#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl3 n GLU 2 N 0.00 1.88 -0.13 2.12 1.02 -1.26 -4.94 120.64 119.33 2kl3 n GLU 2 Ca 0.00 0.68 -0.09 0.00 -0.02 0.00 0.00 57.16 57.73 2kl3 n GLU 2 Cb 0.00 -2.55 -0.00 0.00 -0.02 0.00 0.00 31.44 28.86 2kl3 n GLU 2 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2kl3 h PRO 3 N 1.77 0.54 -4.96 3.49 0.13 -1.95 -3.42 132.00 127.59 2kl3 h PRO 3 Ca -0.50 -0.06 -0.64 0.00 -0.87 0.00 0.00 66.00 63.93 2kl3 h PRO 3 Cb 1.29 -0.11 -0.35 0.00 0.13 0.00 0.00 31.00 31.97 2kl3 h PRO 3 CO 0.58 0.43 -0.85 -0.65 -0.23 0.00 0.00 178.00 177.28 2kl3 s GLN 4 N -5.90 2.72 -0.07 0.86 -0.21 -1.26 -0.45 119.66 115.34 2kl3 s GLN 4 Ca -0.13 -0.73 -0.04 0.00 0.02 0.00 0.00 55.36 54.48 2kl3 s GLN 4 Cb 0.10 -2.32 -0.04 0.00 1.00 0.00 0.00 33.01 31.75 2kl3 s GLN 4 CO 0.73 -0.14 0.11 0.45 -2.12 0.00 0.00 175.29 174.32 2kl3 s SER 5 N 1.16 6.03 0.49 5.90 0.15 0.90 -4.91 113.70 123.43 2kl3 s SER 5 Ca 0.00 0.33 -0.22 0.00 0.70 0.00 0.00 55.95 56.76 2kl3 s SER 5 Cb -0.14 -1.86 -0.07 0.00 -1.71 0.00 0.00 66.02 62.25 2kl3 s SER 5 CO -0.08 0.35 1.17 -1.81 1.20 0.00 0.00 173.24 174.08 2kl3 s ASP 6 N -1.28 5.94 0.05 5.45 1.11 -1.26 -0.83 116.67 125.85 2kl3 s ASP 6 Ca 0.18 2.30 -0.23 0.00 0.18 0.00 0.00 52.55 54.98 2kl3 s ASP 6 Cb -0.12 -2.60 -0.15 0.00 1.07 0.00 0.00 42.92 41.12 2kl3 s ASP 6 CO 0.08 -1.08 1.52 0.00 1.18 0.00 0.00 175.17 176.87 2kl3 h ALA 7 N 1.72 0.09 0.00 5.23 0.00 -1.95 -2.70 119.26 121.65 2kl3 h ALA 7 Ca -0.50 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 2kl3 h ALA 7 Cb 1.26 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2kl3 h ALA 7 CO 0.59 -0.27 -0.23 1.12 0.00 0.00 0.00 179.25 180.46 2kl3 h HIS 8 N -0.12 0.00 -0.34 0.00 -0.00 -1.93 0.10 115.15 112.87 2kl3 h HIS 8 Ca 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.35 2kl3 h HIS 8 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.66 2kl3 h HIS 8 CO 0.01 0.23 0.05 0.28 -0.00 0.00 0.00 177.93 178.50 2kl3 h VAL 9 N 0.00 1.24 -0.68 6.12 2.07 -1.94 0.71 116.25 123.78 2kl3 h VAL 9 Ca -0.00 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 2kl3 h VAL 9 Cb 0.49 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 2kl3 h VAL 9 CO 0.03 0.28 0.26 0.25 0.02 0.00 0.00 177.57 178.41 2kl3 h LEU 10 N 0.39 0.95 -0.16 2.57 5.85 -1.09 -2.70 115.31 121.13 2kl3 h LEU 10 Ca 0.10 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2kl3 h LEU 10 Cb 0.37 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2kl3 h LEU 10 CO 0.01 0.88 0.06 0.50 -0.34 0.00 0.00 178.44 179.55 2kl3 h LYS 11 N 0.97 0.24 -0.60 1.25 3.64 -0.63 -0.73 116.57 120.70 2kl3 h LYS 11 Ca 0.22 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 2kl3 h LYS 11 Cb 0.23 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 2kl3 h LYS 11 CO -0.02 0.32 0.13 0.66 -2.27 0.00 0.00 179.45 178.28 2kl3 h SER 12 N 0.10 0.88 0.08 4.20 4.64 -0.84 -0.95 113.55 121.66 2kl3 h SER 12 Ca 0.05 -0.17 -0.15 0.00 -0.47 0.00 0.00 61.79 61.05 2kl3 h SER 12 Cb 0.17 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 2kl3 h SER 12 CO -0.00 0.87 -0.52 0.03 -0.87 0.00 0.00 176.83 176.33 2kl3 h ARG 13 N 0.89 0.49 -0.03 4.77 3.08 -1.42 0.51 114.38 122.68 2kl3 h ARG 13 Ca 0.19 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 2kl3 h ARG 13 Cb 0.34 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 2kl3 h ARG 13 CO 0.00 0.89 0.01 1.25 -1.07 0.00 0.00 179.97 181.05 2kl3 h LEU 14 N 0.38 0.04 0.00 3.04 6.46 -0.55 1.16 115.31 125.84 2kl3 h LEU 14 Ca 0.01 -0.16 -0.08 0.00 -0.12 0.00 0.00 57.88 57.53 2kl3 h LEU 14 Cb 1.04 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.95 2kl3 h LEU 14 CO 0.09 0.18 -0.51 -0.33 -0.62 0.00 0.00 178.44 177.25 2kl3 h GLU 15 N -0.11 0.00 0.00 1.25 5.08 -1.20 -3.36 114.58 116.24 2kl3 h GLU 15 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2kl3 h GLU 15 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2kl3 h GLU 15 CO -0.00 0.77 -0.55 0.91 -1.00 0.00 0.00 179.01 179.13 2kl3 n TRP 16 N -4.57 0.93 0.00 4.33 7.02 0.16 -4.87 117.44 120.44 2kl3 n TRP 16 Ca -0.17 0.40 0.00 0.00 -1.02 0.00 0.00 57.50 56.72 2kl3 n TRP 16 Cb 0.47 -0.79 0.00 0.00 -2.42 0.00 0.00 31.31 28.57 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 1.61 -1.56 3.38 6.99 0.00 0.12 -4.96 105.19 110.77 2kl3 n GLY 17 Ca -0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.95 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 0.31 0.00 1.61 2.12 0.40 -4.97 118.70 118.17 2kl3 s GLU 18 Ca 0.00 0.74 -0.05 0.00 0.36 0.00 0.00 54.97 56.02 2kl3 s GLU 18 Cb 0.00 0.44 -0.22 0.00 0.26 0.00 0.00 34.13 34.61 2kl3 s GLU 18 CO 0.00 -0.14 3.16 -0.35 -0.54 0.00 0.00 175.26 177.40 2kl3 n PRO 19 N 5.07 1.71 0.00 4.30 -0.04 -1.23 -4.28 135.00 140.54 2kl3 n PRO 19 Ca -0.09 -0.82 0.15 0.00 -0.04 0.00 0.00 63.50 62.70 2kl3 n PRO 19 Cb 0.52 -1.87 0.70 0.00 -0.04 0.00 0.00 33.50 32.81 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 2.47 2.69 -2.61 0.55 0.00 -1.26 -4.87 120.51 117.48 2kl3 n ALA 20 Ca 0.35 -0.27 -0.25 0.00 0.00 0.00 0.00 53.44 53.27 2kl3 n ALA 20 Cb 0.79 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.26 3.51 -0.18 0.00 -0.12 -1.26 -4.78 117.98 112.88 2kl3 s PHE 21 Ca 0.36 0.42 -0.02 0.00 -0.05 0.00 0.00 56.93 57.64 2kl3 s PHE 21 Cb 0.21 -1.96 -0.01 0.00 -0.63 0.00 0.00 43.02 40.63 2kl3 s PHE 21 CO 0.42 0.09 -0.09 0.99 -0.05 0.00 0.00 175.22 176.58 2kl3 s THR 22 N -2.34 3.19 -0.13 -4.49 2.01 -0.13 -5.01 115.64 108.74 2kl3 s THR 22 Ca 0.41 -0.58 -0.09 0.00 0.31 0.00 0.00 61.69 61.74 2kl3 s THR 22 Cb -0.10 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 2kl3 s THR 22 CO 0.36 0.47 0.18 -0.63 -0.69 0.00 0.00 174.62 174.32 2kl3 s ILE 23 N 0.97 5.42 -0.13 1.82 1.01 -1.26 -0.41 121.20 128.62 2kl3 s ILE 23 Ca -0.01 0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.96 2kl3 s ILE 23 Cb -0.15 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 38.87 2kl3 s ILE 23 CO -0.00 0.56 -0.20 -0.76 0.00 0.00 0.00 174.94 174.53 2kl3 s LEU 24 N -0.60 2.01 -0.76 2.97 1.43 -0.81 -0.40 118.68 122.52 2kl3 s LEU 24 Ca 0.14 -0.56 -0.24 0.00 -1.03 0.00 0.00 54.13 52.45 2kl3 s LEU 24 Cb -0.12 -1.35 0.06 0.00 0.03 0.00 0.00 46.19 44.80 2kl3 s LEU 24 CO 0.04 0.07 1.16 -1.81 0.23 0.00 0.00 176.35 176.04 2kl3 s ASP 25 N 0.81 6.24 0.00 2.29 1.01 -0.63 -2.45 116.67 123.95 2kl3 s ASP 25 Ca -0.08 -0.92 0.25 0.00 0.71 0.00 0.00 52.55 52.51 2kl3 s ASP 25 Cb -0.16 -2.49 0.69 0.00 1.01 0.00 0.00 42.92 41.97 2kl3 s ASP 25 CO -0.01 -1.57 1.54 1.33 0.21 0.00 0.00 175.17 176.66 2kl3 n VAL 26 N 6.18 0.09 0.07 -1.27 0.24 -1.08 -3.39 118.33 119.16 2kl3 n VAL 26 Ca 0.05 -0.39 -0.03 0.00 -2.04 0.00 0.00 64.34 61.94 2kl3 n VAL 26 Cb 0.48 0.82 -0.02 0.00 -1.47 0.00 0.00 33.84 33.65 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 3.23 -0.19 -1.45 7.34 3.08 -1.86 -2.55 114.38 121.97 2kl3 h ARG 27 Ca 0.00 0.01 0.23 0.00 0.07 0.00 0.00 59.98 60.29 2kl3 h ARG 27 Cb 0.69 0.04 -0.20 0.00 0.08 0.00 0.00 29.97 30.58 2kl3 h ARG 27 CO 0.00 -0.13 0.79 0.34 -1.07 0.00 0.00 179.97 179.91 2kl3 s ASP 28 N -2.36 -0.15 0.22 7.04 -1.08 -1.26 -4.70 116.67 114.38 2kl3 s ASP 28 Ca -0.03 0.05 -0.07 0.00 -0.52 0.00 0.00 52.55 51.98 2kl3 s ASP 28 Cb 0.00 0.15 0.19 0.00 -1.46 0.00 0.00 42.92 41.80 2kl3 s ASP 28 CO 0.09 -0.23 1.76 -0.09 0.52 0.00 0.00 175.17 177.22 2kl3 h ARG 29 N 2.07 1.11 -0.03 4.34 9.65 -1.94 0.23 114.38 129.81 2kl3 h ARG 29 Ca -0.10 -0.23 -0.02 0.00 -1.10 0.00 0.00 59.98 58.53 2kl3 h ARG 29 Cb 1.17 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.59 2kl3 h ARG 29 CO 0.24 0.95 -0.05 0.66 2.80 0.00 0.00 179.97 184.56 2kl3 h SER 30 N 1.07 0.10 -0.61 -3.80 4.64 -2.00 -2.79 113.55 110.16 2kl3 h SER 30 Ca 0.23 -0.55 0.09 0.00 -0.47 0.00 0.00 61.79 61.09 2kl3 h SER 30 Cb 0.30 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.32 2kl3 h SER 30 CO -0.01 0.63 0.41 0.74 -0.87 0.00 0.00 176.83 177.73 2kl3 h THR 31 N -0.44 0.92 -0.07 2.95 2.02 -1.91 0.11 112.91 116.49 2kl3 h THR 31 Ca 0.00 -0.16 0.03 0.00 0.77 0.00 0.00 66.41 67.06 2kl3 h THR 31 Cb 0.61 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 2kl3 h THR 31 CO 0.01 0.08 -0.15 0.22 0.37 0.00 0.00 175.52 176.05 2kl3 h TYR 32 N 0.47 -0.39 -0.55 3.16 3.20 -0.44 -1.04 116.97 121.37 2kl3 h TYR 32 Ca 0.28 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.18 2kl3 h TYR 32 Cb 0.48 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 2kl3 h TYR 32 CO -0.00 -0.22 0.35 -0.91 -1.64 0.00 0.00 178.16 175.73 2kl3 h ASN 33 N -0.22 0.59 -0.51 -2.11 2.35 -0.80 -3.02 115.58 111.87 2kl3 h ASN 33 Ca 0.08 -0.01 0.08 0.00 -0.55 0.00 0.00 56.30 55.90 2kl3 h ASN 33 Cb 0.32 -0.13 -0.07 0.00 0.05 0.00 0.00 38.32 38.49 2kl3 h ASN 33 CO -0.20 0.42 0.11 0.44 -1.65 0.00 0.00 177.43 176.55 2kl3 h ASP 34 N 0.70 0.03 -0.85 5.81 3.32 -0.41 0.50 116.42 125.52 2kl3 h ASP 34 Ca 0.21 0.09 0.22 0.00 0.02 0.00 0.00 57.03 57.57 2kl3 h ASP 34 Cb -0.03 0.11 -0.27 0.00 0.22 0.00 0.00 39.33 39.36 2kl3 h ASP 34 CO -0.07 0.04 0.47 -0.83 -1.72 0.00 0.00 179.24 177.13 2kl3 s GLY 35 N -3.04 0.19 0.10 2.75 0.00 -0.44 0.20 107.32 107.08 2kl3 s GLY 35 Ca -0.13 3.49 -0.04 0.00 0.00 0.00 0.00 44.72 48.04 2kl3 s GLY 35 CO 0.73 3.19 0.09 -2.38 0.00 0.00 0.00 173.10 174.73 2kl3 s HIS 36 N 1.95 0.57 0.38 1.90 -3.43 0.53 -4.64 115.29 112.55 2kl3 s HIS 36 Ca -0.02 -1.00 -0.28 0.00 -0.80 0.00 0.00 55.06 52.96 2kl3 s HIS 36 Cb -0.03 -0.32 -0.10 0.00 -1.43 0.00 0.00 32.58 30.71 2kl3 s HIS 36 CO -0.15 -0.51 1.44 0.42 -2.00 0.00 0.00 174.74 173.93 2kl3 s ILE 37 N -3.97 2.18 -0.20 -5.38 1.01 -1.26 -0.45 121.20 113.13 2kl3 s ILE 37 Ca 0.15 0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.68 2kl3 s ILE 37 Cb 0.07 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 2kl3 s ILE 37 CO -0.04 0.04 1.98 -0.32 0.00 0.00 0.00 174.94 176.60 2kl3 s MET 38 N -2.12 3.46 0.00 2.79 -2.45 -0.89 -1.52 119.30 118.57 2kl3 s MET 38 Ca 0.54 1.95 0.00 0.00 -1.25 0.00 0.00 55.69 56.92 2kl3 s MET 38 Cb -0.45 -4.24 0.00 0.00 1.25 0.00 0.00 34.83 31.39 2kl3 s MET 38 CO 0.60 -1.71 0.00 0.41 1.05 0.00 0.00 175.02 175.36 2kl3 n GLY 39 N 5.29 0.67 3.71 2.11 0.00 -1.26 -4.97 105.19 110.73 2kl3 n GLY 39 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.21 1.14 0.04 4.61 0.00 -0.58 -4.78 121.76 119.98 2kl3 s ALA 40 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.56 2kl3 s ALA 40 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 2kl3 s ALA 40 CO 0.00 -2.73 -0.04 -1.64 0.00 0.00 0.00 175.76 171.36 2kl3 s MET 41 N -5.06 2.56 -1.33 0.00 -1.94 0.47 -4.99 119.30 109.00 2kl3 s MET 41 Ca 0.65 -0.76 -0.11 0.00 -1.71 0.00 0.00 55.69 53.76 2kl3 s MET 41 Cb -0.17 -2.53 0.13 0.00 2.01 0.00 0.00 34.83 34.27 2kl3 s MET 41 CO 0.56 0.58 1.94 0.00 -0.01 0.00 0.00 175.02 178.09 2kl3 n ALA 42 N 1.17 5.24 -3.68 3.03 0.00 -1.26 -1.60 120.51 123.41 2kl3 n ALA 42 Ca -0.14 -4.17 -0.38 0.00 0.00 0.00 0.00 53.44 48.75 2kl3 n ALA 42 Cb 0.52 -3.17 -0.09 0.00 0.00 0.00 0.00 19.45 16.72 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 1.40 2.57 0.31 0.00 -1.94 -1.25 -4.99 119.30 115.40 2kl3 s MET 43 Ca 0.42 -2.37 -0.28 0.00 -1.71 0.00 0.00 55.69 51.75 2kl3 s MET 43 Cb 0.10 -3.79 -0.09 0.00 2.01 0.00 0.00 34.83 33.05 2kl3 s MET 43 CO -0.02 -1.17 1.07 -1.25 -0.01 0.00 0.00 175.02 173.64 2kl3 s PRO 44 N 0.23 4.54 0.59 2.03 0.04 -1.22 -3.53 135.00 137.68 2kl3 s PRO 44 Ca 0.15 1.69 0.29 0.00 0.04 0.00 0.00 61.00 63.17 2kl3 s PRO 44 Cb -0.20 -3.03 1.35 0.00 0.04 0.00 0.00 34.50 32.66 2kl3 s PRO 44 CO -0.04 0.15 1.74 0.97 0.04 0.00 0.00 177.00 179.87 2kl3 h ILE 45 N 2.86 0.26 0.00 0.56 2.10 -1.68 0.83 117.51 122.45 2kl3 h ILE 45 Ca -0.47 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.47 2kl3 h ILE 45 Cb 1.21 0.44 0.00 0.00 -1.09 0.00 0.00 36.82 37.39 2kl3 h ILE 45 CO 0.66 0.00 -0.00 -0.33 -1.08 0.00 0.00 178.15 177.40 2kl3 h GLU 46 N 0.00 -0.00 -0.29 2.19 5.08 -1.91 -3.30 114.58 116.35 2kl3 h GLU 46 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2kl3 h GLU 46 Cb 1.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.96 2kl3 h GLU 46 CO -0.00 0.43 0.00 -0.25 -1.00 0.00 0.00 179.01 178.19 2kl3 n ASP 47 N -4.88 3.20 -0.19 1.42 8.00 0.35 -4.78 116.55 119.67 2kl3 n ASP 47 Ca -0.08 -1.94 -0.12 0.00 0.71 0.00 0.00 54.79 53.36 2kl3 n ASP 47 Cb 0.23 -0.18 -0.09 0.00 -0.02 0.00 0.00 41.12 41.05 2kl3 n ASP 47 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2kl3 h LEU 48 N 4.10 -1.81 -0.03 0.64 5.85 0.46 0.51 115.31 125.03 2kl3 h LEU 48 Ca 0.00 0.25 0.03 0.00 0.84 0.00 0.00 57.88 59.00 2kl3 h LEU 48 Cb 0.92 0.76 -0.04 0.00 0.37 0.00 0.00 40.66 42.66 2kl3 h LEU 48 CO 0.00 -0.34 -0.20 0.58 -0.34 0.00 0.00 178.44 178.14 2kl3 h VAL 49 N -0.28 0.52 -0.31 1.05 2.07 -1.86 0.06 116.25 117.50 2kl3 h VAL 49 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.62 2kl3 h VAL 49 Cb 0.51 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2kl3 h VAL 49 CO -0.63 0.00 0.19 0.44 0.02 0.00 0.00 177.57 177.59 2kl3 h ASP 50 N -0.30 0.32 0.22 0.57 5.19 -1.84 0.19 116.42 120.78 2kl3 h ASP 50 Ca 0.07 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2kl3 h ASP 50 Cb 0.40 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.82 2kl3 h ASP 50 CO -0.21 0.24 -0.21 0.03 -3.12 0.00 0.00 179.24 175.97 2kl3 h ARG 51 N 0.40 -0.44 -0.57 3.56 2.47 -0.53 -2.57 114.38 116.70 2kl3 h ARG 51 Ca 0.12 0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 58.81 2kl3 h ARG 51 Cb -0.02 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 2kl3 h ARG 51 CO -0.04 -0.30 0.11 0.00 0.56 0.00 0.00 179.97 180.30 2kl3 h ALA 52 N 0.26 0.75 -0.01 0.04 0.00 -0.92 -1.49 119.26 117.88 2kl3 h ALA 52 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kl3 h ALA 52 Cb 0.43 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2kl3 h ALA 52 CO -0.04 0.48 0.01 1.03 0.00 0.00 0.00 179.25 180.73 2kl3 h SER 53 N 0.82 0.00 0.00 0.00 0.87 -0.84 0.17 113.55 114.58 2kl3 h SER 53 Ca 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2kl3 h SER 53 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2kl3 h SER 53 CO 0.01 0.00 -0.45 -0.24 -0.53 0.00 0.00 176.83 175.62 2kl3 n SER 54 N -3.48 1.36 0.03 6.23 2.88 -0.98 -4.61 113.62 115.05 2kl3 n SER 54 Ca -0.03 0.48 0.13 0.00 -1.33 0.00 0.00 58.87 58.13 2kl3 n SER 54 Cb 0.09 -0.76 0.51 0.00 -0.75 0.00 0.00 64.21 63.30 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 -3.99 0.31 -4.30 -3.46 7.64 -0.60 -4.87 113.62 104.35 2kl3 n SER 55 Ca -0.06 0.44 -0.18 0.00 1.01 0.00 0.00 58.87 60.08 2kl3 n SER 55 Cb 0.23 -0.49 -0.10 0.00 -1.01 0.00 0.00 64.21 62.83 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 -3.50 2.50 0.77 -3.43 1.43 0.61 -5.05 118.68 112.00 2kl3 s LEU 56 Ca 0.12 -0.94 -0.04 0.00 -1.03 0.00 0.00 54.13 52.24 2kl3 s LEU 56 Cb 0.17 -0.62 0.14 0.00 0.03 0.00 0.00 46.19 45.91 2kl3 s LEU 56 CO 0.57 -0.16 1.06 -1.61 0.23 0.00 0.00 176.35 176.44 2kl3 s GLU 57 N -3.29 1.46 -0.02 1.70 8.01 -1.26 -4.43 118.70 120.86 2kl3 s GLU 57 Ca 0.17 -0.97 0.21 0.00 0.01 0.00 0.00 54.97 54.39 2kl3 s GLU 57 Cb -0.02 -2.23 -0.28 0.00 -4.31 0.00 0.00 34.13 27.28 2kl3 s GLU 57 CO 0.05 -1.65 0.50 1.63 0.01 0.00 0.00 175.26 175.80 2kl3 n LYS 58 N -3.03 0.66 0.17 1.61 5.02 -1.26 -3.89 118.16 117.43 2kl3 n LYS 58 Ca 0.15 -0.12 0.12 0.00 -2.02 0.00 0.00 58.31 56.44 2kl3 n LYS 58 Cb 0.60 -1.57 0.24 0.00 -0.02 0.00 0.00 35.03 34.29 2kl3 n LYS 58 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2kl3 h SER 59 N 0.00 0.00 -2.55 4.39 4.64 -1.94 0.37 113.55 118.47 2kl3 h SER 59 Ca -0.08 -0.01 -0.54 0.00 -0.47 0.00 0.00 61.79 60.69 2kl3 h SER 59 Cb 1.20 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.34 2kl3 h SER 59 CO 0.01 0.00 0.99 -1.14 -0.87 0.00 0.00 176.83 175.82 2kl3 n ARG 60 N -2.74 2.66 -2.09 4.77 3.00 -1.25 -4.59 116.66 116.42 2kl3 n ARG 60 Ca 0.04 0.96 -0.36 0.00 -0.00 0.00 0.00 57.85 58.49 2kl3 n ARG 60 Cb 0.49 -2.80 -0.03 0.00 0.00 0.00 0.00 32.46 30.12 2kl3 n ARG 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kl3 s ASP 61 N 1.38 5.33 -0.14 6.15 1.01 -1.26 -4.21 116.67 124.93 2kl3 s ASP 61 Ca 0.77 0.03 -0.05 0.00 0.71 0.00 0.00 52.55 54.01 2kl3 s ASP 61 Cb -0.54 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 40.82 2kl3 s ASP 61 CO 0.34 -2.40 0.03 -0.63 0.21 0.00 0.00 175.17 172.72 2kl3 s ILE 62 N 8.99 4.54 -0.20 0.77 1.01 0.57 -0.96 121.20 135.92 2kl3 s ILE 62 Ca 0.65 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 61.18 2kl3 s ILE 62 Cb -0.11 -2.98 0.04 0.00 0.01 0.00 0.00 42.46 39.42 2kl3 s ILE 62 CO 0.15 0.53 -0.13 -0.31 0.00 0.00 0.00 174.94 175.18 2kl3 s TYR 63 N -0.19 2.66 -0.10 3.97 2.02 0.45 -1.47 117.35 124.70 2kl3 s TYR 63 Ca 0.06 -1.72 -0.03 0.00 -0.37 0.00 0.00 57.07 55.01 2kl3 s TYR 63 Cb -0.12 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.64 2kl3 s TYR 63 CO 0.02 -0.78 0.03 0.08 -1.57 0.00 0.00 175.55 173.33 2kl3 s VAL 64 N 1.32 4.58 -0.01 0.71 1.01 -0.85 -1.93 120.40 125.23 2kl3 s VAL 64 Ca -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 2kl3 s VAL 64 Cb -0.16 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.29 2kl3 s VAL 64 CO -0.09 0.60 0.02 -0.72 0.00 0.00 0.00 175.10 174.91 2kl3 s TYR 65 N -0.85 0.01 0.00 5.22 1.13 -1.02 -1.47 117.35 120.35 2kl3 s TYR 65 Ca 0.13 0.08 0.00 0.00 -1.41 0.00 0.00 57.07 55.87 2kl3 s TYR 65 Cb -0.12 -0.11 0.00 0.00 -1.10 0.00 0.00 41.96 40.64 2kl3 s TYR 65 CO 0.03 -0.05 0.00 0.41 -2.51 0.00 0.00 175.55 173.43 2kl3 n GLY 66 N 3.61 3.56 0.16 5.49 0.00 -1.26 -2.63 105.19 114.11 2kl3 n GLY 66 Ca -0.20 -2.03 -0.19 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.44 0.06 -4.56 4.61 0.00 -1.93 -3.38 119.26 113.61 2kl3 h ALA 67 Ca 0.00 -0.65 -0.41 0.00 0.00 0.00 0.00 54.91 53.85 2kl3 h ALA 67 Cb 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.76 2kl3 h ALA 67 CO 0.00 0.50 -0.34 0.41 0.00 0.00 0.00 179.25 179.82 2kl3 n GLY 68 N 1.18 3.49 0.15 0.00 0.00 -1.26 -4.80 105.19 103.96 2kl3 n GLY 68 Ca -0.11 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.73 2kl3 n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kl3 h ASP 69 N 1.16 -0.33 0.18 1.61 5.19 -1.95 -2.43 116.42 119.85 2kl3 h ASP 69 Ca -0.24 0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.24 2kl3 h ASP 69 Cb 0.89 0.18 -0.00 0.00 0.18 0.00 0.00 39.33 40.57 2kl3 h ASP 69 CO 0.38 -0.13 -0.11 -0.08 -3.12 0.00 0.00 179.24 176.17 2kl3 h GLU 70 N -0.09 -0.27 -0.74 3.56 4.81 -1.99 -0.56 114.58 119.29 2kl3 h GLU 70 Ca 0.10 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2kl3 h GLU 70 Cb 0.24 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.64 2kl3 h GLU 70 CO -0.23 -0.18 0.48 0.37 -0.73 0.00 0.00 179.01 178.72 2kl3 h GLN 71 N -0.28 0.94 0.21 1.92 4.15 -1.97 0.10 115.11 120.18 2kl3 h GLN 71 Ca -0.02 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.36 2kl3 h GLN 71 Cb 0.24 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 2kl3 h GLN 71 CO 0.01 0.62 -0.25 1.15 -1.93 0.00 0.00 178.83 178.44 2kl3 h THR 72 N 0.97 0.46 -0.56 2.39 2.02 -1.07 -0.86 112.91 116.26 2kl3 h THR 72 Ca 0.28 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.38 2kl3 h THR 72 Cb -0.06 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 2kl3 h THR 72 CO -0.08 0.00 -0.00 -1.28 0.37 0.00 0.00 175.52 174.53 2kl3 h SER 73 N -0.51 0.93 -0.26 4.18 0.87 -0.88 -2.25 113.55 115.63 2kl3 h SER 73 Ca 0.01 -0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.29 2kl3 h SER 73 Cb 0.49 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 2kl3 h SER 73 CO -0.08 0.99 0.06 -0.61 -0.53 0.00 0.00 176.83 176.65 2kl3 h GLN 74 N 0.88 0.42 -0.24 2.24 4.15 -0.67 0.23 115.11 122.12 2kl3 h GLN 74 Ca 0.16 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 2kl3 h GLN 74 Cb 0.52 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 2kl3 h GLN 74 CO 0.03 0.52 0.15 0.00 -1.93 0.00 0.00 178.83 177.59 2kl3 h ALA 75 N 0.88 0.31 -0.95 3.38 0.00 -1.10 -1.83 119.26 119.94 2kl3 h ALA 75 Ca 0.08 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.04 2kl3 h ALA 75 Cb 0.29 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 2kl3 h ALA 75 CO 0.00 -0.19 0.61 0.28 0.00 0.00 0.00 179.25 179.96 2kl3 h VAL 76 N 0.30 1.00 -0.65 0.00 2.07 -1.29 -0.99 116.25 116.69 2kl3 h VAL 76 Ca 0.09 -0.35 0.08 0.00 0.82 0.00 0.00 66.70 67.34 2kl3 h VAL 76 Cb 0.02 -0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 29.62 2kl3 h VAL 76 CO -0.02 0.19 0.33 -1.13 0.02 0.00 0.00 177.57 176.96 2kl3 h ASN 77 N 1.01 0.44 -0.45 0.57 -1.24 -0.35 -0.19 115.58 115.38 2kl3 h ASN 77 Ca 0.44 0.05 -0.05 0.00 0.71 0.00 0.00 56.30 57.45 2kl3 h ASN 77 Cb 0.34 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.33 2kl3 h ASN 77 CO -0.19 0.27 0.11 -0.07 -1.29 0.00 0.00 177.43 176.26 2kl3 h LEU 78 N 0.59 0.73 -0.01 0.34 3.38 -0.40 0.10 115.31 120.04 2kl3 h LEU 78 Ca 0.31 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2kl3 h LEU 78 Cb 0.28 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2kl3 h LEU 78 CO -0.23 0.73 -0.07 -0.07 0.09 0.00 0.00 178.44 178.90 2kl3 h LEU 79 N 0.76 0.07 -1.74 1.67 3.38 -0.87 -2.37 115.31 116.21 2kl3 h LEU 79 Ca 0.17 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 2kl3 h LEU 79 Cb 0.30 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2kl3 h LEU 79 CO 0.00 0.77 0.04 0.08 0.09 0.00 0.00 178.44 179.42 2kl3 h ARG 80 N -0.62 0.20 -0.04 1.13 0.11 -0.99 0.11 114.38 114.28 2kl3 h ARG 80 Ca -0.01 -0.02 -0.06 0.00 0.10 0.00 0.00 59.98 59.99 2kl3 h ARG 80 Cb 0.77 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.80 2kl3 h ARG 80 CO 0.01 0.19 -0.25 1.03 0.10 0.00 0.00 179.97 181.05 2kl3 h SER 81 N 0.21 0.07 0.16 0.08 0.87 -0.80 -2.61 113.55 111.53 2kl3 h SER 81 Ca 0.05 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2kl3 h SER 81 Cb 0.08 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2kl3 h SER 81 CO -0.00 0.33 -0.01 0.00 -0.53 0.00 0.00 176.83 176.61 2kl3 n ALA 82 N -2.49 2.64 -0.22 6.23 0.00 0.33 -4.89 120.51 122.11 2kl3 n ALA 82 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2kl3 n ALA 82 Cb 0.32 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 1.11 0.84 3.61 0.00 0.00 -0.98 -5.03 105.19 104.73 2kl3 n GLY 83 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 2kl3 n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kl3 s PHE 84 N -2.08 1.77 0.06 1.61 0.40 -0.94 -4.89 117.98 113.92 2kl3 s PHE 84 Ca 0.00 0.54 -0.29 0.00 -0.60 0.00 0.00 56.93 56.59 2kl3 s PHE 84 Cb 0.00 -4.08 -0.17 0.00 0.51 0.00 0.00 43.02 39.28 2kl3 s PHE 84 CO 0.00 -3.21 1.57 0.93 0.70 0.00 0.00 175.22 175.20 2kl3 h GLU 85 N 12.54 -0.54 -3.70 0.44 5.08 -0.60 -3.39 114.58 124.42 2kl3 h GLU 85 Ca -0.35 0.04 -0.79 0.00 -1.00 0.00 0.00 59.36 57.25 2kl3 h GLU 85 Cb 1.18 0.12 -0.27 0.00 0.50 0.00 0.00 28.75 30.28 2kl3 h GLU 85 CO 1.01 -0.31 0.24 -1.01 -1.00 0.00 0.00 179.01 177.94 2kl3 s HIS 86 N -5.76 3.99 -0.05 4.33 3.76 -1.06 -4.99 115.29 115.50 2kl3 s HIS 86 Ca -0.16 -2.33 0.01 0.00 -0.15 0.00 0.00 55.06 52.43 2kl3 s HIS 86 Cb 0.04 -3.81 0.02 0.00 1.11 0.00 0.00 32.58 29.94 2kl3 s HIS 86 CO 0.61 -0.97 -0.06 0.08 -0.85 0.00 0.00 174.74 173.55 2kl3 s VAL 87 N -0.50 0.69 0.01 -0.90 1.01 -1.26 -0.32 120.40 119.14 2kl3 s VAL 87 Ca 0.24 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.05 2kl3 s VAL 87 Cb -0.10 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 2kl3 s VAL 87 CO -0.09 0.26 -0.13 -0.44 0.00 0.00 0.00 175.10 174.70 2kl3 s SER 88 N 0.88 1.55 -0.24 3.32 0.01 -0.54 -4.88 113.70 113.79 2kl3 s SER 88 Ca -0.12 -0.34 -0.29 0.00 1.31 0.00 0.00 55.95 56.52 2kl3 s SER 88 Cb -0.15 -0.13 0.01 0.00 0.21 0.00 0.00 66.02 65.96 2kl3 s SER 88 CO 0.01 0.09 1.08 -1.61 0.41 0.00 0.00 173.24 173.22 2kl3 s GLU 89 N -0.70 4.21 -0.32 12.44 2.02 0.40 -2.00 118.70 134.75 2kl3 s GLU 89 Ca 0.03 1.35 -0.29 0.00 0.02 0.00 0.00 54.97 56.08 2kl3 s GLU 89 Cb -0.06 -3.68 0.01 0.00 0.10 0.00 0.00 34.13 30.49 2kl3 s GLU 89 CO 0.00 -0.70 1.25 -1.17 0.02 0.00 0.00 175.26 174.66 2kl3 s LEU 90 N 3.35 3.86 -0.19 1.80 2.96 -0.55 -0.07 118.68 129.84 2kl3 s LEU 90 Ca 0.46 1.10 -0.29 0.00 -0.22 0.00 0.00 54.13 55.18 2kl3 s LEU 90 Cb -0.15 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 2kl3 s LEU 90 CO 0.09 -1.07 1.50 -0.54 -1.32 0.00 0.00 176.35 175.02 2kl3 s LYS 91 N 4.12 3.97 0.00 1.98 1.02 -0.01 -3.27 119.74 127.54 2kl3 s LYS 91 Ca 0.54 1.68 0.00 0.00 0.02 0.00 0.00 55.97 58.21 2kl3 s LYS 91 Cb -0.15 -3.95 0.00 0.00 -0.52 0.00 0.00 37.83 33.21 2kl3 s LYS 91 CO 0.23 -1.08 0.00 0.41 -0.92 0.00 0.00 175.35 173.99 2kl3 n GLY 92 N 4.31 2.41 7.00 -3.33 0.00 -1.26 -4.10 105.19 110.22 2kl3 n GLY 92 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.39 -0.07 0.23 -0.02 0.00 -1.20 -3.00 105.19 99.73 2kl3 n GLY 93 Ca 0.00 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 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 0.84 -1.04 0.99 5.85 -1.87 -2.79 115.31 117.28 2kl3 h LEU 94 Ca 0.00 -0.47 0.18 0.00 0.84 0.00 0.00 57.88 58.43 2kl3 h LEU 94 Cb 0.00 -0.24 -0.10 0.00 0.37 0.00 0.00 40.66 40.69 2kl3 h LEU 94 CO 0.00 1.14 0.62 0.00 -0.34 0.00 0.00 178.44 179.85 2kl3 h ALA 95 N 0.73 1.68 0.06 1.25 0.00 -1.93 0.13 119.26 121.17 2kl3 h ALA 95 Ca 0.05 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kl3 h ALA 95 Cb 0.90 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2kl3 h ALA 95 CO 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 179.25 179.27 2kl3 h ALA 96 N 1.62 -0.08 -0.93 0.00 0.00 -1.44 0.29 119.26 118.73 2kl3 h ALA 96 Ca 0.56 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.48 2kl3 h ALA 96 Cb 0.84 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.56 2kl3 h ALA 96 CO -0.35 -0.36 0.50 2.35 0.00 0.00 0.00 179.25 181.39 2kl3 h TRP 97 N -0.44 0.87 0.08 0.00 2.91 -1.08 -0.53 115.95 117.76 2kl3 h TRP 97 Ca -0.01 0.04 -0.27 0.00 1.13 0.00 0.00 58.89 59.78 2kl3 h TRP 97 Cb 0.39 -0.24 0.01 0.00 -0.51 0.00 0.00 29.16 28.81 2kl3 h TRP 97 CO 0.04 0.13 -1.14 0.87 -1.03 0.00 0.00 178.44 177.32 2kl3 h LYS 98 N 0.61 0.46 -0.78 2.65 1.57 -0.68 0.21 116.57 120.61 2kl3 h LYS 98 Ca 0.55 -0.61 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 2kl3 h LYS 98 Cb 0.90 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 2kl3 h LYS 98 CO -0.42 1.24 0.31 0.00 -0.57 0.00 0.00 179.45 180.01 2kl3 h ALA 99 N 0.52 1.01 0.00 3.86 0.00 0.42 -1.32 119.26 123.76 2kl3 h ALA 99 Ca -0.14 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2kl3 h ALA 99 Cb 1.81 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2kl3 h ALA 99 CO 0.20 0.64 0.00 0.44 0.00 0.00 0.00 179.25 180.53 2kl3 n ILE 100 N -4.30 0.00 -2.58 0.00 -5.35 -0.29 -4.88 119.36 101.97 2kl3 n ILE 100 Ca 0.07 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.51 2kl3 n ILE 100 Cb 0.19 -0.51 0.01 0.00 -1.74 0.00 0.00 39.64 37.59 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 0.58 0.59 3.88 3.28 0.00 -0.50 -5.06 105.19 107.96 2kl3 n GLY 101 Ca 0.16 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 2kl3 n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kl3 s GLY 102 N -3.10 1.97 0.15 -0.02 0.00 0.74 -5.01 107.32 102.04 2kl3 s GLY 102 Ca 0.08 -0.28 -0.30 0.00 0.00 0.00 0.00 44.72 44.21 2kl3 s GLY 102 CO 0.13 -0.11 1.24 2.56 0.00 0.00 0.00 173.10 176.92 2kl3 s PRO 103 N -3.64 4.44 0.15 2.90 0.04 -1.26 -4.66 135.00 132.97 2kl3 s PRO 103 Ca 0.49 1.91 0.04 0.00 0.04 0.00 0.00 61.00 63.48 2kl3 s PRO 103 Cb -0.10 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 2kl3 s PRO 103 CO 0.29 -0.21 -0.09 0.95 0.04 0.00 0.00 177.00 177.98 2kl3 s THR 104 N 0.42 1.15 0.33 1.26 -4.23 -1.26 -2.10 115.64 111.20 2kl3 s THR 104 Ca 0.57 -2.06 0.04 0.00 -1.18 0.00 0.00 61.69 59.06 2kl3 s THR 104 Cb -0.33 -1.89 -0.06 0.00 1.34 0.00 0.00 72.50 71.56 2kl3 s THR 104 CO 0.34 -0.71 0.05 -1.61 -0.54 0.00 0.00 174.62 172.14 2kl3 s GLU 105 N -3.76 1.66 0.00 3.99 2.02 0.41 -4.67 118.70 118.35 2kl3 s GLU 105 Ca 0.18 -1.92 0.00 0.00 0.02 0.00 0.00 54.97 53.25 2kl3 s GLU 105 Cb 0.03 -0.95 0.00 0.00 0.10 0.00 0.00 34.13 33.31 2kl3 s GLU 105 CO 0.01 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.54 2kl3 n GLY 106 N -0.70 0.52 0.12 -1.39 0.00 -1.26 -0.35 105.19 102.13 2kl3 n GLY 106 Ca -0.03 -1.85 -0.21 0.00 0.00 0.00 0.00 46.02 43.93 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 0.74 1.51 0.22 -0.61 5.41 0.17 -4.45 119.36 122.36 2kl3 n ILE 107 Ca 0.00 -0.14 0.05 0.00 1.00 0.00 0.00 62.75 63.66 2kl3 n ILE 107 Cb 0.00 -2.07 0.49 0.00 -0.71 0.00 0.00 39.64 37.36 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 1.12 0.00 1.39 5.03 -0.45 -1.33 117.51 122.27 2kl3 h ILE 108 Ca -0.41 -0.73 0.00 0.00 -0.12 0.00 0.00 64.86 63.60 2kl3 h ILE 108 Cb 1.31 1.40 0.00 0.00 -3.03 0.00 0.00 36.82 36.50 2kl3 h ILE 108 CO -0.25 0.21 0.10 -0.33 -0.68 0.00 0.00 178.15 177.20 2kl3 h GLU 109 N 0.00 0.00 -0.20 2.37 4.39 -1.73 0.18 114.58 119.59 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 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 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 -2.37 2.77 -4.71 1.42 7.64 -0.50 -4.98 113.62 112.88 2kl3 n SER 110 Ca -0.02 -1.81 -0.36 0.00 1.01 0.00 0.00 58.87 57.69 2kl3 n SER 110 Cb 0.14 -0.12 -0.07 0.00 -1.01 0.00 0.00 64.21 63.14 2kl3 n SER 110 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2kl3 s ARG 111 N -1.28 4.23 -0.27 1.43 0.52 0.05 -5.08 118.95 118.55 2kl3 s ARG 111 Ca 0.25 0.05 -0.12 0.00 -0.52 0.00 0.00 55.73 55.40 2kl3 s ARG 111 Cb 0.16 -3.45 -0.05 0.00 0.52 0.00 0.00 34.95 32.13 2kl3 s ARG 111 CO 0.22 0.19 0.21 0.95 0.02 0.00 0.00 175.30 176.90 2kl3 s THR 112 N 0.63 5.30 -0.52 0.02 -4.23 -1.26 -5.05 115.64 110.53 2kl3 s THR 112 Ca 0.15 0.24 -0.24 0.00 -1.18 0.00 0.00 61.69 60.66 2kl3 s THR 112 Cb -0.13 -3.55 0.04 0.00 1.34 0.00 0.00 72.50 70.19 2kl3 s THR 112 CO 0.04 0.26 0.91 -2.16 -0.54 0.00 0.00 174.62 173.13 2kl3 s PRO 113 N 1.65 3.38 0.03 3.99 0.05 -1.26 -5.04 135.00 137.80 2kl3 s PRO 113 Ca 0.09 -0.15 0.03 0.00 0.05 0.00 0.00 61.00 61.01 2kl3 s PRO 113 Cb -0.15 -4.01 -0.02 0.00 0.05 0.00 0.00 34.50 30.37 2kl3 s PRO 113 CO 0.09 -1.37 -0.10 0.00 0.05 0.00 0.00 177.00 175.68 2kl3 s ALA 114 N 3.79 0.78 0.00 8.56 0.00 -1.26 -5.16 121.76 128.47 2kl3 s ALA 114 Ca 0.32 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2kl3 s ALA 114 Cb -0.12 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.90 2kl3 s ALA 114 CO 0.21 0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.50 2kl3 n GLY 115 N 2.10 3.64 0.00 0.00 0.00 -1.26 -5.16 105.19 104.51 2kl3 n GLY 115 Ca -0.18 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.83 2kl3 n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kl3 n ALA 116 N -3.00 0.00 -0.76 4.61 0.00 -1.26 -5.17 120.51 114.94 2kl3 n ALA 116 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2kl3 n ALA 116 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 2kl3 n ALA 116 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kl3 n ASP 117 N 0.00 -1.43 -0.09 0.00 9.92 -1.26 -5.06 116.55 118.64 2kl3 n ASP 117 Ca 0.00 0.35 0.00 0.00 -0.53 0.00 0.00 54.79 54.61 2kl3 n ASP 117 Cb 0.00 -1.28 0.00 0.00 -0.64 0.00 0.00 41.12 39.20 2kl3 n ASP 117 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2kl3 n ASP 118 N -2.15 0.00 -0.29 -2.24 8.00 -1.26 -4.99 116.55 113.62 2kl3 n ASP 118 Ca 0.08 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.66 2kl3 n ASP 118 Cb 0.53 0.00 0.31 0.00 -0.02 0.00 0.00 41.12 41.94 2kl3 n ASP 118 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2kl3 h TYR 119 N 0.00 0.94 0.00 1.24 -0.00 -2.10 -3.45 116.97 113.60 2kl3 h TYR 119 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.76 2kl3 h TYR 119 Cb 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 36.73 36.43 2kl3 h TYR 119 CO 0.00 0.41 0.00 0.09 -0.00 0.00 0.00 178.16 178.66 2kl3 n ASN 120 N -4.55 0.00 -2.55 0.10 3.02 -1.26 -4.86 115.26 105.17 2kl3 n ASN 120 Ca 0.16 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.68 2kl3 n ASN 120 Cb 0.35 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.49 2kl3 n ASN 120 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2kl3 n VAL 121 N 0.00-10.18 -0.26 2.41 0.31 -1.26 -4.89 118.33 104.46 2kl3 n VAL 121 Ca 0.00 2.26 -0.05 0.00 -0.01 0.00 0.00 64.34 66.54 2kl3 n VAL 121 Cb 0.00 -5.36 0.06 0.00 -0.91 0.00 0.00 33.84 27.62 2kl3 n VAL 121 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 2kl3 h VAL 122 N 4.32 1.21 -1.59 2.52 3.04 -2.04 -3.48 116.25 120.23 2kl3 h VAL 122 Ca -0.27 -0.45 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 2kl3 h VAL 122 Cb 0.61 0.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.08 2kl3 h VAL 122 CO 0.00 0.21 0.00 -0.24 -1.01 0.00 0.00 177.57 176.54 2kl3 n SER 123 N -4.52 -4.77 -0.94 3.17 2.88 -1.26 -5.00 113.62 103.18 2kl3 n SER 123 Ca 0.07 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.71 2kl3 n SER 123 Cb 0.05 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.49 2kl3 n SER 123 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kl3 n ARG 124 N -1.20 -1.51 -2.84 -1.46 1.74 -1.26 -4.91 116.66 105.22 2kl3 n ARG 124 Ca 0.00 1.00 -0.22 0.00 -0.77 0.00 0.00 57.85 57.86 2kl3 n ARG 124 Cb 0.00 -1.84 0.02 0.00 -1.02 0.00 0.00 32.46 29.62 2kl3 n ARG 124 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2kl3 n LEU 125 N 0.00 -2.38 0.26 0.55 7.94 -1.26 -4.87 117.00 117.23 2kl3 n LEU 125 Ca 0.01 -0.20 0.14 0.00 -1.11 0.00 0.00 56.01 54.85 2kl3 n LEU 125 Cb 0.34 -2.92 0.65 0.00 0.53 0.00 0.00 43.42 42.03 2kl3 n LEU 125 CO 0.01 0.09 0.94 1.05 -1.11 0.00 0.00 177.39 178.36 2kl3 h GLU 126 N -0.93 0.00 -2.72 1.96 4.11 -2.04 -3.49 114.58 111.48 2kl3 h GLU 126 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2kl3 h GLU 126 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2kl3 h GLU 126 CO 0.57 0.10 -0.65 0.72 0.07 0.00 0.00 179.01 179.82 2kl3 n HIS 127 N -3.28 -3.21 -3.62 2.06 8.25 -1.26 -5.05 115.22 109.11 2kl3 n HIS 127 Ca -0.00 1.69 -0.23 0.00 -0.26 0.00 0.00 57.72 58.92 2kl3 n HIS 127 Cb 0.32 -2.91 -0.17 0.00 1.12 0.00 0.00 29.99 28.35 2kl3 n HIS 127 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kl3 s HIS 128 N -2.21 0.06 0.14 4.41 3.76 -1.26 -5.06 115.29 115.12 2kl3 s HIS 128 Ca 0.00 0.00 -0.15 0.00 -0.15 0.00 0.00 55.06 54.76 2kl3 s HIS 128 Cb 0.00 -0.55 0.01 0.00 1.11 0.00 0.00 32.58 33.14 2kl3 s HIS 128 CO 0.00 -0.41 1.67 1.25 -0.85 0.00 0.00 174.74 176.40 2kl3 h HIS 129 N 8.41 0.69 -2.89 1.40 2.76 -2.06 -3.49 115.15 119.96 2kl3 h HIS 129 Ca -0.14 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 57.96 2kl3 h HIS 129 Cb 1.14 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.90 2kl3 h HIS 129 CO 0.27 0.62 -0.75 0.72 -1.30 0.00 0.00 177.93 177.49 2kl3 n HIS 130 N -4.58 -3.34 0.03 5.26 8.25 -1.26 -5.08 115.22 114.50 2kl3 n HIS 130 Ca 0.00 1.81 0.00 0.00 -0.26 0.00 0.00 57.72 59.27 2kl3 n HIS 130 Cb 0.17 -2.92 0.00 0.00 1.12 0.00 0.00 29.99 28.37 2kl3 n HIS 130 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kl3 n HIS 131 N -2.21 -2.73 -0.63 4.41 -0.00 -1.26 -5.35 115.22 107.45 2kl3 n HIS 131 Ca 0.00 0.18 0.00 0.00 0.46 0.00 0.00 57.72 58.36 2kl3 n HIS 131 Cb 0.34 0.89 0.00 0.00 -0.12 0.00 0.00 29.99 31.09 2kl3 n HIS 131 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52