#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 3.63 0.13 2.12 8.01 -1.26 -4.98 118.70 126.35 2kl3 s GLU 2 Ca 0.00 0.64 -0.33 0.00 0.01 0.00 0.00 54.97 55.30 2kl3 s GLU 2 Cb 0.00 -2.16 -0.11 0.00 -4.31 0.00 0.00 34.13 27.55 2kl3 s GLU 2 CO 0.00 -0.45 1.55 -1.35 0.01 0.00 0.00 175.26 175.02 2kl3 h PRO 3 N -0.03 -0.39 -4.81 0.39 0.11 -1.95 -3.40 132.00 121.92 2kl3 h PRO 3 Ca -0.45 0.03 -0.67 0.00 0.11 0.00 0.00 66.00 65.01 2kl3 h PRO 3 Cb 1.19 0.09 -0.23 0.00 0.11 0.00 0.00 31.00 32.16 2kl3 h PRO 3 CO 0.62 -0.26 -0.58 -0.65 -0.21 0.00 0.00 178.00 176.92 2kl3 s GLN 4 N -5.63 3.32 -0.07 1.05 -0.21 -1.26 -0.38 119.66 116.47 2kl3 s GLN 4 Ca -0.14 -0.72 -0.00 0.00 0.02 0.00 0.00 55.36 54.51 2kl3 s GLN 4 Cb 0.08 -3.49 -0.03 0.00 1.00 0.00 0.00 33.01 30.57 2kl3 s GLN 4 CO 0.61 -0.40 -0.04 -1.12 -2.12 0.00 0.00 175.29 172.22 2kl3 s SER 5 N 1.59 4.86 0.30 5.90 0.01 -0.41 -4.94 113.70 121.00 2kl3 s SER 5 Ca 0.04 0.04 -0.27 0.00 1.31 0.00 0.00 55.95 57.06 2kl3 s SER 5 Cb -0.17 -1.27 -0.09 0.00 0.21 0.00 0.00 66.02 64.69 2kl3 s SER 5 CO 0.05 0.37 0.98 -0.62 0.41 0.00 0.00 173.24 174.43 2kl3 s ASP 6 N -0.85 7.34 0.20 2.44 2.15 -1.26 -0.35 116.67 126.34 2kl3 s ASP 6 Ca 0.13 1.97 -0.11 0.00 0.43 0.00 0.00 52.55 54.96 2kl3 s ASP 6 Cb -0.11 -2.60 0.13 0.00 -0.30 0.00 0.00 42.92 40.04 2kl3 s ASP 6 CO 0.02 -0.07 1.87 0.00 -0.17 0.00 0.00 175.17 176.82 2kl3 h ALA 7 N 3.47 0.86 -0.54 3.66 0.00 -1.92 -0.86 119.26 123.94 2kl3 h ALA 7 Ca -0.46 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 2kl3 h ALA 7 Cb 1.20 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2kl3 h ALA 7 CO 0.66 0.29 -0.02 1.25 0.00 0.00 0.00 179.25 181.42 2kl3 h HIS 8 N 0.92 1.01 -0.65 0.00 -0.00 -1.89 0.31 115.15 114.84 2kl3 h HIS 8 Ca 0.25 -0.17 -0.07 0.00 -0.00 0.00 0.00 60.37 60.38 2kl3 h HIS 8 Cb -0.10 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.01 2kl3 h HIS 8 CO -0.03 0.92 0.12 0.28 -0.00 0.00 0.00 177.93 179.21 2kl3 h VAL 9 N 0.85 1.26 -0.24 5.26 2.07 -1.88 -2.12 116.25 121.46 2kl3 h VAL 9 Ca 0.15 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 2kl3 h VAL 9 Cb 0.53 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2kl3 h VAL 9 CO 0.03 0.37 0.06 0.25 0.02 0.00 0.00 177.57 178.31 2kl3 h LEU 10 N 0.99 0.35 -0.60 2.57 5.85 -0.82 -0.93 115.31 122.72 2kl3 h LEU 10 Ca 0.20 -0.22 0.10 0.00 0.84 0.00 0.00 57.88 58.81 2kl3 h LEU 10 Cb 0.41 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 2kl3 h LEU 10 CO 0.01 0.48 0.18 0.50 -0.34 0.00 0.00 178.44 179.27 2kl3 h LYS 11 N 0.21 0.33 -0.10 1.25 3.64 -0.79 0.24 116.57 121.35 2kl3 h LYS 11 Ca 0.07 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.27 2kl3 h LYS 11 Cb 0.26 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2kl3 h LYS 11 CO -0.00 0.22 -0.58 0.66 -2.27 0.00 0.00 179.45 177.48 2kl3 h SER 12 N 0.34 0.68 0.00 4.20 4.64 -1.33 -0.72 113.55 121.36 2kl3 h SER 12 Ca 0.31 -0.65 -0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2kl3 h SER 12 Cb 0.43 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2kl3 h SER 12 CO -0.35 1.22 -0.00 -0.09 -0.87 0.00 0.00 176.83 176.74 2kl3 h ARG 13 N 0.18 0.00 0.10 4.77 2.43 -0.89 0.34 114.38 121.31 2kl3 h ARG 13 Ca -0.04 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2kl3 h ARG 13 Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2kl3 h ARG 13 CO 0.12 0.00 -0.05 1.25 -1.51 0.00 0.00 179.97 179.78 2kl3 h LEU 14 N 0.00 -0.11 0.02 3.80 5.85 -0.15 0.37 115.31 125.09 2kl3 h LEU 14 Ca -0.00 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 2kl3 h LEU 14 Cb 0.00 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2kl3 h LEU 14 CO 0.00 0.49 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.25 2kl3 h GLU 15 N -0.99 -0.03 0.00 1.25 5.08 -1.06 -3.39 114.58 115.44 2kl3 h GLU 15 Ca -0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2kl3 h GLU 15 Cb 0.38 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2kl3 h GLU 15 CO 0.02 0.57 -0.27 -1.49 -1.00 0.00 0.00 179.01 176.84 2kl3 h TRP 16 N -0.66 0.00 0.00 4.33 4.06 -0.58 -3.47 115.95 119.64 2kl3 h TRP 16 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2kl3 h TRP 16 Cb 0.61 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.77 2kl3 h TRP 16 CO 0.14 0.80 0.00 0.41 -3.56 0.00 0.00 178.44 176.23 2kl3 n GLY 17 N 1.61 0.39 3.10 1.49 0.00 -0.79 -5.00 105.19 105.99 2kl3 n GLY 17 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 0.23 -0.08 1.61 2.12 0.13 -4.93 118.70 117.79 2kl3 s GLU 18 Ca 0.00 0.69 -0.01 0.00 0.36 0.00 0.00 54.97 56.01 2kl3 s GLU 18 Cb 0.00 -0.04 0.03 0.00 0.26 0.00 0.00 34.13 34.39 2kl3 s GLU 18 CO 0.00 -0.21 2.10 -0.35 -0.54 0.00 0.00 175.26 176.26 2kl3 n PRO 19 N 4.68 1.25 -0.09 4.30 -0.04 -1.26 -4.42 135.00 139.41 2kl3 n PRO 19 Ca -0.18 -0.43 0.02 0.00 -0.04 0.00 0.00 63.50 62.88 2kl3 n PRO 19 Cb 0.52 -1.20 0.07 0.00 -0.04 0.00 0.00 33.50 32.85 2kl3 n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kl3 n ALA 20 N 1.29 2.50 -2.70 0.55 0.00 -1.26 -4.86 120.51 116.04 2kl3 n ALA 20 Ca 0.09 -0.28 -0.24 0.00 0.00 0.00 0.00 53.44 53.02 2kl3 n ALA 20 Cb 0.54 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.76 2.85 -0.14 0.00 -0.12 -1.26 -4.56 117.98 112.98 2kl3 s PHE 21 Ca 0.10 -0.17 0.01 0.00 -0.05 0.00 0.00 56.93 56.83 2kl3 s PHE 21 Cb 0.06 -1.30 0.00 0.00 -0.63 0.00 0.00 43.02 41.14 2kl3 s PHE 21 CO 0.07 0.57 -0.17 0.99 -0.05 0.00 0.00 175.22 176.62 2kl3 s THR 22 N -2.10 2.51 -0.08 -4.49 2.01 0.26 -4.99 115.64 108.76 2kl3 s THR 22 Ca 0.31 -0.83 -0.16 0.00 0.31 0.00 0.00 61.69 61.32 2kl3 s THR 22 Cb -0.08 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 2kl3 s THR 22 CO 0.21 0.53 0.42 -0.63 -0.69 0.00 0.00 174.62 174.45 2kl3 s ILE 23 N 0.74 5.14 -0.16 1.82 1.09 -1.26 -0.46 121.20 128.12 2kl3 s ILE 23 Ca -0.07 0.84 -0.00 0.00 -1.10 0.00 0.00 60.65 60.32 2kl3 s ILE 23 Cb -0.16 -3.75 -0.00 0.00 -1.06 0.00 0.00 42.46 37.49 2kl3 s ILE 23 CO 0.01 0.44 -0.14 -0.76 -0.10 0.00 0.00 174.94 174.38 2kl3 s LEU 24 N -0.06 2.53 -0.61 2.97 1.43 -0.09 -0.39 118.68 124.45 2kl3 s LEU 24 Ca 0.23 -0.45 -0.22 0.00 -1.03 0.00 0.00 54.13 52.67 2kl3 s LEU 24 Cb -0.15 -1.58 0.07 0.00 0.03 0.00 0.00 46.19 44.56 2kl3 s LEU 24 CO 0.10 0.09 0.88 -0.62 0.23 0.00 0.00 176.35 177.03 2kl3 s ASP 25 N 0.82 6.20 0.00 2.29 -1.08 -0.26 -2.20 116.67 122.44 2kl3 s ASP 25 Ca -0.05 -0.98 0.23 0.00 -0.52 0.00 0.00 52.55 51.23 2kl3 s ASP 25 Cb -0.15 -2.39 0.49 0.00 -1.46 0.00 0.00 42.92 39.41 2kl3 s ASP 25 CO 0.00 -1.29 1.44 1.33 0.52 0.00 0.00 175.17 177.17 2kl3 n VAL 26 N 5.86 0.56 0.05 1.11 0.24 -1.07 -3.15 118.33 121.92 2kl3 n VAL 26 Ca -0.04 -0.74 -0.02 0.00 -2.04 0.00 0.00 64.34 61.49 2kl3 n VAL 26 Cb 0.45 0.82 -0.01 0.00 -1.47 0.00 0.00 33.84 33.64 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 4.19 -0.12 -1.27 7.34 3.08 -1.83 -2.28 114.38 123.48 2kl3 h ARG 27 Ca 0.00 0.01 0.27 0.00 0.07 0.00 0.00 59.98 60.33 2kl3 h ARG 27 Cb 0.93 0.03 -0.21 0.00 0.08 0.00 0.00 29.97 30.80 2kl3 h ARG 27 CO 0.00 -0.08 0.88 0.34 -1.07 0.00 0.00 179.97 180.04 2kl3 s ASP 28 N -2.39 -0.09 0.36 7.04 -1.08 -1.26 -4.53 116.67 114.73 2kl3 s ASP 28 Ca -0.02 0.02 0.11 0.00 -0.52 0.00 0.00 52.55 52.14 2kl3 s ASP 28 Cb 0.00 0.09 0.70 0.00 -1.46 0.00 0.00 42.92 42.25 2kl3 s ASP 28 CO 0.05 -0.14 1.83 -0.09 0.52 0.00 0.00 175.17 177.35 2kl3 h ARG 29 N 2.02 0.11 0.15 4.34 9.65 -1.95 0.14 114.38 128.84 2kl3 h ARG 29 Ca -0.07 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.77 2kl3 h ARG 29 Cb 1.15 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 2kl3 h ARG 29 CO 0.21 0.41 -0.07 0.66 2.80 0.00 0.00 179.97 183.98 2kl3 h SER 30 N 0.10 -0.17 -0.80 -3.80 4.64 -1.99 -2.64 113.55 108.88 2kl3 h SER 30 Ca 0.01 -0.36 0.12 0.00 -0.47 0.00 0.00 61.79 61.09 2kl3 h SER 30 Cb 0.60 0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 62.68 2kl3 h SER 30 CO 0.04 0.39 0.53 0.74 -0.87 0.00 0.00 176.83 177.66 2kl3 h THR 31 N -0.88 0.88 -0.62 2.95 2.02 -1.91 0.33 112.91 115.68 2kl3 h THR 31 Ca -0.02 -0.22 0.08 0.00 0.77 0.00 0.00 66.41 67.02 2kl3 h THR 31 Cb 0.52 0.19 -0.06 0.00 -1.74 0.00 0.00 68.15 67.06 2kl3 h THR 31 CO 0.03 0.12 0.29 0.22 0.37 0.00 0.00 175.52 176.55 2kl3 h TYR 32 N 0.64 0.52 -0.51 3.16 3.20 -0.76 -0.95 116.97 122.27 2kl3 h TYR 32 Ca 0.39 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.24 2kl3 h TYR 32 Cb 0.61 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 2kl3 h TYR 32 CO -0.00 0.20 0.13 -0.91 -1.64 0.00 0.00 178.16 175.94 2kl3 h ASN 33 N 0.52 0.76 -0.36 -2.11 2.35 -0.07 -3.17 115.58 113.51 2kl3 h ASN 33 Ca 0.30 -0.22 0.05 0.00 -0.55 0.00 0.00 56.30 55.87 2kl3 h ASN 33 Cb 0.29 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 2kl3 h ASN 33 CO -0.24 0.78 0.10 0.44 -1.65 0.00 0.00 177.43 176.86 2kl3 h ASP 34 N 0.70 0.08 -1.89 5.81 5.19 -0.33 0.20 116.42 126.17 2kl3 h ASP 34 Ca 0.16 0.05 0.19 0.00 -0.62 0.00 0.00 57.03 56.81 2kl3 h ASP 34 Cb 0.31 0.05 -0.31 0.00 0.18 0.00 0.00 39.33 39.57 2kl3 h ASP 34 CO -0.00 0.08 0.62 -0.83 -3.12 0.00 0.00 179.24 175.99 2kl3 s GLY 35 N -2.74 0.42 0.06 2.75 0.00 -0.41 -0.31 107.32 107.08 2kl3 s GLY 35 Ca -0.13 3.63 0.00 0.00 0.00 0.00 0.00 44.72 48.22 2kl3 s GLY 35 CO 0.71 2.83 -0.05 -2.38 0.00 0.00 0.00 173.10 174.21 2kl3 s HIS 36 N 1.30 0.62 0.40 1.90 -3.43 0.23 -4.59 115.29 111.72 2kl3 s HIS 36 Ca -0.07 -0.88 -0.27 0.00 -0.80 0.00 0.00 55.06 53.03 2kl3 s HIS 36 Cb -0.03 -0.41 -0.10 0.00 -1.43 0.00 0.00 32.58 30.62 2kl3 s HIS 36 CO -0.12 -0.25 1.48 0.42 -2.00 0.00 0.00 174.74 174.27 2kl3 s ILE 37 N -3.21 2.01 -0.47 -5.38 1.01 -1.26 -0.53 121.20 113.37 2kl3 s ILE 37 Ca 0.04 0.01 -0.26 0.00 0.00 0.00 0.00 60.65 60.43 2kl3 s ILE 37 Cb 0.03 -3.01 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 2kl3 s ILE 37 CO -0.06 0.00 2.25 -0.32 0.00 0.00 0.00 174.94 176.81 2kl3 s MET 38 N -2.23 2.40 0.00 2.79 -2.45 -0.82 -1.35 119.30 117.63 2kl3 s MET 38 Ca 0.56 1.34 0.00 0.00 -1.25 0.00 0.00 55.69 56.34 2kl3 s MET 38 Cb -0.46 -4.50 0.00 0.00 1.25 0.00 0.00 34.83 31.12 2kl3 s MET 38 CO 0.62 -2.95 0.00 0.41 1.05 0.00 0.00 175.02 174.15 2kl3 n GLY 39 N 5.89 1.24 3.87 2.11 0.00 -1.26 -4.99 105.19 112.04 2kl3 n GLY 39 Ca 0.32 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 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 3.44 0.14 4.61 0.00 -0.46 -4.39 121.76 123.10 2kl3 s ALA 40 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 51.96 51.71 2kl3 s ALA 40 Cb 0.00 -2.58 -0.05 0.00 0.00 0.00 0.00 23.12 20.49 2kl3 s ALA 40 CO 0.00 0.23 0.33 -1.64 0.00 0.00 0.00 175.76 174.69 2kl3 s MET 41 N -3.36 3.54 -1.23 0.00 -1.94 0.47 -4.92 119.30 111.87 2kl3 s MET 41 Ca 0.50 -0.25 -0.12 0.00 -1.71 0.00 0.00 55.69 54.10 2kl3 s MET 41 Cb -0.11 -2.90 0.17 0.00 2.01 0.00 0.00 34.83 34.01 2kl3 s MET 41 CO 0.25 0.49 1.56 0.00 -0.01 0.00 0.00 175.02 177.31 2kl3 n ALA 42 N -0.05 4.33 -3.73 3.03 0.00 -1.26 -1.10 120.51 121.72 2kl3 n ALA 42 Ca -0.04 -4.28 -0.35 0.00 0.00 0.00 0.00 53.44 48.77 2kl3 n ALA 42 Cb 0.52 -3.02 -0.09 0.00 0.00 0.00 0.00 19.45 16.86 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 1.13 2.66 0.27 0.00 -1.94 -1.19 -4.98 119.30 115.25 2kl3 s MET 43 Ca 0.42 -2.74 -0.30 0.00 -1.71 0.00 0.00 55.69 51.37 2kl3 s MET 43 Cb 0.01 -3.73 -0.10 0.00 2.01 0.00 0.00 34.83 33.02 2kl3 s MET 43 CO 0.00 -1.19 1.34 -1.25 -0.01 0.00 0.00 175.02 173.91 2kl3 s PRO 44 N -0.42 4.35 0.59 2.03 0.04 -1.23 -3.50 135.00 136.87 2kl3 s PRO 44 Ca 0.19 2.17 0.29 0.00 0.04 0.00 0.00 61.00 63.70 2kl3 s PRO 44 Cb -0.17 -3.12 1.41 0.00 0.04 0.00 0.00 34.50 32.65 2kl3 s PRO 44 CO -0.05 -0.25 1.81 0.97 0.04 0.00 0.00 177.00 179.51 2kl3 h ILE 45 N 3.39 0.30 -0.65 0.56 2.10 -1.64 0.57 117.51 122.14 2kl3 h ILE 45 Ca -0.47 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.41 2kl3 h ILE 45 Cb 1.22 0.53 -0.03 0.00 -1.09 0.00 0.00 36.82 37.45 2kl3 h ILE 45 CO 0.72 0.00 0.17 -0.33 -1.08 0.00 0.00 178.15 177.64 2kl3 h GLU 46 N 0.00 1.03 -0.20 2.19 4.39 -1.89 -3.27 114.58 116.83 2kl3 h GLU 46 Ca 0.26 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2kl3 h GLU 46 Cb 1.44 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 2kl3 h GLU 46 CO -0.00 0.92 0.00 -3.47 -1.16 0.00 0.00 179.01 175.30 2kl3 n ASP 47 N -4.32 2.46 -0.16 1.42 -0.08 0.16 -4.84 116.55 111.18 2kl3 n ASP 47 Ca 0.04 -1.79 -0.08 0.00 -1.51 0.00 0.00 54.79 51.45 2kl3 n ASP 47 Cb 0.24 -0.13 -0.03 0.00 2.34 0.00 0.00 41.12 43.54 2kl3 n ASP 47 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2kl3 h LEU 48 N 1.80 -1.35 -0.07 -2.67 5.85 -0.51 -0.80 115.31 117.56 2kl3 h LEU 48 Ca 0.00 0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.98 2kl3 h LEU 48 Cb 0.60 0.62 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 2kl3 h LEU 48 CO 0.00 -0.34 -0.21 0.58 -0.34 0.00 0.00 178.44 178.13 2kl3 h VAL 49 N -0.26 0.49 -0.29 1.05 2.07 -1.87 -0.38 116.25 117.06 2kl3 h VAL 49 Ca 0.17 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.64 2kl3 h VAL 49 Cb 0.57 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2kl3 h VAL 49 CO -0.62 0.00 -0.01 -0.78 0.02 0.00 0.00 177.57 176.18 2kl3 h ASP 50 N -0.30 0.50 -0.16 0.57 3.58 -1.85 -0.55 116.42 118.20 2kl3 h ASP 50 Ca 0.08 -0.32 0.04 0.00 0.42 0.00 0.00 57.03 57.26 2kl3 h ASP 50 Cb 0.41 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.28 2kl3 h ASP 50 CO -0.25 0.70 -0.13 0.03 -2.88 0.00 0.00 179.24 176.71 2kl3 h ARG 51 N 0.29 -0.13 0.14 0.28 2.47 -0.90 -2.61 114.38 113.92 2kl3 h ARG 51 Ca 0.08 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 2kl3 h ARG 51 Cb 0.45 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 2kl3 h ARG 51 CO 0.02 -0.09 -0.07 0.00 0.56 0.00 0.00 179.97 180.39 2kl3 h ALA 52 N 0.97 -0.19 -0.02 0.04 0.00 -1.05 -3.17 119.26 115.83 2kl3 h ALA 52 Ca 0.10 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2kl3 h ALA 52 Cb 0.29 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2kl3 h ALA 52 CO -0.25 -0.28 0.02 1.03 0.00 0.00 0.00 179.25 179.78 2kl3 h SER 53 N -0.86 0.00 1.27 0.00 0.87 -1.14 0.70 113.55 114.38 2kl3 h SER 53 Ca -0.02 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.46 2kl3 h SER 53 Cb 0.53 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 2kl3 h SER 53 CO 0.03 0.00 -0.76 -1.28 -0.53 0.00 0.00 176.83 174.29 2kl3 h SER 54 N 0.00 0.00 0.00 6.23 0.87 -1.56 -3.38 113.55 115.70 2kl3 h SER 54 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2kl3 h SER 54 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2kl3 h SER 54 CO -0.00 0.34 0.00 -1.20 -0.53 0.00 0.00 176.83 175.44 2kl3 n SER 55 N -3.00 0.81 -4.15 6.23 7.64 -0.50 -5.06 113.62 115.58 2kl3 n SER 55 Ca -0.01 -1.08 -0.16 0.00 1.01 0.00 0.00 58.87 58.63 2kl3 n SER 55 Cb 0.69 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.78 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 -0.08 2.32 0.18 -3.43 1.43 0.23 -5.04 118.68 114.29 2kl3 s LEU 56 Ca 0.00 -0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 52.32 2kl3 s LEU 56 Cb 0.00 -0.38 -0.07 0.00 0.03 0.00 0.00 46.19 45.78 2kl3 s LEU 56 CO 0.00 -0.17 0.51 -0.70 0.23 0.00 0.00 176.35 176.22 2kl3 s GLU 57 N -2.09 3.82 0.53 1.70 2.56 -1.26 -4.59 118.70 119.37 2kl3 s GLU 57 Ca -0.01 0.27 0.31 0.00 0.00 0.00 0.00 54.97 55.55 2kl3 s GLU 57 Cb -0.07 -2.79 1.42 0.00 2.00 0.00 0.00 34.13 34.69 2kl3 s GLU 57 CO 0.01 0.41 2.02 0.87 -0.56 0.00 0.00 175.26 178.01 2kl3 h LYS 58 N 2.98 0.00 -0.16 4.30 1.79 -1.96 -2.28 116.57 121.24 2kl3 h LYS 58 Ca -0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 2kl3 h LYS 58 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2kl3 h LYS 58 CO 0.68 0.08 0.00 0.43 -1.08 0.00 0.00 179.45 179.57 2kl3 n SER 59 N -3.29 2.31 -4.68 0.86 7.64 -1.26 -0.03 113.62 115.17 2kl3 n SER 59 Ca -0.01 -1.79 -0.43 0.00 1.01 0.00 0.00 58.87 57.66 2kl3 n SER 59 Cb 0.29 -0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.36 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 -1.80 4.38 -0.30 1.43 6.06 -0.86 -4.76 118.95 123.09 2kl3 s ARG 60 Ca 0.34 1.40 -0.28 0.00 -2.50 0.00 0.00 55.73 54.70 2kl3 s ARG 60 Cb 0.20 -3.57 -0.04 0.00 0.06 0.00 0.00 34.95 31.61 2kl3 s ARG 60 CO 0.30 -0.39 2.04 -0.51 -2.50 0.00 0.00 175.30 174.24 2kl3 s ASP 61 N 1.15 5.55 -0.13 -2.12 1.01 -1.26 -4.38 116.67 116.49 2kl3 s ASP 61 Ca 0.48 1.51 -0.01 0.00 0.71 0.00 0.00 52.55 55.24 2kl3 s ASP 61 Cb -0.18 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.21 2kl3 s ASP 61 CO 0.16 -1.94 -0.10 -0.63 0.21 0.00 0.00 175.17 172.86 2kl3 s ILE 62 N 8.04 3.29 -0.29 0.77 1.01 0.59 -0.57 121.20 134.03 2kl3 s ILE 62 Ca 0.90 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 60.89 2kl3 s ILE 62 Cb -0.26 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 2kl3 s ILE 62 CO 0.33 0.52 0.11 -0.31 0.00 0.00 0.00 174.94 175.59 2kl3 s TYR 63 N 0.32 3.14 -0.14 3.97 1.51 0.40 -1.06 117.35 125.49 2kl3 s TYR 63 Ca -0.09 -0.66 -0.05 0.00 -1.01 0.00 0.00 57.07 55.26 2kl3 s TYR 63 Cb -0.15 -2.29 -0.04 0.00 -0.11 0.00 0.00 41.96 39.37 2kl3 s TYR 63 CO 0.05 -0.47 0.04 0.08 -1.11 0.00 0.00 175.55 174.14 2kl3 s VAL 64 N 1.58 4.62 -0.05 0.71 1.01 -0.75 -0.91 120.40 126.60 2kl3 s VAL 64 Ca 0.04 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2kl3 s VAL 64 Cb -0.17 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.21 2kl3 s VAL 64 CO 0.04 0.53 -0.07 -0.72 0.00 0.00 0.00 175.10 174.88 2kl3 s TYR 65 N -0.18 0.99 0.00 5.22 1.13 -0.93 -0.80 117.35 122.78 2kl3 s TYR 65 Ca 0.07 -0.32 0.00 0.00 -1.41 0.00 0.00 57.07 55.40 2kl3 s TYR 65 Cb -0.12 -0.81 0.00 0.00 -1.10 0.00 0.00 41.96 39.93 2kl3 s TYR 65 CO 0.02 -0.22 0.00 0.41 -2.51 0.00 0.00 175.55 173.24 2kl3 n GLY 66 N 3.98 3.27 0.24 5.49 0.00 -1.26 -2.59 105.19 114.32 2kl3 n GLY 66 Ca -0.24 -2.15 -0.16 0.00 0.00 0.00 0.00 46.02 43.47 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 0.67 0.39 -2.49 4.61 0.00 -1.93 -3.39 119.26 117.12 2kl3 h ALA 67 Ca 0.00 -0.55 -0.49 0.00 0.00 0.00 0.00 54.91 53.87 2kl3 h ALA 67 Cb 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 17.61 2kl3 h ALA 67 CO 0.00 0.67 -0.50 0.20 0.00 0.00 0.00 179.25 179.62 2kl3 s GLY 68 N -4.01 2.41 0.21 0.00 0.00 -1.26 -4.87 107.32 99.80 2kl3 s GLY 68 Ca -0.11 -1.79 -0.09 0.00 0.00 0.00 0.00 44.72 42.74 2kl3 s GLY 68 CO 0.90 -1.58 1.84 -0.55 0.00 0.00 0.00 173.10 173.70 2kl3 h ASP 69 N 2.03 0.70 0.16 1.64 3.32 -1.94 -1.48 116.42 120.85 2kl3 h ASP 69 Ca -0.28 0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.78 2kl3 h ASP 69 Cb 1.25 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 2kl3 h ASP 69 CO 0.43 0.47 -0.20 -0.08 -1.72 0.00 0.00 179.24 178.14 2kl3 h GLU 70 N 0.83 -0.40 -0.41 3.56 4.57 -2.00 -1.27 114.58 119.47 2kl3 h GLU 70 Ca 0.30 0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.45 2kl3 h GLU 70 Cb 0.08 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 2kl3 h GLU 70 CO -0.13 -0.26 0.05 0.37 -1.18 0.00 0.00 179.01 177.86 2kl3 h GLN 71 N -0.41 0.69 0.08 1.92 4.15 -1.94 -2.22 115.11 117.38 2kl3 h GLN 71 Ca 0.01 -0.19 0.01 0.00 0.77 0.00 0.00 58.65 59.25 2kl3 h GLN 71 Cb 0.40 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 2kl3 h GLN 71 CO -0.08 0.74 -0.13 1.15 -1.93 0.00 0.00 178.83 178.58 2kl3 h THR 72 N 0.54 0.69 -0.26 2.39 2.02 -1.16 -2.06 112.91 115.07 2kl3 h THR 72 Ca 0.12 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.25 2kl3 h THR 72 Cb 0.39 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 2kl3 h THR 72 CO 0.01 0.00 -0.03 -1.28 0.37 0.00 0.00 175.52 174.59 2kl3 h SER 73 N -0.27 0.48 -0.47 4.18 0.87 -1.20 -2.44 113.55 114.70 2kl3 h SER 73 Ca 0.02 -0.34 -0.04 0.00 -1.23 0.00 0.00 61.79 60.20 2kl3 h SER 73 Cb 0.28 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 2kl3 h SER 73 CO -0.07 0.71 0.15 0.06 -0.53 0.00 0.00 176.83 177.14 2kl3 h GLN 74 N 0.25 0.80 0.03 2.24 3.07 -1.39 0.53 115.11 120.63 2kl3 h GLN 74 Ca 0.07 -0.15 -0.00 0.00 0.09 0.00 0.00 58.65 58.66 2kl3 h GLN 74 Cb 0.48 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 27.91 2kl3 h GLN 74 CO 0.02 0.70 -0.01 0.00 0.09 0.00 0.00 178.83 179.63 2kl3 h ALA 75 N 1.39 -0.04 -0.95 0.06 0.00 -1.30 -1.05 119.26 117.38 2kl3 h ALA 75 Ca 0.18 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.16 2kl3 h ALA 75 Cb 0.25 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 2kl3 h ALA 75 CO -0.01 -0.49 0.58 0.28 0.00 0.00 0.00 179.25 179.61 2kl3 h VAL 76 N -0.10 0.91 -0.38 0.00 2.07 -0.99 -1.06 116.25 116.69 2kl3 h VAL 76 Ca -0.00 -0.32 0.08 0.00 0.82 0.00 0.00 66.70 67.28 2kl3 h VAL 76 Cb 0.09 -0.09 -0.07 0.00 -1.52 0.00 0.00 31.29 29.69 2kl3 h VAL 76 CO 0.01 0.17 -0.11 -1.13 0.02 0.00 0.00 177.57 176.52 2kl3 h ASN 77 N 0.92 -0.40 -0.93 0.57 -1.24 -0.46 -0.37 115.58 113.67 2kl3 h ASN 77 Ca 0.47 0.12 0.03 0.00 0.71 0.00 0.00 56.30 57.63 2kl3 h ASN 77 Cb 0.46 0.25 -0.05 0.00 0.73 0.00 0.00 38.32 39.71 2kl3 h ASN 77 CO -0.27 -0.14 0.60 -0.07 -1.29 0.00 0.00 177.43 176.26 2kl3 h LEU 78 N -0.02 1.01 0.15 0.34 3.38 0.02 0.16 115.31 120.35 2kl3 h LEU 78 Ca 0.18 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2kl3 h LEU 78 Cb 0.30 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2kl3 h LEU 78 CO -0.40 0.69 -0.07 -0.07 0.09 0.00 0.00 178.44 178.68 2kl3 h LEU 79 N 1.17 -0.17 -1.58 1.67 3.38 -0.72 0.94 115.31 120.01 2kl3 h LEU 79 Ca 0.37 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2kl3 h LEU 79 Cb -0.01 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2kl3 h LEU 79 CO -0.12 0.23 0.04 0.08 0.09 0.00 0.00 178.44 178.76 2kl3 h ARG 80 N -0.60 0.31 0.00 1.13 0.11 -0.98 0.65 114.38 114.99 2kl3 h ARG 80 Ca -0.02 -0.04 -0.08 0.00 0.10 0.00 0.00 59.98 59.93 2kl3 h ARG 80 Cb 0.46 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.47 2kl3 h ARG 80 CO 0.03 0.30 -0.40 1.03 0.10 0.00 0.00 179.97 181.03 2kl3 h SER 81 N 0.31 0.00 0.10 0.08 0.87 -0.61 -2.68 113.55 111.61 2kl3 h SER 81 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2kl3 h SER 81 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2kl3 h SER 81 CO -0.00 0.40 0.00 0.00 -0.53 0.00 0.00 176.83 176.70 2kl3 n ALA 82 N -2.34 2.60 0.00 6.23 0.00 0.32 -4.88 120.51 122.43 2kl3 n ALA 82 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2kl3 n ALA 82 Cb 0.50 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 0.96 1.84 3.67 0.00 0.00 -0.93 -5.01 105.19 105.71 2kl3 n GLY 83 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.25 1.58 -0.04 1.61 0.40 -0.71 -4.83 117.98 113.74 2kl3 s PHE 84 Ca 0.00 -0.29 -0.14 0.00 -0.60 0.00 0.00 56.93 55.91 2kl3 s PHE 84 Cb 0.00 -4.20 -0.31 0.00 0.51 0.00 0.00 43.02 39.02 2kl3 s PHE 84 CO 0.00 -5.24 0.72 0.93 0.70 0.00 0.00 175.22 172.33 2kl3 h GLU 85 N 9.96 0.39 -3.57 0.44 4.39 -0.77 -3.35 114.58 122.07 2kl3 h GLU 85 Ca -0.48 -0.67 -0.77 0.00 0.34 0.00 0.00 59.36 57.79 2kl3 h GLU 85 Cb 1.23 0.25 -0.30 0.00 -0.10 0.00 0.00 28.75 29.83 2kl3 h GLU 85 CO 0.94 1.32 0.20 -1.01 -1.16 0.00 0.00 179.01 179.30 2kl3 s HIS 86 N -2.55 4.03 -0.03 4.33 3.76 -1.08 -5.00 115.29 118.75 2kl3 s HIS 86 Ca -0.15 -2.62 0.00 0.00 -0.15 0.00 0.00 55.06 52.14 2kl3 s HIS 86 Cb 0.05 -3.66 0.03 0.00 1.11 0.00 0.00 32.58 30.10 2kl3 s HIS 86 CO 0.85 -0.91 0.01 0.08 -0.85 0.00 0.00 174.74 173.93 2kl3 s VAL 87 N -0.90 0.12 -0.03 -0.90 1.01 -1.26 -0.30 120.40 118.14 2kl3 s VAL 87 Ca 0.26 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.41 2kl3 s VAL 87 Cb -0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 2kl3 s VAL 87 CO -0.09 0.13 -0.17 -0.55 0.00 0.00 0.00 175.10 174.42 2kl3 s SER 88 N 1.04 2.06 -0.17 3.32 0.15 -0.23 -4.84 113.70 115.04 2kl3 s SER 88 Ca -0.10 -0.33 -0.29 0.00 0.70 0.00 0.00 55.95 55.93 2kl3 s SER 88 Cb -0.13 -0.42 -0.00 0.00 -1.71 0.00 0.00 66.02 63.76 2kl3 s SER 88 CO -0.02 0.18 1.07 -1.83 1.20 0.00 0.00 173.24 173.84 2kl3 s GLU 89 N -0.16 4.31 0.01 5.44 1.03 0.49 -1.81 118.70 128.01 2kl3 s GLU 89 Ca 0.01 1.44 -0.30 0.00 0.03 0.00 0.00 54.97 56.14 2kl3 s GLU 89 Cb -0.09 -3.62 -0.04 0.00 -0.80 0.00 0.00 34.13 29.58 2kl3 s GLU 89 CO 0.01 -0.53 1.07 -1.17 -1.33 0.00 0.00 175.26 173.31 2kl3 s LEU 90 N 2.81 4.36 -0.27 1.83 2.96 0.02 -1.29 118.68 129.11 2kl3 s LEU 90 Ca 0.48 1.79 -0.24 0.00 -0.22 0.00 0.00 54.13 55.93 2kl3 s LEU 90 Cb -0.18 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 42.94 2kl3 s LEU 90 CO 0.12 -0.36 0.83 -0.54 -1.32 0.00 0.00 176.35 175.07 2kl3 s LYS 91 N 1.15 4.10 0.00 1.98 -0.14 0.53 -3.95 119.74 123.41 2kl3 s LYS 91 Ca 0.54 0.82 0.00 0.00 -1.36 0.00 0.00 55.97 55.98 2kl3 s LYS 91 Cb -0.24 -3.68 0.00 0.00 -1.68 0.00 0.00 37.83 32.23 2kl3 s LYS 91 CO 0.28 -0.60 0.00 0.41 -0.76 0.00 0.00 175.35 174.68 2kl3 n GLY 92 N 3.92 2.59 7.00 -3.33 0.00 -1.26 -3.34 105.19 110.77 2kl3 n GLY 92 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.74 -0.42 0.18 -0.02 0.00 -1.25 -3.29 105.19 99.65 2kl3 n GLY 93 Ca 0.00 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 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 0.56 -0.76 0.99 5.85 -1.91 -2.80 115.31 117.24 2kl3 h LEU 94 Ca 0.00 -0.38 0.14 0.00 0.84 0.00 0.00 57.88 58.48 2kl3 h LEU 94 Cb 0.00 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 40.78 2kl3 h LEU 94 CO 0.00 0.81 0.32 0.00 -0.34 0.00 0.00 178.44 179.23 2kl3 h ALA 95 N 0.77 1.08 -0.08 1.25 0.00 -1.95 0.18 119.26 120.51 2kl3 h ALA 95 Ca 0.07 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2kl3 h ALA 95 Cb 0.57 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2kl3 h ALA 95 CO 0.03 -0.19 0.04 0.00 0.00 0.00 0.00 179.25 179.12 2kl3 h ALA 96 N 1.54 0.11 -0.99 0.00 0.00 -1.53 0.38 119.26 118.77 2kl3 h ALA 96 Ca 0.42 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.41 2kl3 h ALA 96 Cb 0.62 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 2kl3 h ALA 96 CO -0.39 -0.32 0.62 2.35 0.00 0.00 0.00 179.25 181.51 2kl3 h TRP 97 N -0.01 1.04 0.05 0.00 2.91 -1.05 -1.69 115.95 117.20 2kl3 h TRP 97 Ca 0.03 0.03 -0.23 0.00 1.13 0.00 0.00 58.89 59.85 2kl3 h TRP 97 Cb 0.15 -0.32 -0.00 0.00 -0.51 0.00 0.00 29.16 28.48 2kl3 h TRP 97 CO -0.02 0.31 -1.03 0.87 -1.03 0.00 0.00 178.44 177.53 2kl3 h LYS 98 N 0.81 0.27 -0.43 2.65 1.57 -0.32 0.40 116.57 121.52 2kl3 h LYS 98 Ca 0.54 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 2kl3 h LYS 98 Cb 0.77 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 2kl3 h LYS 98 CO -0.32 1.10 0.10 0.00 -0.57 0.00 0.00 179.45 179.76 2kl3 h ALA 99 N 0.77 1.38 -0.01 3.86 0.00 0.66 -0.99 119.26 124.92 2kl3 h ALA 99 Ca -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2kl3 h ALA 99 Cb 1.71 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2kl3 h ALA 99 CO 0.17 0.45 -0.02 0.44 0.00 0.00 0.00 179.25 180.29 2kl3 n ILE 100 N -4.31 0.00 -1.93 0.00 -5.35 -0.87 -4.92 119.36 101.98 2kl3 n ILE 100 Ca 0.03 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 2kl3 n ILE 100 Cb 0.20 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.05 2kl3 n ILE 100 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kl3 n GLY 101 N 1.11 0.77 3.78 3.28 0.00 -0.38 -5.05 105.19 108.71 2kl3 n GLY 101 Ca 0.20 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.86 2.75 0.12 -0.02 0.00 0.14 -4.98 107.32 102.47 2kl3 s GLY 102 Ca 0.00 0.76 -0.31 0.00 0.00 0.00 0.00 44.72 45.17 2kl3 s GLY 102 CO 0.00 1.20 1.85 -4.14 0.00 0.00 0.00 173.10 172.01 2kl3 s PRO 103 N -2.51 4.13 0.11 2.90 0.02 -1.26 -4.69 135.00 133.71 2kl3 s PRO 103 Ca 0.59 2.61 0.07 0.00 0.02 0.00 0.00 61.00 64.28 2kl3 s PRO 103 Cb -0.24 -3.64 -0.04 0.00 0.02 0.00 0.00 34.50 30.61 2kl3 s PRO 103 CO 0.30 -0.86 -0.16 0.95 -0.33 0.00 0.00 177.00 176.90 2kl3 s THR 104 N 2.88 1.44 0.45 0.99 -4.23 -1.26 -1.94 115.64 113.97 2kl3 s THR 104 Ca 0.82 -1.62 0.05 0.00 -1.18 0.00 0.00 61.69 59.75 2kl3 s THR 104 Cb -0.46 -1.49 -0.05 0.00 1.34 0.00 0.00 72.50 71.84 2kl3 s THR 104 CO 0.37 -0.28 0.01 -1.61 -0.54 0.00 0.00 174.62 172.57 2kl3 s GLU 105 N -2.32 2.06 0.00 3.99 2.02 0.31 -4.74 118.70 120.01 2kl3 s GLU 105 Ca 0.07 -2.23 0.00 0.00 0.02 0.00 0.00 54.97 52.83 2kl3 s GLU 105 Cb -0.07 -1.60 0.00 0.00 0.10 0.00 0.00 34.13 32.56 2kl3 s GLU 105 CO 0.04 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.55 2kl3 n GLY 106 N -1.09 1.80 0.12 -1.39 0.00 -1.26 -0.60 105.19 102.76 2kl3 n GLY 106 Ca -0.11 -1.90 -0.23 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.93 1.52 0.23 -0.61 5.41 0.70 -4.47 119.36 120.21 2kl3 n ILE 107 Ca 0.00 -0.16 0.11 0.00 1.00 0.00 0.00 62.75 63.69 2kl3 n ILE 107 Cb 0.00 -2.02 0.49 0.00 -0.71 0.00 0.00 39.64 37.40 2kl3 n ILE 107 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2kl3 h ILE 108 N -1.00 0.51 0.00 1.39 5.03 -0.80 -2.98 117.51 119.65 2kl3 h ILE 108 Ca -0.46 -1.04 0.00 0.00 -0.12 0.00 0.00 64.86 63.24 2kl3 h ILE 108 Cb 1.37 1.72 0.00 0.00 -3.03 0.00 0.00 36.82 36.88 2kl3 h ILE 108 CO -0.28 0.20 0.13 -0.33 -0.68 0.00 0.00 178.15 177.19 2kl3 h GLU 109 N 0.00 0.00 -0.37 2.37 4.39 -1.63 0.32 114.58 119.66 2kl3 h GLU 109 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kl3 h GLU 109 Cb 0.70 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2kl3 h GLU 109 CO 0.03 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 178.31 2kl3 n SER 110 N -2.29 2.79 -1.62 1.42 7.64 -1.13 -4.97 113.62 115.47 2kl3 n SER 110 Ca -0.01 -1.91 -0.02 0.00 1.01 0.00 0.00 58.87 57.93 2kl3 n SER 110 Cb 0.16 -0.24 -0.01 0.00 -1.01 0.00 0.00 64.21 63.12 2kl3 n SER 110 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2kl3 n ARG 111 N 1.05 0.77 -1.77 1.43 1.85 0.10 -4.95 116.66 115.14 2kl3 n ARG 111 Ca 0.18 -0.32 -0.03 0.00 -1.00 0.00 0.00 57.85 56.68 2kl3 n ARG 111 Cb 0.49 0.19 -0.01 0.00 -1.05 0.00 0.00 32.46 32.08 2kl3 n ARG 111 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2kl3 n THR 112 N -0.08 -0.10 -2.38 8.89 -1.04 -1.26 -5.03 114.28 113.27 2kl3 n THR 112 Ca -0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.59 2kl3 n THR 112 Cb 0.06 -0.83 -0.03 0.00 -1.82 0.00 0.00 70.33 67.70 2kl3 n THR 112 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2kl3 s PRO 113 N -3.59 4.49 0.32 -2.82 0.04 -1.26 -5.03 135.00 127.15 2kl3 s PRO 113 Ca 0.00 1.87 -0.18 0.00 0.04 0.00 0.00 61.00 62.73 2kl3 s PRO 113 Cb 0.00 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 31.32 2kl3 s PRO 113 CO 0.00 -0.10 0.71 0.00 0.04 0.00 0.00 177.00 177.65 2kl3 s ALA 114 N 0.02 -0.88 0.00 8.56 0.00 -1.26 -5.14 121.76 123.06 2kl3 s ALA 114 Ca 0.53 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.92 2kl3 s ALA 114 Cb -0.32 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.62 2kl3 s ALA 114 CO 0.36 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.54 2kl3 n GLY 115 N -0.48 1.13 2.70 0.00 0.00 -1.26 -5.15 105.19 102.13 2kl3 n GLY 115 Ca -0.05 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 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 0.72 0.86 4.61 0.00 -1.26 -5.15 121.76 121.53 2kl3 s ALA 116 Ca 0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 51.96 51.44 2kl3 s ALA 116 Cb 0.00 -1.00 0.13 0.00 0.00 0.00 0.00 23.12 22.25 2kl3 s ALA 116 CO 0.00 -0.97 1.21 0.16 0.00 0.00 0.00 175.76 176.16 2kl3 s ASP 117 N 1.99 3.96 0.27 0.00 -4.77 -1.26 -5.12 116.67 111.74 2kl3 s ASP 117 Ca 0.02 0.49 -0.07 0.00 -3.30 0.00 0.00 52.55 49.68 2kl3 s ASP 117 Cb -0.15 -0.80 -0.01 0.00 -1.09 0.00 0.00 42.92 40.87 2kl3 s ASP 117 CO -0.07 -2.21 0.42 1.51 0.70 0.00 0.00 175.17 175.51 2kl3 s ASP 118 N -4.71 0.32 -0.03 2.11 -4.77 -1.26 -5.17 116.67 103.16 2kl3 s ASP 118 Ca 0.67 -1.22 -0.01 0.00 -3.30 0.00 0.00 52.55 48.70 2kl3 s ASP 118 Cb -0.08 0.58 0.03 0.00 -1.09 0.00 0.00 42.92 42.36 2kl3 s ASP 118 CO 0.50 -1.15 0.04 -0.47 0.70 0.00 0.00 175.17 174.80 2kl3 s TYR 119 N -3.68 0.02 -0.87 2.11 5.04 -1.26 -5.09 117.35 113.62 2kl3 s TYR 119 Ca 0.28 0.18 -0.25 0.00 -2.44 0.00 0.00 57.07 54.85 2kl3 s TYR 119 Cb 0.01 -0.28 0.01 0.00 0.35 0.00 0.00 41.96 42.04 2kl3 s TYR 119 CO 0.14 -0.12 1.64 -0.80 -1.34 0.00 0.00 175.55 175.07 2kl3 s ASN 120 N 1.33 5.83 -0.48 4.32 0.01 -1.26 -4.94 114.94 119.74 2kl3 s ASN 120 Ca -0.06 -0.75 -0.27 0.00 -0.71 0.00 0.00 52.86 51.07 2kl3 s ASN 120 Cb -0.13 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 38.95 2kl3 s ASN 120 CO -0.03 -2.08 1.89 0.68 -1.51 0.00 0.00 177.10 176.04 2kl3 s VAL 121 N 7.32 3.37 -0.26 1.60 -7.23 -1.26 -4.92 120.40 119.02 2kl3 s VAL 121 Ca 0.55 0.30 -0.03 0.00 -1.81 0.00 0.00 61.98 60.99 2kl3 s VAL 121 Cb -0.05 -3.73 0.15 0.00 0.56 0.00 0.00 36.38 33.30 2kl3 s VAL 121 CO 0.02 -0.62 0.46 0.54 -0.31 0.00 0.00 175.10 175.19 2kl3 s VAL 122 N 8.50 -0.74 -0.28 1.32 0.11 -1.26 -5.12 120.40 122.92 2kl3 s VAL 122 Ca 0.75 -0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.79 2kl3 s VAL 122 Cb -0.17 -0.86 0.17 0.00 -1.53 0.00 0.00 36.38 33.99 2kl3 s VAL 122 CO 0.26 -0.06 0.48 -0.55 -3.33 0.00 0.00 175.10 171.90 2kl3 s SER 123 N 2.66 -0.46 -0.06 3.54 0.15 -1.26 -5.14 113.70 113.14 2kl3 s SER 123 Ca 0.13 0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.92 2kl3 s SER 123 Cb -0.15 1.53 0.03 0.00 -1.71 0.00 0.00 66.02 65.72 2kl3 s SER 123 CO -0.17 -0.31 -0.00 -0.60 1.20 0.00 0.00 173.24 173.36 2kl3 s ARG 124 N 2.67 0.53 0.03 5.44 3.00 -1.26 -5.14 118.95 124.22 2kl3 s ARG 124 Ca 0.13 0.10 -0.08 0.00 -1.00 0.00 0.00 55.73 54.87 2kl3 s ARG 124 Cb -0.13 -0.82 0.00 0.00 0.00 0.00 0.00 34.95 34.00 2kl3 s ARG 124 CO -0.24 -0.24 0.17 -0.48 0.00 0.00 0.00 175.30 174.51 2kl3 s LEU 125 N 1.66 1.47 -0.03 -0.88 -0.00 -1.26 -5.17 118.68 114.48 2kl3 s LEU 125 Ca -0.00 -0.38 0.01 0.00 -0.00 0.00 0.00 54.13 53.76 2kl3 s LEU 125 Cb -0.13 0.85 0.02 0.00 -0.00 0.00 0.00 46.19 46.94 2kl3 s LEU 125 CO -0.04 -0.52 -0.01 -0.70 -0.00 0.00 0.00 176.35 175.08 2kl3 s GLU 126 N -2.42 0.37 -0.18 1.48 2.12 -1.26 -5.14 118.70 113.68 2kl3 s GLU 126 Ca -0.06 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.29 2kl3 s GLU 126 Cb -0.02 -0.50 0.04 0.00 0.26 0.00 0.00 34.13 33.91 2kl3 s GLU 126 CO -0.03 -0.10 -0.08 -3.38 -0.54 0.00 0.00 175.26 171.13 2kl3 s HIS 127 N 0.84 2.01 -0.05 5.30 -3.43 -1.26 -5.12 115.29 113.59 2kl3 s HIS 127 Ca -0.09 -1.29 -0.02 0.00 -0.80 0.00 0.00 55.06 52.86 2kl3 s HIS 127 Cb -0.12 -1.46 0.04 0.00 -1.43 0.00 0.00 32.58 29.61 2kl3 s HIS 127 CO -0.01 -0.67 0.09 -1.58 -2.00 0.00 0.00 174.74 170.57 2kl3 s HIS 128 N 1.53 -0.07 -0.30 0.38 5.04 -1.26 -5.13 115.29 115.49 2kl3 s HIS 128 Ca 0.00 0.34 -0.13 0.00 -1.54 0.00 0.00 55.06 53.73 2kl3 s HIS 128 Cb -0.15 -0.21 0.13 0.00 0.04 0.00 0.00 32.58 32.39 2kl3 s HIS 128 CO -0.08 -0.15 0.78 -3.38 -2.34 0.00 0.00 174.74 169.57 2kl3 s HIS 129 N 1.39 -1.05 0.00 3.88 -3.43 -1.26 -5.06 115.29 109.76 2kl3 s HIS 129 Ca -0.06 1.88 0.10 0.00 -0.80 0.00 0.00 55.06 56.18 2kl3 s HIS 129 Cb -0.12 0.63 0.16 0.00 -1.43 0.00 0.00 32.58 31.82 2kl3 s HIS 129 CO -0.04 -0.52 1.00 1.58 -2.00 0.00 0.00 174.74 174.75 2kl3 n HIS 130 N 5.00 0.00 -2.64 0.38 -0.00 -1.26 -5.09 115.22 111.60 2kl3 n HIS 130 Ca -0.13 -0.35 -0.43 0.00 -0.00 0.00 0.00 57.72 56.81 2kl3 n HIS 130 Cb 0.52 0.13 -0.02 0.00 -0.00 0.00 0.00 29.99 30.62 2kl3 n HIS 130 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kl3 s HIS 131 N 0.00 3.20 0.00 1.57 -3.43 -1.26 -5.41 115.29 109.96 2kl3 s HIS 131 Ca 0.13 1.28 0.00 0.00 -0.80 0.00 0.00 55.06 55.67 2kl3 s HIS 131 Cb 0.15 -3.57 0.00 0.00 -1.43 0.00 0.00 32.58 27.73 2kl3 s HIS 131 CO -0.07 -0.68 0.00 1.58 -2.00 0.00 0.00 174.74 173.57