#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 -0.55 0.09 3.04 0.00 -0.12 -4.91 121.76 119.31 2kl2 s ALA 2 Ca 0.00 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.21 2kl2 s ALA 2 Cb 0.00 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 2kl2 s ALA 2 CO 0.00 -0.96 -0.13 -1.01 0.00 0.00 0.00 175.76 173.66 2kl2 s HIS 3 N -2.81 1.23 0.24 0.00 0.09 -1.26 -1.36 115.29 111.43 2kl2 s HIS 3 Ca 0.17 -0.52 0.01 0.00 -0.00 0.00 0.00 55.06 54.72 2kl2 s HIS 3 Cb -0.04 -0.67 -0.04 0.00 -0.00 0.00 0.00 32.58 31.82 2kl2 s HIS 3 CO 0.12 0.07 0.15 0.96 -0.00 0.00 0.00 174.74 176.04 2kl2 s ILE 4 N -1.75 0.13 -0.08 0.60 -4.36 -0.84 -1.54 121.20 113.35 2kl2 s ILE 4 Ca 0.02 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.45 2kl2 s ILE 4 Cb -0.07 -2.52 -0.01 0.00 1.25 0.00 0.00 42.46 41.11 2kl2 s ILE 4 CO 0.02 0.00 -0.21 0.12 0.24 0.00 0.00 174.94 175.11 2kl2 s PHE 5 N -3.91 2.58 0.01 1.37 5.36 -1.17 -3.17 117.98 119.05 2kl2 s PHE 5 Ca 0.39 -0.73 -0.17 0.00 -0.96 0.00 0.00 56.93 55.45 2kl2 s PHE 5 Cb 0.06 -1.68 -0.06 0.00 -0.34 0.00 0.00 43.02 41.00 2kl2 s PHE 5 CO 0.16 -0.23 0.49 0.14 -1.46 0.00 0.00 175.22 174.32 2kl2 s VAL 6 N 0.02 4.94 0.14 3.12 -7.23 -1.00 -4.88 120.40 115.49 2kl2 s VAL 6 Ca -0.08 1.03 -0.04 0.00 -1.81 0.00 0.00 61.98 61.08 2kl2 s VAL 6 Cb -0.15 -3.81 -0.16 0.00 0.56 0.00 0.00 36.38 32.82 2kl2 s VAL 6 CO 0.05 0.52 1.34 1.88 -0.31 0.00 0.00 175.10 178.58 2kl2 h TYR 7 N 5.03 0.64 0.00 2.82 0.05 -1.91 -3.37 116.97 120.23 2kl2 h TYR 7 Ca -0.49 -0.33 0.00 0.00 0.05 0.00 0.00 58.73 57.97 2kl2 h TYR 7 Cb 1.21 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.87 2kl2 h TYR 7 CO 0.68 1.13 0.00 0.41 -1.05 0.00 0.00 178.16 179.33 2kl2 n GLY 8 N 0.82 2.19 0.30 3.88 0.00 -1.26 -4.08 105.19 107.03 2kl2 n GLY 8 Ca -0.06 -0.22 0.17 0.00 0.00 0.00 0.00 46.02 45.90 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 0.36 -2.08 2.61 1.35 -1.91 -1.28 112.91 111.96 2kl2 h THR 9 Ca 0.00 -0.19 -0.53 0.00 -0.55 0.00 0.00 66.41 65.14 2kl2 h THR 9 Cb 0.00 1.14 -0.40 0.00 -1.73 0.00 0.00 68.15 67.15 2kl2 h THR 9 CO 0.00 0.03 -1.02 0.18 -0.25 0.00 0.00 175.52 174.47 2kl2 n LEU 10 N -3.52 1.74 0.00 3.87 4.32 -1.26 -3.44 117.00 118.70 2kl2 n LEU 10 Ca -0.02 -5.14 0.00 0.00 -0.02 0.00 0.00 56.01 50.83 2kl2 n LEU 10 Cb 0.14 0.32 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 2kl2 n LEU 10 CO 0.26 2.25 0.00 1.17 -1.22 0.00 0.00 177.39 179.85 2kl2 n LYS 11 N 0.40 0.00 0.00 3.23 0.00 -0.54 -4.93 118.16 116.33 2kl2 n LYS 11 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.57 2kl2 n LYS 11 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 35.03 35.58 2kl2 n LYS 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2kl2 n ARG 12 N -2.42 0.00 -0.68 1.64 3.00 -0.89 -5.02 116.66 112.30 2kl2 n ARG 12 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.85 57.81 2kl2 n ARG 12 Cb 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 32.46 32.29 2kl2 n ARG 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kl2 n GLY 13 N 2.82 -0.13 3.63 -0.13 0.00 -1.26 -5.11 105.19 105.01 2kl2 n GLY 13 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 0.55 0.50 1.61 1.11 -1.26 -4.89 119.66 117.28 2kl2 s GLN 14 Ca 0.00 1.30 0.33 0.00 0.01 0.00 0.00 55.36 57.00 2kl2 s GLN 14 Cb 0.00 -1.69 1.82 0.00 -1.01 0.00 0.00 33.01 32.13 2kl2 s GLN 14 CO 0.00 -2.87 2.02 -1.00 0.01 0.00 0.00 175.29 173.45 2kl2 h PRO 15 N -2.03 0.00 0.00 2.91 0.13 -1.95 -1.26 132.00 129.80 2kl2 h PRO 15 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kl2 h PRO 15 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2kl2 h PRO 15 CO 0.45 0.00 -0.43 -0.91 -0.23 0.00 0.00 178.00 176.88 2kl2 h ASN 16 N 0.00 0.00 -0.66 1.44 2.35 -1.91 -3.40 115.58 113.41 2kl2 h ASN 16 Ca 0.00 -0.08 0.04 0.00 -0.55 0.00 0.00 56.30 55.72 2kl2 h ASN 16 Cb 0.01 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 2kl2 h ASN 16 CO 0.00 0.04 0.43 -0.74 -1.65 0.00 0.00 177.43 175.51 2kl2 h HIS 17 N 0.00 0.73 0.00 1.19 2.76 -1.25 0.15 115.15 118.73 2kl2 h HIS 17 Ca 0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2kl2 h HIS 17 Cb 0.85 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.57 2kl2 h HIS 17 CO 0.00 0.42 0.00 1.57 -1.30 0.00 0.00 177.93 178.62 2kl2 h LYS 18 N 0.75 0.00 -0.65 5.26 5.09 -1.82 -3.03 116.57 122.16 2kl2 h LYS 18 Ca 0.27 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.95 2kl2 h LYS 18 Cb 0.13 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.43 2kl2 h LYS 18 CO -0.08 0.00 0.17 -0.39 -2.09 0.00 0.00 179.45 177.06 2kl2 h VAL 19 N 0.00 1.25 0.00 0.07 -1.51 -1.27 -2.40 116.25 112.39 2kl2 h VAL 19 Ca 0.00 -0.90 0.00 0.00 -1.23 0.00 0.00 66.70 64.57 2kl2 h VAL 19 Cb 0.07 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 29.79 2kl2 h VAL 19 CO 0.00 0.34 0.00 1.15 -1.23 0.00 0.00 177.57 177.83 2kl2 n MET 20 N -4.25 0.02 0.09 5.19 0.00 -1.14 -3.54 117.12 113.48 2kl2 n MET 20 Ca 0.05 0.09 0.13 0.00 0.00 0.00 0.00 57.70 57.97 2kl2 n MET 20 Cb 0.24 -1.53 0.36 0.00 0.00 0.00 0.00 33.22 32.29 2kl2 n MET 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2kl2 n LEU 21 N -1.58 0.74 -4.22 3.17 4.77 -0.90 -4.55 117.00 114.43 2kl2 n LEU 21 Ca 0.06 0.48 -0.41 0.00 -0.03 0.00 0.00 56.01 56.11 2kl2 n LEU 21 Cb 0.30 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 2kl2 n LEU 21 CO 0.24 -0.14 -0.01 -1.81 -1.33 0.00 0.00 177.39 174.34 2kl2 s ASP 22 N -4.34 5.74 0.63 -1.43 1.01 -1.23 -4.97 116.67 112.08 2kl2 s ASP 22 Ca 0.10 -1.89 0.33 0.00 0.71 0.00 0.00 52.55 51.80 2kl2 s ASP 22 Cb 0.13 -2.03 1.83 0.00 1.01 0.00 0.00 42.92 43.87 2kl2 s ASP 22 CO 0.62 -0.70 2.10 -0.74 0.21 0.00 0.00 175.17 176.67 2kl2 h HIS 23 N 8.48 0.00 0.00 4.23 -0.00 -1.80 0.44 115.15 126.50 2kl2 h HIS 23 Ca -0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.14 2kl2 h HIS 23 Cb 1.08 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.48 2kl2 h HIS 23 CO 0.64 0.00 -0.04 0.77 -0.00 0.00 0.00 177.93 179.30 2kl2 h SER 24 N 0.00 0.00 1.12 3.26 0.02 -1.95 -0.90 113.55 115.10 2kl2 h SER 24 Ca 0.05 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 2kl2 h SER 24 Cb 0.46 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 2kl2 h SER 24 CO -0.00 0.04 -0.54 0.45 -1.14 0.00 0.00 176.83 175.64 2kl2 h HIS 25 N 0.00 0.00 0.00 3.45 3.86 -1.21 -3.49 115.15 117.76 2kl2 h HIS 25 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2kl2 h HIS 25 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 2kl2 h HIS 25 CO 0.00 0.54 0.00 0.41 0.86 0.00 0.00 177.93 179.74 2kl2 n GLY 26 N 0.81 1.48 3.79 2.45 0.00 -0.34 -3.35 105.19 110.03 2kl2 n GLY 26 Ca 0.01 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 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 4.49 -0.34 0.99 2.96 -1.26 -4.31 118.68 121.22 2kl2 s LEU 27 Ca 0.00 1.64 0.01 0.00 -0.22 0.00 0.00 54.13 55.56 2kl2 s LEU 27 Cb 0.00 -3.50 0.14 0.00 0.50 0.00 0.00 46.19 43.33 2kl2 s LEU 27 CO 0.00 0.12 0.30 0.00 -1.32 0.00 0.00 176.35 175.45 2kl2 s ALA 28 N -1.32 0.01 -0.21 5.97 0.00 -1.25 -3.36 121.76 121.60 2kl2 s ALA 28 Ca 0.40 -1.11 -0.08 0.00 0.00 0.00 0.00 51.96 51.17 2kl2 s ALA 28 Cb -0.21 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 2kl2 s ALA 28 CO 0.25 -2.02 0.09 0.00 0.00 0.00 0.00 175.76 174.08 2kl2 s ALA 29 N 1.56 3.41 -0.40 0.00 0.00 -0.09 -4.90 121.76 121.34 2kl2 s ALA 29 Ca 0.15 -0.85 -0.27 0.00 0.00 0.00 0.00 51.96 50.99 2kl2 s ALA 29 Cb -0.17 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 2kl2 s ALA 29 CO -0.10 -0.03 2.05 0.12 0.00 0.00 0.00 175.76 177.80 2kl2 s PHE 30 N 0.76 1.45 -0.64 0.00 2.19 -1.26 -0.62 117.98 119.87 2kl2 s PHE 30 Ca 0.05 0.86 0.05 0.00 0.33 0.00 0.00 56.93 58.22 2kl2 s PHE 30 Cb -0.13 -3.95 0.28 0.00 -1.31 0.00 0.00 43.02 37.92 2kl2 s PHE 30 CO 0.02 -2.99 0.86 0.54 1.83 0.00 0.00 175.22 175.47 2kl2 n ARG 31 N 8.80 2.88 0.00 10.12 5.12 0.22 -4.78 116.66 139.02 2kl2 n ARG 31 Ca 0.27 -4.74 0.00 0.00 -1.93 0.00 0.00 57.85 51.45 2kl2 n ARG 31 Cb 0.49 -2.26 0.00 0.00 -1.16 0.00 0.00 32.46 29.53 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 0.46 -3.31 3.31 -0.13 0.00 -1.26 -4.48 105.19 99.78 2kl2 n GLY 32 Ca 0.30 -1.92 -0.16 0.00 0.00 0.00 0.00 46.02 44.24 2kl2 n GLY 32 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kl2 s ARG 33 N -0.78 1.27 0.12 1.61 1.70 -0.82 -1.58 118.95 120.47 2kl2 s ARG 33 Ca 0.00 -1.62 -0.21 0.00 -0.47 0.00 0.00 55.73 53.43 2kl2 s ARG 33 Cb 0.00 -0.59 0.07 0.00 -0.57 0.00 0.00 34.95 33.86 2kl2 s ARG 33 CO 0.00 -0.07 0.98 0.41 -1.08 0.00 0.00 175.30 175.54 2kl2 n GLY 34 N -0.37 0.56 2.87 3.88 0.00 -0.49 -0.42 105.19 111.23 2kl2 n GLY 34 Ca -0.06 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 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 0.31 3.32 0.31 0.00 -4.23 -0.38 -0.45 115.64 114.51 2kl2 s THR 36 Ca -0.02 0.20 0.08 0.00 -1.18 0.00 0.00 61.69 60.76 2kl2 s THR 36 Cb -0.04 -3.79 0.05 0.00 1.34 0.00 0.00 72.50 70.06 2kl2 s THR 36 CO -0.01 -0.75 1.72 -0.37 -0.54 0.00 0.00 174.62 174.68 2kl2 h VAL 37 N 6.99 1.31 -2.57 2.29 -1.51 -1.87 -3.35 116.25 117.54 2kl2 h VAL 37 Ca -0.26 -1.50 -0.55 0.00 -1.23 0.00 0.00 66.70 63.17 2kl2 h VAL 37 Cb 1.18 1.70 -0.00 0.00 -2.13 0.00 0.00 31.29 32.03 2kl2 h VAL 37 CO 1.20 0.44 1.12 -1.61 -1.23 0.00 0.00 177.57 177.49 2kl2 s GLU 38 N -4.13 4.13 0.89 5.19 8.01 -1.25 -4.94 118.70 126.60 2kl2 s GLU 38 Ca -0.04 2.22 -0.11 0.00 0.01 0.00 0.00 54.97 57.06 2kl2 s GLU 38 Cb 0.14 -4.03 0.13 0.00 -4.31 0.00 0.00 34.13 26.06 2kl2 s GLU 38 CO 0.76 -0.92 1.16 -1.54 0.01 0.00 0.00 175.26 174.74 2kl2 s SER 39 N 3.67 3.11 0.04 -0.19 1.04 -1.26 -4.66 113.70 115.46 2kl2 s SER 39 Ca 0.76 2.22 -0.15 0.00 0.48 0.00 0.00 55.95 59.27 2kl2 s SER 39 Cb -0.34 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.23 2kl2 s SER 39 CO 0.32 -2.98 0.33 -0.36 0.98 0.00 0.00 173.24 171.52 2kl2 s PHE 40 N -2.55 -0.14 -1.05 5.02 0.08 -0.20 0.01 117.98 119.15 2kl2 s PHE 40 Ca 0.68 0.04 -0.22 0.00 0.12 0.00 0.00 56.93 57.55 2kl2 s PHE 40 Cb -0.24 0.12 0.06 0.00 -0.57 0.00 0.00 43.02 42.39 2kl2 s PHE 40 CO 0.56 -0.51 1.46 -1.25 -0.10 0.00 0.00 175.22 175.38 2kl2 s PRO 41 N -2.47 3.64 -1.03 0.24 0.04 -0.76 -1.33 135.00 133.33 2kl2 s PRO 41 Ca -0.05 -1.29 -0.21 0.00 0.04 0.00 0.00 61.00 59.48 2kl2 s PRO 41 Cb -0.01 -5.34 0.08 0.00 0.04 0.00 0.00 34.50 29.27 2kl2 s PRO 41 CO -0.03 -2.17 1.38 -1.17 0.04 0.00 0.00 177.00 175.05 2kl2 s LEU 42 N 4.66 4.04 0.21 -3.56 2.96 -1.26 -3.78 118.68 121.95 2kl2 s LEU 42 Ca 0.46 -1.78 -0.07 0.00 -0.22 0.00 0.00 54.13 52.52 2kl2 s LEU 42 Cb 0.00 -2.51 -0.06 0.00 0.50 0.00 0.00 46.19 44.11 2kl2 s LEU 42 CO -0.08 -1.32 0.49 -0.69 -1.32 0.00 0.00 176.35 173.44 2kl2 s VAL 43 N 4.11 5.02 -0.23 1.68 1.01 -1.25 -1.20 120.40 129.54 2kl2 s VAL 43 Ca 0.43 0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.68 2kl2 s VAL 43 Cb -0.01 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.77 2kl2 s VAL 43 CO -0.08 -0.08 -0.14 -0.63 0.00 0.00 0.00 175.10 174.18 2kl2 s ILE 44 N -1.81 2.21 0.07 2.22 1.01 -1.26 -0.99 121.20 122.64 2kl2 s ILE 44 Ca 0.45 -1.34 0.01 0.00 0.00 0.00 0.00 60.65 59.77 2kl2 s ILE 44 Cb -0.11 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 2kl2 s ILE 44 CO 0.24 0.19 -0.05 0.00 0.00 0.00 0.00 174.94 175.31 2kl2 s ALA 45 N 1.19 0.70 0.02 9.38 0.00 -1.08 -4.94 121.76 127.02 2kl2 s ALA 45 Ca -0.03 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.75 2kl2 s ALA 45 Cb -0.17 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.13 2kl2 s ALA 45 CO -0.08 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.84 2kl2 n GLY 46 N 0.31 -2.02 0.24 0.00 0.00 -1.26 -3.28 105.19 99.18 2kl2 n GLY 46 Ca -0.15 -1.48 0.08 0.00 0.00 0.00 0.00 46.02 44.47 2kl2 n GLY 46 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kl2 h GLU 47 N -0.05 0.00 -0.15 1.61 4.57 -1.99 -3.09 114.58 115.48 2kl2 h GLU 47 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2kl2 h GLU 47 Cb 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2kl2 h GLU 47 CO 0.00 0.12 0.00 0.72 -1.18 0.00 0.00 179.01 178.67 2kl2 n HIS 48 N -4.17 0.18 -2.64 0.92 -0.00 -1.26 -4.93 115.22 103.31 2kl2 n HIS 48 Ca -0.02 -0.09 -0.10 0.00 -0.00 0.00 0.00 57.72 57.51 2kl2 n HIS 48 Cb 0.20 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.24 2kl2 n HIS 48 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 2kl2 n ASN 49 N 0.97 -4.77 -4.25 0.41 4.13 -1.17 -2.08 115.26 108.50 2kl2 n ASN 49 Ca 0.17 -0.45 -0.43 0.00 1.68 0.00 0.00 54.58 55.55 2kl2 n ASN 49 Cb 0.50 -3.51 -0.05 0.00 -1.54 0.00 0.00 39.78 35.19 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 -3.25 4.92 0.30 2.41 1.01 -1.21 -4.18 121.20 121.21 2kl2 s ILE 50 Ca 0.27 -2.55 -0.30 0.00 0.00 0.00 0.00 60.65 58.08 2kl2 s ILE 50 Cb -0.04 -4.10 -0.12 0.00 0.01 0.00 0.00 42.46 38.21 2kl2 s ILE 50 CO 0.47 -0.96 1.43 -0.81 0.00 0.00 0.00 174.94 175.07 2kl2 n PRO 51 N 3.92 2.30 -3.96 2.79 -0.04 -1.26 -2.64 135.00 136.11 2kl2 n PRO 51 Ca 0.09 0.81 -0.31 0.00 -0.04 0.00 0.00 63.50 64.06 2kl2 n PRO 51 Cb 0.43 -2.49 -0.15 0.00 -0.04 0.00 0.00 33.50 31.25 2kl2 n PRO 51 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2kl2 s TRP 52 N -0.44 2.85 -1.22 0.54 0.52 -0.16 -4.98 118.94 116.06 2kl2 s TRP 52 Ca 0.62 -2.21 -0.20 0.00 0.02 0.00 0.00 56.10 54.33 2kl2 s TRP 52 Cb -0.57 -2.04 0.02 0.00 -1.15 0.00 0.00 33.47 29.73 2kl2 s TRP 52 CO 0.54 -0.86 1.77 -1.17 0.02 0.00 0.00 176.95 177.26 2kl2 s LEU 53 N 1.23 3.56 -0.02 2.99 2.96 -1.26 -3.79 118.68 124.35 2kl2 s LEU 53 Ca 0.00 -2.06 -0.37 0.00 -0.22 0.00 0.00 54.13 51.49 2kl2 s LEU 53 Cb -0.19 -2.58 -0.15 0.00 0.50 0.00 0.00 46.19 43.77 2kl2 s LEU 53 CO -0.09 -1.80 1.58 0.18 -1.32 0.00 0.00 176.35 174.90 2kl2 n LEU 54 N 10.33 2.43 -4.57 -0.68 4.32 -1.25 -1.82 117.00 125.76 2kl2 n LEU 54 Ca 0.46 1.08 -0.33 0.00 -0.02 0.00 0.00 56.01 57.19 2kl2 n LEU 54 Cb 0.47 -1.26 -0.04 0.00 -1.62 0.00 0.00 43.42 40.97 2kl2 n LEU 54 CO 0.73 -0.57 1.55 -0.47 -1.22 0.00 0.00 177.39 177.40 2kl2 s TYR 55 N 1.91 2.20 -0.46 -1.77 5.04 -0.79 -4.24 117.35 119.24 2kl2 s TYR 55 Ca 0.88 -0.19 0.04 0.00 -2.44 0.00 0.00 57.07 55.37 2kl2 s TYR 55 Cb -0.88 -4.31 0.17 0.00 0.35 0.00 0.00 41.96 37.28 2kl2 s TYR 55 CO 0.50 -1.63 0.36 -1.17 -1.34 0.00 0.00 175.55 172.27 2kl2 s LEU 56 N 8.12 1.96 -0.01 6.97 1.98 -1.26 -5.02 118.68 131.42 2kl2 s LEU 56 Ca 0.61 -3.19 -0.30 0.00 -2.89 0.00 0.00 54.13 48.37 2kl2 s LEU 56 Cb -0.01 -0.63 -0.07 0.00 0.66 0.00 0.00 46.19 46.13 2kl2 s LEU 56 CO 0.03 -0.16 1.81 -2.16 -1.89 0.00 0.00 176.35 173.99 2kl2 s PRO 57 N -0.18 4.16 0.00 0.98 0.04 -1.26 -2.28 135.00 136.46 2kl2 s PRO 57 Ca 0.31 2.40 0.00 0.00 0.04 0.00 0.00 61.00 63.76 2kl2 s PRO 57 Cb 0.02 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.48 2kl2 s PRO 57 CO -0.19 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 176.35 2kl2 n GLY 58 N 4.34 0.74 3.27 0.56 0.00 0.10 -4.89 105.19 109.32 2kl2 n GLY 58 Ca 0.19 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 2kl2 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kl2 s LYS 59 N -0.72 1.83 3.94 1.61 3.01 -0.97 -4.79 119.74 123.64 2kl2 s LYS 59 Ca 0.00 -0.87 0.00 0.00 -1.01 0.00 0.00 55.97 54.09 2kl2 s LYS 59 Cb 0.00 -1.81 0.00 0.00 -1.01 0.00 0.00 37.83 35.01 2kl2 s LYS 59 CO 0.00 0.49 0.00 0.41 0.51 0.00 0.00 175.35 176.76 2kl2 n GLY 60 N 2.38 0.49 3.25 -3.33 0.00 -1.26 -1.78 105.19 104.94 2kl2 n GLY 60 Ca -0.16 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 1.02 -0.46 1.61 3.76 -0.44 -4.55 115.29 116.22 2kl2 s HIS 61 Ca 0.00 -1.27 -0.12 0.00 -0.15 0.00 0.00 55.06 53.52 2kl2 s HIS 61 Cb 0.00 -0.44 0.09 0.00 1.11 0.00 0.00 32.58 33.34 2kl2 s HIS 61 CO 0.00 -0.68 0.35 0.00 -0.85 0.00 0.00 174.74 173.56 2kl2 s VAL 63 N 1.52 3.75 0.36 0.00 1.01 -1.24 -4.75 120.40 121.05 2kl2 s VAL 63 Ca 0.04 0.87 -0.23 0.00 0.00 0.00 0.00 61.98 62.65 2kl2 s VAL 63 Cb -0.25 -3.71 -0.10 0.00 0.00 0.00 0.00 36.38 32.32 2kl2 s VAL 63 CO 0.04 -0.25 0.93 0.42 0.00 0.00 0.00 175.10 176.24 2kl2 s THR 64 N 4.80 4.31 0.00 3.92 -4.23 -1.22 -1.24 115.64 121.98 2kl2 s THR 64 Ca 0.69 1.64 0.00 0.00 -1.18 0.00 0.00 61.69 62.84 2kl2 s THR 64 Cb -0.26 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 69.76 2kl2 s THR 64 CO 0.28 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 2kl2 n GLY 65 N 0.04 1.24 3.41 3.99 0.00 0.09 -4.83 105.19 109.13 2kl2 n GLY 65 Ca 0.04 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 2kl2 n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kl2 s GLU 66 N -1.47 1.58 -0.08 1.61 2.02 -1.26 -1.40 118.70 119.70 2kl2 s GLU 66 Ca 0.00 -1.86 0.04 0.00 0.02 0.00 0.00 54.97 53.16 2kl2 s GLU 66 Cb 0.00 -0.72 0.00 0.00 0.10 0.00 0.00 34.13 33.51 2kl2 s GLU 66 CO 0.00 -0.20 -0.20 0.42 0.02 0.00 0.00 175.26 175.30 2kl2 s ILE 67 N -3.40 1.75 -0.15 -1.63 1.01 -0.62 -2.39 121.20 115.78 2kl2 s ILE 67 Ca 0.36 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 60.18 2kl2 s ILE 67 Cb 0.08 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 41.04 2kl2 s ILE 67 CO 0.15 0.49 -0.17 -0.31 0.00 0.00 0.00 174.94 175.10 2kl2 s TYR 68 N 0.39 2.37 0.26 3.97 2.02 -1.19 -0.61 117.35 124.56 2kl2 s TYR 68 Ca -0.16 -1.29 -0.30 0.00 -0.37 0.00 0.00 57.07 54.95 2kl2 s TYR 68 Cb -0.17 -1.68 -0.10 0.00 -0.40 0.00 0.00 41.96 39.61 2kl2 s TYR 68 CO 0.07 -0.66 1.46 -2.00 -1.57 0.00 0.00 175.55 172.85 2kl2 s GLU 69 N 1.22 4.24 -0.01 -0.62 2.12 0.21 -1.99 118.70 123.87 2kl2 s GLU 69 Ca 0.01 2.35 0.02 0.00 0.36 0.00 0.00 54.97 57.70 2kl2 s GLU 69 Cb -0.14 -3.09 -0.00 0.00 0.26 0.00 0.00 34.13 31.16 2kl2 s GLU 69 CO -0.08 -0.45 -0.05 0.14 -0.54 0.00 0.00 175.26 174.28 2kl2 s VAL 70 N -0.09 0.44 0.70 3.70 -7.23 -0.46 -0.91 120.40 116.54 2kl2 s VAL 70 Ca 0.59 -0.22 -0.00 0.00 -1.81 0.00 0.00 61.98 60.54 2kl2 s VAL 70 Cb -0.43 -0.38 0.14 0.00 0.56 0.00 0.00 36.38 36.27 2kl2 s VAL 70 CO 0.45 0.13 0.96 0.47 -0.31 0.00 0.00 175.10 176.80 2kl2 n ASP 71 N 3.05 1.30 -0.04 4.85 8.00 -1.21 -0.94 116.55 131.56 2kl2 n ASP 71 Ca -0.14 -2.09 -0.00 0.00 0.71 0.00 0.00 54.79 53.27 2kl2 n ASP 71 Cb 0.57 -0.62 0.29 0.00 -0.02 0.00 0.00 41.12 41.35 2kl2 n ASP 71 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2kl2 h GLU 72 N 0.00 0.61 -0.52 -1.24 5.08 -1.94 -0.58 114.58 116.00 2kl2 h GLU 72 Ca -0.32 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 57.88 2kl2 h GLU 72 Cb 1.17 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2kl2 h GLU 72 CO 0.34 0.57 0.10 0.37 -1.00 0.00 0.00 179.01 179.39 2kl2 h GLN 73 N 0.60 0.85 0.19 2.33 5.75 -1.94 -0.53 115.11 122.35 2kl2 h GLN 73 Ca 0.14 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 2kl2 h GLN 73 Cb 0.24 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.69 2kl2 h GLN 73 CO -0.00 0.82 -0.09 1.98 -2.65 0.00 0.00 178.83 178.89 2kl2 h MET 74 N 0.73 -0.24 -0.64 1.69 4.05 -1.43 -0.48 114.93 118.62 2kl2 h MET 74 Ca 0.16 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.64 2kl2 h MET 74 Cb 0.37 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.18 2kl2 h MET 74 CO 0.01 0.01 0.37 1.25 0.23 0.00 0.00 176.91 178.77 2kl2 h LEU 75 N -0.48 0.57 -1.18 3.39 5.85 -0.99 -0.20 115.31 122.28 2kl2 h LEU 75 Ca -0.03 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 2kl2 h LEU 75 Cb 0.36 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2kl2 h LEU 75 CO 0.04 0.39 -0.06 0.03 -0.34 0.00 0.00 178.44 178.50 2kl2 h ARG 76 N 0.70 0.50 -0.14 1.25 3.08 -1.03 -1.18 114.38 117.57 2kl2 h ARG 76 Ca 0.27 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 2kl2 h ARG 76 Cb 0.11 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 2kl2 h ARG 76 CO -0.14 0.57 -0.03 0.35 -1.07 0.00 0.00 179.97 179.65 2kl2 h PHE 77 N 0.47 0.29 -0.50 3.04 3.57 0.11 -2.91 116.94 121.02 2kl2 h PHE 77 Ca 0.10 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2kl2 h PHE 77 Cb 0.40 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 2kl2 h PHE 77 CO 0.01 0.55 0.33 -0.07 -2.23 0.00 0.00 178.31 176.90 2kl2 h LEU 78 N -0.04 0.57 0.00 0.59 3.38 -0.93 -1.00 115.31 117.88 2kl2 h LEU 78 Ca 0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2kl2 h LEU 78 Cb 0.45 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2kl2 h LEU 78 CO 0.01 0.42 0.00 -0.67 0.09 0.00 0.00 178.44 178.29 2kl2 n ASP 79 N -4.46 0.00 -0.01 -0.43 2.03 -0.46 -1.68 116.55 111.54 2kl2 n ASP 79 Ca 0.04 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.58 2kl2 n ASP 79 Cb 0.05 -0.33 -0.03 0.00 -0.72 0.00 0.00 41.12 40.09 2kl2 n ASP 79 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kl2 n ASP 80 N -1.33 3.99 -0.13 1.67 2.03 -0.67 -4.25 116.55 117.86 2kl2 n ASP 80 Ca 0.04 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.23 2kl2 n ASP 80 Cb 0.08 0.93 -0.02 0.00 -0.72 0.00 0.00 41.12 41.39 2kl2 n ASP 80 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2kl2 h PHE 81 N 0.00 1.03 -0.48 -0.67 3.04 -0.30 -3.26 116.94 116.31 2kl2 h PHE 81 Ca -0.05 -0.27 0.00 0.00 3.98 0.00 0.00 57.97 61.63 2kl2 h PHE 81 Cb 0.67 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.95 2kl2 h PHE 81 CO 0.00 1.06 0.00 0.39 -2.02 0.00 0.00 178.31 177.74 2kl2 n GLU 82 N -4.17 3.30 -2.03 1.11 -0.58 -1.16 -4.96 120.64 112.15 2kl2 n GLU 82 Ca -0.01 -2.65 -0.19 0.00 -0.42 0.00 0.00 57.16 53.89 2kl2 n GLU 82 Cb 0.46 -1.71 -0.04 0.00 -0.57 0.00 0.00 31.44 29.58 2kl2 n GLU 82 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2kl2 n ASP 83 N 0.59 -5.28 -4.76 1.62 8.00 -1.23 -4.36 116.55 111.13 2kl2 n ASP 83 Ca 0.21 0.22 -0.31 0.00 0.71 0.00 0.00 54.79 55.63 2kl2 n ASP 83 Cb 0.76 -4.54 0.10 0.00 -0.02 0.00 0.00 41.12 37.42 2kl2 n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kl2 n PRO 85 N -3.59 0.34 0.28 0.00 -0.04 -1.26 -4.74 135.00 126.00 2kl2 n PRO 85 Ca 0.08 0.09 -0.17 0.00 -0.04 0.00 0.00 63.50 63.46 2kl2 n PRO 85 Cb 0.54 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.41 2kl2 n PRO 85 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2kl2 h SER 86 N 0.00 -1.30 0.00 3.54 0.02 -1.79 -3.37 113.55 110.65 2kl2 h SER 86 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2kl2 h SER 86 Cb 0.10 0.42 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2kl2 h SER 86 CO 0.00 -0.63 -0.05 0.24 -1.14 0.00 0.00 176.83 175.25 2kl2 h MET 87 N -0.96 0.00 -6.34 3.45 2.86 -1.43 -3.49 114.93 109.03 2kl2 h MET 87 Ca -0.06 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.13 2kl2 h MET 87 Cb 0.83 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.49 2kl2 h MET 87 CO -0.05 0.00 -0.30 0.71 1.06 0.00 0.00 176.91 178.33 2kl2 s TYR 88 N -1.38 2.77 0.01 -0.22 1.51 -1.26 -4.78 117.35 114.01 2kl2 s TYR 88 Ca -0.02 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.63 2kl2 s TYR 88 Cb 0.00 -2.30 -0.01 0.00 -0.11 0.00 0.00 41.96 39.54 2kl2 s TYR 88 CO 0.02 -0.31 -0.07 -0.65 -1.11 0.00 0.00 175.55 173.43 2kl2 s GLN 89 N -4.27 0.52 0.02 -0.62 1.11 0.42 -4.02 119.66 112.82 2kl2 s GLN 89 Ca 0.52 -0.40 -0.30 0.00 0.01 0.00 0.00 55.36 55.19 2kl2 s GLN 89 Cb -0.07 -0.44 -0.04 0.00 -1.01 0.00 0.00 33.01 31.45 2kl2 s GLN 89 CO 0.31 0.11 1.05 0.50 0.01 0.00 0.00 175.29 177.27 2kl2 s ARG 90 N -0.63 4.52 0.34 2.91 3.00 -1.26 -0.47 118.95 127.36 2kl2 s ARG 90 Ca -0.01 1.53 0.03 0.00 -1.00 0.00 0.00 55.73 56.28 2kl2 s ARG 90 Cb -0.05 -3.42 -0.04 0.00 0.00 0.00 0.00 34.95 31.44 2kl2 s ARG 90 CO 0.00 -0.11 0.12 0.99 0.00 0.00 0.00 175.30 176.30 2kl2 s THR 91 N 1.02 0.62 0.13 4.11 2.01 0.32 -4.94 115.64 118.90 2kl2 s THR 91 Ca 0.54 -2.00 0.09 0.00 0.31 0.00 0.00 61.69 60.63 2kl2 s THR 91 Cb -0.24 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 2kl2 s THR 91 CO 0.28 0.00 -0.15 0.00 -0.69 0.00 0.00 174.62 174.06 2kl2 s ALA 92 N -3.42 2.78 0.00 7.40 0.00 -1.26 -1.47 121.76 125.79 2kl2 s ALA 92 Ca 0.32 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.91 2kl2 s ALA 92 Cb 0.05 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.47 2kl2 s ALA 92 CO 0.16 0.57 0.00 1.47 0.00 0.00 0.00 175.76 177.95 2kl2 n LEU 93 N 0.58 0.00 -3.78 0.00 -0.00 -1.24 -4.97 117.00 107.60 2kl2 n LEU 93 Ca -0.14 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.67 2kl2 n LEU 93 Cb 0.53 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.78 2kl2 n LEU 93 CO 0.31 0.00 -0.37 -1.58 -0.00 0.00 0.00 177.39 175.74 2kl2 s GLN 94 N 0.71 0.41 -0.09 1.47 2.00 -1.25 -4.05 119.66 118.85 2kl2 s GLN 94 Ca 0.00 0.12 -0.03 0.00 -2.00 0.00 0.00 55.36 53.45 2kl2 s GLN 94 Cb 0.00 -0.72 0.04 0.00 0.80 0.00 0.00 33.01 33.13 2kl2 s GLN 94 CO 0.00 -0.23 0.06 0.54 -0.50 0.00 0.00 175.29 175.16 2kl2 s VAL 95 N 1.59 -0.01 -0.04 1.34 0.11 -0.43 -2.98 120.40 119.98 2kl2 s VAL 95 Ca -0.01 0.15 -0.35 0.00 -2.93 0.00 0.00 61.98 58.84 2kl2 s VAL 95 Cb -0.13 -0.38 -0.13 0.00 -1.53 0.00 0.00 36.38 34.22 2kl2 s VAL 95 CO -0.03 0.02 1.80 1.67 -3.33 0.00 0.00 175.10 175.22 2kl2 n GLN 96 N 5.26 2.09 -2.39 1.54 7.27 0.40 0.32 117.38 131.87 2kl2 n GLN 96 Ca -0.05 0.76 -0.36 0.00 0.07 0.00 0.00 57.00 57.42 2kl2 n GLN 96 Cb 0.50 -2.58 -0.03 0.00 2.41 0.00 0.00 30.24 30.53 2kl2 n GLN 96 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2kl2 s VAL 97 N 3.29 3.78 -0.56 1.69 1.01 0.11 -2.13 120.40 127.60 2kl2 s VAL 97 Ca 0.90 -0.76 0.26 0.00 0.00 0.00 0.00 61.98 62.37 2kl2 s VAL 97 Cb -0.72 -4.75 0.29 0.00 0.00 0.00 0.00 36.38 31.20 2kl2 s VAL 97 CO 0.49 -1.62 1.76 -0.07 0.00 0.00 0.00 175.10 175.66 2kl2 h LEU 98 N 14.47 0.00 -7.13 3.92 4.07 -1.02 -3.45 115.31 126.17 2kl2 h LEU 98 Ca 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.15 2kl2 h LEU 98 Cb 0.99 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.62 2kl2 h LEU 98 CO 1.36 0.00 0.23 -0.70 -1.08 0.00 0.00 178.44 178.24 2kl2 s GLU 99 N -3.23 1.33 -0.27 1.13 2.56 -1.04 -4.83 118.70 114.35 2kl2 s GLU 99 Ca 0.07 -0.53 -0.03 0.00 0.00 0.00 0.00 54.97 54.49 2kl2 s GLU 99 Cb 0.10 0.58 0.11 0.00 2.00 0.00 0.00 34.13 36.93 2kl2 s GLU 99 CO 0.53 -0.59 0.20 -0.46 -0.56 0.00 0.00 175.26 174.39 2kl2 s TRP 100 N -3.74 -0.08 -1.17 5.30 -0.11 -1.26 -1.95 118.94 115.93 2kl2 s TRP 100 Ca 0.02 -0.41 -0.10 0.00 1.22 0.00 0.00 56.10 56.84 2kl2 s TRP 100 Cb -0.02 -0.64 0.23 0.00 -1.50 0.00 0.00 33.47 31.55 2kl2 s TRP 100 CO -0.10 -0.81 1.36 0.39 -4.62 0.00 0.00 176.95 173.17 2kl2 n GLU 101 N 5.29 3.60 0.00 5.86 -0.58 -1.26 -4.86 120.64 128.68 2kl2 n GLU 101 Ca -0.05 -4.15 0.00 0.00 -0.42 0.00 0.00 57.16 52.55 2kl2 n GLU 101 Cb 0.45 -2.77 0.00 0.00 -0.57 0.00 0.00 31.44 28.55 2kl2 n GLU 101 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kl2 n GLY 102 N 3.05 -0.67 3.69 0.62 0.00 -1.26 -4.63 105.19 105.99 2kl2 n GLY 102 Ca 0.31 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 2.89 0.00 1.61 -1.08 -1.26 -4.71 116.67 114.12 2kl2 s ASP 103 Ca 0.00 1.24 0.00 0.00 -0.52 0.00 0.00 52.55 53.27 2kl2 s ASP 103 Cb 0.00 -1.91 0.00 0.00 -1.46 0.00 0.00 42.92 39.55 2kl2 s ASP 103 CO 0.00 -2.97 0.00 0.61 0.52 0.00 0.00 175.17 173.33 2kl2 n GLY 104 N -1.18 0.28 3.31 2.66 0.00 -1.26 -5.01 105.19 103.99 2kl2 n GLY 104 Ca 0.06 -0.28 -0.46 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.40 6.60 0.00 1.61 2.15 -1.26 -4.94 116.67 118.43 2kl2 s ASP 105 Ca 0.00 -2.71 0.07 0.00 0.43 0.00 0.00 52.55 50.34 2kl2 s ASP 105 Cb 0.00 -2.17 0.42 0.00 -0.30 0.00 0.00 42.92 40.86 2kl2 s ASP 105 CO 0.00 -0.55 0.85 -0.81 -0.17 0.00 0.00 175.17 174.48 2kl2 n PRO 106 N 3.92 0.44 0.00 4.34 -0.04 -1.26 -4.98 135.00 137.42 2kl2 n PRO 106 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2kl2 n PRO 106 Cb 0.46 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 2kl2 n PRO 106 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kl2 n GLY 107 N -0.09 -2.87 0.13 0.55 0.00 -1.26 -4.71 105.19 96.94 2kl2 n GLY 107 Ca 0.05 -2.06 0.11 0.00 0.00 0.00 0.00 46.02 44.12 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 0.00 0.58 -4.22 1.61 2.03 -1.26 -4.69 116.55 110.60 2kl2 n ASP 108 Ca 0.00 0.69 -0.13 0.00 0.52 0.00 0.00 54.79 55.88 2kl2 n ASP 108 Cb 0.00 -0.80 -0.10 0.00 -0.72 0.00 0.00 41.12 39.50 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 -4.07 0.40 0.02 1.67 1.04 -1.26 0.05 113.70 111.55 2kl2 s SER 109 Ca 0.01 -1.36 0.03 0.00 0.48 0.00 0.00 55.95 55.12 2kl2 s SER 109 Cb 0.08 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.50 2kl2 s SER 109 CO 0.29 -0.80 -0.09 0.54 0.98 0.00 0.00 173.24 174.17 2kl2 s VAL 110 N -4.05 0.69 -1.06 5.02 0.11 0.15 -4.74 120.40 116.52 2kl2 s VAL 110 Ca 0.36 -0.74 -0.15 0.00 -2.93 0.00 0.00 61.98 58.53 2kl2 s VAL 110 Cb 0.07 -0.65 0.18 0.00 -1.53 0.00 0.00 36.38 34.45 2kl2 s VAL 110 CO 0.11 -0.06 1.21 -1.58 -3.33 0.00 0.00 175.10 171.45 2kl2 s GLN 111 N -0.88 3.88 0.00 1.54 -0.44 -1.26 -1.31 119.66 121.19 2kl2 s GLN 111 Ca -0.02 -2.36 0.00 0.00 -2.50 0.00 0.00 55.36 50.48 2kl2 s GLN 111 Cb -0.06 -4.88 0.00 0.00 -1.64 0.00 0.00 33.01 26.43 2kl2 s GLN 111 CO 0.00 -1.65 0.00 0.00 0.50 0.00 0.00 175.29 174.14 2kl2 s PHE 113 N 0.17 2.92 -0.20 0.00 0.08 -0.59 -3.65 117.98 116.70 2kl2 s PHE 113 Ca 0.00 -0.08 -0.07 0.00 0.12 0.00 0.00 56.93 56.90 2kl2 s PHE 113 Cb 0.00 -1.47 0.09 0.00 -0.57 0.00 0.00 43.02 41.07 2kl2 s PHE 113 CO 0.00 0.49 0.41 0.14 -0.10 0.00 0.00 175.22 176.16 2kl2 s VAL 114 N -1.45 -0.65 0.12 -0.44 -7.23 -0.54 -3.07 120.40 107.15 2kl2 s VAL 114 Ca 0.26 0.16 -0.31 0.00 -1.81 0.00 0.00 61.98 60.27 2kl2 s VAL 114 Cb -0.11 -0.67 -0.08 0.00 0.56 0.00 0.00 36.38 36.07 2kl2 s VAL 114 CO 0.18 0.06 1.46 -0.31 -0.31 0.00 0.00 175.10 176.18 2kl2 s TYR 115 N 2.61 3.12 0.00 2.82 2.02 -1.26 -0.52 117.35 126.14 2kl2 s TYR 115 Ca -0.01 0.81 0.00 0.00 -0.37 0.00 0.00 57.07 57.50 2kl2 s TYR 115 Cb -0.12 -3.78 -0.00 0.00 -0.40 0.00 0.00 41.96 37.66 2kl2 s TYR 115 CO -0.13 -2.80 0.00 0.25 -1.57 0.00 0.00 175.55 171.30 2kl2 n THR 116 N 4.03 0.00 -3.87 -0.71 -2.24 0.38 -4.68 114.28 107.20 2kl2 n THR 116 Ca 0.13 -0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.78 2kl2 n THR 116 Cb 0.41 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.54 2kl2 n THR 116 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2kl2 s THR 117 N -1.39 0.06 -0.58 4.28 -1.32 -0.76 -0.44 115.64 115.51 2kl2 s THR 117 Ca 0.00 -0.53 0.12 0.00 -1.21 0.00 0.00 61.69 60.07 2kl2 s THR 117 Cb 0.00 -0.36 -0.14 0.00 -1.51 0.00 0.00 72.50 70.49 2kl2 s THR 117 CO 0.00 -0.29 0.52 0.00 -2.21 0.00 0.00 174.62 172.64 2kl2 n ALA 118 N 1.86 3.60 -0.97 11.08 0.00 -1.26 -1.88 120.51 132.94 2kl2 n ALA 118 Ca -0.20 -0.35 -0.10 0.00 0.00 0.00 0.00 53.44 52.79 2kl2 n ALA 118 Cb 0.56 -0.45 0.27 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.30 2.88 -1.77 0.00 5.66 -1.26 -4.99 114.28 113.50 2kl2 n THR 119 Ca 0.02 -1.59 -0.38 0.00 -3.05 0.00 0.00 64.05 59.04 2kl2 n THR 119 Cb 0.19 -0.41 0.04 0.00 -1.55 0.00 0.00 70.33 68.61 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 -2.92 2.26 0.71 1.09 -0.85 -1.26 -5.01 117.35 111.36 2kl2 s TYR 120 Ca 0.53 1.37 -0.14 0.00 -0.52 0.00 0.00 57.07 58.30 2kl2 s TYR 120 Cb 0.43 -3.81 0.03 0.00 0.38 0.00 0.00 41.96 38.98 2kl2 s TYR 120 CO 0.12 -2.95 1.14 0.00 -1.52 0.00 0.00 175.55 172.35 2kl2 s ALA 121 N -1.30 2.28 0.27 9.51 0.00 -1.26 -4.97 121.76 126.29 2kl2 s ALA 121 Ca 0.72 0.65 0.04 0.00 0.00 0.00 0.00 51.96 53.37 2kl2 s ALA 121 Cb -0.41 -3.38 0.37 0.00 0.00 0.00 0.00 23.12 19.71 2kl2 s ALA 121 CO 0.48 -1.60 1.66 -1.00 0.00 0.00 0.00 175.76 175.30 2kl2 h PRO 122 N -0.26 0.35 -0.08 0.00 0.13 -2.02 -2.15 132.00 127.97 2kl2 h PRO 122 Ca -0.47 -0.17 0.02 0.00 -0.87 0.00 0.00 66.00 64.52 2kl2 h PRO 122 Cb 1.26 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kl2 h PRO 122 CO 0.52 0.71 0.09 1.05 -0.23 0.00 0.00 178.00 180.13 2kl2 h GLU 123 N 0.29 0.00 -0.00 0.86 9.09 -2.02 -2.57 114.58 120.23 2kl2 h GLU 123 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.44 2kl2 h GLU 123 Cb 0.85 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.95 2kl2 h GLU 123 CO 0.07 0.00 -0.01 0.91 0.05 0.00 0.00 179.01 180.03 2kl2 n TRP 124 N -3.82 0.00 0.06 2.06 7.02 -0.81 -2.28 117.44 119.67 2kl2 n TRP 124 Ca -0.01 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.40 2kl2 n TRP 124 Cb 0.19 -0.24 0.08 0.00 -2.42 0.00 0.00 31.31 28.92 2kl2 n TRP 124 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2kl2 h LEU 125 N 0.05 0.40 0.00 -0.99 -0.00 -1.58 -3.26 115.31 109.93 2kl2 h LEU 125 Ca 0.00 -0.24 -0.04 0.00 -0.00 0.00 0.00 57.88 57.60 2kl2 h LEU 125 Cb 0.26 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 2kl2 h LEU 125 CO 0.00 0.93 -0.37 -0.26 -0.00 0.00 0.00 178.44 178.74 2kl2 h PHE 126 N 0.25 0.00 -3.66 1.13 -1.00 -1.63 -3.47 116.94 108.56 2kl2 h PHE 126 Ca -0.01 0.00 -0.57 0.00 2.81 0.00 0.00 57.97 60.20 2kl2 h PHE 126 Cb 1.17 0.00 0.16 0.00 3.61 0.00 0.00 35.95 40.89 2kl2 h PHE 126 CO 0.03 0.19 0.20 1.28 -1.61 0.00 0.00 178.31 178.40 2kl2 n LEU 127 N -3.07 4.09 -4.76 1.54 4.77 -1.15 -4.97 117.00 113.45 2kl2 n LEU 127 Ca 0.02 0.82 -0.32 0.00 -0.03 0.00 0.00 56.01 56.49 2kl2 n LEU 127 Cb 0.61 -1.42 0.07 0.00 -2.33 0.00 0.00 43.42 40.36 2kl2 n LEU 127 CO 0.37 -1.68 0.73 -2.16 -1.33 0.00 0.00 177.39 173.32 2kl2 s PRO 128 N -2.84 2.46 0.30 3.23 0.04 -1.26 -4.94 135.00 131.98 2kl2 s PRO 128 Ca 0.76 1.37 0.06 0.00 0.04 0.00 0.00 61.00 63.24 2kl2 s PRO 128 Cb -0.41 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 2kl2 s PRO 128 CO 0.46 -1.51 0.35 0.71 0.04 0.00 0.00 177.00 177.05 2kl2 s TYR 129 N -2.50 3.15 0.38 0.56 2.02 -1.26 -4.01 117.35 115.70 2kl2 s TYR 129 Ca 0.66 -0.17 0.04 0.00 -0.37 0.00 0.00 57.07 57.23 2kl2 s TYR 129 Cb -0.20 -1.73 -0.03 0.00 -0.40 0.00 0.00 41.96 39.60 2kl2 s TYR 129 CO 0.47 0.25 0.16 -1.01 -1.57 0.00 0.00 175.55 173.85 2kl2 s HIS 130 N -2.15 1.76 0.00 2.71 3.76 -0.34 -4.89 115.29 116.14 2kl2 s HIS 130 Ca 0.39 -1.37 0.00 0.00 -0.15 0.00 0.00 55.06 53.93 2kl2 s HIS 130 Cb -0.08 -1.04 0.00 0.00 1.11 0.00 0.00 32.58 32.57 2kl2 s HIS 130 CO 0.28 -0.43 0.00 -1.91 -0.85 0.00 0.00 174.74 171.83 2kl2 n GLU 131 N -0.82 3.39 -3.94 1.40 2.13 -1.26 -4.28 120.64 117.25 2kl2 n GLU 131 Ca -0.03 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.70 2kl2 n GLU 131 Cb 0.64 -0.53 -0.02 0.00 0.27 0.00 0.00 31.44 31.80 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 -0.87 0.10 -0.05 4.31 1.04 -1.26 -3.45 113.70 113.51 2kl2 s SER 132 Ca 0.00 -1.03 0.06 0.00 0.48 0.00 0.00 55.95 55.46 2kl2 s SER 132 Cb 0.00 0.70 -0.01 0.00 0.10 0.00 0.00 66.02 66.81 2kl2 s SER 132 CO 0.00 -1.36 -0.24 -0.47 0.98 0.00 0.00 173.24 172.15 2kl2 s TYR 133 N -3.37 2.32 -0.29 5.02 5.04 -1.26 -5.08 117.35 119.74 2kl2 s TYR 133 Ca 0.20 -0.64 -0.15 0.00 -2.44 0.00 0.00 57.07 54.03 2kl2 s TYR 133 Cb -0.03 -1.52 0.11 0.00 0.35 0.00 0.00 41.96 40.87 2kl2 s TYR 133 CO 0.11 -0.18 0.78 0.34 -1.34 0.00 0.00 175.55 175.27 2kl2 s ASP 134 N -0.22 -0.82 0.00 4.32 -1.08 -1.26 -4.77 116.67 112.83 2kl2 s ASP 134 Ca -0.01 1.28 0.25 0.00 -0.52 0.00 0.00 52.55 53.56 2kl2 s ASP 134 Cb -0.13 1.44 1.49 0.00 -1.46 0.00 0.00 42.92 44.26 2kl2 s ASP 134 CO 0.03 -0.20 1.86 -1.20 0.52 0.00 0.00 175.17 176.18 2kl2 n SER 135 N 4.28 0.00 -0.37 -0.34 7.64 -1.26 -2.54 113.62 121.02 2kl2 n SER 135 Ca -0.18 -0.75 0.07 0.00 1.01 0.00 0.00 58.87 59.01 2kl2 n SER 135 Cb 0.57 -0.02 0.11 0.00 -1.01 0.00 0.00 64.21 63.87 2kl2 n SER 135 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kl2 n GLU 136 N -1.02 0.96 -1.86 1.43 1.02 -1.26 -4.86 120.64 115.06 2kl2 n GLU 136 Ca 0.19 -2.32 -0.30 0.00 -0.02 0.00 0.00 57.16 54.70 2kl2 n GLU 136 Cb 0.09 -1.19 0.05 0.00 -0.02 0.00 0.00 31.44 30.38 2kl2 n GLU 136 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2kl2 s GLY 137 N -2.46 1.63 0.54 0.62 0.00 -1.05 -4.95 107.32 101.64 2kl2 s GLY 137 Ca 0.26 -0.34 0.36 0.00 0.00 0.00 0.00 44.72 45.00 2kl2 s GLY 137 CO -0.01 0.04 2.12 -0.56 0.00 0.00 0.00 173.10 174.68 2kl2 h PRO 138 N -0.70 0.00 0.00 2.90 0.13 -1.98 -3.20 132.00 129.14 2kl2 h PRO 138 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2kl2 h PRO 138 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kl2 h PRO 138 CO 0.64 0.00 0.07 0.45 -0.23 0.00 0.00 178.00 178.92 2kl2 h HIS 139 N 0.00 0.00 0.00 1.56 3.86 -1.92 -3.46 115.15 115.19 2kl2 h HIS 139 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2kl2 h HIS 139 Cb 0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.50 2kl2 h HIS 139 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 2kl2 n GLY 140 N -1.21 1.50 3.61 2.45 0.00 -1.21 -4.91 105.19 105.41 2kl2 n GLY 140 Ca -0.02 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2kl2 n GLY 140 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kl2 s LEU 141 N 0.00 3.64 0.11 0.99 0.05 -1.26 -5.02 118.68 117.19 2kl2 s LEU 141 Ca 0.00 0.90 0.09 0.00 0.05 0.00 0.00 54.13 55.17 2kl2 s LEU 141 Cb 0.00 -3.54 -0.04 0.00 -2.05 0.00 0.00 46.19 40.56 2kl2 s LEU 141 CO 0.00 -1.38 -0.21 -0.13 -0.55 0.00 0.00 176.35 174.09 2kl2 s ARG 142 N 4.81 1.70 0.28 1.48 1.81 -1.26 -4.98 118.95 122.79 2kl2 s ARG 142 Ca 0.61 -1.21 -0.30 0.00 -1.72 0.00 0.00 55.73 53.11 2kl2 s ARG 142 Cb -0.14 -2.06 -0.11 0.00 -0.45 0.00 0.00 34.95 32.19 2kl2 s ARG 142 CO 0.31 0.48 1.52 -0.47 -0.68 0.00 0.00 175.30 176.46 2kl2 s TYR 143 N -1.09 2.86 -0.53 -0.53 5.04 -1.26 -4.63 117.35 117.21 2kl2 s TYR 143 Ca 0.16 0.91 0.05 0.00 -2.44 0.00 0.00 57.07 55.75 2kl2 s TYR 143 Cb -0.10 -3.96 0.18 0.00 0.35 0.00 0.00 41.96 38.43 2kl2 s TYR 143 CO 0.08 -3.16 0.43 0.09 -1.34 0.00 0.00 175.55 171.66 2kl2 n ASN 144 N 2.15 1.07 0.11 4.32 3.02 -0.89 -4.94 115.26 120.10 2kl2 n ASN 144 Ca 0.07 -2.76 -0.18 0.00 -0.03 0.00 0.00 54.58 51.68 2kl2 n ASN 144 Cb 0.39 -0.64 -0.14 0.00 -0.61 0.00 0.00 39.78 38.77 2kl2 n ASN 144 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2kl2 h PRO 145 N 5.33 0.33 0.00 3.52 0.13 -1.94 -3.42 132.00 135.94 2kl2 h PRO 145 Ca 0.21 -0.57 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2kl2 h PRO 145 Cb 0.84 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2kl2 h PRO 145 CO 0.53 1.26 0.00 -2.13 -0.23 0.00 0.00 178.00 177.43 2kl2 n ARG 146 N -3.57 0.00 0.00 0.86 0.63 -1.26 -5.07 116.66 108.25 2kl2 n ARG 146 Ca -0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 2kl2 n ARG 146 Cb 1.05 -0.15 0.00 0.00 0.45 0.00 0.00 32.46 33.80 2kl2 n ARG 146 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2kl2 n GLU 147 N 0.00 0.00 0.00 -0.14 1.02 -1.26 -1.12 120.64 119.14 2kl2 n GLU 147 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kl2 n GLU 147 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.52 2kl2 n GLU 147 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2kl2 n ASN 148 N 0.00 0.00 -0.57 1.62 0.23 -1.26 -5.11 115.26 110.18 2kl2 n ASN 148 Ca 0.00 -1.00 0.07 0.00 -0.53 0.00 0.00 54.58 53.12 2kl2 n ASN 148 Cb 0.00 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 37.76 2kl2 n ASN 148 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19