#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 2.45 0.58 2.12 2.02 -1.26 -4.93 118.70 119.68 2kl3 s GLU 2 Ca 0.00 1.53 0.37 0.00 0.02 0.00 0.00 54.97 56.88 2kl3 s GLU 2 Cb 0.00 -1.89 1.72 0.00 0.10 0.00 0.00 34.13 34.05 2kl3 s GLU 2 CO 0.00 -1.55 2.12 -1.35 0.02 0.00 0.00 175.26 174.50 2kl3 h PRO 3 N -0.22 0.00 -4.36 0.39 0.11 -1.96 -3.43 132.00 122.53 2kl3 h PRO 3 Ca -0.47 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.12 2kl3 h PRO 3 Cb 1.27 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 32.02 2kl3 h PRO 3 CO 0.52 0.02 -0.81 -0.65 -0.21 0.00 0.00 178.00 176.87 2kl3 s GLN 4 N -3.88 1.58 -0.15 1.05 -0.21 -1.26 -0.54 119.66 116.25 2kl3 s GLN 4 Ca -0.01 -0.32 -0.04 0.00 0.02 0.00 0.00 55.36 55.01 2kl3 s GLN 4 Cb 0.11 -1.48 -0.03 0.00 1.00 0.00 0.00 33.01 32.61 2kl3 s GLN 4 CO 0.51 -0.13 -0.04 -1.54 -2.12 0.00 0.00 175.29 171.96 2kl3 s SER 5 N 1.21 4.76 0.31 5.90 1.04 0.46 -4.90 113.70 122.48 2kl3 s SER 5 Ca -0.04 -0.14 -0.29 0.00 0.48 0.00 0.00 55.95 55.95 2kl3 s SER 5 Cb -0.14 -1.77 -0.11 0.00 0.10 0.00 0.00 66.02 64.10 2kl3 s SER 5 CO -0.03 0.17 1.51 -0.62 0.98 0.00 0.00 173.24 175.25 2kl3 s ASP 6 N 0.36 6.46 0.20 7.02 2.15 -1.26 -0.90 116.67 130.70 2kl3 s ASP 6 Ca -0.04 2.89 -0.11 0.00 0.43 0.00 0.00 52.55 55.71 2kl3 s ASP 6 Cb -0.14 -2.64 0.15 0.00 -0.30 0.00 0.00 42.92 39.99 2kl3 s ASP 6 CO 0.03 -0.82 1.85 0.00 -0.17 0.00 0.00 175.17 176.06 2kl3 h ALA 7 N 4.34 0.86 -0.45 3.66 0.00 -1.92 -1.63 119.26 124.12 2kl3 h ALA 7 Ca -0.48 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 2kl3 h ALA 7 Cb 1.22 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2kl3 h ALA 7 CO 0.74 0.22 0.27 1.25 0.00 0.00 0.00 179.25 181.73 2kl3 h HIS 8 N 0.85 0.59 -0.82 0.00 -0.00 -1.89 -0.92 115.15 112.96 2kl3 h HIS 8 Ca 0.26 -0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.65 2kl3 h HIS 8 Cb -0.03 -0.19 -0.04 0.00 -0.00 0.00 0.00 27.41 27.14 2kl3 h HIS 8 CO -0.04 0.42 0.53 0.28 -0.00 0.00 0.00 177.93 179.12 2kl3 h VAL 9 N 0.60 1.17 -0.30 5.26 2.07 -1.87 -1.20 116.25 121.98 2kl3 h VAL 9 Ca 0.16 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.34 2kl3 h VAL 9 Cb -0.00 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.75 2kl3 h VAL 9 CO -0.03 0.20 0.13 0.25 0.02 0.00 0.00 177.57 178.13 2kl3 h LEU 10 N 1.07 0.16 -0.33 2.57 5.85 -0.91 -1.37 115.31 122.35 2kl3 h LEU 10 Ca 0.31 0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.11 2kl3 h LEU 10 Cb -0.07 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 2kl3 h LEU 10 CO -0.09 0.13 0.06 0.50 -0.34 0.00 0.00 178.44 178.70 2kl3 h LYS 11 N 0.27 0.16 0.00 1.25 3.64 -0.67 -0.32 116.57 120.90 2kl3 h LYS 11 Ca 0.13 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 2kl3 h LYS 11 Cb 0.08 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2kl3 h LYS 11 CO -0.12 0.11 -0.13 0.77 -2.27 0.00 0.00 179.45 177.82 2kl3 h SER 12 N 0.17 0.00 1.01 4.20 0.02 -0.99 -0.25 113.55 117.71 2kl3 h SER 12 Ca 0.16 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.98 2kl3 h SER 12 Cb 0.18 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 2kl3 h SER 12 CO -0.21 0.13 -0.59 0.03 -1.14 0.00 0.00 176.83 175.04 2kl3 h ARG 13 N 0.00 0.00 -0.16 3.45 3.08 -0.25 0.77 114.38 121.27 2kl3 h ARG 13 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 2kl3 h ARG 13 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2kl3 h ARG 13 CO 0.02 0.59 -0.31 1.25 -1.07 0.00 0.00 179.97 180.45 2kl3 h LEU 14 N 0.00 0.55 0.00 3.04 6.46 0.25 -2.58 115.31 123.03 2kl3 h LEU 14 Ca -0.01 -0.55 -0.12 0.00 -0.12 0.00 0.00 57.88 57.09 2kl3 h LEU 14 Cb 1.25 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 41.01 2kl3 h LEU 14 CO 0.08 1.00 -0.72 -0.33 -0.62 0.00 0.00 178.44 177.85 2kl3 h GLU 15 N 0.12 0.00 0.00 1.25 5.08 -1.10 -3.42 114.58 116.52 2kl3 h GLU 15 Ca 0.01 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 2kl3 h GLU 15 Cb 0.90 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.09 2kl3 h GLU 15 CO 0.07 0.74 -2.14 0.91 -1.00 0.00 0.00 179.01 177.59 2kl3 n TRP 16 N -4.54 0.36 -1.99 4.33 7.02 0.24 -5.01 117.44 117.85 2kl3 n TRP 16 Ca -0.20 0.13 -0.20 0.00 -1.02 0.00 0.00 57.50 56.22 2kl3 n TRP 16 Cb 0.50 -1.07 0.13 0.00 -2.42 0.00 0.00 31.31 28.45 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 1.68 -0.61 3.79 6.99 0.00 0.45 -4.94 105.19 112.55 2kl3 n GLY 17 Ca -0.27 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 43.55 2kl3 n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kl3 s GLU 18 N -4.83 4.17 -1.26 1.61 8.01 -1.24 -4.71 118.70 120.45 2kl3 s GLU 18 Ca 0.52 0.60 -0.08 0.00 0.01 0.00 0.00 54.97 56.03 2kl3 s GLU 18 Cb -0.02 -3.29 -0.08 0.00 -4.31 0.00 0.00 34.13 26.44 2kl3 s GLU 18 CO 0.36 0.52 2.58 -2.30 0.01 0.00 0.00 175.26 176.43 2kl3 n PRO 19 N 2.26 2.91 -0.00 0.39 -0.02 -1.26 -4.23 135.00 135.04 2kl3 n PRO 19 Ca -0.10 -1.82 0.10 0.00 -2.02 0.00 0.00 63.50 59.66 2kl3 n PRO 19 Cb 0.51 -2.61 -0.14 0.00 -0.02 0.00 0.00 33.50 31.24 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 3.83 3.76 -2.64 3.55 0.00 -1.26 -5.00 120.51 122.76 2kl3 n ALA 20 Ca 0.62 -0.54 -0.25 0.00 0.00 0.00 0.00 53.44 53.27 2kl3 n ALA 20 Cb 0.20 -0.74 -0.02 0.00 0.00 0.00 0.00 19.45 18.90 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 -3.21 3.50 -0.03 0.00 -0.71 -1.26 -4.44 117.98 111.83 2kl3 s PHE 21 Ca 0.00 0.40 0.01 0.00 -1.04 0.00 0.00 56.93 56.31 2kl3 s PHE 21 Cb 0.15 -1.93 0.02 0.00 -1.21 0.00 0.00 43.02 40.04 2kl3 s PHE 21 CO 0.86 0.14 -0.03 0.99 -1.34 0.00 0.00 175.22 175.84 2kl3 s THR 22 N -2.26 0.41 -0.10 -4.49 2.01 -0.93 -5.02 115.64 105.26 2kl3 s THR 22 Ca 0.41 -0.07 -0.13 0.00 0.31 0.00 0.00 61.69 62.21 2kl3 s THR 22 Cb -0.10 -0.44 -0.05 0.00 0.01 0.00 0.00 72.50 71.92 2kl3 s THR 22 CO 0.35 0.19 0.31 -0.63 -0.69 0.00 0.00 174.62 174.14 2kl3 s ILE 23 N 0.81 5.25 -0.13 1.82 1.09 -1.26 -0.56 121.20 128.22 2kl3 s ILE 23 Ca -0.10 0.59 -0.00 0.00 -1.10 0.00 0.00 60.65 60.04 2kl3 s ILE 23 Cb -0.13 -3.62 -0.01 0.00 -1.06 0.00 0.00 42.46 37.64 2kl3 s ILE 23 CO -0.00 0.50 -0.13 -0.76 -0.10 0.00 0.00 174.94 174.44 2kl3 s LEU 24 N -0.35 2.70 -0.74 2.97 1.43 0.33 -1.14 118.68 123.88 2kl3 s LEU 24 Ca 0.19 -0.34 -0.19 0.00 -1.03 0.00 0.00 54.13 52.76 2kl3 s LEU 24 Cb -0.14 -1.61 0.11 0.00 0.03 0.00 0.00 46.19 44.58 2kl3 s LEU 24 CO 0.07 0.16 0.92 -0.62 0.23 0.00 0.00 176.35 177.11 2kl3 s ASP 25 N 0.39 6.37 0.00 2.29 -1.08 -0.74 -1.88 116.67 122.03 2kl3 s ASP 25 Ca -0.11 -1.62 0.20 0.00 -0.52 0.00 0.00 52.55 50.50 2kl3 s ASP 25 Cb -0.16 -2.36 0.53 0.00 -1.46 0.00 0.00 42.92 39.48 2kl3 s ASP 25 CO 0.05 -1.14 1.44 1.33 0.52 0.00 0.00 175.17 177.37 2kl3 n VAL 26 N 5.50 0.52 0.35 1.11 0.24 -1.08 -3.29 118.33 121.69 2kl3 n VAL 26 Ca 0.05 -0.63 -0.15 0.00 -2.04 0.00 0.00 64.34 61.57 2kl3 n VAL 26 Cb 0.46 0.54 -0.07 0.00 -1.47 0.00 0.00 33.84 33.30 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 3.28 -0.89 0.00 7.34 3.08 -1.83 -2.37 114.38 122.99 2kl3 h ARG 27 Ca 0.00 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2kl3 h ARG 27 Cb 0.73 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.99 2kl3 h ARG 27 CO 0.00 -0.58 0.00 -3.47 -1.07 0.00 0.00 179.97 174.85 2kl3 n ASP 28 N -5.40 0.00 -0.20 7.04 2.03 -1.26 -4.63 116.55 114.13 2kl3 n ASP 28 Ca -0.12 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.10 2kl3 n ASP 28 Cb 0.38 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.79 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 0.90 0.02 -0.67 9.65 -1.95 0.24 114.38 122.57 2kl3 h ARG 29 Ca 0.00 -0.22 -0.21 0.00 -1.10 0.00 0.00 59.98 58.45 2kl3 h ARG 29 Cb 0.00 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.46 2kl3 h ARG 29 CO 0.00 0.85 -0.94 1.03 2.80 0.00 0.00 179.97 183.71 2kl3 h SER 30 N 0.80 0.31 0.17 -3.80 0.87 -1.99 -2.29 113.55 107.62 2kl3 h SER 30 Ca 0.17 -0.26 -0.13 0.00 -1.23 0.00 0.00 61.79 60.34 2kl3 h SER 30 Cb 0.36 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2kl3 h SER 30 CO 0.00 1.09 -0.48 0.74 -0.53 0.00 0.00 176.83 177.65 2kl3 h THR 31 N 0.12 1.33 -0.91 2.23 2.02 -1.91 0.12 112.91 115.91 2kl3 h THR 31 Ca -0.06 -1.70 0.05 0.00 0.77 0.00 0.00 66.41 65.48 2kl3 h THR 31 Cb 1.58 1.75 -0.06 0.00 -1.74 0.00 0.00 68.15 69.69 2kl3 h THR 31 CO 0.15 0.52 0.59 0.22 0.37 0.00 0.00 175.52 177.36 2kl3 h TYR 32 N 0.29 1.07 -0.14 3.16 3.20 -0.41 -2.51 116.97 121.63 2kl3 h TYR 32 Ca 0.02 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 2kl3 h TYR 32 Cb 0.96 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 2kl3 h TYR 32 CO 0.03 0.58 -0.13 -0.91 -1.64 0.00 0.00 178.16 176.08 2kl3 h ASN 33 N 1.07 0.35 -0.22 -2.11 2.35 -0.73 -3.33 115.58 112.95 2kl3 h ASN 33 Ca 0.38 -0.48 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 2kl3 h ASN 33 Cb 0.13 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 2kl3 h ASN 33 CO -0.13 0.76 -0.03 -2.24 -1.65 0.00 0.00 177.43 174.14 2kl3 h ASP 34 N -0.05 0.40 -0.93 5.81 3.04 -0.57 0.35 116.42 124.46 2kl3 h ASP 34 Ca 0.02 -0.34 0.04 0.00 -3.24 0.00 0.00 57.03 53.51 2kl3 h ASP 34 Cb 0.66 -0.11 -0.21 0.00 -1.04 0.00 0.00 39.33 38.63 2kl3 h ASP 34 CO 0.03 0.64 -0.36 -0.83 -2.04 0.00 0.00 179.24 176.69 2kl3 s GLY 35 N -3.17 -1.25 0.31 7.15 0.00 -0.97 -0.60 107.32 108.79 2kl3 s GLY 35 Ca -0.14 1.06 0.09 0.00 0.00 0.00 0.00 44.72 45.73 2kl3 s GLY 35 CO 0.74 3.73 -0.10 -2.38 0.00 0.00 0.00 173.10 175.09 2kl3 s HIS 36 N 2.73 2.20 0.37 1.90 -3.43 0.68 -4.84 115.29 114.89 2kl3 s HIS 36 Ca 0.12 -0.55 -0.28 0.00 -0.80 0.00 0.00 55.06 53.55 2kl3 s HIS 36 Cb -0.09 -1.21 -0.11 0.00 -1.43 0.00 0.00 32.58 29.75 2kl3 s HIS 36 CO -0.24 0.49 1.42 0.42 -2.00 0.00 0.00 174.74 174.83 2kl3 s ILE 37 N -2.75 2.29 -0.29 -5.38 1.01 -1.26 0.06 121.20 114.87 2kl3 s ILE 37 Ca 0.31 0.29 -0.33 0.00 0.00 0.00 0.00 60.65 60.92 2kl3 s ILE 37 Cb 0.02 -3.18 -0.10 0.00 0.01 0.00 0.00 42.46 39.21 2kl3 s ILE 37 CO 0.14 0.07 2.18 0.80 0.00 0.00 0.00 174.94 178.13 2kl3 n MET 38 N 0.54 1.39 -0.58 2.79 0.00 -0.97 -1.34 117.12 118.94 2kl3 n MET 38 Ca 0.01 0.39 0.00 0.00 -0.00 0.00 0.00 57.70 58.10 2kl3 n MET 38 Cb 0.40 -2.69 0.00 0.00 0.00 0.00 0.00 33.22 30.93 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 6.18 0.72 3.74 -5.12 0.00 -1.26 -5.02 105.19 104.43 2kl3 n GLY 39 Ca 0.37 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.08 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 2.06 0.16 4.61 0.00 -0.45 -4.89 121.76 121.09 2kl3 s ALA 40 Ca 0.00 0.36 -0.14 0.00 0.00 0.00 0.00 51.96 52.18 2kl3 s ALA 40 Cb 0.00 -3.32 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 2kl3 s ALA 40 CO 0.00 -2.01 0.56 -1.64 0.00 0.00 0.00 175.76 172.67 2kl3 s MET 41 N -4.81 3.97 -1.36 0.00 -1.94 -0.29 -4.94 119.30 109.93 2kl3 s MET 41 Ca 0.63 0.49 -0.14 0.00 -1.71 0.00 0.00 55.69 54.96 2kl3 s MET 41 Cb -0.19 -2.88 0.09 0.00 2.01 0.00 0.00 34.83 33.86 2kl3 s MET 41 CO 0.56 0.45 1.95 0.00 -0.01 0.00 0.00 175.02 177.97 2kl3 n ALA 42 N 0.66 4.82 -3.72 3.03 0.00 -1.26 -1.80 120.51 122.24 2kl3 n ALA 42 Ca -0.04 -3.99 -0.34 0.00 0.00 0.00 0.00 53.44 49.07 2kl3 n ALA 42 Cb 0.52 -3.40 -0.08 0.00 0.00 0.00 0.00 19.45 16.48 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 2.77 2.99 0.30 0.00 1.00 -1.23 -4.99 119.30 120.14 2kl3 s MET 43 Ca 0.47 -3.26 -0.29 0.00 0.00 0.00 0.00 55.69 52.61 2kl3 s MET 43 Cb 0.09 -3.79 -0.10 0.00 0.00 0.00 0.00 34.83 31.03 2kl3 s MET 43 CO -0.02 -1.26 1.31 -2.14 0.00 0.00 0.00 175.02 172.91 2kl3 s PRO 44 N -1.31 4.37 0.56 2.03 0.02 -1.21 -3.30 135.00 136.17 2kl3 s PRO 44 Ca 0.26 2.18 0.38 0.00 0.02 0.00 0.00 61.00 63.84 2kl3 s PRO 44 Cb -0.07 -3.10 1.53 0.00 0.02 0.00 0.00 34.50 32.87 2kl3 s PRO 44 CO -0.13 -0.20 1.71 0.97 -0.33 0.00 0.00 177.00 179.02 2kl3 h ILE 45 N 3.19 0.27 0.00 2.83 2.10 -1.66 0.95 117.51 125.18 2kl3 h ILE 45 Ca -0.48 0.00 -0.24 0.00 1.08 0.00 0.00 64.86 65.23 2kl3 h ILE 45 Cb 1.22 0.29 -0.04 0.00 -1.09 0.00 0.00 36.82 37.21 2kl3 h ILE 45 CO 0.68 0.00 -1.40 1.05 -1.08 0.00 0.00 178.15 177.40 2kl3 h GLU 46 N 0.00 0.00 -0.05 2.19 -0.00 -1.89 -3.31 114.58 111.51 2kl3 h GLU 46 Ca 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.97 2kl3 h GLU 46 Cb 2.58 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 31.33 2kl3 h GLU 46 CO -0.01 0.57 0.00 -3.47 -0.00 0.00 0.00 179.01 176.11 2kl3 n ASP 47 N -3.10 2.95 0.05 3.06 2.03 0.19 -4.70 116.55 117.03 2kl3 n ASP 47 Ca -0.10 -1.97 -0.13 0.00 0.52 0.00 0.00 54.79 53.10 2kl3 n ASP 47 Cb 0.96 -0.02 -0.07 0.00 -0.72 0.00 0.00 41.12 41.28 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 4.57 -1.26 0.21 -2.67 5.85 0.51 -0.37 115.31 122.15 2kl3 h LEU 48 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2kl3 h LEU 48 Cb 0.97 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 2kl3 h LEU 48 CO 0.00 -0.45 -0.19 0.58 -0.34 0.00 0.00 178.44 178.04 2kl3 h VAL 49 N -0.55 0.58 -0.44 1.05 2.07 -1.84 0.12 116.25 117.24 2kl3 h VAL 49 Ca 0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.59 2kl3 h VAL 49 Cb 0.64 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2kl3 h VAL 49 CO -0.33 0.00 0.26 0.44 0.02 0.00 0.00 177.57 177.96 2kl3 h ASP 50 N -0.43 0.42 -0.02 0.57 5.19 -1.88 -0.54 116.42 119.74 2kl3 h ASP 50 Ca -0.00 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.43 2kl3 h ASP 50 Cb 0.39 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.79 2kl3 h ASP 50 CO -0.03 0.30 -0.10 0.03 -3.12 0.00 0.00 179.24 176.32 2kl3 h ARG 51 N 0.53 -0.15 0.16 3.56 2.47 -0.81 -2.75 114.38 117.38 2kl3 h ARG 51 Ca 0.17 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.89 2kl3 h ARG 51 Cb 0.00 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 2kl3 h ARG 51 CO -0.08 -0.10 -0.08 0.00 0.56 0.00 0.00 179.97 180.27 2kl3 h ALA 52 N 0.83 -0.22 -0.47 0.04 0.00 -0.50 -2.29 119.26 116.66 2kl3 h ALA 52 Ca 0.04 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2kl3 h ALA 52 Cb 0.22 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2kl3 h ALA 52 CO -0.11 -0.51 0.32 1.03 0.00 0.00 0.00 179.25 179.97 2kl3 h SER 53 N -0.44 0.36 -0.09 0.00 0.87 -1.16 0.89 113.55 113.98 2kl3 h SER 53 Ca -0.02 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2kl3 h SER 53 Cb 0.34 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2kl3 h SER 53 CO 0.04 0.24 0.00 -1.20 -0.53 0.00 0.00 176.83 175.37 2kl3 n SER 54 N -4.48 1.55 0.10 6.23 7.64 -1.04 -4.59 113.62 119.03 2kl3 n SER 54 Ca 0.06 -1.59 0.00 0.00 1.01 0.00 0.00 58.87 58.35 2kl3 n SER 54 Cb 0.24 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2kl3 n SER 54 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2kl3 n SER 55 N 0.22 -0.01 -4.92 6.43 7.64 -0.39 -5.06 113.62 117.54 2kl3 n SER 55 Ca 0.18 0.32 -0.26 0.00 1.01 0.00 0.00 58.87 60.12 2kl3 n SER 55 Cb 0.34 0.23 0.02 0.00 -1.01 0.00 0.00 64.21 63.79 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 -6.45 3.36 0.49 -3.43 1.43 0.30 -5.06 118.68 109.32 2kl3 s LEU 56 Ca 0.00 0.72 0.09 0.00 -1.03 0.00 0.00 54.13 53.91 2kl3 s LEU 56 Cb 0.00 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.68 2kl3 s LEU 56 CO 0.00 -0.92 0.63 -1.61 0.23 0.00 0.00 176.35 174.68 2kl3 s GLU 57 N -4.89 2.53 -0.15 1.70 8.01 -1.26 -4.52 118.70 120.12 2kl3 s GLU 57 Ca 0.52 -1.50 0.18 0.00 0.01 0.00 0.00 54.97 54.18 2kl3 s GLU 57 Cb -0.10 -2.63 -0.25 0.00 -4.31 0.00 0.00 34.13 26.84 2kl3 s GLU 57 CO 0.44 -0.54 0.23 1.63 0.01 0.00 0.00 175.26 177.04 2kl3 n LYS 58 N -1.98 0.68 0.16 1.61 5.02 -1.26 -4.17 118.16 118.22 2kl3 n LYS 58 Ca 0.10 0.02 0.11 0.00 -2.02 0.00 0.00 58.31 56.52 2kl3 n LYS 58 Cb 0.61 -1.57 0.08 0.00 -0.02 0.00 0.00 35.03 34.13 2kl3 n LYS 58 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2kl3 h SER 59 N 0.00 0.00 -3.53 4.39 0.87 -1.95 -0.50 113.55 112.83 2kl3 h SER 59 Ca -0.43 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 59.61 2kl3 h SER 59 Cb 2.04 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.99 2kl3 h SER 59 CO 0.03 0.05 0.42 -0.60 -0.53 0.00 0.00 176.83 176.21 2kl3 s ARG 60 N -3.25 4.63 -0.10 2.24 3.00 -1.26 -4.69 118.95 119.52 2kl3 s ARG 60 Ca 0.03 1.59 -0.29 0.00 -1.00 0.00 0.00 55.73 56.06 2kl3 s ARG 60 Cb 0.07 -3.33 -0.05 0.00 0.00 0.00 0.00 34.95 31.63 2kl3 s ARG 60 CO 0.73 0.12 1.80 -0.51 0.00 0.00 0.00 175.30 177.43 2kl3 s ASP 61 N 0.05 6.36 -0.09 -2.12 1.01 -1.26 -4.52 116.67 116.09 2kl3 s ASP 61 Ca 0.49 2.12 0.03 0.00 0.71 0.00 0.00 52.55 55.90 2kl3 s ASP 61 Cb -0.26 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.13 2kl3 s ASP 61 CO 0.32 -1.20 -0.21 -0.63 0.21 0.00 0.00 175.17 173.66 2kl3 s ILE 62 N 5.07 2.40 -0.22 0.77 1.01 0.09 -2.19 121.20 128.13 2kl3 s ILE 62 Ca 0.80 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 2kl3 s ILE 62 Cb -0.33 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.19 2kl3 s ILE 62 CO 0.33 0.55 -0.02 -0.31 0.00 0.00 0.00 174.94 175.50 2kl3 s TYR 63 N 0.15 2.98 -0.16 3.97 2.02 0.27 -1.62 117.35 124.97 2kl3 s TYR 63 Ca -0.11 -0.81 -0.06 0.00 -0.37 0.00 0.00 57.07 55.72 2kl3 s TYR 63 Cb -0.16 -2.13 -0.04 0.00 -0.40 0.00 0.00 41.96 39.24 2kl3 s TYR 63 CO 0.06 -0.49 0.03 0.08 -1.57 0.00 0.00 175.55 173.66 2kl3 s VAL 64 N 1.47 4.55 -0.06 0.71 1.01 0.30 -0.51 120.40 127.87 2kl3 s VAL 64 Ca 0.06 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2kl3 s VAL 64 Cb -0.14 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.23 2kl3 s VAL 64 CO -0.02 0.49 -0.12 -0.72 0.00 0.00 0.00 175.10 174.74 2kl3 s TYR 65 N 0.16 1.41 0.51 5.22 1.13 -0.78 -0.51 117.35 124.48 2kl3 s TYR 65 Ca 0.03 -0.50 0.02 0.00 -1.41 0.00 0.00 57.07 55.21 2kl3 s TYR 65 Cb -0.13 -1.04 -0.01 0.00 -1.10 0.00 0.00 41.96 39.69 2kl3 s TYR 65 CO 0.01 -0.26 0.07 0.20 -2.51 0.00 0.00 175.55 173.06 2kl3 s GLY 66 N 0.64 2.89 0.35 5.49 0.00 -1.26 -2.62 107.32 112.81 2kl3 s GLY 66 Ca -0.14 -0.64 0.18 0.00 0.00 0.00 0.00 44.72 44.12 2kl3 s GLY 66 CO 0.03 -2.15 1.68 0.00 0.00 0.00 0.00 173.10 172.66 2kl3 h ALA 67 N 1.28 0.93 -2.39 3.20 0.00 -1.94 -3.41 119.26 116.93 2kl3 h ALA 67 Ca -0.43 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 53.93 2kl3 h ALA 67 Cb 1.31 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.88 2kl3 h ALA 67 CO 0.72 0.51 -0.65 0.20 0.00 0.00 0.00 179.25 180.02 2kl3 s GLY 68 N -4.38 0.91 0.37 0.00 0.00 -1.26 -4.97 107.32 97.99 2kl3 s GLY 68 Ca 0.01 -1.43 0.06 0.00 0.00 0.00 0.00 44.72 43.35 2kl3 s GLY 68 CO 0.70 -1.36 1.97 -1.80 0.00 0.00 0.00 173.10 172.61 2kl3 h ASP 69 N 2.91 0.49 -0.28 1.64 3.58 -1.98 -1.06 116.42 121.72 2kl3 h ASP 69 Ca -0.35 -0.05 -0.06 0.00 0.42 0.00 0.00 57.03 56.99 2kl3 h ASP 69 Cb 1.19 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 42.11 2kl3 h ASP 69 CO 0.60 0.45 -0.07 -0.08 -2.88 0.00 0.00 179.24 177.26 2kl3 h GLU 70 N 0.55 0.54 -0.51 0.28 4.81 -1.99 -1.83 114.58 116.42 2kl3 h GLU 70 Ca 0.13 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2kl3 h GLU 70 Cb 0.11 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2kl3 h GLU 70 CO -0.01 0.75 0.21 0.37 -0.73 0.00 0.00 179.01 179.59 2kl3 h GLN 71 N 0.29 0.77 0.40 1.92 4.15 -1.81 -1.56 115.11 119.27 2kl3 h GLN 71 Ca 0.07 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 2kl3 h GLN 71 Cb 0.55 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.12 2kl3 h GLN 71 CO 0.03 0.68 -0.19 1.79 -1.93 0.00 0.00 178.83 179.20 2kl3 h THR 72 N 0.69 0.61 -0.51 2.39 1.35 -1.26 -1.87 112.91 114.31 2kl3 h THR 72 Ca 0.17 -0.05 0.10 0.00 -0.55 0.00 0.00 66.41 66.08 2kl3 h THR 72 Cb 0.19 0.64 -0.09 0.00 -1.73 0.00 0.00 68.15 67.16 2kl3 h THR 72 CO -0.01 0.01 -0.07 -1.28 -0.25 0.00 0.00 175.52 173.92 2kl3 h SER 73 N -0.57 -0.35 -0.25 5.36 0.87 -1.15 0.12 113.55 117.57 2kl3 h SER 73 Ca -0.06 0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 60.60 2kl3 h SER 73 Cb 0.43 0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 2kl3 h SER 73 CO 0.09 -0.13 -0.02 -0.61 -0.53 0.00 0.00 176.83 175.63 2kl3 h GLN 74 N 0.05 0.46 -0.04 2.24 4.15 -1.29 -1.75 115.11 118.93 2kl3 h GLN 74 Ca 0.25 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 2kl3 h GLN 74 Cb 0.39 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 2kl3 h GLN 74 CO -0.48 0.66 0.03 0.00 -1.93 0.00 0.00 178.83 177.10 2kl3 h ALA 75 N 0.79 0.06 -0.51 3.38 0.00 -0.78 -1.58 119.26 120.62 2kl3 h ALA 75 Ca 0.07 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.04 2kl3 h ALA 75 Cb 0.46 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 2kl3 h ALA 75 CO 0.02 -0.43 0.10 0.28 0.00 0.00 0.00 179.25 179.22 2kl3 h VAL 76 N 0.02 0.71 -0.47 0.00 2.07 -0.79 -1.89 116.25 115.90 2kl3 h VAL 76 Ca 0.02 -0.08 0.09 0.00 0.82 0.00 0.00 66.70 67.55 2kl3 h VAL 76 Cb 0.04 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 30.18 2kl3 h VAL 76 CO -0.00 0.04 -0.03 -1.13 0.02 0.00 0.00 177.57 176.47 2kl3 h ASN 77 N 0.24 -0.26 -1.00 0.57 -1.24 -0.96 -1.74 115.58 111.19 2kl3 h ASN 77 Ca 0.26 0.12 0.07 0.00 0.71 0.00 0.00 56.30 57.46 2kl3 h ASN 77 Cb 0.35 0.22 -0.07 0.00 0.73 0.00 0.00 38.32 39.55 2kl3 h ASN 77 CO -0.34 -0.09 0.65 -0.07 -1.29 0.00 0.00 177.43 176.29 2kl3 h LEU 78 N 0.08 1.03 -0.25 0.34 3.38 -0.51 0.29 115.31 119.67 2kl3 h LEU 78 Ca 0.24 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 2kl3 h LEU 78 Cb 0.36 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2kl3 h LEU 78 CO -0.42 0.65 -0.07 -0.07 0.09 0.00 0.00 178.44 178.61 2kl3 h LEU 79 N 1.16 0.49 -1.39 1.67 3.38 -0.83 -1.61 115.31 118.18 2kl3 h LEU 79 Ca 0.44 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2kl3 h LEU 79 Cb 0.20 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2kl3 h LEU 79 CO -0.18 0.76 -0.14 0.03 0.09 0.00 0.00 178.44 179.00 2kl3 h ARG 80 N 0.22 0.23 -0.25 1.13 3.08 -0.78 -0.04 114.38 117.99 2kl3 h ARG 80 Ca 0.06 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 2kl3 h ARG 80 Cb 0.55 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2kl3 h ARG 80 CO 0.03 0.38 0.04 1.03 -1.07 0.00 0.00 179.97 180.38 2kl3 h SER 81 N 0.22 0.32 0.45 7.04 0.87 -0.21 -0.73 113.55 121.51 2kl3 h SER 81 Ca 0.04 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2kl3 h SER 81 Cb 0.38 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2kl3 h SER 81 CO 0.02 0.35 -0.07 0.00 -0.53 0.00 0.00 176.83 176.60 2kl3 n ALA 82 N -2.49 2.65 0.00 6.23 0.00 -0.19 -4.92 120.51 121.80 2kl3 n ALA 82 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2kl3 n ALA 82 Cb 0.17 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 1.28 0.58 3.62 0.00 0.00 -0.28 -5.04 105.19 105.35 2kl3 n GLY 83 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 1.56 -0.03 1.61 0.40 -0.27 -4.89 117.98 114.36 2kl3 s PHE 84 Ca 0.00 0.41 -0.21 0.00 -0.60 0.00 0.00 56.93 56.53 2kl3 s PHE 84 Cb 0.00 -4.04 -0.14 0.00 0.51 0.00 0.00 43.02 39.35 2kl3 s PHE 84 CO 0.00 -3.76 0.94 0.93 0.70 0.00 0.00 175.22 174.03 2kl3 h GLU 85 N 12.85 -0.37 -4.50 0.44 5.08 -1.43 -3.37 114.58 123.28 2kl3 h GLU 85 Ca -0.39 0.03 -0.75 0.00 -1.00 0.00 0.00 59.36 57.25 2kl3 h GLU 85 Cb 1.20 0.08 -0.20 0.00 0.50 0.00 0.00 28.75 30.33 2kl3 h GLU 85 CO 0.98 -0.03 1.07 -1.01 -1.00 0.00 0.00 179.01 179.03 2kl3 s HIS 86 N -3.84 3.64 -0.13 4.33 3.76 -0.98 -4.96 115.29 117.11 2kl3 s HIS 86 Ca -0.12 -2.18 -0.00 0.00 -0.15 0.00 0.00 55.06 52.61 2kl3 s HIS 86 Cb 0.01 -4.20 0.02 0.00 1.11 0.00 0.00 32.58 29.53 2kl3 s HIS 86 CO 0.44 -1.30 -0.11 0.08 -0.85 0.00 0.00 174.74 173.01 2kl3 s VAL 87 N 1.04 1.29 -0.03 -0.90 1.01 -1.26 -0.73 120.40 120.83 2kl3 s VAL 87 Ca 0.38 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2kl3 s VAL 87 Cb -0.05 -1.26 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 2kl3 s VAL 87 CO -0.03 0.41 -0.13 -0.55 0.00 0.00 0.00 175.10 174.80 2kl3 s SER 88 N 1.60 1.59 0.24 3.32 0.15 -0.64 -4.76 113.70 115.20 2kl3 s SER 88 Ca 0.05 -0.25 -0.18 0.00 0.70 0.00 0.00 55.95 56.26 2kl3 s SER 88 Cb -0.13 -0.38 -0.08 0.00 -1.71 0.00 0.00 66.02 63.72 2kl3 s SER 88 CO -0.09 0.11 0.71 -1.83 1.20 0.00 0.00 173.24 173.34 2kl3 s GLU 89 N 0.04 4.19 -0.17 5.44 -1.05 0.30 -0.54 118.70 126.90 2kl3 s GLU 89 Ca -0.02 0.80 -0.29 0.00 -0.15 0.00 0.00 54.97 55.32 2kl3 s GLU 89 Cb -0.09 -2.80 -0.00 0.00 -0.44 0.00 0.00 34.13 30.80 2kl3 s GLU 89 CO 0.01 0.36 1.00 -1.17 0.95 0.00 0.00 175.26 176.40 2kl3 s LEU 90 N -2.16 4.17 -0.01 1.83 2.96 0.33 -0.40 118.68 125.40 2kl3 s LEU 90 Ca 0.45 1.41 -0.30 0.00 -0.22 0.00 0.00 54.13 55.47 2kl3 s LEU 90 Cb -0.15 -3.51 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 2kl3 s LEU 90 CO 0.20 -0.54 1.33 -0.54 -1.32 0.00 0.00 176.35 175.47 2kl3 s LYS 91 N 2.58 4.31 0.00 1.98 1.02 -0.08 -3.02 119.74 126.54 2kl3 s LYS 91 Ca 0.45 1.87 0.00 0.00 0.02 0.00 0.00 55.97 58.31 2kl3 s LYS 91 Cb -0.17 -3.54 0.00 0.00 -0.52 0.00 0.00 37.83 33.61 2kl3 s LYS 91 CO 0.12 -0.51 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 2kl3 n GLY 92 N 3.53 2.01 7.00 -3.33 0.00 -1.26 -3.49 105.19 109.64 2kl3 n GLY 92 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.66 0.25 -0.02 0.00 -1.17 -2.39 105.19 100.53 2kl3 n GLY 93 Ca 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 46.02 45.20 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 0.53 -0.76 0.99 5.85 -1.93 -2.77 115.31 117.22 2kl3 h LEU 94 Ca 0.00 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.60 2kl3 h LEU 94 Cb 0.00 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 2kl3 h LEU 94 CO 0.00 0.71 0.48 0.00 -0.34 0.00 0.00 178.44 179.29 2kl3 h ALA 95 N 1.34 1.00 -0.35 1.25 0.00 -1.96 0.60 119.26 121.14 2kl3 h ALA 95 Ca 0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2kl3 h ALA 95 Cb 0.56 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2kl3 h ALA 95 CO 0.04 0.26 0.08 0.00 0.00 0.00 0.00 179.25 179.63 2kl3 h ALA 96 N 1.33 0.46 -0.77 0.00 0.00 -1.29 0.93 119.26 119.91 2kl3 h ALA 96 Ca 0.31 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.16 2kl3 h ALA 96 Cb 0.04 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.61 2kl3 h ALA 96 CO -0.12 0.13 0.37 2.35 0.00 0.00 0.00 179.25 181.98 2kl3 h TRP 97 N 0.41 0.65 -0.27 0.00 2.91 -1.13 -1.94 115.95 116.57 2kl3 h TRP 97 Ca 0.11 0.03 -0.19 0.00 1.13 0.00 0.00 58.89 59.97 2kl3 h TRP 97 Cb 0.31 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 28.79 2kl3 h TRP 97 CO 0.02 0.17 -0.56 0.87 -1.03 0.00 0.00 178.44 177.90 2kl3 h LYS 98 N 0.57 0.85 -0.74 2.65 1.57 -0.65 0.29 116.57 121.11 2kl3 h LYS 98 Ca 0.41 -0.55 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 2kl3 h LYS 98 Cb 0.53 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 2kl3 h LYS 98 CO -0.34 1.18 0.43 0.00 -0.57 0.00 0.00 179.45 180.15 2kl3 h ALA 99 N 0.71 1.38 -0.03 3.86 0.00 -0.22 -1.30 119.26 123.65 2kl3 h ALA 99 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kl3 h ALA 99 Cb 1.17 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2kl3 h ALA 99 CO 0.12 0.53 0.00 0.44 0.00 0.00 0.00 179.25 180.35 2kl3 n ILE 100 N -4.38 0.04 -0.58 0.00 -5.35 -0.78 -4.86 119.36 103.44 2kl3 n ILE 100 Ca 0.08 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 2kl3 n ILE 100 Cb 0.08 -0.14 0.00 0.00 -1.74 0.00 0.00 39.64 37.84 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 0.80 0.64 3.76 3.28 0.00 -0.49 -5.04 105.19 108.14 2kl3 n GLY 101 Ca 0.12 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.55 2.79 0.09 -0.02 0.00 0.10 -4.98 107.32 102.75 2kl3 s GLY 102 Ca 0.00 1.29 -0.31 0.00 0.00 0.00 0.00 44.72 45.70 2kl3 s GLY 102 CO 0.00 2.04 1.25 2.56 0.00 0.00 0.00 173.10 178.95 2kl3 s PRO 103 N -1.35 4.41 0.16 2.90 0.04 -1.26 -4.57 135.00 135.33 2kl3 s PRO 103 Ca 0.52 1.87 0.08 0.00 0.04 0.00 0.00 61.00 63.51 2kl3 s PRO 103 Cb -0.40 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 2kl3 s PRO 103 CO 0.50 -0.29 -0.18 0.95 0.04 0.00 0.00 177.00 178.02 2kl3 s THR 104 N 0.95 1.82 0.48 1.26 -4.23 -1.26 -2.30 115.64 112.35 2kl3 s THR 104 Ca 0.60 -1.91 0.05 0.00 -1.18 0.00 0.00 61.69 59.25 2kl3 s THR 104 Cb -0.32 -1.84 -0.01 0.00 1.34 0.00 0.00 72.50 71.67 2kl3 s THR 104 CO 0.30 -0.31 0.21 -1.61 -0.54 0.00 0.00 174.62 172.67 2kl3 s GLU 105 N -2.78 2.22 0.00 3.99 2.02 0.11 -4.77 118.70 119.49 2kl3 s GLU 105 Ca 0.16 -2.05 0.00 0.00 0.02 0.00 0.00 54.97 53.10 2kl3 s GLU 105 Cb -0.06 -1.90 0.00 0.00 0.10 0.00 0.00 34.13 32.27 2kl3 s GLU 105 CO 0.07 -0.35 0.00 0.41 0.02 0.00 0.00 175.26 175.41 2kl3 n GLY 106 N -1.42 1.90 0.13 -1.39 0.00 -1.26 -0.23 105.19 102.92 2kl3 n GLY 106 Ca -0.06 -1.25 -0.21 0.00 0.00 0.00 0.00 46.02 44.49 2kl3 n GLY 106 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2kl3 n ILE 107 N -1.19 1.72 0.17 -0.61 5.41 0.12 -4.17 119.36 120.81 2kl3 n ILE 107 Ca 0.00 -0.55 0.02 0.00 1.00 0.00 0.00 62.75 63.22 2kl3 n ILE 107 Cb 0.00 -1.76 0.28 0.00 -0.71 0.00 0.00 39.64 37.45 2kl3 n ILE 107 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 176.55 176.71 2kl3 h ILE 108 N -0.11 1.24 -0.42 1.39 -0.00 -1.44 -3.39 117.51 114.77 2kl3 h ILE 108 Ca -0.43 -1.70 -0.42 0.00 -0.00 0.00 0.00 64.86 62.31 2kl3 h ILE 108 Cb 1.91 1.94 -0.03 0.00 -0.00 0.00 0.00 36.82 40.64 2kl3 h ILE 108 CO 0.02 0.47 1.39 -0.62 -0.00 0.00 0.00 178.15 179.41 2kl3 n GLU 109 N -3.81 1.75 0.00 0.16 -0.58 -1.20 -2.63 120.64 114.33 2kl3 n GLU 109 Ca -0.01 -2.45 0.00 0.00 -0.42 0.00 0.00 57.16 54.28 2kl3 n GLU 109 Cb 0.52 -3.58 0.00 0.00 -0.57 0.00 0.00 31.44 27.81 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 12.70 0.00 -4.64 1.62 2.88 -1.26 -4.63 113.62 120.29 2kl3 n SER 110 Ca 0.46 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.59 2kl3 n SER 110 Cb 0.45 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.87 2kl3 n SER 110 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2kl3 s ARG 111 N -0.92 4.17 -0.07 -1.46 3.00 -1.08 -5.04 118.95 117.55 2kl3 s ARG 111 Ca 0.00 0.85 -0.22 0.00 0.00 0.00 0.00 55.73 56.36 2kl3 s ARG 111 Cb 0.00 -3.64 -0.04 0.00 0.00 0.00 0.00 34.95 31.27 2kl3 s ARG 111 CO 0.00 -0.48 0.64 -0.08 0.00 0.00 0.00 175.30 175.38 2kl3 s THR 112 N 2.70 5.06 -0.73 0.02 -1.32 -1.26 -5.02 115.64 115.10 2kl3 s THR 112 Ca 0.33 1.31 -0.26 0.00 -1.21 0.00 0.00 61.69 61.86 2kl3 s THR 112 Cb -0.15 -3.98 0.01 0.00 -1.51 0.00 0.00 72.50 66.87 2kl3 s THR 112 CO 0.08 0.29 1.55 -2.84 -2.21 0.00 0.00 174.62 171.48 2kl3 s PRO 113 N 0.65 2.98 -0.26 7.08 0.02 -1.26 -4.97 135.00 139.24 2kl3 s PRO 113 Ca 0.34 -0.01 0.02 0.00 0.02 0.00 0.00 61.00 61.38 2kl3 s PRO 113 Cb -0.17 -4.41 0.06 0.00 0.02 0.00 0.00 34.50 30.00 2kl3 s PRO 113 CO 0.16 -2.45 -0.07 0.00 -0.33 0.00 0.00 177.00 174.31 2kl3 s ALA 114 N 7.17 2.42 0.00 -1.55 0.00 -1.26 -5.04 121.76 123.50 2kl3 s ALA 114 Ca 0.50 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.72 2kl3 s ALA 114 Cb -0.09 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.44 2kl3 s ALA 114 CO 0.14 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 175.05 2kl3 n GLY 115 N 4.48 0.38 3.53 0.00 0.00 -1.26 -5.19 105.19 107.13 2kl3 n GLY 115 Ca -0.11 0.66 -0.08 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.88 0.00 4.61 0.00 -1.26 -5.20 121.76 118.03 2kl3 s ALA 116 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2kl3 s ALA 116 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.29 2kl3 s ALA 116 CO 0.00 -0.62 0.00 -0.40 0.00 0.00 0.00 175.76 174.74 2kl3 n ASP 117 N -0.08 0.45 -3.71 0.00 5.75 -1.26 -5.19 116.55 112.51 2kl3 n ASP 117 Ca -0.07 -0.98 -0.10 0.00 -0.01 0.00 0.00 54.79 53.62 2kl3 n ASP 117 Cb 0.61 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.64 2kl3 n ASP 117 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2kl3 s ASP 118 N -0.97 -0.12 -0.32 -1.12 2.15 -1.26 -5.14 116.67 109.89 2kl3 s ASP 118 Ca 0.00 -0.39 0.04 0.00 0.43 0.00 0.00 52.55 52.63 2kl3 s ASP 118 Cb 0.00 0.42 0.19 0.00 -0.30 0.00 0.00 42.92 43.23 2kl3 s ASP 118 CO 0.00 -0.79 0.66 -0.47 -0.17 0.00 0.00 175.17 174.40 2kl3 s TYR 119 N -3.66 -1.65 0.00 -5.34 5.04 -1.26 -5.01 117.35 105.47 2kl3 s TYR 119 Ca 0.03 0.77 0.01 0.00 -2.44 0.00 0.00 57.07 55.43 2kl3 s TYR 119 Cb 0.02 0.29 0.01 0.00 0.35 0.00 0.00 41.96 42.64 2kl3 s TYR 119 CO -0.11 -1.01 0.69 0.27 -1.34 0.00 0.00 175.55 174.05 2kl3 n ASN 120 N 5.07 -0.23 -4.71 4.32 2.04 -1.26 -5.13 115.26 115.35 2kl3 n ASN 120 Ca 0.07 -1.36 -0.39 0.00 -0.44 0.00 0.00 54.58 52.46 2kl3 n ASN 120 Cb 0.55 0.06 -0.06 0.00 -2.53 0.00 0.00 39.78 37.80 2kl3 n ASN 120 CO 0.00 0.00 0.00 0.68 -0.44 0.00 0.00 177.26 177.50 2kl3 s VAL 121 N 0.00 5.14 -0.10 3.53 -7.23 -1.26 -4.82 120.40 115.66 2kl3 s VAL 121 Ca 0.01 1.10 -0.07 0.00 -1.81 0.00 0.00 61.98 61.21 2kl3 s VAL 121 Cb 0.01 -3.89 0.03 0.00 0.56 0.00 0.00 36.38 33.09 2kl3 s VAL 121 CO -0.00 0.29 0.15 0.52 -0.31 0.00 0.00 175.10 175.74 2kl3 n VAL 122 N 3.80-13.12 -3.15 1.32 0.31 -1.26 -5.07 118.33 101.16 2kl3 n VAL 122 Ca -0.05 2.96 0.04 0.00 -0.01 0.00 0.00 64.34 67.28 2kl3 n VAL 122 Cb 0.51 -6.34 -0.00 0.00 -0.91 0.00 0.00 33.84 27.10 2kl3 n VAL 122 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2kl3 s SER 123 N -0.63 -1.54 -0.05 4.52 0.15 -1.26 -5.16 113.70 109.72 2kl3 s SER 123 Ca -0.17 0.11 -0.12 0.00 0.70 0.00 0.00 55.95 56.47 2kl3 s SER 123 Cb 0.01 1.97 0.02 0.00 -1.71 0.00 0.00 66.02 66.32 2kl3 s SER 123 CO 0.46 -0.27 0.29 -0.60 1.20 0.00 0.00 173.24 174.31 2kl3 s ARG 124 N 2.77 0.53 -0.15 5.44 3.52 -1.26 -5.17 118.95 124.63 2kl3 s ARG 124 Ca 0.12 0.02 -0.09 0.00 -0.13 0.00 0.00 55.73 55.65 2kl3 s ARG 124 Cb -0.09 0.24 0.05 0.00 -1.56 0.00 0.00 34.95 33.59 2kl3 s ARG 124 CO -0.24 -0.12 0.36 -1.17 -0.81 0.00 0.00 175.30 173.31 2kl3 s LEU 125 N -0.75 0.16 -0.17 -0.88 1.98 -1.26 -5.17 118.68 112.59 2kl3 s LEU 125 Ca -0.08 0.77 -0.19 0.00 -2.89 0.00 0.00 54.13 51.73 2kl3 s LEU 125 Cb -0.04 1.16 0.05 0.00 0.66 0.00 0.00 46.19 48.02 2kl3 s LEU 125 CO 0.02 -0.17 0.52 -0.70 -1.89 0.00 0.00 176.35 174.13 2kl3 s GLU 126 N 1.17 0.66 -0.30 1.98 -6.30 -1.26 -5.15 118.70 109.49 2kl3 s GLU 126 Ca -0.08 0.60 -0.08 0.00 -2.50 0.00 0.00 54.97 52.91 2kl3 s GLU 126 Cb -0.08 0.32 0.18 0.00 0.00 0.00 0.00 34.13 34.54 2kl3 s GLU 126 CO -0.09 -0.11 0.81 -3.38 0.02 0.00 0.00 175.26 172.50 2kl3 s HIS 127 N -0.01 -1.10 0.02 5.30 -3.43 -1.26 -5.17 115.29 109.64 2kl3 s HIS 127 Ca -0.02 1.34 0.02 0.00 -0.80 0.00 0.00 55.06 55.59 2kl3 s HIS 127 Cb -0.03 0.45 -0.02 0.00 -1.43 0.00 0.00 32.58 31.55 2kl3 s HIS 127 CO 0.02 -0.59 -0.06 -1.01 -2.00 0.00 0.00 174.74 171.10 2kl3 s HIS 128 N 2.84 0.50 -0.30 0.38 3.76 -1.26 -5.13 115.29 116.08 2kl3 s HIS 128 Ca 0.08 -0.35 0.03 0.00 -0.15 0.00 0.00 55.06 54.67 2kl3 s HIS 128 Cb -0.12 -0.31 0.20 0.00 1.11 0.00 0.00 32.58 33.45 2kl3 s HIS 128 CO -0.17 -0.07 0.67 -3.38 -0.85 0.00 0.00 174.74 170.93 2kl3 s HIS 129 N -0.94 -1.64 -0.25 1.40 -3.43 -1.26 -5.12 115.29 104.05 2kl3 s HIS 129 Ca -0.07 0.90 -0.04 0.00 -0.80 0.00 0.00 55.06 55.05 2kl3 s HIS 129 Cb -0.07 0.28 0.09 0.00 -1.43 0.00 0.00 32.58 31.45 2kl3 s HIS 129 CO 0.00 -0.97 0.11 -1.01 -2.00 0.00 0.00 174.74 170.88 2kl3 s HIS 130 N 2.77 0.34 -0.36 0.38 3.76 -1.26 -5.09 115.29 115.82 2kl3 s HIS 130 Ca 0.13 -0.72 0.01 0.00 -0.15 0.00 0.00 55.06 54.33 2kl3 s HIS 130 Cb -0.08 -0.86 0.11 0.00 1.11 0.00 0.00 32.58 32.86 2kl3 s HIS 130 CO -0.24 -0.72 0.15 -1.58 -0.85 0.00 0.00 174.74 171.50 2kl3 s HIS 131 N 2.09 2.01 0.00 1.40 2.46 -1.26 -5.38 115.29 116.61 2kl3 s HIS 131 Ca 0.06 -2.13 0.00 0.00 0.47 0.00 0.00 55.06 53.47 2kl3 s HIS 131 Cb -0.16 -1.90 0.00 0.00 -0.13 0.00 0.00 32.58 30.39 2kl3 s HIS 131 CO -0.27 -0.85 0.00 1.58 -2.47 0.00 0.00 174.74 172.74