#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 3.90 0.06 3.17 1.03 -1.26 -4.97 118.70 120.63 2kl3 s GLU 2 Ca 0.00 2.15 -0.36 0.00 0.03 0.00 0.00 54.97 56.79 2kl3 s GLU 2 Cb 0.00 -2.71 -0.20 0.00 -0.80 0.00 0.00 34.13 30.42 2kl3 s GLU 2 CO 0.00 -0.55 1.55 -1.35 -1.33 0.00 0.00 175.26 173.58 2kl3 h PRO 3 N 2.56 -1.25 -4.75 -4.83 0.11 -1.95 -3.41 132.00 118.49 2kl3 h PRO 3 Ca -0.50 0.09 -0.69 0.00 0.11 0.00 0.00 66.00 65.01 2kl3 h PRO 3 Cb 1.25 0.28 -0.30 0.00 0.11 0.00 0.00 31.00 32.34 2kl3 h PRO 3 CO 0.62 -0.83 -0.66 -0.65 -0.21 0.00 0.00 178.00 176.27 2kl3 s GLN 4 N -5.86 2.61 -0.01 1.05 -0.21 -1.26 -2.14 119.66 113.84 2kl3 s GLN 4 Ca -0.19 -1.16 -0.17 0.00 0.02 0.00 0.00 55.36 53.86 2kl3 s GLN 4 Cb 0.02 -3.29 -0.06 0.00 1.00 0.00 0.00 33.01 30.68 2kl3 s GLN 4 CO 0.57 -0.60 0.46 -1.54 -2.12 0.00 0.00 175.29 172.06 2kl3 s SER 5 N 1.34 6.84 0.46 5.90 1.04 -0.24 -4.91 113.70 124.13 2kl3 s SER 5 Ca -0.03 1.00 -0.11 0.00 0.48 0.00 0.00 55.95 57.30 2kl3 s SER 5 Cb -0.19 -2.28 -0.06 0.00 0.10 0.00 0.00 66.02 63.59 2kl3 s SER 5 CO 0.00 0.25 0.84 -0.62 0.98 0.00 0.00 173.24 174.69 2kl3 s ASP 6 N -0.73 6.46 0.14 7.02 -1.08 -1.26 -0.14 116.67 127.08 2kl3 s ASP 6 Ca 0.25 1.20 -0.21 0.00 -0.52 0.00 0.00 52.55 53.27 2kl3 s ASP 6 Cb -0.17 -2.36 -0.00 0.00 -1.46 0.00 0.00 42.92 38.93 2kl3 s ASP 6 CO 0.14 -0.51 1.68 0.00 0.52 0.00 0.00 175.17 176.99 2kl3 h ALA 7 N 0.85 0.03 0.00 3.66 0.00 -1.95 -0.38 119.26 121.47 2kl3 h ALA 7 Ca -0.47 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 2kl3 h ALA 7 Cb 1.19 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2kl3 h ALA 7 CO 0.63 -0.55 -0.40 1.12 0.00 0.00 0.00 179.25 180.04 2kl3 h HIS 8 N -0.12 0.00 0.04 0.00 2.07 -1.94 0.64 115.15 115.85 2kl3 h HIS 8 Ca 0.11 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.63 2kl3 h HIS 8 Cb 0.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.26 2kl3 h HIS 8 CO -0.27 0.40 -0.02 0.28 -3.07 0.00 0.00 177.93 175.25 2kl3 h VAL 9 N 0.00 0.99 -0.23 6.12 2.07 -1.80 0.27 116.25 123.67 2kl3 h VAL 9 Ca -0.00 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 2kl3 h VAL 9 Cb 1.02 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2kl3 h VAL 9 CO 0.05 0.02 0.06 0.25 0.02 0.00 0.00 177.57 177.98 2kl3 h LEU 10 N -0.09 0.34 -0.34 2.57 5.85 -0.93 -2.65 115.31 120.06 2kl3 h LEU 10 Ca -0.01 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.55 2kl3 h LEU 10 Cb 0.08 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 2kl3 h LEU 10 CO 0.01 0.47 0.05 0.50 -0.34 0.00 0.00 178.44 179.14 2kl3 h LYS 11 N 0.20 0.16 -0.39 1.25 3.64 -0.83 0.30 116.57 120.90 2kl3 h LYS 11 Ca 0.07 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2kl3 h LYS 11 Cb 0.26 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2kl3 h LYS 11 CO -0.00 0.11 0.12 0.66 -2.27 0.00 0.00 179.45 178.07 2kl3 h SER 12 N 0.17 0.51 0.42 4.20 4.64 -0.93 -1.12 113.55 121.45 2kl3 h SER 12 Ca 0.16 -0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 61.24 2kl3 h SER 12 Cb 0.19 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 2kl3 h SER 12 CO -0.22 0.50 -0.74 0.03 -0.87 0.00 0.00 176.83 175.52 2kl3 h ARG 13 N 0.56 0.26 -0.33 4.77 3.08 -1.01 0.58 114.38 122.28 2kl3 h ARG 13 Ca 0.13 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 2kl3 h ARG 13 Cb 0.17 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2kl3 h ARG 13 CO -0.01 0.89 0.03 1.25 -1.07 0.00 0.00 179.97 181.06 2kl3 h LEU 14 N 0.17 0.55 0.00 3.04 5.85 -0.31 -0.85 115.31 123.76 2kl3 h LEU 14 Ca -0.03 -0.28 -0.13 0.00 0.84 0.00 0.00 57.88 58.28 2kl3 h LEU 14 Cb 1.31 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 2kl3 h LEU 14 CO 0.12 0.70 -0.82 -0.33 -0.34 0.00 0.00 178.44 177.77 2kl3 h GLU 15 N 0.39 0.00 0.02 1.25 5.08 -1.26 -3.38 114.58 116.67 2kl3 h GLU 15 Ca 0.10 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.08 2kl3 h GLU 15 Cb 0.40 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 2kl3 h GLU 15 CO 0.01 0.73 -2.34 0.91 -1.00 0.00 0.00 179.01 177.32 2kl3 n TRP 16 N -4.52 0.24 0.00 4.33 7.02 0.16 -4.96 117.44 119.71 2kl3 n TRP 16 Ca -0.21 0.06 0.00 0.00 -1.02 0.00 0.00 57.50 56.33 2kl3 n TRP 16 Cb 0.52 -1.03 0.00 0.00 -2.42 0.00 0.00 31.31 28.37 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 2.06 0.17 3.20 6.99 0.00 0.11 -4.94 105.19 112.78 2kl3 n GLY 17 Ca -0.39 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 2.46 0.00 1.61 2.02 -0.39 -4.88 118.70 119.53 2kl3 s GLU 18 Ca 0.00 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.71 2kl3 s GLU 18 Cb 0.00 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.92 2kl3 s GLU 18 CO 0.00 -0.67 0.49 -0.35 0.02 0.00 0.00 175.26 174.75 2kl3 n PRO 19 N 4.69 0.65 -0.05 0.39 -0.04 -1.21 -3.84 135.00 135.59 2kl3 n PRO 19 Ca -0.12 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.42 2kl3 n PRO 19 Cb 0.44 -1.16 0.35 0.00 -0.04 0.00 0.00 33.50 33.09 2kl3 n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kl3 n ALA 20 N -0.17 2.54 -2.58 0.55 0.00 -1.26 -4.85 120.51 114.74 2kl3 n ALA 20 Ca 0.00 -0.29 -0.25 0.00 0.00 0.00 0.00 53.44 52.90 2kl3 n ALA 20 Cb 0.08 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 2kl3 n ALA 20 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2kl3 s PHE 21 N -1.87 3.50 -0.06 0.00 -0.12 -1.25 -4.86 117.98 113.32 2kl3 s PHE 21 Ca 0.24 0.47 -0.03 0.00 -0.05 0.00 0.00 56.93 57.56 2kl3 s PHE 21 Cb 0.12 -1.99 -0.04 0.00 -0.63 0.00 0.00 43.02 40.48 2kl3 s PHE 21 CO 0.18 0.08 0.09 -0.08 -0.05 0.00 0.00 175.22 175.45 2kl3 s THR 22 N -2.32 4.93 -0.22 -4.49 -1.32 -0.48 -5.00 115.64 106.74 2kl3 s THR 22 Ca 0.42 -0.15 -0.03 0.00 -1.21 0.00 0.00 61.69 60.72 2kl3 s THR 22 Cb -0.10 -3.18 0.00 0.00 -1.51 0.00 0.00 72.50 67.71 2kl3 s THR 22 CO 0.36 0.50 -0.06 -0.63 -2.21 0.00 0.00 174.62 172.58 2kl3 s ILE 23 N -1.07 3.18 -0.22 5.08 1.01 -1.26 -0.39 121.20 127.53 2kl3 s ILE 23 Ca 0.18 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 2kl3 s ILE 23 Cb -0.12 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 2kl3 s ILE 23 CO 0.08 0.39 0.04 -0.76 0.00 0.00 0.00 174.94 174.69 2kl3 s LEU 24 N 1.44 3.45 -0.20 2.97 1.43 0.35 -0.31 118.68 127.80 2kl3 s LEU 24 Ca 0.05 -0.15 -0.26 0.00 -1.03 0.00 0.00 54.13 52.74 2kl3 s LEU 24 Cb -0.15 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 2kl3 s LEU 24 CO -0.04 0.04 0.86 -0.62 0.23 0.00 0.00 176.35 176.82 2kl3 s ASP 25 N 1.16 6.93 -0.12 2.29 2.15 -0.91 -1.39 116.67 126.78 2kl3 s ASP 25 Ca 0.04 1.16 0.15 0.00 0.43 0.00 0.00 52.55 54.32 2kl3 s ASP 25 Cb -0.14 -2.46 0.36 0.00 -0.30 0.00 0.00 42.92 40.37 2kl3 s ASP 25 CO 0.03 -0.48 1.26 1.33 -0.17 0.00 0.00 175.17 177.14 2kl3 n VAL 26 N 5.00 1.83 0.01 1.11 0.24 -1.03 -2.11 118.33 123.38 2kl3 n VAL 26 Ca 0.06 -1.78 -0.00 0.00 -2.04 0.00 0.00 64.34 60.57 2kl3 n VAL 26 Cb 0.48 -0.06 -0.00 0.00 -1.47 0.00 0.00 33.84 32.79 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 1.02 -0.02 -1.48 7.34 3.08 -1.84 -2.12 114.38 120.36 2kl3 h ARG 27 Ca 0.00 0.00 0.22 0.00 0.07 0.00 0.00 59.98 60.27 2kl3 h ARG 27 Cb 1.09 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.94 2kl3 h ARG 27 CO 0.09 -0.01 0.78 0.34 -1.07 0.00 0.00 179.97 180.10 2kl3 s ASP 28 N -2.69 -0.16 0.19 7.04 2.15 -1.26 -4.46 116.67 117.47 2kl3 s ASP 28 Ca -0.00 0.05 -0.14 0.00 0.43 0.00 0.00 52.55 52.89 2kl3 s ASP 28 Cb 0.00 0.16 0.19 0.00 -0.30 0.00 0.00 42.92 42.97 2kl3 s ASP 28 CO 0.01 -0.24 1.66 -0.09 -0.17 0.00 0.00 175.17 176.34 2kl3 h ARG 29 N 2.07 0.04 -0.34 4.34 9.65 -1.95 0.11 114.38 128.30 2kl3 h ARG 29 Ca -0.11 -0.00 -0.17 0.00 -1.10 0.00 0.00 59.98 58.60 2kl3 h ARG 29 Cb 1.17 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.74 2kl3 h ARG 29 CO 0.24 0.03 -0.44 0.66 2.80 0.00 0.00 179.97 183.25 2kl3 h SER 30 N 0.04 0.97 0.28 -3.80 4.64 -1.99 -2.85 113.55 110.84 2kl3 h SER 30 Ca 0.26 -0.47 -0.09 0.00 -0.47 0.00 0.00 61.79 61.02 2kl3 h SER 30 Cb 0.40 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2kl3 h SER 30 CO -0.51 1.26 -0.36 0.74 -0.87 0.00 0.00 176.83 177.09 2kl3 h THR 31 N 0.71 1.28 0.30 2.95 2.02 -1.79 0.16 112.91 118.54 2kl3 h THR 31 Ca 0.04 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 65.88 2kl3 h THR 31 Cb 1.04 1.64 -0.00 0.00 -1.74 0.00 0.00 68.15 69.08 2kl3 h THR 31 CO 0.10 0.39 -0.17 0.22 0.37 0.00 0.00 175.52 176.44 2kl3 h TYR 32 N 0.11 -0.44 -0.54 3.16 3.20 -0.69 -0.15 116.97 121.62 2kl3 h TYR 32 Ca 0.01 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2kl3 h TYR 32 Cb 0.69 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 2kl3 h TYR 32 CO 0.01 -0.27 0.28 -0.91 -1.64 0.00 0.00 178.16 175.63 2kl3 h ASN 33 N -0.44 0.66 -0.22 -2.11 2.35 -1.23 -2.78 115.58 111.81 2kl3 h ASN 33 Ca -0.03 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 2kl3 h ASN 33 Cb 0.36 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2kl3 h ASN 33 CO 0.04 0.55 0.07 -0.78 -1.65 0.00 0.00 177.43 175.66 2kl3 h ASP 34 N 0.75 0.32 -3.60 5.81 1.82 -0.50 0.52 116.42 121.53 2kl3 h ASP 34 Ca 0.19 -0.19 0.12 0.00 -0.39 0.00 0.00 57.03 56.76 2kl3 h ASP 34 Cb 0.04 -0.08 -0.25 0.00 0.68 0.00 0.00 39.33 39.72 2kl3 h ASP 34 CO -0.03 0.43 0.64 -0.83 -1.61 0.00 0.00 179.24 177.84 2kl3 s GLY 35 N -2.82 -0.13 0.17 -0.78 0.00 -0.09 -2.16 107.32 101.53 2kl3 s GLY 35 Ca -0.14 2.42 -0.23 0.00 0.00 0.00 0.00 44.72 46.77 2kl3 s GLY 35 CO 0.72 1.26 0.65 -2.38 0.00 0.00 0.00 173.10 173.34 2kl3 s HIS 36 N -0.77 -0.46 0.37 1.90 -3.43 0.17 -4.21 115.29 108.87 2kl3 s HIS 36 Ca 0.02 0.20 -0.28 0.00 -0.80 0.00 0.00 55.06 54.20 2kl3 s HIS 36 Cb -0.02 0.59 -0.11 0.00 -1.43 0.00 0.00 32.58 31.62 2kl3 s HIS 36 CO -0.03 -0.90 1.42 0.42 -2.00 0.00 0.00 174.74 173.65 2kl3 s ILE 37 N -3.73 2.27 0.06 -5.38 1.01 -1.26 -0.25 121.20 113.91 2kl3 s ILE 37 Ca 0.03 0.27 -0.32 0.00 0.00 0.00 0.00 60.65 60.63 2kl3 s ILE 37 Cb -0.02 -3.17 -0.11 0.00 0.01 0.00 0.00 42.46 39.17 2kl3 s ILE 37 CO -0.09 0.06 1.84 0.80 0.00 0.00 0.00 174.94 177.56 2kl3 n MET 38 N 0.50 2.58 -1.18 2.79 0.00 -0.41 -1.30 117.12 120.11 2kl3 n MET 38 Ca 0.01 0.94 -0.04 0.00 -0.00 0.00 0.00 57.70 58.61 2kl3 n MET 38 Cb 0.40 -2.82 -0.01 0.00 0.00 0.00 0.00 33.22 30.79 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 4.23 0.63 3.90 -5.12 0.00 -1.26 -4.99 105.19 102.58 2kl3 n GLY 39 Ca 0.19 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.14 3.32 0.25 4.61 0.00 -0.42 -4.70 121.76 122.67 2kl3 s ALA 40 Ca 0.00 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.54 2kl3 s ALA 40 Cb 0.00 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 2kl3 s ALA 40 CO 0.00 -0.51 0.39 -1.64 0.00 0.00 0.00 175.76 174.00 2kl3 s MET 41 N -4.88 3.46 -0.59 0.00 -1.94 0.58 -4.98 119.30 110.94 2kl3 s MET 41 Ca 0.50 -0.62 -0.14 0.00 -1.71 0.00 0.00 55.69 53.73 2kl3 s MET 41 Cb -0.10 -2.85 0.15 0.00 2.01 0.00 0.00 34.83 34.03 2kl3 s MET 41 CO 0.47 0.38 0.52 0.00 -0.01 0.00 0.00 175.02 176.38 2kl3 s ALA 42 N -2.01 3.68 -0.40 3.03 0.00 -1.26 -2.15 121.76 122.65 2kl3 s ALA 42 Ca 0.36 -2.72 0.03 0.00 0.00 0.00 0.00 51.96 49.63 2kl3 s ALA 42 Cb -0.10 -3.21 0.16 0.00 0.00 0.00 0.00 23.12 19.98 2kl3 s ALA 42 CO 0.30 -2.05 0.31 -1.64 0.00 0.00 0.00 175.76 172.68 2kl3 s MET 43 N 1.21 0.86 0.37 0.00 -1.94 -0.89 -4.99 119.30 113.92 2kl3 s MET 43 Ca 0.07 -1.95 -0.27 0.00 -1.71 0.00 0.00 55.69 51.84 2kl3 s MET 43 Cb -0.25 -1.44 -0.09 0.00 2.01 0.00 0.00 34.83 35.06 2kl3 s MET 43 CO -0.00 -1.34 1.23 -1.25 -0.01 0.00 0.00 175.02 173.65 2kl3 s PRO 44 N 0.27 4.15 0.55 2.03 0.04 -1.21 -3.72 135.00 137.11 2kl3 s PRO 44 Ca 0.29 2.01 0.37 0.00 0.04 0.00 0.00 61.00 63.71 2kl3 s PRO 44 Cb -0.03 -2.84 1.54 0.00 0.04 0.00 0.00 34.50 33.21 2kl3 s PRO 44 CO -0.15 -0.29 1.77 0.97 0.04 0.00 0.00 177.00 179.34 2kl3 h ILE 45 N 2.60 0.35 0.00 0.56 2.10 -1.60 0.88 117.51 122.40 2kl3 h ILE 45 Ca -0.49 0.00 -0.25 0.00 1.08 0.00 0.00 64.86 65.20 2kl3 h ILE 45 Cb 1.23 0.36 -0.04 0.00 -1.09 0.00 0.00 36.82 37.29 2kl3 h ILE 45 CO 0.64 0.00 -1.47 1.05 -1.08 0.00 0.00 178.15 177.29 2kl3 h GLU 46 N 0.00 0.00 -0.01 2.19 -0.00 -1.89 -3.32 114.58 111.55 2kl3 h GLU 46 Ca 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.93 2kl3 h GLU 46 Cb 2.37 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 31.12 2kl3 h GLU 46 CO -0.01 0.59 -0.46 -3.47 -0.00 0.00 0.00 179.01 175.66 2kl3 n ASP 47 N -3.10 1.39 0.06 3.06 2.03 0.17 -4.69 116.55 115.47 2kl3 n ASP 47 Ca -0.11 -1.10 -0.09 0.00 0.52 0.00 0.00 54.79 54.00 2kl3 n ASP 47 Cb 0.99 0.39 -0.06 0.00 -0.72 0.00 0.00 41.12 41.72 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 1.46 -0.91 -0.30 -2.67 5.85 0.37 -0.94 115.31 118.17 2kl3 h LEU 48 Ca 0.00 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.89 2kl3 h LEU 48 Cb 0.61 0.34 -0.08 0.00 0.37 0.00 0.00 40.66 41.90 2kl3 h LEU 48 CO 0.00 -0.31 -0.24 0.58 -0.34 0.00 0.00 178.44 178.13 2kl3 h VAL 49 N -0.42 0.38 -0.10 1.05 2.07 -1.83 0.14 116.25 117.53 2kl3 h VAL 49 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2kl3 h VAL 49 Cb 0.43 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2kl3 h VAL 49 CO -0.17 0.00 0.07 -0.78 0.02 0.00 0.00 177.57 176.71 2kl3 h ASP 50 N -0.22 0.12 0.00 0.57 3.58 -1.89 0.36 116.42 118.94 2kl3 h ASP 50 Ca 0.16 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.63 2kl3 h ASP 50 Cb 0.46 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.43 2kl3 h ASP 50 CO -0.43 0.09 -0.33 0.03 -2.88 0.00 0.00 179.24 175.72 2kl3 h ARG 51 N 0.14 -0.47 -0.86 0.28 2.47 -0.36 -0.88 114.38 114.69 2kl3 h ARG 51 Ca 0.04 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.78 2kl3 h ARG 51 Cb -0.01 0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 28.37 2kl3 h ARG 51 CO -0.01 -0.31 0.49 0.00 0.56 0.00 0.00 179.97 180.70 2kl3 h ALA 52 N 0.23 1.10 0.00 0.04 0.00 -0.69 0.56 119.26 120.50 2kl3 h ALA 52 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2kl3 h ALA 52 Cb 0.57 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2kl3 h ALA 52 CO -0.27 0.60 0.00 1.03 0.00 0.00 0.00 179.25 180.61 2kl3 h SER 53 N 1.20 0.00 0.03 0.00 0.87 -0.47 0.18 113.55 115.35 2kl3 h SER 53 Ca 0.31 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.50 2kl3 h SER 53 Cb 0.01 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.92 2kl3 h SER 53 CO -0.05 0.00 -2.06 -0.24 -0.53 0.00 0.00 176.83 173.95 2kl3 n SER 54 N -3.00 1.97 -0.01 6.23 2.88 -0.38 -4.73 113.62 116.58 2kl3 n SER 54 Ca -0.01 0.24 -0.21 0.00 -1.33 0.00 0.00 58.87 57.55 2kl3 n SER 54 Cb 0.17 -0.79 -0.14 0.00 -0.75 0.00 0.00 64.21 62.71 2kl3 n SER 54 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2kl3 n SER 55 N -3.94 2.11 -4.78 -3.46 7.64 0.10 -4.99 113.62 106.30 2kl3 n SER 55 Ca -0.42 0.16 -0.26 0.00 1.01 0.00 0.00 58.87 59.37 2kl3 n SER 55 Cb 0.89 -0.81 -0.06 0.00 -1.01 0.00 0.00 64.21 63.22 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 -6.98 3.74 0.85 -3.43 1.43 0.61 -5.06 118.68 109.83 2kl3 s LEU 56 Ca -0.24 -0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 52.60 2kl3 s LEU 56 Cb 0.07 -2.34 0.18 0.00 0.03 0.00 0.00 46.19 44.13 2kl3 s LEU 56 CO 0.75 0.05 1.16 -1.61 0.23 0.00 0.00 176.35 176.93 2kl3 s GLU 57 N -3.21 1.03 -0.02 1.70 8.01 -1.26 -4.46 118.70 120.49 2kl3 s GLU 57 Ca 0.31 -0.97 0.02 0.00 0.01 0.00 0.00 54.97 54.35 2kl3 s GLU 57 Cb -0.10 -2.12 -0.25 0.00 -4.31 0.00 0.00 34.13 27.35 2kl3 s GLU 57 CO 0.23 -2.00 0.74 0.87 0.01 0.00 0.00 175.26 175.12 2kl3 h LYS 58 N -1.08 0.15 -0.00 1.61 1.79 -1.93 -3.28 116.57 113.82 2kl3 h LYS 58 Ca -0.38 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 57.84 2kl3 h LYS 58 Cb 1.24 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 2kl3 h LYS 58 CO 0.35 0.92 -0.07 -1.13 -1.08 0.00 0.00 179.45 178.43 2kl3 n SER 59 N -3.31 0.50 -4.71 0.86 3.41 -1.26 0.69 113.62 109.79 2kl3 n SER 59 Ca -0.18 -0.73 -0.42 0.00 -0.26 0.00 0.00 58.87 57.28 2kl3 n SER 59 Cb 1.04 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.90 2kl3 n SER 59 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2kl3 s ARG 60 N -2.34 4.27 -0.42 4.33 6.06 -1.24 -4.64 118.95 124.97 2kl3 s ARG 60 Ca 0.33 2.17 -0.28 0.00 -2.50 0.00 0.00 55.73 55.45 2kl3 s ARG 60 Cb 0.20 -3.33 -0.02 0.00 0.06 0.00 0.00 34.95 31.87 2kl3 s ARG 60 CO 0.44 -0.55 1.77 -0.51 -2.50 0.00 0.00 175.30 173.95 2kl3 s ASP 61 N 1.44 5.78 -0.16 -2.12 1.01 -1.26 -4.20 116.67 117.16 2kl3 s ASP 61 Ca 0.67 0.98 -0.00 0.00 0.71 0.00 0.00 52.55 54.91 2kl3 s ASP 61 Cb -0.38 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.01 2kl3 s ASP 61 CO 0.30 -1.86 -0.13 -0.63 0.21 0.00 0.00 175.17 173.06 2kl3 s ILE 62 N 7.31 2.88 -0.20 0.77 1.01 0.52 -1.38 121.20 132.11 2kl3 s ILE 62 Ca 0.74 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 60.66 2kl3 s ILE 62 Cb -0.19 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 2kl3 s ILE 62 CO 0.30 0.51 -0.07 -0.31 0.00 0.00 0.00 174.94 175.37 2kl3 s TYR 63 N 0.76 2.93 -0.04 3.97 1.51 0.47 -0.55 117.35 126.40 2kl3 s TYR 63 Ca -0.05 -0.92 0.02 0.00 -1.01 0.00 0.00 57.07 55.11 2kl3 s TYR 63 Cb -0.15 -2.05 -0.03 0.00 -0.11 0.00 0.00 41.96 39.62 2kl3 s TYR 63 CO 0.01 -0.49 -0.09 0.08 -1.11 0.00 0.00 175.55 173.95 2kl3 s VAL 64 N 1.25 3.54 -0.03 0.71 1.01 -0.64 -0.50 120.40 125.75 2kl3 s VAL 64 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.38 2kl3 s VAL 64 Cb -0.14 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 33.80 2kl3 s VAL 64 CO -0.02 0.53 0.01 -0.72 0.00 0.00 0.00 175.10 174.90 2kl3 s TYR 65 N -0.85 0.20 0.00 5.22 1.13 -0.49 -1.44 117.35 121.12 2kl3 s TYR 65 Ca 0.14 0.05 0.00 0.00 -1.41 0.00 0.00 57.07 55.85 2kl3 s TYR 65 Cb -0.11 -0.34 0.00 0.00 -1.10 0.00 0.00 41.96 40.41 2kl3 s TYR 65 CO 0.03 -0.11 0.00 0.41 -2.51 0.00 0.00 175.55 173.37 2kl3 n GLY 66 N 4.14 3.21 0.07 5.49 0.00 -1.26 -2.47 105.19 114.37 2kl3 n GLY 66 Ca -0.27 -2.08 -0.09 0.00 0.00 0.00 0.00 46.02 43.57 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 0.01 0.38 -2.77 4.61 0.00 -1.93 -3.36 119.26 116.20 2kl3 h ALA 67 Ca 0.00 -1.01 -0.36 0.00 0.00 0.00 0.00 54.91 53.55 2kl3 h ALA 67 Cb 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.65 2kl3 h ALA 67 CO 0.00 1.26 -0.53 0.20 0.00 0.00 0.00 179.25 180.18 2kl3 s GLY 68 N -4.78 1.88 0.14 0.00 0.00 -1.26 -4.85 107.32 98.45 2kl3 s GLY 68 Ca -0.01 -1.87 -0.21 0.00 0.00 0.00 0.00 44.72 42.63 2kl3 s GLY 68 CO 0.83 -1.41 1.67 -0.55 0.00 0.00 0.00 173.10 173.65 2kl3 h ASP 69 N 2.34 -0.44 0.03 1.64 5.19 -1.93 -1.53 116.42 121.73 2kl3 h ASP 69 Ca -0.30 0.09 0.02 0.00 -0.62 0.00 0.00 57.03 56.22 2kl3 h ASP 69 Cb 1.24 0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.95 2kl3 h ASP 69 CO 0.44 -0.17 -0.14 -0.08 -3.12 0.00 0.00 179.24 176.16 2kl3 h GLU 70 N -0.13 -0.24 -0.71 3.56 4.81 -1.98 0.96 114.58 120.84 2kl3 h GLU 70 Ca 0.11 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2kl3 h GLU 70 Cb 0.30 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 2kl3 h GLU 70 CO -0.28 -0.16 0.47 0.37 -0.73 0.00 0.00 179.01 178.68 2kl3 h GLN 71 N -0.25 0.91 0.39 1.92 4.15 -1.95 -0.21 115.11 120.08 2kl3 h GLN 71 Ca 0.04 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 2kl3 h GLN 71 Cb 0.29 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.78 2kl3 h GLN 71 CO -0.11 0.61 -0.19 1.15 -1.93 0.00 0.00 178.83 178.36 2kl3 h THR 72 N 0.94 0.58 -0.62 2.39 2.02 -0.90 -2.30 112.91 115.02 2kl3 h THR 72 Ca 0.27 -0.44 -0.07 0.00 0.77 0.00 0.00 66.41 66.94 2kl3 h THR 72 Cb -0.08 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 2kl3 h THR 72 CO -0.07 0.08 0.12 0.28 0.37 0.00 0.00 175.52 176.30 2kl3 h SER 73 N -0.79 0.97 -0.39 4.18 0.02 -0.76 -2.06 113.55 114.72 2kl3 h SER 73 Ca -0.05 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.62 2kl3 h SER 73 Cb 0.53 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2kl3 h SER 73 CO 0.09 0.97 0.14 -0.61 -1.14 0.00 0.00 176.83 176.28 2kl3 h GLN 74 N 0.93 0.59 -0.08 3.45 4.15 -1.10 0.17 115.11 123.21 2kl3 h GLN 74 Ca 0.19 -0.12 0.02 0.00 0.77 0.00 0.00 58.65 59.52 2kl3 h GLN 74 Cb 0.40 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 2kl3 h GLN 74 CO 0.01 0.58 -0.06 0.00 -1.93 0.00 0.00 178.83 177.43 2kl3 h ALA 75 N 0.98 0.01 -0.46 3.38 0.00 -1.28 0.91 119.26 122.81 2kl3 h ALA 75 Ca 0.13 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2kl3 h ALA 75 Cb 0.22 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2kl3 h ALA 75 CO -0.01 -0.52 0.31 0.28 0.00 0.00 0.00 179.25 179.31 2kl3 h VAL 76 N -0.06 1.00 -0.35 0.00 2.07 -1.21 -0.10 116.25 117.60 2kl3 h VAL 76 Ca 0.05 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 2kl3 h VAL 76 Cb 0.14 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2kl3 h VAL 76 CO -0.12 0.08 0.15 -1.13 0.02 0.00 0.00 177.57 176.56 2kl3 h ASN 77 N 0.43 0.48 -0.69 0.57 -1.24 0.44 -0.77 115.58 114.80 2kl3 h ASN 77 Ca 0.19 -0.16 -0.04 0.00 0.71 0.00 0.00 56.30 57.00 2kl3 h ASN 77 Cb 0.23 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.12 2kl3 h ASN 77 CO -0.05 0.51 0.25 -0.07 -1.29 0.00 0.00 177.43 176.78 2kl3 h LEU 78 N 0.42 0.96 -0.04 0.34 3.38 0.13 0.38 115.31 120.89 2kl3 h LEU 78 Ca 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2kl3 h LEU 78 Cb 0.17 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2kl3 h LEU 78 CO -0.01 0.89 -0.01 -0.07 0.09 0.00 0.00 178.44 179.33 2kl3 h LEU 79 N 0.98 0.08 -1.18 1.67 3.38 -0.97 0.15 115.31 119.41 2kl3 h LEU 79 Ca 0.23 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2kl3 h LEU 79 Cb 0.24 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 2kl3 h LEU 79 CO -0.01 0.43 0.44 0.08 0.09 0.00 0.00 178.44 179.46 2kl3 h ARG 80 N -0.27 1.00 0.00 1.13 0.11 -1.08 0.66 114.38 115.93 2kl3 h ARG 80 Ca 0.01 -0.09 -0.06 0.00 0.10 0.00 0.00 59.98 59.95 2kl3 h ARG 80 Cb 0.39 -0.21 -0.01 0.00 1.11 0.00 0.00 29.97 31.25 2kl3 h ARG 80 CO 0.00 0.70 -0.27 1.03 0.10 0.00 0.00 179.97 181.53 2kl3 h SER 81 N 1.02 0.00 -0.10 0.08 0.87 -0.82 -2.49 113.55 112.11 2kl3 h SER 81 Ca 0.26 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.81 2kl3 h SER 81 Cb -0.03 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2kl3 h SER 81 CO -0.05 0.27 0.02 0.00 -0.53 0.00 0.00 176.83 176.55 2kl3 n ALA 82 N -2.46 2.77 0.00 6.23 0.00 0.50 -4.86 120.51 122.69 2kl3 n ALA 82 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2kl3 n ALA 82 Cb 0.33 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 0.13 3.01 3.45 0.00 0.00 -0.94 -4.97 105.19 105.88 2kl3 n GLY 83 Ca 0.05 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.59 2kl3 n GLY 83 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kl3 n PHE 84 N -1.27 1.49 0.20 1.61 3.72 -1.07 -4.87 117.46 117.27 2kl3 n PHE 84 Ca 0.00 0.28 -0.15 0.00 -0.05 0.00 0.00 57.45 57.54 2kl3 n PHE 84 Cb 0.00 -2.52 -0.08 0.00 -0.94 0.00 0.00 39.48 35.94 2kl3 n PHE 84 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2kl3 h GLU 85 N 12.94 -0.47 -4.11 -1.08 5.08 -0.07 -3.39 114.58 123.48 2kl3 h GLU 85 Ca -0.25 0.03 -0.77 0.00 -1.00 0.00 0.00 59.36 57.38 2kl3 h GLU 85 Cb 1.32 0.11 -0.24 0.00 0.50 0.00 0.00 28.75 30.44 2kl3 h GLU 85 CO 1.06 -0.23 0.49 -1.01 -1.00 0.00 0.00 179.01 178.32 2kl3 s HIS 86 N -5.54 3.74 -0.03 4.33 3.76 -1.07 -4.93 115.29 115.55 2kl3 s HIS 86 Ca -0.15 -2.08 0.01 0.00 -0.15 0.00 0.00 55.06 52.69 2kl3 s HIS 86 Cb 0.04 -3.98 0.02 0.00 1.11 0.00 0.00 32.58 29.77 2kl3 s HIS 86 CO 0.60 -1.13 -0.03 0.08 -0.85 0.00 0.00 174.74 173.42 2kl3 s VAL 87 N 0.45 0.40 0.11 -0.90 1.01 -1.26 -0.36 120.40 119.85 2kl3 s VAL 87 Ca 0.27 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.27 2kl3 s VAL 87 Cb -0.08 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 2kl3 s VAL 87 CO -0.08 0.18 -0.21 -0.55 0.00 0.00 0.00 175.10 174.45 2kl3 s SER 88 N 0.81 2.56 -0.22 3.32 0.15 0.28 -4.95 113.70 115.66 2kl3 s SER 88 Ca -0.10 -0.70 -0.09 0.00 0.70 0.00 0.00 55.95 55.77 2kl3 s SER 88 Cb -0.13 -0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.00 2kl3 s SER 88 CO -0.00 0.06 0.10 -1.83 1.20 0.00 0.00 173.24 172.76 2kl3 s GLU 89 N -1.96 3.95 0.11 5.44 -1.05 -0.91 -1.62 118.70 122.66 2kl3 s GLU 89 Ca 0.07 -0.34 -0.27 0.00 -0.15 0.00 0.00 54.97 54.28 2kl3 s GLU 89 Cb -0.10 -3.36 -0.06 0.00 -0.44 0.00 0.00 34.13 30.16 2kl3 s GLU 89 CO 0.04 0.10 0.85 -1.17 0.95 0.00 0.00 175.26 176.03 2kl3 s LEU 90 N 0.89 4.51 0.24 1.83 2.96 -0.52 -1.08 118.68 127.51 2kl3 s LEU 90 Ca 0.05 1.65 -0.14 0.00 -0.22 0.00 0.00 54.13 55.46 2kl3 s LEU 90 Cb -0.13 -3.40 -0.08 0.00 0.50 0.00 0.00 46.19 43.08 2kl3 s LEU 90 CO 0.03 0.04 0.64 -0.54 -1.32 0.00 0.00 176.35 175.20 2kl3 s LYS 91 N -0.35 4.00 0.00 1.98 -0.14 0.80 -4.38 119.74 121.64 2kl3 s LYS 91 Ca 0.41 0.57 0.00 0.00 -1.36 0.00 0.00 55.97 55.59 2kl3 s LYS 91 Cb -0.22 -2.69 0.00 0.00 -1.68 0.00 0.00 37.83 33.24 2kl3 s LYS 91 CO 0.27 0.32 0.00 0.41 -0.76 0.00 0.00 175.35 175.58 2kl3 n GLY 92 N 0.17 1.64 1.13 -3.33 0.00 -1.26 -3.86 105.19 99.67 2kl3 n GLY 92 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.85 0.12 -0.02 0.00 -1.26 -4.34 105.19 97.83 2kl3 n GLY 93 Ca 0.00 -1.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.21 -0.83 0.99 5.85 -1.89 -1.04 115.31 118.18 2kl3 h LEU 94 Ca 0.00 0.04 0.14 0.00 0.84 0.00 0.00 57.88 58.90 2kl3 h LEU 94 Cb 0.00 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 2kl3 h LEU 94 CO 0.00 -0.10 0.42 0.00 -0.34 0.00 0.00 178.44 178.42 2kl3 h ALA 95 N 0.94 1.23 -0.15 1.25 0.00 -1.93 0.35 119.26 120.95 2kl3 h ALA 95 Ca 0.05 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2kl3 h ALA 95 Cb 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2kl3 h ALA 95 CO -0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 179.25 179.05 2kl3 h ALA 96 N 1.54 0.21 -0.91 0.00 0.00 -1.66 0.31 119.26 118.75 2kl3 h ALA 96 Ca 0.45 -0.21 0.20 0.00 0.00 0.00 0.00 54.91 55.34 2kl3 h ALA 96 Cb 0.61 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.23 2kl3 h ALA 96 CO -0.35 -0.06 0.46 2.35 0.00 0.00 0.00 179.25 181.65 2kl3 h TRP 97 N 0.01 0.79 0.03 0.00 2.91 -0.55 -0.24 115.95 118.90 2kl3 h TRP 97 Ca 0.04 0.04 -0.22 0.00 1.13 0.00 0.00 58.89 59.88 2kl3 h TRP 97 Cb 0.41 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.84 2kl3 h TRP 97 CO 0.04 0.07 -0.97 0.87 -1.03 0.00 0.00 178.44 177.42 2kl3 h LYS 98 N 0.54 0.18 -0.35 2.65 1.57 -0.70 0.22 116.57 120.68 2kl3 h LYS 98 Ca 0.55 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.99 2kl3 h LYS 98 Cb 0.94 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2kl3 h LYS 98 CO -0.45 1.02 -0.24 0.00 -0.57 0.00 0.00 179.45 179.21 2kl3 h ALA 99 N 0.90 0.94 0.00 3.86 0.00 0.98 -2.36 119.26 123.57 2kl3 h ALA 99 Ca -0.06 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2kl3 h ALA 99 Cb 1.65 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2kl3 h ALA 99 CO 0.15 0.61 0.00 0.44 0.00 0.00 0.00 179.25 180.45 2kl3 n ILE 100 N -4.11 0.01 -2.06 0.00 -5.35 -0.23 -4.90 119.36 102.72 2kl3 n ILE 100 Ca -0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2kl3 n ILE 100 Cb 0.43 -0.52 0.00 0.00 -1.74 0.00 0.00 39.64 37.81 2kl3 n ILE 100 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kl3 n GLY 101 N 0.99 0.90 3.91 3.28 0.00 -0.89 -5.07 105.19 108.32 2kl3 n GLY 101 Ca 0.21 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.82 1.56 0.03 -0.02 0.00 0.78 -5.01 107.32 101.83 2kl3 s GLY 102 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 44.72 43.89 2kl3 s GLY 102 CO 0.00 -0.38 1.06 -4.14 0.00 0.00 0.00 173.10 169.64 2kl3 s PRO 103 N -4.49 4.52 0.10 2.90 0.02 -1.26 -4.65 135.00 132.14 2kl3 s PRO 103 Ca 0.47 1.55 0.02 0.00 0.02 0.00 0.00 61.00 63.05 2kl3 s PRO 103 Cb -0.10 -3.41 -0.04 0.00 0.02 0.00 0.00 34.50 30.96 2kl3 s PRO 103 CO 0.41 -0.11 -0.07 0.95 -0.33 0.00 0.00 177.00 177.85 2kl3 s THR 104 N 0.98 0.71 0.05 0.99 -4.23 -1.26 -1.28 115.64 111.59 2kl3 s THR 104 Ca 0.54 -1.92 -0.02 0.00 -1.18 0.00 0.00 61.69 59.11 2kl3 s THR 104 Cb -0.24 -1.67 -0.03 0.00 1.34 0.00 0.00 72.50 71.90 2kl3 s THR 104 CO 0.29 -0.86 0.01 -1.61 -0.54 0.00 0.00 174.62 171.91 2kl3 s GLU 105 N -3.78 0.59 0.00 3.99 2.02 0.65 -4.73 118.70 117.44 2kl3 s GLU 105 Ca 0.12 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 54.07 2kl3 s GLU 105 Cb 0.05 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.49 2kl3 s GLU 105 CO -0.04 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.52 2kl3 n GLY 106 N 0.40 2.44 0.36 -1.39 0.00 -1.26 0.45 105.19 106.19 2kl3 n GLY 106 Ca -0.16 -0.69 -0.01 0.00 0.00 0.00 0.00 46.02 45.15 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 1.52 1.23 0.13 -0.61 2.04 -0.06 -3.04 117.51 118.71 2kl3 h ILE 107 Ca 0.00 -0.45 -0.32 0.00 1.00 0.00 0.00 64.86 65.09 2kl3 h ILE 107 Cb 0.00 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.06 2kl3 h ILE 107 CO 0.00 0.23 -1.61 0.40 0.00 0.00 0.00 178.15 177.16 2kl3 h ILE 108 N 1.17 1.06 -0.53 -0.67 1.08 -1.52 -3.42 117.51 114.69 2kl3 h ILE 108 Ca 0.31 -2.70 -0.24 0.00 -0.39 0.00 0.00 64.86 61.85 2kl3 h ILE 108 Cb -0.10 2.73 -0.03 0.00 -3.07 0.00 0.00 36.82 36.35 2kl3 h ILE 108 CO -0.06 0.82 0.66 -1.61 -0.69 0.00 0.00 178.15 177.26 2kl3 s GLU 109 N -2.60 2.26 0.43 2.37 2.02 -1.07 -3.90 118.70 118.21 2kl3 s GLU 109 Ca -0.11 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.43 2kl3 s GLU 109 Cb 0.07 -5.07 0.00 0.00 0.10 0.00 0.00 34.13 29.23 2kl3 s GLU 109 CO 0.85 -3.93 0.00 0.45 0.02 0.00 0.00 175.26 172.65 2kl3 n SER 110 N 15.36 -3.81 -4.81 -0.19 2.88 -1.26 -4.14 113.62 117.66 2kl3 n SER 110 Ca 0.43 0.83 -0.29 0.00 -1.33 0.00 0.00 58.87 58.50 2kl3 n SER 110 Cb 0.46 3.58 -0.06 0.00 -0.75 0.00 0.00 64.21 67.45 2kl3 n SER 110 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kl3 s ARG 111 N -2.00 2.98 -0.13 -1.46 3.03 -1.25 -5.05 118.95 115.07 2kl3 s ARG 111 Ca 0.00 -0.71 0.24 0.00 2.03 0.00 0.00 55.73 57.29 2kl3 s ARG 111 Cb 0.00 -2.75 0.47 0.00 -1.03 0.00 0.00 34.95 31.63 2kl3 s ARG 111 CO 0.00 0.54 1.14 2.41 -1.13 0.00 0.00 175.30 178.27 2kl3 n THR 112 N 0.15 0.65 -1.82 4.99 -1.04 -1.26 -5.06 114.28 110.88 2kl3 n THR 112 Ca -0.08 -1.97 -0.21 0.00 -2.04 0.00 0.00 64.05 59.75 2kl3 n THR 112 Cb 0.53 1.15 -0.08 0.00 -1.82 0.00 0.00 70.33 70.11 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 -1.94 1.91 -0.29 -2.82 0.04 -1.26 -4.80 135.00 125.84 2kl3 s PRO 113 Ca 0.30 -0.45 -0.17 0.00 0.04 0.00 0.00 61.00 60.71 2kl3 s PRO 113 Cb 0.35 -5.04 0.13 0.00 0.04 0.00 0.00 34.50 29.99 2kl3 s PRO 113 CO -0.10 -4.46 0.95 0.00 0.04 0.00 0.00 177.00 173.43 2kl3 s ALA 114 N 13.51 -2.19 0.00 8.56 0.00 -1.26 -5.02 121.76 135.36 2kl3 s ALA 114 Ca 0.77 2.19 0.00 0.00 0.00 0.00 0.00 51.96 54.92 2kl3 s ALA 114 Cb -0.06 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.43 2kl3 s ALA 114 CO 0.11 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2kl3 n GLY 115 N 3.57 0.63 3.64 0.00 0.00 -1.26 -5.12 105.19 106.65 2kl3 n GLY 115 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 3.45 -0.30 4.61 0.00 -1.26 -4.96 121.76 123.30 2kl3 s ALA 116 Ca 0.00 0.27 -0.17 0.00 0.00 0.00 0.00 51.96 52.06 2kl3 s ALA 116 Cb 0.00 -3.74 0.18 0.00 0.00 0.00 0.00 23.12 19.57 2kl3 s ALA 116 CO 0.00 -1.60 1.16 0.34 0.00 0.00 0.00 175.76 175.66 2kl3 s ASP 117 N 2.71 -0.26 -0.18 0.00 2.15 -1.26 -5.18 116.67 114.65 2kl3 s ASP 117 Ca 0.58 0.38 -0.29 0.00 0.43 0.00 0.00 52.55 53.65 2kl3 s ASP 117 Cb -0.19 1.22 0.11 0.00 -0.30 0.00 0.00 42.92 43.75 2kl3 s ASP 117 CO 0.21 -0.06 0.93 1.51 -0.17 0.00 0.00 175.17 177.59 2kl3 s ASP 118 N 1.73 -0.47 0.00 -0.34 1.47 -1.26 -5.12 116.67 112.68 2kl3 s ASP 118 Ca -0.04 0.66 0.00 0.00 1.18 0.00 0.00 52.55 54.35 2kl3 s ASP 118 Cb -0.03 0.58 0.00 0.00 -0.34 0.00 0.00 42.92 43.13 2kl3 s ASP 118 CO -0.14 -0.33 0.00 0.00 0.68 0.00 0.00 175.17 175.37 2kl3 n TYR 119 N 1.30 0.00 -0.86 2.11 9.36 -1.26 -5.06 117.16 122.75 2kl3 n TYR 119 Ca -0.13 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.10 2kl3 n TYR 119 Cb 0.57 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 39.29 2kl3 n TYR 119 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2kl3 n ASN 120 N 0.00 0.71 -4.51 2.98 6.94 -1.26 -5.04 115.26 115.08 2kl3 n ASN 120 Ca 0.00 -1.54 -0.43 0.00 -0.02 0.00 0.00 54.58 52.59 2kl3 n ASN 120 Cb 0.00 -0.05 -0.08 0.00 -2.36 0.00 0.00 39.78 37.29 2kl3 n ASN 120 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2kl3 s VAL 121 N -0.47 5.00 0.02 3.53 1.01 -1.26 -5.06 120.40 123.18 2kl3 s VAL 121 Ca 0.02 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 2kl3 s VAL 121 Cb 0.02 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 2kl3 s VAL 121 CO 0.00 -0.44 0.29 0.68 0.00 0.00 0.00 175.10 175.64 2kl3 s VAL 122 N 2.37 5.26 -0.22 2.92 -7.23 -1.26 -5.10 120.40 117.15 2kl3 s VAL 122 Ca 0.16 0.22 -0.00 0.00 -1.81 0.00 0.00 61.98 60.55 2kl3 s VAL 122 Cb -0.16 -3.58 0.06 0.00 0.56 0.00 0.00 36.38 33.26 2kl3 s VAL 122 CO 0.15 0.36 -0.03 -0.55 -0.31 0.00 0.00 175.10 174.72 2kl3 s SER 123 N -1.70 3.55 0.07 4.85 0.15 -1.26 -5.11 113.70 114.25 2kl3 s SER 123 Ca 0.28 -1.06 -0.25 0.00 0.70 0.00 0.00 55.95 55.62 2kl3 s SER 123 Cb -0.13 -0.99 0.06 0.00 -1.71 0.00 0.00 66.02 63.25 2kl3 s SER 123 CO 0.16 -0.26 0.60 0.00 1.20 0.00 0.00 173.24 174.95 2kl3 s ARG 124 N 1.54 1.15 -0.04 5.44 1.04 -1.26 -5.18 118.95 121.63 2kl3 s ARG 124 Ca -0.04 -0.20 -0.08 0.00 -1.04 0.00 0.00 55.73 54.37 2kl3 s ARG 124 Cb -0.18 0.53 0.01 0.00 -2.04 0.00 0.00 34.95 33.27 2kl3 s ARG 124 CO -0.07 -0.44 0.20 -1.17 -0.04 0.00 0.00 175.30 173.78 2kl3 s LEU 125 N -2.09 1.29 -0.15 -1.89 2.96 -1.26 -5.16 118.68 112.36 2kl3 s LEU 125 Ca -0.04 0.17 -0.12 0.00 -0.22 0.00 0.00 54.13 53.91 2kl3 s LEU 125 Cb -0.01 0.76 0.04 0.00 0.50 0.00 0.00 46.19 47.49 2kl3 s LEU 125 CO -0.03 -0.21 0.40 -0.70 -1.32 0.00 0.00 176.35 174.48 2kl3 s GLU 126 N -0.55 0.44 -0.30 1.98 2.12 -1.26 -5.15 118.70 115.98 2kl3 s GLU 126 Ca -0.06 0.62 -0.07 0.00 0.36 0.00 0.00 54.97 55.81 2kl3 s GLU 126 Cb -0.04 0.15 0.16 0.00 0.26 0.00 0.00 34.13 34.67 2kl3 s GLU 126 CO 0.01 -0.08 0.70 -3.38 -0.54 0.00 0.00 175.26 171.97 2kl3 s HIS 127 N 0.54 -1.30 -0.20 5.30 -3.43 -1.26 -5.14 115.29 109.80 2kl3 s HIS 127 Ca -0.03 1.80 -0.04 0.00 -0.80 0.00 0.00 55.06 56.00 2kl3 s HIS 127 Cb -0.04 0.61 0.09 0.00 -1.43 0.00 0.00 32.58 31.81 2kl3 s HIS 127 CO -0.03 -0.68 0.23 -3.38 -2.00 0.00 0.00 174.74 168.87 2kl3 s HIS 128 N 2.83 -0.29 -0.30 0.38 -3.43 -1.26 -5.12 115.29 108.10 2kl3 s HIS 128 Ca 0.06 0.26 -0.13 0.00 -0.80 0.00 0.00 55.06 54.44 2kl3 s HIS 128 Cb -0.12 -0.34 0.15 0.00 -1.43 0.00 0.00 32.58 30.84 2kl3 s HIS 128 CO -0.19 -0.60 0.87 -3.38 -2.00 0.00 0.00 174.74 169.44 2kl3 s HIS 129 N 2.33 -0.92 0.00 0.38 -3.43 -1.26 -5.05 115.29 107.34 2kl3 s HIS 129 Ca 0.07 1.58 0.02 0.00 -0.80 0.00 0.00 55.06 55.94 2kl3 s HIS 129 Cb -0.16 0.55 0.04 0.00 -1.43 0.00 0.00 32.58 31.58 2kl3 s HIS 129 CO -0.12 -0.45 0.86 1.58 -2.00 0.00 0.00 174.74 174.61 2kl3 n HIS 130 N 5.15 0.00 -2.25 0.38 -0.00 -1.26 -5.02 115.22 112.21 2kl3 n HIS 130 Ca -0.10 -0.07 -0.33 0.00 0.46 0.00 0.00 57.72 57.68 2kl3 n HIS 130 Cb 0.51 0.06 -0.04 0.00 -0.12 0.00 0.00 29.99 30.40 2kl3 n HIS 130 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kl3 s HIS 131 N 0.00 2.21 -2.70 1.57 5.04 -1.26 -5.41 115.29 114.74 2kl3 s HIS 131 Ca 0.03 -0.20 0.26 0.00 -1.54 0.00 0.00 55.06 53.62 2kl3 s HIS 131 Cb 0.03 -4.28 0.71 0.00 0.04 0.00 0.00 32.58 29.08 2kl3 s HIS 131 CO -0.01 -1.53 1.55 1.58 -2.34 0.00 0.00 174.74 173.98