#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 2.91 0.44 2.12 8.01 -1.26 -4.95 118.70 125.98 2kl3 s GLU 2 Ca 0.00 1.29 0.11 0.00 0.01 0.00 0.00 54.97 56.38 2kl3 s GLU 2 Cb 0.00 -1.97 1.00 0.00 -4.31 0.00 0.00 34.13 28.84 2kl3 s GLU 2 CO 0.00 -1.15 2.07 -1.35 0.01 0.00 0.00 175.26 174.84 2kl3 h PRO 3 N 0.00 0.37 -4.69 0.39 0.11 -1.96 -3.39 132.00 122.83 2kl3 h PRO 3 Ca -0.46 -0.02 -0.65 0.00 0.11 0.00 0.00 66.00 64.97 2kl3 h PRO 3 Cb 1.24 -0.08 -0.37 0.00 0.11 0.00 0.00 31.00 31.89 2kl3 h PRO 3 CO 0.55 0.25 -0.79 -0.65 -0.21 0.00 0.00 178.00 177.14 2kl3 s GLN 4 N -5.36 2.01 -0.02 1.05 -0.21 -1.26 -0.99 119.66 114.87 2kl3 s GLN 4 Ca -0.07 -1.25 -0.15 0.00 0.02 0.00 0.00 55.36 53.90 2kl3 s GLN 4 Cb 0.18 -2.80 -0.05 0.00 1.00 0.00 0.00 33.01 31.33 2kl3 s GLN 4 CO 0.72 -0.59 0.42 0.45 -2.12 0.00 0.00 175.29 174.16 2kl3 s SER 5 N 1.19 6.78 0.55 5.90 0.15 0.46 -4.91 113.70 123.82 2kl3 s SER 5 Ca -0.07 0.93 -0.16 0.00 0.70 0.00 0.00 55.95 57.34 2kl3 s SER 5 Cb -0.20 -2.26 -0.06 0.00 -1.71 0.00 0.00 66.02 61.80 2kl3 s SER 5 CO -0.06 0.26 1.02 -0.62 1.20 0.00 0.00 173.24 175.05 2kl3 s ASP 6 N -0.73 6.22 0.06 5.45 -1.08 -1.26 -0.36 116.67 124.97 2kl3 s ASP 6 Ca 0.24 1.68 -0.26 0.00 -0.52 0.00 0.00 52.55 53.69 2kl3 s ASP 6 Cb -0.16 -2.52 -0.17 0.00 -1.46 0.00 0.00 42.92 38.61 2kl3 s ASP 6 CO 0.13 -0.87 1.60 0.00 0.52 0.00 0.00 175.17 176.55 2kl3 h ALA 7 N 0.66 -0.25 0.00 3.66 0.00 -1.92 -2.72 119.26 118.69 2kl3 h ALA 7 Ca -0.47 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 2kl3 h ALA 7 Cb 1.20 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2kl3 h ALA 7 CO 0.60 -0.59 -0.34 1.12 0.00 0.00 0.00 179.25 180.04 2kl3 h HIS 8 N -0.35 0.00 -0.11 0.00 2.07 -1.94 -1.11 115.15 113.71 2kl3 h HIS 8 Ca -0.03 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.53 2kl3 h HIS 8 Cb 0.27 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.21 2kl3 h HIS 8 CO -0.04 0.34 -0.10 0.28 -3.07 0.00 0.00 177.93 175.35 2kl3 h VAL 9 N 0.00 0.72 -0.30 6.12 2.07 -1.93 0.14 116.25 123.06 2kl3 h VAL 9 Ca -0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2kl3 h VAL 9 Cb 0.95 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2kl3 h VAL 9 CO 0.04 0.00 -0.02 0.25 0.02 0.00 0.00 177.57 177.86 2kl3 h LEU 10 N -0.11 0.55 -0.27 2.57 5.85 -1.25 -1.26 115.31 121.38 2kl3 h LEU 10 Ca 0.08 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.51 2kl3 h LEU 10 Cb 0.22 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 2kl3 h LEU 10 CO -0.18 0.75 0.02 0.50 -0.34 0.00 0.00 178.44 179.19 2kl3 h LYS 11 N 0.34 0.11 -0.00 1.25 3.64 -1.08 0.12 116.57 120.96 2kl3 h LYS 11 Ca 0.08 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.28 2kl3 h LYS 11 Cb 0.48 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 2kl3 h LYS 11 CO 0.02 0.07 -0.81 0.77 -2.27 0.00 0.00 179.45 177.23 2kl3 h SER 12 N 0.11 0.09 -0.24 4.20 0.02 -0.74 -1.50 113.55 115.50 2kl3 h SER 12 Ca 0.13 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 2kl3 h SER 12 Cb 0.16 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2kl3 h SER 12 CO -0.20 0.86 -0.01 -0.09 -1.14 0.00 0.00 176.83 176.25 2kl3 h ARG 13 N 0.04 0.55 0.47 3.45 2.43 -0.97 0.82 114.38 121.17 2kl3 h ARG 13 Ca -0.02 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 2kl3 h ARG 13 Cb 1.42 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 2kl3 h ARG 13 CO 0.11 0.59 -0.22 1.25 -1.51 0.00 0.00 179.97 180.19 2kl3 h LEU 14 N 0.53 -0.53 0.05 3.80 6.46 -0.08 0.24 115.31 125.78 2kl3 h LEU 14 Ca 0.11 -0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2kl3 h LEU 14 Cb 0.36 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.43 2kl3 h LEU 14 CO 0.01 -0.21 -0.03 -0.33 -0.62 0.00 0.00 178.44 177.27 2kl3 h GLU 15 N -0.88 -0.07 0.05 1.25 5.08 -1.26 -3.42 114.58 115.33 2kl3 h GLU 15 Ca -0.06 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.94 2kl3 h GLU 15 Cb 0.58 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 2kl3 h GLU 15 CO 0.11 0.47 -2.18 0.91 -1.00 0.00 0.00 179.01 177.32 2kl3 n TRP 16 N -4.76 0.63 0.00 4.33 7.02 0.25 -4.94 117.44 119.96 2kl3 n TRP 16 Ca -0.07 0.15 0.00 0.00 -1.02 0.00 0.00 57.50 56.57 2kl3 n TRP 16 Cb 0.28 -1.09 0.00 0.00 -2.42 0.00 0.00 31.31 28.08 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 1.99 1.33 2.79 6.99 0.00 0.82 -4.95 105.19 114.16 2kl3 n GLY 17 Ca -0.35 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 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 0.65 0.29 -0.04 1.61 2.12 0.82 -4.94 118.70 119.22 2kl3 s GLU 18 Ca 0.00 0.13 0.02 0.00 0.36 0.00 0.00 54.97 55.48 2kl3 s GLU 18 Cb 0.00 -0.57 0.12 0.00 0.26 0.00 0.00 34.13 33.94 2kl3 s GLU 18 CO 0.00 -0.20 0.78 -0.35 -0.54 0.00 0.00 175.26 174.95 2kl3 n PRO 19 N 4.50 1.50 -1.38 4.30 -0.04 -1.26 -4.58 135.00 138.05 2kl3 n PRO 19 Ca -0.19 -0.46 -0.30 0.00 -0.04 0.00 0.00 63.50 62.50 2kl3 n PRO 19 Cb 0.50 -1.53 -0.07 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.13 6.96 -3.08 0.55 0.00 -1.26 -4.85 120.51 118.96 2kl3 n ALA 20 Ca 0.05 -3.11 -0.11 0.00 0.00 0.00 0.00 53.44 50.28 2kl3 n ALA 20 Cb 0.45 -2.81 -0.04 0.00 0.00 0.00 0.00 19.45 17.04 2kl3 n ALA 20 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2kl3 s PHE 21 N 0.71 -0.27 0.07 0.00 -0.12 -1.26 -4.66 117.98 112.45 2kl3 s PHE 21 Ca 0.65 -0.02 0.08 0.00 -0.05 0.00 0.00 56.93 57.59 2kl3 s PHE 21 Cb 0.25 0.32 -0.03 0.00 -0.63 0.00 0.00 43.02 42.92 2kl3 s PHE 21 CO -0.07 -0.73 -0.21 -0.08 -0.05 0.00 0.00 175.22 174.08 2kl3 s THR 22 N -3.76 2.60 -0.19 -4.49 -1.32 -0.77 -5.02 115.64 102.68 2kl3 s THR 22 Ca 0.02 -1.38 -0.02 0.00 -1.21 0.00 0.00 61.69 59.10 2kl3 s THR 22 Cb 0.01 -2.11 -0.00 0.00 -1.51 0.00 0.00 72.50 68.88 2kl3 s THR 22 CO -0.12 0.25 -0.09 -0.63 -2.21 0.00 0.00 174.62 171.82 2kl3 s ILE 23 N -0.97 3.05 -0.20 5.08 1.01 -1.26 -0.41 121.20 127.50 2kl3 s ILE 23 Ca 0.15 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 2kl3 s ILE 23 Cb -0.10 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 2kl3 s ILE 23 CO 0.06 0.47 -0.03 -0.76 0.00 0.00 0.00 174.94 174.67 2kl3 s LEU 24 N 1.21 3.04 -0.64 2.97 1.43 0.04 -0.16 118.68 126.56 2kl3 s LEU 24 Ca 0.02 -0.30 -0.22 0.00 -1.03 0.00 0.00 54.13 52.60 2kl3 s LEU 24 Cb -0.14 -1.76 0.07 0.00 0.03 0.00 0.00 46.19 44.38 2kl3 s LEU 24 CO -0.03 0.04 0.94 -0.62 0.23 0.00 0.00 176.35 176.90 2kl3 s ASP 25 N 1.13 6.19 -0.04 2.29 -1.08 -0.21 -1.92 116.67 123.03 2kl3 s ASP 25 Ca 0.02 -0.97 0.17 0.00 -0.52 0.00 0.00 52.55 51.25 2kl3 s ASP 25 Cb -0.15 -2.41 0.55 0.00 -1.46 0.00 0.00 42.92 39.45 2kl3 s ASP 25 CO 0.00 -1.39 1.44 1.33 0.52 0.00 0.00 175.17 177.07 2kl3 n VAL 26 N 5.91 1.08 0.07 1.11 0.24 -1.04 -3.31 118.33 122.38 2kl3 n VAL 26 Ca -0.04 -0.85 -0.03 0.00 -2.04 0.00 0.00 64.34 61.38 2kl3 n VAL 26 Cb 0.45 0.24 -0.01 0.00 -1.47 0.00 0.00 33.84 33.05 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 3.38 -0.19 0.00 7.34 3.08 -1.83 -2.47 114.38 123.69 2kl3 h ARG 27 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2kl3 h ARG 27 Cb 0.97 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.06 2kl3 h ARG 27 CO 0.08 -0.13 0.00 -3.47 -1.07 0.00 0.00 179.97 175.38 2kl3 n ASP 28 N -3.08 0.00 -0.16 7.04 2.03 -1.26 -4.47 116.55 116.65 2kl3 n ASP 28 Ca -0.02 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.23 2kl3 n ASP 28 Cb 0.08 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.59 2kl3 n ASP 28 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2kl3 h ARG 29 N 0.00 0.92 0.00 -0.67 9.65 -1.92 0.24 114.38 122.60 2kl3 h ARG 29 Ca 0.00 -0.25 -0.00 0.00 -1.10 0.00 0.00 59.98 58.63 2kl3 h ARG 29 Cb 0.00 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.47 2kl3 h ARG 29 CO 0.00 0.89 -0.01 1.03 2.80 0.00 0.00 179.97 184.68 2kl3 h SER 30 N 0.86 0.00 -0.50 -3.80 0.87 -1.99 -2.64 113.55 106.35 2kl3 h SER 30 Ca 0.17 -0.82 0.10 0.00 -1.23 0.00 0.00 61.79 60.01 2kl3 h SER 30 Cb 0.44 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.37 2kl3 h SER 30 CO 0.02 0.83 0.35 0.74 -0.53 0.00 0.00 176.83 178.23 2kl3 h THR 31 N -0.82 0.86 0.03 2.23 2.02 -1.93 0.12 112.91 115.42 2kl3 h THR 31 Ca -0.00 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.11 2kl3 h THR 31 Cb 0.83 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2kl3 h THR 31 CO 0.00 0.04 -0.11 0.22 0.37 0.00 0.00 175.52 176.04 2kl3 h TYR 32 N 0.24 -0.29 -0.82 3.16 3.20 -0.49 -2.73 116.97 119.24 2kl3 h TYR 32 Ca 0.24 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.13 2kl3 h TYR 32 Cb 0.61 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.96 2kl3 h TYR 32 CO -0.00 -0.17 0.54 -0.91 -1.64 0.00 0.00 178.16 175.97 2kl3 h ASN 33 N -0.21 0.91 -0.37 -2.11 2.35 -0.46 -2.90 115.58 112.80 2kl3 h ASN 33 Ca 0.03 -0.02 0.07 0.00 -0.55 0.00 0.00 56.30 55.83 2kl3 h ASN 33 Cb 0.24 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.34 2kl3 h ASN 33 CO -0.09 0.65 0.01 0.44 -1.65 0.00 0.00 177.43 176.78 2kl3 h ASP 34 N 1.08 -0.14 -2.88 5.81 5.19 -0.99 0.39 116.42 124.89 2kl3 h ASP 34 Ca 0.31 0.08 0.09 0.00 -0.62 0.00 0.00 57.03 56.89 2kl3 h ASP 34 Cb -0.07 0.15 -0.27 0.00 0.18 0.00 0.00 39.33 39.31 2kl3 h ASP 34 CO -0.08 -0.03 0.47 -0.83 -3.12 0.00 0.00 179.24 175.64 2kl3 s GLY 35 N -2.87 -0.05 0.38 2.75 0.00 -1.04 -1.98 107.32 104.50 2kl3 s GLY 35 Ca -0.13 2.92 -0.16 0.00 0.00 0.00 0.00 44.72 47.34 2kl3 s GLY 35 CO 0.71 2.10 0.80 -2.38 0.00 0.00 0.00 173.10 174.33 2kl3 s HIS 36 N 0.58 0.12 0.25 1.90 -3.43 0.31 -4.57 115.29 110.45 2kl3 s HIS 36 Ca -0.01 -0.79 -0.30 0.00 -0.80 0.00 0.00 55.06 53.17 2kl3 s HIS 36 Cb -0.05 0.84 -0.09 0.00 -1.43 0.00 0.00 32.58 31.85 2kl3 s HIS 36 CO -0.10 -1.55 1.01 0.42 -2.00 0.00 0.00 174.74 172.52 2kl3 s ILE 37 N -2.31 3.82 -0.20 -5.38 1.01 -1.26 0.17 121.20 117.05 2kl3 s ILE 37 Ca 0.16 1.83 -0.34 0.00 0.00 0.00 0.00 60.65 62.29 2kl3 s ILE 37 Cb -0.05 -4.16 -0.11 0.00 0.01 0.00 0.00 42.46 38.15 2kl3 s ILE 37 CO 0.11 0.43 2.00 0.80 0.00 0.00 0.00 174.94 178.29 2kl3 n MET 38 N 1.39 1.76 -2.90 2.79 0.00 -0.76 -2.59 117.12 116.81 2kl3 n MET 38 Ca -0.02 0.59 -0.11 0.00 -0.00 0.00 0.00 57.70 58.17 2kl3 n MET 38 Cb 0.46 -2.62 0.05 0.00 0.00 0.00 0.00 33.22 31.10 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 5.15 0.07 4.00 -5.12 0.00 -1.26 -5.03 105.19 102.99 2kl3 n GLY 39 Ca 0.29 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.18 4.53 -0.04 4.61 0.00 -1.07 -4.85 121.76 121.75 2kl3 s ALA 40 Ca 0.13 -1.82 -0.05 0.00 0.00 0.00 0.00 51.96 50.22 2kl3 s ALA 40 Cb -0.06 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 2kl3 s ALA 40 CO 0.39 -0.45 0.19 -1.64 0.00 0.00 0.00 175.76 174.25 2kl3 s MET 41 N -4.41 3.47 -1.11 0.00 -1.94 0.77 -5.01 119.30 111.07 2kl3 s MET 41 Ca 0.55 -0.22 -0.06 0.00 -1.71 0.00 0.00 55.69 54.25 2kl3 s MET 41 Cb -0.08 -3.12 0.29 0.00 2.01 0.00 0.00 34.83 33.93 2kl3 s MET 41 CO 0.34 0.70 1.35 0.00 -0.01 0.00 0.00 175.02 177.39 2kl3 n ALA 42 N 1.26 4.78 -3.47 3.03 0.00 -1.26 -1.04 120.51 123.80 2kl3 n ALA 42 Ca -0.13 -4.72 -0.43 0.00 0.00 0.00 0.00 53.44 48.15 2kl3 n ALA 42 Cb 0.53 -2.43 -0.06 0.00 0.00 0.00 0.00 19.45 17.50 2kl3 n ALA 42 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2kl3 s MET 43 N -2.00 3.01 0.19 0.00 -1.94 -1.21 -4.95 119.30 112.40 2kl3 s MET 43 Ca 0.32 -2.22 -0.30 0.00 -1.71 0.00 0.00 55.69 51.77 2kl3 s MET 43 Cb -0.01 -4.13 -0.08 0.00 2.01 0.00 0.00 34.83 32.62 2kl3 s MET 43 CO 0.03 -1.25 1.19 -1.25 -0.01 0.00 0.00 175.02 173.73 2kl3 s PRO 44 N 0.57 4.50 0.59 2.03 0.04 -1.21 -3.43 135.00 138.09 2kl3 s PRO 44 Ca 0.13 1.87 0.29 0.00 0.04 0.00 0.00 61.00 63.33 2kl3 s PRO 44 Cb -0.19 -3.24 1.28 0.00 0.04 0.00 0.00 34.50 32.40 2kl3 s PRO 44 CO -0.04 -0.07 1.66 0.97 0.04 0.00 0.00 177.00 179.56 2kl3 h ILE 45 N 3.72 0.21 -0.13 0.56 2.10 -1.66 0.58 117.51 122.89 2kl3 h ILE 45 Ca -0.45 0.00 -0.14 0.00 1.08 0.00 0.00 64.86 65.35 2kl3 h ILE 45 Cb 1.21 0.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.30 2kl3 h ILE 45 CO 0.74 0.00 -0.47 -0.33 -1.08 0.00 0.00 178.15 177.01 2kl3 h GLU 46 N 0.00 0.56 -0.05 2.19 5.08 -1.90 -3.25 114.58 117.21 2kl3 h GLU 46 Ca 0.36 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2kl3 h GLU 46 Cb 1.97 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.30 2kl3 h GLU 46 CO -0.00 1.04 0.00 -0.25 -1.00 0.00 0.00 179.01 178.80 2kl3 n ASP 47 N -4.23 2.80 -0.11 1.42 9.92 0.13 -4.81 116.55 121.67 2kl3 n ASP 47 Ca -0.07 -1.93 -0.03 0.00 -0.53 0.00 0.00 54.79 52.23 2kl3 n ASP 47 Cb 0.58 -0.02 -0.03 0.00 -0.64 0.00 0.00 41.12 41.02 2kl3 n ASP 47 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2kl3 h LEU 48 N 4.34 -0.56 -0.14 0.64 5.85 -0.12 0.11 115.31 125.42 2kl3 h LEU 48 Ca 0.00 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.85 2kl3 h LEU 48 Cb 0.92 0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 2kl3 h LEU 48 CO 0.00 -0.06 -0.12 0.58 -0.34 0.00 0.00 178.44 178.49 2kl3 h VAL 49 N -0.01 0.65 -0.21 1.05 2.07 -1.87 0.94 116.25 118.87 2kl3 h VAL 49 Ca 0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 2kl3 h VAL 49 Cb 0.11 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2kl3 h VAL 49 CO -0.24 0.00 0.01 0.44 0.02 0.00 0.00 177.57 177.80 2kl3 h ASP 50 N -0.14 0.27 0.25 0.57 5.19 -1.83 -0.59 116.42 120.14 2kl3 h ASP 50 Ca 0.09 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 2kl3 h ASP 50 Cb 0.28 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.72 2kl3 h ASP 50 CO -0.23 0.32 -0.12 0.03 -3.12 0.00 0.00 179.24 176.12 2kl3 h ARG 51 N 0.30 -0.33 -0.24 3.56 2.47 0.20 -3.26 114.38 117.08 2kl3 h ARG 51 Ca 0.07 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 2kl3 h ARG 51 Cb 0.18 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 2kl3 h ARG 51 CO 0.00 0.03 0.11 0.00 0.56 0.00 0.00 179.97 180.67 2kl3 h ALA 52 N -0.42 0.31 -0.18 0.04 0.00 -0.72 -2.45 119.26 115.84 2kl3 h ALA 52 Ca -0.03 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.83 2kl3 h ALA 52 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2kl3 h ALA 52 CO 0.06 -0.12 0.20 0.66 0.00 0.00 0.00 179.25 180.05 2kl3 h SER 53 N 0.24 0.00 1.28 0.00 4.64 -1.26 0.60 113.55 119.05 2kl3 h SER 53 Ca 0.08 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.31 2kl3 h SER 53 Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 2kl3 h SER 53 CO -0.01 0.00 -0.75 -1.28 -0.87 0.00 0.00 176.83 173.92 2kl3 h SER 54 N 0.00 0.00 0.00 4.97 0.87 -1.48 -3.40 113.55 114.52 2kl3 h SER 54 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2kl3 h SER 54 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2kl3 h SER 54 CO -0.00 0.36 0.00 -0.24 -0.53 0.00 0.00 176.83 176.41 2kl3 n SER 55 N -3.02 0.20 -4.50 6.23 2.88 -0.68 -5.11 113.62 109.62 2kl3 n SER 55 Ca -0.01 -0.64 -0.24 0.00 -1.33 0.00 0.00 58.87 56.65 2kl3 n SER 55 Cb 0.70 0.15 -0.11 0.00 -0.75 0.00 0.00 64.21 64.21 2kl3 n SER 55 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2kl3 s LEU 56 N -0.31 2.49 -0.05 2.46 1.43 0.20 -5.07 118.68 119.83 2kl3 s LEU 56 Ca 0.00 -1.31 0.00 0.00 -1.03 0.00 0.00 54.13 51.79 2kl3 s LEU 56 Cb 0.00 -0.64 -0.03 0.00 0.03 0.00 0.00 46.19 45.55 2kl3 s LEU 56 CO 0.00 -0.47 -0.03 -0.70 0.23 0.00 0.00 176.35 175.38 2kl3 s GLU 57 N -3.78 2.81 0.46 1.70 2.12 -1.26 -4.70 118.70 116.05 2kl3 s GLU 57 Ca 0.34 -0.54 0.11 0.00 0.36 0.00 0.00 54.97 55.25 2kl3 s GLU 57 Cb 0.07 -2.66 1.05 0.00 0.26 0.00 0.00 34.13 32.85 2kl3 s GLU 57 CO 0.15 0.66 2.09 0.87 -0.54 0.00 0.00 175.26 178.50 2kl3 h LYS 58 N 4.95 0.27 -0.01 4.30 1.79 -1.96 -2.10 116.57 123.81 2kl3 h LYS 58 Ca -0.49 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 2kl3 h LYS 58 Cb 1.18 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2kl3 h LYS 58 CO 0.54 0.19 -0.31 0.43 -1.08 0.00 0.00 179.45 179.23 2kl3 n SER 59 N -4.49 1.11 -4.73 0.86 7.64 -1.26 0.58 113.62 113.32 2kl3 n SER 59 Ca 0.00 -0.93 -0.42 0.00 1.01 0.00 0.00 58.87 58.54 2kl3 n SER 59 Cb 0.08 0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 63.45 2kl3 n SER 59 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2kl3 s ARG 60 N -2.53 4.33 -0.60 1.43 6.06 -0.79 -4.67 118.95 122.17 2kl3 s ARG 60 Ca 0.23 2.14 -0.26 0.00 -2.50 0.00 0.00 55.73 55.34 2kl3 s ARG 60 Cb 0.19 -3.19 -0.06 0.00 0.06 0.00 0.00 34.95 31.95 2kl3 s ARG 60 CO 0.54 -0.38 2.20 -0.51 -2.50 0.00 0.00 175.30 174.66 2kl3 s ASP 61 N 0.63 4.68 -0.16 -2.12 1.11 -1.26 -4.29 116.67 115.26 2kl3 s ASP 61 Ca 0.61 0.57 -0.06 0.00 0.18 0.00 0.00 52.55 53.84 2kl3 s ASP 61 Cb -0.38 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.05 2kl3 s ASP 61 CO 0.36 -2.85 0.06 -0.63 1.18 0.00 0.00 175.17 173.29 2kl3 s ILE 62 N 11.41 4.74 -0.18 0.77 1.01 0.26 -1.85 121.20 137.36 2kl3 s ILE 62 Ca 0.85 -0.06 -0.00 0.00 0.00 0.00 0.00 60.65 61.44 2kl3 s ILE 62 Cb -0.14 -3.11 0.01 0.00 0.01 0.00 0.00 42.46 39.23 2kl3 s ILE 62 CO 0.20 0.50 -0.15 -0.31 0.00 0.00 0.00 174.94 175.18 2kl3 s TYR 63 N 0.05 2.82 -0.09 3.97 1.51 0.45 -0.80 117.35 125.26 2kl3 s TYR 63 Ca 0.05 -1.31 -0.00 0.00 -1.01 0.00 0.00 57.07 54.80 2kl3 s TYR 63 Cb -0.12 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.75 2kl3 s TYR 63 CO 0.01 -0.65 -0.05 0.08 -1.11 0.00 0.00 175.55 173.83 2kl3 s VAL 64 N 1.20 3.88 -0.04 0.71 1.01 -0.20 -0.78 120.40 126.18 2kl3 s VAL 64 Ca 0.02 -0.40 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 2kl3 s VAL 64 Cb -0.14 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.65 2kl3 s VAL 64 CO -0.07 0.59 0.00 -0.72 0.00 0.00 0.00 175.10 174.90 2kl3 s TYR 65 N -0.66 0.37 0.00 5.22 1.13 -0.81 -0.48 117.35 122.12 2kl3 s TYR 65 Ca 0.10 -0.01 0.00 0.00 -1.41 0.00 0.00 57.07 55.75 2kl3 s TYR 65 Cb -0.12 -0.49 0.00 0.00 -1.10 0.00 0.00 41.96 40.25 2kl3 s TYR 65 CO 0.02 -0.17 0.00 0.41 -2.51 0.00 0.00 175.55 173.30 2kl3 n GLY 66 N 4.41 3.14 0.13 5.49 0.00 -1.26 -2.50 105.19 114.61 2kl3 n GLY 66 Ca -0.21 -2.07 -0.19 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.20 0.06 -4.67 4.61 0.00 -1.94 -3.26 119.26 113.86 2kl3 h ALA 67 Ca 0.00 -0.84 -0.43 0.00 0.00 0.00 0.00 54.91 53.65 2kl3 h ALA 67 Cb 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 17.74 2kl3 h ALA 67 CO 0.00 0.84 -0.39 0.41 0.00 0.00 0.00 179.25 180.11 2kl3 n GLY 68 N 1.47 2.78 0.21 0.00 0.00 -1.26 -4.78 105.19 103.60 2kl3 n GLY 68 Ca -0.11 -1.83 -0.09 0.00 0.00 0.00 0.00 46.02 43.99 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 1.98 -0.50 0.00 1.61 3.32 -1.94 -1.77 116.42 119.12 2kl3 h ASP 69 Ca -0.24 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 2kl3 h ASP 69 Cb 1.17 0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.96 2kl3 h ASP 69 CO 0.34 -0.20 -0.00 -0.08 -1.72 0.00 0.00 179.24 177.57 2kl3 h GLU 70 N -0.18 -0.01 -0.36 3.56 4.81 -1.98 0.79 114.58 121.22 2kl3 h GLU 70 Ca 0.11 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2kl3 h GLU 70 Cb 0.34 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 2kl3 h GLU 70 CO -0.28 0.13 0.18 0.37 -0.73 0.00 0.00 179.01 178.68 2kl3 h GLN 71 N -0.14 0.36 0.37 1.92 4.15 -1.97 0.65 115.11 120.45 2kl3 h GLN 71 Ca -0.00 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 2kl3 h GLN 71 Cb 0.13 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.75 2kl3 h GLN 71 CO 0.00 0.24 -0.18 1.15 -1.93 0.00 0.00 178.83 178.11 2kl3 h THR 72 N 0.37 0.64 -0.65 2.39 2.02 -1.15 -2.08 112.91 114.45 2kl3 h THR 72 Ca 0.15 -0.17 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 2kl3 h THR 72 Cb 0.05 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 2kl3 h THR 72 CO -0.10 0.03 0.11 -1.28 0.37 0.00 0.00 175.52 174.65 2kl3 h SER 73 N -0.59 1.04 -0.37 4.18 0.87 -0.76 -2.27 113.55 115.65 2kl3 h SER 73 Ca -0.05 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.22 2kl3 h SER 73 Cb 0.44 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 2kl3 h SER 73 CO 0.08 1.03 0.13 -0.61 -0.53 0.00 0.00 176.83 176.94 2kl3 h GLN 74 N 1.00 0.56 -0.30 2.24 4.15 -0.88 -1.15 115.11 120.73 2kl3 h GLN 74 Ca 0.20 -0.11 0.04 0.00 0.77 0.00 0.00 58.65 59.55 2kl3 h GLN 74 Cb 0.44 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.00 2kl3 h GLN 74 CO 0.01 0.56 0.09 0.00 -1.93 0.00 0.00 178.83 177.56 2kl3 h ALA 75 N 0.97 0.34 -0.65 3.38 0.00 -1.26 -0.82 119.26 121.22 2kl3 h ALA 75 Ca 0.12 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.18 2kl3 h ALA 75 Cb 0.22 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 2kl3 h ALA 75 CO -0.01 -0.32 0.24 0.28 0.00 0.00 0.00 179.25 179.45 2kl3 h VAL 76 N 0.21 0.73 -0.21 0.00 2.07 -1.19 -0.66 116.25 117.20 2kl3 h VAL 76 Ca 0.14 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.54 2kl3 h VAL 76 Cb 0.13 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 2kl3 h VAL 76 CO -0.16 0.08 0.04 -1.13 0.02 0.00 0.00 177.57 176.41 2kl3 h ASN 77 N 0.42 0.00 -0.82 0.57 -1.24 -0.55 -1.88 115.58 112.07 2kl3 h ASN 77 Ca 0.34 0.03 0.03 0.00 0.71 0.00 0.00 56.30 57.41 2kl3 h ASN 77 Cb 0.45 0.05 -0.05 0.00 0.73 0.00 0.00 38.32 39.50 2kl3 h ASN 77 CO -0.34 0.03 0.53 -0.07 -1.29 0.00 0.00 177.43 176.29 2kl3 h LEU 78 N 0.12 0.89 -0.05 0.34 3.38 -0.52 0.19 115.31 119.66 2kl3 h LEU 78 Ca 0.10 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2kl3 h LEU 78 Cb 0.10 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2kl3 h LEU 78 CO -0.13 0.62 0.01 -0.07 0.09 0.00 0.00 178.44 178.96 2kl3 h LEU 79 N 1.05 0.08 -1.27 1.67 3.38 -0.91 0.11 115.31 119.41 2kl3 h LEU 79 Ca 0.32 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2kl3 h LEU 79 Cb -0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2kl3 h LEU 79 CO -0.10 0.32 -0.36 0.08 0.09 0.00 0.00 178.44 178.47 2kl3 h ARG 80 N -0.17 0.00 0.00 1.13 0.11 -1.18 0.63 114.38 114.91 2kl3 h ARG 80 Ca 0.01 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.07 2kl3 h ARG 80 Cb 0.27 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.35 2kl3 h ARG 80 CO 0.00 0.36 -0.14 1.03 0.10 0.00 0.00 179.97 181.32 2kl3 h SER 81 N 0.00 0.00 -0.37 0.08 0.87 -0.44 -2.57 113.55 111.12 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 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2kl3 h SER 81 CO 0.05 0.14 0.00 0.00 -0.53 0.00 0.00 176.83 176.49 2kl3 n ALA 82 N -2.20 2.65 0.00 6.23 0.00 0.38 -4.91 120.51 122.65 2kl3 n ALA 82 Ca -0.00 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2kl3 n ALA 82 Cb 0.35 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 0.91 3.39 3.55 0.00 0.00 -0.97 -5.01 105.19 107.07 2kl3 n GLY 83 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.76 1.48 -0.12 1.61 3.72 -0.50 -4.78 117.46 117.11 2kl3 n PHE 84 Ca 0.00 0.09 -0.12 0.00 -0.05 0.00 0.00 57.45 57.38 2kl3 n PHE 84 Cb 0.00 -2.64 -0.02 0.00 -0.94 0.00 0.00 39.48 35.87 2kl3 n PHE 84 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2kl3 h GLU 85 N 18.58 0.77 -3.71 -1.08 5.08 -0.17 -3.26 114.58 130.80 2kl3 h GLU 85 Ca -0.26 -0.34 -0.77 0.00 -1.00 0.00 0.00 59.36 57.00 2kl3 h GLU 85 Cb 1.27 -0.02 -0.29 0.00 0.50 0.00 0.00 28.75 30.21 2kl3 h GLU 85 CO 1.13 0.95 0.05 -1.01 -1.00 0.00 0.00 179.01 179.14 2kl3 s HIS 86 N -4.63 3.78 -0.06 4.33 3.76 -1.06 -5.00 115.29 116.41 2kl3 s HIS 86 Ca -0.12 -2.30 -0.02 0.00 -0.15 0.00 0.00 55.06 52.47 2kl3 s HIS 86 Cb 0.10 -3.67 0.03 0.00 1.11 0.00 0.00 32.58 30.15 2kl3 s HIS 86 CO 0.83 -0.94 0.03 0.08 -0.85 0.00 0.00 174.74 173.89 2kl3 s VAL 87 N -0.20 0.14 0.02 -0.90 1.01 -1.26 -0.57 120.40 118.64 2kl3 s VAL 87 Ca 0.20 0.28 0.08 0.00 0.00 0.00 0.00 61.98 62.54 2kl3 s VAL 87 Cb -0.12 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 2kl3 s VAL 87 CO -0.08 0.22 -0.23 -0.55 0.00 0.00 0.00 175.10 174.46 2kl3 s SER 88 N 2.07 3.39 -0.13 3.32 0.15 0.02 -4.86 113.70 117.66 2kl3 s SER 88 Ca 0.05 -0.49 -0.21 0.00 0.70 0.00 0.00 55.95 56.00 2kl3 s SER 88 Cb -0.12 -0.44 -0.03 0.00 -1.71 0.00 0.00 66.02 63.72 2kl3 s SER 88 CO -0.04 0.28 0.62 -1.83 1.20 0.00 0.00 173.24 173.47 2kl3 s GLU 89 N -1.13 4.33 -0.72 5.44 -1.05 -0.16 -1.03 118.70 124.38 2kl3 s GLU 89 Ca 0.12 0.68 -0.27 0.00 -0.15 0.00 0.00 54.97 55.35 2kl3 s GLU 89 Cb -0.10 -3.49 0.03 0.00 -0.44 0.00 0.00 34.13 30.12 2kl3 s GLU 89 CO 0.02 -0.03 1.30 -1.17 0.95 0.00 0.00 175.26 176.33 2kl3 s LEU 90 N 1.18 3.20 -0.10 1.83 2.96 0.36 -0.40 118.68 127.71 2kl3 s LEU 90 Ca 0.32 -0.35 -0.30 0.00 -0.22 0.00 0.00 54.13 53.57 2kl3 s LEU 90 Cb -0.16 -2.63 -0.08 0.00 0.50 0.00 0.00 46.19 43.82 2kl3 s LEU 90 CO 0.13 -1.83 2.08 0.29 -1.32 0.00 0.00 176.35 175.70 2kl3 n LYS 91 N 9.27 2.35 0.00 1.98 4.76 0.51 -1.32 118.16 135.71 2kl3 n LYS 91 Ca 0.04 0.78 0.00 0.00 -2.87 0.00 0.00 58.31 56.27 2kl3 n LYS 91 Cb 0.49 -3.04 0.00 0.00 -1.84 0.00 0.00 35.03 30.65 2kl3 n LYS 91 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kl3 n GLY 92 N 5.12 2.94 7.00 0.72 0.00 -1.26 -3.99 105.19 115.72 2kl3 n GLY 92 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.12 0.53 0.07 -0.02 0.00 -0.44 -3.00 105.19 101.20 2kl3 n GLY 93 Ca 0.00 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 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 0.10 -1.09 0.99 5.85 -1.86 -2.40 115.31 116.90 2kl3 h LEU 94 Ca 0.00 -0.04 0.19 0.00 0.84 0.00 0.00 57.88 58.87 2kl3 h LEU 94 Cb 0.00 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 40.91 2kl3 h LEU 94 CO 0.00 0.11 0.61 0.00 -0.34 0.00 0.00 178.44 178.82 2kl3 h ALA 95 N 0.99 1.75 -0.15 1.25 0.00 -1.90 0.68 119.26 121.89 2kl3 h ALA 95 Ca 0.03 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2kl3 h ALA 95 Cb 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2kl3 h ALA 95 CO -0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 179.25 179.07 2kl3 h ALA 96 N 1.63 0.20 -0.98 0.00 0.00 -1.40 0.29 119.26 119.00 2kl3 h ALA 96 Ca 0.56 -0.26 0.18 0.00 0.00 0.00 0.00 54.91 55.38 2kl3 h ALA 96 Cb 0.93 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.58 2kl3 h ALA 96 CO -0.34 -0.00 0.61 2.35 0.00 0.00 0.00 179.25 181.87 2kl3 h TRP 97 N -0.03 0.98 0.14 0.00 2.91 -0.71 -0.24 115.95 119.00 2kl3 h TRP 97 Ca 0.03 0.03 -0.30 0.00 1.13 0.00 0.00 58.89 59.78 2kl3 h TRP 97 Cb 0.53 -0.30 0.03 0.00 -0.51 0.00 0.00 29.16 28.91 2kl3 h TRP 97 CO 0.06 0.26 -1.28 0.87 -1.03 0.00 0.00 178.44 177.33 2kl3 h LYS 98 N 0.74 0.60 -0.22 2.65 1.57 -0.77 0.47 116.57 121.61 2kl3 h LYS 98 Ca 0.54 -0.83 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 2kl3 h LYS 98 Cb 0.87 0.28 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 2kl3 h LYS 98 CO -0.32 1.38 -0.02 0.00 -0.57 0.00 0.00 179.45 179.93 2kl3 h ALA 99 N 0.29 1.56 -0.04 3.86 0.00 0.44 -0.48 119.26 124.89 2kl3 h ALA 99 Ca -0.20 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2kl3 h ALA 99 Cb 1.96 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2kl3 h ALA 99 CO 0.24 0.32 0.00 0.44 0.00 0.00 0.00 179.25 180.25 2kl3 n ILE 100 N -4.34 0.05 -2.61 0.00 -5.35 -0.18 -4.93 119.36 101.99 2kl3 n ILE 100 Ca 0.00 -0.13 -0.07 0.00 -0.27 0.00 0.00 62.75 62.28 2kl3 n ILE 100 Cb 0.21 -0.04 0.03 0.00 -1.74 0.00 0.00 39.64 38.10 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 0.99 0.18 3.96 3.28 0.00 -0.19 -5.05 105.19 108.36 2kl3 n GLY 101 Ca 0.18 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.44 1.70 -0.07 -0.02 0.00 0.15 -5.02 107.32 100.61 2kl3 s GLY 102 Ca 0.04 -1.14 -0.30 0.00 0.00 0.00 0.00 44.72 43.33 2kl3 s GLY 102 CO 0.28 -0.89 1.51 2.56 0.00 0.00 0.00 173.10 176.56 2kl3 s PRO 103 N -4.74 4.21 0.39 2.90 0.04 -1.26 -4.79 135.00 131.75 2kl3 s PRO 103 Ca 0.54 2.02 0.07 0.00 0.04 0.00 0.00 61.00 63.66 2kl3 s PRO 103 Cb -0.10 -3.86 -0.08 0.00 0.04 0.00 0.00 34.50 30.50 2kl3 s PRO 103 CO 0.39 -0.77 0.00 0.95 0.04 0.00 0.00 177.00 177.62 2kl3 s THR 104 N 3.62 1.93 -0.18 1.26 -4.23 -1.26 -1.83 115.64 114.95 2kl3 s THR 104 Ca 0.67 -2.02 -0.28 0.00 -1.18 0.00 0.00 61.69 58.88 2kl3 s THR 104 Cb -0.30 -2.93 0.08 0.00 1.34 0.00 0.00 72.50 70.69 2kl3 s THR 104 CO 0.25 -0.03 0.74 -0.70 -0.54 0.00 0.00 174.62 174.35 2kl3 s GLU 105 N -3.72 0.88 0.00 3.99 2.12 0.13 -4.57 118.70 117.53 2kl3 s GLU 105 Ca 0.35 0.64 0.00 0.00 0.36 0.00 0.00 54.97 56.32 2kl3 s GLU 105 Cb 0.09 0.42 0.00 0.00 0.26 0.00 0.00 34.13 34.90 2kl3 s GLU 105 CO 0.17 -0.19 0.00 0.41 -0.54 0.00 0.00 175.26 175.12 2kl3 n GLY 106 N 1.88 3.17 0.13 -1.50 0.00 -1.26 0.11 105.19 107.72 2kl3 n GLY 106 Ca -0.16 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 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 1.66 1.02 -0.04 -0.61 2.04 -0.27 -2.63 117.51 118.68 2kl3 h ILE 107 Ca 0.00 -0.11 -0.17 0.00 1.00 0.00 0.00 64.86 65.58 2kl3 h ILE 107 Cb 0.00 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2kl3 h ILE 107 CO 0.00 0.06 -0.73 0.40 0.00 0.00 0.00 178.15 177.88 2kl3 h ILE 108 N 0.32 1.43 0.00 -0.67 5.03 -1.56 -2.90 117.51 119.17 2kl3 h ILE 108 Ca 0.11 -2.27 0.00 0.00 -0.12 0.00 0.00 64.86 62.57 2kl3 h ILE 108 Cb 0.00 2.21 0.00 0.00 -3.03 0.00 0.00 36.82 36.01 2kl3 h ILE 108 CO -0.05 0.67 0.00 -0.62 -0.68 0.00 0.00 178.15 177.46 2kl3 n GLU 109 N -3.77 0.51 0.23 2.37 1.02 -1.03 -3.22 120.64 116.75 2kl3 n GLU 109 Ca -0.03 0.02 0.15 0.00 -0.02 0.00 0.00 57.16 57.28 2kl3 n GLU 109 Cb 0.71 -1.50 0.51 0.00 -0.02 0.00 0.00 31.44 31.14 2kl3 n GLU 109 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2kl3 h SER 110 N 0.00 0.00 -5.07 1.62 0.87 -1.26 -3.46 113.55 106.26 2kl3 h SER 110 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 2kl3 h SER 110 Cb 0.03 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 61.87 2kl3 h SER 110 CO 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 176.83 176.29 2kl3 s ARG 111 N -3.47 1.14 -0.09 2.24 3.03 -1.20 -5.15 118.95 115.46 2kl3 s ARG 111 Ca 0.04 -0.69 -0.07 0.00 2.03 0.00 0.00 55.73 57.03 2kl3 s ARG 111 Cb 0.08 0.50 -0.04 0.00 -1.03 0.00 0.00 34.95 34.46 2kl3 s ARG 111 CO 0.56 -0.46 0.18 -0.08 -1.13 0.00 0.00 175.30 174.36 2kl3 s THR 112 N -3.80 5.45 -0.19 4.99 -1.32 -1.26 -5.01 115.64 114.50 2kl3 s THR 112 Ca 0.04 0.24 -0.27 0.00 -1.21 0.00 0.00 61.69 60.48 2kl3 s THR 112 Cb 0.01 -3.45 -0.00 0.00 -1.51 0.00 0.00 72.50 67.55 2kl3 s THR 112 CO -0.11 0.58 0.94 -2.16 -2.21 0.00 0.00 174.62 171.66 2kl3 s PRO 113 N -1.14 4.29 -0.28 7.08 0.04 -1.26 -5.02 135.00 138.71 2kl3 s PRO 113 Ca 0.17 1.20 -0.17 0.00 0.04 0.00 0.00 61.00 62.25 2kl3 s PRO 113 Cb -0.13 -3.60 0.11 0.00 0.04 0.00 0.00 34.50 30.92 2kl3 s PRO 113 CO 0.07 -0.46 0.84 0.00 0.04 0.00 0.00 177.00 177.48 2kl3 s ALA 114 N 2.61 -2.05 0.00 8.56 0.00 -1.26 -5.16 121.76 124.45 2kl3 s ALA 114 Ca 0.42 2.28 0.00 0.00 0.00 0.00 0.00 51.96 54.65 2kl3 s ALA 114 Cb -0.16 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.42 2kl3 s ALA 114 CO 0.10 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.92 2kl3 n GLY 115 N 3.83 1.94 3.54 0.00 0.00 -1.26 -5.19 105.19 108.05 2kl3 n GLY 115 Ca -0.19 0.39 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.83 -0.07 4.61 0.00 -1.26 -5.18 121.76 118.03 2kl3 s ALA 116 Ca 0.00 1.42 -0.13 0.00 0.00 0.00 0.00 51.96 53.26 2kl3 s ALA 116 Cb 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.88 2kl3 s ALA 116 CO 0.00 -0.35 0.31 0.16 0.00 0.00 0.00 175.76 175.88 2kl3 s ASP 117 N -1.14 -0.26 -0.05 0.00 -4.77 -1.26 -5.17 116.67 104.02 2kl3 s ASP 117 Ca -0.08 0.37 -0.02 0.00 -3.30 0.00 0.00 52.55 49.53 2kl3 s ASP 117 Cb -0.00 0.49 0.03 0.00 -1.09 0.00 0.00 42.92 42.35 2kl3 s ASP 117 CO 0.07 -0.27 0.10 1.51 0.70 0.00 0.00 175.17 177.28 2kl3 s ASP 118 N -0.55 -0.04 -0.39 2.11 -4.77 -1.26 -5.08 116.67 106.69 2kl3 s ASP 118 Ca -0.07 0.19 -0.01 0.00 -3.30 0.00 0.00 52.55 49.36 2kl3 s ASP 118 Cb -0.04 0.09 0.19 0.00 -1.09 0.00 0.00 42.92 42.08 2kl3 s ASP 118 CO 0.02 -0.13 0.90 -0.47 0.70 0.00 0.00 175.17 176.19 2kl3 s TYR 119 N 1.02 -0.92 -0.65 2.11 5.04 -1.26 -5.07 117.35 117.62 2kl3 s TYR 119 Ca -0.08 -0.06 0.06 0.00 -2.44 0.00 0.00 57.07 54.55 2kl3 s TYR 119 Cb -0.11 0.18 0.25 0.00 0.35 0.00 0.00 41.96 42.62 2kl3 s TYR 119 CO -0.04 -0.67 0.75 -1.71 -1.34 0.00 0.00 175.55 172.54 2kl3 n ASN 120 N 3.44 3.78 -4.11 4.32 2.85 -1.26 -5.05 115.26 119.23 2kl3 n ASN 120 Ca 0.11 -3.44 -0.33 0.00 -0.11 0.00 0.00 54.58 50.81 2kl3 n ASN 120 Cb 0.61 -0.68 -0.15 0.00 1.24 0.00 0.00 39.78 40.80 2kl3 n ASN 120 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2kl3 s VAL 121 N -2.47 2.21 -0.14 3.44 1.01 -1.26 -5.11 120.40 118.09 2kl3 s VAL 121 Ca 0.40 -1.27 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 2kl3 s VAL 121 Cb 0.14 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 2kl3 s VAL 121 CO -0.01 0.24 0.36 -0.69 0.00 0.00 0.00 175.10 174.99 2kl3 s VAL 122 N 1.21 5.26 -0.23 2.92 1.01 -1.26 -5.07 120.40 124.24 2kl3 s VAL 122 Ca -0.02 0.69 -0.03 0.00 0.00 0.00 0.00 61.98 62.61 2kl3 s VAL 122 Cb -0.17 -3.69 0.13 0.00 0.00 0.00 0.00 36.38 32.65 2kl3 s VAL 122 CO -0.08 0.37 0.37 -0.55 0.00 0.00 0.00 175.10 175.21 2kl3 s SER 123 N 0.48 0.29 -0.03 3.32 0.15 -1.26 -5.15 113.70 111.51 2kl3 s SER 123 Ca 0.20 0.25 0.04 0.00 0.70 0.00 0.00 55.95 57.14 2kl3 s SER 123 Cb -0.14 1.07 -0.00 0.00 -1.71 0.00 0.00 66.02 65.24 2kl3 s SER 123 CO 0.06 -0.30 -0.13 0.00 1.20 0.00 0.00 173.24 174.07 2kl3 s ARG 124 N 2.53 1.28 -0.23 5.44 1.70 -1.26 -5.13 118.95 123.28 2kl3 s ARG 124 Ca 0.11 -0.47 0.01 0.00 -0.47 0.00 0.00 55.73 54.90 2kl3 s ARG 124 Cb -0.15 -1.18 0.06 0.00 -0.57 0.00 0.00 34.95 33.11 2kl3 s ARG 124 CO -0.15 0.23 -0.05 -0.51 -1.08 0.00 0.00 175.30 173.73 2kl3 s LEU 125 N -0.06 2.52 -0.15 -1.89 1.43 -1.26 -5.10 118.68 114.18 2kl3 s LEU 125 Ca 0.00 -1.16 -0.03 0.00 -1.03 0.00 0.00 54.13 51.91 2kl3 s LEU 125 Cb -0.08 -1.16 0.05 0.00 0.03 0.00 0.00 46.19 45.03 2kl3 s LEU 125 CO 0.01 -0.23 0.06 -1.83 0.23 0.00 0.00 176.35 174.58 2kl3 s GLU 126 N 1.41 0.31 -0.15 1.70 1.03 -1.26 -5.11 118.70 116.63 2kl3 s GLU 126 Ca -0.06 -0.11 -0.03 0.00 0.03 0.00 0.00 54.97 54.80 2kl3 s GLU 126 Cb -0.19 -1.66 0.05 0.00 -0.80 0.00 0.00 34.13 31.53 2kl3 s GLU 126 CO -0.06 -0.57 0.04 -1.01 -1.33 0.00 0.00 175.26 172.32 2kl3 s HIS 127 N 2.03 0.71 -0.27 4.83 3.76 -1.26 -5.11 115.29 119.98 2kl3 s HIS 127 Ca 0.02 -0.51 -0.02 0.00 -0.15 0.00 0.00 55.06 54.39 2kl3 s HIS 127 Cb -0.15 -0.87 0.11 0.00 1.11 0.00 0.00 32.58 32.78 2kl3 s HIS 127 CO -0.07 -0.50 0.21 -1.58 -0.85 0.00 0.00 174.74 171.95 2kl3 s HIS 128 N 1.96 -0.13 -0.09 1.40 5.04 -1.26 -5.12 115.29 117.09 2kl3 s HIS 128 Ca 0.01 -0.36 -0.00 0.00 -1.54 0.00 0.00 55.06 53.17 2kl3 s HIS 128 Cb -0.15 -0.61 0.02 0.00 0.04 0.00 0.00 32.58 31.88 2kl3 s HIS 128 CO -0.07 -0.82 -0.06 -1.58 -2.34 0.00 0.00 174.74 169.87 2kl3 s HIS 129 N 2.25 1.26 -0.04 3.88 2.46 -1.26 -5.13 115.29 118.71 2kl3 s HIS 129 Ca 0.08 -0.56 -0.30 0.00 0.47 0.00 0.00 55.06 54.75 2kl3 s HIS 129 Cb -0.15 -1.08 0.08 0.00 -0.13 0.00 0.00 32.58 31.29 2kl3 s HIS 129 CO -0.30 -0.42 0.72 -1.58 -2.47 0.00 0.00 174.74 170.69 2kl3 s HIS 130 N 1.57 -0.59 0.14 3.88 5.04 -1.26 -5.18 115.29 118.89 2kl3 s HIS 130 Ca 0.01 0.94 0.09 0.00 -1.54 0.00 0.00 55.06 54.56 2kl3 s HIS 130 Cb -0.13 0.44 -0.04 0.00 0.04 0.00 0.00 32.58 32.89 2kl3 s HIS 130 CO -0.06 -0.60 -0.20 -1.01 -2.34 0.00 0.00 174.74 170.54 2kl3 s HIS 131 N -1.53 1.87 -2.00 3.88 3.76 -1.26 -5.37 115.29 114.65 2kl3 s HIS 131 Ca -0.08 -0.44 0.09 0.00 -0.15 0.00 0.00 55.06 54.48 2kl3 s HIS 131 Cb -0.00 -0.97 0.52 0.00 1.11 0.00 0.00 32.58 33.24 2kl3 s HIS 131 CO 0.06 0.30 0.97 -2.39 -0.85 0.00 0.00 174.74 172.83