#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl3 s GLU 2 N 0.00 3.90 0.60 3.17 8.01 -1.26 -4.92 118.70 128.19 2kl3 s GLU 2 Ca 0.00 1.65 0.32 0.00 0.01 0.00 0.00 54.97 56.95 2kl3 s GLU 2 Cb 0.00 -2.43 1.89 0.00 -4.31 0.00 0.00 34.13 29.28 2kl3 s GLU 2 CO 0.00 -0.40 2.26 -1.00 0.01 0.00 0.00 175.26 176.12 2kl3 h PRO 3 N 2.16 0.00 -2.36 0.39 0.13 -1.98 -3.40 132.00 126.95 2kl3 h PRO 3 Ca -0.49 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 2kl3 h PRO 3 Cb 1.23 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.11 2kl3 h PRO 3 CO 0.61 0.01 -0.29 -1.14 -0.23 0.00 0.00 178.00 176.96 2kl3 s GLN 4 N -4.49 0.40 -0.01 0.86 0.74 -1.26 -2.53 119.66 113.36 2kl3 s GLN 4 Ca -0.05 1.16 0.02 0.00 0.05 0.00 0.00 55.36 56.54 2kl3 s GLN 4 Cb 0.14 0.49 0.00 0.00 1.10 0.00 0.00 33.01 34.75 2kl3 s GLN 4 CO 0.53 -0.23 -0.06 -1.12 -0.55 0.00 0.00 175.29 173.86 2kl3 s SER 5 N 2.68 0.77 0.82 6.67 0.01 -1.03 -4.97 113.70 118.66 2kl3 s SER 5 Ca -0.03 -0.11 -0.10 0.00 1.31 0.00 0.00 55.95 57.01 2kl3 s SER 5 Cb -0.12 -0.17 0.09 0.00 0.21 0.00 0.00 66.02 66.03 2kl3 s SER 5 CO -0.15 0.04 1.11 -1.81 0.41 0.00 0.00 173.24 172.85 2kl3 s ASP 6 N 0.12 3.91 0.14 2.44 1.11 -1.26 -1.03 116.67 122.10 2kl3 s ASP 6 Ca -0.01 1.97 -0.19 0.00 0.18 0.00 0.00 52.55 54.50 2kl3 s ASP 6 Cb -0.06 -2.54 0.02 0.00 1.07 0.00 0.00 42.92 41.41 2kl3 s ASP 6 CO -0.00 -2.44 1.68 0.00 1.18 0.00 0.00 175.17 175.59 2kl3 h ALA 7 N -1.38 0.13 0.00 5.23 0.00 -1.78 -2.09 119.26 119.38 2kl3 h ALA 7 Ca -0.43 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2kl3 h ALA 7 Cb 1.25 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 2kl3 h ALA 7 CO 0.48 -0.50 -0.20 1.12 0.00 0.00 0.00 179.25 180.15 2kl3 h HIS 8 N -0.04 0.00 0.34 0.00 -0.00 -1.89 0.27 115.15 113.82 2kl3 h HIS 8 Ca 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.48 2kl3 h HIS 8 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.65 2kl3 h HIS 8 CO -0.28 0.20 -0.16 0.28 -0.00 0.00 0.00 177.93 177.97 2kl3 h VAL 9 N 0.00 0.67 -0.76 6.12 2.07 -1.75 0.12 116.25 122.72 2kl3 h VAL 9 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2kl3 h VAL 9 Cb 0.50 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 2kl3 h VAL 9 CO 0.03 0.00 0.37 0.25 0.02 0.00 0.00 177.57 178.24 2kl3 h LEU 10 N -0.45 0.99 -0.65 2.57 5.85 -1.17 -2.43 115.31 120.02 2kl3 h LEU 10 Ca -0.05 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.59 2kl3 h LEU 10 Cb 0.35 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 2kl3 h LEU 10 CO 0.08 0.85 0.38 0.50 -0.34 0.00 0.00 178.44 179.90 2kl3 h LYS 11 N 1.07 0.69 -0.15 1.25 3.64 -0.80 -0.29 116.57 121.98 2kl3 h LYS 11 Ca 0.26 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 2kl3 h LYS 11 Cb 0.11 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2kl3 h LYS 11 CO -0.03 0.46 -0.03 0.77 -2.27 0.00 0.00 179.45 178.34 2kl3 h SER 12 N 0.71 0.20 0.27 4.20 0.02 -0.41 -0.98 113.55 117.56 2kl3 h SER 12 Ca 0.28 -0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 61.04 2kl3 h SER 12 Cb 0.12 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2kl3 h SER 12 CO -0.15 0.27 -0.67 0.03 -1.14 0.00 0.00 176.83 175.18 2kl3 h ARG 13 N 0.22 0.37 0.15 3.45 3.08 -0.79 0.70 114.38 121.54 2kl3 h ARG 13 Ca 0.05 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 2kl3 h ARG 13 Cb 0.21 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2kl3 h ARG 13 CO 0.01 0.90 -0.07 1.25 -1.07 0.00 0.00 179.97 180.99 2kl3 h LEU 14 N 0.26 -0.17 0.00 3.04 6.46 -0.05 -2.50 115.31 122.35 2kl3 h LEU 14 Ca -0.02 -0.18 -0.04 0.00 -0.12 0.00 0.00 57.88 57.52 2kl3 h LEU 14 Cb 1.21 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 41.18 2kl3 h LEU 14 CO 0.11 0.09 -0.23 -0.33 -0.62 0.00 0.00 178.44 177.46 2kl3 h GLU 15 N -0.43 0.00 0.03 1.25 5.08 -1.28 -3.43 114.58 115.81 2kl3 h GLU 15 Ca -0.02 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.96 2kl3 h GLU 15 Cb 0.34 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 2kl3 h GLU 15 CO 0.03 0.72 -2.31 0.91 -1.00 0.00 0.00 179.01 177.36 2kl3 n TRP 16 N -4.62 0.35 -0.14 4.33 7.02 0.16 -5.01 117.44 119.53 2kl3 n TRP 16 Ca -0.11 0.08 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 2kl3 n TRP 16 Cb 0.39 -1.05 0.00 0.00 -2.42 0.00 0.00 31.31 28.23 2kl3 n TRP 16 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2kl3 n GLY 17 N 2.08 1.04 3.72 6.99 0.00 0.19 -4.94 105.19 114.27 2kl3 n GLY 17 Ca -0.39 -1.55 -0.28 0.00 0.00 0.00 0.00 46.02 43.80 2kl3 n GLY 17 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kl3 s GLU 18 N 0.57 2.62 -0.11 1.61 1.03 -1.17 -4.80 118.70 118.45 2kl3 s GLU 18 Ca 0.00 -0.93 0.03 0.00 0.03 0.00 0.00 54.97 54.10 2kl3 s GLU 18 Cb 0.00 -2.52 0.25 0.00 -0.80 0.00 0.00 34.13 31.07 2kl3 s GLU 18 CO 0.00 0.50 1.10 -0.35 -1.33 0.00 0.00 175.26 175.17 2kl3 n PRO 19 N 0.06 1.92 -1.17 -4.83 -0.04 -1.26 -4.64 135.00 125.04 2kl3 n PRO 19 Ca -0.10 -1.04 -0.21 0.00 -0.04 0.00 0.00 63.50 62.11 2kl3 n PRO 19 Cb 0.54 -1.60 -0.12 0.00 -0.04 0.00 0.00 33.50 32.28 2kl3 n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kl3 n ALA 20 N 0.09 6.67 -3.14 0.55 0.00 -1.26 -4.82 120.51 118.60 2kl3 n ALA 20 Ca 0.14 -2.44 -0.11 0.00 0.00 0.00 0.00 53.44 51.02 2kl3 n ALA 20 Cb 0.72 -2.55 -0.04 0.00 0.00 0.00 0.00 19.45 17.57 2kl3 n ALA 20 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2kl3 s PHE 21 N 0.84 -0.31 -0.08 0.00 -0.12 -1.26 -4.65 117.98 112.40 2kl3 s PHE 21 Ca 0.66 0.09 0.02 0.00 -0.05 0.00 0.00 56.93 57.65 2kl3 s PHE 21 Cb 0.29 0.33 0.02 0.00 -0.63 0.00 0.00 43.02 43.02 2kl3 s PHE 21 CO -0.04 -0.71 -0.12 0.99 -0.05 0.00 0.00 175.22 175.29 2kl3 s THR 22 N -3.47 1.16 -0.17 -4.49 2.01 0.38 -5.01 115.64 106.05 2kl3 s THR 22 Ca 0.01 -0.47 -0.11 0.00 0.31 0.00 0.00 61.69 61.43 2kl3 s THR 22 Cb 0.01 -1.08 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 2kl3 s THR 22 CO -0.10 0.37 0.18 -0.63 -0.69 0.00 0.00 174.62 173.75 2kl3 s ILE 23 N 0.87 5.39 -0.14 1.82 1.01 -1.26 -0.37 121.20 128.52 2kl3 s ILE 23 Ca -0.11 0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.87 2kl3 s ILE 23 Cb -0.15 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.82 2kl3 s ILE 23 CO 0.01 0.47 -0.20 -0.76 0.00 0.00 0.00 174.94 174.46 2kl3 s LEU 24 N 0.08 2.25 -0.41 2.97 1.43 0.06 -0.69 118.68 124.36 2kl3 s LEU 24 Ca 0.12 -0.55 -0.18 0.00 -1.03 0.00 0.00 54.13 52.49 2kl3 s LEU 24 Cb -0.12 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.63 2kl3 s LEU 24 CO 0.01 0.09 0.50 -0.62 0.23 0.00 0.00 176.35 176.56 2kl3 s ASP 25 N 0.77 6.25 0.00 2.29 2.15 -0.90 -1.42 116.67 125.81 2kl3 s ASP 25 Ca -0.07 -0.46 0.18 0.00 0.43 0.00 0.00 52.55 52.62 2kl3 s ASP 25 Cb -0.16 -2.25 0.43 0.00 -0.30 0.00 0.00 42.92 40.64 2kl3 s ASP 25 CO -0.00 -0.60 1.35 1.33 -0.17 0.00 0.00 175.17 177.07 2kl3 n VAL 26 N 5.53 0.80 0.06 1.11 0.24 -0.59 -3.20 118.33 122.28 2kl3 n VAL 26 Ca -0.06 -0.90 -0.10 0.00 -2.04 0.00 0.00 64.34 61.25 2kl3 n VAL 26 Cb 0.48 0.68 -0.07 0.00 -1.47 0.00 0.00 33.84 33.46 2kl3 n VAL 26 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 2kl3 h ARG 27 N 3.36 -0.23 -1.55 7.34 0.11 -1.84 0.24 114.38 121.82 2kl3 h ARG 27 Ca 0.00 0.02 0.16 0.00 0.10 0.00 0.00 59.98 60.25 2kl3 h ARG 27 Cb 0.85 0.05 -0.22 0.00 1.11 0.00 0.00 29.97 31.77 2kl3 h ARG 27 CO 0.00 0.16 0.68 0.34 0.10 0.00 0.00 179.97 181.25 2kl3 s ASP 28 N -5.43 -0.25 0.12 0.08 2.15 -1.26 -4.65 116.67 107.42 2kl3 s ASP 28 Ca -0.11 0.18 -0.17 0.00 0.43 0.00 0.00 52.55 52.88 2kl3 s ASP 28 Cb 0.00 0.22 -0.03 0.00 -0.30 0.00 0.00 42.92 42.82 2kl3 s ASP 28 CO 0.42 -0.30 1.63 -0.09 -0.17 0.00 0.00 175.17 176.67 2kl3 h ARG 29 N 2.25 0.56 0.15 4.34 9.65 -1.94 0.12 114.38 129.51 2kl3 h ARG 29 Ca -0.15 -0.13 -0.29 0.00 -1.10 0.00 0.00 59.98 58.32 2kl3 h ARG 29 Cb 1.18 -0.08 0.03 0.00 -1.39 0.00 0.00 29.97 29.71 2kl3 h ARG 29 CO 0.27 0.59 -1.21 0.77 2.80 0.00 0.00 179.97 183.19 2kl3 h SER 30 N 0.42 0.80 -0.19 -3.80 0.02 -1.99 -2.71 113.55 106.10 2kl3 h SER 30 Ca 0.11 -0.86 -0.02 0.00 -0.84 0.00 0.00 61.79 60.19 2kl3 h SER 30 Cb 0.27 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2kl3 h SER 30 CO -0.00 1.59 0.08 0.74 -1.14 0.00 0.00 176.83 178.09 2kl3 h THR 31 N 0.13 1.11 -0.02 -2.27 2.02 -1.94 0.12 112.91 112.07 2kl3 h THR 31 Ca -0.19 -0.38 0.03 0.00 0.77 0.00 0.00 66.41 66.64 2kl3 h THR 31 Cb 1.91 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 69.12 2kl3 h THR 31 CO 0.23 0.14 -0.19 0.22 0.37 0.00 0.00 175.52 176.28 2kl3 h TYR 32 N 0.35 -0.50 -0.93 3.16 3.20 -0.69 0.27 116.97 121.82 2kl3 h TYR 32 Ca 0.09 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.01 2kl3 h TYR 32 Cb 0.11 0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.55 2kl3 h TYR 32 CO 0.00 -0.27 0.61 -0.91 -1.64 0.00 0.00 178.16 175.95 2kl3 h ASN 33 N -0.30 1.01 -0.51 -2.11 2.35 -0.96 -2.72 115.58 112.34 2kl3 h ASN 33 Ca 0.06 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2kl3 h ASN 33 Cb 0.39 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 2kl3 h ASN 33 CO -0.19 0.70 0.32 0.44 -1.65 0.00 0.00 177.43 177.05 2kl3 h ASP 34 N 1.18 0.55 -2.82 5.81 3.32 -0.31 0.42 116.42 124.57 2kl3 h ASP 34 Ca 0.37 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.47 2kl3 h ASP 34 Cb -0.01 -0.13 -0.24 0.00 0.22 0.00 0.00 39.33 39.17 2kl3 h ASP 34 CO -0.12 0.39 0.20 -0.83 -1.72 0.00 0.00 179.24 177.17 2kl3 s GLY 35 N -2.70 -0.33 0.21 2.75 0.00 0.04 -0.37 107.32 106.93 2kl3 s GLY 35 Ca -0.13 2.76 -0.21 0.00 0.00 0.00 0.00 44.72 47.14 2kl3 s GLY 35 CO 0.74 2.46 0.62 -2.38 0.00 0.00 0.00 173.10 174.54 2kl3 s HIS 36 N 1.42 -0.32 0.45 1.90 -3.43 0.11 -4.37 115.29 111.05 2kl3 s HIS 36 Ca -0.09 -0.01 -0.25 0.00 -0.80 0.00 0.00 55.06 53.91 2kl3 s HIS 36 Cb -0.04 0.57 -0.08 0.00 -1.43 0.00 0.00 32.58 31.60 2kl3 s HIS 36 CO -0.17 -1.00 1.38 0.42 -2.00 0.00 0.00 174.74 173.37 2kl3 s ILE 37 N -3.84 2.25 -0.37 -5.38 1.01 -1.26 -0.01 121.20 113.60 2kl3 s ILE 37 Ca 0.06 0.22 -0.32 0.00 0.00 0.00 0.00 60.65 60.61 2kl3 s ILE 37 Cb -0.03 -3.13 -0.10 0.00 0.01 0.00 0.00 42.46 39.22 2kl3 s ILE 37 CO -0.04 0.03 2.26 0.80 0.00 0.00 0.00 174.94 177.99 2kl3 n MET 38 N -0.23 1.23 -1.23 2.79 0.00 -0.75 -1.35 117.12 117.59 2kl3 n MET 38 Ca 0.05 0.29 0.00 0.00 -0.00 0.00 0.00 57.70 58.05 2kl3 n MET 38 Cb 0.43 -2.74 0.00 0.00 0.00 0.00 0.00 33.22 30.91 2kl3 n MET 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2kl3 n GLY 39 N 6.28 0.68 3.89 -5.12 0.00 -1.26 -4.99 105.19 104.67 2kl3 n GLY 39 Ca 0.39 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 2kl3 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kl3 s ALA 40 N -2.00 3.19 0.09 4.61 0.00 -0.46 -4.77 121.76 122.43 2kl3 s ALA 40 Ca 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 51.96 51.59 2kl3 s ALA 40 Cb 0.00 -2.85 -0.05 0.00 0.00 0.00 0.00 23.12 20.22 2kl3 s ALA 40 CO 0.00 -0.66 0.30 -1.64 0.00 0.00 0.00 175.76 173.76 2kl3 s MET 41 N -5.04 3.55 -1.03 0.00 -1.94 0.13 -4.96 119.30 110.02 2kl3 s MET 41 Ca 0.53 -0.20 -0.20 0.00 -1.71 0.00 0.00 55.69 54.11 2kl3 s MET 41 Cb -0.11 -2.95 0.09 0.00 2.01 0.00 0.00 34.83 33.87 2kl3 s MET 41 CO 0.50 0.55 1.36 0.00 -0.01 0.00 0.00 175.02 177.41 2kl3 s ALA 42 N -1.54 3.11 -0.50 3.03 0.00 -1.26 -2.11 121.76 122.49 2kl3 s ALA 42 Ca 0.37 -2.60 0.03 0.00 0.00 0.00 0.00 51.96 49.76 2kl3 s ALA 42 Cb -0.13 -4.34 0.15 0.00 0.00 0.00 0.00 23.12 18.81 2kl3 s ALA 42 CO 0.24 -3.29 0.33 -1.64 0.00 0.00 0.00 175.76 171.40 2kl3 s MET 43 N 3.81 1.47 0.37 0.00 -1.94 -1.19 -4.99 119.30 116.82 2kl3 s MET 43 Ca 0.42 -2.36 -0.26 0.00 -1.71 0.00 0.00 55.69 51.77 2kl3 s MET 43 Cb -0.02 -2.34 -0.09 0.00 2.01 0.00 0.00 34.83 34.40 2kl3 s MET 43 CO -0.07 -1.26 1.16 -1.25 -0.01 0.00 0.00 175.02 173.59 2kl3 s PRO 44 N -0.18 4.20 0.60 2.03 0.04 -1.23 -3.37 135.00 137.10 2kl3 s PRO 44 Ca 0.24 1.84 0.28 0.00 0.04 0.00 0.00 61.00 63.39 2kl3 s PRO 44 Cb -0.11 -2.80 1.32 0.00 0.04 0.00 0.00 34.50 32.95 2kl3 s PRO 44 CO -0.10 -0.19 1.72 0.97 0.04 0.00 0.00 177.00 179.45 2kl3 h ILE 45 N 2.53 0.22 0.04 0.56 2.10 -1.21 0.70 117.51 122.45 2kl3 h ILE 45 Ca -0.48 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.45 2kl3 h ILE 45 Cb 1.23 0.45 0.00 0.00 -1.09 0.00 0.00 36.82 37.41 2kl3 h ILE 45 CO 0.64 0.00 -0.02 -0.33 -1.08 0.00 0.00 178.15 177.36 2kl3 h GLU 46 N 0.00 -0.05 -0.19 2.19 5.08 -1.90 -3.34 114.58 116.37 2kl3 h GLU 46 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2kl3 h GLU 46 Cb 1.61 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.87 2kl3 h GLU 46 CO -0.00 0.36 0.00 -3.47 -1.00 0.00 0.00 179.01 174.90 2kl3 n ASP 47 N -4.91 2.97 -0.26 1.42 2.03 0.11 -4.69 116.55 113.21 2kl3 n ASP 47 Ca -0.08 -1.89 0.01 0.00 0.52 0.00 0.00 54.79 53.35 2kl3 n ASP 47 Cb 0.23 -0.12 0.08 0.00 -0.72 0.00 0.00 41.12 40.59 2kl3 n ASP 47 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2kl3 h LEU 48 N 3.90 -0.75 0.24 -2.67 5.85 0.06 0.11 115.31 122.06 2kl3 h LEU 48 Ca 0.00 0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 2kl3 h LEU 48 Cb 0.87 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 2kl3 h LEU 48 CO 0.00 -0.25 -0.18 0.58 -0.34 0.00 0.00 178.44 178.25 2kl3 h VAL 49 N -0.01 0.62 0.24 1.05 2.07 -1.86 0.07 116.25 118.44 2kl3 h VAL 49 Ca 0.35 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.86 2kl3 h VAL 49 Cb 0.55 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2kl3 h VAL 49 CO -0.77 0.00 -0.11 0.44 0.02 0.00 0.00 177.57 177.15 2kl3 h ASP 50 N -0.42 -0.27 -0.19 0.57 5.19 -1.77 -1.11 116.42 118.42 2kl3 h ASP 50 Ca -0.02 -0.10 0.05 0.00 -0.62 0.00 0.00 57.03 56.34 2kl3 h ASP 50 Cb 0.37 0.07 -0.07 0.00 0.18 0.00 0.00 39.33 39.88 2kl3 h ASP 50 CO -0.00 -0.06 -0.34 0.03 -3.12 0.00 0.00 179.24 175.75 2kl3 h ARG 51 N -0.48 -0.37 -0.53 3.56 2.47 -0.73 -0.94 114.38 117.37 2kl3 h ARG 51 Ca -0.03 0.02 -0.11 0.00 -1.26 0.00 0.00 59.98 58.60 2kl3 h ARG 51 Cb 0.36 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 2kl3 h ARG 51 CO 0.05 -0.24 -0.10 0.00 0.56 0.00 0.00 179.97 180.24 2kl3 h ALA 52 N 0.44 0.72 -0.21 0.04 0.00 -1.02 -2.39 119.26 116.85 2kl3 h ALA 52 Ca 0.11 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2kl3 h ALA 52 Cb 0.56 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2kl3 h ALA 52 CO -0.40 0.63 -0.00 1.03 0.00 0.00 0.00 179.25 180.50 2kl3 h SER 53 N 0.87 0.29 0.01 0.00 0.87 -0.84 0.29 113.55 115.03 2kl3 h SER 53 Ca 0.14 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2kl3 h SER 53 Cb 0.66 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2kl3 h SER 53 CO 0.05 0.35 -0.00 -1.28 -0.53 0.00 0.00 176.83 175.41 2kl3 h SER 54 N 0.31 -0.01 0.47 6.23 0.87 -1.05 -3.40 113.55 116.98 2kl3 h SER 54 Ca 0.07 -0.83 -0.30 0.00 -1.23 0.00 0.00 61.79 59.50 2kl3 h SER 54 Cb 0.22 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2kl3 h SER 54 CO 0.01 0.88 -1.52 0.28 -0.53 0.00 0.00 176.83 175.94 2kl3 h SER 55 N -0.94 0.35 -1.87 6.23 0.02 -1.40 -3.48 113.55 112.46 2kl3 h SER 55 Ca -0.00 -0.49 -0.52 0.00 -0.84 0.00 0.00 61.79 59.93 2kl3 h SER 55 Cb 0.84 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.20 2kl3 h SER 55 CO 0.00 1.41 -0.50 -0.76 -1.14 0.00 0.00 176.83 175.85 2kl3 s LEU 56 N -6.92 3.42 0.86 5.07 1.43 0.10 -5.09 118.68 117.56 2kl3 s LEU 56 Ca -0.09 -0.64 -0.08 0.00 -1.03 0.00 0.00 54.13 52.29 2kl3 s LEU 56 Cb 0.07 -1.96 0.18 0.00 0.03 0.00 0.00 46.19 44.51 2kl3 s LEU 56 CO 0.85 -0.32 1.18 -1.61 0.23 0.00 0.00 176.35 176.68 2kl3 s GLU 57 N -3.91 0.98 -0.09 1.70 8.01 -1.26 -4.53 118.70 119.59 2kl3 s GLU 57 Ca 0.39 -0.90 0.18 0.00 0.01 0.00 0.00 54.97 54.65 2kl3 s GLU 57 Cb -0.04 -2.09 -0.26 0.00 -4.31 0.00 0.00 34.13 27.43 2kl3 s GLU 57 CO 0.24 -2.04 0.25 1.63 0.01 0.00 0.00 175.26 175.36 2kl3 n LYS 58 N -3.35 0.83 0.00 1.61 5.02 -1.26 -4.20 118.16 116.81 2kl3 n LYS 58 Ca 0.17 -0.10 0.13 0.00 -2.02 0.00 0.00 58.31 56.49 2kl3 n LYS 58 Cb 0.60 -1.45 0.44 0.00 -0.02 0.00 0.00 35.03 34.60 2kl3 n LYS 58 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2kl3 n SER 59 N -2.38 0.88 -4.74 4.39 7.64 -1.26 0.12 113.62 118.27 2kl3 n SER 59 Ca -0.15 -0.81 -0.41 0.00 1.01 0.00 0.00 58.87 58.51 2kl3 n SER 59 Cb 0.76 0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 64.01 2kl3 n SER 59 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2kl3 s ARG 60 N -2.49 4.37 -0.67 1.43 6.06 -1.26 -4.50 118.95 121.89 2kl3 s ARG 60 Ca 0.25 2.11 -0.26 0.00 -2.50 0.00 0.00 55.73 55.33 2kl3 s ARG 60 Cb 0.19 -3.17 -0.06 0.00 0.06 0.00 0.00 34.95 31.98 2kl3 s ARG 60 CO 0.51 -0.27 2.11 -0.51 -2.50 0.00 0.00 175.30 174.64 2kl3 s ASP 61 N 0.26 4.81 -0.15 -2.12 1.11 -1.26 -4.20 116.67 115.12 2kl3 s ASP 61 Ca 0.56 0.29 -0.04 0.00 0.18 0.00 0.00 52.55 53.54 2kl3 s ASP 61 Cb -0.38 -2.53 -0.03 0.00 1.07 0.00 0.00 42.92 41.05 2kl3 s ASP 61 CO 0.40 -2.82 -0.00 -0.63 1.18 0.00 0.00 175.17 173.30 2kl3 s ILE 62 N 10.99 4.22 -0.23 0.77 1.01 0.13 -0.47 121.20 137.61 2kl3 s ILE 62 Ca 0.80 -0.25 -0.03 0.00 0.00 0.00 0.00 60.65 61.16 2kl3 s ILE 62 Cb -0.13 -2.84 0.00 0.00 0.01 0.00 0.00 42.46 39.50 2kl3 s ILE 62 CO 0.16 0.51 -0.04 -0.31 0.00 0.00 0.00 174.94 175.26 2kl3 s TYR 63 N 0.06 3.00 -0.09 3.97 1.51 0.50 -0.39 117.35 125.91 2kl3 s TYR 63 Ca 0.02 -1.14 -0.03 0.00 -1.01 0.00 0.00 57.07 54.91 2kl3 s TYR 63 Cb -0.13 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.58 2kl3 s TYR 63 CO 0.02 -0.61 0.03 0.08 -1.11 0.00 0.00 175.55 173.96 2kl3 s VAL 64 N 1.43 4.59 -0.08 0.71 1.01 -0.30 -0.76 120.40 126.99 2kl3 s VAL 64 Ca 0.04 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 2kl3 s VAL 64 Cb -0.15 -2.95 0.04 0.00 0.00 0.00 0.00 36.38 33.32 2kl3 s VAL 64 CO -0.03 0.61 0.20 -0.72 0.00 0.00 0.00 175.10 175.15 2kl3 s TYR 65 N -0.92 -0.24 0.00 5.22 1.13 -0.51 -1.27 117.35 120.76 2kl3 s TYR 65 Ca 0.14 0.62 0.00 0.00 -1.41 0.00 0.00 57.07 56.42 2kl3 s TYR 65 Cb -0.11 0.00 0.00 0.00 -1.10 0.00 0.00 41.96 40.75 2kl3 s TYR 65 CO 0.03 -0.18 0.00 0.41 -2.51 0.00 0.00 175.55 173.29 2kl3 n GLY 66 N 4.00 2.55 0.24 5.49 0.00 -1.26 -1.54 105.19 114.67 2kl3 n GLY 66 Ca -0.24 -2.07 -0.15 0.00 0.00 0.00 0.00 46.02 43.57 2kl3 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kl3 h ALA 67 N -0.38 0.44 -1.88 4.61 0.00 -1.90 -3.37 119.26 116.77 2kl3 h ALA 67 Ca 0.00 -0.49 -0.60 0.00 0.00 0.00 0.00 54.91 53.82 2kl3 h ALA 67 Cb 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 17.60 2kl3 h ALA 67 CO 0.00 0.61 -0.63 0.20 0.00 0.00 0.00 179.25 179.43 2kl3 s GLY 68 N -3.89 2.17 0.19 0.00 0.00 -1.26 -4.69 107.32 99.84 2kl3 s GLY 68 Ca -0.11 -2.04 -0.12 0.00 0.00 0.00 0.00 44.72 42.44 2kl3 s GLY 68 CO 0.87 -1.96 1.83 -1.80 0.00 0.00 0.00 173.10 172.04 2kl3 h ASP 69 N 1.84 0.60 -0.04 1.64 1.82 -1.89 -2.09 116.42 118.30 2kl3 h ASP 69 Ca -0.43 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.21 2kl3 h ASP 69 Cb 1.25 -0.13 -0.00 0.00 0.68 0.00 0.00 39.33 41.13 2kl3 h ASP 69 CO 0.69 0.42 0.03 -0.08 -1.61 0.00 0.00 179.24 178.69 2kl3 h GLU 70 N 0.72 0.05 -0.82 0.28 4.81 -1.99 -1.47 114.58 116.17 2kl3 h GLU 70 Ca 0.24 -0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.55 2kl3 h GLU 70 Cb 0.01 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 2kl3 h GLU 70 CO -0.10 0.04 0.47 0.37 -0.73 0.00 0.00 179.01 179.06 2kl3 h GLN 71 N 0.05 0.77 0.14 1.92 4.15 -1.94 -1.28 115.11 118.90 2kl3 h GLN 71 Ca 0.01 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.40 2kl3 h GLN 71 Cb 0.00 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 2kl3 h GLN 71 CO -0.00 0.51 -0.24 1.15 -1.93 0.00 0.00 178.83 178.31 2kl3 h THR 72 N 0.79 0.47 -0.49 2.39 2.02 -0.91 -1.58 112.91 115.59 2kl3 h THR 72 Ca 0.39 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.50 2kl3 h THR 72 Cb 0.35 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 2kl3 h THR 72 CO -0.24 0.00 0.01 -1.28 0.37 0.00 0.00 175.52 174.38 2kl3 h SER 73 N -0.46 0.77 -0.26 4.18 0.87 -0.76 -2.17 113.55 115.73 2kl3 h SER 73 Ca 0.02 -0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.34 2kl3 h SER 73 Cb 0.47 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 2kl3 h SER 73 CO -0.12 0.83 -0.09 -0.61 -0.53 0.00 0.00 176.83 176.31 2kl3 h GLN 74 N 0.75 0.52 -0.47 2.24 4.15 -1.16 -1.59 115.11 119.55 2kl3 h GLN 74 Ca 0.15 -0.21 0.05 0.00 0.77 0.00 0.00 58.65 59.40 2kl3 h GLN 74 Cb 0.44 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.06 2kl3 h GLN 74 CO 0.02 0.75 0.22 0.00 -1.93 0.00 0.00 178.83 177.89 2kl3 h ALA 75 N 0.75 0.59 -0.86 3.38 0.00 -1.14 0.05 119.26 122.04 2kl3 h ALA 75 Ca 0.06 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.14 2kl3 h ALA 75 Cb 0.58 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 2kl3 h ALA 75 CO 0.03 -0.14 0.47 0.28 0.00 0.00 0.00 179.25 179.88 2kl3 h VAL 76 N 0.43 0.78 -0.30 0.00 2.07 -1.30 -1.26 116.25 116.67 2kl3 h VAL 76 Ca 0.21 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.51 2kl3 h VAL 76 Cb 0.15 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 2kl3 h VAL 76 CO -0.17 0.13 0.15 -1.13 0.02 0.00 0.00 177.57 176.57 2kl3 h ASN 77 N 0.69 0.24 -0.91 0.57 -1.24 -0.08 -2.23 115.58 112.62 2kl3 h ASN 77 Ca 0.46 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.46 2kl3 h ASN 77 Cb 0.60 -0.04 -0.04 0.00 0.73 0.00 0.00 38.32 39.57 2kl3 h ASN 77 CO -0.33 0.18 0.50 -0.07 -1.29 0.00 0.00 177.43 176.42 2kl3 h LEU 78 N 0.32 1.12 0.23 0.34 3.38 -0.23 0.18 115.31 120.67 2kl3 h LEU 78 Ca 0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2kl3 h LEU 78 Cb 0.03 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2kl3 h LEU 78 CO -0.08 0.90 -0.11 -0.07 0.09 0.00 0.00 178.44 179.17 2kl3 h LEU 79 N 1.26 -0.27 -1.86 1.67 3.38 -1.11 0.02 115.31 118.40 2kl3 h LEU 79 Ca 0.32 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2kl3 h LEU 79 Cb 0.01 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2kl3 h LEU 79 CO -0.05 0.04 -0.12 0.08 0.09 0.00 0.00 178.44 178.48 2kl3 h ARG 80 N -0.59 0.00 -0.65 1.13 0.11 -1.30 0.11 114.38 113.19 2kl3 h ARG 80 Ca -0.03 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.99 2kl3 h ARG 80 Cb 0.43 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.48 2kl3 h ARG 80 CO 0.05 0.12 0.19 1.03 0.10 0.00 0.00 179.97 181.47 2kl3 h SER 81 N 0.00 0.93 0.30 0.08 0.87 -0.45 -2.12 113.55 113.15 2kl3 h SER 81 Ca -0.00 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2kl3 h SER 81 Cb 0.25 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2kl3 h SER 81 CO 0.02 0.88 0.00 0.00 -0.53 0.00 0.00 176.83 177.20 2kl3 n ALA 82 N -2.45 2.25 0.00 6.23 0.00 0.22 -4.86 120.51 121.90 2kl3 n ALA 82 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2kl3 n ALA 82 Cb 0.22 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.29 2kl3 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl3 n GLY 83 N 0.62 0.63 3.60 0.00 0.00 -0.72 -5.05 105.19 104.27 2kl3 n GLY 83 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2kl3 n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kl3 s PHE 84 N -2.00 1.42 0.04 1.61 0.40 -0.29 -4.85 117.98 114.31 2kl3 s PHE 84 Ca 0.00 0.61 -0.28 0.00 -0.60 0.00 0.00 56.93 56.67 2kl3 s PHE 84 Cb 0.00 -3.99 -0.17 0.00 0.51 0.00 0.00 43.02 39.36 2kl3 s PHE 84 CO 0.00 -3.56 1.45 0.93 0.70 0.00 0.00 175.22 174.74 2kl3 h GLU 85 N 14.38 -0.54 -3.68 0.44 5.08 0.64 -3.33 114.58 127.58 2kl3 h GLU 85 Ca -0.37 0.04 -0.78 0.00 -1.00 0.00 0.00 59.36 57.25 2kl3 h GLU 85 Cb 1.21 0.12 -0.28 0.00 0.50 0.00 0.00 28.75 30.30 2kl3 h GLU 85 CO 1.00 -0.28 0.16 -1.01 -1.00 0.00 0.00 179.01 177.88 2kl3 s HIS 86 N -5.40 3.91 -0.10 4.33 3.76 -1.02 -4.99 115.29 115.77 2kl3 s HIS 86 Ca -0.15 -2.36 -0.01 0.00 -0.15 0.00 0.00 55.06 52.38 2kl3 s HIS 86 Cb 0.03 -3.73 0.03 0.00 1.11 0.00 0.00 32.58 30.02 2kl3 s HIS 86 CO 0.58 -0.95 -0.03 0.08 -0.85 0.00 0.00 174.74 173.58 2kl3 s VAL 87 N -0.43 0.66 0.12 -0.90 1.01 -1.26 -0.70 120.40 118.91 2kl3 s VAL 87 Ca 0.23 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.16 2kl3 s VAL 87 Cb -0.11 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2kl3 s VAL 87 CO -0.08 0.26 -0.05 -0.55 0.00 0.00 0.00 175.10 174.67 2kl3 s SER 88 N 1.85 4.61 -0.23 3.32 0.15 0.48 -4.85 113.70 119.03 2kl3 s SER 88 Ca 0.04 -0.36 -0.14 0.00 0.70 0.00 0.00 55.95 56.19 2kl3 s SER 88 Cb -0.13 -0.95 -0.04 0.00 -1.71 0.00 0.00 66.02 63.19 2kl3 s SER 88 CO -0.07 0.15 0.34 -1.83 1.20 0.00 0.00 173.24 173.03 2kl3 s GLU 89 N -2.46 4.11 -0.92 5.44 -1.05 -1.05 -1.15 118.70 121.62 2kl3 s GLU 89 Ca 0.24 0.05 -0.24 0.00 -0.15 0.00 0.00 54.97 54.87 2kl3 s GLU 89 Cb -0.11 -3.57 0.01 0.00 -0.44 0.00 0.00 34.13 30.03 2kl3 s GLU 89 CO 0.16 -0.08 1.62 -1.17 0.95 0.00 0.00 175.26 176.73 2kl3 s LEU 90 N 1.46 3.34 -0.12 1.83 2.96 -0.39 -2.46 118.68 125.30 2kl3 s LEU 90 Ca 0.15 -0.95 -0.29 0.00 -0.22 0.00 0.00 54.13 52.82 2kl3 s LEU 90 Cb -0.15 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.93 2kl3 s LEU 90 CO 0.08 -2.00 1.83 -0.54 -1.32 0.00 0.00 176.35 174.39 2kl3 s LYS 91 N 5.87 3.82 0.00 1.98 -0.14 -0.20 -2.37 119.74 128.70 2kl3 s LYS 91 Ca 0.54 2.07 0.00 0.00 -1.36 0.00 0.00 55.97 57.22 2kl3 s LYS 91 Cb -0.04 -4.12 0.00 0.00 -1.68 0.00 0.00 37.83 31.98 2kl3 s LYS 91 CO -0.02 -1.29 0.00 0.41 -0.76 0.00 0.00 175.35 173.70 2kl3 n GLY 92 N 4.75 1.28 3.80 -3.33 0.00 -1.26 -2.38 105.19 108.04 2kl3 n GLY 92 Ca 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2kl3 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kl3 n GLY 93 N 0.00 -2.18 0.28 -0.02 0.00 -1.00 -3.54 105.19 98.73 2kl3 n GLY 93 Ca 0.00 -1.48 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 2kl3 n GLY 93 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2kl3 h LEU 94 N 0.00 0.93 -1.11 0.99 5.85 -1.84 -2.12 115.31 118.01 2kl3 h LEU 94 Ca 0.00 -0.35 0.09 0.00 0.84 0.00 0.00 57.88 58.46 2kl3 h LEU 94 Cb 0.00 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 40.71 2kl3 h LEU 94 CO 0.00 1.11 0.61 0.00 -0.34 0.00 0.00 178.44 179.82 2kl3 h ALA 95 N 0.95 1.54 -0.28 1.25 0.00 -1.89 0.15 119.26 120.98 2kl3 h ALA 95 Ca 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2kl3 h ALA 95 Cb 0.78 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2kl3 h ALA 95 CO 0.06 0.28 -0.06 0.00 0.00 0.00 0.00 179.25 179.53 2kl3 h ALA 96 N 1.52 0.38 -0.94 0.00 0.00 -1.55 0.15 119.26 118.83 2kl3 h ALA 96 Ca 0.43 -0.27 0.19 0.00 0.00 0.00 0.00 54.91 55.26 2kl3 h ALA 96 Cb 0.34 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 2kl3 h ALA 96 CO -0.19 0.18 0.60 2.35 0.00 0.00 0.00 179.25 182.20 2kl3 h TRP 97 N 0.29 0.74 0.12 0.00 2.91 -0.53 0.12 115.95 119.60 2kl3 h TRP 97 Ca 0.07 0.02 -0.28 0.00 1.13 0.00 0.00 58.89 59.83 2kl3 h TRP 97 Cb 0.53 -0.23 0.03 0.00 -0.51 0.00 0.00 29.16 28.98 2kl3 h TRP 97 CO 0.05 0.20 -1.18 0.87 -1.03 0.00 0.00 178.44 177.35 2kl3 h LYS 98 N 0.56 0.58 0.00 2.65 1.57 -0.52 0.27 116.57 121.68 2kl3 h LYS 98 Ca 0.50 -0.79 -0.05 0.00 -1.87 0.00 0.00 60.65 58.45 2kl3 h LYS 98 Cb 1.02 0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 2kl3 h LYS 98 CO -0.24 1.35 -0.22 0.00 -0.57 0.00 0.00 179.45 179.78 2kl3 h ALA 99 N 0.26 1.58 -0.04 3.86 0.00 0.47 0.05 119.26 125.44 2kl3 h ALA 99 Ca -0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2kl3 h ALA 99 Cb 1.87 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2kl3 h ALA 99 CO 0.23 0.27 0.00 0.44 0.00 0.00 0.00 179.25 180.19 2kl3 n ILE 100 N -4.19 0.05 -2.76 0.00 -5.35 0.30 -4.92 119.36 102.49 2kl3 n ILE 100 Ca -0.02 -0.12 -0.08 0.00 -0.27 0.00 0.00 62.75 62.27 2kl3 n ILE 100 Cb 0.28 -0.07 0.03 0.00 -1.74 0.00 0.00 39.64 38.14 2kl3 n ILE 100 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kl3 n GLY 101 N 0.98 0.34 3.90 3.28 0.00 0.00 -5.04 105.19 108.65 2kl3 n GLY 101 Ca 0.18 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 2kl3 n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kl3 s GLY 102 N -3.23 1.89 -0.01 -0.02 0.00 0.94 -5.01 107.32 101.87 2kl3 s GLY 102 Ca 0.14 -0.46 -0.30 0.00 0.00 0.00 0.00 44.72 44.09 2kl3 s GLY 102 CO 0.26 -0.33 1.28 2.56 0.00 0.00 0.00 173.10 176.86 2kl3 s PRO 103 N -3.60 4.34 0.06 2.90 0.04 -1.26 -4.67 135.00 132.81 2kl3 s PRO 103 Ca 0.46 1.80 0.06 0.00 0.04 0.00 0.00 61.00 63.36 2kl3 s PRO 103 Cb -0.11 -3.51 -0.03 0.00 0.04 0.00 0.00 34.50 30.89 2kl3 s PRO 103 CO 0.30 -0.46 -0.17 0.95 0.04 0.00 0.00 177.00 177.67 2kl3 s THR 104 N 2.03 1.33 0.03 1.26 -4.23 -1.26 -1.80 115.64 112.99 2kl3 s THR 104 Ca 0.59 -1.21 0.05 0.00 -1.18 0.00 0.00 61.69 59.95 2kl3 s THR 104 Cb -0.28 -1.21 -0.03 0.00 1.34 0.00 0.00 72.50 72.32 2kl3 s THR 104 CO 0.25 -0.03 -0.13 -1.61 -0.54 0.00 0.00 174.62 172.56 2kl3 s GLU 105 N -1.43 2.28 0.00 3.99 2.02 0.99 -4.74 118.70 121.81 2kl3 s GLU 105 Ca 0.03 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.14 2kl3 s GLU 105 Cb -0.09 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.82 2kl3 s GLU 105 CO 0.02 0.56 0.00 0.41 0.02 0.00 0.00 175.26 176.28 2kl3 n GLY 106 N 1.52 1.81 0.08 -1.39 0.00 -1.26 0.06 105.19 106.01 2kl3 n GLY 106 Ca -0.16 -0.93 -0.15 0.00 0.00 0.00 0.00 46.02 44.78 2kl3 n GLY 106 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kl3 h ILE 107 N 0.67 1.69 -0.24 -0.61 2.04 0.14 -2.98 117.51 118.21 2kl3 h ILE 107 Ca 0.00 -2.35 -0.07 0.00 1.00 0.00 0.00 64.86 63.43 2kl3 h ILE 107 Cb 0.00 3.28 -0.01 0.00 -0.74 0.00 0.00 36.82 39.34 2kl3 h ILE 107 CO 0.00 0.60 -0.17 0.40 0.00 0.00 0.00 178.15 178.98 2kl3 h ILE 108 N -0.94 1.23 0.00 -0.67 5.03 -0.93 -1.38 117.51 119.86 2kl3 h ILE 108 Ca -0.04 -1.05 0.00 0.00 -0.12 0.00 0.00 64.86 63.65 2kl3 h ILE 108 Cb 1.09 1.23 0.00 0.00 -3.03 0.00 0.00 36.82 36.11 2kl3 h ILE 108 CO -0.00 0.33 0.00 -0.33 -0.68 0.00 0.00 178.15 177.47 2kl3 h GLU 109 N 0.38 0.00 0.00 2.37 4.39 -1.54 0.42 114.58 120.61 2kl3 h GLU 109 Ca 0.07 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 2kl3 h GLU 109 Cb 0.52 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2kl3 h GLU 109 CO 0.03 0.00 -0.37 0.77 -1.16 0.00 0.00 179.01 178.29 2kl3 h SER 110 N 0.00 0.00 -0.27 1.42 0.02 -1.08 -3.40 113.55 110.24 2kl3 h SER 110 Ca 0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 2kl3 h SER 110 Cb 0.04 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 62.39 2kl3 h SER 110 CO 0.00 0.37 -0.54 -2.11 -1.14 0.00 0.00 176.83 173.41 2kl3 n ARG 111 N -3.32 1.04 -1.59 3.45 0.00 0.07 -5.12 116.66 111.20 2kl3 n ARG 111 Ca 0.01 -2.13 -0.39 0.00 -0.00 0.00 0.00 57.85 55.35 2kl3 n ARG 111 Cb 0.59 -0.99 0.04 0.00 -0.00 0.00 0.00 32.46 32.10 2kl3 n ARG 111 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2kl3 n THR 112 N 0.22 3.06 0.29 8.89 -2.24 0.13 -4.87 114.28 119.76 2kl3 n THR 112 Ca 0.07 -0.50 0.15 0.00 -2.27 0.00 0.00 64.05 61.50 2kl3 n THR 112 Cb 0.72 -1.07 0.89 0.00 -2.10 0.00 0.00 70.33 68.77 2kl3 n THR 112 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2kl3 h PRO 113 N 0.75 0.00 -5.86 -0.78 0.13 -2.01 -3.46 132.00 120.76 2kl3 h PRO 113 Ca -0.47 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.22 2kl3 h PRO 113 Cb 1.36 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.45 2kl3 h PRO 113 CO 0.52 0.02 -0.69 0.00 -0.23 0.00 0.00 178.00 177.62 2kl3 n ALA 114 N -2.31 -1.18 -2.50 -0.56 0.00 -1.26 -4.96 120.51 107.74 2kl3 n ALA 114 Ca -0.03 0.18 -0.13 0.00 0.00 0.00 0.00 53.44 53.46 2kl3 n ALA 114 Cb 0.11 -3.98 0.07 0.00 0.00 0.00 0.00 19.45 15.65 2kl3 n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl3 n GLY 115 N -1.53 0.80 3.47 0.00 0.00 -1.26 -5.13 105.19 101.54 2kl3 n GLY 115 Ca 0.01 -2.01 0.02 0.00 0.00 0.00 0.00 46.02 44.04 2kl3 n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kl3 s ALA 116 N -2.95 -2.79 0.12 4.61 0.00 -1.26 -5.18 121.76 114.31 2kl3 s ALA 116 Ca 0.37 1.97 0.05 0.00 0.00 0.00 0.00 51.96 54.36 2kl3 s ALA 116 Cb -0.02 -2.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 2kl3 s ALA 116 CO 0.25 -0.63 0.03 0.16 0.00 0.00 0.00 175.76 175.57 2kl3 s ASP 117 N 1.64 5.11 0.66 0.00 -4.77 -1.26 -5.14 116.67 112.91 2kl3 s ASP 117 Ca -0.05 -0.19 0.02 0.00 -3.30 0.00 0.00 52.55 49.03 2kl3 s ASP 117 Cb -0.03 -1.23 0.10 0.00 -1.09 0.00 0.00 42.92 40.67 2kl3 s ASP 117 CO -0.14 0.14 0.91 -1.81 0.70 0.00 0.00 175.17 174.97 2kl3 s ASP 118 N -2.55 4.67 0.00 2.11 1.11 -1.26 -5.11 116.67 115.64 2kl3 s ASP 118 Ca 0.27 -0.41 0.00 0.00 0.18 0.00 0.00 52.55 52.59 2kl3 s ASP 118 Cb -0.11 -0.09 0.00 0.00 1.07 0.00 0.00 42.92 43.79 2kl3 s ASP 118 CO 0.20 -1.62 0.00 0.00 1.18 0.00 0.00 175.17 174.93 2kl3 n TYR 119 N -2.61 0.00 -0.16 4.23 9.36 -1.26 -4.96 117.16 121.76 2kl3 n TYR 119 Ca 0.14 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.36 2kl3 n TYR 119 Cb 0.61 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.32 2kl3 n TYR 119 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2kl3 n ASN 120 N -0.84 0.00 -4.72 2.98 4.13 -1.26 -4.95 115.26 110.60 2kl3 n ASN 120 Ca 0.00 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 2kl3 n ASN 120 Cb 0.00 -1.12 -0.03 0.00 -1.54 0.00 0.00 39.78 37.09 2kl3 n ASN 120 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2kl3 s VAL 121 N -1.79 3.82 0.17 2.41 1.01 -1.26 -5.02 120.40 119.75 2kl3 s VAL 121 Ca 0.00 1.39 -0.18 0.00 0.00 0.00 0.00 61.98 63.20 2kl3 s VAL 121 Cb 0.00 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.41 2kl3 s VAL 121 CO 0.00 0.16 0.64 0.68 0.00 0.00 0.00 175.10 176.57 2kl3 s VAL 122 N 0.60 4.70 -0.21 2.92 -7.23 -1.26 -5.09 120.40 114.83 2kl3 s VAL 122 Ca 0.56 1.10 -0.17 0.00 -1.81 0.00 0.00 61.98 61.66 2kl3 s VAL 122 Cb -0.31 -3.82 0.06 0.00 0.56 0.00 0.00 36.38 32.87 2kl3 s VAL 122 CO 0.32 0.27 0.55 -0.44 -0.31 0.00 0.00 175.10 175.49 2kl3 s SER 123 N -1.60 -0.62 -0.29 4.85 0.01 -1.26 -5.17 113.70 109.62 2kl3 s SER 123 Ca 0.39 1.14 -0.16 0.00 1.31 0.00 0.00 55.95 58.63 2kl3 s SER 123 Cb -0.16 1.11 0.15 0.00 0.21 0.00 0.00 66.02 67.32 2kl3 s SER 123 CO 0.20 -0.20 0.98 -0.60 0.41 0.00 0.00 173.24 174.03 2kl3 s ARG 124 N 0.69 0.37 -0.25 12.44 3.52 -1.26 -5.18 118.95 129.27 2kl3 s ARG 124 Ca -0.03 0.66 -0.22 0.00 -0.13 0.00 0.00 55.73 56.01 2kl3 s ARG 124 Cb -0.05 0.11 0.07 0.00 -1.56 0.00 0.00 34.95 33.52 2kl3 s ARG 124 CO -0.05 -0.08 0.66 -1.17 -0.81 0.00 0.00 175.30 173.85 2kl3 s LEU 125 N 1.46 -0.55 -0.30 -0.88 1.98 -1.26 -5.16 118.68 113.96 2kl3 s LEU 125 Ca -0.08 1.34 -0.14 0.00 -2.89 0.00 0.00 54.13 52.36 2kl3 s LEU 125 Cb -0.04 2.27 0.14 0.00 0.66 0.00 0.00 46.19 49.22 2kl3 s LEU 125 CO -0.15 -0.23 0.85 -0.70 -1.89 0.00 0.00 176.35 174.23 2kl3 s GLU 126 N 0.45 0.43 -0.30 1.98 2.56 -1.26 -5.15 118.70 117.41 2kl3 s GLU 126 Ca -0.01 1.01 -0.11 0.00 0.00 0.00 0.00 54.97 55.86 2kl3 s GLU 126 Cb -0.05 0.52 0.18 0.00 2.00 0.00 0.00 34.13 36.78 2kl3 s GLU 126 CO -0.01 -0.14 0.92 -3.38 -0.56 0.00 0.00 175.26 172.10 2kl3 s HIS 127 N 2.40 -0.84 -0.07 5.30 -3.43 -1.26 -5.18 115.29 112.20 2kl3 s HIS 127 Ca -0.05 1.03 -0.12 0.00 -0.80 0.00 0.00 55.06 55.12 2kl3 s HIS 127 Cb -0.08 0.35 0.03 0.00 -1.43 0.00 0.00 32.58 31.45 2kl3 s HIS 127 CO -0.18 -0.45 0.30 -1.01 -2.00 0.00 0.00 174.74 171.40 2kl3 s HIS 128 N 2.80 -0.26 -0.29 0.38 3.76 -1.26 -5.15 115.29 115.27 2kl3 s HIS 128 Ca 0.04 0.58 -0.11 0.00 -0.15 0.00 0.00 55.06 55.42 2kl3 s HIS 128 Cb -0.10 0.10 0.12 0.00 1.11 0.00 0.00 32.58 33.80 2kl3 s HIS 128 CO -0.15 -0.24 0.64 -1.01 -0.85 0.00 0.00 174.74 173.12 2kl3 s HIS 129 N -0.43 -1.26 -0.86 1.40 3.76 -1.26 -5.04 115.29 111.61 2kl3 s HIS 129 Ca -0.05 2.25 0.27 0.00 -0.15 0.00 0.00 55.06 57.38 2kl3 s HIS 129 Cb -0.04 0.75 1.01 0.00 1.11 0.00 0.00 32.58 35.41 2kl3 s HIS 129 CO 0.02 -0.63 1.84 0.72 -0.85 0.00 0.00 174.74 175.84 2kl3 n HIS 130 N 5.25 0.48 0.00 1.40 8.25 -1.26 -4.93 115.22 124.42 2kl3 n HIS 130 Ca -0.13 0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2kl3 n HIS 130 Cb 0.51 -0.73 0.00 0.00 1.12 0.00 0.00 29.99 30.89 2kl3 n HIS 130 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kl3 n HIS 131 N -1.89 0.00 0.00 4.41 -0.00 -1.26 -5.41 115.22 111.07 2kl3 n HIS 131 Ca 0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.24 2kl3 n HIS 131 Cb 0.39 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.26 2kl3 n HIS 131 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41