#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 -2.90 -0.10 3.17 -0.58 -1.26 -4.78 120.64 114.20 2kl3 n GLU 2 Ca 0.00 2.20 -0.11 0.00 -0.42 0.00 0.00 57.16 58.83 2kl3 n GLU 2 Cb 0.00 -2.62 0.03 0.00 -0.57 0.00 0.00 31.44 28.28 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 0.59 0.84 -3.78 3.49 0.13 -1.95 -3.41 132.00 127.91 2kl3 h PRO 3 Ca 0.00 -0.41 -0.55 0.00 -0.87 0.00 0.00 66.00 64.17 2kl3 h PRO 3 Cb 0.33 -0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.07 2kl3 h PRO 3 CO 0.00 1.05 -0.77 -0.65 -0.23 0.00 0.00 178.00 177.40 2kl3 s GLN 4 N -4.43 0.94 0.15 0.86 -0.21 -1.26 -1.63 119.66 114.07 2kl3 s GLN 4 Ca -0.10 -0.63 -0.19 0.00 0.02 0.00 0.00 55.36 54.45 2kl3 s GLN 4 Cb 0.12 -2.25 -0.07 0.00 1.00 0.00 0.00 33.01 31.81 2kl3 s GLN 4 CO 0.86 -0.65 0.65 0.45 -2.12 0.00 0.00 175.29 174.48 2kl3 s SER 5 N 1.71 7.07 0.19 5.90 0.15 0.13 -4.86 113.70 123.98 2kl3 s SER 5 Ca -0.02 1.34 -0.28 0.00 0.70 0.00 0.00 55.95 57.69 2kl3 s SER 5 Cb -0.18 -2.39 -0.08 0.00 -1.71 0.00 0.00 66.02 61.67 2kl3 s SER 5 CO -0.09 0.15 0.89 -1.81 1.20 0.00 0.00 173.24 173.58 2kl3 s ASP 6 N -1.41 7.52 0.26 5.45 1.11 -1.26 -0.48 116.67 127.87 2kl3 s ASP 6 Ca 0.36 1.81 -0.02 0.00 0.18 0.00 0.00 52.55 54.88 2kl3 s ASP 6 Cb -0.18 -2.57 0.46 0.00 1.07 0.00 0.00 42.92 41.70 2kl3 s ASP 6 CO 0.21 0.13 1.84 0.00 1.18 0.00 0.00 175.17 178.53 2kl3 h ALA 7 N 4.53 1.36 -0.34 5.23 0.00 -1.92 0.46 119.26 128.59 2kl3 h ALA 7 Ca -0.45 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 2kl3 h ALA 7 Cb 1.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2kl3 h ALA 7 CO 0.68 0.25 -0.18 1.25 0.00 0.00 0.00 179.25 181.25 2kl3 h HIS 8 N 0.98 0.70 -0.00 0.00 -0.00 -1.91 -0.21 115.15 114.71 2kl3 h HIS 8 Ca 0.44 -0.14 -0.24 0.00 -0.00 0.00 0.00 60.37 60.44 2kl3 h HIS 8 Cb 0.35 -0.18 0.01 0.00 -0.00 0.00 0.00 27.41 27.60 2kl3 h HIS 8 CO -0.02 0.77 -0.98 0.28 -0.00 0.00 0.00 177.93 177.98 2kl3 h VAL 9 N 0.57 1.35 -0.56 5.26 2.07 -1.74 -1.63 116.25 121.57 2kl3 h VAL 9 Ca 0.09 -2.35 -0.08 0.00 0.82 0.00 0.00 66.70 65.18 2kl3 h VAL 9 Cb 0.62 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 2kl3 h VAL 9 CO 0.04 0.71 0.04 0.25 0.02 0.00 0.00 177.57 178.63 2kl3 h LEU 10 N 0.31 0.93 -0.48 2.57 5.85 -0.84 -2.17 115.31 121.49 2kl3 h LEU 10 Ca -0.10 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 2kl3 h LEU 10 Cb 1.62 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 2kl3 h LEU 10 CO 0.18 0.99 0.22 0.50 -0.34 0.00 0.00 178.44 179.99 2kl3 h LYS 11 N 0.84 0.69 -0.76 1.25 3.64 -1.04 -1.23 116.57 119.96 2kl3 h LYS 11 Ca 0.16 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2kl3 h LYS 11 Cb 0.49 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 2kl3 h LYS 11 CO 0.02 0.60 0.47 0.66 -2.27 0.00 0.00 179.45 178.93 2kl3 h SER 12 N 0.62 0.90 -0.63 4.20 4.64 -1.17 -1.78 113.55 120.34 2kl3 h SER 12 Ca 0.16 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 2kl3 h SER 12 Cb 0.14 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 2kl3 h SER 12 CO -0.02 0.68 0.08 0.03 -0.87 0.00 0.00 176.83 176.74 2kl3 h ARG 13 N 1.04 1.05 0.52 4.77 3.08 -1.24 0.85 114.38 124.44 2kl3 h ARG 13 Ca 0.27 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2kl3 h ARG 13 Cb -0.06 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.87 2kl3 h ARG 13 CO -0.05 0.99 -0.26 1.25 -1.07 0.00 0.00 179.97 180.82 2kl3 h LEU 14 N 0.96 -0.62 0.06 3.04 6.46 -0.60 -1.02 115.31 123.60 2kl3 h LEU 14 Ca 0.19 0.02 -0.24 0.00 -0.12 0.00 0.00 57.88 57.73 2kl3 h LEU 14 Cb 0.46 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 2kl3 h LEU 14 CO 0.02 -0.44 -1.28 -0.33 -0.62 0.00 0.00 178.44 175.78 2kl3 h GLU 15 N -0.72 0.13 0.03 1.25 5.08 -1.39 -3.41 114.58 115.56 2kl3 h GLU 15 Ca -0.07 -0.23 -0.37 0.00 -1.00 0.00 0.00 59.36 57.70 2kl3 h GLU 15 Cb 0.56 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 2kl3 h GLU 15 CO 0.11 1.11 -2.24 0.91 -1.00 0.00 0.00 179.01 177.89 2kl3 n TRP 16 N -4.13 0.42 0.00 4.33 7.02 0.18 -4.95 117.44 120.32 2kl3 n TRP 16 Ca -0.27 0.11 0.00 0.00 -1.02 0.00 0.00 57.50 56.32 2kl3 n TRP 16 Cb 0.80 -1.06 0.00 0.00 -2.42 0.00 0.00 31.31 28.62 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 1.97 0.82 2.73 6.99 0.00 0.24 -4.92 105.19 113.02 2kl3 n GLY 17 Ca -0.35 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 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 0.59 0.17 0.00 1.61 2.56 -0.46 -4.89 118.70 118.28 2kl3 s GLU 18 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.97 55.14 2kl3 s GLU 18 Cb 0.00 -1.27 0.00 0.00 2.00 0.00 0.00 34.13 34.86 2kl3 s GLU 18 CO 0.00 -0.65 0.00 -2.30 -0.56 0.00 0.00 175.26 171.75 2kl3 n PRO 19 N 5.31 0.00 -0.76 4.30 -0.02 -1.21 -4.78 135.00 137.85 2kl3 n PRO 19 Ca -0.06 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.40 2kl3 n PRO 19 Cb 0.49 -0.45 -0.01 0.00 -0.02 0.00 0.00 33.50 33.51 2kl3 n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kl3 n ALA 20 N -3.00 -0.04 -2.62 3.55 0.00 -1.26 -4.93 120.51 112.21 2kl3 n ALA 20 Ca 0.00 0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 2kl3 n ALA 20 Cb 0.00 -0.98 -0.09 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.90 2.85 -0.32 0.00 -0.12 -1.26 -4.72 117.98 113.51 2kl3 s PHE 21 Ca 0.00 -0.10 -0.11 0.00 -0.05 0.00 0.00 56.93 56.66 2kl3 s PHE 21 Cb 0.00 -1.48 -0.02 0.00 -0.63 0.00 0.00 43.02 40.89 2kl3 s PHE 21 CO 0.00 0.45 0.20 0.99 -0.05 0.00 0.00 175.22 176.81 2kl3 s THR 22 N -1.26 5.10 -0.20 -4.49 2.01 -0.02 -4.94 115.64 111.85 2kl3 s THR 22 Ca 0.23 -0.16 -0.19 0.00 0.31 0.00 0.00 61.69 61.88 2kl3 s THR 22 Cb -0.11 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 2kl3 s THR 22 CO 0.16 0.09 0.53 -0.63 -0.69 0.00 0.00 174.62 174.08 2kl3 s ILE 23 N 1.70 5.09 -0.17 1.82 1.09 -1.26 -0.14 121.20 129.34 2kl3 s ILE 23 Ca 0.06 0.98 -0.03 0.00 -1.10 0.00 0.00 60.65 60.56 2kl3 s ILE 23 Cb -0.17 -3.85 -0.02 0.00 -1.06 0.00 0.00 42.46 37.36 2kl3 s ILE 23 CO 0.09 0.17 -0.07 -0.76 -0.10 0.00 0.00 174.94 174.28 2kl3 s LEU 24 N 1.68 2.96 -0.71 2.97 1.43 -0.46 -1.19 118.68 125.36 2kl3 s LEU 24 Ca 0.25 -0.28 -0.21 0.00 -1.03 0.00 0.00 54.13 52.85 2kl3 s LEU 24 Cb -0.15 -1.72 0.09 0.00 0.03 0.00 0.00 46.19 44.43 2kl3 s LEU 24 CO 0.10 0.10 0.97 -0.62 0.23 0.00 0.00 176.35 177.13 2kl3 s ASP 25 N 0.79 6.27 0.00 2.29 -1.08 -0.96 -1.96 116.67 122.02 2kl3 s ASP 25 Ca -0.02 -1.27 0.20 0.00 -0.52 0.00 0.00 52.55 50.94 2kl3 s ASP 25 Cb -0.15 -2.40 0.53 0.00 -1.46 0.00 0.00 42.92 39.44 2kl3 s ASP 25 CO 0.02 -1.33 1.45 1.33 0.52 0.00 0.00 175.17 177.15 2kl3 n VAL 26 N 5.80 0.64 0.18 1.11 0.24 -1.06 -2.95 118.33 122.28 2kl3 n VAL 26 Ca 0.02 -0.73 -0.07 0.00 -2.04 0.00 0.00 64.34 61.52 2kl3 n VAL 26 Cb 0.46 0.57 -0.03 0.00 -1.47 0.00 0.00 33.84 33.36 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 3.63 -0.46 -1.18 7.34 3.08 -1.87 -2.62 114.38 122.30 2kl3 h ARG 27 Ca 0.00 0.03 0.27 0.00 0.07 0.00 0.00 59.98 60.35 2kl3 h ARG 27 Cb 0.82 0.10 -0.23 0.00 0.08 0.00 0.00 29.97 30.74 2kl3 h ARG 27 CO 0.00 -0.31 0.91 0.34 -1.07 0.00 0.00 179.97 179.85 2kl3 s ASP 28 N -3.68 -0.07 0.13 7.04 2.15 -1.26 -4.69 116.67 116.29 2kl3 s ASP 28 Ca -0.07 0.03 -0.15 0.00 0.43 0.00 0.00 52.55 52.79 2kl3 s ASP 28 Cb 0.01 0.06 -0.01 0.00 -0.30 0.00 0.00 42.92 42.68 2kl3 s ASP 28 CO 0.21 -0.09 1.61 -0.09 -0.17 0.00 0.00 175.17 176.64 2kl3 h ARG 29 N 2.04 0.68 -0.02 4.34 9.65 -1.94 0.24 114.38 129.37 2kl3 h ARG 29 Ca -0.06 -0.18 -0.25 0.00 -1.10 0.00 0.00 59.98 58.39 2kl3 h ARG 29 Cb 1.16 -0.08 0.01 0.00 -1.39 0.00 0.00 29.97 29.67 2kl3 h ARG 29 CO 0.21 0.72 -0.98 0.77 2.80 0.00 0.00 179.97 183.49 2kl3 h SER 30 N 0.54 0.82 -0.12 -3.80 0.02 -1.99 -2.74 113.55 106.27 2kl3 h SER 30 Ca 0.13 -0.64 -0.04 0.00 -0.84 0.00 0.00 61.79 60.40 2kl3 h SER 30 Cb 0.36 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2kl3 h SER 30 CO 0.01 1.44 -0.01 0.74 -1.14 0.00 0.00 176.83 177.86 2kl3 h THR 31 N 0.37 1.15 -0.35 -2.27 2.02 -1.92 0.15 112.91 112.06 2kl3 h THR 31 Ca -0.11 -0.61 0.05 0.00 0.77 0.00 0.00 66.41 66.52 2kl3 h THR 31 Cb 1.63 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 68.99 2kl3 h THR 31 CO 0.19 0.20 0.06 0.22 0.37 0.00 0.00 175.52 176.56 2kl3 h TYR 32 N 0.33 0.09 -0.69 3.16 3.20 -0.41 -1.81 116.97 120.84 2kl3 h TYR 32 Ca 0.08 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 2kl3 h TYR 32 Cb 0.25 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 2kl3 h TYR 32 CO 0.01 0.00 0.32 -0.91 -1.64 0.00 0.00 178.16 175.94 2kl3 h ASN 33 N 0.17 0.91 -0.50 -2.11 2.35 -0.96 -3.08 115.58 112.36 2kl3 h ASN 33 Ca 0.17 -0.14 0.09 0.00 -0.55 0.00 0.00 56.30 55.88 2kl3 h ASN 33 Cb 0.20 -0.23 -0.08 0.00 0.05 0.00 0.00 38.32 38.26 2kl3 h ASN 33 CO -0.23 0.79 0.03 -0.78 -1.65 0.00 0.00 177.43 175.59 2kl3 h ASP 34 N 0.96 -0.15 -0.58 5.81 1.82 -0.24 0.37 116.42 124.40 2kl3 h ASP 34 Ca 0.24 0.11 0.24 0.00 -0.39 0.00 0.00 57.03 57.22 2kl3 h ASP 34 Cb 0.13 0.19 -0.28 0.00 0.68 0.00 0.00 39.33 40.05 2kl3 h ASP 34 CO -0.03 -0.05 0.52 -0.83 -1.61 0.00 0.00 179.24 177.25 2kl3 s GLY 35 N -3.12 0.26 0.19 -0.78 0.00 -0.73 0.07 107.32 103.21 2kl3 s GLY 35 Ca -0.13 3.59 0.02 0.00 0.00 0.00 0.00 44.72 48.20 2kl3 s GLY 35 CO 0.72 3.26 0.02 -2.38 0.00 0.00 0.00 173.10 174.72 2kl3 s HIS 36 N 1.94 1.26 0.40 1.90 -3.43 0.76 -4.69 115.29 113.43 2kl3 s HIS 36 Ca -0.01 -1.05 -0.26 0.00 -0.80 0.00 0.00 55.06 52.93 2kl3 s HIS 36 Cb -0.02 -0.72 -0.09 0.00 -1.43 0.00 0.00 32.58 30.32 2kl3 s HIS 36 CO -0.15 -0.24 1.28 0.42 -2.00 0.00 0.00 174.74 174.04 2kl3 s ILE 37 N -3.68 2.72 -0.39 -5.38 1.01 -1.26 -0.42 121.20 113.80 2kl3 s ILE 37 Ca 0.26 0.64 -0.36 0.00 0.00 0.00 0.00 60.65 61.20 2kl3 s ILE 37 Cb 0.06 -3.38 -0.12 0.00 0.01 0.00 0.00 42.46 39.03 2kl3 s ILE 37 CO 0.06 0.09 2.21 0.80 0.00 0.00 0.00 174.94 178.10 2kl3 n MET 38 N 0.16 0.93 -1.39 2.79 0.00 -0.61 -1.09 117.12 117.92 2kl3 n MET 38 Ca 0.04 0.24 -0.04 0.00 -0.00 0.00 0.00 57.70 57.94 2kl3 n MET 38 Cb 0.44 -2.37 -0.01 0.00 0.00 0.00 0.00 33.22 31.28 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 6.63 0.57 3.80 -5.12 0.00 -1.26 -5.02 105.19 104.79 2kl3 n GLY 39 Ca 0.43 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.17 2.51 0.18 4.61 0.00 -0.25 -4.90 121.76 121.74 2kl3 s ALA 40 Ca 0.00 0.09 -0.25 0.00 0.00 0.00 0.00 51.96 51.80 2kl3 s ALA 40 Cb 0.00 -3.19 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 2kl3 s ALA 40 CO 0.00 -1.43 0.79 -1.64 0.00 0.00 0.00 175.76 173.48 2kl3 s MET 41 N -5.02 4.57 -1.48 0.00 -1.94 -0.33 -4.94 119.30 110.16 2kl3 s MET 41 Ca 0.59 1.17 -0.13 0.00 -1.71 0.00 0.00 55.69 55.62 2kl3 s MET 41 Cb -0.15 -3.22 0.02 0.00 2.01 0.00 0.00 34.83 33.49 2kl3 s MET 41 CO 0.55 0.55 2.37 0.00 -0.01 0.00 0.00 175.02 178.48 2kl3 n ALA 42 N 1.49 5.97 -3.86 3.03 0.00 -1.26 -2.27 120.51 123.61 2kl3 n ALA 42 Ca -0.05 -3.83 -0.28 0.00 0.00 0.00 0.00 53.44 49.28 2kl3 n ALA 42 Cb 0.49 -3.47 -0.12 0.00 0.00 0.00 0.00 19.45 16.34 2kl3 n ALA 42 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2kl3 s MET 43 N 2.81 2.31 0.41 0.00 0.00 -1.24 -5.00 119.30 118.59 2kl3 s MET 43 Ca 0.51 -3.21 -0.24 0.00 0.00 0.00 0.00 55.69 52.75 2kl3 s MET 43 Cb 0.15 -3.24 -0.08 0.00 0.00 0.00 0.00 34.83 31.66 2kl3 s MET 43 CO -0.08 -1.29 1.16 -1.25 0.00 0.00 0.00 175.02 173.56 2kl3 s PRO 44 N -1.28 3.99 0.59 4.11 0.04 -1.15 -3.74 135.00 137.56 2kl3 s PRO 44 Ca 0.25 1.79 0.29 0.00 0.04 0.00 0.00 61.00 63.37 2kl3 s PRO 44 Cb -0.05 -2.60 1.41 0.00 0.04 0.00 0.00 34.50 33.31 2kl3 s PRO 44 CO -0.16 -0.36 1.81 0.97 0.04 0.00 0.00 177.00 179.30 2kl3 h ILE 45 N 2.20 0.30 -0.04 0.56 2.10 -1.68 0.47 117.51 121.41 2kl3 h ILE 45 Ca -0.49 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.44 2kl3 h ILE 45 Cb 1.24 0.53 -0.00 0.00 -1.09 0.00 0.00 36.82 37.49 2kl3 h ILE 45 CO 0.62 0.00 -0.02 -0.33 -1.08 0.00 0.00 178.15 177.34 2kl3 h GLU 46 N 0.00 0.08 -0.13 2.19 5.08 -1.90 -3.26 114.58 116.64 2kl3 h GLU 46 Ca 0.26 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2kl3 h GLU 46 Cb 1.44 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.69 2kl3 h GLU 46 CO -0.00 0.45 0.00 -3.47 -1.00 0.00 0.00 179.01 174.99 2kl3 n ASP 47 N -4.84 3.07 -0.19 1.42 2.03 0.04 -4.67 116.55 113.41 2kl3 n ASP 47 Ca -0.07 -1.98 -0.09 0.00 0.52 0.00 0.00 54.79 53.17 2kl3 n ASP 47 Cb 0.23 -0.07 -0.04 0.00 -0.72 0.00 0.00 41.12 40.52 2kl3 n ASP 47 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2kl3 h LEU 48 N 4.55 -1.51 -0.24 -2.67 5.85 -0.22 0.92 115.31 122.00 2kl3 h LEU 48 Ca 0.00 0.24 0.06 0.00 0.84 0.00 0.00 57.88 59.02 2kl3 h LEU 48 Cb 0.98 0.68 -0.06 0.00 0.37 0.00 0.00 40.66 42.62 2kl3 h LEU 48 CO 0.00 -0.34 -0.18 0.58 -0.34 0.00 0.00 178.44 178.16 2kl3 h VAL 49 N -0.25 0.50 0.28 1.05 2.07 -1.83 0.18 116.25 118.25 2kl3 h VAL 49 Ca 0.16 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 2kl3 h VAL 49 Cb 0.57 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2kl3 h VAL 49 CO -0.66 0.00 -0.13 0.44 0.02 0.00 0.00 177.57 177.23 2kl3 h ASP 50 N -0.18 -0.32 -0.07 0.57 5.19 -1.75 -0.33 116.42 119.53 2kl3 h ASP 50 Ca 0.13 -0.11 0.04 0.00 -0.62 0.00 0.00 57.03 56.47 2kl3 h ASP 50 Cb 0.38 0.08 -0.05 0.00 0.18 0.00 0.00 39.33 39.92 2kl3 h ASP 50 CO -0.34 -0.07 -0.26 0.03 -3.12 0.00 0.00 179.24 175.47 2kl3 h ARG 51 N -0.56 -0.35 -0.32 3.56 2.47 -0.62 -0.63 114.38 117.92 2kl3 h ARG 51 Ca -0.04 0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.67 2kl3 h ARG 51 Cb 0.41 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 2kl3 h ARG 51 CO 0.06 -0.24 0.06 0.00 0.56 0.00 0.00 179.97 180.42 2kl3 h ALA 52 N 0.50 0.42 0.00 0.04 0.00 -0.67 0.97 119.26 120.51 2kl3 h ALA 52 Ca 0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2kl3 h ALA 52 Cb 0.49 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2kl3 h ALA 52 CO -0.28 0.11 -0.13 1.03 0.00 0.00 0.00 179.25 179.97 2kl3 h SER 53 N 0.35 0.00 0.15 0.00 0.87 -0.89 0.48 113.55 114.50 2kl3 h SER 53 Ca 0.10 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.33 2kl3 h SER 53 Cb 0.33 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2kl3 h SER 53 CO 0.00 0.13 -1.67 -1.28 -0.53 0.00 0.00 176.83 173.49 2kl3 h SER 54 N 0.00 0.48 0.05 6.23 0.87 -0.84 -3.41 113.55 116.93 2kl3 h SER 54 Ca -0.00 -0.90 -0.09 0.00 -1.23 0.00 0.00 61.79 59.56 2kl3 h SER 54 Cb 0.29 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2kl3 h SER 54 CO 0.02 1.74 -2.05 -1.20 -0.53 0.00 0.00 176.83 174.81 2kl3 n SER 55 N -3.71 0.05 -4.59 6.23 7.64 0.31 -5.01 113.62 114.53 2kl3 n SER 55 Ca -0.27 0.02 -0.24 0.00 1.01 0.00 0.00 58.87 59.39 2kl3 n SER 55 Cb 1.00 1.67 -0.08 0.00 -1.01 0.00 0.00 64.21 65.78 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 -4.81 2.95 0.04 -3.43 1.43 0.17 -5.04 118.68 109.98 2kl3 s LEU 56 Ca -0.08 -0.89 -0.06 0.00 -1.03 0.00 0.00 54.13 52.07 2kl3 s LEU 56 Cb 0.12 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.89 2kl3 s LEU 56 CO 0.88 -0.09 0.28 -0.70 0.23 0.00 0.00 176.35 176.95 2kl3 s GLU 57 N -3.65 3.58 0.56 1.70 2.12 -1.26 -4.58 118.70 117.16 2kl3 s GLU 57 Ca 0.32 -0.11 0.30 0.00 0.36 0.00 0.00 54.97 55.85 2kl3 s GLU 57 Cb -0.03 -3.03 1.68 0.00 0.26 0.00 0.00 34.13 33.00 2kl3 s GLU 57 CO 0.18 0.61 2.16 0.87 -0.54 0.00 0.00 175.26 178.55 2kl3 h LYS 58 N 3.68 0.00 -0.04 4.30 1.79 -1.92 -1.16 116.57 123.22 2kl3 h LYS 58 Ca -0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 2kl3 h LYS 58 Cb 1.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2kl3 h LYS 58 CO 0.68 0.06 0.00 0.43 -1.08 0.00 0.00 179.45 179.55 2kl3 n SER 59 N -3.62 2.01 -4.68 0.86 7.64 -1.26 0.19 113.62 114.75 2kl3 n SER 59 Ca -0.02 -1.68 -0.42 0.00 1.01 0.00 0.00 58.87 57.76 2kl3 n SER 59 Cb 0.17 -0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.33 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 -1.97 4.28 -0.52 1.43 6.06 -0.44 -4.67 118.95 123.13 2kl3 s ARG 60 Ca 0.35 1.87 -0.26 0.00 -2.50 0.00 0.00 55.73 55.18 2kl3 s ARG 60 Cb 0.21 -3.64 -0.06 0.00 0.06 0.00 0.00 34.95 31.52 2kl3 s ARG 60 CO 0.32 -0.59 2.30 -0.51 -2.50 0.00 0.00 175.30 174.32 2kl3 s ASP 61 N 1.93 4.60 -0.17 -2.12 1.01 -1.26 -4.37 116.67 116.30 2kl3 s ASP 61 Ca 0.61 0.92 -0.05 0.00 0.71 0.00 0.00 52.55 54.74 2kl3 s ASP 61 Cb -0.28 -2.51 -0.03 0.00 1.01 0.00 0.00 42.92 41.11 2kl3 s ASP 61 CO 0.24 -2.79 0.01 -0.63 0.21 0.00 0.00 175.17 172.21 2kl3 s ILE 62 N 11.60 4.35 -0.23 0.77 1.01 0.08 -0.84 121.20 137.94 2kl3 s ILE 62 Ca 0.91 -0.19 -0.04 0.00 0.00 0.00 0.00 60.65 61.33 2kl3 s ILE 62 Cb -0.16 -2.93 -0.00 0.00 0.01 0.00 0.00 42.46 39.38 2kl3 s ILE 62 CO 0.25 0.48 -0.04 -0.31 0.00 0.00 0.00 174.94 175.32 2kl3 s TYR 63 N 0.32 2.98 -0.09 3.97 2.02 0.80 -0.69 117.35 126.66 2kl3 s TYR 63 Ca -0.00 -1.05 -0.03 0.00 -0.37 0.00 0.00 57.07 55.61 2kl3 s TYR 63 Cb -0.13 -2.10 -0.04 0.00 -0.40 0.00 0.00 41.96 39.29 2kl3 s TYR 63 CO 0.02 -0.59 0.04 0.08 -1.57 0.00 0.00 175.55 173.53 2kl3 s VAL 64 N 1.45 4.65 -0.04 0.71 1.01 -0.01 -1.36 120.40 126.80 2kl3 s VAL 64 Ca 0.05 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.92 2kl3 s VAL 64 Cb -0.15 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.28 2kl3 s VAL 64 CO -0.03 0.61 -0.05 -0.72 0.00 0.00 0.00 175.10 174.91 2kl3 s TYR 65 N -0.93 0.76 0.15 5.22 1.13 -0.83 -0.08 117.35 122.78 2kl3 s TYR 65 Ca 0.14 -0.21 0.01 0.00 -1.41 0.00 0.00 57.07 55.60 2kl3 s TYR 65 Cb -0.12 -0.67 0.01 0.00 -1.10 0.00 0.00 41.96 40.08 2kl3 s TYR 65 CO 0.03 -0.19 0.11 0.41 -2.51 0.00 0.00 175.55 173.39 2kl3 n GLY 66 N 4.05 2.96 0.03 5.49 0.00 -1.26 -2.56 105.19 113.90 2kl3 n GLY 66 Ca -0.25 -2.20 0.14 0.00 0.00 0.00 0.00 46.02 43.70 2kl3 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kl3 n ALA 67 N -2.70 2.47 -3.18 4.61 0.00 -1.26 -4.23 120.51 116.22 2kl3 n ALA 67 Ca -0.05 -0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 2kl3 n ALA 67 Cb 0.17 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.15 2kl3 n ALA 67 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2kl3 s GLY 68 N -3.16 0.10 0.18 0.00 0.00 -1.26 -4.99 107.32 98.19 2kl3 s GLY 68 Ca 0.13 -0.44 -0.14 0.00 0.00 0.00 0.00 44.72 44.27 2kl3 s GLY 68 CO 0.57 -0.42 1.77 -0.55 0.00 0.00 0.00 173.10 174.47 2kl3 h ASP 69 N 2.28 0.29 -0.39 1.64 5.19 -1.93 -2.10 116.42 121.40 2kl3 h ASP 69 Ca -0.29 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.14 2kl3 h ASP 69 Cb 1.25 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.73 2kl3 h ASP 69 CO 0.39 0.21 0.18 -0.08 -3.12 0.00 0.00 179.24 176.82 2kl3 h GLU 70 N 0.43 0.56 -0.07 3.56 4.81 -1.98 -0.68 114.58 121.22 2kl3 h GLU 70 Ca 0.22 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2kl3 h GLU 70 Cb 0.16 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 2kl3 h GLU 70 CO -0.17 0.50 0.04 0.37 -0.73 0.00 0.00 179.01 179.02 2kl3 h GLN 71 N 0.49 0.09 -0.34 1.92 4.15 -1.91 0.14 115.11 119.65 2kl3 h GLN 71 Ca 0.13 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 2kl3 h GLN 71 Cb 0.13 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 2kl3 h GLN 71 CO -0.02 0.09 0.08 0.00 -1.93 0.00 0.00 178.83 177.05 2kl3 h THR 72 N 0.07 1.23 -0.55 2.39 1.03 -1.32 -1.26 112.91 114.49 2kl3 h THR 72 Ca 0.02 -0.77 -0.01 0.00 -0.01 0.00 0.00 66.41 65.65 2kl3 h THR 72 Cb 0.02 1.08 -0.03 0.00 -1.07 0.00 0.00 68.15 68.15 2kl3 h THR 72 CO -0.00 0.26 0.32 -1.28 -0.01 0.00 0.00 175.52 174.81 2kl3 h SER 73 N 0.40 0.68 -0.66 0.00 0.87 -1.04 -1.26 113.55 112.53 2kl3 h SER 73 Ca 0.11 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2kl3 h SER 73 Cb 0.31 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 2kl3 h SER 73 CO 0.00 0.55 0.32 -0.61 -0.53 0.00 0.00 176.83 176.57 2kl3 h GLN 74 N 0.74 0.94 -0.08 2.24 4.15 -0.57 0.06 115.11 122.60 2kl3 h GLN 74 Ca 0.20 -0.13 0.01 0.00 0.77 0.00 0.00 58.65 59.50 2kl3 h GLN 74 Cb 0.01 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 2kl3 h GLN 74 CO -0.03 0.74 -0.01 0.00 -1.93 0.00 0.00 178.83 177.60 2kl3 h ALA 75 N 1.15 0.07 -0.92 3.38 0.00 -1.00 -0.60 119.26 121.34 2kl3 h ALA 75 Ca 0.23 0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.30 2kl3 h ALA 75 Cb 0.11 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.85 2kl3 h ALA 75 CO -0.03 -0.47 0.53 0.28 0.00 0.00 0.00 179.25 179.56 2kl3 h VAL 76 N 0.02 0.80 -0.26 0.00 2.07 -0.89 -0.24 116.25 117.75 2kl3 h VAL 76 Ca 0.04 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.32 2kl3 h VAL 76 Cb 0.05 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.75 2kl3 h VAL 76 CO -0.07 0.14 0.09 -1.13 0.02 0.00 0.00 177.57 176.62 2kl3 h ASN 77 N 0.78 0.09 -0.57 0.57 -1.24 -0.35 -1.93 115.58 112.94 2kl3 h ASN 77 Ca 0.49 0.03 -0.05 0.00 0.71 0.00 0.00 56.30 57.48 2kl3 h ASN 77 Cb 0.62 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.66 2kl3 h ASN 77 CO -0.32 0.09 0.19 -0.07 -1.29 0.00 0.00 177.43 176.03 2kl3 h LEU 78 N 0.20 0.84 0.10 0.34 3.38 -0.01 0.18 115.31 120.35 2kl3 h LEU 78 Ca 0.11 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2kl3 h LEU 78 Cb 0.08 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2kl3 h LEU 78 CO -0.12 0.79 -0.05 -0.07 0.09 0.00 0.00 178.44 179.08 2kl3 h LEU 79 N 0.89 -0.12 -1.49 1.67 3.38 -0.91 -0.48 115.31 118.25 2kl3 h LEU 79 Ca 0.20 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2kl3 h LEU 79 Cb 0.25 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2kl3 h LEU 79 CO -0.01 0.18 -0.26 0.08 0.09 0.00 0.00 178.44 178.51 2kl3 h ARG 80 N -0.42 0.00 -0.17 1.13 0.11 -1.22 0.27 114.38 114.09 2kl3 h ARG 80 Ca -0.01 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.02 2kl3 h ARG 80 Cb 0.35 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.41 2kl3 h ARG 80 CO 0.02 0.26 -0.12 1.03 0.10 0.00 0.00 179.97 181.26 2kl3 h SER 81 N 0.00 0.25 0.17 0.08 0.87 -0.50 -2.42 113.55 112.00 2kl3 h SER 81 Ca -0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2kl3 h SER 81 Cb 0.48 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2kl3 h SER 81 CO 0.03 0.40 -0.03 0.00 -0.53 0.00 0.00 176.83 176.70 2kl3 n ALA 82 N -2.49 2.67 0.00 6.23 0.00 -0.02 -4.91 120.51 121.99 2kl3 n ALA 82 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2kl3 n ALA 82 Cb 0.27 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 1.15 1.33 3.64 0.00 0.00 -0.81 -5.04 105.19 105.46 2kl3 n GLY 83 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.09 1.32 -0.02 1.61 0.40 -0.57 -4.86 117.98 113.77 2kl3 s PHE 84 Ca 0.00 -0.15 -0.22 0.00 -0.60 0.00 0.00 56.93 55.96 2kl3 s PHE 84 Cb 0.00 -4.14 -0.23 0.00 0.51 0.00 0.00 43.02 39.15 2kl3 s PHE 84 CO 0.00 -5.03 1.07 0.93 0.70 0.00 0.00 175.22 172.89 2kl3 h GLU 85 N 11.61 0.28 -3.92 0.44 5.08 -0.59 -3.35 114.58 124.13 2kl3 h GLU 85 Ca -0.46 -0.29 -0.78 0.00 -1.00 0.00 0.00 59.36 56.82 2kl3 h GLU 85 Cb 1.23 0.08 -0.25 0.00 0.50 0.00 0.00 28.75 30.31 2kl3 h GLU 85 CO 0.95 0.99 0.19 -1.01 -1.00 0.00 0.00 179.01 179.13 2kl3 s HIS 86 N -3.20 3.75 -0.04 4.33 3.76 -1.09 -5.00 115.29 117.80 2kl3 s HIS 86 Ca -0.15 -2.00 -0.02 0.00 -0.15 0.00 0.00 55.06 52.74 2kl3 s HIS 86 Cb 0.02 -3.86 0.02 0.00 1.11 0.00 0.00 32.58 29.87 2kl3 s HIS 86 CO 0.78 -1.03 0.09 0.08 -0.85 0.00 0.00 174.74 173.80 2kl3 s VAL 87 N 0.27 -0.02 0.02 -0.90 1.01 -1.26 -0.74 120.40 118.79 2kl3 s VAL 87 Ca 0.20 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.27 2kl3 s VAL 87 Cb -0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.13 2kl3 s VAL 87 CO -0.09 0.03 -0.05 -0.55 0.00 0.00 0.00 175.10 174.44 2kl3 s SER 88 N 0.44 0.55 -0.00 3.32 0.15 0.14 -4.84 113.70 113.45 2kl3 s SER 88 Ca -0.03 -0.40 -0.15 0.00 0.70 0.00 0.00 55.95 56.06 2kl3 s SER 88 Cb -0.05 0.03 -0.06 0.00 -1.71 0.00 0.00 66.02 64.24 2kl3 s SER 88 CO -0.02 -0.17 0.41 -1.83 1.20 0.00 0.00 173.24 172.84 2kl3 s GLU 89 N -1.15 3.94 -0.51 5.44 -1.05 -0.65 -0.83 118.70 123.90 2kl3 s GLU 89 Ca -0.09 0.42 -0.22 0.00 -0.15 0.00 0.00 54.97 54.93 2kl3 s GLU 89 Cb -0.08 -3.23 0.04 0.00 -0.44 0.00 0.00 34.13 30.42 2kl3 s GLU 89 CO -0.00 0.67 0.76 -1.17 0.95 0.00 0.00 175.26 176.46 2kl3 s LEU 90 N -0.99 4.50 0.26 1.83 2.96 0.89 0.19 118.68 128.31 2kl3 s LEU 90 Ca 0.24 -0.53 -0.30 0.00 -0.22 0.00 0.00 54.13 53.32 2kl3 s LEU 90 Cb -0.17 -2.69 -0.11 0.00 0.50 0.00 0.00 46.19 43.73 2kl3 s LEU 90 CO 0.13 -1.00 1.56 -0.54 -1.32 0.00 0.00 176.35 175.18 2kl3 s LYS 91 N 3.21 4.18 0.00 1.98 1.02 0.37 -2.39 119.74 128.11 2kl3 s LYS 91 Ca 0.23 2.47 0.00 0.00 0.02 0.00 0.00 55.97 58.70 2kl3 s LYS 91 Cb -0.15 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 2kl3 s LYS 91 CO 0.17 -0.58 0.00 0.41 -0.92 0.00 0.00 175.35 174.43 2kl3 n GLY 92 N 2.50 2.36 7.00 -3.33 0.00 -1.26 -3.61 105.19 108.85 2kl3 n GLY 92 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.00 0.97 0.30 -0.02 0.00 -1.00 -2.14 105.19 101.29 2kl3 n GLY 93 Ca 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 46.02 45.23 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 0.80 -0.55 0.99 5.85 -1.91 -2.77 115.31 117.72 2kl3 h LEU 94 Ca 0.00 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.59 2kl3 h LEU 94 Cb 0.00 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 2kl3 h LEU 94 CO 0.00 0.81 0.31 0.00 -0.34 0.00 0.00 178.44 179.22 2kl3 h ALA 95 N 1.28 0.71 -0.54 1.25 0.00 -1.93 0.25 119.26 120.29 2kl3 h ALA 95 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2kl3 h ALA 95 Cb 0.36 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2kl3 h ALA 95 CO 0.01 -0.00 0.16 0.00 0.00 0.00 0.00 179.25 179.42 2kl3 h ALA 96 N 1.27 0.71 -1.01 0.00 0.00 -1.37 0.18 119.26 119.04 2kl3 h ALA 96 Ca 0.23 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2kl3 h ALA 96 Cb 0.08 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.58 2kl3 h ALA 96 CO -0.13 0.37 0.64 2.35 0.00 0.00 0.00 179.25 182.48 2kl3 h TRP 97 N 0.75 1.15 0.07 0.00 2.91 -1.02 -2.14 115.95 117.66 2kl3 h TRP 97 Ca 0.17 0.03 -0.27 0.00 1.13 0.00 0.00 58.89 59.95 2kl3 h TRP 97 Cb 0.29 -0.37 0.02 0.00 -0.51 0.00 0.00 29.16 28.59 2kl3 h TRP 97 CO 0.02 0.47 -1.14 0.87 -1.03 0.00 0.00 178.44 177.63 2kl3 h LYS 98 N 1.02 0.55 -0.90 2.65 1.57 -0.17 0.21 116.57 121.49 2kl3 h LYS 98 Ca 0.49 -0.68 0.06 0.00 -1.87 0.00 0.00 60.65 58.65 2kl3 h LYS 98 Cb 0.46 0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.92 2kl3 h LYS 98 CO -0.26 1.29 0.57 0.00 -0.57 0.00 0.00 179.45 180.48 2kl3 h ALA 99 N 0.45 1.24 -0.01 3.86 0.00 -0.19 0.51 119.26 125.13 2kl3 h ALA 99 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kl3 h ALA 99 Cb 1.80 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2kl3 h ALA 99 CO 0.21 0.34 0.00 0.44 0.00 0.00 0.00 179.25 180.24 2kl3 n ILE 100 N -4.58 0.01 -3.08 0.00 -5.35 -0.85 -4.87 119.36 100.65 2kl3 n ILE 100 Ca 0.13 -0.01 -0.15 0.00 -0.27 0.00 0.00 62.75 62.45 2kl3 n ILE 100 Cb 0.17 -0.02 0.04 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 0.54 0.01 3.80 3.28 0.00 0.17 -5.01 105.19 107.98 2kl3 n GLY 101 Ca 0.01 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 2kl3 n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kl3 s GLY 102 N -3.11 2.21 -0.12 -0.02 0.00 0.75 -4.96 107.32 102.07 2kl3 s GLY 102 Ca 0.32 0.44 -0.29 0.00 0.00 0.00 0.00 44.72 45.19 2kl3 s GLY 102 CO 0.40 0.76 2.01 2.56 0.00 0.00 0.00 173.10 178.83 2kl3 s PRO 103 N -3.89 3.64 0.20 2.90 0.04 -1.26 -4.75 135.00 131.87 2kl3 s PRO 103 Ca 0.64 2.19 0.07 0.00 0.04 0.00 0.00 61.00 63.94 2kl3 s PRO 103 Cb -0.16 -4.23 -0.05 0.00 0.04 0.00 0.00 34.50 30.10 2kl3 s PRO 103 CO 0.33 -1.52 -0.13 0.95 0.04 0.00 0.00 177.00 176.68 2kl3 s THR 104 N 6.27 1.63 0.27 1.26 -4.23 -1.26 -1.57 115.64 118.00 2kl3 s THR 104 Ca 0.91 -2.18 0.03 0.00 -1.18 0.00 0.00 61.69 59.27 2kl3 s THR 104 Cb -0.35 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 2kl3 s THR 104 CO 0.37 -0.58 0.20 -1.61 -0.54 0.00 0.00 174.62 172.45 2kl3 s GLU 105 N -3.67 1.48 0.00 3.99 2.02 0.44 -4.69 118.70 118.26 2kl3 s GLU 105 Ca 0.22 -1.82 0.00 0.00 0.02 0.00 0.00 54.97 53.39 2kl3 s GLU 105 Cb 0.00 0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.51 2kl3 s GLU 105 CO 0.06 -0.51 0.00 0.41 0.02 0.00 0.00 175.26 175.24 2kl3 n GLY 106 N -0.45 1.02 0.13 -1.39 0.00 -1.26 -0.17 105.19 103.07 2kl3 n GLY 106 Ca 0.05 -1.97 -0.22 0.00 0.00 0.00 0.00 46.02 43.88 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 0.75 0.03 -0.61 2.04 -0.06 -3.38 117.51 116.29 2kl3 h ILE 107 Ca 0.00 -2.28 -0.23 0.00 1.00 0.00 0.00 64.86 63.35 2kl3 h ILE 107 Cb 0.00 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 2kl3 h ILE 107 CO 0.00 0.65 -1.01 0.40 0.00 0.00 0.00 178.15 178.19 2kl3 h ILE 108 N -0.38 1.44 0.00 -0.67 5.03 -0.55 -3.31 117.51 119.07 2kl3 h ILE 108 Ca -0.39 -2.62 -0.65 0.00 -0.12 0.00 0.00 64.86 61.07 2kl3 h ILE 108 Cb 1.73 2.56 0.00 0.00 -3.03 0.00 0.00 36.82 38.08 2kl3 h ILE 108 CO -0.03 0.78 3.30 -0.62 -0.68 0.00 0.00 178.15 180.89 2kl3 n GLU 109 N -3.68 2.98 0.00 2.37 -0.58 -1.03 -3.03 120.64 117.67 2kl3 n GLU 109 Ca -0.07 -2.25 0.00 0.00 -0.42 0.00 0.00 57.16 54.42 2kl3 n GLU 109 Cb 0.88 -2.97 0.00 0.00 -0.57 0.00 0.00 31.44 28.77 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 5.04 0.00 -4.59 1.62 2.88 -1.26 -4.11 113.62 113.20 2kl3 n SER 110 Ca 0.62 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.87 2kl3 n SER 110 Cb 0.30 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.91 2kl3 n SER 110 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kl3 s ARG 111 N -0.50 0.92 -0.05 -1.46 1.70 -1.17 -5.02 118.95 113.37 2kl3 s ARG 111 Ca 0.00 0.11 -0.25 0.00 -0.47 0.00 0.00 55.73 55.12 2kl3 s ARG 111 Cb 0.00 -1.83 -0.03 0.00 -0.57 0.00 0.00 34.95 32.52 2kl3 s ARG 111 CO 0.00 -2.31 0.78 0.95 -1.08 0.00 0.00 175.30 173.63 2kl3 s THR 112 N -3.39 5.00 -0.34 4.99 -4.23 -1.26 -5.05 115.64 111.35 2kl3 s THR 112 Ca 0.66 1.61 -0.16 0.00 -1.18 0.00 0.00 61.69 62.62 2kl3 s THR 112 Cb -0.12 -4.12 -0.01 0.00 1.34 0.00 0.00 72.50 69.60 2kl3 s THR 112 CO 0.53 0.23 0.40 -2.16 -0.54 0.00 0.00 174.62 173.08 2kl3 s PRO 113 N 0.86 3.57 0.18 3.99 0.04 -1.26 -5.02 135.00 137.35 2kl3 s PRO 113 Ca 0.41 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.09 2kl3 s PRO 113 Cb -0.19 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.55 2kl3 s PRO 113 CO 0.21 -0.56 0.00 0.00 0.04 0.00 0.00 177.00 176.69 2kl3 n ALA 114 N 5.47 -1.47 -2.59 8.56 0.00 -1.26 -5.10 120.51 124.12 2kl3 n ALA 114 Ca -0.08 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2kl3 n ALA 114 Cb 0.49 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.96 4.71 3.15 0.00 0.00 -1.26 -5.16 105.19 103.67 2kl3 n GLY 115 Ca -0.01 -0.54 0.04 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.59 -2.89 -0.05 4.61 0.00 -1.26 -5.16 121.76 115.42 2kl3 s ALA 116 Ca 0.00 1.24 0.01 0.00 0.00 0.00 0.00 51.96 53.21 2kl3 s ALA 116 Cb 0.00 -2.58 0.02 0.00 0.00 0.00 0.00 23.12 20.56 2kl3 s ALA 116 CO 0.00 -1.83 -0.06 -0.51 0.00 0.00 0.00 175.76 173.36 2kl3 s ASP 117 N 2.87 1.08 0.25 0.00 1.01 -1.26 -5.15 116.67 115.47 2kl3 s ASP 117 Ca 0.15 -0.16 -0.16 0.00 0.71 0.00 0.00 52.55 53.10 2kl3 s ASP 117 Cb -0.08 -0.51 0.01 0.00 1.01 0.00 0.00 42.92 43.34 2kl3 s ASP 117 CO -0.24 -0.04 0.55 -0.62 0.21 0.00 0.00 175.17 175.04 2kl3 s ASP 118 N 0.86 -0.16 -0.06 0.27 -1.08 -1.26 -5.09 116.67 110.14 2kl3 s ASP 118 Ca -0.12 -0.77 -0.10 0.00 -0.52 0.00 0.00 52.55 51.04 2kl3 s ASP 118 Cb -0.15 0.63 -0.04 0.00 -1.46 0.00 0.00 42.92 41.90 2kl3 s ASP 118 CO 0.01 -1.19 -0.19 0.00 0.52 0.00 0.00 175.17 174.32 2kl3 n TYR 119 N -0.40 0.00 0.00 -5.34 9.36 -1.26 -5.00 117.16 114.52 2kl3 n TYR 119 Ca -0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.18 2kl3 n TYR 119 Cb 0.61 -0.30 0.00 0.00 -0.63 0.00 0.00 39.34 39.02 2kl3 n TYR 119 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2kl3 n ASN 120 N -3.99 0.00 -2.35 2.98 4.13 -1.26 -4.88 115.26 109.89 2kl3 n ASN 120 Ca -0.10 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 55.89 2kl3 n ASN 120 Cb 0.33 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.50 2kl3 n ASN 120 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2kl3 n VAL 121 N 0.00 0.00 -3.23 2.41 0.31 -1.26 -4.89 118.33 111.67 2kl3 n VAL 121 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 2kl3 n VAL 121 Cb 0.00 -0.27 -0.06 0.00 -0.91 0.00 0.00 33.84 32.61 2kl3 n VAL 121 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2kl3 s VAL 122 N 3.99 5.13 -0.08 2.52 1.01 -1.26 -5.07 120.40 126.64 2kl3 s VAL 122 Ca 0.69 1.11 -0.04 0.00 0.00 0.00 0.00 61.98 63.74 2kl3 s VAL 122 Cb -0.74 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 31.78 2kl3 s VAL 122 CO 0.31 0.31 0.18 -0.55 0.00 0.00 0.00 175.10 175.35 2kl3 s SER 123 N 0.61 -0.16 0.00 3.32 0.15 -1.26 -5.04 113.70 111.32 2kl3 s SER 123 Ca 0.30 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.31 2kl3 s SER 123 Cb -0.16 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 2kl3 s SER 123 CO 0.13 -0.14 0.00 -1.14 1.20 0.00 0.00 173.24 173.29 2kl3 n ARG 124 N 4.00 0.00 -3.01 5.44 0.63 -1.26 -5.14 116.66 117.33 2kl3 n ARG 124 Ca -0.24 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.69 2kl3 n ARG 124 Cb 0.53 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.44 2kl3 n ARG 124 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2kl3 n LEU 125 N -2.32 -5.03 -4.56 6.15 0.00 -1.26 -5.01 117.00 104.97 2kl3 n LEU 125 Ca 0.00 0.92 -0.34 0.00 0.00 0.00 0.00 56.01 56.59 2kl3 n LEU 125 Cb 0.00 -2.13 -0.11 0.00 0.00 0.00 0.00 43.42 41.18 2kl3 n LEU 125 CO 0.00 -2.33 -0.34 -0.70 0.00 0.00 0.00 177.39 174.02 2kl3 s GLU 126 N -0.93 3.42 -0.36 1.96 -6.30 -1.26 -5.08 118.70 110.15 2kl3 s GLU 126 Ca -0.03 -0.49 0.05 0.00 -2.50 0.00 0.00 54.97 52.00 2kl3 s GLU 126 Cb 0.00 -2.86 0.17 0.00 0.00 0.00 0.00 34.13 31.44 2kl3 s GLU 126 CO 0.25 0.40 0.48 -1.58 0.02 0.00 0.00 175.26 174.83 2kl3 s HIS 127 N -0.06 -1.03 -0.14 5.30 5.65 -1.26 -5.12 115.29 118.63 2kl3 s HIS 127 Ca 0.02 -0.06 -0.05 0.00 0.25 0.00 0.00 55.06 55.22 2kl3 s HIS 127 Cb -0.13 -0.07 0.07 0.00 -1.18 0.00 0.00 32.58 31.27 2kl3 s HIS 127 CO 0.02 -1.05 0.28 -1.01 -0.65 0.00 0.00 174.74 172.34 2kl3 s HIS 128 N 1.95 -0.46 -0.29 3.88 3.76 -1.26 -5.15 115.29 117.73 2kl3 s HIS 128 Ca 0.14 1.02 -0.14 0.00 -0.15 0.00 0.00 55.06 55.93 2kl3 s HIS 128 Cb -0.11 0.00 0.12 0.00 1.11 0.00 0.00 32.58 33.71 2kl3 s HIS 128 CO -0.13 -0.36 0.79 -1.58 -0.85 0.00 0.00 174.74 172.61 2kl3 s HIS 129 N 2.39 -0.97 0.00 1.40 2.46 -1.26 -5.14 115.29 114.17 2kl3 s HIS 129 Ca 0.01 1.82 0.00 0.00 0.47 0.00 0.00 55.06 57.35 2kl3 s HIS 129 Cb -0.12 0.58 0.00 0.00 -0.13 0.00 0.00 32.58 32.91 2kl3 s HIS 129 CO -0.09 -0.48 0.00 0.72 -2.47 0.00 0.00 174.74 172.42 2kl3 n HIS 130 N 4.60 0.00 -3.73 3.88 8.25 -1.26 -5.14 115.22 121.82 2kl3 n HIS 130 Ca -0.16 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.19 2kl3 n HIS 130 Cb 0.55 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.59 2kl3 n HIS 130 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kl3 s HIS 131 N 1.15 -0.12 0.00 4.41 3.76 -1.26 -5.37 115.29 117.86 2kl3 s HIS 131 Ca 0.00 -0.07 0.00 0.00 -0.15 0.00 0.00 55.06 54.84 2kl3 s HIS 131 Cb 0.00 0.12 0.00 0.00 1.11 0.00 0.00 32.58 33.81 2kl3 s HIS 131 CO 0.00 -0.55 0.00 1.58 -0.85 0.00 0.00 174.74 174.92