#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 4.43 0.43 2.12 2.02 -1.26 -4.97 118.70 121.46 2kl3 s GLU 2 Ca 0.00 1.18 0.09 0.00 0.02 0.00 0.00 54.97 56.26 2kl3 s GLU 2 Cb 0.00 -2.67 0.92 0.00 0.10 0.00 0.00 34.13 32.48 2kl3 s GLU 2 CO 0.00 0.23 2.05 -1.35 0.02 0.00 0.00 175.26 176.21 2kl3 h PRO 3 N 2.91 0.38 -5.04 0.39 0.11 -1.97 -3.42 132.00 125.36 2kl3 h PRO 3 Ca -0.47 -0.03 -0.60 0.00 0.11 0.00 0.00 66.00 65.00 2kl3 h PRO 3 Cb 1.19 -0.08 -0.33 0.00 0.11 0.00 0.00 31.00 31.89 2kl3 h PRO 3 CO 0.64 0.30 -0.85 -0.65 -0.21 0.00 0.00 178.00 177.23 2kl3 s GLN 4 N -5.26 2.31 -0.10 1.05 -0.21 -1.26 -1.32 119.66 114.87 2kl3 s GLN 4 Ca -0.07 -0.65 0.01 0.00 0.02 0.00 0.00 55.36 54.67 2kl3 s GLN 4 Cb 0.17 -1.83 -0.02 0.00 1.00 0.00 0.00 33.01 32.33 2kl3 s GLN 4 CO 0.72 0.13 -0.14 0.45 -2.12 0.00 0.00 175.29 174.34 2kl3 s SER 5 N 0.41 3.99 0.59 5.90 0.15 0.20 -4.91 113.70 120.04 2kl3 s SER 5 Ca -0.15 -0.29 -0.15 0.00 0.70 0.00 0.00 55.95 56.07 2kl3 s SER 5 Cb -0.16 -1.33 -0.04 0.00 -1.71 0.00 0.00 66.02 62.77 2kl3 s SER 5 CO 0.06 0.23 1.03 -0.62 1.20 0.00 0.00 173.24 175.14 2kl3 s ASP 6 N -0.04 6.02 0.05 5.45 -1.08 -1.26 -0.91 116.67 124.91 2kl3 s ASP 6 Ca -0.03 1.67 -0.26 0.00 -0.52 0.00 0.00 52.55 53.41 2kl3 s ASP 6 Cb -0.14 -2.51 -0.17 0.00 -1.46 0.00 0.00 42.92 38.64 2kl3 s ASP 6 CO 0.04 -1.00 1.55 0.00 0.52 0.00 0.00 175.17 176.27 2kl3 h ALA 7 N 0.34 -0.26 0.00 3.66 0.00 -1.94 -2.03 119.26 119.03 2kl3 h ALA 7 Ca -0.46 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 2kl3 h ALA 7 Cb 1.20 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2kl3 h ALA 7 CO 0.59 -0.58 -0.50 1.12 0.00 0.00 0.00 179.25 179.88 2kl3 h HIS 8 N -0.40 0.00 -0.09 0.00 2.07 -1.95 0.23 115.15 115.01 2kl3 h HIS 8 Ca -0.03 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.49 2kl3 h HIS 8 Cb 0.31 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.29 2kl3 h HIS 8 CO -0.02 0.50 0.05 0.28 -3.07 0.00 0.00 177.93 175.67 2kl3 h VAL 9 N 0.00 1.05 -0.39 6.12 2.07 -1.95 0.16 116.25 123.31 2kl3 h VAL 9 Ca -0.00 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 2kl3 h VAL 9 Cb 1.13 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 2kl3 h VAL 9 CO 0.06 0.04 -0.03 0.25 0.02 0.00 0.00 177.57 177.92 2kl3 h LEU 10 N 0.09 0.70 -0.72 2.57 5.85 -1.26 -0.26 115.31 122.27 2kl3 h LEU 10 Ca 0.03 -0.32 0.08 0.00 0.84 0.00 0.00 57.88 58.51 2kl3 h LEU 10 Cb 0.02 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.80 2kl3 h LEU 10 CO -0.01 0.85 0.39 0.50 -0.34 0.00 0.00 178.44 179.84 2kl3 h LYS 11 N 0.52 0.66 -0.05 1.25 3.64 -0.83 0.32 116.57 122.08 2kl3 h LYS 11 Ca 0.11 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.24 2kl3 h LYS 11 Cb 0.51 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2kl3 h LYS 11 CO 0.03 0.44 -0.83 0.77 -2.27 0.00 0.00 179.45 177.59 2kl3 h SER 12 N 0.68 0.56 0.30 4.20 0.02 -0.61 -1.35 113.55 117.35 2kl3 h SER 12 Ca 0.34 -0.40 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 2kl3 h SER 12 Cb 0.30 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2kl3 h SER 12 CO -0.23 1.17 -0.19 -0.09 -1.14 0.00 0.00 176.83 176.35 2kl3 h ARG 13 N 0.29 0.00 0.09 3.45 2.43 -0.44 0.36 114.38 120.55 2kl3 h ARG 13 Ca -0.05 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2kl3 h ARG 13 Cb 1.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.98 2kl3 h ARG 13 CO 0.15 0.19 -0.04 1.25 -1.51 0.00 0.00 179.97 180.00 2kl3 h LEU 14 N 0.00 -0.10 0.08 3.80 6.46 -0.04 -0.88 115.31 124.63 2kl3 h LEU 14 Ca -0.00 -0.27 -0.28 0.00 -0.12 0.00 0.00 57.88 57.21 2kl3 h LEU 14 Cb 0.39 0.03 0.01 0.00 -0.73 0.00 0.00 40.66 40.36 2kl3 h LEU 14 CO 0.02 0.50 -1.22 -0.33 -0.62 0.00 0.00 178.44 176.80 2kl3 h GLU 15 N -0.99 0.39 0.00 1.25 5.08 -1.26 -3.39 114.58 115.66 2kl3 h GLU 15 Ca -0.01 -0.59 -0.42 0.00 -1.00 0.00 0.00 59.36 57.35 2kl3 h GLU 15 Cb 0.36 0.21 -0.07 0.00 0.50 0.00 0.00 28.75 29.75 2kl3 h GLU 15 CO 0.02 1.25 -2.49 0.91 -1.00 0.00 0.00 179.01 177.70 2kl3 n TRP 16 N -3.64 0.00 0.00 4.33 7.02 0.11 -4.99 117.44 120.26 2kl3 n TRP 16 Ca -0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.38 2kl3 n TRP 16 Cb 0.99 -0.99 0.00 0.00 -2.42 0.00 0.00 31.31 28.90 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 1.88 0.39 2.78 6.99 0.00 -0.33 -4.98 105.19 111.91 2kl3 n GLY 17 Ca -0.49 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 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 0.44 0.00 1.61 2.02 -0.36 -4.94 118.70 117.47 2kl3 s GLU 18 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.12 2kl3 s GLU 18 Cb 0.00 -0.76 0.00 0.00 0.10 0.00 0.00 34.13 33.47 2kl3 s GLU 18 CO 0.00 -0.25 0.05 -2.30 0.02 0.00 0.00 175.26 172.79 2kl3 n PRO 19 N 4.82 0.08 -0.95 0.39 -0.02 -1.26 -4.38 135.00 133.68 2kl3 n PRO 19 Ca -0.13 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.24 2kl3 n PRO 19 Cb 0.50 -1.03 -0.15 0.00 -0.02 0.00 0.00 33.50 32.81 2kl3 n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kl3 n ALA 20 N 0.15 6.09 -3.14 3.55 0.00 -1.26 -4.81 120.51 121.09 2kl3 n ALA 20 Ca 0.00 -1.64 -0.12 0.00 0.00 0.00 0.00 53.44 51.68 2kl3 n ALA 20 Cb 0.01 -2.15 -0.04 0.00 0.00 0.00 0.00 19.45 17.27 2kl3 n ALA 20 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2kl3 s PHE 21 N 0.78 -0.31 -0.05 0.00 -0.71 -1.26 -4.64 117.98 111.80 2kl3 s PHE 21 Ca 0.58 0.10 0.05 0.00 -1.04 0.00 0.00 56.93 56.63 2kl3 s PHE 21 Cb 0.28 0.32 -0.01 0.00 -1.21 0.00 0.00 43.02 42.41 2kl3 s PHE 21 CO -0.01 -0.70 -0.22 0.99 -1.34 0.00 0.00 175.22 173.94 2kl3 s THR 22 N -3.40 1.82 -0.13 -4.49 2.01 -0.17 -5.03 115.64 106.24 2kl3 s THR 22 Ca 0.00 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 2kl3 s THR 22 Cb 0.01 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 2kl3 s THR 22 CO -0.09 0.51 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.69 2kl3 s ILE 23 N -0.06 3.99 -0.11 1.82 1.09 -1.26 -0.59 121.20 126.08 2kl3 s ILE 23 Ca -0.05 -0.34 0.03 0.00 -1.10 0.00 0.00 60.65 59.19 2kl3 s ILE 23 Cb -0.13 -2.72 -0.01 0.00 -1.06 0.00 0.00 42.46 38.55 2kl3 s ILE 23 CO 0.03 0.54 -0.20 -0.76 -0.10 0.00 0.00 174.94 174.45 2kl3 s LEU 24 N -0.12 2.31 -0.91 2.97 1.43 -0.61 -1.82 118.68 121.92 2kl3 s LEU 24 Ca 0.03 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 52.43 2kl3 s LEU 24 Cb -0.13 -1.48 0.07 0.00 0.03 0.00 0.00 46.19 44.68 2kl3 s LEU 24 CO 0.02 0.16 1.28 -1.81 0.23 0.00 0.00 176.35 176.24 2kl3 s ASP 25 N 0.35 6.45 0.00 2.29 1.11 -0.76 -2.60 116.67 123.50 2kl3 s ASP 25 Ca -0.16 -1.40 0.27 0.00 0.18 0.00 0.00 52.55 51.44 2kl3 s ASP 25 Cb -0.17 -2.51 0.94 0.00 1.07 0.00 0.00 42.92 42.25 2kl3 s ASP 25 CO 0.08 -1.44 1.71 1.33 1.18 0.00 0.00 175.17 178.03 2kl3 n VAL 26 N 6.34 0.00 0.00 -1.27 0.24 -0.98 -3.08 118.33 119.58 2kl3 n VAL 26 Ca 0.22 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.51 2kl3 n VAL 26 Cb 0.50 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 2kl3 n VAL 26 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2kl3 n ARG 27 N -1.44 0.00 0.00 7.34 1.85 -1.25 -1.23 116.66 121.94 2kl3 n ARG 27 Ca 0.07 0.55 0.00 0.00 -1.00 0.00 0.00 57.85 57.47 2kl3 n ARG 27 Cb 0.33 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.26 2kl3 n ARG 27 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2kl3 n ASP 28 N -2.07 0.00 0.20 2.89 2.03 -1.26 -4.47 116.55 113.86 2kl3 n ASP 28 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 2kl3 n ASP 28 Cb 0.00 0.00 0.41 0.00 -0.72 0.00 0.00 41.12 40.81 2kl3 n ASP 28 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 2kl3 h ARG 29 N 0.00 0.00 0.18 -0.67 -0.00 -1.95 0.32 114.38 112.26 2kl3 h ARG 29 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.97 2kl3 h ARG 29 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 2kl3 h ARG 29 CO 0.00 0.33 -0.09 0.66 -0.00 0.00 0.00 179.97 180.87 2kl3 h SER 30 N 0.00 -0.21 -0.69 0.08 4.64 -1.98 0.35 113.55 115.73 2kl3 h SER 30 Ca -0.00 -0.26 -0.04 0.00 -0.47 0.00 0.00 61.79 61.02 2kl3 h SER 30 Cb 0.62 0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.73 2kl3 h SER 30 CO 0.04 0.18 0.30 0.74 -0.87 0.00 0.00 176.83 177.22 2kl3 h THR 31 N -0.63 1.24 -0.45 2.95 2.02 -1.91 -1.08 112.91 115.06 2kl3 h THR 31 Ca -0.03 -0.72 0.01 0.00 0.77 0.00 0.00 66.41 66.44 2kl3 h THR 31 Cb 0.46 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 2kl3 h THR 31 CO 0.04 0.30 0.29 0.22 0.37 0.00 0.00 175.52 176.74 2kl3 h TYR 32 N 1.02 0.56 -0.49 3.16 3.20 -0.25 0.61 116.97 124.77 2kl3 h TYR 32 Ca 0.24 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 2kl3 h TYR 32 Cb 0.17 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 2kl3 h TYR 32 CO 0.01 0.35 0.21 -0.91 -1.64 0.00 0.00 178.16 176.18 2kl3 h ASN 33 N 0.60 0.68 -0.52 -2.11 2.35 -0.08 -2.74 115.58 113.75 2kl3 h ASN 33 Ca 0.16 -0.16 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 2kl3 h ASN 33 Cb -0.07 -0.18 -0.07 0.00 0.05 0.00 0.00 38.32 38.06 2kl3 h ASN 33 CO -0.04 0.65 0.11 -0.78 -1.65 0.00 0.00 177.43 175.73 2kl3 h ASP 34 N 0.66 0.01 -2.73 5.81 1.82 -0.85 0.40 116.42 121.54 2kl3 h ASP 34 Ca 0.17 0.09 0.11 0.00 -0.39 0.00 0.00 57.03 57.01 2kl3 h ASP 34 Cb 0.18 0.12 -0.28 0.00 0.68 0.00 0.00 39.33 40.04 2kl3 h ASP 34 CO -0.02 0.03 0.51 -0.83 -1.61 0.00 0.00 179.24 177.33 2kl3 s GLY 35 N -3.08 0.03 0.34 -0.78 0.00 0.18 -1.43 107.32 102.57 2kl3 s GLY 35 Ca -0.13 3.05 -0.17 0.00 0.00 0.00 0.00 44.72 47.47 2kl3 s GLY 35 CO 0.73 2.18 0.74 -2.38 0.00 0.00 0.00 173.10 174.38 2kl3 s HIS 36 N 0.65 0.06 0.28 1.90 -3.43 0.11 -4.16 115.29 110.69 2kl3 s HIS 36 Ca -0.01 -0.63 -0.29 0.00 -0.80 0.00 0.00 55.06 53.32 2kl3 s HIS 36 Cb -0.04 0.74 -0.10 0.00 -1.43 0.00 0.00 32.58 31.75 2kl3 s HIS 36 CO -0.11 -1.42 1.23 0.42 -2.00 0.00 0.00 174.74 172.85 2kl3 s ILE 37 N -2.94 3.12 -0.12 -5.38 1.01 -1.26 -0.26 121.20 115.37 2kl3 s ILE 37 Ca 0.15 1.07 -0.29 0.00 0.00 0.00 0.00 60.65 61.58 2kl3 s ILE 37 Cb -0.05 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 2kl3 s ILE 37 CO 0.10 0.23 1.86 -0.32 0.00 0.00 0.00 174.94 176.82 2kl3 s MET 38 N -1.27 3.80 0.00 2.79 -2.45 -0.15 -1.32 119.30 120.70 2kl3 s MET 38 Ca 0.49 2.10 0.00 0.00 -1.25 0.00 0.00 55.69 57.03 2kl3 s MET 38 Cb -0.36 -4.14 0.00 0.00 1.25 0.00 0.00 34.83 31.58 2kl3 s MET 38 CO 0.45 -1.31 0.00 0.41 1.05 0.00 0.00 175.02 175.62 2kl3 n GLY 39 N 4.80 0.30 3.84 2.11 0.00 -1.26 -4.96 105.19 110.02 2kl3 n GLY 39 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 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 2.97 0.08 4.61 0.00 -0.43 -4.59 121.76 122.40 2kl3 s ALA 40 Ca 0.00 0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.15 2kl3 s ALA 40 Cb 0.00 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 2kl3 s ALA 40 CO 0.00 -0.60 -0.17 0.00 0.00 0.00 0.00 175.76 174.98 2kl3 s MET 41 N -4.54 0.96 -0.51 0.00 0.23 -0.76 -4.96 119.30 109.72 2kl3 s MET 41 Ca 0.58 -1.04 -0.28 0.00 -1.03 0.00 0.00 55.69 53.92 2kl3 s MET 41 Cb -0.12 -1.08 0.00 0.00 -1.53 0.00 0.00 34.83 32.10 2kl3 s MET 41 CO 0.42 0.25 1.57 0.00 -2.03 0.00 0.00 175.02 175.23 2kl3 s ALA 42 N -1.21 2.73 -0.45 3.16 0.00 -1.26 -1.82 121.76 122.90 2kl3 s ALA 42 Ca 0.02 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.59 2kl3 s ALA 42 Cb -0.10 -4.10 0.17 0.00 0.00 0.00 0.00 23.12 19.08 2kl3 s ALA 42 CO 0.03 -2.99 0.35 -1.64 0.00 0.00 0.00 175.76 171.50 2kl3 s MET 43 N 5.76 1.12 0.37 0.00 -1.94 -1.18 -4.96 119.30 118.47 2kl3 s MET 43 Ca 0.61 -2.21 -0.28 0.00 -1.71 0.00 0.00 55.69 52.10 2kl3 s MET 43 Cb -0.14 -1.75 -0.11 0.00 2.01 0.00 0.00 34.83 34.85 2kl3 s MET 43 CO 0.27 -1.34 1.46 -2.14 -0.01 0.00 0.00 175.02 173.26 2kl3 s PRO 44 N -0.05 4.15 0.61 2.03 0.02 -1.21 -3.64 135.00 136.91 2kl3 s PRO 44 Ca 0.29 2.52 0.25 0.00 0.02 0.00 0.00 61.00 64.09 2kl3 s PRO 44 Cb -0.01 -2.98 1.17 0.00 0.02 0.00 0.00 34.50 32.69 2kl3 s PRO 44 CO -0.16 -0.49 1.62 0.97 -0.33 0.00 0.00 177.00 178.61 2kl3 h ILE 45 N 3.00 0.15 0.12 2.83 2.10 -1.39 0.43 117.51 124.75 2kl3 h ILE 45 Ca -0.50 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.43 2kl3 h ILE 45 Cb 1.24 0.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.33 2kl3 h ILE 45 CO 0.65 0.00 -0.06 -0.33 -1.08 0.00 0.00 178.15 177.33 2kl3 h GLU 46 N 0.00 -0.16 -0.02 2.19 5.08 -1.88 -3.31 114.58 116.49 2kl3 h GLU 46 Ca 0.25 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2kl3 h GLU 46 Cb 1.75 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.04 2kl3 h GLU 46 CO -0.00 -0.10 -0.09 -3.47 -1.00 0.00 0.00 179.01 174.35 2kl3 n ASP 47 N -5.16 1.99 -0.40 1.42 -0.08 0.11 -4.75 116.55 109.69 2kl3 n ASP 47 Ca -0.08 -1.50 -0.04 0.00 -1.51 0.00 0.00 54.79 51.66 2kl3 n ASP 47 Cb 0.10 0.15 -0.01 0.00 2.34 0.00 0.00 41.12 43.70 2kl3 n ASP 47 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2kl3 n LEU 48 N 0.51 -0.79 0.07 -2.67 7.94 0.84 -0.47 117.00 122.43 2kl3 n LEU 48 Ca 0.08 1.76 -0.11 0.00 -1.11 0.00 0.00 56.01 56.62 2kl3 n LEU 48 Cb 0.35 -0.34 -0.05 0.00 0.53 0.00 0.00 43.42 43.91 2kl3 n LEU 48 CO 0.12 -1.53 0.75 0.58 -1.11 0.00 0.00 177.39 176.20 2kl3 h VAL 49 N 0.00 0.59 0.13 1.96 2.07 -1.85 1.00 116.25 120.14 2kl3 h VAL 49 Ca 0.28 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.80 2kl3 h VAL 49 Cb 0.53 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2kl3 h VAL 49 CO -0.97 0.00 -0.06 0.44 0.02 0.00 0.00 177.57 177.00 2kl3 h ASP 50 N -0.30 -0.14 0.04 0.57 5.19 -1.64 -0.40 116.42 119.74 2kl3 h ASP 50 Ca 0.05 -0.06 0.03 0.00 -0.62 0.00 0.00 57.03 56.42 2kl3 h ASP 50 Cb 0.36 0.04 -0.05 0.00 0.18 0.00 0.00 39.33 39.85 2kl3 h ASP 50 CO -0.15 -0.03 -0.35 0.03 -3.12 0.00 0.00 179.24 175.63 2kl3 h ARG 51 N -0.25 -0.51 0.15 3.56 2.47 -0.64 -2.39 114.38 116.78 2kl3 h ARG 51 Ca -0.02 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.73 2kl3 h ARG 51 Cb 0.20 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 2kl3 h ARG 51 CO 0.03 -0.34 -0.07 0.00 0.56 0.00 0.00 179.97 180.15 2kl3 h ALA 52 N 0.13 -0.21 0.00 0.04 0.00 -0.78 -1.84 119.26 116.60 2kl3 h ALA 52 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2kl3 h ALA 52 Cb 0.59 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2kl3 h ALA 52 CO -0.25 -0.47 0.00 1.03 0.00 0.00 0.00 179.25 179.56 2kl3 h SER 53 N -0.51 0.00 0.00 0.00 0.87 -1.09 0.40 113.55 113.22 2kl3 h SER 53 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2kl3 h SER 53 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2kl3 h SER 53 CO 0.03 0.00 -0.18 -1.28 -0.53 0.00 0.00 176.83 174.87 2kl3 h SER 54 N 0.00 0.00 0.15 6.23 0.87 -1.16 -3.42 113.55 116.22 2kl3 h SER 54 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 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 0.44 -0.65 -1.20 -0.53 0.00 0.00 176.83 174.89 2kl3 n SER 55 N -3.93 1.11 -4.40 6.23 7.64 -0.72 -4.90 113.62 114.65 2kl3 n SER 55 Ca -0.03 -0.91 -0.32 0.00 1.01 0.00 0.00 58.87 58.62 2kl3 n SER 55 Cb 0.09 0.57 -0.14 0.00 -1.01 0.00 0.00 64.21 63.73 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 -2.81 2.42 1.00 -3.43 1.43 0.14 -5.06 118.68 112.36 2kl3 s LEU 56 Ca 0.13 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 52.74 2kl3 s LEU 56 Cb 0.17 -1.45 0.19 0.00 0.03 0.00 0.00 46.19 45.13 2kl3 s LEU 56 CO 0.71 0.32 1.12 -1.61 0.23 0.00 0.00 176.35 177.12 2kl3 s GLU 57 N -0.83 0.44 -0.03 1.70 8.01 -1.26 -4.41 118.70 122.32 2kl3 s GLU 57 Ca 0.11 0.30 0.12 0.00 0.01 0.00 0.00 54.97 55.51 2kl3 s GLU 57 Cb -0.10 -1.76 -0.23 0.00 -4.31 0.00 0.00 34.13 27.73 2kl3 s GLU 57 CO 0.01 -2.67 0.72 0.87 0.01 0.00 0.00 175.26 174.19 2kl3 h LYS 58 N -1.84 0.00 0.00 1.61 1.79 -1.94 -3.28 116.57 112.91 2kl3 h LYS 58 Ca -0.52 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 2kl3 h LYS 58 Cb 1.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 2kl3 h LYS 58 CO 0.55 0.53 -0.21 0.45 -1.08 0.00 0.00 179.45 179.70 2kl3 n SER 59 N -3.07 0.41 -4.68 0.86 2.88 -1.26 0.69 113.62 109.45 2kl3 n SER 59 Ca -0.15 0.30 -0.43 0.00 -1.33 0.00 0.00 58.87 57.26 2kl3 n SER 59 Cb 1.04 -0.30 -0.03 0.00 -0.75 0.00 0.00 64.21 64.16 2kl3 n SER 59 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2kl3 n ARG 60 N -1.77 2.75 -1.84 -1.46 3.00 -1.24 -4.56 116.66 111.54 2kl3 n ARG 60 Ca 0.06 1.00 -0.32 0.00 -0.00 0.00 0.00 57.85 58.59 2kl3 n ARG 60 Cb 0.38 -2.90 -0.04 0.00 0.00 0.00 0.00 32.46 29.90 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 3.10 4.80 -0.23 6.15 1.11 -1.26 -4.30 116.67 126.04 2kl3 s ASP 61 Ca 0.84 0.31 -0.09 0.00 0.18 0.00 0.00 52.55 53.79 2kl3 s ASP 61 Cb -0.49 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 40.92 2kl3 s ASP 61 CO 0.39 -2.81 0.11 -0.63 1.18 0.00 0.00 175.17 173.40 2kl3 s ILE 62 N 11.01 4.87 -0.27 0.77 1.01 -0.26 -1.00 121.20 137.32 2kl3 s ILE 62 Ca 0.80 0.01 -0.09 0.00 0.00 0.00 0.00 60.65 61.37 2kl3 s ILE 62 Cb -0.13 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.06 2kl3 s ILE 62 CO 0.16 0.37 0.11 -0.31 0.00 0.00 0.00 174.94 175.27 2kl3 s TYR 63 N 1.09 3.13 -0.15 3.97 1.51 0.24 -1.13 117.35 126.01 2kl3 s TYR 63 Ca 0.05 -0.34 -0.05 0.00 -1.01 0.00 0.00 57.07 55.72 2kl3 s TYR 63 Cb -0.14 -2.29 -0.03 0.00 -0.11 0.00 0.00 41.96 39.38 2kl3 s TYR 63 CO 0.04 -0.34 0.02 0.08 -1.11 0.00 0.00 175.55 174.24 2kl3 s VAL 64 N 1.64 4.45 -0.06 0.71 1.01 0.24 -1.57 120.40 126.82 2kl3 s VAL 64 Ca 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 2kl3 s VAL 64 Cb -0.16 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.31 2kl3 s VAL 64 CO 0.06 0.52 0.13 -0.72 0.00 0.00 0.00 175.10 175.09 2kl3 s TYR 65 N -0.05 -0.14 0.00 5.22 1.13 -1.07 -0.68 117.35 121.76 2kl3 s TYR 65 Ca 0.04 0.43 0.00 0.00 -1.41 0.00 0.00 57.07 56.13 2kl3 s TYR 65 Cb -0.13 -0.07 0.00 0.00 -1.10 0.00 0.00 41.96 40.66 2kl3 s TYR 65 CO 0.02 -0.14 0.00 0.41 -2.51 0.00 0.00 175.55 173.32 2kl3 n GLY 66 N 4.00 1.52 0.07 5.49 0.00 -1.26 -2.32 105.19 112.70 2kl3 n GLY 66 Ca -0.24 -2.00 -0.13 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.85 -0.01 -1.85 4.61 0.00 -1.89 -3.40 119.26 115.86 2kl3 h ALA 67 Ca 0.00 -0.40 -0.53 0.00 0.00 0.00 0.00 54.91 53.97 2kl3 h ALA 67 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 2kl3 h ALA 67 CO 0.00 -0.08 -0.51 0.20 0.00 0.00 0.00 179.25 178.86 2kl3 s GLY 68 N -3.90 1.93 0.31 0.00 0.00 -1.26 -4.68 107.32 99.73 2kl3 s GLY 68 Ca -0.17 -1.81 0.02 0.00 0.00 0.00 0.00 44.72 42.77 2kl3 s GLY 68 CO 0.64 -1.73 1.90 -0.55 0.00 0.00 0.00 173.10 173.37 2kl3 h ASP 69 N 1.47 0.86 0.14 1.64 5.19 -1.90 -2.22 116.42 121.60 2kl3 h ASP 69 Ca -0.44 0.02 0.01 0.00 -0.62 0.00 0.00 57.03 56.00 2kl3 h ASP 69 Cb 1.25 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.57 2kl3 h ASP 69 CO 0.62 0.52 -0.21 -0.08 -3.12 0.00 0.00 179.24 176.97 2kl3 h GLU 70 N 0.96 -0.41 -0.89 3.56 4.81 -2.00 -1.24 114.58 119.37 2kl3 h GLU 70 Ca 0.40 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.65 2kl3 h GLU 70 Cb 0.31 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 2kl3 h GLU 70 CO -0.16 -0.27 0.51 0.37 -0.73 0.00 0.00 179.01 178.72 2kl3 h GLN 71 N -0.42 1.23 -0.36 1.92 4.15 -1.90 -2.19 115.11 117.53 2kl3 h GLN 71 Ca 0.02 -0.13 0.04 0.00 0.77 0.00 0.00 58.65 59.35 2kl3 h GLN 71 Cb 0.43 -0.25 -0.04 0.00 0.21 0.00 0.00 27.48 27.83 2kl3 h GLN 71 CO -0.10 0.88 0.12 1.15 -1.93 0.00 0.00 178.83 178.95 2kl3 h THR 72 N 1.24 0.88 0.45 2.39 2.02 -1.10 -1.93 112.91 116.86 2kl3 h THR 72 Ca 0.32 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 2kl3 h THR 72 Cb -0.01 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 2kl3 h THR 72 CO -0.05 0.05 -0.22 -1.28 0.37 0.00 0.00 175.52 174.39 2kl3 h SER 73 N 0.27 -0.51 -0.83 4.18 0.87 -0.74 -2.69 113.55 114.10 2kl3 h SER 73 Ca 0.17 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2kl3 h SER 73 Cb 0.15 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.20 2kl3 h SER 73 CO -0.18 -0.28 0.52 0.06 -0.53 0.00 0.00 176.83 176.42 2kl3 h GLN 74 N -0.72 1.12 -0.63 2.24 3.07 -1.39 -2.11 115.11 116.70 2kl3 h GLN 74 Ca -0.06 -0.09 0.01 0.00 0.09 0.00 0.00 58.65 58.60 2kl3 h GLN 74 Cb 0.52 -0.24 -0.03 0.00 0.08 0.00 0.00 27.48 27.80 2kl3 h GLN 74 CO 0.10 0.77 0.41 0.00 0.09 0.00 0.00 178.83 180.20 2kl3 h ALA 75 N 1.43 0.81 -0.61 0.06 0.00 -1.34 -1.63 119.26 117.97 2kl3 h ALA 75 Ca 0.30 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.26 2kl3 h ALA 75 Cb -0.07 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.42 2kl3 h ALA 75 CO -0.06 0.19 0.26 0.28 0.00 0.00 0.00 179.25 179.92 2kl3 h VAL 76 N 0.82 0.82 -0.48 0.00 2.07 -1.04 -1.65 116.25 116.79 2kl3 h VAL 76 Ca 0.24 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.68 2kl3 h VAL 76 Cb -0.05 0.31 -0.07 0.00 -1.52 0.00 0.00 31.29 29.96 2kl3 h VAL 76 CO -0.07 0.09 0.09 -1.13 0.02 0.00 0.00 177.57 176.57 2kl3 h ASN 77 N 0.47 0.00 -0.55 0.57 -1.24 -0.92 -1.78 115.58 112.14 2kl3 h ASN 77 Ca 0.30 0.08 -0.03 0.00 0.71 0.00 0.00 56.30 57.36 2kl3 h ASN 77 Cb 0.33 0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.47 2kl3 h ASN 77 CO -0.27 0.03 0.23 -0.07 -1.29 0.00 0.00 177.43 176.06 2kl3 h LEU 78 N 0.23 0.78 -0.08 0.34 3.38 -0.55 0.92 115.31 120.32 2kl3 h LEU 78 Ca 0.24 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2kl3 h LEU 78 Cb 0.31 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2kl3 h LEU 78 CO -0.31 0.70 -0.15 -0.07 0.09 0.00 0.00 178.44 178.70 2kl3 h LEU 79 N 0.84 0.27 -1.42 1.67 3.38 -0.90 -1.40 115.31 117.75 2kl3 h LEU 79 Ca 0.20 -0.56 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 2kl3 h LEU 79 Cb 0.17 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2kl3 h LEU 79 CO -0.02 0.78 -0.24 0.08 0.09 0.00 0.00 178.44 179.13 2kl3 h ARG 80 N -0.23 0.07 0.00 1.13 0.11 -1.22 0.84 114.38 115.08 2kl3 h ARG 80 Ca 0.00 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.03 2kl3 h ARG 80 Cb 0.74 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.80 2kl3 h ARG 80 CO 0.03 0.31 -0.17 1.03 0.10 0.00 0.00 179.97 181.28 2kl3 h SER 81 N 0.07 0.00 -0.03 0.08 0.87 -0.75 -2.37 113.55 111.42 2kl3 h SER 81 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2kl3 h SER 81 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2kl3 h SER 81 CO 0.03 0.17 0.00 0.00 -0.53 0.00 0.00 176.83 176.50 2kl3 n ALA 82 N -2.40 2.60 0.00 6.23 0.00 0.24 -4.92 120.51 122.25 2kl3 n ALA 82 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2kl3 n ALA 82 Cb 0.25 -1.25 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 1.10 0.23 3.67 0.00 0.00 -0.89 -5.00 105.19 104.29 2kl3 n GLY 83 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.78 2.54 -0.01 1.61 3.01 -0.99 -4.89 117.46 116.95 2kl3 n PHE 84 Ca 0.00 -0.34 -0.13 0.00 1.01 0.00 0.00 57.45 57.99 2kl3 n PHE 84 Cb 0.00 -2.79 -0.10 0.00 -0.01 0.00 0.00 39.48 36.58 2kl3 n PHE 84 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2kl3 h GLU 85 N 10.20 -0.00 -3.89 -1.08 5.08 -0.08 -3.40 114.58 121.40 2kl3 h GLU 85 Ca -0.49 0.00 -0.78 0.00 -1.00 0.00 0.00 59.36 57.09 2kl3 h GLU 85 Cb 1.24 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.23 2kl3 h GLU 85 CO 0.94 0.50 -0.00 -1.01 -1.00 0.00 0.00 179.01 178.44 2kl3 s HIS 86 N -4.19 3.63 -0.09 4.33 3.76 -1.05 -5.00 115.29 116.68 2kl3 s HIS 86 Ca -0.16 -1.86 -0.01 0.00 -0.15 0.00 0.00 55.06 52.88 2kl3 s HIS 86 Cb 0.01 -3.78 0.03 0.00 1.11 0.00 0.00 32.58 29.95 2kl3 s HIS 86 CO 0.67 -0.99 -0.00 0.08 -0.85 0.00 0.00 174.74 173.65 2kl3 s VAL 87 N 0.51 0.45 -0.02 -0.90 1.01 -1.26 -1.11 120.40 119.08 2kl3 s VAL 87 Ca 0.14 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.20 2kl3 s VAL 87 Cb -0.15 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 2kl3 s VAL 87 CO -0.06 0.23 -0.18 -0.55 0.00 0.00 0.00 175.10 174.54 2kl3 s SER 88 N 1.94 2.20 0.06 3.32 0.15 -0.28 -4.77 113.70 116.32 2kl3 s SER 88 Ca 0.05 -0.35 -0.24 0.00 0.70 0.00 0.00 55.95 56.11 2kl3 s SER 88 Cb -0.13 -0.38 -0.06 0.00 -1.71 0.00 0.00 66.02 63.75 2kl3 s SER 88 CO -0.06 0.21 0.74 -1.83 1.20 0.00 0.00 173.24 173.50 2kl3 s GLU 89 N -0.28 4.48 -0.30 5.44 -1.05 -0.43 -0.59 118.70 125.97 2kl3 s GLU 89 Ca 0.03 1.03 -0.29 0.00 -0.15 0.00 0.00 54.97 55.60 2kl3 s GLU 89 Cb -0.09 -3.34 0.01 0.00 -0.44 0.00 0.00 34.13 30.28 2kl3 s GLU 89 CO 0.00 0.36 1.08 -1.17 0.95 0.00 0.00 175.26 176.48 2kl3 s LEU 90 N -0.30 3.97 0.05 1.83 2.96 0.14 -0.63 118.68 126.70 2kl3 s LEU 90 Ca 0.37 1.14 -0.30 0.00 -0.22 0.00 0.00 54.13 55.11 2kl3 s LEU 90 Cb -0.21 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.89 2kl3 s LEU 90 CO 0.23 -0.85 1.13 -0.54 -1.32 0.00 0.00 176.35 175.00 2kl3 s LYS 91 N 3.59 4.48 0.00 1.98 1.02 -0.09 -3.56 119.74 127.16 2kl3 s LYS 91 Ca 0.46 1.66 0.00 0.00 0.02 0.00 0.00 55.97 58.11 2kl3 s LYS 91 Cb -0.13 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 2kl3 s LYS 91 CO 0.14 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.81 2kl3 n GLY 92 N 3.04 2.87 1.93 -3.33 0.00 -1.26 -4.20 105.19 104.23 2kl3 n GLY 92 Ca 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.98 0.29 -0.02 0.00 -1.23 -4.18 105.19 98.06 2kl3 n GLY 93 Ca 0.00 -1.88 -0.02 0.00 0.00 0.00 0.00 46.02 44.12 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 0.66 -0.96 0.99 5.85 -1.83 -2.30 115.31 117.72 2kl3 h LEU 94 Ca 0.00 -0.13 0.16 0.00 0.84 0.00 0.00 57.88 58.75 2kl3 h LEU 94 Cb 0.00 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 40.76 2kl3 h LEU 94 CO 0.00 0.70 0.57 0.00 -0.34 0.00 0.00 178.44 179.37 2kl3 h ALA 95 N 1.38 1.52 -0.11 1.25 0.00 -1.91 0.15 119.26 121.54 2kl3 h ALA 95 Ca 0.14 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2kl3 h ALA 95 Cb 0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2kl3 h ALA 95 CO 0.01 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.28 2kl3 h ALA 96 N 1.59 0.15 -0.85 0.00 0.00 -1.58 0.17 119.26 118.74 2kl3 h ALA 96 Ca 0.52 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.37 2kl3 h ALA 96 Cb 0.71 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 2kl3 h ALA 96 CO -0.34 -0.17 0.55 2.35 0.00 0.00 0.00 179.25 181.64 2kl3 h TRP 97 N -0.08 0.83 0.09 0.00 2.91 -1.05 -1.64 115.95 117.01 2kl3 h TRP 97 Ca 0.03 0.02 -0.26 0.00 1.13 0.00 0.00 58.89 59.82 2kl3 h TRP 97 Cb 0.35 -0.27 0.02 0.00 -0.51 0.00 0.00 29.16 28.76 2kl3 h TRP 97 CO 0.03 0.36 -1.06 0.87 -1.03 0.00 0.00 178.44 177.60 2kl3 h LYS 98 N 0.75 0.57 -0.11 2.65 1.57 -0.59 -0.59 116.57 120.82 2kl3 h LYS 98 Ca 0.41 -0.73 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 2kl3 h LYS 98 Cb 0.54 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 2kl3 h LYS 98 CO -0.17 1.31 -0.09 0.00 -0.57 0.00 0.00 179.45 179.93 2kl3 h ALA 99 N 0.28 1.66 -0.04 3.86 0.00 -0.09 -0.64 119.26 124.28 2kl3 h ALA 99 Ca -0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2kl3 h ALA 99 Cb 1.76 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2kl3 h ALA 99 CO 0.21 0.25 0.00 0.44 0.00 0.00 0.00 179.25 180.15 2kl3 n ILE 100 N -4.35 0.05 -2.89 0.00 -5.35 -0.67 -4.92 119.36 101.23 2kl3 n ILE 100 Ca -0.01 -0.11 -0.11 0.00 -0.27 0.00 0.00 62.75 62.26 2kl3 n ILE 100 Cb 0.21 -0.10 0.05 0.00 -1.74 0.00 0.00 39.64 38.07 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 0.95 -0.05 3.94 3.28 0.00 -0.25 -5.05 105.19 108.02 2kl3 n GLY 101 Ca 0.17 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.80 1.57 -0.23 -0.02 0.00 -0.23 -5.04 107.32 99.57 2kl3 s GLY 102 Ca 0.02 -0.89 -0.29 0.00 0.00 0.00 0.00 44.72 43.56 2kl3 s GLY 102 CO 0.45 -0.69 1.55 2.56 0.00 0.00 0.00 173.10 176.98 2kl3 s PRO 103 N -4.71 3.83 0.12 2.90 0.04 -1.26 -4.82 135.00 131.10 2kl3 s PRO 103 Ca 0.50 1.60 0.10 0.00 0.04 0.00 0.00 61.00 63.24 2kl3 s PRO 103 Cb -0.10 -4.00 -0.04 0.00 0.04 0.00 0.00 34.50 30.40 2kl3 s PRO 103 CO 0.41 -1.25 -0.25 0.95 0.04 0.00 0.00 177.00 176.90 2kl3 s THR 104 N 5.00 2.11 0.15 1.26 -4.23 -1.26 -0.98 115.64 117.69 2kl3 s THR 104 Ca 0.68 -1.69 0.10 0.00 -1.18 0.00 0.00 61.69 59.60 2kl3 s THR 104 Cb -0.23 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.69 2kl3 s THR 104 CO 0.28 0.06 -0.22 -1.61 -0.54 0.00 0.00 174.62 172.59 2kl3 s GLU 105 N -2.00 1.33 0.00 3.99 2.02 0.65 -4.65 118.70 120.03 2kl3 s GLU 105 Ca 0.12 -1.38 0.00 0.00 0.02 0.00 0.00 54.97 53.73 2kl3 s GLU 105 Cb -0.10 -1.58 0.00 0.00 0.10 0.00 0.00 34.13 32.55 2kl3 s GLU 105 CO 0.05 0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.09 2kl3 n GLY 106 N 0.56 3.30 0.25 -1.39 0.00 -1.26 0.09 105.19 106.74 2kl3 n GLY 106 Ca -0.15 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 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 2.38 1.23 0.14 -0.61 2.04 -0.20 -3.00 117.51 119.50 2kl3 h ILE 107 Ca 0.00 -0.77 -0.29 0.00 1.00 0.00 0.00 64.86 64.80 2kl3 h ILE 107 Cb 0.00 0.72 0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2kl3 h ILE 107 CO 0.00 0.29 -1.26 0.40 0.00 0.00 0.00 178.15 177.58 2kl3 h ILE 108 N 0.74 1.41 0.00 -0.67 5.03 -1.42 -3.32 117.51 119.28 2kl3 h ILE 108 Ca 0.17 -2.84 0.00 0.00 -0.12 0.00 0.00 64.86 62.08 2kl3 h ILE 108 Cb 0.27 2.88 0.00 0.00 -3.03 0.00 0.00 36.82 36.93 2kl3 h ILE 108 CO -0.01 0.84 0.00 -0.62 -0.68 0.00 0.00 178.15 177.68 2kl3 n GLU 109 N -3.63 0.63 -0.45 2.37 -0.58 -1.02 -2.98 120.64 114.97 2kl3 n GLU 109 Ca -0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 2kl3 n GLU 109 Cb 1.02 -1.19 0.00 0.00 -0.57 0.00 0.00 31.44 30.70 2kl3 n GLU 109 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2kl3 n SER 110 N 1.36 0.00 -3.66 1.62 2.88 -1.18 -4.33 113.62 110.31 2kl3 n SER 110 Ca 0.00 -1.13 -0.10 0.00 -1.33 0.00 0.00 58.87 56.31 2kl3 n SER 110 Cb 0.31 -0.03 -0.03 0.00 -0.75 0.00 0.00 64.21 63.71 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 0.00 1.76 0.14 -1.46 1.70 -1.16 -5.07 118.95 114.86 2kl3 s ARG 111 Ca 0.00 -1.36 0.11 0.00 -0.47 0.00 0.00 55.73 54.01 2kl3 s ARG 111 Cb 0.00 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 2kl3 s ARG 111 CO 0.00 -0.76 -0.25 0.95 -1.08 0.00 0.00 175.30 174.16 2kl3 s THR 112 N -3.55 2.19 0.00 4.99 -4.23 -1.26 -5.06 115.64 108.73 2kl3 s THR 112 Ca 0.22 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 2kl3 s THR 112 Cb -0.02 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.86 2kl3 s THR 112 CO 0.12 0.01 0.00 -0.81 -0.54 0.00 0.00 174.62 173.40 2kl3 n PRO 113 N 0.77 0.00 -2.58 3.99 -0.04 -1.26 -5.04 135.00 130.84 2kl3 n PRO 113 Ca -0.17 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.25 2kl3 n PRO 113 Cb 0.54 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 2kl3 n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kl3 n ALA 114 N -3.00 -3.07 -2.66 0.55 0.00 -1.26 -5.04 120.51 106.03 2kl3 n ALA 114 Ca 0.00 1.82 -0.03 0.00 0.00 0.00 0.00 53.44 55.23 2kl3 n ALA 114 Cb 0.00 -3.71 0.11 0.00 0.00 0.00 0.00 19.45 15.85 2kl3 n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl3 n GLY 115 N 1.84 1.56 3.65 0.00 0.00 -1.26 -5.13 105.19 105.85 2kl3 n GLY 115 Ca -0.30 -0.14 -0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 0.12 -2.48 -0.30 4.61 0.00 -1.26 -5.16 121.76 117.29 2kl3 s ALA 116 Ca 0.10 1.97 -0.12 0.00 0.00 0.00 0.00 51.96 53.90 2kl3 s ALA 116 Cb 0.39 -1.87 0.16 0.00 0.00 0.00 0.00 23.12 21.80 2kl3 s ALA 116 CO -0.11 -0.28 0.88 0.34 0.00 0.00 0.00 175.76 176.60 2kl3 s ASP 117 N 0.88 -0.77 0.67 0.00 -1.08 -1.26 -5.19 116.67 109.92 2kl3 s ASP 117 Ca -0.05 0.91 -0.02 0.00 -0.52 0.00 0.00 52.55 52.88 2kl3 s ASP 117 Cb -0.03 1.82 0.10 0.00 -1.46 0.00 0.00 42.92 43.35 2kl3 s ASP 117 CO -0.12 -0.15 0.68 -0.90 0.52 0.00 0.00 175.17 175.21 2kl3 n ASP 118 N 5.18 0.78 -3.86 -0.34 5.75 -1.26 -5.13 116.55 117.67 2kl3 n ASP 118 Ca -0.09 -1.69 -0.12 0.00 -0.01 0.00 0.00 54.79 52.88 2kl3 n ASP 118 Cb 0.52 -0.46 -0.13 0.00 -1.03 0.00 0.00 41.12 40.02 2kl3 n ASP 118 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2kl3 s TYR 119 N -2.07 -0.04 -0.14 2.11 5.04 -1.26 -5.13 117.35 115.86 2kl3 s TYR 119 Ca 0.44 0.10 -0.29 0.00 -2.44 0.00 0.00 57.07 54.88 2kl3 s TYR 119 Cb -0.02 0.00 -0.03 0.00 0.35 0.00 0.00 41.96 42.26 2kl3 s TYR 119 CO 0.30 -0.06 1.53 -0.80 -1.34 0.00 0.00 175.55 175.18 2kl3 s ASN 120 N -0.15 6.64 -0.32 4.32 -0.87 -1.26 -4.99 114.94 118.32 2kl3 s ASN 120 Ca -0.02 1.87 -0.13 0.00 -1.57 0.00 0.00 52.86 53.01 2kl3 s ASN 120 Cb -0.02 -2.53 -0.03 0.00 -0.02 0.00 0.00 41.25 38.65 2kl3 s ASN 120 CO 0.00 -1.00 0.28 -0.69 -2.57 0.00 0.00 177.10 173.12 2kl3 s VAL 121 N 4.29 5.25 -0.30 1.60 1.01 -1.26 -5.02 120.40 125.97 2kl3 s VAL 121 Ca 0.68 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.64 2kl3 s VAL 121 Cb -0.27 -3.69 0.18 0.00 0.00 0.00 0.00 36.38 32.60 2kl3 s VAL 121 CO 0.25 0.06 0.83 0.54 0.00 0.00 0.00 175.10 176.78 2kl3 s VAL 122 N 1.85 -0.66 -0.30 2.92 0.11 -1.26 -5.16 120.40 117.90 2kl3 s VAL 122 Ca 0.09 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.00 2kl3 s VAL 122 Cb -0.17 -0.99 0.14 0.00 -1.53 0.00 0.00 36.38 33.84 2kl3 s VAL 122 CO 0.11 0.00 0.87 -0.94 -3.33 0.00 0.00 175.10 171.81 2kl3 s SER 123 N 2.91 -0.74 -0.31 3.54 1.04 -1.26 -5.11 113.70 113.76 2kl3 s SER 123 Ca 0.10 1.06 -0.11 0.00 0.48 0.00 0.00 55.95 57.48 2kl3 s SER 123 Cb -0.12 1.67 0.19 0.00 0.10 0.00 0.00 66.02 67.85 2kl3 s SER 123 CO -0.16 -0.16 1.09 -0.60 0.98 0.00 0.00 173.24 174.39 2kl3 s ARG 124 N 2.19 0.11 -0.19 4.02 3.52 -1.26 -5.16 118.95 122.18 2kl3 s ARG 124 Ca -0.06 -0.02 -0.15 0.00 -0.13 0.00 0.00 55.73 55.37 2kl3 s ARG 124 Cb -0.07 0.02 -0.04 0.00 -1.56 0.00 0.00 34.95 33.30 2kl3 s ARG 124 CO -0.17 -0.17 0.36 -1.17 -0.81 0.00 0.00 175.30 173.34 2kl3 s LEU 125 N 2.13 4.18 -0.03 -0.88 2.96 -1.26 -5.08 118.68 120.71 2kl3 s LEU 125 Ca 0.17 0.50 0.07 0.00 -0.22 0.00 0.00 54.13 54.65 2kl3 s LEU 125 Cb 0.03 -2.46 -0.02 0.00 0.50 0.00 0.00 46.19 44.25 2kl3 s LEU 125 CO -0.17 -0.02 -0.25 -0.70 -1.32 0.00 0.00 176.35 173.90 2kl3 s GLU 126 N 1.05 2.12 -0.32 1.98 2.56 -1.26 -5.10 118.70 119.74 2kl3 s GLU 126 Ca 0.18 -0.89 -0.02 0.00 0.00 0.00 0.00 54.97 54.24 2kl3 s GLU 126 Cb -0.14 -1.99 0.19 0.00 2.00 0.00 0.00 34.13 34.19 2kl3 s GLU 126 CO 0.07 0.50 0.82 -3.38 -0.56 0.00 0.00 175.26 172.70 2kl3 s HIS 127 N -0.48 -1.15 -0.11 5.30 -3.43 -1.26 -5.15 115.29 109.01 2kl3 s HIS 127 Ca 0.06 0.53 -0.04 0.00 -0.80 0.00 0.00 55.06 54.81 2kl3 s HIS 127 Cb -0.11 0.20 0.06 0.00 -1.43 0.00 0.00 32.58 31.30 2kl3 s HIS 127 CO 0.00 -0.70 0.23 -1.01 -2.00 0.00 0.00 174.74 171.26 2kl3 s HIS 128 N 2.59 -0.34 -0.16 0.38 3.76 -1.26 -5.15 115.29 115.12 2kl3 s HIS 128 Ca 0.18 0.84 -0.08 0.00 -0.15 0.00 0.00 55.06 55.84 2kl3 s HIS 128 Cb -0.04 -0.08 0.06 0.00 1.11 0.00 0.00 32.58 33.62 2kl3 s HIS 128 CO -0.20 -0.31 0.37 -3.38 -0.85 0.00 0.00 174.74 170.37 2kl3 s HIS 129 N 2.16 -0.56 -0.27 1.40 -3.43 -1.26 -5.15 115.29 108.18 2kl3 s HIS 129 Ca -0.00 1.19 -0.22 0.00 -0.80 0.00 0.00 55.06 55.23 2kl3 s HIS 129 Cb -0.12 0.21 0.08 0.00 -1.43 0.00 0.00 32.58 31.32 2kl3 s HIS 129 CO -0.08 -0.33 0.74 -3.38 -2.00 0.00 0.00 174.74 169.69 2kl3 s HIS 130 N 1.52 -0.84 -0.35 0.38 -3.43 -1.26 -5.13 115.29 106.17 2kl3 s HIS 130 Ca -0.08 1.91 0.07 0.00 -0.80 0.00 0.00 55.06 56.15 2kl3 s HIS 130 Cb -0.09 0.39 0.19 0.00 -1.43 0.00 0.00 32.58 31.64 2kl3 s HIS 130 CO -0.12 -0.41 0.60 -3.38 -2.00 0.00 0.00 174.74 169.43 2kl3 s HIS 131 N 0.78 -1.72 0.00 0.38 -3.43 -1.26 -5.37 115.29 104.67 2kl3 s HIS 131 Ca -0.03 0.58 0.00 0.00 -0.80 0.00 0.00 55.06 54.81 2kl3 s HIS 131 Cb -0.05 0.28 0.00 0.00 -1.43 0.00 0.00 32.58 31.38 2kl3 s HIS 131 CO -0.06 -1.13 0.00 1.58 -2.00 0.00 0.00 174.74 173.13