#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 3.55 0.34 2.12 -1.05 -1.26 -5.00 118.70 117.40 2kl3 s GLU 2 Ca 0.00 0.03 0.05 0.00 -0.15 0.00 0.00 54.97 54.90 2kl3 s GLU 2 Cb 0.00 -2.49 0.69 0.00 -0.44 0.00 0.00 34.13 31.88 2kl3 s GLU 2 CO 0.00 -0.04 1.91 -1.00 0.95 0.00 0.00 175.26 177.07 2kl3 h PRO 3 N 0.60 0.81 -4.18 -4.83 0.13 -1.96 -3.37 132.00 119.19 2kl3 h PRO 3 Ca -0.48 -0.05 -0.63 0.00 -0.87 0.00 0.00 66.00 63.97 2kl3 h PRO 3 Cb 1.21 -0.18 -0.40 0.00 0.13 0.00 0.00 31.00 31.75 2kl3 h PRO 3 CO 0.62 0.54 -0.73 -0.65 -0.23 0.00 0.00 178.00 177.55 2kl3 s GLN 4 N -5.77 1.22 0.32 0.86 -0.21 -1.26 -2.20 119.66 112.62 2kl3 s GLN 4 Ca -0.10 -1.62 -0.29 0.00 0.02 0.00 0.00 55.36 53.36 2kl3 s GLN 4 Cb 0.20 -2.75 -0.10 0.00 1.00 0.00 0.00 33.01 31.36 2kl3 s GLN 4 CO 0.79 -0.97 1.40 -1.54 -2.12 0.00 0.00 175.29 172.85 2kl3 s SER 5 N 1.10 6.61 0.37 5.90 1.04 0.65 -4.76 113.70 124.60 2kl3 s SER 5 Ca 0.11 2.80 -0.22 0.00 0.48 0.00 0.00 55.95 59.12 2kl3 s SER 5 Cb -0.19 -2.65 -0.10 0.00 0.10 0.00 0.00 66.02 63.18 2kl3 s SER 5 CO -0.14 -0.68 0.91 -0.62 0.98 0.00 0.00 173.24 173.69 2kl3 s ASP 6 N -0.16 7.07 0.07 7.02 -1.08 -1.26 -0.87 116.67 127.46 2kl3 s ASP 6 Ca 0.53 1.68 -0.26 0.00 -0.52 0.00 0.00 52.55 53.98 2kl3 s ASP 6 Cb -0.42 -2.53 -0.16 0.00 -1.46 0.00 0.00 42.92 38.34 2kl3 s ASP 6 CO 0.54 -0.22 1.63 0.00 0.52 0.00 0.00 175.17 177.64 2kl3 h ALA 7 N 2.48 -0.24 0.00 3.66 0.00 -1.94 -1.99 119.26 121.23 2kl3 h ALA 7 Ca -0.48 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 2kl3 h ALA 7 Cb 1.18 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2kl3 h ALA 7 CO 0.63 -0.60 -0.36 1.12 0.00 0.00 0.00 179.25 180.04 2kl3 h HIS 8 N -0.31 0.00 -0.53 0.00 2.07 -1.95 -0.14 115.15 114.29 2kl3 h HIS 8 Ca -0.02 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.48 2kl3 h HIS 8 Cb 0.24 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.20 2kl3 h HIS 8 CO -0.04 0.36 0.28 0.28 -3.07 0.00 0.00 177.93 175.74 2kl3 h VAL 9 N 0.00 1.18 -0.23 6.12 2.07 -1.93 0.19 116.25 123.65 2kl3 h VAL 9 Ca -0.00 -0.47 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 2kl3 h VAL 9 Cb 0.98 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2kl3 h VAL 9 CO 0.05 0.19 -0.14 0.25 0.02 0.00 0.00 177.57 177.94 2kl3 h LEU 10 N 0.70 0.52 -0.59 2.57 5.85 -1.10 -2.57 115.31 120.69 2kl3 h LEU 10 Ca 0.18 -0.43 0.06 0.00 0.84 0.00 0.00 57.88 58.53 2kl3 h LEU 10 Cb 0.06 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 2kl3 h LEU 10 CO -0.03 0.84 0.31 0.50 -0.34 0.00 0.00 178.44 179.71 2kl3 h LYS 11 N 0.21 0.56 -0.52 1.25 3.64 -0.90 -1.30 116.57 119.50 2kl3 h LYS 11 Ca 0.05 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 2kl3 h LYS 11 Cb 0.65 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2kl3 h LYS 11 CO 0.04 0.37 -0.01 0.66 -2.27 0.00 0.00 179.45 178.24 2kl3 h SER 12 N 0.58 0.85 -0.10 4.20 4.64 -0.65 -1.92 113.55 121.15 2kl3 h SER 12 Ca 0.27 -0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 61.32 2kl3 h SER 12 Cb 0.18 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 2kl3 h SER 12 CO -0.18 0.92 -0.06 0.03 -0.87 0.00 0.00 176.83 176.66 2kl3 h ARG 13 N 0.81 0.36 0.24 4.77 3.08 -1.00 0.71 114.38 123.36 2kl3 h ARG 13 Ca 0.15 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2kl3 h ARG 13 Cb 0.49 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2kl3 h ARG 13 CO 0.02 0.45 -0.12 1.25 -1.07 0.00 0.00 179.97 180.50 2kl3 h LEU 14 N 0.35 -0.27 0.00 3.04 6.46 -0.59 -2.06 115.31 122.23 2kl3 h LEU 14 Ca 0.07 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 2kl3 h LEU 14 Cb 0.34 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.34 2kl3 h LEU 14 CO 0.02 0.13 -0.71 -0.33 -0.62 0.00 0.00 178.44 176.93 2kl3 h GLU 15 N -0.74 0.00 0.00 1.25 5.08 -1.33 -3.42 114.58 115.42 2kl3 h GLU 15 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2kl3 h GLU 15 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2kl3 h GLU 15 CO 0.05 0.00 -0.64 0.91 -1.00 0.00 0.00 179.01 178.33 2kl3 n TRP 16 N -2.65 0.00 -0.67 4.33 7.02 0.22 -5.08 117.44 120.61 2kl3 n TRP 16 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 2kl3 n TRP 16 Cb 0.52 0.10 0.00 0.00 -2.42 0.00 0.00 31.31 29.51 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 2.60 -1.75 3.86 6.99 0.00 0.49 -4.94 105.19 112.45 2kl3 n GLY 17 Ca 0.00 -1.56 -0.36 0.00 0.00 0.00 0.00 46.02 44.10 2kl3 n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kl3 s GLU 18 N -2.70 3.69 -0.43 1.61 8.01 -1.24 -4.71 118.70 122.93 2kl3 s GLU 18 Ca 0.00 0.11 -0.07 0.00 0.01 0.00 0.00 54.97 55.02 2kl3 s GLU 18 Cb 0.00 -3.14 -0.22 0.00 -4.31 0.00 0.00 34.13 26.46 2kl3 s GLU 18 CO 0.00 0.69 3.42 -0.35 0.01 0.00 0.00 175.26 179.02 2kl3 n PRO 19 N 1.55 2.42 -0.24 0.39 -0.04 -1.26 -4.38 135.00 133.43 2kl3 n PRO 19 Ca -0.14 -1.30 0.08 0.00 -0.04 0.00 0.00 63.50 62.10 2kl3 n PRO 19 Cb 0.53 -2.20 0.22 0.00 -0.04 0.00 0.00 33.50 32.01 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 2.80 2.42 -2.65 0.55 0.00 -1.26 -4.93 120.51 117.45 2kl3 n ALA 20 Ca 0.52 -0.85 -0.24 0.00 0.00 0.00 0.00 53.44 52.87 2kl3 n ALA 20 Cb 0.73 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.36 2.73 -0.18 0.00 -0.12 -1.26 -4.32 117.98 113.47 2kl3 s PHE 21 Ca 0.33 -0.21 -0.00 0.00 -0.05 0.00 0.00 56.93 57.00 2kl3 s PHE 21 Cb 0.17 -1.24 0.04 0.00 -0.63 0.00 0.00 43.02 41.37 2kl3 s PHE 21 CO 0.23 0.59 -0.06 0.99 -0.05 0.00 0.00 175.22 176.92 2kl3 s THR 22 N -2.16 1.25 -0.15 -4.49 2.01 0.33 -4.98 115.64 107.43 2kl3 s THR 22 Ca 0.30 -0.75 -0.21 0.00 0.31 0.00 0.00 61.69 61.34 2kl3 s THR 22 Cb -0.07 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 2kl3 s THR 22 CO 0.19 0.12 0.64 -0.63 -0.69 0.00 0.00 174.62 174.25 2kl3 s ILE 23 N 1.57 5.04 -0.15 1.82 1.01 -1.26 -0.23 121.20 128.99 2kl3 s ILE 23 Ca -0.00 1.25 -0.00 0.00 0.00 0.00 0.00 60.65 61.90 2kl3 s ILE 23 Cb -0.16 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 2kl3 s ILE 23 CO -0.08 0.17 -0.13 -0.76 0.00 0.00 0.00 174.94 174.14 2kl3 s LEU 24 N 1.49 2.64 -0.39 2.97 1.43 -0.31 -1.44 118.68 125.06 2kl3 s LEU 24 Ca 0.31 -0.40 -0.21 0.00 -1.03 0.00 0.00 54.13 52.81 2kl3 s LEU 24 Cb -0.16 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.46 2kl3 s LEU 24 CO 0.12 0.11 0.67 -0.62 0.23 0.00 0.00 176.35 176.86 2kl3 s ASP 25 N 0.68 6.41 0.00 2.29 -1.08 -0.17 -1.57 116.67 123.23 2kl3 s ASP 25 Ca -0.06 -0.00 0.14 0.00 -0.52 0.00 0.00 52.55 52.10 2kl3 s ASP 25 Cb -0.15 -2.34 0.24 0.00 -1.46 0.00 0.00 42.92 39.20 2kl3 s ASP 25 CO 0.02 -0.70 1.12 1.33 0.52 0.00 0.00 175.17 177.46 2kl3 n VAL 26 N 5.76 0.48 0.06 1.11 0.24 -1.07 -1.61 118.33 123.29 2kl3 n VAL 26 Ca -0.00 -0.74 -0.02 0.00 -2.04 0.00 0.00 64.34 61.53 2kl3 n VAL 26 Cb 0.48 0.91 -0.01 0.00 -1.47 0.00 0.00 33.84 33.75 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 2.62 -0.16 -1.59 7.34 3.08 -1.82 -2.06 114.38 121.79 2kl3 h ARG 27 Ca 0.00 0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.26 2kl3 h ARG 27 Cb 0.68 0.04 -0.20 0.00 0.08 0.00 0.00 29.97 30.56 2kl3 h ARG 27 CO 0.00 -0.10 0.73 0.34 -1.07 0.00 0.00 179.97 179.87 2kl3 s ASP 28 N -2.37 -0.20 0.11 7.04 2.15 -1.26 -4.46 116.67 117.69 2kl3 s ASP 28 Ca -0.02 0.06 -0.23 0.00 0.43 0.00 0.00 52.55 52.79 2kl3 s ASP 28 Cb 0.00 0.20 -0.08 0.00 -0.30 0.00 0.00 42.92 42.74 2kl3 s ASP 28 CO 0.07 -0.30 1.70 -0.09 -0.17 0.00 0.00 175.17 176.39 2kl3 h ARG 29 N 2.08 -0.10 -0.01 4.34 9.65 -1.94 0.22 114.38 128.62 2kl3 h ARG 29 Ca -0.12 0.01 -0.21 0.00 -1.10 0.00 0.00 59.98 58.55 2kl3 h ARG 29 Cb 1.18 0.02 0.02 0.00 -1.39 0.00 0.00 29.97 29.80 2kl3 h ARG 29 CO 0.25 -0.07 -0.80 0.77 2.80 0.00 0.00 179.97 182.92 2kl3 h SER 30 N -0.11 0.73 -0.30 -3.80 0.02 -1.99 -2.86 113.55 105.24 2kl3 h SER 30 Ca 0.05 -0.74 -0.00 0.00 -0.84 0.00 0.00 61.79 60.26 2kl3 h SER 30 Cb 0.17 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2kl3 h SER 30 CO -0.11 1.37 0.19 0.74 -1.14 0.00 0.00 176.83 177.87 2kl3 h THR 31 N 0.16 1.09 0.09 -2.27 2.02 -1.93 0.21 112.91 112.28 2kl3 h THR 31 Ca -0.10 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 66.90 2kl3 h THR 31 Cb 1.48 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 2kl3 h THR 31 CO 0.16 0.10 -0.25 0.22 0.37 0.00 0.00 175.52 176.12 2kl3 h TYR 32 N 0.43 -0.67 -0.79 3.16 3.20 -0.45 -2.44 116.97 119.41 2kl3 h TYR 32 Ca 0.11 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 2kl3 h TYR 32 Cb -0.01 0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 2kl3 h TYR 32 CO 0.00 -0.35 0.47 -0.91 -1.64 0.00 0.00 178.16 175.73 2kl3 h ASN 33 N -0.44 0.95 -0.50 -2.11 2.35 -1.07 -3.03 115.58 111.72 2kl3 h ASN 33 Ca 0.04 -0.06 0.10 0.00 -0.55 0.00 0.00 56.30 55.83 2kl3 h ASN 33 Cb 0.48 -0.24 -0.08 0.00 0.05 0.00 0.00 38.32 38.52 2kl3 h ASN 33 CO -0.16 0.73 -0.01 -0.78 -1.65 0.00 0.00 177.43 175.56 2kl3 h ASP 34 N 1.09 -0.24 -1.35 5.81 1.82 -0.17 0.42 116.42 123.80 2kl3 h ASP 34 Ca 0.28 0.12 0.21 0.00 -0.39 0.00 0.00 57.03 57.26 2kl3 h ASP 34 Cb -0.04 0.22 -0.29 0.00 0.68 0.00 0.00 39.33 39.90 2kl3 h ASP 34 CO -0.05 -0.08 0.57 -0.83 -1.61 0.00 0.00 179.24 177.23 2kl3 s GLY 35 N -3.16 0.34 0.20 -0.78 0.00 -0.96 -0.67 107.32 102.29 2kl3 s GLY 35 Ca -0.14 3.60 -0.05 0.00 0.00 0.00 0.00 44.72 48.13 2kl3 s GLY 35 CO 0.72 3.01 0.23 -2.38 0.00 0.00 0.00 173.10 174.69 2kl3 s HIS 36 N 1.59 0.85 0.37 1.90 -3.43 0.24 -4.72 115.29 112.09 2kl3 s HIS 36 Ca -0.05 -1.13 -0.28 0.00 -0.80 0.00 0.00 55.06 52.80 2kl3 s HIS 36 Cb -0.02 -0.30 -0.10 0.00 -1.43 0.00 0.00 32.58 30.72 2kl3 s HIS 36 CO -0.14 -0.73 1.38 0.42 -2.00 0.00 0.00 174.74 173.67 2kl3 s ILE 37 N -4.10 2.41 -0.53 -5.38 1.01 -1.26 -1.33 121.20 112.02 2kl3 s ILE 37 Ca 0.31 0.40 -0.27 0.00 0.00 0.00 0.00 60.65 61.10 2kl3 s ILE 37 Cb 0.05 -3.25 -0.08 0.00 0.01 0.00 0.00 42.46 39.18 2kl3 s ILE 37 CO 0.09 0.09 2.44 0.80 0.00 0.00 0.00 174.94 178.36 2kl3 n MET 38 N 0.49 0.97 -0.37 2.79 0.00 -0.98 -1.78 117.12 118.24 2kl3 n MET 38 Ca 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 57.70 57.72 2kl3 n MET 38 Cb 0.41 -3.27 0.00 0.00 0.00 0.00 0.00 33.22 30.36 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 6.05 0.81 3.86 -5.12 0.00 -1.26 -5.02 105.19 104.51 2kl3 n GLY 39 Ca 0.40 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 3.13 0.42 4.61 0.00 -0.73 -4.94 121.76 122.26 2kl3 s ALA 40 Ca 0.00 0.03 -0.19 0.00 0.00 0.00 0.00 51.96 51.80 2kl3 s ALA 40 Cb 0.00 -3.03 -0.10 0.00 0.00 0.00 0.00 23.12 19.99 2kl3 s ALA 40 CO 0.00 -0.33 0.91 -1.64 0.00 0.00 0.00 175.76 174.70 2kl3 s MET 41 N -4.36 4.13 -0.64 0.00 -1.94 -0.52 -4.90 119.30 111.06 2kl3 s MET 41 Ca 0.56 0.99 -0.15 0.00 -1.71 0.00 0.00 55.69 55.38 2kl3 s MET 41 Cb -0.10 -2.22 0.16 0.00 2.01 0.00 0.00 34.83 34.67 2kl3 s MET 41 CO 0.38 -0.04 0.59 0.00 -0.01 0.00 0.00 175.02 175.94 2kl3 s ALA 42 N -2.23 3.79 -0.51 3.03 0.00 -1.26 -1.00 121.76 123.58 2kl3 s ALA 42 Ca 0.60 -2.81 0.03 0.00 0.00 0.00 0.00 51.96 49.78 2kl3 s ALA 42 Cb -0.09 -3.34 0.14 0.00 0.00 0.00 0.00 23.12 19.83 2kl3 s ALA 42 CO 0.17 -2.10 0.29 -1.64 0.00 0.00 0.00 175.76 172.48 2kl3 s MET 43 N 1.10 1.71 0.18 0.00 -1.94 -0.63 -4.98 119.30 114.75 2kl3 s MET 43 Ca 0.08 -2.45 -0.32 0.00 -1.71 0.00 0.00 55.69 51.29 2kl3 s MET 43 Cb -0.23 -2.85 -0.12 0.00 2.01 0.00 0.00 34.83 33.64 2kl3 s MET 43 CO -0.01 -1.17 1.75 -2.30 -0.01 0.00 0.00 175.02 173.28 2kl3 n PRO 44 N 3.12 2.75 -0.38 2.03 -0.02 -1.25 -3.73 135.00 137.52 2kl3 n PRO 44 Ca 0.10 0.99 0.38 0.00 -2.02 0.00 0.00 63.50 62.95 2kl3 n PRO 44 Cb 0.34 -2.85 0.71 0.00 -0.02 0.00 0.00 33.50 31.69 2kl3 n PRO 44 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2kl3 h ILE 45 N 4.00 0.19 0.08 4.25 2.10 -1.59 0.61 117.51 127.15 2kl3 h ILE 45 Ca -0.44 0.00 -0.16 0.00 1.08 0.00 0.00 64.86 65.34 2kl3 h ILE 45 Cb 1.21 0.23 0.02 0.00 -1.09 0.00 0.00 36.82 37.18 2kl3 h ILE 45 CO 0.95 0.00 -0.69 1.05 -1.08 0.00 0.00 178.15 178.38 2kl3 h GLU 46 N 0.00 0.33 0.00 2.19 4.11 -1.87 -3.26 114.58 116.07 2kl3 h GLU 46 Ca 0.63 -0.46 0.00 0.00 0.07 0.00 0.00 59.36 59.60 2kl3 h GLU 46 Cb 2.75 0.16 0.00 0.00 0.50 0.00 0.00 28.75 32.15 2kl3 h GLU 46 CO -0.01 1.17 0.00 -0.25 0.07 0.00 0.00 179.01 179.99 2kl3 n ASP 47 N -4.19 0.14 -0.40 3.06 9.92 0.18 -4.47 116.55 120.80 2kl3 n ASP 47 Ca -0.12 0.52 -0.07 0.00 -0.53 0.00 0.00 54.79 54.59 2kl3 n ASP 47 Cb 0.74 -0.55 -0.04 0.00 -0.64 0.00 0.00 41.12 40.63 2kl3 n ASP 47 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2kl3 n LEU 48 N -1.64 -0.88 -0.02 0.64 7.94 0.58 -0.96 117.00 122.67 2kl3 n LEU 48 Ca 0.06 1.72 -0.09 0.00 -1.11 0.00 0.00 56.01 56.59 2kl3 n LEU 48 Cb 0.31 -0.29 -0.03 0.00 0.53 0.00 0.00 43.42 43.95 2kl3 n LEU 48 CO 0.25 -1.46 0.70 0.58 -1.11 0.00 0.00 177.39 176.34 2kl3 h VAL 49 N 0.00 0.41 -0.20 1.96 2.07 -1.83 0.13 116.25 118.79 2kl3 h VAL 49 Ca 0.23 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.70 2kl3 h VAL 49 Cb 0.47 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2kl3 h VAL 49 CO -0.94 0.00 -0.05 0.44 0.02 0.00 0.00 177.57 177.04 2kl3 h ASP 50 N -0.28 0.38 -0.76 0.57 5.19 -1.71 -1.99 116.42 117.83 2kl3 h ASP 50 Ca 0.11 -0.37 0.05 0.00 -0.62 0.00 0.00 57.03 56.20 2kl3 h ASP 50 Cb 0.46 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 39.81 2kl3 h ASP 50 CO -0.34 0.66 0.46 0.03 -3.12 0.00 0.00 179.24 176.94 2kl3 h ARG 51 N 0.10 0.84 0.21 3.56 2.47 -0.76 -2.27 114.38 118.53 2kl3 h ARG 51 Ca 0.05 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2kl3 h ARG 51 Cb 0.50 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 2kl3 h ARG 51 CO 0.02 0.55 -0.10 0.00 0.56 0.00 0.00 179.97 181.00 2kl3 h ALA 52 N 1.35 -0.28 -0.56 0.04 0.00 -0.73 -3.27 119.26 115.81 2kl3 h ALA 52 Ca 0.32 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 55.15 2kl3 h ALA 52 Cb 0.12 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2kl3 h ALA 52 CO -0.15 -0.39 0.39 0.66 0.00 0.00 0.00 179.25 179.76 2kl3 h SER 53 N -0.82 0.18 -0.26 0.00 4.64 -1.30 0.41 113.55 116.41 2kl3 h SER 53 Ca -0.03 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2kl3 h SER 53 Cb 0.51 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2kl3 h SER 53 CO 0.05 0.10 0.10 0.77 -0.87 0.00 0.00 176.83 176.98 2kl3 h SER 54 N 0.20 0.35 0.00 4.97 4.64 -1.46 -3.35 113.55 118.90 2kl3 h SER 54 Ca 0.27 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2kl3 h SER 54 Cb 0.78 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2kl3 h SER 54 CO -0.05 0.42 -0.00 -1.20 -0.87 0.00 0.00 176.83 175.13 2kl3 n SER 55 N -4.78 1.67 -4.44 4.97 7.64 -0.90 -5.06 113.62 112.72 2kl3 n SER 55 Ca -0.03 -1.86 -0.21 0.00 1.01 0.00 0.00 58.87 57.78 2kl3 n SER 55 Cb 0.13 -0.01 -0.11 0.00 -1.01 0.00 0.00 64.21 63.21 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 -0.88 2.22 -0.03 -3.43 1.43 0.14 -5.08 118.68 113.05 2kl3 s LEU 56 Ca 0.01 -1.35 0.07 0.00 -1.03 0.00 0.00 54.13 51.83 2kl3 s LEU 56 Cb 0.01 -0.40 -0.02 0.00 0.03 0.00 0.00 46.19 45.80 2kl3 s LEU 56 CO 0.00 -0.58 -0.24 -0.70 0.23 0.00 0.00 176.35 175.07 2kl3 s GLU 57 N -3.87 2.22 0.52 1.70 2.12 -1.26 -4.67 118.70 115.46 2kl3 s GLU 57 Ca 0.35 -0.89 0.19 0.00 0.36 0.00 0.00 54.97 54.99 2kl3 s GLU 57 Cb 0.08 -2.11 1.34 0.00 0.26 0.00 0.00 34.13 33.70 2kl3 s GLU 57 CO 0.15 0.55 2.14 0.87 -0.54 0.00 0.00 175.26 178.43 2kl3 h LYS 58 N 5.52 0.00 0.00 4.30 1.79 -1.97 -1.61 116.57 124.61 2kl3 h LYS 58 Ca -0.42 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.04 2kl3 h LYS 58 Cb 1.13 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.78 2kl3 h LYS 58 CO 0.48 0.04 -0.75 1.03 -1.08 0.00 0.00 179.45 179.16 2kl3 h SER 59 N 0.00 0.00 -2.77 0.86 0.87 -1.93 0.37 113.55 110.95 2kl3 h SER 59 Ca -0.00 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 60.04 2kl3 h SER 59 Cb 0.07 0.00 0.06 0.00 -0.44 0.00 0.00 62.40 62.09 2kl3 h SER 59 CO 0.00 0.01 0.98 -0.60 -0.53 0.00 0.00 176.83 176.69 2kl3 s ARG 60 N -3.32 4.14 -0.22 2.24 6.06 -0.61 -4.51 118.95 122.74 2kl3 s ARG 60 Ca 0.01 2.56 -0.28 0.00 -2.50 0.00 0.00 55.73 55.52 2kl3 s ARG 60 Cb 0.08 -3.08 -0.05 0.00 0.06 0.00 0.00 34.95 31.96 2kl3 s ARG 60 CO 0.76 -0.71 2.11 0.34 -2.50 0.00 0.00 175.30 175.30 2kl3 s ASP 61 N 1.10 5.62 -0.06 -2.12 -1.08 -1.26 -4.38 116.67 114.49 2kl3 s ASP 61 Ca 0.73 1.82 0.04 0.00 -0.52 0.00 0.00 52.55 54.62 2kl3 s ASP 61 Cb -0.48 -2.52 -0.00 0.00 -1.46 0.00 0.00 42.92 38.46 2kl3 s ASP 61 CO 0.33 -1.84 -0.20 -0.63 0.52 0.00 0.00 175.17 173.35 2kl3 s ILE 62 N 7.74 1.66 -0.17 4.11 1.01 0.21 -0.52 121.20 135.25 2kl3 s ILE 62 Ca 0.95 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 60.79 2kl3 s ILE 62 Cb -0.31 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 40.74 2kl3 s ILE 62 CO 0.35 0.47 -0.19 -0.31 0.00 0.00 0.00 174.94 175.26 2kl3 s TYR 63 N 0.15 2.76 -0.07 3.97 2.02 0.68 -0.82 117.35 126.03 2kl3 s TYR 63 Ca -0.09 -1.49 -0.02 0.00 -0.37 0.00 0.00 57.07 55.10 2kl3 s TYR 63 Cb -0.14 -1.90 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 2kl3 s TYR 63 CO 0.04 -0.72 0.04 0.08 -1.57 0.00 0.00 175.55 173.42 2kl3 s VAL 64 N 1.14 4.59 -0.03 0.71 1.01 -0.37 -1.16 120.40 126.28 2kl3 s VAL 64 Ca 0.01 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2kl3 s VAL 64 Cb -0.14 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.28 2kl3 s VAL 64 CO -0.09 0.54 -0.01 -0.72 0.00 0.00 0.00 175.10 174.82 2kl3 s TYR 65 N -0.99 0.42 0.00 5.22 1.13 -0.61 -0.53 117.35 122.00 2kl3 s TYR 65 Ca 0.16 -0.05 0.00 0.00 -1.41 0.00 0.00 57.07 55.77 2kl3 s TYR 65 Cb -0.12 -0.46 0.00 0.00 -1.10 0.00 0.00 41.96 40.29 2kl3 s TYR 65 CO 0.06 -0.14 0.00 0.41 -2.51 0.00 0.00 175.55 173.37 2kl3 n GLY 66 N 4.03 3.75 0.20 5.49 0.00 -1.26 -2.60 105.19 114.80 2kl3 n GLY 66 Ca -0.26 -2.08 0.13 0.00 0.00 0.00 0.00 46.02 43.81 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 0.12 1.00 -2.73 4.61 0.00 -1.92 -2.81 119.26 117.52 2kl3 h ALA 67 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kl3 h ALA 67 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kl3 h ALA 67 CO 0.00 0.00 0.26 0.41 0.00 0.00 0.00 179.25 179.92 2kl3 n GLY 68 N 0.85 1.12 0.23 0.00 0.00 -1.26 -4.72 105.19 101.41 2kl3 n GLY 68 Ca 0.04 -1.19 -0.02 0.00 0.00 0.00 0.00 46.02 44.84 2kl3 n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kl3 h ASP 69 N 1.59 0.36 0.36 1.61 5.19 -1.92 -1.69 116.42 121.92 2kl3 h ASP 69 Ca -0.26 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.18 2kl3 h ASP 69 Cb 0.99 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.49 2kl3 h ASP 69 CO 0.33 0.23 -0.17 -0.08 -3.12 0.00 0.00 179.24 176.43 2kl3 h GLU 70 N 0.51 -0.47 -0.65 3.56 4.81 -1.99 -0.97 114.58 119.38 2kl3 h GLU 70 Ca 0.28 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.47 2kl3 h GLU 70 Cb 0.25 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 2kl3 h GLU 70 CO -0.22 -0.25 0.12 0.37 -0.73 0.00 0.00 179.01 178.29 2kl3 h GLN 71 N -0.59 1.07 0.30 1.92 4.15 -1.95 -0.26 115.11 119.75 2kl3 h GLN 71 Ca -0.05 -0.28 -0.01 0.00 0.77 0.00 0.00 58.65 59.08 2kl3 h GLN 71 Cb 0.44 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 2kl3 h GLN 71 CO 0.08 0.98 -0.16 1.15 -1.93 0.00 0.00 178.83 178.95 2kl3 h THR 72 N 0.98 0.67 -0.34 2.39 2.02 -1.27 -1.57 112.91 115.79 2kl3 h THR 72 Ca 0.20 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.29 2kl3 h THR 72 Cb 0.42 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 2kl3 h THR 72 CO 0.01 0.00 -0.17 -1.28 0.37 0.00 0.00 175.52 174.45 2kl3 h SER 73 N -0.43 0.63 -0.10 4.18 0.87 -1.07 -2.77 113.55 114.87 2kl3 h SER 73 Ca -0.04 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.31 2kl3 h SER 73 Cb 0.34 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2kl3 h SER 73 CO 0.05 0.81 -0.00 -0.61 -0.53 0.00 0.00 176.83 176.55 2kl3 h GLN 74 N 0.57 0.18 -0.50 2.24 4.15 -0.95 -2.55 115.11 118.25 2kl3 h GLN 74 Ca 0.09 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.47 2kl3 h GLN 74 Cb 0.62 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.26 2kl3 h GLN 74 CO 0.04 0.44 0.29 0.00 -1.93 0.00 0.00 178.83 177.68 2kl3 h ALA 75 N 0.73 0.63 -0.76 3.38 0.00 -1.25 -2.01 119.26 119.98 2kl3 h ALA 75 Ca 0.03 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.05 2kl3 h ALA 75 Cb 0.36 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 2kl3 h ALA 75 CO 0.01 -0.01 0.35 0.28 0.00 0.00 0.00 179.25 179.88 2kl3 h VAL 76 N 0.59 0.76 -0.49 0.00 2.07 -1.46 -1.11 116.25 116.60 2kl3 h VAL 76 Ca 0.20 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 67.61 2kl3 h VAL 76 Cb 0.02 0.16 -0.07 0.00 -1.52 0.00 0.00 31.29 29.88 2kl3 h VAL 76 CO -0.09 0.10 0.11 -1.13 0.02 0.00 0.00 177.57 176.58 2kl3 h ASN 77 N 0.55 0.03 -0.72 0.57 -1.24 -0.94 -1.88 115.58 111.94 2kl3 h ASN 77 Ca 0.40 0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.49 2kl3 h ASN 77 Cb 0.52 0.11 -0.04 0.00 0.73 0.00 0.00 38.32 39.64 2kl3 h ASN 77 CO -0.33 0.04 0.46 -0.07 -1.29 0.00 0.00 177.43 176.23 2kl3 h LEU 78 N 0.25 0.86 0.16 0.34 3.38 -0.76 0.29 115.31 119.82 2kl3 h LEU 78 Ca 0.25 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2kl3 h LEU 78 Cb 0.32 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2kl3 h LEU 78 CO -0.31 0.64 -0.07 -0.07 0.09 0.00 0.00 178.44 178.72 2kl3 h LEU 79 N 1.00 -0.18 -1.76 1.67 3.38 -0.64 -0.39 115.31 118.39 2kl3 h LEU 79 Ca 0.26 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2kl3 h LEU 79 Cb -0.07 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2kl3 h LEU 79 CO -0.05 0.17 -0.15 0.08 0.09 0.00 0.00 178.44 178.58 2kl3 h ARG 80 N -0.54 0.00 0.00 1.13 0.11 -1.17 0.23 114.38 114.13 2kl3 h ARG 80 Ca -0.02 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.03 2kl3 h ARG 80 Cb 0.42 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.49 2kl3 h ARG 80 CO 0.04 0.15 -0.12 1.03 0.10 0.00 0.00 179.97 181.17 2kl3 h SER 81 N 0.00 0.00 -0.15 0.08 0.87 -0.24 -2.54 113.55 111.57 2kl3 h SER 81 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kl3 h SER 81 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2kl3 h SER 81 CO 0.02 0.12 0.00 0.00 -0.53 0.00 0.00 176.83 176.44 2kl3 n ALA 82 N -2.17 2.51 0.00 6.23 0.00 0.69 -4.94 120.51 122.82 2kl3 n ALA 82 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2kl3 n ALA 82 Cb 0.35 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 1.23 2.62 3.56 0.00 0.00 -0.77 -5.05 105.19 106.78 2kl3 n GLY 83 Ca 0.17 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.74 2kl3 n GLY 83 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kl3 n PHE 84 N -1.14 1.89 0.13 1.61 3.01 -0.51 -4.86 117.46 117.59 2kl3 n PHE 84 Ca 0.00 -0.01 -0.07 0.00 1.01 0.00 0.00 57.45 58.38 2kl3 n PHE 84 Cb 0.00 -2.67 -0.04 0.00 -0.01 0.00 0.00 39.48 36.76 2kl3 n PHE 84 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2kl3 h GLU 85 N 13.88 -0.40 -4.62 -1.08 5.08 -0.60 -3.32 114.58 123.52 2kl3 h GLU 85 Ca -0.37 0.03 -0.74 0.00 -1.00 0.00 0.00 59.36 57.27 2kl3 h GLU 85 Cb 1.27 0.09 -0.18 0.00 0.50 0.00 0.00 28.75 30.43 2kl3 h GLU 85 CO 0.98 -0.21 1.41 0.72 -1.00 0.00 0.00 179.01 180.91 2kl3 n HIS 86 N -5.05 4.78 -4.25 4.33 8.25 -1.03 -4.94 115.22 117.31 2kl3 n HIS 86 Ca -0.06 -3.31 -0.19 0.00 -0.26 0.00 0.00 57.72 53.89 2kl3 n HIS 86 Cb 0.19 -2.16 -0.16 0.00 1.12 0.00 0.00 29.99 28.98 2kl3 n HIS 86 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2kl3 s VAL 87 N 1.41 0.60 0.16 1.59 1.01 -1.26 -0.62 120.40 123.29 2kl3 s VAL 87 Ca 0.42 -0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.25 2kl3 s VAL 87 Cb -0.02 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 2kl3 s VAL 87 CO 0.00 0.22 -0.13 -0.55 0.00 0.00 0.00 175.10 174.64 2kl3 s SER 88 N 0.52 2.14 -0.16 3.32 0.15 0.00 -4.94 113.70 114.73 2kl3 s SER 88 Ca -0.07 -0.93 -0.08 0.00 0.70 0.00 0.00 55.95 55.57 2kl3 s SER 88 Cb -0.11 -0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.08 2kl3 s SER 88 CO 0.00 -0.20 0.11 -1.83 1.20 0.00 0.00 173.24 172.52 2kl3 s GLU 89 N -3.28 3.83 -0.52 5.44 -1.05 -0.93 -1.24 118.70 120.94 2kl3 s GLU 89 Ca 0.16 -0.24 -0.28 0.00 -0.15 0.00 0.00 54.97 54.45 2kl3 s GLU 89 Cb -0.02 -3.25 0.02 0.00 -0.44 0.00 0.00 34.13 30.44 2kl3 s GLU 89 CO 0.04 0.46 1.29 -1.17 0.95 0.00 0.00 175.26 176.83 2kl3 s LEU 90 N -0.14 3.50 -0.34 1.83 2.96 0.31 -0.25 118.68 126.55 2kl3 s LEU 90 Ca 0.09 0.37 -0.32 0.00 -0.22 0.00 0.00 54.13 54.06 2kl3 s LEU 90 Cb -0.12 -3.29 -0.09 0.00 0.50 0.00 0.00 46.19 43.19 2kl3 s LEU 90 CO 0.01 -1.49 2.24 0.29 -1.32 0.00 0.00 176.35 176.08 2kl3 n LYS 91 N 8.31 1.30 0.00 1.98 5.02 -0.05 -1.35 118.16 133.37 2kl3 n LYS 91 Ca 0.12 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 2kl3 n LYS 91 Cb 0.49 -2.75 0.00 0.00 -0.02 0.00 0.00 35.03 32.75 2kl3 n LYS 91 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kl3 n GLY 92 N 6.27 3.20 7.00 0.72 0.00 -1.26 -4.42 105.19 116.70 2kl3 n GLY 92 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.47 -0.10 0.13 -0.02 0.00 -0.46 -3.61 105.19 99.66 2kl3 n GLY 93 Ca 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 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 0.32 -1.69 0.99 5.85 -1.78 -2.34 115.31 116.66 2kl3 h LEU 94 Ca 0.00 -0.05 0.23 0.00 0.84 0.00 0.00 57.88 58.90 2kl3 h LEU 94 Cb 0.00 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 2kl3 h LEU 94 CO 0.00 0.27 0.61 0.00 -0.34 0.00 0.00 178.44 178.99 2kl3 h ALA 95 N 1.05 2.45 -0.04 1.25 0.00 -1.85 0.18 119.26 122.31 2kl3 h ALA 95 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2kl3 h ALA 95 Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2kl3 h ALA 95 CO -0.02 -0.73 -0.21 0.00 0.00 0.00 0.00 179.25 178.29 2kl3 h ALA 96 N 1.59 0.08 -0.91 0.00 0.00 -1.50 0.11 119.26 118.63 2kl3 h ALA 96 Ca 0.46 -0.41 0.14 0.00 0.00 0.00 0.00 54.91 55.10 2kl3 h ALA 96 Cb 1.39 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.09 2kl3 h ALA 96 CO -0.12 0.06 0.52 2.35 0.00 0.00 0.00 179.25 182.07 2kl3 h TRP 97 N -0.36 0.93 0.05 0.00 2.91 -0.68 -0.65 115.95 118.16 2kl3 h TRP 97 Ca -0.02 0.03 -0.24 0.00 1.13 0.00 0.00 58.89 59.80 2kl3 h TRP 97 Cb 0.88 -0.28 -0.00 0.00 -0.51 0.00 0.00 29.16 29.25 2kl3 h TRP 97 CO 0.15 0.27 -1.05 0.87 -1.03 0.00 0.00 178.44 177.65 2kl3 h LYS 98 N 0.76 0.27 -0.61 2.65 1.57 -0.73 0.43 116.57 120.90 2kl3 h LYS 98 Ca 0.49 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2kl3 h LYS 98 Cb 0.63 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 2kl3 h LYS 98 CO -0.33 1.11 0.31 0.00 -0.57 0.00 0.00 179.45 179.97 2kl3 h ALA 99 N 0.75 1.40 -0.09 3.86 0.00 0.12 -1.01 119.26 124.28 2kl3 h ALA 99 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2kl3 h ALA 99 Cb 1.73 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2kl3 h ALA 99 CO 0.17 0.48 0.00 0.44 0.00 0.00 0.00 179.25 180.34 2kl3 n ILE 100 N -4.37 0.12 -3.16 0.00 -5.35 -0.34 -4.93 119.36 101.34 2kl3 n ILE 100 Ca 0.06 -0.16 -0.14 0.00 -0.27 0.00 0.00 62.75 62.23 2kl3 n ILE 100 Cb 0.12 0.02 0.07 0.00 -1.74 0.00 0.00 39.64 38.11 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 0.88 -0.21 3.91 3.28 0.00 -0.38 -5.03 105.19 107.64 2kl3 n GLY 101 Ca 0.12 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.07 1.54 0.09 -0.02 0.00 0.14 -5.02 107.32 99.98 2kl3 s GLY 102 Ca 0.02 -0.52 -0.31 0.00 0.00 0.00 0.00 44.72 43.91 2kl3 s GLY 102 CO 0.59 -0.32 1.71 2.56 0.00 0.00 0.00 173.10 177.64 2kl3 s PRO 103 N -4.84 4.18 0.08 2.90 0.04 -1.26 -4.81 135.00 131.29 2kl3 s PRO 103 Ca 0.50 2.42 0.03 0.00 0.04 0.00 0.00 61.00 63.99 2kl3 s PRO 103 Cb -0.10 -3.58 -0.03 0.00 0.04 0.00 0.00 34.50 30.83 2kl3 s PRO 103 CO 0.46 -0.76 -0.10 0.95 0.04 0.00 0.00 177.00 177.58 2kl3 s THR 104 N 2.60 0.86 0.25 1.26 -4.23 -1.26 -2.33 115.64 112.79 2kl3 s THR 104 Ca 0.76 -1.48 -0.03 0.00 -1.18 0.00 0.00 61.69 59.77 2kl3 s THR 104 Cb -0.42 -1.16 -0.02 0.00 1.34 0.00 0.00 72.50 72.24 2kl3 s THR 104 CO 0.34 -0.48 0.28 -1.61 -0.54 0.00 0.00 174.62 172.60 2kl3 s GLU 105 N -2.41 1.47 0.00 3.99 0.41 -0.45 -4.78 118.70 116.93 2kl3 s GLU 105 Ca 0.01 -1.62 0.00 0.00 -0.41 0.00 0.00 54.97 52.96 2kl3 s GLU 105 Cb -0.05 0.35 0.00 0.00 -1.78 0.00 0.00 34.13 32.65 2kl3 s GLU 105 CO 0.00 -0.55 0.00 0.41 -0.49 0.00 0.00 175.26 174.64 2kl3 n GLY 106 N -0.39 0.68 0.10 -1.39 0.00 -1.26 -0.59 105.19 102.35 2kl3 n GLY 106 Ca 0.02 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.14 2kl3 n GLY 106 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2kl3 n ILE 107 N 9.00 1.50 -0.18 -0.61 2.08 0.15 -4.29 119.36 127.01 2kl3 n ILE 107 Ca 0.00 0.02 -0.11 0.00 0.56 0.00 0.00 62.75 63.22 2kl3 n ILE 107 Cb 0.00 -2.24 0.01 0.00 -0.75 0.00 0.00 39.64 36.66 2kl3 n ILE 107 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 2kl3 h ILE 108 N -1.00 1.27 0.00 1.39 5.03 -1.05 -1.95 117.51 121.19 2kl3 h ILE 108 Ca -0.17 -1.29 0.00 0.00 -0.12 0.00 0.00 64.86 63.28 2kl3 h ILE 108 Cb 1.13 0.99 0.00 0.00 -3.03 0.00 0.00 36.82 35.90 2kl3 h ILE 108 CO -0.10 0.46 0.00 -0.62 -0.68 0.00 0.00 178.15 177.20 2kl3 n GLU 109 N -4.14 0.12 -0.04 2.37 -0.58 -0.97 -0.91 120.64 116.50 2kl3 n GLU 109 Ca 0.01 0.60 0.11 0.00 -0.42 0.00 0.00 57.16 57.46 2kl3 n GLU 109 Cb 0.42 -1.88 0.11 0.00 -0.57 0.00 0.00 31.44 29.51 2kl3 n GLU 109 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2kl3 n SER 110 N -2.14 2.87 -4.81 1.62 2.88 -0.74 -4.97 113.62 108.32 2kl3 n SER 110 Ca -0.01 -1.89 -0.37 0.00 -1.33 0.00 0.00 58.87 55.27 2kl3 n SER 110 Cb 0.04 -0.05 -0.06 0.00 -0.75 0.00 0.00 64.21 63.39 2kl3 n SER 110 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2kl3 s ARG 111 N -1.66 4.24 0.01 -1.46 1.81 -0.09 -5.07 118.95 116.73 2kl3 s ARG 111 Ca 0.27 0.81 -0.11 0.00 -1.72 0.00 0.00 55.73 54.98 2kl3 s ARG 111 Cb 0.18 -3.05 -0.05 0.00 -0.45 0.00 0.00 34.95 31.58 2kl3 s ARG 111 CO 0.27 0.50 0.35 0.95 -0.68 0.00 0.00 175.30 176.69 2kl3 s THR 112 N -1.34 5.15 0.00 0.02 -4.23 -1.26 -5.06 115.64 108.92 2kl3 s THR 112 Ca 0.37 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.42 2kl3 s THR 112 Cb -0.18 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.03 2kl3 s THR 112 CO 0.21 0.46 0.41 -2.65 -0.54 0.00 0.00 174.62 172.51 2kl3 n PRO 113 N 1.44 0.00 -0.16 3.99 -0.02 -1.26 -5.04 135.00 133.95 2kl3 n PRO 113 Ca -0.12 0.21 0.02 0.00 -2.02 0.00 0.00 63.50 61.59 2kl3 n PRO 113 Cb 0.53 -1.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.00 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 -1.14 -0.42 0.00 3.55 0.00 -1.26 -5.07 120.51 116.17 2kl3 n ALA 114 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2kl3 n ALA 114 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 -0.49 1.11 3.62 0.00 0.00 -1.26 -5.17 105.19 103.00 2kl3 n GLY 115 Ca 0.00 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.00 -0.27 4.61 0.00 -1.26 -5.17 121.76 117.67 2kl3 s ALA 116 Ca 0.00 1.76 -0.10 0.00 0.00 0.00 0.00 51.96 53.62 2kl3 s ALA 116 Cb 0.00 -1.26 0.11 0.00 0.00 0.00 0.00 23.12 21.97 2kl3 s ALA 116 CO 0.00 -0.24 0.60 0.34 0.00 0.00 0.00 175.76 176.46 2kl3 s ASP 117 N -0.27 -0.92 0.05 0.00 2.15 -1.26 -5.17 116.67 111.26 2kl3 s ASP 117 Ca 0.02 1.43 0.02 0.00 0.43 0.00 0.00 52.55 54.45 2kl3 s ASP 117 Cb -0.03 1.92 -0.03 0.00 -0.30 0.00 0.00 42.92 44.48 2kl3 s ASP 117 CO -0.05 -0.22 -0.07 1.51 -0.17 0.00 0.00 175.17 176.17 2kl3 s ASP 118 N 2.60 0.81 -0.09 -0.34 1.47 -1.26 -5.17 116.67 114.70 2kl3 s ASP 118 Ca -0.06 -0.68 -0.16 0.00 1.18 0.00 0.00 52.55 52.83 2kl3 s ASP 118 Cb -0.11 0.07 0.04 0.00 -0.34 0.00 0.00 42.92 42.58 2kl3 s ASP 118 CO -0.18 -0.31 0.40 -0.47 0.68 0.00 0.00 175.17 175.29 2kl3 s TYR 119 N -2.10 -0.36 -1.20 2.11 5.04 -1.26 -5.07 117.35 114.50 2kl3 s TYR 119 Ca -0.04 0.77 -0.22 0.00 -2.44 0.00 0.00 57.07 55.13 2kl3 s TYR 119 Cb -0.05 0.16 -0.07 0.00 0.35 0.00 0.00 41.96 42.35 2kl3 s TYR 119 CO -0.02 -0.33 1.91 -0.80 -1.34 0.00 0.00 175.55 174.98 2kl3 s ASN 120 N -0.54 5.24 0.33 4.32 -0.87 -1.26 -4.72 114.94 117.44 2kl3 s ASN 120 Ca -0.07 -1.77 0.26 0.00 -1.57 0.00 0.00 52.86 49.72 2kl3 s ASN 120 Cb -0.04 -2.59 1.04 0.00 -0.02 0.00 0.00 41.25 39.65 2kl3 s ASN 120 CO 0.03 -2.86 1.78 -0.37 -2.57 0.00 0.00 177.10 173.12 2kl3 h VAL 121 N 6.09 0.00 -2.80 1.60 -1.51 -2.06 -3.41 116.25 114.16 2kl3 h VAL 121 Ca 0.25 -0.35 -0.56 0.00 -1.23 0.00 0.00 66.70 64.81 2kl3 h VAL 121 Cb 0.93 1.18 -0.09 0.00 -2.13 0.00 0.00 31.29 31.18 2kl3 h VAL 121 CO 1.25 0.00 0.93 -0.69 -1.23 0.00 0.00 177.57 177.84 2kl3 s VAL 122 N -3.38 3.96 -0.21 7.19 1.01 -1.26 -4.98 120.40 122.73 2kl3 s VAL 122 Ca 0.04 0.53 -0.02 0.00 0.00 0.00 0.00 61.98 62.53 2kl3 s VAL 122 Cb 0.09 -4.78 0.06 0.00 0.00 0.00 0.00 36.38 31.75 2kl3 s VAL 122 CO 0.46 -1.54 0.02 -0.55 0.00 0.00 0.00 175.10 173.49 2kl3 s SER 123 N 3.33 3.14 -0.25 3.32 0.15 -1.26 -5.11 113.70 117.02 2kl3 s SER 123 Ca 0.37 -0.93 -0.10 0.00 0.70 0.00 0.00 55.95 55.98 2kl3 s SER 123 Cb -0.09 -0.71 0.10 0.00 -1.71 0.00 0.00 66.02 63.60 2kl3 s SER 123 CO 0.19 -0.30 0.56 -0.60 1.20 0.00 0.00 173.24 174.29 2kl3 s ARG 124 N 1.76 0.51 -0.22 5.44 3.00 -1.26 -5.16 118.95 123.03 2kl3 s ARG 124 Ca -0.01 1.19 -0.10 0.00 -1.00 0.00 0.00 55.73 55.81 2kl3 s ARG 124 Cb -0.17 0.42 0.08 0.00 0.00 0.00 0.00 34.95 35.28 2kl3 s ARG 124 CO -0.09 -0.20 0.50 -1.17 0.00 0.00 0.00 175.30 174.35 2kl3 s LEU 125 N 2.30 -0.57 -0.11 -0.88 2.96 -1.26 -5.16 118.68 115.96 2kl3 s LEU 125 Ca -0.06 1.14 -0.18 0.00 -0.22 0.00 0.00 54.13 54.80 2kl3 s LEU 125 Cb -0.10 1.68 0.04 0.00 0.50 0.00 0.00 46.19 48.31 2kl3 s LEU 125 CO -0.17 -0.22 0.45 -0.70 -1.32 0.00 0.00 176.35 174.40 2kl3 s GLU 126 N 2.02 0.66 0.00 1.98 2.12 -1.26 -5.06 118.70 119.16 2kl3 s GLU 126 Ca -0.07 0.33 0.20 0.00 0.36 0.00 0.00 54.97 55.78 2kl3 s GLU 126 Cb -0.09 0.31 0.32 0.00 0.26 0.00 0.00 34.13 34.93 2kl3 s GLU 126 CO -0.15 -0.14 1.13 -2.39 -0.54 0.00 0.00 175.26 173.16 2kl3 n HIS 127 N 2.05 0.00 -3.52 5.30 1.44 -1.26 -5.08 115.22 114.15 2kl3 n HIS 127 Ca -0.17 -0.50 -0.41 0.00 -2.01 0.00 0.00 57.72 54.63 2kl3 n HIS 127 Cb 0.57 0.01 -0.10 0.00 0.12 0.00 0.00 29.99 30.58 2kl3 n HIS 127 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kl3 s HIS 128 N 0.00 3.23 -0.09 -1.40 5.04 -1.26 -5.04 115.29 115.76 2kl3 s HIS 128 Ca 0.26 -0.27 -0.03 0.00 -1.54 0.00 0.00 55.06 53.47 2kl3 s HIS 128 Cb 0.29 -2.50 0.05 0.00 0.04 0.00 0.00 32.58 30.46 2kl3 s HIS 128 CO -0.13 -0.40 0.14 -1.58 -2.34 0.00 0.00 174.74 170.43 2kl3 s HIS 129 N 1.72 -0.10 -0.32 3.88 2.46 -1.26 -5.13 115.29 116.55 2kl3 s HIS 129 Ca 0.06 0.41 0.01 0.00 0.47 0.00 0.00 55.06 56.01 2kl3 s HIS 129 Cb -0.18 -0.36 0.10 0.00 -0.13 0.00 0.00 32.58 32.01 2kl3 s HIS 129 CO 0.10 -0.30 0.07 -1.58 -2.47 0.00 0.00 174.74 170.56 2kl3 s HIS 130 N 2.25 2.54 -0.21 3.88 5.04 -1.26 -5.09 115.29 122.44 2kl3 s HIS 130 Ca 0.04 -2.22 -0.16 0.00 -1.54 0.00 0.00 55.06 51.18 2kl3 s HIS 130 Cb -0.13 -2.17 0.06 0.00 0.04 0.00 0.00 32.58 30.39 2kl3 s HIS 130 CO -0.06 -0.90 0.55 -1.01 -2.34 0.00 0.00 174.74 170.98 2kl3 s HIS 131 N 1.33 -0.70 0.00 3.88 3.76 -1.26 -5.37 115.29 116.93 2kl3 s HIS 131 Ca 0.09 1.57 0.00 0.00 -0.15 0.00 0.00 55.06 56.58 2kl3 s HIS 131 Cb -0.18 0.31 0.00 0.00 1.11 0.00 0.00 32.58 33.82 2kl3 s HIS 131 CO -0.17 -0.35 0.00 0.72 -0.85 0.00 0.00 174.74 174.08