#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl2 s ALA 2 N 0.00 2.26 -0.08 3.04 0.00 -0.96 -4.89 121.76 121.13 2kl2 s ALA 2 Ca 0.00 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.71 2kl2 s ALA 2 Cb 0.00 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 2kl2 s ALA 2 CO 0.00 -1.62 -0.08 -1.01 0.00 0.00 0.00 175.76 173.05 2kl2 s HIS 3 N -2.12 2.90 0.28 0.00 0.09 -1.26 -1.20 115.29 113.97 2kl2 s HIS 3 Ca 0.71 -0.12 0.04 0.00 -0.00 0.00 0.00 55.06 55.69 2kl2 s HIS 3 Cb -0.25 -1.75 -0.06 0.00 -0.00 0.00 0.00 32.58 30.52 2kl2 s HIS 3 CO 0.43 0.20 0.03 0.96 -0.00 0.00 0.00 174.74 176.37 2kl2 s ILE 4 N -0.51 1.07 0.02 0.60 -4.36 -0.08 -2.45 121.20 115.49 2kl2 s ILE 4 Ca 0.07 -2.02 0.03 0.00 -0.26 0.00 0.00 60.65 58.47 2kl2 s ILE 4 Cb -0.12 -2.60 -0.01 0.00 1.25 0.00 0.00 42.46 40.98 2kl2 s ILE 4 CO 0.02 -0.13 -0.09 0.12 0.24 0.00 0.00 174.94 175.10 2kl2 s PHE 5 N -3.39 0.81 0.42 1.37 5.36 -1.09 -1.58 117.98 119.88 2kl2 s PHE 5 Ca 0.34 -0.28 0.08 0.00 -0.96 0.00 0.00 56.93 56.10 2kl2 s PHE 5 Cb 0.07 -0.50 0.01 0.00 -0.34 0.00 0.00 43.02 42.26 2kl2 s PHE 5 CO 0.13 -0.02 0.55 0.14 -1.46 0.00 0.00 175.22 174.56 2kl2 s VAL 6 N -0.67 3.01 0.00 3.12 -7.23 -1.08 -4.71 120.40 112.84 2kl2 s VAL 6 Ca -0.01 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.14 2kl2 s VAL 6 Cb -0.06 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 33.87 2kl2 s VAL 6 CO 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 175.10 174.79 2kl2 n TYR 7 N -1.82 0.00 0.00 2.82 0.18 -1.26 -4.20 117.16 112.88 2kl2 n TYR 7 Ca 0.07 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.85 2kl2 n TYR 7 Cb 0.59 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.55 2kl2 n TYR 7 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2kl2 n GLY 8 N 2.89 -0.55 0.30 -7.48 0.00 -1.26 -3.57 105.19 95.53 2kl2 n GLY 8 Ca 0.00 0.27 0.10 0.00 0.00 0.00 0.00 46.02 46.39 2kl2 n GLY 8 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2kl2 h THR 9 N 0.00 0.29 0.00 2.61 1.35 -1.95 -2.73 112.91 112.49 2kl2 h THR 9 Ca 0.00 -0.05 -0.03 0.00 -0.55 0.00 0.00 66.41 65.77 2kl2 h THR 9 Cb 0.00 0.13 -0.07 0.00 -1.73 0.00 0.00 68.15 66.48 2kl2 h THR 9 CO 0.00 0.03 -0.47 0.18 -0.25 0.00 0.00 175.52 175.01 2kl2 n LEU 10 N -5.30 2.01 -0.01 3.87 4.77 -1.26 -3.06 117.00 118.03 2kl2 n LEU 10 Ca 0.19 -3.03 -0.01 0.00 -0.03 0.00 0.00 56.01 53.13 2kl2 n LEU 10 Cb 0.62 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 2kl2 n LEU 10 CO 0.04 0.94 -0.54 1.17 -1.33 0.00 0.00 177.39 177.67 2kl2 n LYS 11 N -0.78 2.56 0.00 3.23 4.81 -1.03 -4.93 118.16 122.01 2kl2 n LYS 11 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 2kl2 n LYS 11 Cb 0.76 -1.03 0.00 0.00 0.02 0.00 0.00 35.03 34.78 2kl2 n LYS 11 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 2kl2 n ARG 12 N -2.21 0.00 -2.70 1.64 1.85 -1.20 -4.94 116.66 109.10 2kl2 n ARG 12 Ca -0.02 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.76 2kl2 n ARG 12 Cb 0.53 0.00 0.09 0.00 -1.05 0.00 0.00 32.46 32.03 2kl2 n ARG 12 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2kl2 n GLY 13 N 3.81 0.37 3.82 2.89 0.00 -1.26 -5.02 105.19 109.80 2kl2 n GLY 13 Ca 0.00 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2kl2 n GLY 13 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kl2 s GLN 14 N 0.18 2.59 0.00 1.61 1.11 -1.26 -4.89 119.66 119.00 2kl2 s GLN 14 Ca 0.19 0.78 0.07 0.00 0.01 0.00 0.00 55.36 56.41 2kl2 s GLN 14 Cb 0.30 -1.96 0.41 0.00 -1.01 0.00 0.00 33.01 30.74 2kl2 s GLN 14 CO -0.08 -1.30 0.82 -0.35 0.01 0.00 0.00 175.29 174.39 2kl2 n PRO 15 N -3.24 0.38 0.00 2.91 -0.04 -1.26 -2.18 135.00 131.57 2kl2 n PRO 15 Ca 0.07 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.54 2kl2 n PRO 15 Cb 0.55 -1.28 -0.01 0.00 -0.04 0.00 0.00 33.50 32.72 2kl2 n PRO 15 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2kl2 n ASN 16 N -0.78 0.21 -0.15 3.54 3.02 -1.26 -4.76 115.26 115.08 2kl2 n ASN 16 Ca 0.05 -0.61 -0.06 0.00 -0.03 0.00 0.00 54.58 53.94 2kl2 n ASN 16 Cb 0.02 0.86 0.03 0.00 -0.61 0.00 0.00 39.78 40.09 2kl2 n ASN 16 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 2kl2 h HIS 17 N 0.04 0.49 -0.10 3.10 2.76 -1.36 -1.84 115.15 118.25 2kl2 h HIS 17 Ca 0.00 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.22 2kl2 h HIS 17 Cb 0.04 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 28.84 2kl2 h HIS 17 CO 0.00 0.27 0.40 1.57 -1.30 0.00 0.00 177.93 178.87 2kl2 h LYS 18 N 0.53 0.00 0.00 5.26 5.09 -1.85 -2.35 116.57 123.24 2kl2 h LYS 18 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.94 2kl2 h LYS 18 Cb 0.06 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.39 2kl2 h LYS 18 CO -0.11 0.00 0.00 -0.39 -2.09 0.00 0.00 179.45 176.86 2kl2 h VAL 19 N 0.00 0.00 -0.00 0.07 -1.51 -1.69 -1.17 116.25 111.95 2kl2 h VAL 19 Ca 0.05 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 2kl2 h VAL 19 Cb 0.85 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 2kl2 h VAL 19 CO -0.00 0.00 -0.79 1.15 -1.23 0.00 0.00 177.57 176.70 2kl2 n MET 20 N -2.79 0.20 0.06 5.19 0.00 -0.88 -4.19 117.12 114.71 2kl2 n MET 20 Ca -0.02 -0.16 -0.09 0.00 0.00 0.00 0.00 57.70 57.44 2kl2 n MET 20 Cb 0.11 -1.50 -0.13 0.00 0.00 0.00 0.00 33.22 31.70 2kl2 n MET 20 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2kl2 h LEU 21 N 0.38 0.09 -8.41 3.17 4.07 -1.38 -3.38 115.31 109.85 2kl2 h LEU 21 Ca 0.00 -0.10 -0.45 0.00 0.08 0.00 0.00 57.88 57.41 2kl2 h LEU 21 Cb 0.53 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.20 2kl2 h LEU 21 CO 0.00 1.08 1.18 -1.81 -1.08 0.00 0.00 178.44 177.81 2kl2 s ASP 22 N -6.76 5.29 0.64 -0.43 1.01 -1.21 -4.82 116.67 110.39 2kl2 s ASP 22 Ca -0.01 0.01 0.41 0.00 0.71 0.00 0.00 52.55 53.67 2kl2 s ASP 22 Cb 0.09 -2.54 2.20 0.00 1.01 0.00 0.00 42.92 43.68 2kl2 s ASP 22 CO 0.83 -2.44 2.31 -0.74 0.21 0.00 0.00 175.17 175.34 2kl2 h HIS 23 N 13.72 0.00 -0.91 4.23 -0.00 -1.75 0.50 115.15 130.94 2kl2 h HIS 23 Ca -0.16 0.00 0.23 0.00 -0.00 0.00 0.00 60.37 60.44 2kl2 h HIS 23 Cb 1.11 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 28.47 2kl2 h HIS 23 CO 1.10 0.01 0.62 0.77 -0.00 0.00 0.00 177.93 180.43 2kl2 h SER 24 N 0.00 0.24 -0.50 3.26 0.02 -1.94 -0.54 113.55 114.09 2kl2 h SER 24 Ca -0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2kl2 h SER 24 Cb 0.07 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2kl2 h SER 24 CO 0.00 0.09 0.00 1.41 -1.14 0.00 0.00 176.83 177.19 2kl2 n HIS 25 N -4.42 0.75 0.00 3.45 8.25 0.17 -5.04 115.22 118.38 2kl2 n HIS 25 Ca 0.20 -0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2kl2 n HIS 25 Cb 0.83 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.90 2kl2 n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kl2 n GLY 26 N 1.22 1.35 3.75 -1.41 0.00 -0.21 -3.50 105.19 106.39 2kl2 n GLY 26 Ca 0.17 -2.20 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 2kl2 n GLY 26 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kl2 s LEU 27 N 0.00 4.36 -0.22 0.99 1.98 -1.26 -4.22 118.68 120.31 2kl2 s LEU 27 Ca 0.00 1.00 -0.04 0.00 -2.89 0.00 0.00 54.13 52.20 2kl2 s LEU 27 Cb 0.00 -2.81 0.08 0.00 0.66 0.00 0.00 46.19 44.12 2kl2 s LEU 27 CO 0.00 0.06 0.15 0.00 -1.89 0.00 0.00 176.35 174.67 2kl2 s ALA 28 N 0.14 0.23 -0.15 5.97 0.00 -1.26 -2.93 121.76 123.77 2kl2 s ALA 28 Ca 0.29 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.89 2kl2 s ALA 28 Cb -0.17 -1.25 -0.00 0.00 0.00 0.00 0.00 23.12 21.70 2kl2 s ALA 28 CO 0.14 -1.34 -0.16 0.00 0.00 0.00 0.00 175.76 174.40 2kl2 s ALA 29 N 2.19 2.46 -0.27 0.00 0.00 0.39 -4.96 121.76 121.56 2kl2 s ALA 29 Ca 0.05 -1.05 -0.29 0.00 0.00 0.00 0.00 51.96 50.68 2kl2 s ALA 29 Cb -0.16 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 2kl2 s ALA 29 CO -0.19 -0.02 1.74 0.12 0.00 0.00 0.00 175.76 177.42 2kl2 s PHE 30 N 0.79 1.89 -0.63 0.00 5.36 -1.26 -1.05 117.98 123.09 2kl2 s PHE 30 Ca -0.06 0.55 0.04 0.00 -0.96 0.00 0.00 56.93 56.50 2kl2 s PHE 30 Cb -0.15 -4.08 0.35 0.00 -0.34 0.00 0.00 43.02 38.79 2kl2 s PHE 30 CO 0.00 -3.06 1.10 0.54 -1.46 0.00 0.00 175.22 172.34 2kl2 n ARG 31 N 8.12 3.55 0.00 10.12 5.12 -0.18 -4.66 116.66 138.73 2kl2 n ARG 31 Ca 0.21 -4.78 0.00 0.00 -1.93 0.00 0.00 57.85 51.35 2kl2 n ARG 31 Cb 0.46 -2.27 0.00 0.00 -1.16 0.00 0.00 32.46 29.49 2kl2 n ARG 31 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kl2 n GLY 32 N -0.25 -1.59 3.65 -0.13 0.00 -1.26 -3.99 105.19 101.62 2kl2 n GLY 32 Ca 0.34 -1.31 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 2kl2 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kl2 s ARG 33 N 0.00 2.07 0.27 1.61 0.52 0.24 -1.00 118.95 122.66 2kl2 s ARG 33 Ca 0.00 -1.88 -0.17 0.00 -0.52 0.00 0.00 55.73 53.16 2kl2 s ARG 33 Cb 0.00 -1.86 0.06 0.00 0.52 0.00 0.00 34.95 33.68 2kl2 s ARG 33 CO 0.00 0.02 0.86 0.41 0.02 0.00 0.00 175.30 176.61 2kl2 n GLY 34 N -1.02 0.84 3.31 -3.53 0.00 0.13 -0.38 105.19 104.53 2kl2 n GLY 34 Ca -0.04 -1.19 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 2kl2 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kl2 s THR 36 N -3.27 3.66 0.09 0.00 -4.23 0.04 -1.54 115.64 110.40 2kl2 s THR 36 Ca -0.00 0.43 -0.26 0.00 -1.18 0.00 0.00 61.69 60.68 2kl2 s THR 36 Cb 0.01 -4.60 -0.14 0.00 1.34 0.00 0.00 72.50 69.11 2kl2 s THR 36 CO -0.08 -1.50 1.69 -0.37 -0.54 0.00 0.00 174.62 173.82 2kl2 h VAL 37 N 6.29 0.71 -2.25 2.29 -1.51 -1.91 -3.35 116.25 116.52 2kl2 h VAL 37 Ca -0.27 0.00 -0.58 0.00 -1.23 0.00 0.00 66.70 64.62 2kl2 h VAL 37 Cb 1.08 0.71 -0.01 0.00 -2.13 0.00 0.00 31.29 30.94 2kl2 h VAL 37 CO 1.24 0.00 1.40 -1.61 -1.23 0.00 0.00 177.57 177.37 2kl2 s GLU 38 N -6.14 3.28 0.25 5.19 8.01 -1.26 -4.87 118.70 123.15 2kl2 s GLU 38 Ca -0.15 1.87 -0.31 0.00 0.01 0.00 0.00 54.97 56.39 2kl2 s GLU 38 Cb 0.06 -4.29 -0.12 0.00 -4.31 0.00 0.00 34.13 25.47 2kl2 s GLU 38 CO 0.65 -1.93 1.65 0.43 0.01 0.00 0.00 175.26 176.07 2kl2 n SER 39 N 10.89 3.84 -4.30 -0.19 7.64 -1.26 -4.52 113.62 125.74 2kl2 n SER 39 Ca 0.27 1.10 -0.20 0.00 1.01 0.00 0.00 58.87 61.05 2kl2 n SER 39 Cb 0.45 -1.57 -0.11 0.00 -1.01 0.00 0.00 64.21 61.97 2kl2 n SER 39 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2kl2 s PHE 40 N 0.58 1.66 -0.53 1.43 0.08 -0.95 -0.13 117.98 120.11 2kl2 s PHE 40 Ca 0.70 -0.51 -0.26 0.00 0.12 0.00 0.00 56.93 56.99 2kl2 s PHE 40 Cb -0.52 -0.84 0.03 0.00 -0.57 0.00 0.00 43.02 41.13 2kl2 s PHE 40 CO 0.41 0.26 1.01 -1.25 -0.10 0.00 0.00 175.22 175.54 2kl2 s PRO 41 N -2.76 3.44 -0.71 0.24 0.04 -0.94 -2.43 135.00 131.87 2kl2 s PRO 41 Ca 0.13 -0.01 -0.08 0.00 0.04 0.00 0.00 61.00 61.08 2kl2 s PRO 41 Cb -0.05 -4.01 0.19 0.00 0.04 0.00 0.00 34.50 30.67 2kl2 s PRO 41 CO 0.05 -1.47 0.59 -1.17 0.04 0.00 0.00 177.00 175.04 2kl2 s LEU 42 N 4.17 5.96 -0.05 -3.56 2.96 -1.26 -2.63 118.68 124.26 2kl2 s LEU 42 Ca 0.36 -2.74 0.00 0.00 -0.22 0.00 0.00 54.13 51.53 2kl2 s LEU 42 Cb -0.10 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 2kl2 s LEU 42 CO 0.23 -0.48 -0.01 0.68 -1.32 0.00 0.00 176.35 175.45 2kl2 s VAL 43 N 0.10 4.12 -1.04 1.68 -7.23 -0.69 -2.26 120.40 115.09 2kl2 s VAL 43 Ca 0.17 -0.44 -0.06 0.00 -1.81 0.00 0.00 61.98 59.84 2kl2 s VAL 43 Cb -0.16 -2.76 0.27 0.00 0.56 0.00 0.00 36.38 34.28 2kl2 s VAL 43 CO -0.06 0.51 1.06 -0.38 -0.31 0.00 0.00 175.10 175.92 2kl2 n ILE 44 N 1.85 4.16 -4.20 -0.62 5.41 -1.26 -0.93 119.36 123.78 2kl2 n ILE 44 Ca -0.17 -5.37 -0.27 0.00 1.00 0.00 0.00 62.75 57.94 2kl2 n ILE 44 Cb 0.53 -2.45 -0.08 0.00 -0.71 0.00 0.00 39.64 36.93 2kl2 n ILE 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kl2 s ALA 45 N -1.55 3.20 0.00 -1.39 0.00 -1.26 -4.96 121.76 115.80 2kl2 s ALA 45 Ca 0.30 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2kl2 s ALA 45 Cb -0.07 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.04 2kl2 s ALA 45 CO -0.07 0.52 0.00 0.41 0.00 0.00 0.00 175.76 176.62 2kl2 n GLY 46 N 0.03 -1.09 0.12 0.00 0.00 -1.26 -3.97 105.19 99.01 2kl2 n GLY 46 Ca -0.10 -1.61 0.12 0.00 0.00 0.00 0.00 46.02 44.43 2kl2 n GLY 46 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kl2 n GLU 47 N -0.99 0.36 -0.30 1.61 0.00 -1.26 -3.41 120.64 116.65 2kl2 n GLU 47 Ca 0.00 -0.24 0.07 0.00 0.00 0.00 0.00 57.16 57.00 2kl2 n GLU 47 Cb 0.00 -1.50 0.22 0.00 0.00 0.00 0.00 31.44 30.17 2kl2 n GLU 47 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2kl2 n HIS 48 N -1.11 0.75 -3.29 4.31 8.25 -1.26 -5.00 115.22 117.86 2kl2 n HIS 48 Ca 0.08 -0.57 -0.16 0.00 -0.26 0.00 0.00 57.72 56.81 2kl2 n HIS 48 Cb 0.35 -0.09 0.08 0.00 1.12 0.00 0.00 29.99 31.44 2kl2 n HIS 48 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2kl2 n ASN 49 N 0.62 -3.94 -4.25 0.41 4.13 -1.22 -3.06 115.26 107.93 2kl2 n ASN 49 Ca 0.17 -0.63 -0.43 0.00 1.68 0.00 0.00 54.58 55.36 2kl2 n ASN 49 Cb 0.59 -4.98 -0.04 0.00 -1.54 0.00 0.00 39.78 33.80 2kl2 n ASN 49 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2kl2 s ILE 50 N -3.36 5.11 0.08 2.41 1.01 -1.25 -4.17 121.20 121.03 2kl2 s ILE 50 Ca 0.19 -2.86 -0.31 0.00 0.00 0.00 0.00 60.65 57.67 2kl2 s ILE 50 Cb -0.02 -4.17 -0.09 0.00 0.01 0.00 0.00 42.46 38.18 2kl2 s ILE 50 CO 0.71 -1.02 1.77 -2.16 0.00 0.00 0.00 174.94 174.23 2kl2 s PRO 51 N -0.25 4.16 -0.17 2.79 0.04 -1.26 -4.17 135.00 136.15 2kl2 s PRO 51 Ca 0.20 2.47 -0.10 0.00 0.04 0.00 0.00 61.00 63.61 2kl2 s PRO 51 Cb -0.12 -3.69 -0.05 0.00 0.04 0.00 0.00 34.50 30.68 2kl2 s PRO 51 CO -0.08 -0.82 0.18 -1.58 0.04 0.00 0.00 177.00 174.74 2kl2 s TRP 52 N 2.99 3.47 -0.67 0.56 0.52 -0.10 -4.89 118.94 120.82 2kl2 s TRP 52 Ca 0.79 0.45 -0.16 0.00 0.02 0.00 0.00 56.10 57.19 2kl2 s TRP 52 Cb -0.42 -2.16 0.15 0.00 -1.15 0.00 0.00 33.47 29.88 2kl2 s TRP 52 CO 0.35 0.37 0.69 -1.17 0.02 0.00 0.00 176.95 177.21 2kl2 s LEU 53 N 0.08 6.05 0.64 2.99 2.96 -1.26 -1.70 118.68 128.43 2kl2 s LEU 53 Ca 0.12 -1.98 -0.18 0.00 -0.22 0.00 0.00 54.13 51.86 2kl2 s LEU 53 Cb -0.12 -2.25 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 2kl2 s LEU 53 CO 0.01 -0.86 1.26 -0.76 -1.32 0.00 0.00 176.35 174.68 2kl2 s LEU 54 N 1.56 3.59 -1.03 -0.68 2.01 -1.08 -2.63 118.68 120.42 2kl2 s LEU 54 Ca 0.12 2.54 -0.23 0.00 0.01 0.00 0.00 54.13 56.58 2kl2 s LEU 54 Cb -0.20 -4.61 0.05 0.00 0.01 0.00 0.00 46.19 41.44 2kl2 s LEU 54 CO -0.01 -1.90 1.45 -0.47 1.01 0.00 0.00 176.35 176.44 2kl2 s TYR 55 N -1.48 2.56 -0.37 0.29 5.04 -0.43 -4.22 117.35 118.73 2kl2 s TYR 55 Ca 0.81 -0.89 0.02 0.00 -2.44 0.00 0.00 57.07 54.56 2kl2 s TYR 55 Cb -0.35 -4.69 0.15 0.00 0.35 0.00 0.00 41.96 37.42 2kl2 s TYR 55 CO 0.38 -1.92 0.27 -1.17 -1.34 0.00 0.00 175.55 171.77 2kl2 s LEU 56 N 4.88 1.01 0.55 6.97 0.20 -1.26 -4.99 118.68 126.05 2kl2 s LEU 56 Ca 0.46 -2.44 -0.21 0.00 0.69 0.00 0.00 54.13 52.64 2kl2 s LEU 56 Cb 0.00 -0.32 -0.05 0.00 -0.43 0.00 0.00 46.19 45.40 2kl2 s LEU 56 CO -0.09 -0.26 1.28 -2.16 -0.29 0.00 0.00 176.35 174.83 2kl2 s PRO 57 N 0.76 3.14 0.00 0.98 0.04 -1.26 -3.23 135.00 135.43 2kl2 s PRO 57 Ca 0.23 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2kl2 s PRO 57 Cb -0.13 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2kl2 s PRO 57 CO -0.06 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.26 2kl2 n GLY 58 N 0.65 0.70 2.81 0.56 0.00 0.81 -4.88 105.19 105.84 2kl2 n GLY 58 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 2kl2 n GLY 58 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kl2 s LYS 59 N -0.30 0.98 0.00 1.61 2.36 -0.76 -4.76 119.74 118.88 2kl2 s LYS 59 Ca 0.00 -0.47 0.00 0.00 -2.55 0.00 0.00 55.97 52.95 2kl2 s LYS 59 Cb 0.00 -2.03 0.00 0.00 -1.05 0.00 0.00 37.83 34.75 2kl2 s LYS 59 CO 0.00 -0.54 0.00 0.41 1.55 0.00 0.00 175.35 176.77 2kl2 n GLY 60 N 4.96 0.08 3.19 5.54 0.00 -1.26 -2.21 105.19 115.49 2kl2 n GLY 60 Ca -0.10 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 2kl2 n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kl2 s HIS 61 N -4.00 1.05 -1.22 1.61 3.76 -1.02 -4.67 115.29 110.80 2kl2 s HIS 61 Ca 0.00 -1.32 -0.13 0.00 -0.15 0.00 0.00 55.06 53.46 2kl2 s HIS 61 Cb 0.00 -0.52 0.17 0.00 1.11 0.00 0.00 32.58 33.34 2kl2 s HIS 61 CO 0.00 -0.61 1.51 0.00 -0.85 0.00 0.00 174.74 174.79 2kl2 s VAL 63 N 1.40 2.41 0.41 0.00 0.11 -1.26 -4.49 120.40 118.97 2kl2 s VAL 63 Ca 0.42 0.12 -0.17 0.00 -2.93 0.00 0.00 61.98 59.43 2kl2 s VAL 63 Cb -0.01 -3.08 -0.09 0.00 -1.53 0.00 0.00 36.38 31.68 2kl2 s VAL 63 CO 0.00 0.00 0.86 0.42 -3.33 0.00 0.00 175.10 173.05 2kl2 s THR 64 N 2.02 4.57 0.34 5.04 -4.23 -1.10 -0.78 115.64 121.50 2kl2 s THR 64 Ca 0.77 1.12 -0.15 0.00 -1.18 0.00 0.00 61.69 62.25 2kl2 s THR 64 Cb -0.47 -3.65 0.03 0.00 1.34 0.00 0.00 72.50 69.76 2kl2 s THR 64 CO 0.34 -0.37 0.69 -0.83 -0.54 0.00 0.00 174.62 173.91 2kl2 s GLY 65 N -2.52 0.42 0.31 3.99 0.00 -0.53 -4.61 107.32 104.38 2kl2 s GLY 65 Ca 0.57 -0.75 0.07 0.00 0.00 0.00 0.00 44.72 44.61 2kl2 s GLY 65 CO 0.21 -0.38 0.26 -0.54 0.00 0.00 0.00 173.10 172.65 2kl2 s GLU 66 N -3.04 2.79 -0.26 2.90 8.01 -1.26 0.17 118.70 128.00 2kl2 s GLU 66 Ca 0.17 -1.22 -0.09 0.00 0.01 0.00 0.00 54.97 53.84 2kl2 s GLU 66 Cb -0.04 -2.50 -0.04 0.00 -4.31 0.00 0.00 34.13 27.23 2kl2 s GLU 66 CO 0.11 0.19 0.14 0.42 0.01 0.00 0.00 175.26 176.13 2kl2 s ILE 67 N -2.25 4.93 -0.24 -1.63 1.01 -0.17 -2.62 121.20 120.22 2kl2 s ILE 67 Ca 0.38 0.04 -0.06 0.00 0.00 0.00 0.00 60.65 61.01 2kl2 s ILE 67 Cb -0.06 -3.32 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 2kl2 s ILE 67 CO 0.26 0.30 0.04 -0.31 0.00 0.00 0.00 174.94 175.23 2kl2 s TYR 68 N 1.55 3.05 0.07 3.97 2.02 -0.62 -1.01 117.35 126.39 2kl2 s TYR 68 Ca 0.07 -0.63 -0.31 0.00 -0.37 0.00 0.00 57.07 55.83 2kl2 s TYR 68 Cb -0.15 -2.20 -0.07 0.00 -0.40 0.00 0.00 41.96 39.14 2kl2 s TYR 68 CO 0.07 -0.44 1.43 -2.00 -1.57 0.00 0.00 175.55 173.05 2kl2 s GLU 69 N 1.56 4.29 0.16 -0.62 2.12 -0.21 -0.90 118.70 125.09 2kl2 s GLU 69 Ca 0.06 2.07 0.01 0.00 0.36 0.00 0.00 54.97 57.48 2kl2 s GLU 69 Cb -0.15 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 2kl2 s GLU 69 CO 0.01 -0.53 -0.00 0.14 -0.54 0.00 0.00 175.26 174.35 2kl2 s VAL 70 N 1.75 0.61 0.59 3.70 -7.23 -0.34 -0.46 120.40 119.01 2kl2 s VAL 70 Ca 0.66 -1.96 0.08 0.00 -1.81 0.00 0.00 61.98 58.94 2kl2 s VAL 70 Cb -0.35 -2.04 0.08 0.00 0.56 0.00 0.00 36.38 34.62 2kl2 s VAL 70 CO 0.29 -0.54 0.66 1.51 -0.31 0.00 0.00 175.10 176.72 2kl2 s ASP 71 N -3.14 4.85 0.23 4.85 -4.77 -1.15 -0.42 116.67 117.11 2kl2 s ASP 71 Ca 0.22 -1.08 -0.08 0.00 -3.30 0.00 0.00 52.55 48.31 2kl2 s ASP 71 Cb 0.06 0.51 0.21 0.00 -1.09 0.00 0.00 42.92 42.61 2kl2 s ASP 71 CO 0.02 -1.34 1.89 -0.33 0.70 0.00 0.00 175.17 176.12 2kl2 h GLU 72 N 0.34 1.09 -0.48 2.11 4.39 -1.98 -1.17 114.58 118.88 2kl2 h GLU 72 Ca -0.31 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.28 2kl2 h GLU 72 Cb 1.30 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 2kl2 h GLU 72 CO 0.47 0.72 0.12 0.37 -1.16 0.00 0.00 179.01 179.52 2kl2 h GLN 73 N 1.12 0.77 -0.06 2.33 5.75 -1.95 0.14 115.11 123.21 2kl2 h GLN 73 Ca 0.32 -0.19 -0.00 0.00 -0.15 0.00 0.00 58.65 58.63 2kl2 h GLN 73 Cb -0.09 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.36 2kl2 h GLN 73 CO -0.08 0.75 0.03 1.98 -2.65 0.00 0.00 178.83 178.86 2kl2 h MET 74 N 0.65 0.08 -0.79 1.69 4.05 -1.55 0.12 114.93 119.17 2kl2 h MET 74 Ca 0.15 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 2kl2 h MET 74 Cb 0.33 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.08 2kl2 h MET 74 CO 0.00 0.12 0.42 1.25 0.23 0.00 0.00 176.91 178.93 2kl2 h LEU 75 N 0.02 1.00 -0.38 3.39 5.85 -1.02 -0.74 115.31 123.42 2kl2 h LEU 75 Ca 0.02 -0.09 -0.17 0.00 0.84 0.00 0.00 57.88 58.48 2kl2 h LEU 75 Cb 0.06 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 2kl2 h LEU 75 CO -0.00 0.81 -0.50 0.03 -0.34 0.00 0.00 178.44 178.44 2kl2 h ARG 76 N 1.11 0.82 0.22 1.25 3.08 -0.52 -0.78 114.38 119.55 2kl2 h ARG 76 Ca 0.28 -0.49 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 2kl2 h ARG 76 Cb 0.05 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2kl2 h ARG 76 CO -0.04 1.12 -0.10 0.35 -1.07 0.00 0.00 179.97 180.22 2kl2 h PHE 77 N 0.64 -0.27 -0.13 3.04 3.57 -0.43 -2.63 116.94 120.73 2kl2 h PHE 77 Ca 0.03 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2kl2 h PHE 77 Cb 1.09 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 2kl2 h PHE 77 CO 0.06 -0.05 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.00 2kl2 h LEU 78 N -0.45 0.17 -1.44 0.59 4.07 -1.17 -0.52 115.31 116.56 2kl2 h LEU 78 Ca -0.03 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.88 2kl2 h LEU 78 Cb 0.34 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 2kl2 h LEU 78 CO 0.05 0.23 0.00 -0.78 -1.08 0.00 0.00 178.44 176.86 2kl2 h ASP 79 N 0.19 0.34 0.10 -0.43 3.58 -0.93 -1.68 116.42 117.59 2kl2 h ASP 79 Ca 0.05 -0.05 -0.14 0.00 0.42 0.00 0.00 57.03 57.30 2kl2 h ASP 79 Cb 0.17 -0.09 0.02 0.00 1.72 0.00 0.00 39.33 41.15 2kl2 h ASP 79 CO 0.01 0.40 -0.62 -0.78 -2.88 0.00 0.00 179.24 175.36 2kl2 h ASP 80 N 0.36 0.37 -0.57 2.28 3.58 -0.95 -3.11 116.42 118.39 2kl2 h ASP 80 Ca 0.08 -0.95 -0.04 0.00 0.42 0.00 0.00 57.03 56.55 2kl2 h ASP 80 Cb 0.24 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 2kl2 h ASP 80 CO 0.01 1.29 0.22 0.15 -2.88 0.00 0.00 179.24 178.03 2kl2 h PHE 81 N -0.49 0.87 0.00 0.28 3.57 -0.94 -1.81 116.94 118.41 2kl2 h PHE 81 Ca -0.11 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.32 2kl2 h PHE 81 Cb 1.48 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.96 2kl2 h PHE 81 CO 0.21 0.71 0.00 0.39 -2.23 0.00 0.00 178.31 177.39 2kl2 n GLU 82 N -4.48 1.00 -1.83 1.11 -0.58 -0.65 -4.88 120.64 110.33 2kl2 n GLU 82 Ca 0.03 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.67 2kl2 n GLU 82 Cb 0.17 -1.05 -0.02 0.00 -0.57 0.00 0.00 31.44 29.97 2kl2 n GLU 82 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2kl2 n ASP 83 N -0.55 -2.84 -4.70 1.62 2.03 -0.68 -4.20 116.55 107.24 2kl2 n ASP 83 Ca 0.02 0.25 -0.30 0.00 0.52 0.00 0.00 54.79 55.28 2kl2 n ASP 83 Cb 0.01 -2.62 0.14 0.00 -0.72 0.00 0.00 41.12 37.94 2kl2 n ASP 83 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kl2 n PRO 85 N -3.99 0.33 0.10 0.00 -0.04 -1.26 -4.63 135.00 125.50 2kl2 n PRO 85 Ca 0.09 0.07 -0.04 0.00 -0.04 0.00 0.00 63.50 63.59 2kl2 n PRO 85 Cb 0.53 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 2kl2 n PRO 85 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kl2 h SER 86 N 0.00 -0.22 0.36 3.54 0.87 -1.49 -3.41 113.55 113.21 2kl2 h SER 86 Ca 0.00 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 2kl2 h SER 86 Cb 0.06 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2kl2 h SER 86 CO 0.00 -0.12 -0.17 0.24 -0.53 0.00 0.00 176.83 176.25 2kl2 h MET 87 N -0.33 -0.46 -5.98 2.24 2.86 -1.19 -3.46 114.93 108.60 2kl2 h MET 87 Ca -0.03 0.03 -0.56 0.00 -2.06 0.00 0.00 59.70 57.09 2kl2 h MET 87 Cb 0.19 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.91 2kl2 h MET 87 CO 0.04 -0.21 -0.37 0.71 1.06 0.00 0.00 176.91 178.14 2kl2 s TYR 88 N -3.52 2.16 0.00 -0.22 2.02 -1.26 -4.88 117.35 111.66 2kl2 s TYR 88 Ca -0.10 -0.69 0.00 0.00 -0.37 0.00 0.00 57.07 55.91 2kl2 s TYR 88 Cb 0.01 -1.99 0.00 0.00 -0.40 0.00 0.00 41.96 39.58 2kl2 s TYR 88 CO 0.33 -0.21 0.00 1.04 -1.57 0.00 0.00 175.55 175.13 2kl2 n GLN 89 N -1.57 3.25 -1.89 -0.62 3.00 0.07 -4.09 117.38 115.52 2kl2 n GLN 89 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2kl2 n GLN 89 Cb 0.64 -0.55 0.00 0.00 0.00 0.00 0.00 30.24 30.33 2kl2 n GLN 89 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2kl2 n ARG 90 N -0.72 -5.31 -4.19 -1.09 0.00 -1.22 -4.93 116.66 99.21 2kl2 n ARG 90 Ca 0.00 3.83 -0.12 0.00 -0.00 0.00 0.00 57.85 61.57 2kl2 n ARG 90 Cb 0.00 -4.23 -0.10 0.00 0.00 0.00 0.00 32.46 28.13 2kl2 n ARG 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2kl2 s THR 91 N -2.09 0.60 -0.17 5.15 2.01 -0.76 -4.87 115.64 115.52 2kl2 s THR 91 Ca 0.00 -1.95 -0.15 0.00 0.31 0.00 0.00 61.69 59.90 2kl2 s THR 91 Cb 0.00 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 2kl2 s THR 91 CO 0.00 -0.66 0.37 0.00 -0.69 0.00 0.00 174.62 173.64 2kl2 s ALA 92 N -3.70 3.55 0.45 7.40 0.00 -1.26 -1.48 121.76 126.73 2kl2 s ALA 92 Ca 0.18 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.74 2kl2 s ALA 92 Cb 0.06 -2.54 -0.01 0.00 0.00 0.00 0.00 23.12 20.63 2kl2 s ALA 92 CO -0.00 -0.08 0.10 -0.48 0.00 0.00 0.00 175.76 175.30 2kl2 s LEU 93 N 0.83 2.05 -0.19 0.00 -0.00 -0.77 -5.00 118.68 115.60 2kl2 s LEU 93 Ca 0.19 -1.72 -0.06 0.00 -0.00 0.00 0.00 54.13 52.54 2kl2 s LEU 93 Cb -0.14 -0.24 -0.03 0.00 -0.00 0.00 0.00 46.19 45.77 2kl2 s LEU 93 CO 0.07 -0.97 0.02 -1.58 -0.00 0.00 0.00 176.35 173.89 2kl2 s GLN 94 N -3.73 3.76 -0.01 1.48 2.00 -1.26 -2.63 119.66 119.27 2kl2 s GLN 94 Ca 0.16 -0.45 0.06 0.00 -2.00 0.00 0.00 55.36 53.12 2kl2 s GLN 94 Cb 0.01 -3.12 -0.02 0.00 0.80 0.00 0.00 33.01 30.69 2kl2 s GLN 94 CO 0.11 0.14 -0.18 0.08 -0.50 0.00 0.00 175.29 174.93 2kl2 s VAL 95 N 0.70 1.42 0.21 1.34 1.01 -0.49 -4.08 120.40 120.50 2kl2 s VAL 95 Ca 0.01 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 2kl2 s VAL 95 Cb -0.14 -1.19 -0.08 0.00 0.00 0.00 0.00 36.38 34.97 2kl2 s VAL 95 CO 0.02 0.37 1.21 -1.58 0.00 0.00 0.00 175.10 175.12 2kl2 s GLN 96 N -0.51 4.48 -1.03 2.72 0.74 -0.59 -1.03 119.66 124.45 2kl2 s GLN 96 Ca 0.07 1.92 -0.22 0.00 0.05 0.00 0.00 55.36 57.18 2kl2 s GLN 96 Cb -0.07 -3.22 0.07 0.00 1.10 0.00 0.00 33.01 30.89 2kl2 s GLN 96 CO -0.00 -0.09 1.41 0.08 -0.55 0.00 0.00 175.29 176.14 2kl2 s VAL 97 N -0.23 4.12 0.42 1.34 1.01 0.83 -2.85 120.40 125.04 2kl2 s VAL 97 Ca 0.52 -1.06 0.30 0.00 0.00 0.00 0.00 61.98 61.75 2kl2 s VAL 97 Cb -0.34 -5.01 0.33 0.00 0.00 0.00 0.00 36.38 31.36 2kl2 s VAL 97 CO 0.38 -1.85 2.11 -0.07 0.00 0.00 0.00 175.10 175.67 2kl2 h LEU 98 N 12.23 0.00 -7.18 3.92 -0.00 -0.98 -3.45 115.31 119.85 2kl2 h LEU 98 Ca 0.21 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 58.19 2kl2 h LEU 98 Cb 1.00 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 41.53 2kl2 h LEU 98 CO 1.36 0.09 0.43 -1.61 -0.00 0.00 0.00 178.44 178.71 2kl2 s GLU 99 N -4.15 1.02 -0.04 1.13 2.02 -1.15 -4.82 118.70 112.70 2kl2 s GLU 99 Ca -0.03 -0.43 0.01 0.00 0.02 0.00 0.00 54.97 54.54 2kl2 s GLU 99 Cb 0.13 0.43 0.02 0.00 0.10 0.00 0.00 34.13 34.81 2kl2 s GLU 99 CO 0.56 -0.45 -0.04 -0.46 0.02 0.00 0.00 175.26 174.89 2kl2 s TRP 100 N -3.30 0.64 -0.56 1.61 -0.11 -1.26 -0.59 118.94 115.36 2kl2 s TRP 100 Ca 0.06 -0.15 0.02 0.00 1.22 0.00 0.00 56.10 57.25 2kl2 s TRP 100 Cb -0.01 -0.59 0.14 0.00 -1.50 0.00 0.00 33.47 31.51 2kl2 s TRP 100 CO -0.07 -0.17 0.32 -1.21 -4.62 0.00 0.00 176.95 171.21 2kl2 s GLU 101 N 0.88 2.16 0.00 5.86 0.41 -1.26 -4.76 118.70 121.99 2kl2 s GLU 101 Ca -0.11 -2.66 0.00 0.00 -0.41 0.00 0.00 54.97 51.78 2kl2 s GLU 101 Cb -0.14 -3.43 0.00 0.00 -1.78 0.00 0.00 34.13 28.78 2kl2 s GLU 101 CO -0.00 -1.14 0.00 0.41 -0.49 0.00 0.00 175.26 174.04 2kl2 n GLY 102 N 3.10 0.92 3.69 -1.39 0.00 -1.26 -4.47 105.19 105.78 2kl2 n GLY 102 Ca 0.07 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 2kl2 n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kl2 s ASP 103 N -3.18 6.41 0.00 1.61 2.15 -1.26 -4.75 116.67 117.65 2kl2 s ASP 103 Ca 0.00 2.77 0.00 0.00 0.43 0.00 0.00 52.55 55.75 2kl2 s ASP 103 Cb 0.00 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 2kl2 s ASP 103 CO 0.00 -1.01 0.00 0.61 -0.17 0.00 0.00 175.17 174.60 2kl2 n GLY 104 N 4.24 0.88 3.30 2.66 0.00 -1.26 -5.09 105.19 109.93 2kl2 n GLY 104 Ca 0.18 -0.50 -0.46 0.00 0.00 0.00 0.00 46.02 45.24 2kl2 n GLY 104 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kl2 s ASP 105 N 0.00 6.59 0.09 1.61 2.15 -1.26 -4.96 116.67 120.90 2kl2 s ASP 105 Ca 0.00 -2.75 -0.28 0.00 0.43 0.00 0.00 52.55 49.94 2kl2 s ASP 105 Cb 0.00 -2.17 -0.13 0.00 -0.30 0.00 0.00 42.92 40.33 2kl2 s ASP 105 CO 0.00 -0.53 1.65 1.55 -0.17 0.00 0.00 175.17 177.66 2kl2 h PRO 106 N 7.63 -0.52 0.00 4.34 0.13 -1.99 -3.50 132.00 138.10 2kl2 h PRO 106 Ca 0.10 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2kl2 h PRO 106 Cb 1.02 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kl2 h PRO 106 CO 0.75 -0.35 0.00 0.41 -0.23 0.00 0.00 178.00 178.58 2kl2 n GLY 107 N -1.37 -1.09 0.07 1.56 0.00 -1.26 -4.95 105.19 98.15 2kl2 n GLY 107 Ca -0.09 -1.10 0.07 0.00 0.00 0.00 0.00 46.02 44.90 2kl2 n GLY 107 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kl2 n ASP 108 N 1.64 0.28 -4.18 1.61 2.03 -1.26 -4.65 116.55 112.01 2kl2 n ASP 108 Ca 0.00 0.60 -0.14 0.00 0.52 0.00 0.00 54.79 55.77 2kl2 n ASP 108 Cb 0.00 -0.65 -0.11 0.00 -0.72 0.00 0.00 41.12 39.65 2kl2 n ASP 108 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2kl2 s SER 109 N -3.51 1.46 0.10 1.67 1.04 -1.26 -0.12 113.70 113.08 2kl2 s SER 109 Ca 0.02 -0.86 -0.04 0.00 0.48 0.00 0.00 55.95 55.56 2kl2 s SER 109 Cb 0.06 0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 2kl2 s SER 109 CO 0.20 -0.29 0.09 0.54 0.98 0.00 0.00 173.24 174.76 2kl2 s VAL 110 N -2.67 0.14 -0.09 5.02 0.11 -0.20 -4.80 120.40 117.91 2kl2 s VAL 110 Ca 0.07 -1.66 -0.13 0.00 -2.93 0.00 0.00 61.98 57.33 2kl2 s VAL 110 Cb -0.01 -1.72 -0.05 0.00 -1.53 0.00 0.00 36.38 33.07 2kl2 s VAL 110 CO -0.00 -0.64 0.32 -1.58 -3.33 0.00 0.00 175.10 169.87 2kl2 s GLN 111 N -3.96 4.01 0.19 1.54 -0.44 -1.26 -1.40 119.66 118.33 2kl2 s GLN 111 Ca 0.14 0.20 -0.02 0.00 -2.50 0.00 0.00 55.36 53.18 2kl2 s GLN 111 Cb 0.06 -3.31 -0.04 0.00 -1.64 0.00 0.00 33.01 28.08 2kl2 s GLN 111 CO -0.05 0.48 0.15 0.00 0.50 0.00 0.00 175.29 176.37 2kl2 s PHE 113 N -4.11 3.54 0.02 0.00 0.08 -1.02 -1.84 117.98 114.64 2kl2 s PHE 113 Ca 0.33 0.37 0.01 0.00 0.12 0.00 0.00 56.93 57.76 2kl2 s PHE 113 Cb 0.06 -1.83 -0.02 0.00 -0.57 0.00 0.00 43.02 40.66 2kl2 s PHE 113 CO 0.09 0.65 -0.04 0.08 -0.10 0.00 0.00 175.22 175.90 2kl2 s VAL 114 N -1.29 0.24 -0.38 -0.44 1.01 -0.55 -2.67 120.40 116.33 2kl2 s VAL 114 Ca 0.26 -0.74 -0.28 0.00 0.00 0.00 0.00 61.98 61.21 2kl2 s VAL 114 Cb -0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 2kl2 s VAL 114 CO 0.17 -0.33 1.68 -0.31 0.00 0.00 0.00 175.10 176.32 2kl2 s TYR 115 N -1.07 1.98 0.38 5.22 2.02 -1.26 -1.83 117.35 122.79 2kl2 s TYR 115 Ca -0.10 0.64 0.04 0.00 -0.37 0.00 0.00 57.07 57.28 2kl2 s TYR 115 Cb -0.08 -4.19 -0.05 0.00 -0.40 0.00 0.00 41.96 37.24 2kl2 s TYR 115 CO -0.00 -2.61 0.06 0.95 -1.57 0.00 0.00 175.55 172.37 2kl2 s THR 116 N 6.59 1.24 0.03 -0.71 -4.23 -1.26 -4.56 115.64 112.74 2kl2 s THR 116 Ca 0.73 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.27 2kl2 s THR 116 Cb -0.19 -2.68 -0.02 0.00 1.34 0.00 0.00 72.50 70.95 2kl2 s THR 116 CO 0.32 0.00 -0.11 0.28 -0.54 0.00 0.00 174.62 174.58 2kl2 s THR 117 N -3.12 0.81 -0.30 3.99 -1.32 -1.08 -0.75 115.64 113.87 2kl2 s THR 117 Ca 0.30 -0.88 0.08 0.00 -1.21 0.00 0.00 61.69 59.99 2kl2 s THR 117 Cb 0.07 -0.77 -0.10 0.00 -1.51 0.00 0.00 72.50 70.20 2kl2 s THR 117 CO 0.14 -0.09 0.31 0.00 -2.21 0.00 0.00 174.62 172.78 2kl2 n ALA 118 N 1.97 2.90 -3.17 11.08 0.00 -1.26 -1.32 120.51 130.71 2kl2 n ALA 118 Ca -0.18 -0.23 -0.26 0.00 0.00 0.00 0.00 53.44 52.77 2kl2 n ALA 118 Cb 0.55 -0.30 -0.06 0.00 0.00 0.00 0.00 19.45 19.65 2kl2 n ALA 118 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2kl2 n THR 119 N -1.33 2.21 -3.93 0.00 5.66 -1.26 -5.01 114.28 110.62 2kl2 n THR 119 Ca 0.01 -5.23 -0.21 0.00 -3.05 0.00 0.00 64.05 55.57 2kl2 n THR 119 Cb 0.15 -1.61 -0.03 0.00 -1.55 0.00 0.00 70.33 67.29 2kl2 n THR 119 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2kl2 s TYR 120 N -2.81 3.28 0.67 1.09 1.13 -1.26 -5.13 117.35 114.32 2kl2 s TYR 120 Ca 0.44 -0.09 -0.13 0.00 -1.41 0.00 0.00 57.07 55.88 2kl2 s TYR 120 Cb 0.23 -1.60 0.00 0.00 -1.10 0.00 0.00 41.96 39.49 2kl2 s TYR 120 CO -0.08 0.38 1.07 0.00 -2.51 0.00 0.00 175.55 174.41 2kl2 s ALA 121 N -2.07 2.62 0.19 9.51 0.00 -1.26 -5.01 121.76 125.75 2kl2 s ALA 121 Ca 0.36 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.59 2kl2 s ALA 121 Cb -0.09 -3.22 0.10 0.00 0.00 0.00 0.00 23.12 19.92 2kl2 s ALA 121 CO 0.28 -1.18 1.46 -1.00 0.00 0.00 0.00 175.76 175.32 2kl2 h PRO 122 N -0.35 0.27 -0.86 0.00 0.13 -2.03 -3.24 132.00 125.93 2kl2 h PRO 122 Ca -0.45 -0.23 0.22 0.00 -0.87 0.00 0.00 66.00 64.67 2kl2 h PRO 122 Cb 1.22 0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.27 2kl2 h PRO 122 CO 0.56 0.89 0.25 1.05 -0.23 0.00 0.00 178.00 180.52 2kl2 h GLU 123 N 0.18 0.24 0.00 0.86 9.09 -2.02 -1.40 114.58 121.53 2kl2 h GLU 123 Ca -0.03 -0.01 -0.00 0.00 0.05 0.00 0.00 59.36 59.37 2kl2 h GLU 123 Cb 1.31 -0.05 -0.00 0.00 -1.65 0.00 0.00 28.75 28.35 2kl2 h GLU 123 CO 0.12 0.16 -0.01 -1.49 0.05 0.00 0.00 179.01 177.84 2kl2 h TRP 124 N 0.25 0.00 0.00 2.06 6.55 -1.97 -0.40 115.95 122.44 2kl2 h TRP 124 Ca 0.53 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.37 2kl2 h TRP 124 Cb 1.04 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.34 2kl2 h TRP 124 CO -0.24 0.01 0.00 1.28 -1.05 0.00 0.00 178.44 178.43 2kl2 n LEU 125 N -3.40 0.01 -0.16 -4.49 4.77 -0.53 -3.10 117.00 110.11 2kl2 n LEU 125 Ca -0.03 0.50 0.11 0.00 -0.03 0.00 0.00 56.01 56.57 2kl2 n LEU 125 Cb 0.09 -0.50 0.10 0.00 -2.33 0.00 0.00 43.42 40.78 2kl2 n LEU 125 CO 0.23 -0.12 0.30 0.49 -1.33 0.00 0.00 177.39 176.96 2kl2 n PHE 126 N -1.51 0.00 -1.57 -1.77 3.72 -0.16 -4.97 117.46 111.19 2kl2 n PHE 126 Ca 0.05 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.14 2kl2 n PHE 126 Cb 0.26 -0.09 0.06 0.00 -0.94 0.00 0.00 39.48 38.77 2kl2 n PHE 126 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2kl2 s LEU 127 N -2.79 3.18 0.39 4.37 2.01 -1.18 -4.99 118.68 119.67 2kl2 s LEU 127 Ca 0.14 1.74 -0.28 0.00 0.01 0.00 0.00 54.13 55.75 2kl2 s LEU 127 Cb 0.17 -4.51 -0.11 0.00 0.01 0.00 0.00 46.19 41.75 2kl2 s LEU 127 CO 0.69 -1.59 1.47 -0.81 1.01 0.00 0.00 176.35 177.12 2kl2 n PRO 128 N -3.01 2.57 -3.27 1.29 -0.04 -1.26 -4.94 135.00 126.35 2kl2 n PRO 128 Ca 0.08 0.90 -0.27 0.00 -0.04 0.00 0.00 63.50 64.18 2kl2 n PRO 128 Cb 0.53 -2.64 -0.02 0.00 -0.04 0.00 0.00 33.50 31.32 2kl2 n PRO 128 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2kl2 s TYR 129 N -1.13 3.49 0.23 0.54 1.51 -1.26 -4.11 117.35 116.62 2kl2 s TYR 129 Ca 0.55 0.59 -0.00 0.00 -1.01 0.00 0.00 57.07 57.20 2kl2 s TYR 129 Cb -0.48 -2.08 -0.03 0.00 -0.11 0.00 0.00 41.96 39.26 2kl2 s TYR 129 CO 0.63 0.11 0.19 -1.01 -1.11 0.00 0.00 175.55 174.36 2kl2 s HIS 130 N -2.21 1.21 0.00 2.71 3.76 -0.96 -4.98 115.29 114.83 2kl2 s HIS 130 Ca 0.43 -1.38 0.00 0.00 -0.15 0.00 0.00 55.06 53.96 2kl2 s HIS 130 Cb -0.10 -0.52 0.00 0.00 1.11 0.00 0.00 32.58 33.06 2kl2 s HIS 130 CO 0.33 -0.72 0.14 -1.91 -0.85 0.00 0.00 174.74 171.73 2kl2 n GLU 131 N -0.35 -0.09 -3.98 1.40 2.13 -1.26 -4.44 120.64 114.05 2kl2 n GLU 131 Ca 0.03 -0.15 -0.09 0.00 0.66 0.00 0.00 57.16 57.60 2kl2 n GLU 131 Cb 0.65 -0.58 -0.04 0.00 0.27 0.00 0.00 31.44 31.73 2kl2 n GLU 131 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2kl2 s SER 132 N -0.02 0.02 -0.32 4.31 1.04 -1.26 -2.69 113.70 114.78 2kl2 s SER 132 Ca 0.00 -0.98 0.03 0.00 0.48 0.00 0.00 55.95 55.48 2kl2 s SER 132 Cb 0.00 0.63 0.09 0.00 0.10 0.00 0.00 66.02 66.84 2kl2 s SER 132 CO 0.00 -1.22 0.02 -0.47 0.98 0.00 0.00 173.24 172.55 2kl2 s TYR 133 N -3.76 3.35 -0.24 5.02 5.04 -1.23 -5.04 117.35 120.49 2kl2 s TYR 133 Ca 0.22 -2.66 0.00 0.00 -2.44 0.00 0.00 57.07 52.19 2kl2 s TYR 133 Cb -0.02 -2.52 0.03 0.00 0.35 0.00 0.00 41.96 39.81 2kl2 s TYR 133 CO 0.10 -0.92 -0.11 -0.51 -1.34 0.00 0.00 175.55 172.78 2kl2 s ASP 134 N 1.05 4.07 0.61 4.32 1.11 -1.26 -4.74 116.67 121.83 2kl2 s ASP 134 Ca 0.06 -0.97 0.34 0.00 0.18 0.00 0.00 52.55 52.17 2kl2 s ASP 134 Cb -0.19 -1.59 1.97 0.00 1.07 0.00 0.00 42.92 44.18 2kl2 s ASP 134 CO -0.09 -0.12 2.28 -1.28 1.18 0.00 0.00 175.17 177.14 2kl2 h SER 135 N 7.93 0.00 -3.74 0.27 0.87 -1.98 -3.21 113.55 113.69 2kl2 h SER 135 Ca -0.32 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.61 2kl2 h SER 135 Cb 1.10 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.64 2kl2 h SER 135 CO 0.56 0.01 -0.61 -1.83 -0.53 0.00 0.00 176.83 174.43 2kl2 s GLU 136 N -4.45 2.17 0.34 2.24 -1.05 -1.26 -4.96 118.70 111.72 2kl2 s GLU 136 Ca -0.05 -2.94 -0.08 0.00 -0.15 0.00 0.00 54.97 51.75 2kl2 s GLU 136 Cb 0.14 -3.31 0.02 0.00 -0.44 0.00 0.00 34.13 30.54 2kl2 s GLU 136 CO 0.51 -1.20 0.58 0.20 0.95 0.00 0.00 175.26 176.30 2kl2 s GLY 137 N -0.81 0.97 0.28 -3.83 0.00 -1.21 -5.06 107.32 97.65 2kl2 s GLY 137 Ca 0.21 -1.16 0.25 0.00 0.00 0.00 0.00 44.72 44.02 2kl2 s GLY 137 CO -0.08 -0.71 1.75 -0.56 0.00 0.00 0.00 173.10 173.50 2kl2 h PRO 138 N 2.10 0.00 -0.38 2.90 0.13 -1.97 -3.35 132.00 131.42 2kl2 h PRO 138 Ca -0.29 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.88 2kl2 h PRO 138 Cb 1.24 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 2kl2 h PRO 138 CO 0.38 0.00 -0.43 0.45 -0.23 0.00 0.00 178.00 178.17 2kl2 h HIS 139 N 0.00 -1.34 0.00 1.56 3.86 -1.97 -3.46 115.15 113.80 2kl2 h HIS 139 Ca 0.00 0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2kl2 h HIS 139 Cb 0.53 0.63 0.00 0.00 1.06 0.00 0.00 27.41 29.63 2kl2 h HIS 139 CO 0.00 -0.36 0.00 0.41 0.86 0.00 0.00 177.93 178.84 2kl2 n GLY 140 N -1.27 2.83 3.26 2.45 0.00 -1.26 -4.95 105.19 106.25 2kl2 n GLY 140 Ca -0.02 -0.74 -0.17 0.00 0.00 0.00 0.00 46.02 45.09 2kl2 n GLY 140 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kl2 n LEU 141 N 0.00 -0.13 -5.00 0.99 -0.00 -1.26 -4.93 117.00 106.67 2kl2 n LEU 141 Ca 0.00 -1.35 -0.18 0.00 -0.00 0.00 0.00 56.01 54.48 2kl2 n LEU 141 Cb 0.00 -0.59 0.02 0.00 -0.00 0.00 0.00 43.42 42.85 2kl2 n LEU 141 CO 0.00 -1.92 0.22 -0.13 -0.00 0.00 0.00 177.39 175.55 2kl2 s ARG 142 N 5.65 2.73 0.53 1.47 1.81 -1.26 -4.93 118.95 124.95 2kl2 s ARG 142 Ca 0.37 -1.13 -0.19 0.00 -1.72 0.00 0.00 55.73 53.06 2kl2 s ARG 142 Cb 0.04 -2.68 -0.06 0.00 -0.45 0.00 0.00 34.95 31.79 2kl2 s ARG 142 CO 0.14 -0.41 1.10 -0.47 -0.68 0.00 0.00 175.30 174.98 2kl2 s TYR 143 N -2.48 2.77 -0.61 -0.53 5.04 -1.26 -4.66 117.35 115.62 2kl2 s TYR 143 Ca 0.56 1.55 0.04 0.00 -2.44 0.00 0.00 57.07 56.78 2kl2 s TYR 143 Cb -0.10 -3.22 0.16 0.00 0.35 0.00 0.00 41.96 39.15 2kl2 s TYR 143 CO 0.35 -1.36 0.40 -0.80 -1.34 0.00 0.00 175.55 172.80 2kl2 s ASN 144 N -1.89 4.27 0.00 4.32 0.01 -1.17 -4.90 114.94 115.58 2kl2 s ASN 144 Ca 0.71 -3.47 0.25 0.00 -0.71 0.00 0.00 52.86 49.64 2kl2 s ASN 144 Cb -0.21 -1.46 1.50 0.00 0.41 0.00 0.00 41.25 41.48 2kl2 s ASN 144 CO 0.26 -0.14 1.86 -0.81 -1.51 0.00 0.00 177.10 176.76 2kl2 n PRO 145 N 2.47 0.78 -2.67 -0.60 -0.04 -1.26 -4.90 135.00 128.76 2kl2 n PRO 145 Ca 0.16 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.50 2kl2 n PRO 145 Cb 0.35 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.31 2kl2 n PRO 145 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2kl2 n ARG 146 N -1.01 -2.62 0.33 0.54 3.00 -1.26 -4.82 116.66 110.82 2kl2 n ARG 146 Ca 0.19 0.44 0.20 0.00 -0.00 0.00 0.00 57.85 58.67 2kl2 n ARG 146 Cb 0.09 -5.04 1.07 0.00 0.00 0.00 0.00 32.46 28.58 2kl2 n ARG 146 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 2kl2 h GLU 147 N -0.21 0.00 0.00 -0.14 4.11 -1.98 -3.09 114.58 113.27 2kl2 h GLU 147 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 2kl2 h GLU 147 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2kl2 h GLU 147 CO 0.32 0.00 -0.02 0.27 0.07 0.00 0.00 179.01 179.65 2kl2 n ASN 148 N -3.12 0.00 -0.66 3.06 6.94 -1.26 -5.28 115.26 114.93 2kl2 n ASN 148 Ca -0.02 -1.04 0.08 0.00 -0.02 0.00 0.00 54.58 53.58 2kl2 n ASN 148 Cb 0.18 -0.01 0.07 0.00 -2.36 0.00 0.00 39.78 37.66 2kl2 n ASN 148 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77