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.71 2kl2 h LEU 75 Cb 0.35 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 2kl2 h LEU 75 CO 0.01 0.35 -0.12 0.03 -0.62 0.00 0.00 178.44 178.09 2kl2 h ARG 76 N 0.20 0.50 0.04 1.25 3.08 -0.88 -3.16 114.38 115.40 2kl2 h ARG 76 Ca 0.04 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 2kl2 h ARG 76 Cb 0.35 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2kl2 h ARG 76 CO 0.02 0.77 -0.02 0.35 -1.07 0.00 0.00 179.97 180.02 2kl2 h PHE 77 N 0.22 -0.05 -0.55 3.04 3.57 -0.09 -2.71 116.94 120.37 2kl2 h PHE 77 Ca 0.05 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 2kl2 h PHE 77 Cb 0.62 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 2kl2 h PHE 77 CO 0.06 -0.01 0.24 -0.07 -2.23 0.00 0.00 178.31 176.31 2kl2 h LEU 78 N -0.07 0.71 -0.15 0.59 3.38 -1.27 0.11 115.31 118.62 2kl2 h LEU 78 Ca -0.00 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.94 2kl2 h LEU 78 Cb 0.06 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 2kl2 h LEU 78 CO 0.01 0.63 -0.31 -0.78 0.09 0.00 0.00 178.44 178.08 2kl2 h ASP 79 N 0.78 -0.95 -0.39 -0.43 3.58 -1.48 -3.00 116.42 114.53 2kl2 h ASP 79 Ca 0.19 0.14 -0.13 0.00 0.42 0.00 0.00 57.03 57.66 2kl2 h ASP 79 Cb 0.12 0.41 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 2kl2 h ASP 79 CO -0.02 -0.34 -0.25 -0.78 -2.88 0.00 0.00 179.24 174.96 2kl2 h ASP 80 N -0.37 0.90 0.35 2.28 1.82 -1.01 -2.27 116.42 118.11 2kl2 h ASP 80 Ca 0.10 -0.43 -0.02 0.00 -0.39 0.00 0.00 57.03 56.30 2kl2 h ASP 80 Cb 0.53 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.29 2kl2 h ASP 80 CO -0.36 1.13 -0.17 0.15 -1.61 0.00 0.00 179.24 178.39 2kl2 h PHE 81 N 0.67 -0.43 0.00 0.28 3.57 -0.68 -1.88 116.94 118.46 2kl2 h PHE 81 Ca 0.08 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2kl2 h PHE 81 Cb 0.82 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.71 2kl2 h PHE 81 CO 0.06 -0.24 0.00 0.39 -2.23 0.00 0.00 178.31 176.29 2kl2 n GLU 82 N -5.27 0.35 -1.65 1.11 -0.58 -1.14 -4.88 120.64 108.57 2kl2 n GLU 82 Ca -0.10 0.07 -0.05 0.00 -0.42 0.00 0.00 57.16 56.65 2kl2 n GLU 82 Cb 0.22 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.57 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 -1.26 -2.89 -4.66 1.62 2.03 -0.71 -4.52 116.55 106.15 2kl2 n ASP 83 Ca 0.11 0.06 -0.31 0.00 0.52 0.00 0.00 54.79 55.17 2kl2 n ASP 83 Cb 0.17 -1.60 0.17 0.00 -0.72 0.00 0.00 41.12 39.14 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 -4.22 0.38 0.48 0.00 -0.04 -1.26 -4.54 135.00 125.80 2kl2 n PRO 85 Ca 0.10 0.07 -0.20 0.00 -0.04 0.00 0.00 63.50 63.43 2kl2 n PRO 85 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 2kl2 n PRO 85 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kl2 h SER 86 N 0.00 -1.16 0.00 3.54 0.87 -1.57 -3.40 113.55 111.84 2kl2 h SER 86 Ca 0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2kl2 h SER 86 Cb 0.12 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2kl2 h SER 86 CO 0.00 -0.77 0.00 0.23 -0.53 0.00 0.00 176.83 175.76 2kl2 n MET 87 N -5.64 0.00 -1.91 2.24 2.81 0.25 -5.01 117.12 109.86 2kl2 n MET 87 Ca -0.16 0.13 -0.19 0.00 -1.81 0.00 0.00 57.70 55.68 2kl2 n MET 87 Cb 0.51 -0.58 0.11 0.00 -0.71 0.00 0.00 33.22 32.54 2kl2 n MET 87 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2kl2 n TYR 88 N -1.09 -3.31 -4.30 2.03 4.01 -1.26 -4.90 117.16 108.34 2kl2 n TYR 88 Ca 0.00 -1.21 -0.19 0.00 -0.16 0.00 0.00 57.90 56.34 2kl2 n TYR 88 Cb 0.00 -0.62 -0.09 0.00 -0.31 0.00 0.00 39.34 38.33 2kl2 n TYR 88 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2kl2 s GLN 89 N -4.67 1.65 -0.14 -0.72 1.11 0.63 -4.05 119.66 113.47 2kl2 s GLN 89 Ca 0.52 -1.95 0.01 0.00 0.01 0.00 0.00 55.36 53.96 2kl2 s GLN 89 Cb -0.02 0.14 0.00 0.00 -1.01 0.00 0.00 33.01 32.12 2kl2 s GLN 89 CO 0.35 -0.55 -0.19 0.50 0.01 0.00 0.00 175.29 175.42 2kl2 s ARG 90 N -3.67 3.13 0.11 2.91 3.00 -1.26 -0.47 118.95 122.70 2kl2 s ARG 90 Ca 0.38 -0.80 0.08 0.00 -1.00 0.00 0.00 55.73 54.38 2kl2 s ARG 90 Cb 0.04 -2.52 -0.04 0.00 0.00 0.00 0.00 34.95 32.43 2kl2 s ARG 90 CO 0.22 0.03 -0.19 0.99 0.00 0.00 0.00 175.30 176.35 2kl2 s THR 91 N 0.74 1.62 0.14 4.11 2.01 -0.53 -4.96 115.64 118.76 2kl2 s THR 91 Ca -0.08 -1.57 -0.27 0.00 0.31 0.00 0.00 61.69 60.09 2kl2 s THR 91 Cb -0.16 -1.52 -0.07 0.00 0.01 0.00 0.00 72.50 70.76 2kl2 s THR 91 CO 0.01 -0.13 0.82 0.00 -0.69 0.00 0.00 174.62 174.63 2kl2 s ALA 92 N -1.34 3.38 0.00 7.40 0.00 -1.26 -1.66 121.76 128.28 2kl2 s ALA 92 Ca 0.07 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.43 2kl2 s ALA 92 Cb -0.09 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.98 2kl2 s ALA 92 CO 0.04 0.17 0.00 1.47 0.00 0.00 0.00 175.76 177.45 2kl2 n LEU 93 N 2.08 0.00 -4.32 0.00 -0.00 -0.70 -4.99 117.00 109.06 2kl2 n LEU 93 Ca -0.03 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.67 2kl2 n LEU 93 Cb 0.49 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.75 2kl2 n LEU 93 CO 0.48 0.00 -0.56 -1.58 -0.00 0.00 0.00 177.39 175.73 2kl2 s GLN 94 N -0.39 2.17 0.08 1.47 2.00 -1.26 -3.24 119.66 120.49 2kl2 s GLN 94 Ca 0.00 -0.91 0.07 0.00 -2.00 0.00 0.00 55.36 52.52 2kl2 s GLN 94 Cb 0.00 -2.08 -0.03 0.00 0.80 0.00 0.00 33.01 31.70 2kl2 s GLN 94 CO 0.00 0.56 -0.18 0.08 -0.50 0.00 0.00 175.29 175.25 2kl2 s VAL 95 N -0.60 1.45 0.06 1.34 1.01 -0.66 -3.83 120.40 119.16 2kl2 s VAL 95 Ca 0.09 -1.40 -0.22 0.00 0.00 0.00 0.00 61.98 60.46 2kl2 s VAL 95 Cb -0.10 -1.33 -0.06 0.00 0.00 0.00 0.00 36.38 34.88 2kl2 s VAL 95 CO -0.01 -0.10 0.65 -1.58 0.00 0.00 0.00 175.10 174.06 2kl2 s GLN 96 N -1.75 4.36 -0.82 2.72 0.74 0.22 -0.70 119.66 124.43 2kl2 s GLN 96 Ca 0.03 0.87 -0.17 0.00 0.05 0.00 0.00 55.36 56.14 2kl2 s GLN 96 Cb -0.10 -3.30 0.16 0.00 1.10 0.00 0.00 33.01 30.87 2kl2 s GLN 96 CO 0.03 0.47 0.90 0.54 -0.55 0.00 0.00 175.29 176.67 2kl2 s VAL 97 N -0.60 5.09 0.14 1.34 0.11 -0.42 -2.67 120.40 123.40 2kl2 s VAL 97 Ca 0.33 -1.80 -0.16 0.00 -2.93 0.00 0.00 61.98 57.41 2kl2 s VAL 97 Cb -0.20 -4.60 0.00 0.00 -1.53 0.00 0.00 36.38 30.06 2kl2 s VAL 97 CO 0.20 -1.24 1.74 -0.07 -3.33 0.00 0.00 175.10 172.41 2kl2 h LEU 98 N 9.29 0.51 -7.69 2.54 4.07 -1.29 -3.44 115.31 119.30 2kl2 h LEU 98 Ca 0.04 -0.09 -0.21 0.00 0.08 0.00 0.00 57.88 57.70 2kl2 h LEU 98 Cb 1.04 -0.13 -0.27 0.00 1.08 0.00 0.00 40.66 42.39 2kl2 h LEU 98 CO 0.97 0.45 -0.65 -1.61 -1.08 0.00 0.00 178.44 176.52 2kl2 s GLU 99 N -5.84 0.09 -0.06 1.13 2.02 -0.97 -4.95 118.70 110.12 2kl2 s GLU 99 Ca -0.13 0.03 0.00 0.00 0.02 0.00 0.00 54.97 54.89 2kl2 s GLU 99 Cb 0.10 0.04 -0.03 0.00 0.10 0.00 0.00 34.13 34.34 2kl2 s GLU 99 CO 0.74 -0.01 -0.03 -0.46 0.02 0.00 0.00 175.26 175.51 2kl2 s TRP 100 N -0.09 3.04 -0.33 1.61 -0.11 -1.26 -0.73 118.94 121.07 2kl2 s TRP 100 Ca -0.01 0.09 0.04 0.00 1.22 0.00 0.00 56.10 57.44 2kl2 s TRP 100 Cb -0.01 -1.72 0.09 0.00 -1.50 0.00 0.00 33.47 30.33 2kl2 s TRP 100 CO 0.00 0.41 0.03 -1.21 -4.62 0.00 0.00 176.95 171.56 2kl2 s GLU 101 N -1.03 1.59 0.00 5.86 2.02 -1.26 -4.90 118.70 120.98 2kl2 s GLU 101 Ca 0.14 -1.81 0.00 0.00 0.02 0.00 0.00 54.97 53.33 2kl2 s GLU 101 Cb -0.11 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 30.95 2kl2 s GLU 101 CO 0.04 -0.89 0.00 0.41 0.02 0.00 0.00 175.26 174.84 2kl2 n GLY 102 N 4.28 1.53 3.68 -1.39 0.00 -1.26 -4.61 105.19 107.41 2kl2 n GLY 102 Ca 0.01 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 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 0.00 3.14 -0.22 1.61 -1.08 -1.26 -4.59 116.67 114.27 2kl2 s ASP 103 Ca 0.00 1.87 -0.03 0.00 -0.52 0.00 0.00 52.55 53.87 2kl2 s ASP 103 Cb 0.00 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 2kl2 s ASP 103 CO 0.00 -2.91 0.24 0.61 0.52 0.00 0.00 175.17 173.64 2kl2 n GLY 104 N -0.32 -0.80 3.29 2.66 0.00 -1.26 -5.00 105.19 103.76 2kl2 n GLY 104 Ca 0.09 0.24 -0.45 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.98 6.47 0.54 1.61 2.15 -1.26 -4.96 116.67 119.23 2kl2 s ASP 105 Ca 0.05 -2.69 0.28 0.00 0.43 0.00 0.00 52.55 50.62 2kl2 s ASP 105 Cb -0.01 -2.14 1.44 0.00 -0.30 0.00 0.00 42.92 41.90 2kl2 s ASP 105 CO 0.29 -0.55 1.95 1.55 -0.17 0.00 0.00 175.17 178.24 2kl2 h PRO 106 N 7.68 0.00 0.00 4.34 0.13 -1.94 -3.49 132.00 138.72 2kl2 h PRO 106 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2kl2 h PRO 106 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2kl2 h PRO 106 CO 0.76 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.94 2kl2 n GLY 107 N -1.66 0.34 0.00 1.56 0.00 -1.26 -4.90 105.19 99.27 2kl2 n GLY 107 Ca 0.13 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2kl2 n GLY 107 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kl2 n ASP 108 N 0.00 0.00 -4.23 1.61 8.00 -1.26 -4.86 116.55 115.82 2kl2 n ASP 108 Ca 0.00 -1.00 -0.14 0.00 0.71 0.00 0.00 54.79 54.36 2kl2 n ASP 108 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 2kl2 n ASP 108 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2kl2 s SER 109 N 0.00 1.69 0.18 -2.24 1.04 -1.26 -1.30 113.70 111.82 2kl2 s SER 109 Ca 0.00 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.49 2kl2 s SER 109 Cb 0.00 -0.01 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 2kl2 s SER 109 CO 0.00 -0.30 0.07 0.68 0.98 0.00 0.00 173.24 174.67 2kl2 s VAL 110 N -2.98 0.30 -0.29 5.02 -7.23 0.12 -4.85 120.40 110.49 2kl2 s VAL 110 Ca 0.13 -1.97 -0.15 0.00 -1.81 0.00 0.00 61.98 58.18 2kl2 s VAL 110 Cb 0.00 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 2kl2 s VAL 110 CO 0.00 -0.26 0.39 -1.58 -0.31 0.00 0.00 175.10 173.35 2kl2 s GLN 111 N -4.04 3.93 0.38 4.82 0.74 -1.26 -1.66 119.66 122.56 2kl2 s GLN 111 Ca 0.31 -0.02 0.08 0.00 0.05 0.00 0.00 55.36 55.77 2kl2 s GLN 111 Cb 0.07 -3.69 -0.03 0.00 1.10 0.00 0.00 33.01 30.46 2kl2 s GLN 111 CO 0.07 -0.34 0.26 0.00 -0.55 0.00 0.00 175.29 174.73 2kl2 s PHE 113 N -2.45 3.66 0.05 0.00 0.08 -1.18 -1.72 117.98 116.42 2kl2 s PHE 113 Ca 0.42 0.82 0.02 0.00 0.12 0.00 0.00 56.93 58.32 2kl2 s PHE 113 Cb -0.02 -2.17 -0.03 0.00 -0.57 0.00 0.00 43.02 40.24 2kl2 s PHE 113 CO 0.25 0.63 -0.08 0.08 -0.10 0.00 0.00 175.22 176.00 2kl2 s VAL 114 N -1.16 0.60 0.08 -0.44 1.01 -0.66 -1.15 120.40 118.68 2kl2 s VAL 114 Ca 0.25 -1.22 -0.29 0.00 0.00 0.00 0.00 61.98 60.72 2kl2 s VAL 114 Cb -0.15 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 2kl2 s VAL 114 CO 0.13 -0.44 0.91 -0.31 0.00 0.00 0.00 175.10 175.39 2kl2 s TYR 115 N -1.69 3.78 0.26 5.22 2.02 -1.26 -1.46 117.35 124.22 2kl2 s TYR 115 Ca -0.06 1.71 0.06 0.00 -0.37 0.00 0.00 57.07 58.41 2kl2 s TYR 115 Cb -0.08 -3.00 -0.02 0.00 -0.40 0.00 0.00 41.96 38.46 2kl2 s TYR 115 CO -0.00 0.20 0.23 0.25 -1.57 0.00 0.00 175.55 174.66 2kl2 n THR 116 N 2.89 0.00 -3.88 -0.71 -2.24 0.38 -4.59 114.28 106.14 2kl2 n THR 116 Ca 0.01 -1.90 -0.12 0.00 -2.27 0.00 0.00 64.05 59.78 2kl2 n THR 116 Cb 0.50 0.96 -0.13 0.00 -2.10 0.00 0.00 70.33 69.55 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 -3.06 0.01 -1.54 4.28 -1.32 -0.61 -0.27 115.64 113.14 2kl2 s THR 117 Ca 0.31 -0.12 0.18 0.00 -1.21 0.00 0.00 61.69 60.85 2kl2 s THR 117 Cb 0.01 -0.08 -0.04 0.00 -1.51 0.00 0.00 72.50 70.89 2kl2 s THR 117 CO 0.22 -0.07 0.91 0.00 -2.21 0.00 0.00 174.62 173.47 2kl2 n ALA 118 N 2.86 3.48 -0.81 11.08 0.00 -1.26 -1.18 120.51 134.68 2kl2 n ALA 118 Ca -0.14 -0.56 0.08 0.00 0.00 0.00 0.00 53.44 52.82 2kl2 n ALA 118 Cb 0.59 -0.65 0.28 0.00 0.00 0.00 0.00 19.45 19.68 2kl2 n ALA 118 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2kl2 n THR 119 N -0.30 2.12 -1.74 0.00 -2.24 -1.26 -5.01 114.28 105.84 2kl2 n THR 119 Ca 0.07 -1.58 -0.31 0.00 -2.27 0.00 0.00 64.05 59.97 2kl2 n THR 119 Cb 0.37 -0.09 0.04 0.00 -2.10 0.00 0.00 70.33 68.55 2kl2 n THR 119 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2kl2 s TYR 120 N -2.41 3.27 0.56 4.78 1.13 -1.26 -5.08 117.35 118.33 2kl2 s TYR 120 Ca 0.43 1.23 -0.12 0.00 -1.41 0.00 0.00 57.07 57.20 2kl2 s TYR 120 Cb 0.32 -2.93 -0.05 0.00 -1.10 0.00 0.00 41.96 38.20 2kl2 s TYR 120 CO 0.13 -1.16 0.97 0.00 -2.51 0.00 0.00 175.55 172.98 2kl2 s ALA 121 N -3.19 3.15 0.30 9.51 0.00 -1.26 -5.02 121.76 125.25 2kl2 s ALA 121 Ca 0.58 -0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.50 2kl2 s ALA 121 Cb -0.12 -3.00 0.46 0.00 0.00 0.00 0.00 23.12 20.46 2kl2 s ALA 121 CO 0.54 -0.48 1.72 -1.00 0.00 0.00 0.00 175.76 176.54 2kl2 h PRO 122 N 0.19 0.33 -0.31 0.00 0.13 -2.03 -2.78 132.00 127.52 2kl2 h PRO 122 Ca -0.45 -0.14 0.05 0.00 -0.87 0.00 0.00 66.00 64.59 2kl2 h PRO 122 Cb 1.19 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2kl2 h PRO 122 CO 0.62 0.63 0.21 1.05 -0.23 0.00 0.00 178.00 180.28 2kl2 h GLU 123 N 0.28 0.21 0.00 0.86 9.09 -2.01 -2.07 114.58 120.94 2kl2 h GLU 123 Ca 0.04 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.43 2kl2 h GLU 123 Cb 0.73 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 27.78 2kl2 h GLU 123 CO 0.06 0.14 0.00 0.91 0.05 0.00 0.00 179.01 180.17 2kl2 n TRP 124 N -4.48 0.82 0.37 2.06 7.02 -1.05 -0.96 117.44 121.21 2kl2 n TRP 124 Ca 0.03 0.33 0.13 0.00 -1.02 0.00 0.00 57.50 56.97 2kl2 n TRP 124 Cb 0.23 -1.03 0.32 0.00 -2.42 0.00 0.00 31.31 28.41 2kl2 n TRP 124 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2kl2 h LEU 125 N 0.00 0.00 0.00 -0.99 -0.00 -1.53 -3.32 115.31 109.47 2kl2 h LEU 125 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.79 2kl2 h LEU 125 Cb 0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.99 2kl2 h LEU 125 CO 0.00 0.00 -1.70 0.49 -0.00 0.00 0.00 178.44 177.23 2kl2 n PHE 126 N -2.77 0.44 -1.17 1.13 3.72 -0.14 -4.96 117.46 113.71 2kl2 n PHE 126 Ca 0.04 0.14 -0.34 0.00 -0.05 0.00 0.00 57.45 57.23 2kl2 n PHE 126 Cb 0.46 -0.81 0.11 0.00 -0.94 0.00 0.00 39.48 38.29 2kl2 n PHE 126 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2kl2 n LEU 127 N -2.56 3.18 -4.77 4.37 4.77 -1.16 -4.95 117.00 115.87 2kl2 n LEU 127 Ca -0.09 0.58 -0.38 0.00 -0.03 0.00 0.00 56.01 56.09 2kl2 n LEU 127 Cb 0.71 -1.41 -0.01 0.00 -2.33 0.00 0.00 43.42 40.39 2kl2 n LEU 127 CO 0.43 -2.19 0.89 -2.16 -1.33 0.00 0.00 177.39 173.04 2kl2 s PRO 128 N -3.65 3.85 0.67 3.23 0.04 -1.26 -5.02 135.00 132.86 2kl2 s PRO 128 Ca 0.71 1.97 -0.10 0.00 0.04 0.00 0.00 61.00 63.62 2kl2 s PRO 128 Cb -0.31 -2.59 0.01 0.00 0.04 0.00 0.00 34.50 31.65 2kl2 s PRO 128 CO 0.53 -0.53 1.03 0.71 0.04 0.00 0.00 177.00 178.79 2kl2 s TYR 129 N -1.38 3.30 -0.00 0.56 2.02 -1.26 -4.56 117.35 116.02 2kl2 s TYR 129 Ca 0.60 0.91 0.00 0.00 -0.37 0.00 0.00 57.07 58.21 2kl2 s TYR 129 Cb -0.34 -2.96 0.00 0.00 -0.40 0.00 0.00 41.96 38.27 2kl2 s TYR 129 CO 0.42 -1.06 -0.00 -1.01 -1.57 0.00 0.00 175.55 172.33 2kl2 s HIS 130 N -3.23 0.06 -0.38 2.71 3.76 -0.68 -5.00 115.29 112.53 2kl2 s HIS 130 Ca 0.57 -0.00 0.23 0.00 -0.15 0.00 0.00 55.06 55.70 2kl2 s HIS 130 Cb -0.11 -0.06 0.25 0.00 1.11 0.00 0.00 32.58 33.77 2kl2 s HIS 130 CO 0.49 -0.01 1.46 0.93 -0.85 0.00 0.00 174.74 176.77 2kl2 h GLU 131 N 6.23 0.00 -1.91 1.40 5.08 -1.90 -3.40 114.58 120.09 2kl2 h GLU 131 Ca -0.26 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.22 2kl2 h GLU 131 Cb 1.20 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.27 2kl2 h GLU 131 CO 0.51 0.02 0.56 -1.54 -1.00 0.00 0.00 179.01 177.56 2kl2 s SER 132 N -6.01 -0.33 -0.15 1.42 1.04 -1.26 -3.12 113.70 105.29 2kl2 s SER 132 Ca 0.05 0.14 -0.01 0.00 0.48 0.00 0.00 55.95 56.61 2kl2 s SER 132 Cb 0.06 0.32 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 2kl2 s SER 132 CO 0.70 -0.46 -0.12 -0.47 0.98 0.00 0.00 173.24 173.86 2kl2 s TYR 133 N -2.32 2.83 -0.02 5.02 5.04 -1.26 -5.09 117.35 121.54 2kl2 s TYR 133 Ca 0.03 -0.76 -0.00 0.00 -2.44 0.00 0.00 57.07 53.90 2kl2 s TYR 133 Cb -0.01 -1.89 0.03 0.00 0.35 0.00 0.00 41.96 40.44 2kl2 s TYR 133 CO -0.05 -0.31 0.03 0.16 -1.34 0.00 0.00 175.55 174.05 2kl2 s ASP 134 N 0.58 0.05 0.01 4.32 1.47 -1.26 -4.82 116.67 117.02 2kl2 s ASP 134 Ca -0.08 0.05 0.15 0.00 1.18 0.00 0.00 52.55 53.85 2kl2 s ASP 134 Cb -0.16 -0.05 0.63 0.00 -0.34 0.00 0.00 42.92 43.01 2kl2 s ASP 134 CO 0.03 -0.11 1.47 -0.24 0.68 0.00 0.00 175.17 177.00 2kl2 n SER 135 N 4.04 0.03 -3.17 2.11 2.88 -1.26 -2.59 113.62 115.66 2kl2 n SER 135 Ca -0.26 0.51 -0.23 0.00 -1.33 0.00 0.00 58.87 57.56 2kl2 n SER 135 Cb 0.51 -0.52 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2kl2 n SER 135 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kl2 n GLU 136 N -1.54 1.79 -4.55 -1.46 4.71 -1.26 -4.93 120.64 113.40 2kl2 n GLU 136 Ca 0.03 -3.97 -0.26 0.00 -0.01 0.00 0.00 57.16 52.96 2kl2 n GLU 136 Cb 0.17 -1.83 -0.10 0.00 -1.01 0.00 0.00 31.44 28.67 2kl2 n GLU 136 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2kl2 s GLY 137 N -2.42 2.39 0.60 0.62 0.00 -1.07 -5.05 107.32 102.39 2kl2 s GLY 137 Ca 0.41 -1.92 0.35 0.00 0.00 0.00 0.00 44.72 43.56 2kl2 s GLY 137 CO -0.09 -1.97 2.23 -0.56 0.00 0.00 0.00 173.10 172.72 2kl2 h PRO 138 N 1.88 0.00 -5.96 2.90 0.13 -1.99 -3.35 132.00 125.61 2kl2 h PRO 138 Ca -0.42 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.08 2kl2 h PRO 138 Cb 1.25 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.29 2kl2 h PRO 138 CO 0.73 0.03 1.87 -3.38 -0.23 0.00 0.00 178.00 177.02 2kl2 s HIS 139 N -4.29 2.65 0.52 1.56 -3.43 -1.26 -4.86 115.29 106.17 2kl2 s HIS 139 Ca -0.04 -1.23 0.38 0.00 -0.80 0.00 0.00 55.06 53.37 2kl2 s HIS 139 Cb 0.13 -4.71 1.55 0.00 -1.43 0.00 0.00 32.58 28.12 2kl2 s HIS 139 CO 0.51 -1.85 1.70 0.78 -2.00 0.00 0.00 174.74 173.88 2kl2 h GLY 140 N 12.82 0.32 -7.34 -1.38 0.00 -1.99 -3.20 103.07 102.30 2kl2 h GLY 140 Ca 0.34 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.60 2kl2 h GLY 140 CO 1.44 -0.08 0.08 0.48 0.00 0.00 0.00 176.54 178.46 2kl2 s LEU 141 N -8.51 2.88 0.52 3.11 2.34 -1.26 -4.98 118.68 112.78 2kl2 s LEU 141 Ca -0.06 0.05 0.08 0.00 0.06 0.00 0.00 54.13 54.26 2kl2 s LEU 141 Cb 0.25 -2.55 0.05 0.00 -0.56 0.00 0.00 46.19 43.39 2kl2 s LEU 141 CO 0.84 -3.83 0.63 -0.13 -1.06 0.00 0.00 176.35 172.79 2kl2 s ARG 142 N 8.83 2.42 -0.06 1.48 1.81 -1.21 -5.02 118.95 127.19 2kl2 s ARG 142 Ca 0.92 -1.62 -0.29 0.00 -1.72 0.00 0.00 55.73 53.02 2kl2 s ARG 142 Cb -0.13 -2.54 -0.07 0.00 -0.45 0.00 0.00 34.95 31.76 2kl2 s ARG 142 CO 0.08 -0.63 2.07 -0.47 -0.68 0.00 0.00 175.30 175.67 2kl2 s TYR 143 N -2.60 1.22 -0.61 -0.53 5.04 -1.26 -4.70 117.35 113.91 2kl2 s TYR 143 Ca 0.54 -0.07 0.06 0.00 -2.44 0.00 0.00 57.07 55.16 2kl2 s TYR 143 Cb -0.06 -4.12 0.27 0.00 0.35 0.00 0.00 41.96 38.40 2kl2 s TYR 143 CO 0.33 -5.01 0.78 0.09 -1.34 0.00 0.00 175.55 170.40 2kl2 n ASN 144 N 9.21 3.70 0.23 4.32 3.02 -0.66 -4.90 115.26 130.17 2kl2 n ASN 144 Ca 0.24 -3.45 0.11 0.00 -0.03 0.00 0.00 54.58 51.45 2kl2 n ASN 144 Cb 0.43 -0.65 0.43 0.00 -0.61 0.00 0.00 39.78 39.38 2kl2 n ASN 144 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2kl2 h PRO 145 N 3.92 0.00 0.00 3.52 0.13 -1.92 -3.39 132.00 134.26 2kl2 h PRO 145 Ca 0.18 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.19 2kl2 h PRO 145 Cb 0.64 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.66 2kl2 h PRO 145 CO 0.81 0.17 -0.24 -2.13 -0.23 0.00 0.00 178.00 176.39 2kl2 n ARG 146 N -3.27 0.37 -2.72 0.86 3.00 -1.26 -4.98 116.66 108.66 2kl2 n ARG 146 Ca 0.01 -0.90 -0.42 0.00 -0.00 0.00 0.00 57.85 56.54 2kl2 n ARG 146 Cb 0.45 0.46 -0.03 0.00 0.00 0.00 0.00 32.46 33.33 2kl2 n ARG 146 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2kl2 s GLU 147 N 0.04 3.16 -1.61 -0.14 0.41 -1.26 -4.13 118.70 115.16 2kl2 s GLU 147 Ca 0.02 -0.59 0.00 0.00 -0.41 0.00 0.00 54.97 54.00 2kl2 s GLU 147 Cb 0.12 -4.23 0.00 0.00 -1.78 0.00 0.00 34.13 28.24 2kl2 s GLU 147 CO -0.04 -1.97 0.00 0.09 -0.49 0.00 0.00 175.26 172.85 2kl2 n ASN 148 N 8.46 -4.85 0.00 -0.19 3.02 -1.26 -5.11 115.26 115.32 2kl2 n ASN 148 Ca 0.00 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 2kl2 n ASN 148 Cb 0.47 -4.18 0.00 0.00 -0.61 0.00 0.00 39.78 35.46 2kl2 n ASN 148 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50