#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl3 n GLU 2 N 0.00 -2.33 -0.27 2.12 -0.58 -1.26 -4.67 120.64 113.65 2kl3 n GLU 2 Ca 0.00 1.79 0.08 0.00 -0.42 0.00 0.00 57.16 58.62 2kl3 n GLU 2 Cb 0.00 -2.19 0.32 0.00 -0.57 0.00 0.00 31.44 29.00 2kl3 n GLU 2 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2kl3 h PRO 3 N 0.26 0.81 -4.22 3.49 0.13 -1.97 -3.43 132.00 127.08 2kl3 h PRO 3 Ca 0.00 -0.05 -0.43 0.00 -0.87 0.00 0.00 66.00 64.65 2kl3 h PRO 3 Cb 0.42 -0.18 -0.33 0.00 0.13 0.00 0.00 31.00 31.04 2kl3 h PRO 3 CO 0.00 0.53 -0.78 -0.65 -0.23 0.00 0.00 178.00 176.87 2kl3 s GLN 4 N -5.77 0.99 -0.06 0.86 -0.21 -1.26 -1.98 119.66 112.23 2kl3 s GLN 4 Ca -0.11 -0.20 0.06 0.00 0.02 0.00 0.00 55.36 55.14 2kl3 s GLN 4 Cb 0.21 -0.93 -0.01 0.00 1.00 0.00 0.00 33.01 33.28 2kl3 s GLN 4 CO 0.79 -0.02 -0.24 -1.12 -2.12 0.00 0.00 175.29 172.58 2kl3 s SER 5 N 0.70 3.17 0.42 5.90 0.01 -0.20 -4.93 113.70 118.77 2kl3 s SER 5 Ca -0.11 -0.48 -0.22 0.00 1.31 0.00 0.00 55.95 56.45 2kl3 s SER 5 Cb -0.13 -0.85 -0.10 0.00 0.21 0.00 0.00 66.02 65.15 2kl3 s SER 5 CO 0.01 0.25 1.00 -0.62 0.41 0.00 0.00 173.24 174.29 2kl3 s ASP 6 N -0.20 6.80 0.24 2.44 -1.08 -1.26 -0.35 116.67 123.27 2kl3 s ASP 6 Ca -0.02 1.88 -0.04 0.00 -0.52 0.00 0.00 52.55 53.84 2kl3 s ASP 6 Cb -0.13 -2.56 0.45 0.00 -1.46 0.00 0.00 42.92 39.21 2kl3 s ASP 6 CO 0.03 -0.46 1.75 0.00 0.52 0.00 0.00 175.17 177.02 2kl3 h ALA 7 N 2.20 1.10 -0.45 3.66 0.00 -1.92 0.30 119.26 124.15 2kl3 h ALA 7 Ca -0.49 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2kl3 h ALA 7 Cb 1.20 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2kl3 h ALA 7 CO 0.61 -0.13 0.23 1.25 0.00 0.00 0.00 179.25 181.22 2kl3 h HIS 8 N 0.54 0.60 -0.14 0.00 -0.00 -1.92 -0.14 115.15 114.08 2kl3 h HIS 8 Ca 0.41 -0.01 -0.18 0.00 -0.00 0.00 0.00 60.37 60.60 2kl3 h HIS 8 Cb 0.57 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 27.78 2kl3 h HIS 8 CO -0.13 0.43 -0.65 0.28 -0.00 0.00 0.00 177.93 177.86 2kl3 h VAL 9 N 0.62 1.34 -0.36 5.26 2.07 -1.36 -2.17 116.25 121.65 2kl3 h VAL 9 Ca 0.16 -1.95 -0.13 0.00 0.82 0.00 0.00 66.70 65.60 2kl3 h VAL 9 Cb 0.04 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2kl3 h VAL 9 CO -0.02 0.60 -0.27 0.25 0.02 0.00 0.00 177.57 178.15 2kl3 h LEU 10 N 0.39 0.85 -0.39 2.57 5.85 -0.85 -2.58 115.31 121.16 2kl3 h LEU 10 Ca -0.02 -0.44 0.03 0.00 0.84 0.00 0.00 57.88 58.29 2kl3 h LEU 10 Cb 1.22 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 2kl3 h LEU 10 CO 0.12 1.11 0.20 0.50 -0.34 0.00 0.00 178.44 180.03 2kl3 h LYS 11 N 0.60 0.39 -0.03 1.25 3.64 -0.96 -0.43 116.57 121.02 2kl3 h LYS 11 Ca 0.07 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 2kl3 h LYS 11 Cb 0.84 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 2kl3 h LYS 11 CO 0.07 0.26 -0.30 0.66 -2.27 0.00 0.00 179.45 177.87 2kl3 h SER 12 N 0.40 0.05 0.38 4.20 4.64 -1.41 -1.79 113.55 120.02 2kl3 h SER 12 Ca 0.17 -0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.31 2kl3 h SER 12 Cb 0.07 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2kl3 h SER 12 CO -0.11 0.35 -0.65 0.03 -0.87 0.00 0.00 176.83 175.58 2kl3 h ARG 13 N 0.05 0.25 0.08 4.77 3.08 -0.96 0.68 114.38 122.34 2kl3 h ARG 13 Ca 0.01 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 2kl3 h ARG 13 Cb 0.55 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2kl3 h ARG 13 CO 0.04 0.82 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.64 2kl3 h LEU 14 N 0.18 -0.10 0.21 3.04 3.38 -0.54 -1.69 115.31 119.80 2kl3 h LEU 14 Ca -0.01 -0.34 -0.35 0.00 0.09 0.00 0.00 57.88 57.27 2kl3 h LEU 14 Cb 1.18 0.02 0.02 0.00 0.09 0.00 0.00 40.66 41.97 2kl3 h LEU 14 CO 0.10 0.31 -1.66 -0.33 0.09 0.00 0.00 178.44 176.95 2kl3 h GLU 15 N -0.52 0.45 -0.00 1.13 5.08 -1.41 -3.40 114.58 115.90 2kl3 h GLU 15 Ca -0.01 -0.76 0.00 0.00 -1.00 0.00 0.00 59.36 57.59 2kl3 h GLU 15 Cb 0.43 0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2kl3 h GLU 15 CO 0.02 1.36 -0.07 0.91 -1.00 0.00 0.00 179.01 180.23 2kl3 n TRP 16 N -3.63 0.00 0.00 4.33 7.02 0.22 -5.03 117.44 120.34 2kl3 n TRP 16 Ca -0.22 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.26 2kl3 n TRP 16 Cb 1.09 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.98 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 0.56 1.47 3.06 6.99 0.00 -0.09 -4.87 105.19 112.31 2kl3 n GLY 17 Ca 0.02 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 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 4.09 2.04 -0.01 1.61 2.56 -1.03 -4.93 118.70 123.02 2kl3 s GLU 18 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.97 54.45 2kl3 s GLU 18 Cb 0.00 -1.66 0.02 0.00 2.00 0.00 0.00 34.13 34.49 2kl3 s GLU 18 CO 0.00 0.04 0.93 -0.35 -0.56 0.00 0.00 175.26 175.31 2kl3 n PRO 19 N 3.85 1.05 0.00 4.30 -0.04 -1.26 -4.09 135.00 138.80 2kl3 n PRO 19 Ca -0.21 -0.08 0.15 0.00 -0.04 0.00 0.00 63.50 63.32 2kl3 n PRO 19 Cb 0.52 -1.13 0.87 0.00 -0.04 0.00 0.00 33.50 33.72 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 0.37 2.60 -2.62 0.55 0.00 -1.26 -4.82 120.51 115.33 2kl3 n ALA 20 Ca 0.01 -0.18 -0.28 0.00 0.00 0.00 0.00 53.44 53.00 2kl3 n ALA 20 Cb 0.48 -1.50 -0.09 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.20 2.78 -0.07 0.00 -0.12 -1.26 -3.97 117.98 113.14 2kl3 s PHE 21 Ca 0.40 -0.15 -0.01 0.00 -0.05 0.00 0.00 56.93 57.13 2kl3 s PHE 21 Cb 0.21 -1.40 -0.03 0.00 -0.63 0.00 0.00 43.02 41.17 2kl3 s PHE 21 CO 0.39 0.48 -0.01 -0.08 -0.05 0.00 0.00 175.22 175.95 2kl3 s THR 22 N -1.49 4.16 -0.24 -4.49 -1.32 0.31 -4.96 115.64 107.61 2kl3 s THR 22 Ca 0.24 -0.35 -0.11 0.00 -1.21 0.00 0.00 61.69 60.26 2kl3 s THR 22 Cb -0.10 -2.76 -0.05 0.00 -1.51 0.00 0.00 72.50 68.08 2kl3 s THR 22 CO 0.16 0.57 0.19 -0.63 -2.21 0.00 0.00 174.62 172.69 2kl3 s ILE 23 N -0.90 5.34 -0.18 5.08 1.09 -1.26 -0.07 121.20 130.30 2kl3 s ILE 23 Ca 0.14 0.23 -0.03 0.00 -1.10 0.00 0.00 60.65 59.89 2kl3 s ILE 23 Cb -0.11 -3.52 -0.02 0.00 -1.06 0.00 0.00 42.46 37.74 2kl3 s ILE 23 CO 0.03 0.33 -0.05 -0.76 -0.10 0.00 0.00 174.94 174.40 2kl3 s LEU 24 N 1.12 3.04 -0.58 2.97 1.43 -0.03 -0.37 118.68 126.26 2kl3 s LEU 24 Ca 0.09 -0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 52.70 2kl3 s LEU 24 Cb -0.14 -1.75 0.06 0.00 0.03 0.00 0.00 46.19 44.40 2kl3 s LEU 24 CO 0.05 0.08 0.86 -0.62 0.23 0.00 0.00 176.35 176.95 2kl3 s ASP 25 N 0.86 6.24 -0.01 2.29 -1.08 -0.25 -1.99 116.67 122.72 2kl3 s ASP 25 Ca -0.01 -0.79 0.21 0.00 -0.52 0.00 0.00 52.55 51.43 2kl3 s ASP 25 Cb -0.15 -2.39 0.61 0.00 -1.46 0.00 0.00 42.92 39.54 2kl3 s ASP 25 CO 0.01 -1.22 1.51 1.33 0.52 0.00 0.00 175.17 177.33 2kl3 n VAL 26 N 5.91 1.08 0.00 1.11 0.24 -1.07 -2.64 118.33 122.96 2kl3 n VAL 26 Ca -0.03 -1.02 0.00 0.00 -2.04 0.00 0.00 64.34 61.25 2kl3 n VAL 26 Cb 0.46 0.47 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 2kl3 n VAL 26 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2kl3 n ARG 27 N 1.44 0.00 -3.56 7.34 1.74 -1.26 -2.09 116.66 120.28 2kl3 n ARG 27 Ca 0.23 0.47 -0.07 0.00 -0.77 0.00 0.00 57.85 57.71 2kl3 n ARG 27 Cb 0.62 -1.33 -0.03 0.00 -1.02 0.00 0.00 32.46 30.70 2kl3 n ARG 27 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2kl3 s ASP 28 N -2.24 -0.26 0.14 0.55 -1.08 -1.26 -4.48 116.67 108.05 2kl3 s ASP 28 Ca 0.00 0.07 -0.17 0.00 -0.52 0.00 0.00 52.55 51.92 2kl3 s ASP 28 Cb 0.00 0.26 0.02 0.00 -1.46 0.00 0.00 42.92 41.74 2kl3 s ASP 28 CO 0.00 -0.39 1.75 -0.09 0.52 0.00 0.00 175.17 176.96 2kl3 h ARG 29 N 2.09 0.22 0.52 4.34 9.65 -1.94 0.62 114.38 129.88 2kl3 h ARG 29 Ca -0.15 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.69 2kl3 h ARG 29 Cb 1.20 -0.05 0.01 0.00 -1.39 0.00 0.00 29.97 29.73 2kl3 h ARG 29 CO 0.27 0.14 -0.25 0.66 2.80 0.00 0.00 179.97 183.60 2kl3 h SER 30 N 0.22 -0.59 -0.69 -3.80 4.64 -2.00 -2.81 113.55 108.53 2kl3 h SER 30 Ca 0.14 -0.06 0.13 0.00 -0.47 0.00 0.00 61.79 61.53 2kl3 h SER 30 Cb 0.11 0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.31 2kl3 h SER 30 CO -0.15 -0.26 0.46 0.74 -0.87 0.00 0.00 176.83 176.76 2kl3 h THR 31 N -0.95 0.83 -0.21 2.95 2.02 -1.92 0.39 112.91 116.01 2kl3 h THR 31 Ca -0.07 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.02 2kl3 h THR 31 Cb 0.61 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 2kl3 h THR 31 CO 0.12 0.07 -0.06 0.22 0.37 0.00 0.00 175.52 176.24 2kl3 h TYR 32 N 0.39 -0.13 -0.64 3.16 3.20 -0.80 -1.47 116.97 120.68 2kl3 h TYR 32 Ca 0.33 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.20 2kl3 h TYR 32 Cb 0.75 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 2kl3 h TYR 32 CO -0.00 -0.10 0.31 -0.91 -1.64 0.00 0.00 178.16 175.82 2kl3 h ASN 33 N -0.01 0.84 -0.42 -2.11 2.35 -0.12 -3.10 115.58 113.01 2kl3 h ASN 33 Ca 0.10 -0.13 0.08 0.00 -0.55 0.00 0.00 56.30 55.80 2kl3 h ASN 33 Cb 0.17 -0.22 -0.07 0.00 0.05 0.00 0.00 38.32 38.26 2kl3 h ASN 33 CO -0.23 0.73 -0.01 0.44 -1.65 0.00 0.00 177.43 176.72 2kl3 h ASP 34 N 0.89 -0.19 -0.23 5.81 5.19 -0.27 0.20 116.42 127.81 2kl3 h ASP 34 Ca 0.22 0.10 0.25 0.00 -0.62 0.00 0.00 57.03 56.98 2kl3 h ASP 34 Cb 0.12 0.18 -0.27 0.00 0.18 0.00 0.00 39.33 39.54 2kl3 h ASP 34 CO -0.03 -0.06 0.48 -0.83 -3.12 0.00 0.00 179.24 175.68 2kl3 s GLY 35 N -2.98 0.20 0.23 2.75 0.00 -0.59 -0.73 107.32 106.20 2kl3 s GLY 35 Ca -0.13 3.55 0.05 0.00 0.00 0.00 0.00 44.72 48.18 2kl3 s GLY 35 CO 0.71 3.41 -0.04 -2.38 0.00 0.00 0.00 173.10 174.80 2kl3 s HIS 36 N 2.17 1.66 0.41 1.90 -3.43 0.55 -4.72 115.29 113.82 2kl3 s HIS 36 Ca -0.00 -0.80 -0.27 0.00 -0.80 0.00 0.00 55.06 53.18 2kl3 s HIS 36 Cb -0.02 -0.93 -0.10 0.00 -1.43 0.00 0.00 32.58 30.11 2kl3 s HIS 36 CO -0.16 0.11 1.44 0.42 -2.00 0.00 0.00 174.74 174.55 2kl3 s ILE 37 N -3.24 2.13 -0.33 -5.38 1.01 -1.26 -1.04 121.20 113.08 2kl3 s ILE 37 Ca 0.27 0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.75 2kl3 s ILE 37 Cb 0.04 -3.08 -0.07 0.00 0.01 0.00 0.00 42.46 39.36 2kl3 s ILE 37 CO 0.08 0.02 2.28 0.80 0.00 0.00 0.00 174.94 178.13 2kl3 n MET 38 N 0.20 1.51 -0.20 2.79 0.00 -0.85 -1.44 117.12 119.11 2kl3 n MET 38 Ca 0.03 0.34 0.00 0.00 -0.00 0.00 0.00 57.70 58.06 2kl3 n MET 38 Cb 0.41 -3.09 0.00 0.00 0.00 0.00 0.00 33.22 30.53 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 6.01 0.90 3.81 -5.12 0.00 -1.26 -4.99 105.19 104.53 2kl3 n GLY 39 Ca 0.35 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 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 2.80 0.23 4.61 0.00 -0.52 -4.79 121.76 122.09 2kl3 s ALA 40 Ca 0.00 0.31 -0.09 0.00 0.00 0.00 0.00 51.96 52.18 2kl3 s ALA 40 Cb 0.00 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.85 2kl3 s ALA 40 CO 0.00 -0.76 0.54 -1.64 0.00 0.00 0.00 175.76 173.90 2kl3 s MET 41 N -4.22 3.77 -0.96 0.00 -1.94 0.50 -4.92 119.30 111.53 2kl3 s MET 41 Ca 0.62 0.23 -0.17 0.00 -1.71 0.00 0.00 55.69 54.66 2kl3 s MET 41 Cb -0.15 -2.66 0.16 0.00 2.01 0.00 0.00 34.83 34.19 2kl3 s MET 41 CO 0.39 0.32 1.11 0.00 -0.01 0.00 0.00 175.02 176.82 2kl3 s ALA 42 N -1.83 3.64 -0.61 3.03 0.00 -1.26 -1.09 121.76 123.64 2kl3 s ALA 42 Ca 0.47 -3.00 0.04 0.00 0.00 0.00 0.00 51.96 49.47 2kl3 s ALA 42 Cb -0.11 -3.95 0.16 0.00 0.00 0.00 0.00 23.12 19.23 2kl3 s ALA 42 CO 0.22 -2.79 0.42 -1.64 0.00 0.00 0.00 175.76 171.97 2kl3 s MET 43 N 1.91 2.04 0.19 0.00 -1.94 -1.08 -4.98 119.30 115.43 2kl3 s MET 43 Ca 0.31 -2.94 -0.33 0.00 -1.71 0.00 0.00 55.69 51.02 2kl3 s MET 43 Cb -0.06 -2.95 -0.13 0.00 2.01 0.00 0.00 34.83 33.70 2kl3 s MET 43 CO -0.08 -1.28 1.67 -2.30 -0.01 0.00 0.00 175.02 173.02 2kl3 n PRO 44 N 2.36 2.52 -0.50 2.03 -0.02 -1.22 -3.65 135.00 136.52 2kl3 n PRO 44 Ca 0.19 0.91 0.41 0.00 -2.02 0.00 0.00 63.50 62.99 2kl3 n PRO 44 Cb 0.37 -2.72 0.70 0.00 -0.02 0.00 0.00 33.50 31.83 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 3.75 0.12 -0.02 4.25 2.10 -1.64 1.09 117.51 127.16 2kl3 h ILE 45 Ca -0.44 -0.02 -0.26 0.00 1.08 0.00 0.00 64.86 65.22 2kl3 h ILE 45 Cb 1.22 0.06 0.02 0.00 -1.09 0.00 0.00 36.82 37.03 2kl3 h ILE 45 CO 0.93 0.01 -1.01 1.05 -1.08 0.00 0.00 178.15 178.05 2kl3 h GLU 46 N 0.06 0.71 0.00 2.19 4.11 -1.88 -3.18 114.58 116.59 2kl3 h GLU 46 Ca 0.83 -0.74 0.00 0.00 0.07 0.00 0.00 59.36 59.51 2kl3 h GLU 46 Cb 2.86 0.21 0.00 0.00 0.50 0.00 0.00 28.75 32.31 2kl3 h GLU 46 CO -0.27 1.32 -0.06 -0.44 0.07 0.00 0.00 179.01 179.62 2kl3 h ASP 47 N 0.40 0.00 -0.28 3.06 5.19 0.54 -3.42 116.42 121.91 2kl3 h ASP 47 Ca -0.12 -0.02 0.02 0.00 -0.62 0.00 0.00 57.03 56.29 2kl3 h ASP 47 Cb 1.66 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.14 2kl3 h ASP 47 CO 0.20 0.01 -0.16 -0.11 -3.12 0.00 0.00 179.24 176.06 2kl3 n LEU 48 N -2.31 -0.29 -0.23 1.55 7.94 0.21 -0.81 117.00 123.06 2kl3 n LEU 48 Ca 0.05 1.21 0.02 0.00 -1.11 0.00 0.00 56.01 56.18 2kl3 n LEU 48 Cb 0.44 -0.42 0.11 0.00 0.53 0.00 0.00 43.42 44.08 2kl3 n LEU 48 CO 0.31 -0.76 0.80 0.58 -1.11 0.00 0.00 177.39 177.21 2kl3 h VAL 49 N 0.00 0.40 0.10 1.96 2.07 -1.82 0.14 116.25 119.10 2kl3 h VAL 49 Ca 0.04 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 2kl3 h VAL 49 Cb 0.11 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2kl3 h VAL 49 CO -0.26 0.01 -0.05 -0.78 0.02 0.00 0.00 177.57 176.52 2kl3 h ASP 50 N 0.08 -0.11 0.18 0.57 3.58 -1.63 -1.01 116.42 118.08 2kl3 h ASP 50 Ca 0.35 -0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.66 2kl3 h ASP 50 Cb 0.58 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 2kl3 h ASP 50 CO -0.62 0.08 -0.12 0.03 -2.88 0.00 0.00 179.24 175.73 2kl3 h ARG 51 N -0.29 -0.29 -0.01 0.28 2.47 0.03 -2.02 114.38 114.55 2kl3 h ARG 51 Ca -0.01 0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2kl3 h ARG 51 Cb 0.24 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.63 2kl3 h ARG 51 CO 0.02 -0.19 0.00 0.00 0.56 0.00 0.00 179.97 180.36 2kl3 h ALA 52 N 0.50 0.01 -0.27 0.04 0.00 -0.81 -0.32 119.26 118.41 2kl3 h ALA 52 Ca -0.01 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.90 2kl3 h ALA 52 Cb 0.26 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2kl3 h ALA 52 CO 0.01 -0.41 0.26 1.03 0.00 0.00 0.00 179.25 180.13 2kl3 h SER 53 N -0.13 0.00 0.05 0.00 0.87 -1.13 0.39 113.55 113.59 2kl3 h SER 53 Ca 0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.40 2kl3 h SER 53 Cb 0.15 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2kl3 h SER 53 CO -0.00 0.00 -0.86 -1.28 -0.53 0.00 0.00 176.83 174.16 2kl3 h SER 54 N 0.00 0.16 -0.26 6.23 0.87 -0.91 -3.41 113.55 116.23 2kl3 h SER 54 Ca 0.13 -0.81 0.00 0.00 -1.23 0.00 0.00 61.79 59.88 2kl3 h SER 54 Cb 0.64 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2kl3 h SER 54 CO -0.00 1.36 0.00 -1.20 -0.53 0.00 0.00 176.83 176.46 2kl3 n SER 55 N -4.31 2.67 -4.07 6.23 7.64 -0.17 -5.00 113.62 116.62 2kl3 n SER 55 Ca -0.21 -1.91 -0.14 0.00 1.01 0.00 0.00 58.87 57.62 2kl3 n SER 55 Cb 0.70 -0.17 -0.12 0.00 -1.01 0.00 0.00 64.21 63.60 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 -0.97 2.23 -0.04 -3.43 1.43 0.13 -5.01 118.68 113.03 2kl3 s LEU 56 Ca 0.19 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 52.64 2kl3 s LEU 56 Cb 0.10 -0.22 -0.05 0.00 0.03 0.00 0.00 46.19 46.05 2kl3 s LEU 56 CO 0.14 -0.16 0.37 -0.70 0.23 0.00 0.00 176.35 176.23 2kl3 s GLU 57 N -1.45 3.91 0.55 1.70 2.12 -1.26 -4.57 118.70 119.69 2kl3 s GLU 57 Ca -0.08 0.32 0.36 0.00 0.36 0.00 0.00 54.97 55.93 2kl3 s GLU 57 Cb -0.09 -3.25 1.80 0.00 0.26 0.00 0.00 34.13 32.85 2kl3 s GLU 57 CO 0.01 0.63 2.10 0.87 -0.54 0.00 0.00 175.26 178.33 2kl3 h LYS 58 N 5.03 0.00 0.00 4.30 1.57 -1.93 -0.45 116.57 125.09 2kl3 h LYS 58 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2kl3 h LYS 58 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2kl3 h LYS 58 CO 0.63 0.00 -0.64 0.45 -0.57 0.00 0.00 179.45 179.32 2kl3 n SER 59 N -2.89 0.60 -4.72 0.86 2.88 -1.26 -0.81 113.62 108.28 2kl3 n SER 59 Ca -0.01 -0.08 -0.42 0.00 -1.33 0.00 0.00 58.87 57.03 2kl3 n SER 59 Cb 0.15 0.30 -0.03 0.00 -0.75 0.00 0.00 64.21 63.88 2kl3 n SER 59 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2kl3 s ARG 60 N -3.11 4.57 0.15 -1.46 3.00 -0.18 -4.68 118.95 117.24 2kl3 s ARG 60 Ca 0.08 1.54 -0.31 0.00 -1.00 0.00 0.00 55.73 56.03 2kl3 s ARG 60 Cb 0.15 -3.39 -0.10 0.00 0.00 0.00 0.00 34.95 31.61 2kl3 s ARG 60 CO 0.73 -0.02 1.66 -0.51 0.00 0.00 0.00 175.30 177.16 2kl3 s ASP 61 N 0.65 6.52 -0.05 -2.12 1.01 -1.25 -4.46 116.67 116.96 2kl3 s ASP 61 Ca 0.52 2.67 0.03 0.00 0.71 0.00 0.00 52.55 56.48 2kl3 s ASP 61 Cb -0.24 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.11 2kl3 s ASP 61 CO 0.30 -0.90 -0.13 -0.63 0.21 0.00 0.00 175.17 174.01 2kl3 s ILE 62 N 1.69 1.17 -0.20 0.77 1.01 0.10 -0.53 121.20 125.21 2kl3 s ILE 62 Ca 0.74 -0.55 -0.02 0.00 0.00 0.00 0.00 60.65 60.82 2kl3 s ILE 62 Cb -0.45 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 40.99 2kl3 s ILE 62 CO 0.32 0.35 -0.11 -0.31 0.00 0.00 0.00 174.94 175.19 2kl3 s TYR 63 N 0.30 2.88 -0.11 3.97 1.51 0.89 -0.35 117.35 126.45 2kl3 s TYR 63 Ca -0.08 -1.25 -0.03 0.00 -1.01 0.00 0.00 57.07 54.70 2kl3 s TYR 63 Cb -0.12 -2.02 -0.03 0.00 -0.11 0.00 0.00 41.96 39.67 2kl3 s TYR 63 CO 0.02 -0.66 0.00 0.08 -1.11 0.00 0.00 175.55 173.88 2kl3 s VAL 64 N 1.40 4.31 -0.03 0.71 1.01 -0.57 -0.85 120.40 126.37 2kl3 s VAL 64 Ca 0.05 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.81 2kl3 s VAL 64 Cb -0.14 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.42 2kl3 s VAL 64 CO -0.08 0.57 -0.04 -0.72 0.00 0.00 0.00 175.10 174.82 2kl3 s TYR 65 N -0.48 0.65 0.07 5.22 1.13 -0.84 -1.11 117.35 121.98 2kl3 s TYR 65 Ca 0.09 -0.16 0.01 0.00 -1.41 0.00 0.00 57.07 55.60 2kl3 s TYR 65 Cb -0.12 -0.56 0.01 0.00 -1.10 0.00 0.00 41.96 40.19 2kl3 s TYR 65 CO 0.02 -0.14 0.04 0.41 -2.51 0.00 0.00 175.55 173.38 2kl3 n GLY 66 N 3.77 3.16 0.17 5.49 0.00 -1.26 -2.59 105.19 113.93 2kl3 n GLY 66 Ca -0.23 -2.19 0.03 0.00 0.00 0.00 0.00 46.02 43.63 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 0.78 1.03 -2.84 4.61 0.00 -1.93 -3.37 119.26 117.54 2kl3 h ALA 67 Ca -0.04 -0.42 -0.28 0.00 0.00 0.00 0.00 54.91 54.17 2kl3 h ALA 67 Cb 0.16 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 17.77 2kl3 h ALA 67 CO 0.07 0.58 -0.33 0.20 0.00 0.00 0.00 179.25 179.77 2kl3 s GLY 68 N -4.39 1.51 0.12 0.00 0.00 -1.26 -4.79 107.32 98.51 2kl3 s GLY 68 Ca -0.01 -1.57 -0.21 0.00 0.00 0.00 0.00 44.72 42.93 2kl3 s GLY 68 CO 0.72 -1.12 1.69 -1.80 0.00 0.00 0.00 173.10 172.59 2kl3 h ASP 69 N 2.24 -0.27 0.09 1.64 3.58 -1.91 -1.30 116.42 120.50 2kl3 h ASP 69 Ca -0.29 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.24 2kl3 h ASP 69 Cb 1.24 0.15 -0.02 0.00 1.72 0.00 0.00 39.33 42.42 2kl3 h ASP 69 CO 0.41 -0.11 -0.16 -0.08 -2.88 0.00 0.00 179.24 176.41 2kl3 h GLU 70 N -0.08 -0.30 -0.33 0.28 4.81 -1.99 -0.71 114.58 116.26 2kl3 h GLU 70 Ca 0.08 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2kl3 h GLU 70 Cb 0.20 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 2kl3 h GLU 70 CO -0.19 -0.20 0.17 0.37 -0.73 0.00 0.00 179.01 178.43 2kl3 h GLN 71 N -0.31 0.35 0.20 1.92 4.15 -1.95 -0.18 115.11 119.29 2kl3 h GLN 71 Ca 0.02 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.43 2kl3 h GLN 71 Cb 0.33 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 2kl3 h GLN 71 CO -0.09 0.23 -0.23 1.15 -1.93 0.00 0.00 178.83 177.96 2kl3 h THR 72 N 0.36 0.49 -0.40 2.39 2.02 -1.06 -2.14 112.91 114.57 2kl3 h THR 72 Ca 0.13 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.19 2kl3 h THR 72 Cb 0.03 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 2kl3 h THR 72 CO -0.08 0.00 -0.25 -1.28 0.37 0.00 0.00 175.52 174.28 2kl3 h SER 73 N -0.48 0.85 -0.37 4.18 0.87 -0.98 -2.72 113.55 114.89 2kl3 h SER 73 Ca 0.01 -0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.22 2kl3 h SER 73 Cb 0.46 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 2kl3 h SER 73 CO -0.08 1.06 0.16 -0.61 -0.53 0.00 0.00 176.83 176.84 2kl3 h GLN 74 N 0.71 0.55 -0.25 2.24 4.15 -0.98 -1.62 115.11 119.92 2kl3 h GLN 74 Ca 0.09 -0.09 0.03 0.00 0.77 0.00 0.00 58.65 59.45 2kl3 h GLN 74 Cb 0.79 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.35 2kl3 h GLN 74 CO 0.07 0.51 0.05 0.00 -1.93 0.00 0.00 178.83 177.53 2kl3 h ALA 75 N 1.01 0.26 -0.99 3.38 0.00 -1.32 -0.96 119.26 120.63 2kl3 h ALA 75 Ca 0.13 0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.22 2kl3 h ALA 75 Cb 0.16 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.91 2kl3 h ALA 75 CO -0.01 -0.37 0.62 0.28 0.00 0.00 0.00 179.25 179.77 2kl3 h VAL 76 N 0.15 0.84 -0.13 0.00 2.07 -1.30 -1.14 116.25 116.75 2kl3 h VAL 76 Ca 0.11 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2kl3 h VAL 76 Cb 0.11 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.75 2kl3 h VAL 76 CO -0.15 0.16 0.08 -1.13 0.02 0.00 0.00 177.57 176.56 2kl3 h ASN 77 N 0.89 0.15 -0.73 0.57 -1.24 -0.33 -2.32 115.58 112.57 2kl3 h ASN 77 Ca 0.52 -0.02 0.05 0.00 0.71 0.00 0.00 56.30 57.55 2kl3 h ASN 77 Cb 0.65 -0.04 -0.04 0.00 0.73 0.00 0.00 38.32 39.62 2kl3 h ASN 77 CO -0.29 0.13 0.48 -0.07 -1.29 0.00 0.00 177.43 176.39 2kl3 h LEU 78 N 0.15 0.73 0.19 0.34 3.38 -0.10 0.18 115.31 120.17 2kl3 h LEU 78 Ca 0.05 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2kl3 h LEU 78 Cb 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2kl3 h LEU 78 CO -0.01 0.49 -0.09 -0.07 0.09 0.00 0.00 178.44 178.85 2kl3 h LEU 79 N 0.84 -0.21 -1.41 1.67 3.38 -1.04 -1.24 115.31 117.31 2kl3 h LEU 79 Ca 0.30 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2kl3 h LEU 79 Cb 0.14 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2kl3 h LEU 79 CO -0.09 0.12 -0.23 0.08 0.09 0.00 0.00 178.44 178.40 2kl3 h ARG 80 N -0.56 0.00 0.00 1.13 0.11 -1.06 0.90 114.38 114.90 2kl3 h ARG 80 Ca -0.03 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.02 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 0.23 -0.16 0.66 0.10 0.00 0.00 179.97 180.85 2kl3 h SER 81 N 0.00 0.00 0.70 0.08 4.64 -0.63 -2.33 113.55 116.01 2kl3 h SER 81 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kl3 h SER 81 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2kl3 h SER 81 CO 0.03 0.16 -0.13 0.00 -0.87 0.00 0.00 176.83 176.01 2kl3 n ALA 82 N -2.18 2.71 0.00 5.18 0.00 0.15 -4.92 120.51 121.45 2kl3 n ALA 82 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2kl3 n ALA 82 Cb 0.42 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 1.43 0.80 3.62 0.00 0.00 -0.63 -5.07 105.19 105.35 2kl3 n GLY 83 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 1.68 -0.07 1.61 0.40 -0.28 -4.87 117.98 114.45 2kl3 s PHE 84 Ca 0.00 0.41 -0.24 0.00 -0.60 0.00 0.00 56.93 56.50 2kl3 s PHE 84 Cb 0.00 -4.04 -0.20 0.00 0.51 0.00 0.00 43.02 39.29 2kl3 s PHE 84 CO 0.00 -3.61 0.91 0.93 0.70 0.00 0.00 175.22 174.14 2kl3 h GLU 85 N 12.26 -0.07 -4.44 0.44 5.08 -1.30 -3.33 114.58 123.22 2kl3 h GLU 85 Ca -0.38 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.24 2kl3 h GLU 85 Cb 1.19 0.02 -0.21 0.00 0.50 0.00 0.00 28.75 30.25 2kl3 h GLU 85 CO 0.99 0.54 0.99 -1.01 -1.00 0.00 0.00 179.01 179.52 2kl3 s HIS 86 N -3.17 3.67 -0.02 4.33 3.76 -1.07 -4.97 115.29 117.82 2kl3 s HIS 86 Ca -0.15 -2.18 0.01 0.00 -0.15 0.00 0.00 55.06 52.59 2kl3 s HIS 86 Cb -0.00 -4.16 0.02 0.00 1.11 0.00 0.00 32.58 29.54 2kl3 s HIS 86 CO 0.58 -1.27 -0.02 0.08 -0.85 0.00 0.00 174.74 173.25 2kl3 s VAL 87 N 0.92 0.28 0.01 -0.90 1.01 -1.26 0.02 120.40 120.47 2kl3 s VAL 87 Ca 0.37 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.37 2kl3 s VAL 87 Cb -0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 2kl3 s VAL 87 CO -0.04 0.13 -0.17 -0.55 0.00 0.00 0.00 175.10 174.48 2kl3 s SER 88 N 0.58 2.00 -0.17 3.32 0.15 0.53 -4.86 113.70 115.24 2kl3 s SER 88 Ca -0.06 -0.37 -0.18 0.00 0.70 0.00 0.00 55.95 56.04 2kl3 s SER 88 Cb -0.09 -0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 63.99 2kl3 s SER 88 CO -0.01 0.17 0.48 -1.83 1.20 0.00 0.00 173.24 173.25 2kl3 s GLU 89 N -0.67 4.24 -0.17 5.44 -1.05 -0.84 -1.51 118.70 124.15 2kl3 s GLU 89 Ca 0.06 0.38 -0.28 0.00 -0.15 0.00 0.00 54.97 54.98 2kl3 s GLU 89 Cb -0.07 -3.51 -0.01 0.00 -0.44 0.00 0.00 34.13 30.10 2kl3 s GLU 89 CO 0.00 -0.02 0.95 -1.17 0.95 0.00 0.00 175.26 175.97 2kl3 s LEU 90 N 1.23 4.18 0.44 1.83 2.96 -0.27 -1.03 118.68 128.02 2kl3 s LEU 90 Ca 0.24 1.35 -0.22 0.00 -0.22 0.00 0.00 54.13 55.28 2kl3 s LEU 90 Cb -0.15 -3.43 -0.09 0.00 0.50 0.00 0.00 46.19 43.02 2kl3 s LEU 90 CO 0.09 -0.50 1.04 -0.54 -1.32 0.00 0.00 176.35 175.13 2kl3 s LYS 91 N 2.42 3.97 0.00 1.98 1.02 0.53 -4.23 119.74 125.43 2kl3 s LYS 91 Ca 0.43 1.43 0.00 0.00 0.02 0.00 0.00 55.97 57.86 2kl3 s LYS 91 Cb -0.17 -2.30 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 2kl3 s LYS 91 CO 0.12 -0.30 0.00 0.41 -0.92 0.00 0.00 175.35 174.67 2kl3 n GLY 92 N 0.02 2.13 0.00 -3.33 0.00 -1.26 -3.60 105.19 99.15 2kl3 n GLY 92 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.09 0.12 -0.02 0.00 -1.26 -4.65 105.19 99.47 2kl3 n GLY 93 Ca 0.00 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 43.90 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 0.28 -1.39 0.99 5.85 -1.87 -1.33 115.31 117.84 2kl3 h LEU 94 Ca 0.00 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.36 2kl3 h LEU 94 Cb 0.00 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 2kl3 h LEU 94 CO 0.00 0.60 0.43 0.00 -0.34 0.00 0.00 178.44 179.13 2kl3 h ALA 95 N 0.69 1.61 -0.37 1.25 0.00 -1.93 0.59 119.26 121.10 2kl3 h ALA 95 Ca 0.03 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2kl3 h ALA 95 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2kl3 h ALA 95 CO 0.02 0.33 -0.02 0.00 0.00 0.00 0.00 179.25 179.57 2kl3 h ALA 96 N 1.61 0.50 -0.87 0.00 0.00 -1.80 0.19 119.26 118.90 2kl3 h ALA 96 Ca 0.26 -0.27 0.13 0.00 0.00 0.00 0.00 54.91 55.03 2kl3 h ALA 96 Cb 0.03 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 2kl3 h ALA 96 CO -0.07 0.30 0.56 2.35 0.00 0.00 0.00 179.25 182.39 2kl3 h TRP 97 N 0.48 0.83 0.04 0.00 2.91 -0.06 -0.78 115.95 119.37 2kl3 h TRP 97 Ca 0.10 0.02 -0.23 0.00 1.13 0.00 0.00 58.89 59.92 2kl3 h TRP 97 Cb 0.50 -0.26 -0.00 0.00 -0.51 0.00 0.00 29.16 28.88 2kl3 h TRP 97 CO 0.04 0.34 -1.00 0.87 -1.03 0.00 0.00 178.44 177.66 2kl3 h LYS 98 N 0.73 0.27 0.00 2.65 1.57 -0.66 0.23 116.57 121.36 2kl3 h LYS 98 Ca 0.42 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2kl3 h LYS 98 Cb 0.61 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 2kl3 h LYS 98 CO -0.19 1.07 -0.02 0.00 -0.57 0.00 0.00 179.45 179.74 2kl3 h ALA 99 N 0.80 1.96 -0.29 3.86 0.00 0.82 0.69 119.26 127.10 2kl3 h ALA 99 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2kl3 h ALA 99 Cb 1.66 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2kl3 h ALA 99 CO 0.16 0.03 0.00 0.44 0.00 0.00 0.00 179.25 179.88 2kl3 n ILE 100 N -4.51 0.37 -3.04 0.00 -5.35 -0.76 -4.94 119.36 101.13 2kl3 n ILE 100 Ca -0.03 -0.49 -0.13 0.00 -0.27 0.00 0.00 62.75 61.83 2kl3 n ILE 100 Cb 0.11 0.48 0.05 0.00 -1.74 0.00 0.00 39.64 38.54 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 1.23 0.03 3.84 3.28 0.00 0.23 -5.03 105.19 108.77 2kl3 n GLY 101 Ca 0.16 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.41 2.36 0.20 -0.02 0.00 0.80 -5.01 107.32 102.24 2kl3 s GLY 102 Ca 0.22 0.18 -0.30 0.00 0.00 0.00 0.00 44.72 44.82 2kl3 s GLY 102 CO 0.43 0.41 1.25 2.56 0.00 0.00 0.00 173.10 177.75 2kl3 s PRO 103 N -3.04 4.44 0.15 2.90 0.04 -1.26 -4.67 135.00 133.55 2kl3 s PRO 103 Ca 0.57 1.97 -0.01 0.00 0.04 0.00 0.00 61.00 63.57 2kl3 s PRO 103 Cb -0.10 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 2kl3 s PRO 103 CO 0.16 -0.16 0.06 0.95 0.04 0.00 0.00 177.00 178.04 2kl3 s THR 104 N -0.02 0.18 0.17 1.26 -4.23 -1.26 -2.01 115.64 109.72 2kl3 s THR 104 Ca 0.54 -1.93 -0.17 0.00 -1.18 0.00 0.00 61.69 58.95 2kl3 s THR 104 Cb -0.35 -2.13 0.03 0.00 1.34 0.00 0.00 72.50 71.39 2kl3 s THR 104 CO 0.38 -0.39 0.48 -1.83 -0.54 0.00 0.00 174.62 172.72 2kl3 s GLU 105 N -4.04 1.25 0.00 3.99 -1.05 -0.21 -4.70 118.70 113.95 2kl3 s GLU 105 Ca 0.26 -0.78 0.00 0.00 -0.15 0.00 0.00 54.97 54.30 2kl3 s GLU 105 Cb 0.07 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.27 2kl3 s GLU 105 CO 0.04 -0.52 0.00 0.41 0.95 0.00 0.00 175.26 176.14 2kl3 n GLY 106 N -0.30 -1.75 0.07 -3.83 0.00 -1.26 -0.33 105.19 97.78 2kl3 n GLY 106 Ca -0.13 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.34 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 0.00 1.09 0.00 -0.61 2.04 -0.60 -3.34 117.51 116.09 2kl3 h ILE 107 Ca 0.00 -1.78 -0.04 0.00 1.00 0.00 0.00 64.86 64.05 2kl3 h ILE 107 Cb 0.00 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 2kl3 h ILE 107 CO 0.00 0.36 -0.17 0.40 0.00 0.00 0.00 178.15 178.74 2kl3 h ILE 108 N -0.99 0.44 0.00 -0.67 5.03 -1.07 -2.79 117.51 117.47 2kl3 h ILE 108 Ca -0.00 -0.93 0.00 0.00 -0.12 0.00 0.00 64.86 63.80 2kl3 h ILE 108 Cb 0.61 1.67 0.00 0.00 -3.03 0.00 0.00 36.82 36.06 2kl3 h ILE 108 CO 0.00 0.17 0.00 -0.62 -0.68 0.00 0.00 178.15 177.02 2kl3 n GLU 109 N -3.36 0.06 0.00 2.37 -0.58 -1.04 -1.04 120.64 117.06 2kl3 n GLU 109 Ca -0.00 0.53 0.14 0.00 -0.42 0.00 0.00 57.16 57.41 2kl3 n GLU 109 Cb 0.38 -1.69 0.55 0.00 -0.57 0.00 0.00 31.44 30.11 2kl3 n GLU 109 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2kl3 n SER 110 N -1.83 1.34 -4.03 1.62 7.64 -1.05 -4.93 113.62 112.38 2kl3 n SER 110 Ca -0.00 -1.41 -0.08 0.00 1.01 0.00 0.00 58.87 58.40 2kl3 n SER 110 Cb 0.04 0.01 -0.09 0.00 -1.01 0.00 0.00 64.21 63.15 2kl3 n SER 110 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kl3 s ARG 111 N -2.04 0.66 -0.14 1.43 1.70 -0.21 -5.16 118.95 115.19 2kl3 s ARG 111 Ca 0.38 -1.14 -0.12 0.00 -0.47 0.00 0.00 55.73 54.38 2kl3 s ARG 111 Cb 0.21 0.24 -0.05 0.00 -0.57 0.00 0.00 34.95 34.78 2kl3 s ARG 111 CO 0.35 -0.15 0.25 0.95 -1.08 0.00 0.00 175.30 175.62 2kl3 s THR 112 N -3.84 5.33 0.00 4.99 -4.23 -1.26 -4.98 115.64 111.65 2kl3 s THR 112 Ca 0.06 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 2kl3 s THR 112 Cb 0.07 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.33 2kl3 s THR 112 CO -0.10 0.46 1.22 -2.65 -0.54 0.00 0.00 174.62 173.01 2kl3 n PRO 113 N 3.13 0.78 -3.65 3.99 -0.02 -1.26 -4.74 135.00 133.22 2kl3 n PRO 113 Ca -0.14 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.32 2kl3 n PRO 113 Cb 0.52 -1.11 -0.03 0.00 -0.02 0.00 0.00 33.50 32.86 2kl3 n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kl3 s ALA 114 N 0.35 -2.17 0.00 3.55 0.00 -1.26 -5.19 121.76 117.05 2kl3 s ALA 114 Ca 0.00 1.91 0.00 0.00 0.00 0.00 0.00 51.96 53.87 2kl3 s ALA 114 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.13 2kl3 s ALA 114 CO 0.00 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2kl3 n GLY 115 N 0.25 3.46 2.34 0.00 0.00 -1.26 -5.14 105.19 104.84 2kl3 n GLY 115 Ca 0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 2kl3 n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kl3 n ALA 116 N -0.24 -3.41 -3.57 4.61 0.00 -1.26 -5.10 120.51 111.54 2kl3 n ALA 116 Ca 0.00 1.79 -0.00 0.00 0.00 0.00 0.00 53.44 55.23 2kl3 n ALA 116 Cb 0.00 -3.55 -0.06 0.00 0.00 0.00 0.00 19.45 15.84 2kl3 n ALA 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kl3 s ASP 117 N -0.53 -0.39 -0.16 0.00 2.15 -1.26 -5.18 116.67 111.30 2kl3 s ASP 117 Ca -0.21 0.60 -0.09 0.00 0.43 0.00 0.00 52.55 53.28 2kl3 s ASP 117 Cb 0.01 1.24 0.06 0.00 -0.30 0.00 0.00 42.92 43.93 2kl3 s ASP 117 CO 0.56 -0.09 0.40 -0.62 -0.17 0.00 0.00 175.17 175.24 2kl3 s ASP 118 N 1.51 -0.49 -0.02 -0.34 2.15 -1.26 -5.02 116.67 113.20 2kl3 s ASP 118 Ca -0.07 0.86 0.04 0.00 0.43 0.00 0.00 52.55 53.81 2kl3 s ASP 118 Cb -0.04 0.74 0.08 0.00 -0.30 0.00 0.00 42.92 43.41 2kl3 s ASP 118 CO -0.14 -0.19 1.06 0.00 -0.17 0.00 0.00 175.17 175.73 2kl3 n TYR 119 N 4.27 0.09 -2.03 -5.34 9.36 -1.26 -4.95 117.16 117.30 2kl3 n TYR 119 Ca -0.23 -0.55 -0.27 0.00 3.32 0.00 0.00 57.90 60.17 2kl3 n TYR 119 Cb 0.55 -0.06 -0.06 0.00 -0.63 0.00 0.00 39.34 39.14 2kl3 n TYR 119 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2kl3 s ASN 120 N -1.19 4.96 0.33 2.98 2.47 -1.26 -4.90 114.94 118.32 2kl3 s ASN 120 Ca 0.07 -1.25 0.09 0.00 0.42 0.00 0.00 52.86 52.19 2kl3 s ASN 120 Cb 0.05 -2.58 -0.06 0.00 -1.45 0.00 0.00 41.25 37.21 2kl3 s ASN 120 CO 0.03 -3.07 -0.10 0.68 -3.72 0.00 0.00 177.10 170.92 2kl3 s VAL 121 N 11.10 2.17 0.09 -5.21 -7.23 -1.26 -5.15 120.40 114.92 2kl3 s VAL 121 Ca 0.70 -2.21 -0.14 0.00 -1.81 0.00 0.00 61.98 58.52 2kl3 s VAL 121 Cb -0.03 -2.58 -0.06 0.00 0.56 0.00 0.00 36.38 34.27 2kl3 s VAL 121 CO 0.09 -0.24 0.50 0.68 -0.31 0.00 0.00 175.10 175.81 2kl3 s VAL 122 N -2.67 4.91 -0.39 1.32 -7.23 -1.26 -5.07 120.40 110.01 2kl3 s VAL 122 Ca 0.32 0.82 0.06 0.00 -1.81 0.00 0.00 61.98 61.37 2kl3 s VAL 122 Cb 0.02 -3.74 0.17 0.00 0.56 0.00 0.00 36.38 33.39 2kl3 s VAL 122 CO 0.16 0.37 0.52 -0.55 -0.31 0.00 0.00 175.10 175.28 2kl3 s SER 123 N -1.51 -0.39 -0.30 4.85 0.15 -1.26 -5.12 113.70 110.12 2kl3 s SER 123 Ca 0.33 -1.14 -0.16 0.00 0.70 0.00 0.00 55.95 55.67 2kl3 s SER 123 Cb -0.16 1.37 0.21 0.00 -1.71 0.00 0.00 66.02 65.72 2kl3 s SER 123 CO 0.18 -0.21 1.25 -0.60 1.20 0.00 0.00 173.24 175.06 2kl3 s ARG 124 N 1.65 0.06 -0.19 5.44 3.52 -1.26 -5.17 118.95 122.99 2kl3 s ARG 124 Ca 0.17 0.11 -0.10 0.00 -0.13 0.00 0.00 55.73 55.78 2kl3 s ARG 124 Cb -0.09 0.02 0.07 0.00 -1.56 0.00 0.00 34.95 33.39 2kl3 s ARG 124 CO -0.05 -0.01 0.46 -1.17 -0.81 0.00 0.00 175.30 173.71 2kl3 s LEU 125 N 1.17 -0.34 0.00 -0.88 2.96 -1.26 -5.16 118.68 115.17 2kl3 s LEU 125 Ca -0.07 1.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.85 2kl3 s LEU 125 Cb -0.02 1.51 0.00 0.00 0.50 0.00 0.00 46.19 48.18 2kl3 s LEU 125 CO -0.11 -0.21 0.00 -1.84 -1.32 0.00 0.00 176.35 172.88 2kl3 n GLU 126 N 4.52 0.00 -0.97 1.98 0.28 -1.26 -5.12 120.64 120.07 2kl3 n GLU 126 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.80 2kl3 n GLU 126 Cb 0.54 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.41 2kl3 n GLU 126 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2kl3 n HIS 127 N 0.00 0.00 -3.69 -1.84 8.25 -1.26 -5.12 115.22 111.56 2kl3 n HIS 127 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 2kl3 n HIS 127 Cb 0.00 -0.97 -0.17 0.00 1.12 0.00 0.00 29.99 29.97 2kl3 n HIS 127 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kl3 s HIS 128 N -0.31 0.48 -0.29 4.41 3.76 -1.26 -5.13 115.29 116.95 2kl3 s HIS 128 Ca 0.00 -0.33 -0.15 0.00 -0.15 0.00 0.00 55.06 54.43 2kl3 s HIS 128 Cb 0.00 -0.77 0.13 0.00 1.11 0.00 0.00 32.58 33.05 2kl3 s HIS 128 CO 0.00 -0.45 0.86 -3.38 -0.85 0.00 0.00 174.74 170.92 2kl3 s HIS 129 N 2.04 -0.80 -0.29 1.40 -3.43 -1.26 -5.17 115.29 107.78 2kl3 s HIS 129 Ca 0.02 1.56 -0.16 0.00 -0.80 0.00 0.00 55.06 55.68 2kl3 s HIS 129 Cb -0.15 0.48 0.13 0.00 -1.43 0.00 0.00 32.58 31.62 2kl3 s HIS 129 CO -0.07 -0.40 0.92 -3.38 -2.00 0.00 0.00 174.74 169.82 2kl3 s HIS 130 N 1.69 -0.66 -0.30 0.38 -3.43 -1.26 -5.15 115.29 106.55 2kl3 s HIS 130 Ca -0.08 1.32 -0.06 0.00 -0.80 0.00 0.00 55.06 55.44 2kl3 s HIS 130 Cb -0.05 0.40 0.17 0.00 -1.43 0.00 0.00 32.58 31.67 2kl3 s HIS 130 CO -0.17 -0.33 0.69 -3.38 -2.00 0.00 0.00 174.74 169.55 2kl3 s HIS 131 N 1.38 -1.36 -2.00 0.38 -3.43 -1.26 -5.38 115.29 103.63 2kl3 s HIS 131 Ca -0.09 1.70 0.23 0.00 -0.80 0.00 0.00 55.06 56.10 2kl3 s HIS 131 Cb -0.04 0.57 1.38 0.00 -1.43 0.00 0.00 32.58 33.06 2kl3 s HIS 131 CO -0.16 -0.72 1.75 1.58 -2.00 0.00 0.00 174.74 175.19