#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 2.90 0.03 2.12 8.01 -1.26 -4.96 118.70 125.54 2kl3 s GLU 2 Ca 0.00 2.18 -0.26 0.00 0.01 0.00 0.00 54.97 56.89 2kl3 s GLU 2 Cb 0.00 -2.09 -0.17 0.00 -4.31 0.00 0.00 34.13 27.56 2kl3 s GLU 2 CO 0.00 -1.36 1.41 -1.35 0.01 0.00 0.00 175.26 173.97 2kl3 h PRO 3 N 1.10 -0.36 -4.94 0.39 0.11 -1.95 -3.43 132.00 122.92 2kl3 h PRO 3 Ca -0.51 0.02 -0.65 0.00 0.11 0.00 0.00 66.00 64.97 2kl3 h PRO 3 Cb 1.32 0.08 -0.35 0.00 0.11 0.00 0.00 31.00 32.15 2kl3 h PRO 3 CO 0.56 -0.10 -0.85 -0.65 -0.21 0.00 0.00 178.00 176.75 2kl3 s GLN 4 N -5.16 2.74 -0.18 1.05 -0.21 -1.26 -0.38 119.66 116.25 2kl3 s GLN 4 Ca -0.15 -0.83 -0.12 0.00 0.02 0.00 0.00 55.36 54.28 2kl3 s GLN 4 Cb 0.03 -2.51 -0.05 0.00 1.00 0.00 0.00 33.01 31.49 2kl3 s GLN 4 CO 0.59 -0.26 0.21 0.45 -2.12 0.00 0.00 175.29 174.16 2kl3 s SER 5 N 1.31 6.31 0.36 5.90 0.15 0.81 -4.92 113.70 123.62 2kl3 s SER 5 Ca 0.03 0.36 -0.27 0.00 0.70 0.00 0.00 55.95 56.77 2kl3 s SER 5 Cb -0.14 -2.14 -0.09 0.00 -1.71 0.00 0.00 66.02 61.94 2kl3 s SER 5 CO -0.12 0.13 1.21 -0.62 1.20 0.00 0.00 173.24 175.05 2kl3 s ASP 6 N 0.45 6.72 0.22 5.45 -1.08 -1.26 -0.75 116.67 126.42 2kl3 s ASP 6 Ca 0.12 2.46 -0.08 0.00 -0.52 0.00 0.00 52.55 54.53 2kl3 s ASP 6 Cb -0.12 -2.63 0.31 0.00 -1.46 0.00 0.00 42.92 39.02 2kl3 s ASP 6 CO 0.01 -0.54 1.76 0.00 0.52 0.00 0.00 175.17 176.92 2kl3 h ALA 7 N 3.10 0.89 -0.30 3.66 0.00 -1.94 -0.63 119.26 124.05 2kl3 h ALA 7 Ca -0.48 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2kl3 h ALA 7 Cb 1.23 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2kl3 h ALA 7 CO 0.64 -0.11 0.10 1.25 0.00 0.00 0.00 179.25 181.13 2kl3 h HIS 8 N 0.52 0.47 -0.74 0.00 -0.00 -1.92 -1.09 115.15 112.39 2kl3 h HIS 8 Ca 0.33 -0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.63 2kl3 h HIS 8 Cb 0.37 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.61 2kl3 h HIS 8 CO -0.13 0.49 0.36 0.28 -0.00 0.00 0.00 177.93 178.92 2kl3 h VAL 9 N 0.32 1.23 -0.49 5.26 2.07 -1.81 -0.64 116.25 122.20 2kl3 h VAL 9 Ca 0.10 -0.65 -0.11 0.00 0.82 0.00 0.00 66.70 66.86 2kl3 h VAL 9 Cb 0.23 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2kl3 h VAL 9 CO -0.00 0.28 -0.11 0.25 0.02 0.00 0.00 177.57 178.00 2kl3 h LEU 10 N 1.05 0.94 -0.63 2.57 5.85 -0.99 0.49 115.31 124.59 2kl3 h LEU 10 Ca 0.26 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.64 2kl3 h LEU 10 Cb 0.10 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 2kl3 h LEU 10 CO -0.03 1.08 0.40 0.50 -0.34 0.00 0.00 178.44 180.04 2kl3 h LYS 11 N 0.79 0.77 -0.37 1.25 3.64 -0.69 0.28 116.57 122.24 2kl3 h LYS 11 Ca 0.13 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.31 2kl3 h LYS 11 Cb 0.66 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2kl3 h LYS 11 CO 0.05 0.51 -0.36 0.77 -2.27 0.00 0.00 179.45 178.15 2kl3 h SER 12 N 0.79 0.92 0.40 4.20 0.02 -1.01 -0.54 113.55 118.33 2kl3 h SER 12 Ca 0.24 -0.40 -0.05 0.00 -0.84 0.00 0.00 61.79 60.74 2kl3 h SER 12 Cb -0.02 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 2kl3 h SER 12 CO -0.08 1.18 -0.22 -0.09 -1.14 0.00 0.00 176.83 176.47 2kl3 h ARG 13 N 0.72 0.00 0.09 3.45 2.43 -0.55 0.31 114.38 120.82 2kl3 h ARG 13 Ca 0.07 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2kl3 h ARG 13 Cb 0.93 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 2kl3 h ARG 13 CO 0.09 0.22 -0.04 1.25 -1.51 0.00 0.00 179.97 179.97 2kl3 h LEU 14 N 0.00 -0.10 -0.02 3.80 6.46 -0.00 -1.19 115.31 124.25 2kl3 h LEU 14 Ca -0.00 -0.17 -0.26 0.00 -0.12 0.00 0.00 57.88 57.33 2kl3 h LEU 14 Cb 0.48 0.03 0.01 0.00 -0.73 0.00 0.00 40.66 40.45 2kl3 h LEU 14 CO 0.03 0.46 -1.10 -0.33 -0.62 0.00 0.00 178.44 176.89 2kl3 h GLU 15 N -1.01 0.45 -0.24 1.25 5.08 -1.13 -3.30 114.58 115.68 2kl3 h GLU 15 Ca -0.01 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 2kl3 h GLU 15 Cb 0.26 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2kl3 h GLU 15 CO 0.02 1.22 0.00 0.91 -1.00 0.00 0.00 179.01 180.16 2kl3 n TRP 16 N -3.72 0.30 0.00 4.33 7.02 0.11 -4.94 117.44 120.54 2kl3 n TRP 16 Ca -0.09 -0.19 0.00 0.00 -1.02 0.00 0.00 57.50 56.20 2kl3 n TRP 16 Cb 0.92 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.81 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 1.14 1.61 3.35 6.99 0.00 -0.97 -4.90 105.19 112.41 2kl3 n GLY 17 Ca 0.14 -0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 2kl3 n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kl3 s GLU 18 N 2.48 0.44 0.00 1.61 2.56 -0.49 -4.95 118.70 120.35 2kl3 s GLU 18 Ca 0.00 1.13 -0.03 0.00 0.00 0.00 0.00 54.97 56.08 2kl3 s GLU 18 Cb 0.00 0.47 -0.11 0.00 2.00 0.00 0.00 34.13 36.48 2kl3 s GLU 18 CO 0.00 -0.31 2.10 -2.30 -0.56 0.00 0.00 175.26 174.20 2kl3 n PRO 19 N 5.41 1.07 0.00 4.30 -0.02 -1.26 -4.25 135.00 140.26 2kl3 n PRO 19 Ca -0.09 -0.42 0.14 0.00 -2.02 0.00 0.00 63.50 61.11 2kl3 n PRO 19 Cb 0.49 -1.60 0.55 0.00 -0.02 0.00 0.00 33.50 32.93 2kl3 n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kl3 n ALA 20 N 2.32 2.63 -2.64 3.55 0.00 -1.26 -4.87 120.51 120.23 2kl3 n ALA 20 Ca 0.18 -0.17 -0.25 0.00 0.00 0.00 0.00 53.44 53.21 2kl3 n ALA 20 Cb 0.50 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 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 -2.95 3.50 -0.21 0.00 -0.71 -1.26 -4.79 117.98 111.56 2kl3 s PHE 21 Ca 0.15 0.40 -0.02 0.00 -1.04 0.00 0.00 56.93 56.42 2kl3 s PHE 21 Cb 0.19 -1.93 -0.00 0.00 -1.21 0.00 0.00 43.02 40.07 2kl3 s PHE 21 CO 0.56 0.15 -0.09 0.99 -1.34 0.00 0.00 175.22 175.49 2kl3 s THR 22 N -2.24 2.99 -0.13 -4.49 2.01 -0.57 -4.99 115.64 108.23 2kl3 s THR 22 Ca 0.41 -0.62 -0.17 0.00 0.31 0.00 0.00 61.69 61.62 2kl3 s THR 22 Cb -0.10 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 2kl3 s THR 22 CO 0.34 0.46 0.42 -0.63 -0.69 0.00 0.00 174.62 174.52 2kl3 s ILE 23 N 1.41 5.23 -0.13 1.82 1.01 -1.26 -0.32 121.20 128.95 2kl3 s ILE 23 Ca 0.05 0.82 -0.02 0.00 0.00 0.00 0.00 60.65 61.51 2kl3 s ILE 23 Cb -0.14 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 2kl3 s ILE 23 CO -0.06 0.34 -0.09 -0.76 0.00 0.00 0.00 174.94 174.38 2kl3 s LEU 24 N 0.59 2.98 -0.55 2.97 1.43 0.28 -0.86 118.68 125.52 2kl3 s LEU 24 Ca 0.23 -0.22 -0.20 0.00 -1.03 0.00 0.00 54.13 52.91 2kl3 s LEU 24 Cb -0.14 -1.69 0.07 0.00 0.03 0.00 0.00 46.19 44.46 2kl3 s LEU 24 CO 0.08 0.19 0.71 -0.62 0.23 0.00 0.00 176.35 176.94 2kl3 s ASP 25 N 0.25 6.22 0.00 2.29 -1.08 0.10 -2.20 116.67 122.25 2kl3 s ASP 25 Ca -0.06 -1.03 0.22 0.00 -0.52 0.00 0.00 52.55 51.16 2kl3 s ASP 25 Cb -0.15 -2.32 0.58 0.00 -1.46 0.00 0.00 42.92 39.57 2kl3 s ASP 25 CO 0.04 -1.04 1.49 1.33 0.52 0.00 0.00 175.17 177.51 2kl3 n VAL 26 N 5.68 0.82 0.23 1.11 0.24 -1.06 -2.27 118.33 123.08 2kl3 n VAL 26 Ca -0.06 -0.88 -0.09 0.00 -2.04 0.00 0.00 64.34 61.26 2kl3 n VAL 26 Cb 0.45 0.57 -0.05 0.00 -1.47 0.00 0.00 33.84 33.34 2kl3 n VAL 26 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2kl3 h ARG 27 N 4.11 -0.60 -1.05 7.34 3.08 -1.82 -2.34 114.38 123.11 2kl3 h ARG 27 Ca 0.00 0.04 0.30 0.00 0.07 0.00 0.00 59.98 60.39 2kl3 h ARG 27 Cb 0.93 0.14 -0.23 0.00 0.08 0.00 0.00 29.97 30.89 2kl3 h ARG 27 CO 0.00 -0.40 0.98 0.34 -1.07 0.00 0.00 179.97 179.82 2kl3 s ASP 28 N -4.02 -0.02 0.18 7.04 2.15 -1.26 -4.51 116.67 116.23 2kl3 s ASP 28 Ca -0.09 0.01 -0.11 0.00 0.43 0.00 0.00 52.55 52.78 2kl3 s ASP 28 Cb 0.01 0.02 0.10 0.00 -0.30 0.00 0.00 42.92 42.75 2kl3 s ASP 28 CO 0.27 -0.02 1.77 -0.09 -0.17 0.00 0.00 175.17 176.93 2kl3 h ARG 29 N 2.01 0.93 0.20 4.34 9.65 -1.93 0.15 114.38 129.73 2kl3 h ARG 29 Ca -0.04 -0.14 -0.28 0.00 -1.10 0.00 0.00 59.98 58.43 2kl3 h ARG 29 Cb 1.15 -0.17 0.03 0.00 -1.39 0.00 0.00 29.97 29.59 2kl3 h ARG 29 CO 0.20 0.74 -1.25 0.77 2.80 0.00 0.00 179.97 183.23 2kl3 h SER 30 N 0.89 0.67 -0.73 -3.80 0.02 -1.99 -2.78 113.55 105.82 2kl3 h SER 30 Ca 0.22 -0.93 0.04 0.00 -0.84 0.00 0.00 61.79 60.28 2kl3 h SER 30 Cb 0.12 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 2kl3 h SER 30 CO -0.03 1.60 0.48 0.74 -1.14 0.00 0.00 176.83 178.48 2kl3 h THR 31 N -0.08 1.09 -0.22 -2.27 2.02 -1.93 0.68 112.91 112.20 2kl3 h THR 31 Ca -0.22 -0.29 0.04 0.00 0.77 0.00 0.00 66.41 66.71 2kl3 h THR 31 Cb 1.95 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 68.47 2kl3 h THR 31 CO 0.21 0.16 -0.05 0.22 0.37 0.00 0.00 175.52 176.42 2kl3 h TYR 32 N 0.85 -0.11 -0.46 3.16 3.20 -0.69 -1.60 116.97 121.32 2kl3 h TYR 32 Ca 0.30 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.21 2kl3 h TYR 32 Cb 0.11 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 2kl3 h TYR 32 CO -0.00 -0.09 0.27 -0.91 -1.64 0.00 0.00 178.16 175.79 2kl3 h ASN 33 N 0.00 0.43 -0.22 -2.11 2.35 -0.89 -3.09 115.58 112.05 2kl3 h ASN 33 Ca 0.10 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.88 2kl3 h ASN 33 Cb 0.16 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 2kl3 h ASN 33 CO -0.22 0.31 0.09 0.44 -1.65 0.00 0.00 177.43 176.39 2kl3 h ASP 34 N 0.54 0.11 -2.86 5.81 3.32 -0.62 0.22 116.42 122.95 2kl3 h ASP 34 Ca 0.18 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.31 2kl3 h ASP 34 Cb 0.02 -0.00 -0.23 0.00 0.22 0.00 0.00 39.33 39.34 2kl3 h ASP 34 CO -0.09 0.10 0.17 -0.83 -1.72 0.00 0.00 179.24 176.87 2kl3 s GLY 35 N -2.48 -0.38 0.17 2.75 0.00 -0.63 -0.00 107.32 106.75 2kl3 s GLY 35 Ca -0.13 2.69 -0.15 0.00 0.00 0.00 0.00 44.72 47.13 2kl3 s GLY 35 CO 0.69 2.44 0.44 -2.38 0.00 0.00 0.00 173.10 174.29 2kl3 s HIS 36 N 1.45 -0.01 0.40 1.90 -3.43 0.76 -4.51 115.29 111.86 2kl3 s HIS 36 Ca -0.09 -0.34 -0.27 0.00 -0.80 0.00 0.00 55.06 53.56 2kl3 s HIS 36 Cb -0.04 0.25 -0.09 0.00 -1.43 0.00 0.00 32.58 31.27 2kl3 s HIS 36 CO -0.17 -0.82 1.36 0.42 -2.00 0.00 0.00 174.74 173.53 2kl3 s ILE 37 N -3.88 2.42 -0.03 -5.38 1.01 -1.26 -0.56 121.20 113.51 2kl3 s ILE 37 Ca 0.10 0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.85 2kl3 s ILE 37 Cb 0.01 -3.24 -0.08 0.00 0.01 0.00 0.00 42.46 39.16 2kl3 s ILE 37 CO -0.04 0.07 2.00 -0.32 0.00 0.00 0.00 174.94 176.65 2kl3 s MET 38 N -2.19 3.91 -0.26 2.79 -2.45 -0.54 -2.43 119.30 118.13 2kl3 s MET 38 Ca 0.56 2.44 0.00 0.00 -1.25 0.00 0.00 55.69 57.44 2kl3 s MET 38 Cb -0.41 -4.20 0.00 0.00 1.25 0.00 0.00 34.83 31.47 2kl3 s MET 38 CO 0.53 -1.22 0.00 0.41 1.05 0.00 0.00 175.02 175.79 2kl3 n GLY 39 N 4.80 0.30 3.97 2.11 0.00 -1.26 -5.01 105.19 110.11 2kl3 n GLY 39 Ca 0.22 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.14 2.95 -0.02 4.61 0.00 -1.02 -4.85 121.76 121.29 2kl3 s ALA 40 Ca 0.00 -1.56 -0.01 0.00 0.00 0.00 0.00 51.96 50.39 2kl3 s ALA 40 Cb 0.00 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 2kl3 s ALA 40 CO 0.00 -2.06 0.07 -1.64 0.00 0.00 0.00 175.76 172.13 2kl3 s MET 41 N -5.56 3.05 -0.77 0.00 -1.94 -0.04 -5.00 119.30 109.04 2kl3 s MET 41 Ca 0.72 -0.48 -0.18 0.00 -1.71 0.00 0.00 55.69 54.04 2kl3 s MET 41 Cb -0.03 -2.85 0.13 0.00 2.01 0.00 0.00 34.83 34.09 2kl3 s MET 41 CO 0.49 0.66 0.89 0.00 -0.01 0.00 0.00 175.02 177.05 2kl3 s ALA 42 N -1.15 3.50 -0.39 3.03 0.00 -1.26 -0.72 121.76 124.77 2kl3 s ALA 42 Ca 0.21 -2.61 0.01 0.00 0.00 0.00 0.00 51.96 49.58 2kl3 s ALA 42 Cb -0.12 -3.75 0.13 0.00 0.00 0.00 0.00 23.12 19.38 2kl3 s ALA 42 CO 0.12 -2.61 0.21 -1.64 0.00 0.00 0.00 175.76 171.84 2kl3 s MET 43 N 2.31 1.00 0.19 0.00 -1.94 -0.96 -4.96 119.30 114.93 2kl3 s MET 43 Ca 0.21 -1.67 -0.31 0.00 -1.71 0.00 0.00 55.69 52.22 2kl3 s MET 43 Cb -0.14 -2.01 -0.09 0.00 2.01 0.00 0.00 34.83 34.60 2kl3 s MET 43 CO -0.02 -1.14 1.42 -1.25 -0.01 0.00 0.00 175.02 174.01 2kl3 s PRO 44 N 0.76 4.30 0.53 2.03 0.04 -1.24 -3.55 135.00 137.87 2kl3 s PRO 44 Ca 0.16 2.19 0.40 0.00 0.04 0.00 0.00 61.00 63.80 2kl3 s PRO 44 Cb -0.23 -3.17 1.58 0.00 0.04 0.00 0.00 34.50 32.72 2kl3 s PRO 44 CO -0.04 -0.42 1.70 0.97 0.04 0.00 0.00 177.00 179.25 2kl3 h ILE 45 N 3.85 0.23 0.03 0.56 2.10 -1.65 0.75 117.51 123.39 2kl3 h ILE 45 Ca -0.44 -0.01 -0.26 0.00 1.08 0.00 0.00 64.86 65.23 2kl3 h ILE 45 Cb 1.21 0.20 0.02 0.00 -1.09 0.00 0.00 36.82 37.16 2kl3 h ILE 45 CO 0.82 0.01 -1.06 1.05 -1.08 0.00 0.00 178.15 177.89 2kl3 h GLU 46 N 0.03 0.56 -0.00 2.19 4.11 -1.89 -3.26 114.58 116.33 2kl3 h GLU 46 Ca 0.73 -0.65 0.00 0.00 0.07 0.00 0.00 59.36 59.51 2kl3 h GLU 46 Cb 2.82 0.19 0.00 0.00 0.50 0.00 0.00 28.75 32.26 2kl3 h GLU 46 CO -0.07 1.26 -0.55 -0.25 0.07 0.00 0.00 179.01 179.46 2kl3 n ASP 47 N -3.79 0.61 -0.25 3.06 8.00 0.21 -4.57 116.55 119.81 2kl3 n ASP 47 Ca -0.10 -0.40 -0.05 0.00 0.71 0.00 0.00 54.79 54.95 2kl3 n ASP 47 Cb 0.90 0.35 -0.00 0.00 -0.02 0.00 0.00 41.12 42.34 2kl3 n ASP 47 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2kl3 h LEU 48 N 0.08 -1.35 -0.09 0.64 5.85 -0.03 0.61 115.31 121.02 2kl3 h LEU 48 Ca 0.00 0.26 0.04 0.00 0.84 0.00 0.00 57.88 59.01 2kl3 h LEU 48 Cb 0.50 0.66 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 2kl3 h LEU 48 CO 0.00 -0.31 -0.19 0.58 -0.34 0.00 0.00 178.44 178.18 2kl3 h VAL 49 N -0.14 0.52 -0.19 1.05 2.07 -1.80 0.09 116.25 117.85 2kl3 h VAL 49 Ca 0.24 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.74 2kl3 h VAL 49 Cb 0.56 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2kl3 h VAL 49 CO -0.76 0.00 0.03 -0.78 0.02 0.00 0.00 177.57 176.08 2kl3 h ASP 50 N -0.26 0.31 -0.02 0.57 3.58 -1.71 -0.24 116.42 118.65 2kl3 h ASP 50 Ca 0.09 -0.26 0.03 0.00 0.42 0.00 0.00 57.03 57.31 2kl3 h ASP 50 Cb 0.39 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.30 2kl3 h ASP 50 CO -0.24 0.49 -0.35 0.03 -2.88 0.00 0.00 179.24 176.29 2kl3 h ARG 51 N 0.12 -0.47 -0.14 0.28 2.47 -0.65 -0.98 114.38 115.00 2kl3 h ARG 51 Ca 0.06 0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.78 2kl3 h ARG 51 Cb 0.31 0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.73 2kl3 h ARG 51 CO 0.00 -0.31 -0.02 0.00 0.56 0.00 0.00 179.97 180.20 2kl3 h ALA 52 N 0.20 0.19 -0.36 0.04 0.00 -0.98 -2.00 119.26 116.36 2kl3 h ALA 52 Ca 0.06 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.82 2kl3 h ALA 52 Cb 0.58 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2kl3 h ALA 52 CO -0.29 -0.08 0.25 1.03 0.00 0.00 0.00 179.25 180.16 2kl3 h SER 53 N -0.02 0.21 0.90 0.00 0.87 -0.95 0.64 113.55 115.20 2kl3 h SER 53 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2kl3 h SER 53 Cb 0.42 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2kl3 h SER 53 CO 0.01 0.14 -0.47 -0.24 -0.53 0.00 0.00 176.83 175.73 2kl3 n SER 54 N -4.48 0.64 0.07 6.23 2.88 -0.38 -4.69 113.62 113.89 2kl3 n SER 54 Ca 0.04 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 2kl3 n SER 54 Cb 0.26 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 2kl3 n SER 54 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2kl3 n SER 55 N -1.99 0.63 -4.86 -3.46 7.64 -0.41 -5.08 113.62 106.07 2kl3 n SER 55 Ca 0.04 0.22 -0.31 0.00 1.01 0.00 0.00 58.87 59.83 2kl3 n SER 55 Cb 0.41 -0.09 -0.03 0.00 -1.01 0.00 0.00 64.21 63.49 2kl3 n SER 55 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kl3 s LEU 56 N -6.82 3.72 0.12 -3.43 1.43 0.21 -5.05 118.68 108.86 2kl3 s LEU 56 Ca 0.00 1.30 -0.22 0.00 -1.03 0.00 0.00 54.13 54.18 2kl3 s LEU 56 Cb 0.00 -4.22 -0.07 0.00 0.03 0.00 0.00 46.19 41.93 2kl3 s LEU 56 CO 0.00 -0.50 0.66 -0.70 0.23 0.00 0.00 176.35 176.05 2kl3 s GLU 57 N -4.02 4.36 0.55 1.70 2.12 -1.26 -4.64 118.70 117.51 2kl3 s GLU 57 Ca 0.54 0.92 0.27 0.00 0.36 0.00 0.00 54.97 57.07 2kl3 s GLU 57 Cb -0.10 -3.24 1.60 0.00 0.26 0.00 0.00 34.13 32.65 2kl3 s GLU 57 CO 0.33 0.60 2.17 0.87 -0.54 0.00 0.00 175.26 178.69 2kl3 h LYS 58 N 4.41 0.00 -0.02 4.30 1.79 -1.94 -1.94 116.57 123.16 2kl3 h LYS 58 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 2kl3 h LYS 58 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2kl3 h LYS 58 CO 0.65 0.06 -0.19 -1.13 -1.08 0.00 0.00 179.45 177.75 2kl3 n SER 59 N -3.85 2.39 -4.70 0.86 3.41 -1.26 0.10 113.62 110.57 2kl3 n SER 59 Ca -0.03 -1.71 -0.42 0.00 -0.26 0.00 0.00 58.87 56.45 2kl3 n SER 59 Cb 0.15 0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 2kl3 n SER 59 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2kl3 s ARG 60 N -2.21 4.29 -0.49 4.33 6.06 -0.73 -4.69 118.95 125.51 2kl3 s ARG 60 Ca 0.25 2.06 -0.27 0.00 -2.50 0.00 0.00 55.73 55.27 2kl3 s ARG 60 Cb 0.19 -3.40 -0.03 0.00 0.06 0.00 0.00 34.95 31.78 2kl3 s ARG 60 CO 0.42 -0.52 1.97 -0.51 -2.50 0.00 0.00 175.30 174.17 2kl3 s ASP 61 N 1.51 5.28 -0.09 -2.12 1.01 -1.26 -4.41 116.67 116.59 2kl3 s ASP 61 Ca 0.65 0.83 -0.02 0.00 0.71 0.00 0.00 52.55 54.73 2kl3 s ASP 61 Cb -0.35 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.02 2kl3 s ASP 61 CO 0.29 -2.28 -0.00 -0.63 0.21 0.00 0.00 175.17 172.76 2kl3 s ILE 62 N 9.09 4.28 -0.19 0.77 1.01 0.07 -1.51 121.20 134.71 2kl3 s ILE 62 Ca 0.78 -0.26 -0.01 0.00 0.00 0.00 0.00 60.65 61.16 2kl3 s ILE 62 Cb -0.17 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.50 2kl3 s ILE 62 CO 0.26 0.61 -0.12 -0.31 0.00 0.00 0.00 174.94 175.38 2kl3 s TYR 63 N -0.87 2.86 -0.11 3.97 1.51 0.56 -0.32 117.35 124.94 2kl3 s TYR 63 Ca 0.13 -1.19 -0.02 0.00 -1.01 0.00 0.00 57.07 54.98 2kl3 s TYR 63 Cb -0.11 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.71 2kl3 s TYR 63 CO 0.02 -0.62 -0.02 0.08 -1.11 0.00 0.00 175.55 173.90 2kl3 s VAL 64 N 1.28 4.08 -0.03 0.71 1.01 -0.65 -0.56 120.40 126.25 2kl3 s VAL 64 Ca 0.03 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.70 2kl3 s VAL 64 Cb -0.14 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.52 2kl3 s VAL 64 CO -0.06 0.56 -0.01 -0.72 0.00 0.00 0.00 175.10 174.86 2kl3 s TYR 65 N -0.36 0.38 0.00 5.22 1.13 -0.93 -1.20 117.35 121.59 2kl3 s TYR 65 Ca 0.06 -0.04 0.00 0.00 -1.41 0.00 0.00 57.07 55.68 2kl3 s TYR 65 Cb -0.12 -0.42 0.00 0.00 -1.10 0.00 0.00 41.96 40.32 2kl3 s TYR 65 CO 0.02 -0.12 0.00 0.41 -2.51 0.00 0.00 175.55 173.35 2kl3 n GLY 66 N 3.97 3.51 0.12 5.49 0.00 -1.26 -2.57 105.19 114.45 2kl3 n GLY 66 Ca -0.25 -2.10 0.13 0.00 0.00 0.00 0.00 46.02 43.79 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 0.29 0.99 -2.84 4.61 0.00 -1.91 -3.30 119.26 117.09 2kl3 h ALA 67 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2kl3 h ALA 67 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.68 2kl3 h ALA 67 CO 0.00 0.00 0.01 0.20 0.00 0.00 0.00 179.25 179.46 2kl3 s GLY 68 N -3.66 -0.21 0.22 0.00 0.00 -1.26 -4.89 107.32 97.52 2kl3 s GLY 68 Ca 0.10 -0.08 -0.11 0.00 0.00 0.00 0.00 44.72 44.63 2kl3 s GLY 68 CO 0.61 -0.24 1.65 -0.55 0.00 0.00 0.00 173.10 174.56 2kl3 h ASP 69 N 2.24 -0.39 -0.16 1.64 5.19 -1.92 -1.07 116.42 121.95 2kl3 h ASP 69 Ca -0.31 0.17 -0.00 0.00 -0.62 0.00 0.00 57.03 56.26 2kl3 h ASP 69 Cb 1.27 0.32 -0.01 0.00 0.18 0.00 0.00 39.33 41.09 2kl3 h ASP 69 CO 0.41 -0.16 0.08 -0.08 -3.12 0.00 0.00 179.24 176.38 2kl3 h GLU 70 N 0.07 0.23 -0.55 3.56 4.81 -1.98 0.59 114.58 121.31 2kl3 h GLU 70 Ca 0.33 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.56 2kl3 h GLU 70 Cb 0.54 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 2kl3 h GLU 70 CO -0.59 0.26 0.33 0.37 -0.73 0.00 0.00 179.01 178.64 2kl3 h GLN 71 N 0.15 0.63 0.19 1.92 4.15 -1.82 -0.20 115.11 120.13 2kl3 h GLN 71 Ca 0.06 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.45 2kl3 h GLN 71 Cb 0.10 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 2kl3 h GLN 71 CO -0.01 0.42 -0.23 1.15 -1.93 0.00 0.00 178.83 178.23 2kl3 h THR 72 N 0.65 0.50 -0.26 2.39 2.02 -0.98 -1.42 112.91 115.82 2kl3 h THR 72 Ca 0.22 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.45 2kl3 h THR 72 Cb 0.03 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 2kl3 h THR 72 CO -0.10 0.00 0.00 -1.28 0.37 0.00 0.00 175.52 174.51 2kl3 h SER 73 N -0.47 -0.10 -0.45 4.18 0.87 -0.52 -0.85 113.55 116.21 2kl3 h SER 73 Ca 0.01 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.56 2kl3 h SER 73 Cb 0.45 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 2kl3 h SER 73 CO -0.08 -0.02 0.05 -0.61 -0.53 0.00 0.00 176.83 175.64 2kl3 h GLN 74 N 0.08 0.77 -0.06 2.24 4.15 -1.01 -1.64 115.11 119.63 2kl3 h GLN 74 Ca 0.12 -0.22 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 2kl3 h GLN 74 Cb 0.16 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.76 2kl3 h GLN 74 CO -0.20 0.80 0.03 0.00 -1.93 0.00 0.00 178.83 177.53 2kl3 h ALA 75 N 0.93 0.07 -0.84 3.38 0.00 -1.04 -1.52 119.26 120.25 2kl3 h ALA 75 Ca 0.13 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.14 2kl3 h ALA 75 Cb 0.42 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 2kl3 h ALA 75 CO 0.01 -0.40 0.55 0.28 0.00 0.00 0.00 179.25 179.69 2kl3 h VAL 76 N 0.03 0.87 -0.25 0.00 2.07 -1.06 -1.40 116.25 116.52 2kl3 h VAL 76 Ca 0.02 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2kl3 h VAL 76 Cb 0.04 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 2kl3 h VAL 76 CO -0.00 0.12 0.09 -1.13 0.02 0.00 0.00 177.57 176.67 2kl3 h ASN 77 N 0.68 0.36 -0.94 0.57 -1.24 -0.78 -2.32 115.58 111.91 2kl3 h ASN 77 Ca 0.41 -0.19 0.06 0.00 0.71 0.00 0.00 56.30 57.29 2kl3 h ASN 77 Cb 0.63 -0.09 -0.06 0.00 0.73 0.00 0.00 38.32 39.53 2kl3 h ASN 77 CO -0.17 0.45 0.60 -0.07 -1.29 0.00 0.00 177.43 176.94 2kl3 h LEU 78 N 0.25 0.96 0.21 0.34 3.38 -0.27 0.24 115.31 120.42 2kl3 h LEU 78 Ca 0.08 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2kl3 h LEU 78 Cb 0.21 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2kl3 h LEU 78 CO -0.00 0.63 -0.10 -0.07 0.09 0.00 0.00 178.44 178.98 2kl3 h LEU 79 N 1.10 -0.24 -1.57 1.67 3.38 -1.26 -0.38 115.31 118.02 2kl3 h LEU 79 Ca 0.40 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 2kl3 h LEU 79 Cb 0.13 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2kl3 h LEU 79 CO -0.16 0.05 0.03 0.08 0.09 0.00 0.00 178.44 178.53 2kl3 h ARG 80 N -0.55 0.30 0.00 1.13 0.11 -1.15 0.81 114.38 115.04 2kl3 h ARG 80 Ca -0.03 -0.04 -0.07 0.00 0.10 0.00 0.00 59.98 59.94 2kl3 h ARG 80 Cb 0.41 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.42 2kl3 h ARG 80 CO 0.05 0.30 -0.33 1.03 0.10 0.00 0.00 179.97 181.12 2kl3 h SER 81 N 0.30 0.00 -0.05 0.08 0.87 -0.43 -2.11 113.55 112.21 2kl3 h SER 81 Ca 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2kl3 h SER 81 Cb 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2kl3 h SER 81 CO -0.00 0.33 0.00 0.00 -0.53 0.00 0.00 176.83 176.63 2kl3 n ALA 82 N -2.36 2.59 0.00 6.23 0.00 0.20 -4.90 120.51 122.27 2kl3 n ALA 82 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2kl3 n ALA 82 Cb 0.42 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.95 2.75 3.60 0.00 0.00 -0.79 -4.97 105.19 106.72 2kl3 n GLY 83 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.41 1.16 0.08 1.61 0.08 -0.69 -4.84 117.98 112.97 2kl3 s PHE 84 Ca 0.00 0.47 -0.14 0.00 0.12 0.00 0.00 56.93 57.38 2kl3 s PHE 84 Cb 0.00 -3.95 -0.20 0.00 -0.57 0.00 0.00 43.02 38.31 2kl3 s PHE 84 CO 0.00 -4.20 1.23 0.93 -0.10 0.00 0.00 175.22 173.08 2kl3 h GLU 85 N 14.82 0.71 -3.64 0.44 5.08 -0.66 -3.32 114.58 128.01 2kl3 h GLU 85 Ca -0.42 -0.66 -0.77 0.00 -1.00 0.00 0.00 59.36 56.51 2kl3 h GLU 85 Cb 1.24 0.17 -0.29 0.00 0.50 0.00 0.00 28.75 30.36 2kl3 h GLU 85 CO 0.96 1.26 0.10 -1.01 -1.00 0.00 0.00 179.01 179.32 2kl3 s HIS 86 N -3.52 3.87 -0.06 4.33 3.76 -1.07 -4.99 115.29 117.61 2kl3 s HIS 86 Ca -0.11 -2.46 -0.02 0.00 -0.15 0.00 0.00 55.06 52.33 2kl3 s HIS 86 Cb 0.07 -3.65 0.03 0.00 1.11 0.00 0.00 32.58 30.15 2kl3 s HIS 86 CO 0.90 -0.92 0.04 0.08 -0.85 0.00 0.00 174.74 173.99 2kl3 s VAL 87 N -0.50 0.06 0.11 -0.90 1.01 -1.26 -0.75 120.40 118.16 2kl3 s VAL 87 Ca 0.23 0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.53 2kl3 s VAL 87 Cb -0.11 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 2kl3 s VAL 87 CO -0.08 0.17 0.00 -0.55 0.00 0.00 0.00 175.10 174.64 2kl3 s SER 88 N 2.10 5.00 -0.33 3.32 0.15 0.56 -4.97 113.70 119.53 2kl3 s SER 88 Ca 0.05 -0.21 -0.18 0.00 0.70 0.00 0.00 55.95 56.31 2kl3 s SER 88 Cb -0.12 -1.18 -0.01 0.00 -1.71 0.00 0.00 66.02 63.00 2kl3 s SER 88 CO -0.04 0.16 0.51 -1.61 1.20 0.00 0.00 173.24 173.45 2kl3 s GLU 89 N -2.44 3.70 -0.24 5.44 2.02 0.49 -1.64 118.70 126.02 2kl3 s GLU 89 Ca 0.26 -0.08 -0.29 0.00 0.02 0.00 0.00 54.97 54.88 2kl3 s GLU 89 Cb -0.11 -3.78 0.01 0.00 0.10 0.00 0.00 34.13 30.35 2kl3 s GLU 89 CO 0.19 -0.59 1.03 -1.17 0.02 0.00 0.00 175.26 174.74 2kl3 s LEU 90 N 2.38 4.08 0.31 1.80 2.96 -0.34 -0.14 118.68 129.72 2kl3 s LEU 90 Ca 0.19 1.32 -0.29 0.00 -0.22 0.00 0.00 54.13 55.13 2kl3 s LEU 90 Cb -0.15 -3.52 -0.11 0.00 0.50 0.00 0.00 46.19 42.91 2kl3 s LEU 90 CO 0.13 -0.69 1.49 -0.54 -1.32 0.00 0.00 176.35 175.42 2kl3 s LYS 91 N 3.24 4.19 0.00 1.98 1.02 0.07 -3.83 119.74 126.41 2kl3 s LYS 91 Ca 0.44 2.46 0.00 0.00 0.02 0.00 0.00 55.97 58.88 2kl3 s LYS 91 Cb -0.15 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 2kl3 s LYS 91 CO 0.07 -0.50 0.00 0.41 -0.92 0.00 0.00 175.35 174.42 2kl3 n GLY 92 N 1.59 1.32 0.00 -3.33 0.00 -1.26 -4.14 105.19 99.37 2kl3 n GLY 92 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.29 0.06 -0.02 0.00 -1.25 -4.23 105.19 100.03 2kl3 n GLY 93 Ca 0.00 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.05 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 0.04 -1.51 0.99 5.85 -1.91 -2.18 115.31 116.59 2kl3 h LEU 94 Ca 0.00 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.50 2kl3 h LEU 94 Cb 0.00 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2kl3 h LEU 94 CO 0.00 0.30 0.38 0.00 -0.34 0.00 0.00 178.44 178.78 2kl3 h ALA 95 N 0.75 1.75 -0.03 1.25 0.00 -1.90 0.11 119.26 121.20 2kl3 h ALA 95 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kl3 h ALA 95 Cb 0.28 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2kl3 h ALA 95 CO 0.00 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.42 2kl3 h ALA 96 N 1.68 0.03 -0.87 0.00 0.00 -1.82 0.21 119.26 118.49 2kl3 h ALA 96 Ca 0.24 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.13 2kl3 h ALA 96 Cb 0.16 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 2kl3 h ALA 96 CO -0.07 -0.31 0.56 2.35 0.00 0.00 0.00 179.25 181.79 2kl3 h TRP 97 N -0.25 0.78 0.07 0.00 2.91 -0.60 -1.33 115.95 117.53 2kl3 h TRP 97 Ca 0.01 0.02 -0.24 0.00 1.13 0.00 0.00 58.89 59.81 2kl3 h TRP 97 Cb 0.31 -0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 28.71 2kl3 h TRP 97 CO 0.03 0.29 -1.09 0.87 -1.03 0.00 0.00 178.44 177.51 2kl3 h LYS 98 N 0.66 0.23 0.00 2.65 1.57 -0.67 -0.95 116.57 120.06 2kl3 h LYS 98 Ca 0.44 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2kl3 h LYS 98 Cb 0.72 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 2kl3 h LYS 98 CO -0.19 1.12 -0.09 0.00 -0.57 0.00 0.00 179.45 179.71 2kl3 h ALA 99 N 0.74 1.75 -0.44 3.86 0.00 0.56 0.06 119.26 125.80 2kl3 h ALA 99 Ca -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2kl3 h ALA 99 Cb 1.80 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2kl3 h ALA 99 CO 0.17 0.12 0.00 0.44 0.00 0.00 0.00 179.25 179.98 2kl3 n ILE 100 N -4.29 0.68 -3.38 0.00 -5.35 -0.92 -4.94 119.36 101.16 2kl3 n ILE 100 Ca -0.03 -0.61 -0.18 0.00 -0.27 0.00 0.00 62.75 61.66 2kl3 n ILE 100 Cb 0.17 0.25 0.08 0.00 -1.74 0.00 0.00 39.64 38.40 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 1.15 -0.33 3.91 3.28 0.00 0.01 -5.02 105.19 108.18 2kl3 n GLY 101 Ca 0.15 0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.75 1.63 -0.23 -0.02 0.00 -0.36 -5.01 107.32 99.58 2kl3 s GLY 102 Ca 0.26 -0.71 -0.29 0.00 0.00 0.00 0.00 44.72 43.98 2kl3 s GLY 102 CO 0.65 -0.29 1.53 2.56 0.00 0.00 0.00 173.10 177.56 2kl3 s PRO 103 N -5.36 3.86 0.09 2.90 0.04 -1.26 -4.83 135.00 130.44 2kl3 s PRO 103 Ca 0.60 1.60 0.06 0.00 0.04 0.00 0.00 61.00 63.30 2kl3 s PRO 103 Cb -0.11 -3.99 -0.03 0.00 0.04 0.00 0.00 34.50 30.41 2kl3 s PRO 103 CO 0.47 -1.21 -0.15 0.95 0.04 0.00 0.00 177.00 177.11 2kl3 s THR 104 N 4.88 1.24 0.40 1.26 -4.23 -1.26 -1.46 115.64 116.47 2kl3 s THR 104 Ca 0.67 -1.48 0.04 0.00 -1.18 0.00 0.00 61.69 59.74 2kl3 s THR 104 Cb -0.23 -1.29 -0.04 0.00 1.34 0.00 0.00 72.50 72.27 2kl3 s THR 104 CO 0.27 -0.29 0.07 -1.61 -0.54 0.00 0.00 174.62 172.52 2kl3 s GLU 105 N -2.12 1.89 0.00 3.99 2.02 0.27 -4.78 118.70 119.98 2kl3 s GLU 105 Ca 0.03 -2.12 0.00 0.00 0.02 0.00 0.00 54.97 52.90 2kl3 s GLU 105 Cb -0.08 -1.01 0.00 0.00 0.10 0.00 0.00 34.13 33.15 2kl3 s GLU 105 CO 0.03 -0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.41 2kl3 n GLY 106 N -0.91 3.92 0.16 -1.39 0.00 -1.26 -0.17 105.19 105.55 2kl3 n GLY 106 Ca -0.07 -1.18 -0.16 0.00 0.00 0.00 0.00 46.02 44.61 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 1.63 1.37 -0.11 -0.61 2.04 0.26 -1.92 117.51 120.17 2kl3 h ILE 107 Ca 0.00 -1.80 -0.14 0.00 1.00 0.00 0.00 64.86 63.92 2kl3 h ILE 107 Cb 0.00 2.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 2kl3 h ILE 107 CO 0.00 0.54 -0.53 0.16 0.00 0.00 0.00 178.15 178.32 2kl3 h ILE 108 N 0.09 1.35 0.00 -0.67 -0.00 -0.66 -2.81 117.51 114.80 2kl3 h ILE 108 Ca -0.03 -1.81 0.00 0.00 -0.00 0.00 0.00 64.86 63.02 2kl3 h ILE 108 Cb 1.12 1.85 0.00 0.00 -0.00 0.00 0.00 36.82 39.78 2kl3 h ILE 108 CO 0.10 0.54 0.00 -0.62 -0.00 0.00 0.00 178.15 178.17 2kl3 n GLU 109 N -3.94 0.22 -0.09 0.16 -0.58 -1.16 -2.84 120.64 112.42 2kl3 n GLU 109 Ca -0.02 0.13 -0.08 0.00 -0.42 0.00 0.00 57.16 56.77 2kl3 n GLU 109 Cb 0.57 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 30.02 2kl3 n GLU 109 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2kl3 h SER 110 N 0.00 0.80 -4.99 1.62 0.87 -1.07 -3.45 113.55 107.33 2kl3 h SER 110 Ca 0.00 -0.30 -0.05 0.00 -1.23 0.00 0.00 61.79 60.21 2kl3 h SER 110 Cb 0.17 -0.22 -0.18 0.00 -0.44 0.00 0.00 62.40 61.72 2kl3 h SER 110 CO 0.00 1.01 0.20 0.00 -0.53 0.00 0.00 176.83 177.51 2kl3 s ARG 111 N -4.58 1.08 0.37 2.24 3.03 -1.13 -5.12 118.95 114.84 2kl3 s ARG 111 Ca -0.09 0.16 0.08 0.00 2.03 0.00 0.00 55.73 57.91 2kl3 s ARG 111 Cb 0.13 0.51 -0.07 0.00 -1.03 0.00 0.00 34.95 34.49 2kl3 s ARG 111 CO 0.84 -0.36 -0.04 0.95 -1.13 0.00 0.00 175.30 175.56 2kl3 s THR 112 N -1.52 2.05 0.00 4.99 -4.23 -1.26 -4.91 115.64 110.75 2kl3 s THR 112 Ca -0.09 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.32 2kl3 s THR 112 Cb -0.00 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 71.04 2kl3 s THR 112 CO 0.07 -0.11 0.00 -2.65 -0.54 0.00 0.00 174.62 171.39 2kl3 n PRO 113 N -0.86 0.00 0.00 3.99 -0.02 -1.26 -5.14 135.00 131.71 2kl3 n PRO 113 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2kl3 n PRO 113 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.13 2kl3 n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kl3 n ALA 114 N -3.00 0.00 0.00 3.55 0.00 -1.26 -5.18 120.51 114.62 2kl3 n ALA 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kl3 n ALA 114 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.18 1.24 3.12 0.00 0.00 -1.26 -5.18 105.19 102.92 2kl3 n GLY 115 Ca 0.00 0.47 -0.12 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 -0.41 0.10 4.61 0.00 -1.26 -5.18 121.76 119.63 2kl3 s ALA 116 Ca 0.00 0.03 -0.20 0.00 0.00 0.00 0.00 51.96 51.80 2kl3 s ALA 116 Cb 0.00 0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.20 2kl3 s ALA 116 CO 0.00 -0.20 0.48 0.34 0.00 0.00 0.00 175.76 176.38 2kl3 s ASP 117 N -1.13 -0.37 -0.01 0.00 2.15 -1.26 -5.18 116.67 110.87 2kl3 s ASP 117 Ca -0.12 -0.07 0.03 0.00 0.43 0.00 0.00 52.55 52.83 2kl3 s ASP 117 Cb -0.06 0.50 -0.01 0.00 -0.30 0.00 0.00 42.92 43.05 2kl3 s ASP 117 CO 0.02 -0.81 -0.11 -1.81 -0.17 0.00 0.00 175.17 172.28 2kl3 s ASP 118 N -2.44 1.29 -0.14 -0.34 1.01 -1.26 -5.14 116.67 109.65 2kl3 s ASP 118 Ca -0.01 -0.20 -0.20 0.00 0.71 0.00 0.00 52.55 52.85 2kl3 s ASP 118 Cb 0.00 -0.15 -0.04 0.00 1.01 0.00 0.00 42.92 43.75 2kl3 s ASP 118 CO -0.08 0.13 0.57 -0.47 0.21 0.00 0.00 175.17 175.53 2kl3 s TYR 119 N -0.25 3.48 -0.88 4.23 5.04 -1.26 -5.00 117.35 122.71 2kl3 s TYR 119 Ca 0.04 0.96 -0.25 0.00 -2.44 0.00 0.00 57.07 55.39 2kl3 s TYR 119 Cb -0.04 -2.68 -0.05 0.00 0.35 0.00 0.00 41.96 39.54 2kl3 s TYR 119 CO -0.00 0.03 1.94 -0.80 -1.34 0.00 0.00 175.55 175.38 2kl3 s ASN 120 N 0.87 5.16 -1.23 4.32 -0.87 -1.26 -4.89 114.94 117.04 2kl3 s ASN 120 Ca 0.29 -0.60 -0.18 0.00 -1.57 0.00 0.00 52.86 50.79 2kl3 s ASN 120 Cb -0.16 -2.56 -0.01 0.00 -0.02 0.00 0.00 41.25 38.50 2kl3 s ASN 120 CO 0.12 -2.71 1.95 1.33 -2.57 0.00 0.00 177.10 175.22 2kl3 n VAL 121 N 7.83 3.02 -3.97 1.60 0.24 -1.26 -4.88 118.33 120.90 2kl3 n VAL 121 Ca 0.39 -2.92 -0.31 0.00 -2.04 0.00 0.00 64.34 59.46 2kl3 n VAL 121 Cb 0.47 -2.38 -0.15 0.00 -1.47 0.00 0.00 33.84 30.31 2kl3 n VAL 121 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2kl3 s VAL 122 N 5.39 1.88 -0.30 3.34 1.01 -1.26 -5.04 120.40 125.42 2kl3 s VAL 122 Ca 0.55 -1.78 -0.12 0.00 0.00 0.00 0.00 61.98 60.63 2kl3 s VAL 122 Cb 0.08 -2.24 0.18 0.00 0.00 0.00 0.00 36.38 34.40 2kl3 s VAL 122 CO 0.05 -0.36 1.05 -0.55 0.00 0.00 0.00 175.10 175.29 2kl3 s SER 123 N 1.17 -0.43 -0.30 3.32 0.15 -1.26 -5.16 113.70 111.19 2kl3 s SER 123 Ca 0.02 0.13 -0.05 0.00 0.70 0.00 0.00 55.95 56.76 2kl3 s SER 123 Cb -0.19 1.30 0.17 0.00 -1.71 0.00 0.00 66.02 65.60 2kl3 s SER 123 CO -0.09 -0.08 0.64 -0.60 1.20 0.00 0.00 173.24 174.31 2kl3 s ARG 124 N 2.96 0.55 0.09 5.44 3.00 -1.26 -5.17 118.95 124.55 2kl3 s ARG 124 Ca 0.15 1.11 -0.18 0.00 -1.00 0.00 0.00 55.73 55.81 2kl3 s ARG 124 Cb -0.05 0.64 0.04 0.00 0.00 0.00 0.00 34.95 35.57 2kl3 s ARG 124 CO -0.18 -0.46 0.43 -0.48 0.00 0.00 0.00 175.30 174.61 2kl3 s LEU 125 N 2.86 0.30 -0.00 -0.88 0.05 -1.26 -5.19 118.68 114.57 2kl3 s LEU 125 Ca 0.11 -0.14 -0.10 0.00 0.05 0.00 0.00 54.13 54.06 2kl3 s LEU 125 Cb -0.14 1.87 0.01 0.00 -2.05 0.00 0.00 46.19 45.88 2kl3 s LEU 125 CO -0.20 -0.78 0.19 -0.70 -0.55 0.00 0.00 176.35 174.32 2kl3 s GLU 126 N -3.19 0.55 -0.50 1.48 2.12 -1.26 -5.12 118.70 112.78 2kl3 s GLU 126 Ca -0.01 -0.34 0.03 0.00 0.36 0.00 0.00 54.97 55.02 2kl3 s GLU 126 Cb 0.01 0.23 0.16 0.00 0.26 0.00 0.00 34.13 34.79 2kl3 s GLU 126 CO -0.08 -0.14 0.35 -1.01 -0.54 0.00 0.00 175.26 173.84 2kl3 s HIS 127 N -1.38 1.99 -0.15 5.30 3.76 -1.26 -5.09 115.29 118.46 2kl3 s HIS 127 Ca -0.14 -2.59 0.00 0.00 -0.15 0.00 0.00 55.06 52.18 2kl3 s HIS 127 Cb -0.07 -1.67 0.02 0.00 1.11 0.00 0.00 32.58 31.97 2kl3 s HIS 127 CO 0.02 -0.74 -0.15 -1.01 -0.85 0.00 0.00 174.74 172.02 2kl3 s HIS 128 N -0.21 2.23 -0.28 1.40 3.76 -1.26 -5.09 115.29 115.85 2kl3 s HIS 128 Ca 0.26 -1.26 0.01 0.00 -0.15 0.00 0.00 55.06 53.91 2kl3 s HIS 128 Cb -0.08 -1.63 0.16 0.00 1.11 0.00 0.00 32.58 32.14 2kl3 s HIS 128 CO -0.12 -0.68 0.45 -1.58 -0.85 0.00 0.00 174.74 171.95 2kl3 s HIS 129 N 1.45 -1.14 -0.02 1.40 2.46 -1.26 -5.02 115.29 113.17 2kl3 s HIS 129 Ca 0.05 0.74 0.04 0.00 0.47 0.00 0.00 55.06 56.36 2kl3 s HIS 129 Cb -0.13 0.05 0.05 0.00 -0.13 0.00 0.00 32.58 32.42 2kl3 s HIS 129 CO -0.11 -0.91 0.92 1.58 -2.47 0.00 0.00 174.74 173.76 2kl3 n HIS 130 N 5.37 0.00 -1.79 3.88 -0.00 -1.26 -5.04 115.22 116.39 2kl3 n HIS 130 Ca -0.00 -0.45 -0.42 0.00 -0.00 0.00 0.00 57.72 56.84 2kl3 n HIS 130 Cb 0.50 -0.06 -0.03 0.00 -0.00 0.00 0.00 29.99 30.41 2kl3 n HIS 130 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kl3 s HIS 131 N -1.07 1.51 -2.00 1.57 5.04 -1.26 -5.40 115.29 113.68 2kl3 s HIS 131 Ca 0.06 0.05 0.06 0.00 -1.54 0.00 0.00 55.06 53.69 2kl3 s HIS 131 Cb 0.05 -4.08 0.36 0.00 0.04 0.00 0.00 32.58 28.96 2kl3 s HIS 131 CO 0.01 -4.49 0.82 -2.39 -2.34 0.00 0.00 174.74 166.35