#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl3 s GLU 2 N 0.00 3.41 0.59 2.12 2.02 -1.26 -4.91 118.70 120.67 2kl3 s GLU 2 Ca 0.00 1.73 0.29 0.00 0.02 0.00 0.00 54.97 57.01 2kl3 s GLU 2 Cb 0.00 -2.13 1.45 0.00 0.10 0.00 0.00 34.13 33.55 2kl3 s GLU 2 CO 0.00 -0.83 1.86 -1.00 0.02 0.00 0.00 175.26 175.31 2kl3 h PRO 3 N 1.43 0.00 -5.03 0.39 0.13 -1.97 -3.42 132.00 123.52 2kl3 h PRO 3 Ca -0.50 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.17 2kl3 h PRO 3 Cb 1.27 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.26 2kl3 h PRO 3 CO 0.58 0.00 -0.57 1.14 -0.23 0.00 0.00 178.00 178.91 2kl3 s GLN 4 N -4.64 1.67 0.01 0.86 1.03 -1.26 -0.45 119.66 116.89 2kl3 s GLN 4 Ca -0.04 -1.96 -0.21 0.00 0.04 0.00 0.00 55.36 53.19 2kl3 s GLN 4 Cb 0.16 -0.50 0.04 0.00 0.03 0.00 0.00 33.01 32.74 2kl3 s GLN 4 CO 0.56 -0.35 0.46 0.45 -2.54 0.00 0.00 175.29 173.87 2kl3 s SER 5 N -3.46 -0.36 0.53 12.60 0.15 -0.77 -4.81 113.70 117.58 2kl3 s SER 5 Ca 0.33 0.19 -0.15 0.00 0.70 0.00 0.00 55.95 57.01 2kl3 s SER 5 Cb 0.06 0.43 -0.07 0.00 -1.71 0.00 0.00 66.02 64.73 2kl3 s SER 5 CO 0.15 -0.61 0.99 -0.62 1.20 0.00 0.00 173.24 174.35 2kl3 s ASP 6 N -1.68 6.56 0.10 5.45 -1.08 -1.26 -1.08 116.67 123.67 2kl3 s ASP 6 Ca -0.08 1.53 -0.23 0.00 -0.52 0.00 0.00 52.55 53.25 2kl3 s ASP 6 Cb -0.02 -2.50 -0.10 0.00 -1.46 0.00 0.00 42.92 38.84 2kl3 s ASP 6 CO 0.02 -0.63 1.71 0.00 0.52 0.00 0.00 175.17 176.78 2kl3 h ALA 7 N 0.72 -0.08 0.00 3.66 0.00 -1.93 -2.07 119.26 119.55 2kl3 h ALA 7 Ca -0.46 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 2kl3 h ALA 7 Cb 1.19 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2kl3 h ALA 7 CO 0.62 -0.57 -0.45 1.12 0.00 0.00 0.00 179.25 179.96 2kl3 h HIS 8 N -0.13 0.00 -0.40 0.00 2.07 -1.94 0.58 115.15 115.32 2kl3 h HIS 8 Ca 0.03 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.55 2kl3 h HIS 8 Cb 0.17 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.13 2kl3 h HIS 8 CO -0.14 0.45 0.24 0.28 -3.07 0.00 0.00 177.93 175.69 2kl3 h VAL 9 N 0.00 1.13 -0.18 6.12 2.07 -1.91 0.17 116.25 123.65 2kl3 h VAL 9 Ca -0.00 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 2kl3 h VAL 9 Cb 1.06 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2kl3 h VAL 9 CO 0.06 0.13 -0.07 0.25 0.02 0.00 0.00 177.57 177.96 2kl3 h LEU 10 N 0.53 0.38 -0.94 2.57 5.85 -1.18 -0.63 115.31 121.89 2kl3 h LEU 10 Ca 0.14 -0.39 0.13 0.00 0.84 0.00 0.00 57.88 58.60 2kl3 h LEU 10 Cb 0.00 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 40.84 2kl3 h LEU 10 CO -0.03 0.69 0.57 0.50 -0.34 0.00 0.00 178.44 179.83 2kl3 h LYS 11 N 0.07 0.84 -0.01 1.25 3.64 -0.76 0.27 116.57 121.88 2kl3 h LYS 11 Ca 0.04 -0.05 -0.25 0.00 -1.27 0.00 0.00 60.65 59.12 2kl3 h LYS 11 Cb 0.54 -0.19 0.02 0.00 -0.41 0.00 0.00 32.23 32.19 2kl3 h LYS 11 CO 0.02 0.56 -0.99 0.77 -2.27 0.00 0.00 179.45 177.54 2kl3 h SER 12 N 0.87 0.88 0.04 4.20 0.02 -0.60 -1.13 113.55 117.83 2kl3 h SER 12 Ca 0.48 -0.73 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 2kl3 h SER 12 Cb 0.54 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 2kl3 h SER 12 CO -0.29 1.50 -0.03 -0.09 -1.14 0.00 0.00 176.83 176.78 2kl3 h ARG 13 N 0.36 0.00 0.07 3.45 2.43 -0.50 0.50 114.38 120.69 2kl3 h ARG 13 Ca -0.12 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2kl3 h ARG 13 Cb 1.65 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.20 2kl3 h ARG 13 CO 0.20 0.03 -0.03 1.25 -1.51 0.00 0.00 179.97 179.91 2kl3 h LEU 14 N 0.00 -0.08 0.00 3.80 5.85 -0.17 -2.43 115.31 122.28 2kl3 h LEU 14 Ca -0.00 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2kl3 h LEU 14 Cb 0.07 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.12 2kl3 h LEU 14 CO 0.00 0.59 -0.44 -0.33 -0.34 0.00 0.00 178.44 177.92 2kl3 h GLU 15 N -0.96 0.00 0.00 1.25 5.08 -1.18 -3.41 114.58 115.36 2kl3 h GLU 15 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2kl3 h GLU 15 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2kl3 h GLU 15 CO 0.02 0.00 -0.80 0.91 -1.00 0.00 0.00 179.01 178.14 2kl3 n TRP 16 N -2.71 0.00 -0.02 4.33 7.02 0.14 -5.07 117.44 121.13 2kl3 n TRP 16 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 2kl3 n TRP 16 Cb 0.51 0.07 0.00 0.00 -2.42 0.00 0.00 31.31 29.47 2kl3 n TRP 16 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2kl3 n GLY 17 N 2.83 0.93 3.49 6.99 0.00 0.62 -4.96 105.19 115.10 2kl3 n GLY 17 Ca 0.00 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 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 0.15 3.20 0.00 1.61 2.12 -1.07 -4.78 118.70 119.93 2kl3 s GLU 18 Ca 0.00 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 54.76 2kl3 s GLU 18 Cb 0.00 -3.99 0.00 0.00 0.26 0.00 0.00 34.13 30.40 2kl3 s GLU 18 CO 0.00 -1.03 0.58 -2.30 -0.54 0.00 0.00 175.26 171.97 2kl3 n PRO 19 N 6.12 0.83 -0.61 4.30 -0.02 -1.25 -4.47 135.00 139.89 2kl3 n PRO 19 Ca -0.04 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.41 2kl3 n PRO 19 Cb 0.47 -1.28 -0.05 0.00 -0.02 0.00 0.00 33.50 32.62 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 0.29 4.52 -2.26 3.55 0.00 -1.26 -4.83 120.51 120.53 2kl3 n ALA 20 Ca 0.00 -0.52 -0.08 0.00 0.00 0.00 0.00 53.44 52.85 2kl3 n ALA 20 Cb 0.29 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.21 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 0.41 0.42 -0.04 0.00 -0.71 -1.26 -4.07 117.98 112.73 2kl3 s PHE 21 Ca 0.19 -0.92 0.06 0.00 -1.04 0.00 0.00 56.93 55.22 2kl3 s PHE 21 Cb 0.09 -0.30 -0.01 0.00 -1.21 0.00 0.00 43.02 41.59 2kl3 s PHE 21 CO 0.00 -0.40 -0.21 0.99 -1.34 0.00 0.00 175.22 174.26 2kl3 s THR 22 N -3.72 1.71 -0.18 -4.49 2.01 -0.04 -5.00 115.64 105.92 2kl3 s THR 22 Ca 0.05 -0.89 -0.09 0.00 0.31 0.00 0.00 61.69 61.07 2kl3 s THR 22 Cb 0.06 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 71.08 2kl3 s THR 22 CO -0.09 0.48 0.11 -0.63 -0.69 0.00 0.00 174.62 173.79 2kl3 s ILE 23 N -0.21 5.19 -0.13 1.82 1.09 -1.26 -0.28 121.20 127.43 2kl3 s ILE 23 Ca 0.00 0.11 -0.01 0.00 -1.10 0.00 0.00 60.65 59.66 2kl3 s ILE 23 Cb -0.11 -3.35 -0.02 0.00 -1.06 0.00 0.00 42.46 37.92 2kl3 s ILE 23 CO 0.02 0.47 -0.10 -0.76 -0.10 0.00 0.00 174.94 174.46 2kl3 s LEU 24 N 0.19 2.89 -0.68 2.97 1.43 0.24 -0.35 118.68 125.38 2kl3 s LEU 24 Ca 0.07 -0.24 -0.19 0.00 -1.03 0.00 0.00 54.13 52.74 2kl3 s LEU 24 Cb -0.12 -1.66 0.11 0.00 0.03 0.00 0.00 46.19 44.56 2kl3 s LEU 24 CO -0.01 0.19 0.82 -0.62 0.23 0.00 0.00 176.35 176.97 2kl3 s ASP 25 N 0.21 6.30 0.00 2.29 -1.08 -0.67 -2.03 116.67 121.69 2kl3 s ASP 25 Ca -0.06 -1.55 0.21 0.00 -0.52 0.00 0.00 52.55 50.63 2kl3 s ASP 25 Cb -0.15 -2.33 0.59 0.00 -1.46 0.00 0.00 42.92 39.57 2kl3 s ASP 25 CO 0.04 -1.12 1.47 1.33 0.52 0.00 0.00 175.17 177.41 2kl3 n VAL 26 N 5.48 0.34 0.04 1.11 0.24 -1.06 -3.29 118.33 121.18 2kl3 n VAL 26 Ca -0.01 -0.52 -0.01 0.00 -2.04 0.00 0.00 64.34 61.75 2kl3 n VAL 26 Cb 0.44 0.64 -0.01 0.00 -1.47 0.00 0.00 33.84 33.44 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 3.19 -0.09 -1.21 7.34 3.08 -1.84 -1.27 114.38 123.57 2kl3 h ARG 27 Ca 0.00 0.01 0.30 0.00 0.07 0.00 0.00 59.98 60.36 2kl3 h ARG 27 Cb 0.70 0.02 -0.20 0.00 0.08 0.00 0.00 29.97 30.57 2kl3 h ARG 27 CO 0.00 -0.06 0.92 0.34 -1.07 0.00 0.00 179.97 180.10 2kl3 s ASP 28 N -2.46 -0.06 0.32 7.04 2.15 -1.26 -4.46 116.67 117.94 2kl3 s ASP 28 Ca -0.01 0.00 0.01 0.00 0.43 0.00 0.00 52.55 52.98 2kl3 s ASP 28 Cb 0.00 0.06 0.56 0.00 -0.30 0.00 0.00 42.92 43.24 2kl3 s ASP 28 CO 0.04 -0.10 1.95 -0.09 -0.17 0.00 0.00 175.17 176.80 2kl3 h ARG 29 N 2.00 0.96 0.15 4.34 9.65 -1.94 0.25 114.38 129.78 2kl3 h ARG 29 Ca -0.04 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.77 2kl3 h ARG 29 Cb 1.14 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.51 2kl3 h ARG 29 CO 0.20 0.63 -0.07 0.66 2.80 0.00 0.00 179.97 184.19 2kl3 h SER 30 N 0.98 -0.17 -0.02 -3.80 4.64 -2.00 -2.77 113.55 110.42 2kl3 h SER 30 Ca 0.33 -0.35 0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2kl3 h SER 30 Cb 0.07 0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2kl3 h SER 30 CO -0.10 0.31 0.02 0.74 -0.87 0.00 0.00 176.83 176.93 2kl3 h THR 31 N -0.71 0.99 0.24 2.95 2.02 -1.89 0.12 112.91 116.63 2kl3 h THR 31 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2kl3 h THR 31 Cb 0.51 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2kl3 h THR 31 CO 0.03 0.00 -0.22 0.22 0.37 0.00 0.00 175.52 175.92 2kl3 h TYR 32 N 0.00 -0.58 -0.61 3.16 3.20 -0.48 -0.81 116.97 120.85 2kl3 h TYR 32 Ca 0.01 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 2kl3 h TYR 32 Cb 0.04 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 2kl3 h TYR 32 CO 0.00 -0.33 0.29 -0.91 -1.64 0.00 0.00 178.16 175.57 2kl3 h ASN 33 N -0.49 0.78 -0.33 -2.11 2.35 -0.98 -2.92 115.58 111.88 2kl3 h ASN 33 Ca -0.01 -0.08 0.03 0.00 -0.55 0.00 0.00 56.30 55.69 2kl3 h ASN 33 Cb 0.45 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 2kl3 h ASN 33 CO -0.04 0.67 0.16 -0.78 -1.65 0.00 0.00 177.43 175.79 2kl3 h ASP 34 N 0.86 0.22 -0.16 5.81 1.82 -0.46 0.49 116.42 125.00 2kl3 h ASP 34 Ca 0.21 0.02 0.26 0.00 -0.39 0.00 0.00 57.03 57.14 2kl3 h ASP 34 Cb 0.10 -0.02 -0.20 0.00 0.68 0.00 0.00 39.33 39.89 2kl3 h ASP 34 CO -0.03 0.17 0.17 -0.83 -1.61 0.00 0.00 179.24 177.11 2kl3 s GLY 35 N -2.61 -0.42 0.15 -0.78 0.00 -0.34 -0.23 107.32 103.10 2kl3 s GLY 35 Ca -0.13 2.75 0.09 0.00 0.00 0.00 0.00 44.72 47.42 2kl3 s GLY 35 CO 0.71 4.00 -0.20 -2.38 0.00 0.00 0.00 173.10 175.23 2kl3 s HIS 36 N 2.98 1.88 0.42 1.90 -3.43 0.14 -4.75 115.29 114.42 2kl3 s HIS 36 Ca 0.06 -0.44 -0.26 0.00 -0.80 0.00 0.00 55.06 53.62 2kl3 s HIS 36 Cb -0.06 -0.96 -0.10 0.00 -1.43 0.00 0.00 32.58 30.03 2kl3 s HIS 36 CO -0.13 0.32 1.30 -0.89 -2.00 0.00 0.00 174.74 173.33 2kl3 n ILE 37 N 0.49 2.54 -1.69 -5.38 5.41 -1.26 0.04 119.36 119.51 2kl3 n ILE 37 Ca -0.15 -0.50 -0.40 0.00 1.00 0.00 0.00 62.75 62.71 2kl3 n ILE 37 Cb 0.56 -1.61 -0.03 0.00 -0.71 0.00 0.00 39.64 37.85 2kl3 n ILE 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 176.55 176.23 2kl3 s MET 38 N -2.21 2.69 0.00 0.38 -2.45 -0.72 -1.52 119.30 115.47 2kl3 s MET 38 Ca 0.60 1.54 0.00 0.00 -1.25 0.00 0.00 55.69 56.59 2kl3 s MET 38 Cb -0.50 -4.44 0.00 0.00 1.25 0.00 0.00 34.83 31.14 2kl3 s MET 38 CO 0.58 -2.61 0.00 0.41 1.05 0.00 0.00 175.02 174.45 2kl3 n GLY 39 N 5.81 1.26 3.93 2.11 0.00 -1.26 -4.97 105.19 112.07 2kl3 n GLY 39 Ca 0.31 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.07 2kl3 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kl3 s ALA 40 N -2.00 3.33 0.03 4.61 0.00 -0.57 -4.49 121.76 122.68 2kl3 s ALA 40 Ca 0.00 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.08 2kl3 s ALA 40 Cb 0.00 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 2kl3 s ALA 40 CO 0.00 -1.03 -0.04 -1.64 0.00 0.00 0.00 175.76 173.06 2kl3 s MET 41 N -5.07 2.56 -1.39 0.00 -1.94 0.53 -4.97 119.30 109.03 2kl3 s MET 41 Ca 0.57 -0.75 -0.14 0.00 -1.71 0.00 0.00 55.69 53.65 2kl3 s MET 41 Cb -0.11 -2.53 0.07 0.00 2.01 0.00 0.00 34.83 34.27 2kl3 s MET 41 CO 0.44 0.58 2.04 0.00 -0.01 0.00 0.00 175.02 178.07 2kl3 n ALA 42 N 1.19 4.98 -3.87 3.03 0.00 -1.26 -1.67 120.51 122.91 2kl3 n ALA 42 Ca -0.14 -3.94 -0.30 0.00 0.00 0.00 0.00 53.44 49.06 2kl3 n ALA 42 Cb 0.52 -3.47 -0.13 0.00 0.00 0.00 0.00 19.45 16.37 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 3.03 1.84 0.26 0.00 -1.94 -1.24 -5.00 119.30 116.25 2kl3 s MET 43 Ca 0.48 -2.55 -0.30 0.00 -1.71 0.00 0.00 55.69 51.61 2kl3 s MET 43 Cb 0.10 -3.03 -0.09 0.00 2.01 0.00 0.00 34.83 33.82 2kl3 s MET 43 CO -0.03 -1.15 1.00 -1.25 -0.01 0.00 0.00 175.02 173.57 2kl3 s PRO 44 N -0.27 4.76 0.60 2.03 0.04 -1.21 -3.47 135.00 137.48 2kl3 s PRO 44 Ca 0.19 1.60 0.28 0.00 0.04 0.00 0.00 61.00 63.10 2kl3 s PRO 44 Cb -0.22 -3.22 1.34 0.00 0.04 0.00 0.00 34.50 32.45 2kl3 s PRO 44 CO -0.03 0.39 1.74 0.97 0.04 0.00 0.00 177.00 180.12 2kl3 h ILE 45 N 3.09 0.25 0.01 0.56 2.10 -1.45 0.86 117.51 122.94 2kl3 h ILE 45 Ca -0.46 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.48 2kl3 h ILE 45 Cb 1.20 0.46 0.00 0.00 -1.09 0.00 0.00 36.82 37.40 2kl3 h ILE 45 CO 0.67 0.00 -0.01 -0.33 -1.08 0.00 0.00 178.15 177.41 2kl3 h GLU 46 N 0.00 -0.02 -0.23 2.19 4.39 -1.90 -3.32 114.58 115.70 2kl3 h GLU 46 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 2kl3 h GLU 46 Cb 1.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.25 2kl3 h GLU 46 CO -0.00 0.38 0.00 -0.25 -1.16 0.00 0.00 179.01 177.97 2kl3 n ASP 47 N -4.91 3.13 -0.13 1.42 9.92 0.11 -4.76 116.55 121.33 2kl3 n ASP 47 Ca -0.08 -1.94 -0.12 0.00 -0.53 0.00 0.00 54.79 52.13 2kl3 n ASP 47 Cb 0.21 -0.14 -0.08 0.00 -0.64 0.00 0.00 41.12 40.46 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 4.17 -1.58 -0.03 0.64 5.85 0.43 0.06 115.31 124.84 2kl3 h LEU 48 Ca 0.00 0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.96 2kl3 h LEU 48 Cb 0.92 0.65 -0.04 0.00 0.37 0.00 0.00 40.66 42.56 2kl3 h LEU 48 CO 0.00 -0.33 -0.22 0.58 -0.34 0.00 0.00 178.44 178.13 2kl3 h VAL 49 N -0.32 0.49 -0.90 1.05 2.07 -1.85 0.28 116.25 117.06 2kl3 h VAL 49 Ca 0.06 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.61 2kl3 h VAL 49 Cb 0.49 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 2kl3 h VAL 49 CO -0.52 0.00 0.59 0.44 0.02 0.00 0.00 177.57 178.10 2kl3 h ASP 50 N -0.33 0.99 0.12 0.57 5.19 -1.87 -2.34 116.42 118.75 2kl3 h ASP 50 Ca 0.07 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 2kl3 h ASP 50 Cb 0.42 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.70 2kl3 h ASP 50 CO -0.22 0.69 -0.06 0.03 -3.12 0.00 0.00 179.24 176.56 2kl3 h ARG 51 N 1.15 -0.15 -0.26 3.56 2.47 -0.11 -3.19 114.38 117.85 2kl3 h ARG 51 Ca 0.35 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 59.11 2kl3 h ARG 51 Cb -0.02 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.30 2kl3 h ARG 51 CO -0.10 0.18 0.07 0.00 0.56 0.00 0.00 179.97 180.69 2kl3 h ALA 52 N 0.32 0.28 -0.05 0.04 0.00 -0.31 -1.30 119.26 118.25 2kl3 h ALA 52 Ca -0.02 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2kl3 h ALA 52 Cb 0.40 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2kl3 h ALA 52 CO 0.03 -0.34 0.06 0.66 0.00 0.00 0.00 179.25 179.65 2kl3 h SER 53 N 0.18 0.00 0.47 0.00 4.64 -1.53 0.38 113.55 117.69 2kl3 h SER 53 Ca 0.12 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.23 2kl3 h SER 53 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2kl3 h SER 53 CO -0.14 0.00 -0.87 -1.28 -0.87 0.00 0.00 176.83 173.68 2kl3 h SER 54 N 0.00 0.36 0.00 4.97 0.87 -1.22 -3.41 113.55 115.12 2kl3 h SER 54 Ca 0.02 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.28 2kl3 h SER 54 Cb 0.14 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2kl3 h SER 54 CO -0.00 1.07 -1.09 -1.20 -0.53 0.00 0.00 176.83 175.08 2kl3 n SER 55 N -3.71 2.42 -4.85 6.23 7.64 -0.84 -5.08 113.62 115.42 2kl3 n SER 55 Ca -0.04 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.52 2kl3 n SER 55 Cb 0.80 -0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.91 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 -5.48 3.96 0.92 -3.43 1.43 0.13 -5.09 118.68 111.12 2kl3 s LEU 56 Ca -0.02 1.32 -0.15 0.00 -1.03 0.00 0.00 54.13 54.26 2kl3 s LEU 56 Cb 0.01 -4.16 0.16 0.00 0.03 0.00 0.00 46.19 42.23 2kl3 s LEU 56 CO 0.03 -0.30 1.25 -1.61 0.23 0.00 0.00 176.35 175.96 2kl3 s GLU 57 N -3.28 1.02 -0.07 1.70 8.01 -1.26 -4.62 118.70 120.21 2kl3 s GLU 57 Ca 0.55 -0.17 0.21 0.00 0.01 0.00 0.00 54.97 55.56 2kl3 s GLU 57 Cb -0.10 -1.87 -0.31 0.00 -4.31 0.00 0.00 34.13 27.54 2kl3 s GLU 57 CO 0.21 -2.19 0.38 1.63 0.01 0.00 0.00 175.26 175.29 2kl3 n LYS 58 N -3.67 0.67 0.00 1.61 5.02 -1.26 -4.01 118.16 116.52 2kl3 n LYS 58 Ca 0.12 -0.15 0.13 0.00 -2.02 0.00 0.00 58.31 56.39 2kl3 n LYS 58 Cb 0.60 -1.51 0.40 0.00 -0.02 0.00 0.00 35.03 34.50 2kl3 n LYS 58 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2kl3 n SER 59 N -2.36 0.98 -4.72 4.39 2.88 -1.26 -0.13 113.62 113.39 2kl3 n SER 59 Ca -0.10 -0.87 -0.42 0.00 -1.33 0.00 0.00 58.87 56.15 2kl3 n SER 59 Cb 0.69 0.11 -0.03 0.00 -0.75 0.00 0.00 64.21 64.23 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 -2.49 4.36 -0.66 -1.46 6.06 -1.26 -4.69 118.95 118.82 2kl3 s ARG 60 Ca 0.25 2.01 -0.26 0.00 -2.50 0.00 0.00 55.73 55.23 2kl3 s ARG 60 Cb 0.19 -3.25 -0.06 0.00 0.06 0.00 0.00 34.95 31.90 2kl3 s ARG 60 CO 0.51 -0.34 2.11 -0.51 -2.50 0.00 0.00 175.30 174.56 2kl3 s ASP 61 N 0.86 4.82 -0.34 -2.12 1.01 -1.26 -4.23 116.67 115.41 2kl3 s ASP 61 Ca 0.61 0.30 -0.12 0.00 0.71 0.00 0.00 52.55 54.05 2kl3 s ASP 61 Cb -0.35 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.04 2kl3 s ASP 61 CO 0.32 -2.81 0.22 -0.63 0.21 0.00 0.00 175.17 172.49 2kl3 s ILE 62 N 10.96 5.11 -0.26 0.77 1.01 0.24 -0.86 121.20 138.17 2kl3 s ILE 62 Ca 0.80 -0.31 -0.11 0.00 0.00 0.00 0.00 60.65 61.03 2kl3 s ILE 62 Cb -0.13 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 2kl3 s ILE 62 CO 0.16 -0.02 0.19 -0.31 0.00 0.00 0.00 174.94 174.96 2kl3 s TYR 63 N 1.69 3.27 -0.09 3.97 1.51 0.62 -0.54 117.35 127.78 2kl3 s TYR 63 Ca 0.06 0.20 -0.03 0.00 -1.01 0.00 0.00 57.07 56.29 2kl3 s TYR 63 Cb -0.17 -2.33 -0.03 0.00 -0.11 0.00 0.00 41.96 39.31 2kl3 s TYR 63 CO 0.09 -0.04 0.04 0.08 -1.11 0.00 0.00 175.55 174.61 2kl3 s VAL 64 N 1.39 4.59 -0.03 0.71 1.01 -0.34 -0.59 120.40 127.15 2kl3 s VAL 64 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2kl3 s VAL 64 Cb -0.15 -2.96 0.03 0.00 0.00 0.00 0.00 36.38 33.30 2kl3 s VAL 64 CO 0.08 0.59 0.01 -0.72 0.00 0.00 0.00 175.10 175.05 2kl3 s TYR 65 N -0.94 0.28 0.00 5.22 1.13 -0.86 -0.95 117.35 121.23 2kl3 s TYR 65 Ca 0.14 0.02 0.00 0.00 -1.41 0.00 0.00 57.07 55.83 2kl3 s TYR 65 Cb -0.12 -0.40 0.00 0.00 -1.10 0.00 0.00 41.96 40.34 2kl3 s TYR 65 CO 0.04 -0.13 0.00 0.41 -2.51 0.00 0.00 175.55 173.35 2kl3 n GLY 66 N 4.23 3.76 0.18 5.49 0.00 -1.26 -2.56 105.19 115.04 2kl3 n GLY 66 Ca -0.25 -2.14 0.05 0.00 0.00 0.00 0.00 46.02 43.68 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 0.65 0.97 -2.61 4.61 0.00 -1.92 -3.35 119.26 117.60 2kl3 h ALA 67 Ca 0.00 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 2kl3 h ALA 67 Cb 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 17.60 2kl3 h ALA 67 CO 0.00 0.48 -0.44 0.20 0.00 0.00 0.00 179.25 179.49 2kl3 s GLY 68 N -4.36 0.88 0.31 0.00 0.00 -1.26 -4.83 107.32 98.05 2kl3 s GLY 68 Ca 0.00 -1.25 0.03 0.00 0.00 0.00 0.00 44.72 43.50 2kl3 s GLY 68 CO 0.69 -1.08 1.87 -0.55 0.00 0.00 0.00 173.10 174.04 2kl3 h ASP 69 N 2.59 0.86 0.19 1.64 5.19 -1.89 -1.62 116.42 123.38 2kl3 h ASP 69 Ca -0.33 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.10 2kl3 h ASP 69 Cb 1.23 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.60 2kl3 h ASP 69 CO 0.50 0.49 -0.09 -0.08 -3.12 0.00 0.00 179.24 176.94 2kl3 h GLU 70 N 0.94 -0.25 -0.74 3.56 4.81 -1.96 0.72 114.58 121.66 2kl3 h GLU 70 Ca 0.44 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.76 2kl3 h GLU 70 Cb 0.43 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 2kl3 h GLU 70 CO -0.20 -0.01 0.42 0.37 -0.73 0.00 0.00 179.01 178.85 2kl3 h GLN 71 N -0.46 0.74 0.25 1.92 4.15 -1.92 -0.12 115.11 119.66 2kl3 h GLN 71 Ca -0.03 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 2kl3 h GLN 71 Cb 0.35 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 2kl3 h GLN 71 CO 0.04 0.49 -0.19 1.15 -1.93 0.00 0.00 178.83 178.39 2kl3 h THR 72 N 0.76 0.59 -0.48 2.39 2.02 -1.13 -1.81 112.91 115.24 2kl3 h THR 72 Ca 0.34 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.49 2kl3 h THR 72 Cb 0.22 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2kl3 h THR 72 CO -0.20 0.00 0.22 -1.28 0.37 0.00 0.00 175.52 174.63 2kl3 h SER 73 N -0.45 0.65 -0.48 4.18 0.87 -0.50 -1.99 113.55 115.83 2kl3 h SER 73 Ca -0.01 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.38 2kl3 h SER 73 Cb 0.40 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 2kl3 h SER 73 CO -0.01 0.61 0.24 -0.61 -0.53 0.00 0.00 176.83 176.53 2kl3 h GLN 74 N 0.64 0.69 -0.33 2.24 4.15 -0.99 -0.20 115.11 121.30 2kl3 h GLN 74 Ca 0.16 -0.10 0.03 0.00 0.77 0.00 0.00 58.65 59.52 2kl3 h GLN 74 Cb 0.15 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 2kl3 h GLN 74 CO -0.02 0.57 0.13 0.00 -1.93 0.00 0.00 178.83 177.59 2kl3 h ALA 75 N 1.08 0.39 -0.74 3.38 0.00 -1.19 -1.08 119.26 121.09 2kl3 h ALA 75 Ca 0.17 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.22 2kl3 h ALA 75 Cb 0.11 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 2kl3 h ALA 75 CO -0.02 -0.26 0.35 0.28 0.00 0.00 0.00 179.25 179.60 2kl3 h VAL 76 N 0.28 0.78 -0.34 0.00 2.07 -1.00 -1.28 116.25 116.76 2kl3 h VAL 76 Ca 0.15 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.53 2kl3 h VAL 76 Cb 0.10 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 29.99 2kl3 h VAL 76 CO -0.13 0.10 0.03 -1.13 0.02 0.00 0.00 177.57 176.46 2kl3 h ASN 77 N 0.56 -0.07 -0.62 0.57 -1.24 -0.22 -0.54 115.58 114.02 2kl3 h ASN 77 Ca 0.38 0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.46 2kl3 h ASN 77 Cb 0.47 0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.60 2kl3 h ASN 77 CO -0.32 0.00 0.39 -0.07 -1.29 0.00 0.00 177.43 176.14 2kl3 h LEU 78 N 0.14 0.73 0.11 0.34 3.38 -0.40 0.16 115.31 119.77 2kl3 h LEU 78 Ca 0.16 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2kl3 h LEU 78 Cb 0.20 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2kl3 h LEU 78 CO -0.24 0.55 -0.05 -0.07 0.09 0.00 0.00 178.44 178.72 2kl3 h LEU 79 N 0.85 -0.12 -2.00 1.67 3.38 -0.76 -2.11 115.31 116.22 2kl3 h LEU 79 Ca 0.23 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2kl3 h LEU 79 Cb -0.06 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2kl3 h LEU 79 CO -0.04 0.43 -0.05 0.08 0.09 0.00 0.00 178.44 178.95 2kl3 h ARG 80 N -0.74 0.00 0.00 1.13 0.11 -0.97 0.16 114.38 114.06 2kl3 h ARG 80 Ca -0.01 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.98 2kl3 h ARG 80 Cb 0.55 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.62 2kl3 h ARG 80 CO 0.02 0.05 -0.39 1.03 0.10 0.00 0.00 179.97 180.78 2kl3 h SER 81 N 0.00 0.00 0.20 0.08 0.87 -0.67 -2.52 113.55 111.52 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 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2kl3 h SER 81 CO 0.01 0.39 0.00 0.00 -0.53 0.00 0.00 176.83 176.70 2kl3 n ALA 82 N -2.44 2.48 0.00 6.23 0.00 0.49 -4.87 120.51 122.40 2kl3 n ALA 82 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2kl3 n ALA 82 Cb 0.43 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 0.88 0.58 3.58 0.00 0.00 -0.95 -5.04 105.19 104.24 2kl3 n GLY 83 Ca 0.18 0.00 -0.41 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 -2.00 1.91 0.07 1.61 0.08 -0.84 -4.86 117.98 113.95 2kl3 s PHE 84 Ca 0.00 0.66 -0.28 0.00 0.12 0.00 0.00 56.93 57.44 2kl3 s PHE 84 Cb 0.00 -4.18 -0.17 0.00 -0.57 0.00 0.00 43.02 38.10 2kl3 s PHE 84 CO 0.00 -2.46 1.62 0.93 -0.10 0.00 0.00 175.22 175.21 2kl3 h GLU 85 N 12.99 -0.43 -4.02 0.44 5.08 -0.86 -3.34 114.58 124.44 2kl3 h GLU 85 Ca -0.29 0.03 -0.77 0.00 -1.00 0.00 0.00 59.36 57.32 2kl3 h GLU 85 Cb 1.15 0.10 -0.25 0.00 0.50 0.00 0.00 28.75 30.25 2kl3 h GLU 85 CO 1.12 -0.25 0.28 -1.01 -1.00 0.00 0.00 179.01 178.15 2kl3 s HIS 86 N -5.91 3.71 -0.08 4.33 3.76 -1.03 -4.99 115.29 115.08 2kl3 s HIS 86 Ca -0.15 -1.97 -0.01 0.00 -0.15 0.00 0.00 55.06 52.78 2kl3 s HIS 86 Cb 0.04 -3.91 0.03 0.00 1.11 0.00 0.00 32.58 29.85 2kl3 s HIS 86 CO 0.63 -1.08 -0.01 0.08 -0.85 0.00 0.00 174.74 173.51 2kl3 s VAL 87 N 0.46 0.49 -0.03 -0.90 1.01 -1.26 -0.59 120.40 119.58 2kl3 s VAL 87 Ca 0.22 0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.32 2kl3 s VAL 87 Cb -0.09 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 2kl3 s VAL 87 CO -0.09 0.28 -0.22 -0.55 0.00 0.00 0.00 175.10 174.52 2kl3 s SER 88 N 1.92 3.41 -0.21 3.32 0.15 0.29 -4.78 113.70 117.82 2kl3 s SER 88 Ca 0.05 -0.37 -0.18 0.00 0.70 0.00 0.00 55.95 56.14 2kl3 s SER 88 Cb -0.12 -0.52 -0.03 0.00 -1.71 0.00 0.00 66.02 63.63 2kl3 s SER 88 CO -0.06 0.33 0.52 -1.83 1.20 0.00 0.00 173.24 173.40 2kl3 s GLU 89 N -0.68 4.17 -0.16 5.44 -1.05 0.41 -1.20 118.70 125.63 2kl3 s GLU 89 Ca 0.11 0.40 -0.29 0.00 -0.15 0.00 0.00 54.97 55.04 2kl3 s GLU 89 Cb -0.10 -3.57 -0.02 0.00 -0.44 0.00 0.00 34.13 30.00 2kl3 s GLU 89 CO -0.00 -0.18 1.28 -1.17 0.95 0.00 0.00 175.26 176.14 2kl3 s LEU 90 N 1.74 4.18 0.21 1.83 2.96 -0.12 -1.84 118.68 127.63 2kl3 s LEU 90 Ca 0.24 1.71 -0.30 0.00 -0.22 0.00 0.00 54.13 55.56 2kl3 s LEU 90 Cb -0.15 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.91 2kl3 s LEU 90 CO 0.09 -0.77 1.27 -0.54 -1.32 0.00 0.00 176.35 175.08 2kl3 s LYS 91 N 3.53 4.42 0.00 1.98 -0.14 -0.24 -4.09 119.74 125.20 2kl3 s LYS 91 Ca 0.55 2.01 0.00 0.00 -1.36 0.00 0.00 55.97 57.17 2kl3 s LYS 91 Cb -0.22 -3.20 0.00 0.00 -1.68 0.00 0.00 37.83 32.73 2kl3 s LYS 91 CO 0.15 -0.18 0.00 0.41 -0.76 0.00 0.00 175.35 174.97 2kl3 n GLY 92 N 2.13 2.11 0.00 -3.33 0.00 -1.26 -4.26 105.19 100.58 2kl3 n GLY 92 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.61 0.06 -0.02 0.00 -1.26 -4.19 105.19 100.40 2kl3 n GLY 93 Ca 0.00 -1.96 -0.12 0.00 0.00 0.00 0.00 46.02 43.94 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 0.06 -1.22 0.99 5.85 -1.89 -1.86 115.31 117.25 2kl3 h LEU 94 Ca 0.00 -0.24 0.18 0.00 0.84 0.00 0.00 57.88 58.66 2kl3 h LEU 94 Cb 0.00 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 40.93 2kl3 h LEU 94 CO 0.00 0.29 0.61 0.00 -0.34 0.00 0.00 178.44 178.99 2kl3 h ALA 95 N 0.78 1.86 -0.12 1.25 0.00 -1.93 0.19 119.26 121.29 2kl3 h ALA 95 Ca 0.01 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2kl3 h ALA 95 Cb 0.25 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2kl3 h ALA 95 CO 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 179.25 179.10 2kl3 h ALA 96 N 1.61 0.16 -0.97 0.00 0.00 -1.81 0.27 119.26 118.53 2kl3 h ALA 96 Ca 0.51 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.34 2kl3 h ALA 96 Cb 0.91 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 2kl3 h ALA 96 CO -0.27 -0.17 0.62 2.35 0.00 0.00 0.00 179.25 181.77 2kl3 h TRP 97 N -0.04 1.13 0.10 0.00 2.91 -0.33 -2.41 115.95 117.32 2kl3 h TRP 97 Ca 0.04 0.03 -0.28 0.00 1.13 0.00 0.00 58.89 59.81 2kl3 h TRP 97 Cb 0.31 -0.36 0.02 0.00 -0.51 0.00 0.00 29.16 28.62 2kl3 h TRP 97 CO 0.02 0.53 -1.19 0.87 -1.03 0.00 0.00 178.44 177.64 2kl3 h LYS 98 N 1.06 0.51 -0.35 2.65 1.57 -0.57 0.26 116.57 121.70 2kl3 h LYS 98 Ca 0.45 -0.68 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 2kl3 h LYS 98 Cb 0.29 0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2kl3 h LYS 98 CO -0.21 1.29 0.16 0.00 -0.57 0.00 0.00 179.45 180.12 2kl3 h ALA 99 N 0.44 1.64 -0.12 3.86 0.00 -0.16 0.23 119.26 125.16 2kl3 h ALA 99 Ca -0.16 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2kl3 h ALA 99 Cb 1.86 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2kl3 h ALA 99 CO 0.22 0.30 0.00 0.44 0.00 0.00 0.00 179.25 180.20 2kl3 n ILE 100 N -4.42 0.16 -2.23 0.00 -5.35 -0.93 -4.89 119.36 101.69 2kl3 n ILE 100 Ca 0.02 -0.19 -0.04 0.00 -0.27 0.00 0.00 62.75 62.27 2kl3 n ILE 100 Cb 0.12 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.08 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 0.84 0.32 3.81 3.28 0.00 0.07 -5.04 105.19 108.46 2kl3 n GLY 101 Ca 0.10 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.88 2.23 -0.04 -0.02 0.00 0.91 -5.00 107.32 102.51 2kl3 s GLY 102 Ca 0.03 0.42 -0.30 0.00 0.00 0.00 0.00 44.72 44.86 2kl3 s GLY 102 CO 0.03 0.73 1.23 2.56 0.00 0.00 0.00 173.10 177.65 2kl3 s PRO 103 N -3.82 4.35 0.18 2.90 0.04 -1.26 -4.66 135.00 132.72 2kl3 s PRO 103 Ca 0.64 1.72 0.03 0.00 0.04 0.00 0.00 61.00 63.42 2kl3 s PRO 103 Cb -0.15 -3.55 -0.05 0.00 0.04 0.00 0.00 34.50 30.79 2kl3 s PRO 103 CO 0.31 -0.46 -0.02 0.95 0.04 0.00 0.00 177.00 177.82 2kl3 s THR 104 N 2.19 0.87 0.32 1.26 -4.23 -1.26 -1.75 115.64 113.03 2kl3 s THR 104 Ca 0.57 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.11 2kl3 s THR 104 Cb -0.26 -2.09 -0.04 0.00 1.34 0.00 0.00 72.50 71.45 2kl3 s THR 104 CO 0.23 -0.52 0.15 -1.61 -0.54 0.00 0.00 174.62 172.33 2kl3 s GLU 105 N -3.86 1.64 0.00 3.99 2.02 0.11 -4.68 118.70 117.92 2kl3 s GLU 105 Ca 0.23 -1.94 0.00 0.00 0.02 0.00 0.00 54.97 53.28 2kl3 s GLU 105 Cb 0.05 -0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.08 2kl3 s GLU 105 CO 0.04 -0.44 0.00 0.41 0.02 0.00 0.00 175.26 175.29 2kl3 n GLY 106 N -0.63 4.87 0.17 -1.39 0.00 -1.26 0.24 105.19 107.20 2kl3 n GLY 106 Ca 0.00 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.97 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 1.29 0.63 0.10 -0.61 2.04 -0.10 -0.23 117.51 120.63 2kl3 h ILE 107 Ca 0.00 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.57 2kl3 h ILE 107 Cb 0.00 0.63 0.03 0.00 -0.74 0.00 0.00 36.82 36.74 2kl3 h ILE 107 CO 0.00 0.00 -1.21 0.40 0.00 0.00 0.00 178.15 177.34 2kl3 h ILE 108 N -0.10 1.30 -0.78 -0.67 5.03 -1.47 -3.28 117.51 117.54 2kl3 h ILE 108 Ca 0.12 -2.48 0.16 0.00 -0.12 0.00 0.00 64.86 62.53 2kl3 h ILE 108 Cb 0.28 2.67 -0.05 0.00 -3.03 0.00 0.00 36.82 36.68 2kl3 h ILE 108 CO -0.28 0.75 0.52 -0.08 -0.68 0.00 0.00 178.15 178.39 2kl3 h GLU 109 N 0.27 0.42 -0.47 2.37 4.22 -0.39 0.26 114.58 121.26 2kl3 h GLU 109 Ca -0.17 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.23 2kl3 h GLU 109 Cb 1.88 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 31.01 2kl3 h GLU 109 CO 0.23 0.28 0.23 0.77 -2.18 0.00 0.00 179.01 178.34 2kl3 h SER 110 N 0.43 0.58 -3.22 1.04 0.02 -1.10 -3.43 113.55 107.87 2kl3 h SER 110 Ca 0.39 -0.05 -0.65 0.00 -0.84 0.00 0.00 61.79 60.64 2kl3 h SER 110 Cb 0.88 -0.15 -0.15 0.00 0.14 0.00 0.00 62.40 63.12 2kl3 h SER 110 CO -0.13 0.50 -0.59 0.00 -1.14 0.00 0.00 176.83 175.46 2kl3 s ARG 111 N -5.40 3.42 0.00 3.45 1.70 0.08 -5.11 118.95 117.09 2kl3 s ARG 111 Ca -0.09 -0.37 0.04 0.00 -0.47 0.00 0.00 55.73 54.84 2kl3 s ARG 111 Cb 0.17 -2.98 -0.01 0.00 -0.57 0.00 0.00 34.95 31.55 2kl3 s ARG 111 CO 0.76 0.53 -0.12 -0.08 -1.08 0.00 0.00 175.30 175.30 2kl3 s THR 112 N -0.38 0.97 0.21 4.99 -1.32 -1.26 -4.93 115.64 113.93 2kl3 s THR 112 Ca 0.08 -0.61 -0.30 0.00 -1.21 0.00 0.00 61.69 59.65 2kl3 s THR 112 Cb -0.12 -0.83 -0.08 0.00 -1.51 0.00 0.00 72.50 69.96 2kl3 s THR 112 CO 0.02 0.21 1.16 -2.84 -2.21 0.00 0.00 174.62 170.97 2kl3 s PRO 113 N -0.46 4.53 0.12 7.08 0.02 -1.26 -5.04 135.00 139.99 2kl3 s PRO 113 Ca 0.04 1.85 -0.25 0.00 0.02 0.00 0.00 61.00 62.66 2kl3 s PRO 113 Cb -0.05 -3.23 0.08 0.00 0.02 0.00 0.00 34.50 31.31 2kl3 s PRO 113 CO -0.00 -0.00 0.71 0.00 -0.33 0.00 0.00 177.00 177.37 2kl3 s ALA 114 N -0.35 -1.65 0.00 -1.55 0.00 -1.26 -5.01 121.76 111.95 2kl3 s ALA 114 Ca 0.50 0.59 0.00 0.00 0.00 0.00 0.00 51.96 53.06 2kl3 s ALA 114 Cb -0.32 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.53 2kl3 s ALA 114 CO 0.38 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2kl3 n GLY 115 N -0.35 1.09 2.99 0.00 0.00 -1.26 -5.10 105.19 102.57 2kl3 n GLY 115 Ca -0.13 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.28 1.53 0.15 4.61 0.00 -1.26 -5.13 121.76 119.38 2kl3 s ALA 116 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 51.96 51.20 2kl3 s ALA 116 Cb 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.26 2kl3 s ALA 116 CO 0.00 -0.23 0.32 0.34 0.00 0.00 0.00 175.76 176.19 2kl3 s ASP 117 N 1.29 -0.01 0.14 0.00 2.15 -1.26 -5.19 116.67 113.80 2kl3 s ASP 117 Ca -0.01 -0.73 -0.24 0.00 0.43 0.00 0.00 52.55 51.99 2kl3 s ASP 117 Cb -0.14 0.45 0.07 0.00 -0.30 0.00 0.00 42.92 43.00 2kl3 s ASP 117 CO -0.05 -0.89 0.66 1.51 -0.17 0.00 0.00 175.17 176.23 2kl3 s ASP 118 N -2.92 -0.50 -0.18 -0.34 -4.77 -1.26 -5.18 116.67 101.51 2kl3 s ASP 118 Ca 0.13 -0.06 -0.14 0.00 -3.30 0.00 0.00 52.55 49.18 2kl3 s ASP 118 Cb 0.03 0.58 0.05 0.00 -1.09 0.00 0.00 42.92 42.49 2kl3 s ASP 118 CO -0.03 -0.95 0.46 -0.47 0.70 0.00 0.00 175.17 174.88 2kl3 s TYR 119 N -3.66 -0.59 -0.77 2.11 5.04 -1.26 -5.10 117.35 113.12 2kl3 s TYR 119 Ca 0.03 1.33 -0.25 0.00 -2.44 0.00 0.00 57.07 55.73 2kl3 s TYR 119 Cb -0.01 0.24 -0.04 0.00 0.35 0.00 0.00 41.96 42.50 2kl3 s TYR 119 CO -0.10 -0.30 1.93 -0.80 -1.34 0.00 0.00 175.55 174.93 2kl3 s ASN 120 N 0.77 5.15 -1.43 4.32 -0.87 -1.26 -4.88 114.94 116.75 2kl3 s ASN 120 Ca -0.04 -0.22 -0.13 0.00 -1.57 0.00 0.00 52.86 50.90 2kl3 s ASN 120 Cb -0.05 -2.55 -0.01 0.00 -0.02 0.00 0.00 41.25 38.62 2kl3 s ASN 120 CO -0.06 -2.62 2.39 1.33 -2.57 0.00 0.00 177.10 175.57 2kl3 n VAL 121 N 7.63 3.50 -3.92 1.60 0.24 -1.26 -4.85 118.33 121.28 2kl3 n VAL 121 Ca 0.32 -2.73 -0.30 0.00 -2.04 0.00 0.00 64.34 59.59 2kl3 n VAL 121 Cb 0.49 -2.57 -0.16 0.00 -1.47 0.00 0.00 33.84 30.13 2kl3 n VAL 121 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2kl3 s VAL 122 N 3.09 1.43 -0.29 3.34 0.11 -1.26 -5.07 120.40 121.75 2kl3 s VAL 122 Ca 0.53 -1.19 0.02 0.00 -2.93 0.00 0.00 61.98 58.42 2kl3 s VAL 122 Cb 0.15 -1.74 0.19 0.00 -1.53 0.00 0.00 36.38 33.45 2kl3 s VAL 122 CO -0.06 -0.14 0.59 -0.55 -3.33 0.00 0.00 175.10 171.61 2kl3 s SER 123 N 1.43 -1.45 -0.30 3.54 0.15 -1.26 -5.14 113.70 110.68 2kl3 s SER 123 Ca -0.05 0.52 -0.07 0.00 0.70 0.00 0.00 55.95 57.06 2kl3 s SER 123 Cb -0.19 2.07 0.15 0.00 -1.71 0.00 0.00 66.02 66.35 2kl3 s SER 123 CO -0.07 -0.28 0.62 -0.60 1.20 0.00 0.00 173.24 174.11 2kl3 s ARG 124 N 2.83 0.57 -0.04 5.44 6.06 -1.26 -5.16 118.95 127.39 2kl3 s ARG 124 Ca 0.15 1.27 -0.03 0.00 -2.50 0.00 0.00 55.73 54.63 2kl3 s ARG 124 Cb -0.13 0.73 0.01 0.00 0.06 0.00 0.00 34.95 35.62 2kl3 s ARG 124 CO -0.23 -0.36 0.09 -0.48 -2.50 0.00 0.00 175.30 171.81 2kl3 s LEU 125 N 2.87 1.57 -0.30 -0.88 -0.00 -1.26 -5.15 118.68 115.54 2kl3 s LEU 125 Ca 0.04 0.18 -0.16 0.00 -0.00 0.00 0.00 54.13 54.19 2kl3 s LEU 125 Cb -0.13 0.30 0.18 0.00 -0.00 0.00 0.00 46.19 46.53 2kl3 s LEU 125 CO -0.20 -0.04 1.09 -1.83 -0.00 0.00 0.00 176.35 175.37 2kl3 s GLU 126 N 0.17 0.20 -0.30 1.48 -1.05 -1.26 -5.12 118.70 112.82 2kl3 s GLU 126 Ca -0.01 0.51 0.02 0.00 -0.15 0.00 0.00 54.97 55.34 2kl3 s GLU 126 Cb -0.02 0.31 0.20 0.00 -0.44 0.00 0.00 34.13 34.17 2kl3 s GLU 126 CO -0.00 -0.07 0.70 -3.38 0.95 0.00 0.00 175.26 173.45 2kl3 s HIS 127 N 2.32 -1.54 -0.15 4.83 -3.43 -1.26 -5.05 115.29 111.03 2kl3 s HIS 127 Ca -0.01 0.83 0.20 0.00 -0.80 0.00 0.00 55.06 55.28 2kl3 s HIS 127 Cb -0.04 0.26 0.46 0.00 -1.43 0.00 0.00 32.58 31.83 2kl3 s HIS 127 CO -0.17 -0.91 1.16 0.72 -2.00 0.00 0.00 174.74 173.54 2kl3 n HIS 128 N 5.24 0.71 -3.65 0.38 8.25 -1.26 -4.97 115.22 119.91 2kl3 n HIS 128 Ca 0.06 -1.36 -0.38 0.00 -0.26 0.00 0.00 57.72 55.79 2kl3 n HIS 128 Cb 0.55 -0.21 -0.08 0.00 1.12 0.00 0.00 29.99 31.37 2kl3 n HIS 128 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kl3 s HIS 129 N -2.10 3.55 -0.33 4.41 3.76 -1.26 -4.96 115.29 118.35 2kl3 s HIS 129 Ca 0.35 -2.70 0.01 0.00 -0.15 0.00 0.00 55.06 52.56 2kl3 s HIS 129 Cb 0.37 -3.28 0.19 0.00 1.11 0.00 0.00 32.58 30.96 2kl3 s HIS 129 CO -0.09 -0.83 0.76 -1.58 -0.85 0.00 0.00 174.74 172.15 2kl3 s HIS 130 N -0.34 -1.32 -0.29 1.40 5.04 -1.26 -5.12 115.29 113.39 2kl3 s HIS 130 Ca 0.20 0.51 0.05 0.00 -1.54 0.00 0.00 55.06 54.28 2kl3 s HIS 130 Cb -0.16 0.23 0.19 0.00 0.04 0.00 0.00 32.58 32.89 2kl3 s HIS 130 CO -0.06 -0.83 0.57 -1.58 -2.34 0.00 0.00 174.74 170.50 2kl3 s HIS 131 N 2.41 -1.74 0.00 3.88 5.04 -1.26 -5.30 115.29 118.32 2kl3 s HIS 131 Ca 0.16 1.02 0.00 0.00 -1.54 0.00 0.00 55.06 54.70 2kl3 s HIS 131 Cb -0.04 0.27 0.00 0.00 0.04 0.00 0.00 32.58 32.84 2kl3 s HIS 131 CO -0.18 -1.06 0.19 1.58 -2.34 0.00 0.00 174.74 172.93