#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 -2.42 -0.03 -5.12 0.00 -1.22 -5.03 121.76 107.93 2kl2 s ALA 2 Ca 0.00 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 2kl2 s ALA 2 Cb 0.00 -2.61 -0.05 0.00 0.00 0.00 0.00 23.12 20.46 2kl2 s ALA 2 CO 0.00 -1.97 1.46 -1.01 0.00 0.00 0.00 175.76 174.25 2kl2 s HIS 3 N 2.50 2.61 0.48 0.00 0.09 -1.26 -3.38 115.29 116.33 2kl2 s HIS 3 Ca 0.12 0.65 0.07 0.00 -0.00 0.00 0.00 55.06 55.91 2kl2 s HIS 3 Cb -0.08 -3.73 0.01 0.00 -0.00 0.00 0.00 32.58 28.78 2kl2 s HIS 3 CO -0.20 -2.80 0.40 0.96 -0.00 0.00 0.00 174.74 173.11 2kl2 s ILE 4 N 2.94 2.17 0.35 0.60 -4.36 0.15 -3.37 121.20 119.67 2kl2 s ILE 4 Ca 0.66 -1.41 0.08 0.00 -0.26 0.00 0.00 60.65 59.72 2kl2 s ILE 4 Cb -0.31 -2.58 -0.04 0.00 1.25 0.00 0.00 42.46 40.78 2kl2 s ILE 4 CO 0.26 0.00 0.21 0.12 0.24 0.00 0.00 174.94 175.77 2kl2 s PHE 5 N -2.62 2.77 -0.06 1.37 5.36 -0.58 -2.56 117.98 121.65 2kl2 s PHE 5 Ca 0.43 -0.37 0.05 0.00 -0.96 0.00 0.00 56.93 56.08 2kl2 s PHE 5 Cb -0.02 -1.74 -0.01 0.00 -0.34 0.00 0.00 43.02 40.92 2kl2 s PHE 5 CO 0.26 0.25 -0.23 0.54 -1.46 0.00 0.00 175.22 174.58 2kl2 s VAL 6 N -2.39 1.90 0.09 3.12 0.11 -1.15 -4.85 120.40 117.23 2kl2 s VAL 6 Ca 0.39 -0.97 -0.26 0.00 -2.93 0.00 0.00 61.98 58.22 2kl2 s VAL 6 Cb -0.03 -1.63 -0.15 0.00 -1.53 0.00 0.00 36.38 33.04 2kl2 s VAL 6 CO 0.24 0.53 1.70 0.22 -3.33 0.00 0.00 175.10 174.46 2kl2 h TYR 7 N 6.27 -0.28 0.00 1.54 3.20 -1.93 -3.40 116.97 122.36 2kl2 h TYR 7 Ca -0.29 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.57 2kl2 h TYR 7 Cb 1.19 0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.56 2kl2 h TYR 7 CO 0.44 -0.17 0.00 0.41 -1.64 0.00 0.00 178.16 177.20 2kl2 n GLY 8 N -1.22 1.00 0.35 1.82 0.00 -1.26 -4.48 105.19 101.39 2kl2 n GLY 8 Ca -0.09 -0.07 0.18 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.12 2.61 1.35 -1.96 -2.84 112.91 112.24 2kl2 h THR 9 Ca 0.00 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.68 2kl2 h THR 9 Cb 0.00 0.77 -0.32 0.00 -1.73 0.00 0.00 68.15 66.87 2kl2 h THR 9 CO 0.00 0.00 -0.94 0.18 -0.25 0.00 0.00 175.52 174.51 2kl2 n LEU 10 N -3.49 1.66 0.00 3.87 4.32 -1.26 -3.38 117.00 118.72 2kl2 n LEU 10 Ca 0.02 -2.71 0.00 0.00 -0.02 0.00 0.00 56.01 53.29 2kl2 n LEU 10 Cb 0.38 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 2kl2 n LEU 10 CO 0.23 0.86 0.34 2.29 -1.22 0.00 0.00 177.39 179.89 2kl2 n LYS 11 N -0.08 1.20 0.00 3.23 -0.00 -1.07 -5.01 118.16 116.43 2kl2 n LYS 11 Ca 0.11 -0.89 0.00 0.00 -0.00 0.00 0.00 58.31 57.53 2kl2 n LYS 11 Cb 0.99 -0.75 0.00 0.00 -0.00 0.00 0.00 35.03 35.27 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 -0.21 0.00 -0.35 -1.58 5.12 -1.25 -5.03 116.66 113.36 2kl2 n ARG 12 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2kl2 n ARG 12 Cb 0.34 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.64 2kl2 n ARG 12 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kl2 n GLY 13 N 0.23 0.87 3.24 -0.13 0.00 -1.26 -5.11 105.19 103.02 2kl2 n GLY 13 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2kl2 n GLY 13 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kl2 n GLN 14 N 0.00 0.03 0.00 1.61 3.00 -1.26 -4.81 117.38 115.94 2kl2 n GLN 14 Ca 0.00 0.03 0.04 0.00 -0.01 0.00 0.00 57.00 57.06 2kl2 n GLN 14 Cb 0.43 -1.35 0.21 0.00 0.00 0.00 0.00 30.24 29.54 2kl2 n GLN 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 2kl2 n PRO 15 N 0.78 0.19 -0.00 -1.09 -0.04 -1.26 -2.61 135.00 130.97 2kl2 n PRO 15 Ca 0.05 0.08 0.04 0.00 -0.04 0.00 0.00 63.50 63.62 2kl2 n PRO 15 Cb 0.52 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.11 0.52 0.09 3.54 3.02 -1.26 -4.64 115.26 115.43 2kl2 n ASN 16 Ca 0.05 -0.65 0.15 0.00 -0.03 0.00 0.00 54.58 54.10 2kl2 n ASN 16 Cb 0.04 1.02 0.66 0.00 -0.61 0.00 0.00 39.78 40.89 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 0.00 0.02 -0.51 3.10 2.76 -1.51 -2.30 115.15 116.71 2kl2 h HIS 17 Ca 0.00 0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.32 2kl2 h HIS 17 Cb 0.20 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.13 2kl2 h HIS 17 CO 0.00 0.01 0.44 1.57 -1.30 0.00 0.00 177.93 178.65 2kl2 h LYS 18 N 0.02 0.00 0.00 5.26 -0.00 -1.86 -2.73 116.57 117.27 2kl2 h LYS 18 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.81 2kl2 h LYS 18 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.85 2kl2 h LYS 18 CO -0.00 0.00 0.00 1.33 -0.00 0.00 0.00 179.45 180.78 2kl2 n VAL 19 N -4.03 1.03 0.86 0.07 0.24 -0.87 -0.58 118.33 115.06 2kl2 n VAL 19 Ca 0.09 0.27 0.10 0.00 -2.04 0.00 0.00 64.34 62.77 2kl2 n VAL 19 Cb 0.65 -1.08 0.08 0.00 -1.47 0.00 0.00 33.84 32.01 2kl2 n VAL 19 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 2kl2 n MET 20 N -1.67 1.81 -0.14 7.34 0.00 -1.03 -4.42 117.12 119.01 2kl2 n MET 20 Ca 0.03 -1.63 0.10 0.00 0.00 0.00 0.00 57.70 56.20 2kl2 n MET 20 Cb 0.17 -1.39 0.17 0.00 0.00 0.00 0.00 33.22 32.17 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 1.01 3.16 -3.86 3.17 4.77 0.25 -4.58 117.00 120.93 2kl2 n LEU 21 Ca 0.12 -1.44 -0.30 0.00 -0.03 0.00 0.00 56.01 54.35 2kl2 n LEU 21 Cb 0.50 -0.19 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 2kl2 n LEU 21 CO 0.14 0.67 0.11 0.47 -1.33 0.00 0.00 177.39 177.45 2kl2 n ASP 22 N 1.26 3.53 0.18 -1.43 8.00 -1.21 -4.97 116.55 121.91 2kl2 n ASP 22 Ca 0.16 -3.25 0.11 0.00 0.71 0.00 0.00 54.79 52.53 2kl2 n ASP 22 Cb 0.54 -0.82 0.61 0.00 -0.02 0.00 0.00 41.12 41.44 2kl2 n ASP 22 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 2kl2 h HIS 23 N 5.28 0.00 -0.67 1.24 2.76 -1.85 0.16 115.15 122.07 2kl2 h HIS 23 Ca 0.16 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 2kl2 h HIS 23 Cb 0.74 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.67 2kl2 h HIS 23 CO 0.71 0.00 0.38 0.77 -1.30 0.00 0.00 177.93 178.49 2kl2 h SER 24 N 0.00 0.81 0.31 3.26 0.02 -1.99 -2.23 113.55 113.74 2kl2 h SER 24 Ca 0.00 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 2kl2 h SER 24 Cb 0.08 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2kl2 h SER 24 CO 0.00 0.64 -0.27 0.45 -1.14 0.00 0.00 176.83 176.52 2kl2 h HIS 25 N 0.93 0.00 0.00 3.45 3.86 -1.03 -3.49 115.15 118.87 2kl2 h HIS 25 Ca 0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 2kl2 h HIS 25 Cb -0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2kl2 h HIS 25 CO 0.00 0.27 0.00 0.41 0.86 0.00 0.00 177.93 179.47 2kl2 n GLY 26 N -0.69 0.17 3.87 2.45 0.00 -0.84 -3.50 105.19 106.66 2kl2 n GLY 26 Ca -0.02 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 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 4.37 0.03 0.99 2.96 -1.26 -4.27 118.68 121.49 2kl2 s LEU 27 Ca 0.00 0.68 0.02 0.00 -0.22 0.00 0.00 54.13 54.60 2kl2 s LEU 27 Cb 0.00 -2.79 -0.02 0.00 0.50 0.00 0.00 46.19 43.88 2kl2 s LEU 27 CO 0.00 0.22 -0.06 0.00 -1.32 0.00 0.00 176.35 175.19 2kl2 s ALA 28 N -1.33 0.46 -0.09 5.97 0.00 -1.26 -2.91 121.76 122.60 2kl2 s ALA 28 Ca 0.30 -0.59 -0.06 0.00 0.00 0.00 0.00 51.96 51.60 2kl2 s ALA 28 Cb -0.14 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.04 2kl2 s ALA 28 CO 0.17 -0.01 0.23 0.00 0.00 0.00 0.00 175.76 176.14 2kl2 s ALA 29 N -1.06 -0.53 -0.79 0.00 0.00 0.45 -4.98 121.76 114.86 2kl2 s ALA 29 Ca -0.08 0.81 -0.25 0.00 0.00 0.00 0.00 51.96 52.44 2kl2 s ALA 29 Cb -0.08 -0.50 -0.05 0.00 0.00 0.00 0.00 23.12 22.49 2kl2 s ALA 29 CO 0.00 -0.15 2.01 0.12 0.00 0.00 0.00 175.76 177.74 2kl2 s PHE 30 N 0.76 1.63 -0.82 0.00 2.19 -1.26 -1.32 117.98 119.16 2kl2 s PHE 30 Ca -0.05 0.91 0.02 0.00 0.33 0.00 0.00 56.93 58.13 2kl2 s PHE 30 Cb -0.07 -3.95 0.31 0.00 -1.31 0.00 0.00 43.02 38.00 2kl2 s PHE 30 CO -0.05 -1.92 1.23 -2.13 1.83 0.00 0.00 175.22 174.19 2kl2 n ARG 31 N 8.95 3.88 0.00 10.12 3.00 0.47 -4.71 116.66 138.37 2kl2 n ARG 31 Ca 0.36 -4.70 0.00 0.00 -0.00 0.00 0.00 57.85 53.50 2kl2 n ARG 31 Cb 0.48 -2.36 0.00 0.00 0.00 0.00 0.00 32.46 30.58 2kl2 n ARG 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kl2 n GLY 32 N 0.43 -0.37 3.44 5.14 0.00 -1.24 -4.48 105.19 108.11 2kl2 n GLY 32 Ca 0.33 -1.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.09 1.58 0.05 1.61 0.52 0.26 -1.15 118.95 120.72 2kl2 s ARG 33 Ca 0.00 -1.81 -0.27 0.00 -0.52 0.00 0.00 55.73 53.13 2kl2 s ARG 33 Cb 0.00 -1.19 0.10 0.00 0.52 0.00 0.00 34.95 34.38 2kl2 s ARG 33 CO 0.00 0.03 1.20 0.20 0.02 0.00 0.00 175.30 176.76 2kl2 s GLY 34 N -3.46 -0.15 -0.02 -3.53 0.00 -1.14 -1.30 107.32 97.73 2kl2 s GLY 34 Ca 0.30 0.13 0.00 0.00 0.00 0.00 0.00 44.72 45.15 2kl2 s GLY 34 CO 0.12 2.95 0.00 0.00 0.00 0.00 0.00 173.10 176.18 2kl2 s THR 36 N 0.66 3.14 0.06 0.00 -4.23 -1.16 -1.08 115.64 113.02 2kl2 s THR 36 Ca -0.06 0.09 0.23 0.00 -1.18 0.00 0.00 61.69 60.77 2kl2 s THR 36 Cb -0.09 -3.34 0.23 0.00 1.34 0.00 0.00 72.50 70.64 2kl2 s THR 36 CO -0.02 -0.32 1.77 -0.37 -0.54 0.00 0.00 174.62 175.15 2kl2 h VAL 37 N 7.38 0.53 -1.65 2.29 -1.51 -1.89 -3.34 116.25 118.05 2kl2 h VAL 37 Ca -0.26 -1.23 -0.47 0.00 -1.23 0.00 0.00 66.70 63.51 2kl2 h VAL 37 Cb 1.23 1.86 0.01 0.00 -2.13 0.00 0.00 31.29 32.25 2kl2 h VAL 37 CO 1.16 0.23 1.62 -1.61 -1.23 0.00 0.00 177.57 177.74 2kl2 s GLU 38 N -3.53 2.18 0.30 5.19 2.02 -1.22 -4.90 118.70 118.74 2kl2 s GLU 38 Ca 0.01 1.43 -0.29 0.00 0.02 0.00 0.00 54.97 56.14 2kl2 s GLU 38 Cb 0.09 -4.57 -0.12 0.00 0.10 0.00 0.00 34.13 29.63 2kl2 s GLU 38 CO 0.65 -3.19 1.41 0.43 0.02 0.00 0.00 175.26 174.58 2kl2 n SER 39 N 15.56 3.08 -4.08 -0.19 7.64 -1.25 -4.74 113.62 129.65 2kl2 n SER 39 Ca 0.36 1.18 -0.09 0.00 1.01 0.00 0.00 58.87 61.33 2kl2 n SER 39 Cb 0.54 -1.50 -0.10 0.00 -1.01 0.00 0.00 64.21 62.14 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 -0.56 0.56 -0.84 1.43 0.08 -0.30 -0.48 117.98 117.88 2kl2 s PHE 40 Ca 0.61 -0.85 -0.25 0.00 0.12 0.00 0.00 56.93 56.56 2kl2 s PHE 40 Cb -0.57 -0.38 0.01 0.00 -0.57 0.00 0.00 43.02 41.52 2kl2 s PHE 40 CO 0.56 -0.25 1.56 -1.25 -0.10 0.00 0.00 175.22 175.74 2kl2 s PRO 41 N -3.08 3.10 -0.36 0.24 0.04 -1.23 -2.57 135.00 131.13 2kl2 s PRO 41 Ca 0.01 -0.38 -0.19 0.00 0.04 0.00 0.00 61.00 60.48 2kl2 s PRO 41 Cb 0.01 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.79 2kl2 s PRO 41 CO -0.06 -2.50 0.54 -1.17 0.04 0.00 0.00 177.00 173.85 2kl2 s LEU 42 N 6.90 4.36 0.02 -3.56 2.96 -1.26 -3.17 118.68 124.93 2kl2 s LEU 42 Ca 0.51 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.41 2kl2 s LEU 42 Cb -0.06 -2.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 2kl2 s LEU 42 CO 0.05 -0.52 -0.12 0.68 -1.32 0.00 0.00 176.35 175.12 2kl2 s VAL 43 N 2.46 0.91 -0.43 1.68 -7.23 -1.06 -2.22 120.40 114.50 2kl2 s VAL 43 Ca 0.20 -0.76 -0.17 0.00 -1.81 0.00 0.00 61.98 59.44 2kl2 s VAL 43 Cb -0.15 -0.82 0.03 0.00 0.56 0.00 0.00 36.38 36.00 2kl2 s VAL 43 CO 0.14 0.06 0.42 -0.63 -0.31 0.00 0.00 175.10 174.77 2kl2 s ILE 44 N -0.64 5.13 0.52 -0.62 1.01 -1.26 -1.47 121.20 123.87 2kl2 s ILE 44 Ca 0.01 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.13 2kl2 s ILE 44 Cb -0.06 -4.05 0.01 0.00 0.01 0.00 0.00 42.46 38.37 2kl2 s ILE 44 CO 0.00 -0.46 0.10 0.00 0.00 0.00 0.00 174.94 174.58 2kl2 n ALA 45 N 5.50 0.53 -0.50 9.38 0.00 -1.14 -4.87 120.51 129.40 2kl2 n ALA 45 Ca -0.09 -2.28 0.06 0.00 0.00 0.00 0.00 53.44 51.13 2kl2 n ALA 45 Cb 0.47 1.18 -0.03 0.00 0.00 0.00 0.00 19.45 21.06 2kl2 n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl2 n GLY 46 N -1.23 -2.79 0.28 0.00 0.00 -1.26 -0.82 105.19 99.37 2kl2 n GLY 46 Ca -0.17 -1.32 0.16 0.00 0.00 0.00 0.00 46.02 44.69 2kl2 n GLY 46 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kl2 h GLU 47 N -0.49 0.00 -0.35 1.61 3.07 -2.00 -1.65 114.58 114.76 2kl2 h GLU 47 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2kl2 h GLU 47 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 2kl2 h GLU 47 CO 0.03 0.07 0.00 0.72 -1.40 0.00 0.00 179.01 178.43 2kl2 n HIS 48 N -3.37 0.70 -3.13 4.33 8.25 -1.26 -5.00 115.22 115.75 2kl2 n HIS 48 Ca -0.01 -0.63 -0.08 0.00 -0.26 0.00 0.00 57.72 56.74 2kl2 n HIS 48 Cb 0.24 -0.13 0.04 0.00 1.12 0.00 0.00 29.99 31.25 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 0.26 -7.08 -4.24 0.41 4.13 -0.62 -2.85 115.26 105.28 2kl2 n ASN 49 Ca 0.16 -0.41 -0.42 0.00 1.68 0.00 0.00 54.58 55.58 2kl2 n ASN 49 Cb 0.61 -5.18 -0.04 0.00 -1.54 0.00 0.00 39.78 33.63 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 -3.21 5.00 0.67 2.41 1.01 0.00 -3.41 121.20 123.68 2kl2 s ILE 50 Ca 0.25 -2.93 -0.17 0.00 0.00 0.00 0.00 60.65 57.80 2kl2 s ILE 50 Cb -0.03 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 2kl2 s ILE 50 CO 0.73 -1.02 0.82 -0.81 0.00 0.00 0.00 174.94 174.66 2kl2 n PRO 51 N 3.43 0.56 -4.36 2.79 -0.04 -1.26 -2.89 135.00 133.24 2kl2 n PRO 51 Ca 0.15 0.24 -0.18 0.00 -0.04 0.00 0.00 63.50 63.66 2kl2 n PRO 51 Cb 0.42 -2.06 -0.10 0.00 -0.04 0.00 0.00 33.50 31.72 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 -1.74 1.68 -0.05 0.54 0.52 -0.54 -4.87 118.94 114.47 2kl2 s TRP 52 Ca 0.72 -0.92 -0.02 0.00 0.02 0.00 0.00 56.10 55.90 2kl2 s TRP 52 Cb -0.38 -1.00 0.03 0.00 -1.15 0.00 0.00 33.47 30.98 2kl2 s TRP 52 CO 0.51 -0.02 0.05 -1.17 0.02 0.00 0.00 176.95 176.34 2kl2 s LEU 53 N -3.35 0.26 0.09 2.99 1.98 -1.26 -2.57 118.68 116.82 2kl2 s LEU 53 Ca 0.31 0.02 -0.06 0.00 -2.89 0.00 0.00 54.13 51.50 2kl2 s LEU 53 Cb 0.06 -0.22 -0.05 0.00 0.66 0.00 0.00 46.19 46.64 2kl2 s LEU 53 CO 0.11 -0.24 0.35 -0.76 -1.89 0.00 0.00 176.35 173.91 2kl2 s LEU 54 N 2.12 4.32 -1.08 -0.68 2.01 -1.19 -2.19 118.68 121.98 2kl2 s LEU 54 Ca 0.05 0.62 -0.22 0.00 0.01 0.00 0.00 54.13 54.59 2kl2 s LEU 54 Cb -0.12 -3.05 0.04 0.00 0.01 0.00 0.00 46.19 43.06 2kl2 s LEU 54 CO -0.04 0.14 1.59 -0.47 1.01 0.00 0.00 176.35 178.58 2kl2 s TYR 55 N -1.50 2.50 -0.41 0.29 5.04 -1.22 -4.27 117.35 117.78 2kl2 s TYR 55 Ca 0.35 -0.85 0.05 0.00 -2.44 0.00 0.00 57.07 54.19 2kl2 s TYR 55 Cb -0.13 -4.63 0.19 0.00 0.35 0.00 0.00 41.96 37.74 2kl2 s TYR 55 CO 0.21 -1.86 0.40 -0.11 -1.34 0.00 0.00 175.55 172.85 2kl2 n LEU 56 N 9.45 -0.48 -4.63 6.97 0.00 -1.26 -5.03 117.00 122.02 2kl2 n LEU 56 Ca 0.38 -4.38 -0.43 0.00 0.00 0.00 0.00 56.01 51.58 2kl2 n LEU 56 Cb 0.49 0.58 -0.02 0.00 0.00 0.00 0.00 43.42 44.47 2kl2 n LEU 56 CO 0.68 1.91 1.32 -2.16 0.00 0.00 0.00 177.39 179.14 2kl2 s PRO 57 N -0.19 3.87 0.00 1.96 0.04 -1.26 -3.45 135.00 135.98 2kl2 s PRO 57 Ca 0.33 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2kl2 s PRO 57 Cb 0.07 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.62 2kl2 s PRO 57 CO -0.17 -1.19 0.00 0.41 0.04 0.00 0.00 177.00 176.08 2kl2 n GLY 58 N 4.50 1.51 3.01 0.56 0.00 0.37 -4.93 105.19 110.22 2kl2 n GLY 58 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.11 0.40 4.94 1.61 2.47 -1.05 -4.88 119.74 123.12 2kl2 s LYS 59 Ca 0.00 -0.63 0.00 0.00 -1.56 0.00 0.00 55.97 53.78 2kl2 s LYS 59 Cb 0.00 -0.10 0.00 0.00 -1.46 0.00 0.00 37.83 36.27 2kl2 s LYS 59 CO 0.00 0.01 0.00 0.41 0.16 0.00 0.00 175.35 175.93 2kl2 n GLY 60 N 1.67 0.31 3.30 5.54 0.00 -1.26 -1.15 105.19 113.61 2kl2 n GLY 60 Ca -0.22 -0.83 -0.16 0.00 0.00 0.00 0.00 46.02 44.81 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 1.50 -0.61 1.61 3.76 -1.06 -4.69 115.29 115.80 2kl2 s HIS 61 Ca 0.00 -1.20 -0.24 0.00 -0.15 0.00 0.00 55.06 53.47 2kl2 s HIS 61 Cb 0.00 -0.86 0.05 0.00 1.11 0.00 0.00 32.58 32.87 2kl2 s HIS 61 CO 0.00 -0.36 1.01 0.00 -0.85 0.00 0.00 174.74 174.54 2kl2 s VAL 63 N 4.29 3.50 0.35 0.00 1.01 -1.25 -4.64 120.40 123.66 2kl2 s VAL 63 Ca 0.30 0.45 -0.21 0.00 0.00 0.00 0.00 61.98 62.51 2kl2 s VAL 63 Cb -0.13 -3.85 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 2kl2 s VAL 63 CO 0.17 -0.66 0.88 0.42 0.00 0.00 0.00 175.10 175.91 2kl2 s THR 64 N 7.46 4.41 0.00 3.92 -4.23 -0.68 -2.97 115.64 123.56 2kl2 s THR 64 Ca 0.72 1.46 0.00 0.00 -1.18 0.00 0.00 61.69 62.69 2kl2 s THR 64 Cb -0.17 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 69.90 2kl2 s THR 64 CO 0.29 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 2kl2 n GLY 65 N -0.03 1.56 3.22 3.99 0.00 -0.66 -4.81 105.19 108.45 2kl2 n GLY 65 Ca 0.03 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 2kl2 n GLY 65 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kl2 s GLU 66 N 1.35 1.02 -0.37 1.61 -1.05 -1.26 -2.86 118.70 117.14 2kl2 s GLU 66 Ca 0.00 -1.47 -0.02 0.00 -0.15 0.00 0.00 54.97 53.34 2kl2 s GLU 66 Cb 0.00 -0.29 0.09 0.00 -0.44 0.00 0.00 34.13 33.49 2kl2 s GLU 66 CO 0.00 -0.07 0.12 0.42 0.95 0.00 0.00 175.26 176.68 2kl2 s ILE 67 N -3.61 3.08 -0.37 1.83 1.01 -0.30 -2.92 121.20 119.91 2kl2 s ILE 67 Ca 0.20 -1.87 -0.24 0.00 0.00 0.00 0.00 60.65 58.73 2kl2 s ILE 67 Cb 0.05 -3.02 0.01 0.00 0.01 0.00 0.00 42.46 39.52 2kl2 s ILE 67 CO 0.01 -0.49 0.84 -0.31 0.00 0.00 0.00 174.94 174.99 2kl2 s TYR 68 N 1.15 3.09 0.23 3.97 2.02 -1.06 -0.40 117.35 126.35 2kl2 s TYR 68 Ca 0.04 0.62 -0.31 0.00 -0.37 0.00 0.00 57.07 57.05 2kl2 s TYR 68 Cb -0.21 -3.52 -0.11 0.00 -0.40 0.00 0.00 41.96 37.71 2kl2 s TYR 68 CO -0.04 -0.79 1.63 -2.00 -1.57 0.00 0.00 175.55 172.79 2kl2 s GLU 69 N 3.27 4.15 0.08 -0.62 2.56 -0.44 -0.68 118.70 127.03 2kl2 s GLU 69 Ca 0.34 2.53 0.02 0.00 0.00 0.00 0.00 54.97 57.86 2kl2 s GLU 69 Cb -0.13 -3.08 -0.04 0.00 2.00 0.00 0.00 34.13 32.89 2kl2 s GLU 69 CO 0.18 -0.66 -0.07 0.14 -0.56 0.00 0.00 175.26 174.28 2kl2 s VAL 70 N 0.73 0.68 0.67 3.70 -7.23 -1.22 -0.41 120.40 117.31 2kl2 s VAL 70 Ca 0.69 -1.63 0.02 0.00 -1.81 0.00 0.00 61.98 59.26 2kl2 s VAL 70 Cb -0.47 -1.30 0.11 0.00 0.56 0.00 0.00 36.38 35.28 2kl2 s VAL 70 CO 0.37 -0.68 0.92 1.51 -0.31 0.00 0.00 175.10 176.92 2kl2 s ASP 71 N -2.50 4.61 0.36 4.85 -4.77 -1.15 -0.15 116.67 117.92 2kl2 s ASP 71 Ca 0.04 -0.50 0.03 0.00 -3.30 0.00 0.00 52.55 48.83 2kl2 s ASP 71 Cb -0.01 0.04 0.68 0.00 -1.09 0.00 0.00 42.92 42.55 2kl2 s ASP 71 CO -0.03 -1.67 2.01 -0.33 0.70 0.00 0.00 175.17 175.85 2kl2 h GLU 72 N -0.29 0.78 -0.42 2.11 4.39 -1.97 -0.08 114.58 119.11 2kl2 h GLU 72 Ca -0.35 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.27 2kl2 h GLU 72 Cb 1.27 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.73 2kl2 h GLU 72 CO 0.41 0.52 0.14 0.37 -1.16 0.00 0.00 179.01 179.28 2kl2 h GLN 73 N 0.81 0.65 0.03 2.33 5.75 -1.95 -0.57 115.11 122.17 2kl2 h GLN 73 Ca 0.24 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.60 2kl2 h GLN 73 Cb -0.03 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.42 2kl2 h GLN 73 CO -0.06 0.63 -0.01 1.98 -2.65 0.00 0.00 178.83 178.72 2kl2 h MET 74 N 0.54 -0.04 0.00 1.69 4.05 -1.47 0.03 114.93 119.73 2kl2 h MET 74 Ca 0.14 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 2kl2 h MET 74 Cb 0.25 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.06 2kl2 h MET 74 CO -0.01 0.31 0.00 -0.07 0.23 0.00 0.00 176.91 177.37 2kl2 h LEU 75 N -0.39 0.00 0.00 3.39 3.38 -1.00 -0.19 115.31 120.50 2kl2 h LEU 75 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2kl2 h LEU 75 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2kl2 h LEU 75 CO 0.01 0.00 -0.27 0.03 0.09 0.00 0.00 178.44 178.30 2kl2 h ARG 76 N 0.00 0.00 -0.42 1.13 3.08 -0.88 -3.30 114.38 113.99 2kl2 h ARG 76 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 2kl2 h ARG 76 Cb 0.17 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 2kl2 h ARG 76 CO 0.00 0.94 0.05 0.35 -1.07 0.00 0.00 179.97 180.24 2kl2 h PHE 77 N -1.00 0.08 0.00 3.04 3.57 -0.11 -0.24 116.94 122.28 2kl2 h PHE 77 Ca -0.07 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 2kl2 h PHE 77 Cb 1.01 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.78 2kl2 h PHE 77 CO 0.22 -0.03 -0.07 1.25 -2.23 0.00 0.00 178.31 177.45 2kl2 h LEU 78 N 0.17 0.00 0.00 0.59 5.85 -1.27 -0.80 115.31 119.85 2kl2 h LEU 78 Ca 0.21 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2kl2 h LEU 78 Cb 0.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2kl2 h LEU 78 CO -0.30 0.07 0.00 -0.67 -0.34 0.00 0.00 178.44 177.20 2kl2 n ASP 79 N -3.47 0.00 -0.09 1.25 2.03 -0.11 -1.99 116.55 114.17 2kl2 n ASP 79 Ca -0.02 -0.03 -0.15 0.00 0.52 0.00 0.00 54.79 55.11 2kl2 n ASP 79 Cb 0.21 -0.30 -0.08 0.00 -0.72 0.00 0.00 41.12 40.23 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 -1.30 2.23 -0.18 1.67 -0.08 -0.42 -3.81 116.55 114.66 2kl2 n ASP 80 Ca 0.11 -0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.32 2kl2 n ASP 80 Cb 0.20 -0.37 0.07 0.00 2.34 0.00 0.00 41.12 43.36 2kl2 n ASP 80 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2kl2 h PHE 81 N -0.20 1.07 -0.12 -0.67 3.57 -1.23 -2.32 116.94 117.03 2kl2 h PHE 81 Ca -0.43 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 60.90 2kl2 h PHE 81 Cb 1.58 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 40.03 2kl2 h PHE 81 CO -0.00 0.94 0.00 0.39 -2.23 0.00 0.00 178.31 177.41 2kl2 n GLU 82 N -4.19 1.31 -0.55 1.11 -0.58 -0.84 -4.89 120.64 112.01 2kl2 n GLU 82 Ca 0.03 -0.45 0.00 0.00 -0.42 0.00 0.00 57.16 56.32 2kl2 n GLU 82 Cb 0.32 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 30.07 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 -0.12 -0.19 -4.75 1.62 2.03 -0.87 -4.13 116.55 110.14 2kl2 n ASP 83 Ca 0.04 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 55.01 2kl2 n ASP 83 Cb 0.12 -2.37 0.06 0.00 -0.72 0.00 0.00 41.12 38.21 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 -2.23 0.39 0.00 0.00 -0.04 -1.26 -4.68 135.00 127.18 2kl2 n PRO 85 Ca 0.12 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2kl2 n PRO 85 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2kl2 n PRO 85 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kl2 n SER 86 N -1.25 0.00 0.10 3.54 7.64 -1.12 -4.27 113.62 118.25 2kl2 n SER 86 Ca 0.12 0.93 -0.04 0.00 1.01 0.00 0.00 58.87 60.89 2kl2 n SER 86 Cb 0.17 -0.43 -0.02 0.00 -1.01 0.00 0.00 64.21 62.92 2kl2 n SER 86 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2kl2 h MET 87 N 0.00 -0.28 -6.21 1.43 2.86 -1.78 -3.47 114.93 107.48 2kl2 h MET 87 Ca 0.00 0.02 -0.49 0.00 -2.06 0.00 0.00 59.70 57.17 2kl2 h MET 87 Cb 0.00 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 2kl2 h MET 87 CO 0.00 -0.18 -0.41 0.71 1.06 0.00 0.00 176.91 178.09 2kl2 s TYR 88 N -2.61 2.85 0.00 -0.22 2.02 -1.26 -4.77 117.35 113.36 2kl2 s TYR 88 Ca -0.04 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 2kl2 s TYR 88 Cb 0.00 -1.97 0.00 0.00 -0.40 0.00 0.00 41.96 39.60 2kl2 s TYR 88 CO 0.13 0.04 0.00 1.04 -1.57 0.00 0.00 175.55 175.18 2kl2 n GLN 89 N -1.47 3.48 -1.52 -0.62 3.00 0.33 -4.11 117.38 116.47 2kl2 n GLN 89 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2kl2 n GLN 89 Cb 0.60 -0.51 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 -0.74 -4.14 -4.07 -1.09 0.00 -1.23 -4.94 116.66 100.44 2kl2 n ARG 90 Ca 0.00 3.16 -0.14 0.00 -0.00 0.00 0.00 57.85 60.87 2kl2 n ARG 90 Cb 0.00 -3.77 -0.04 0.00 0.00 0.00 0.00 32.46 28.65 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 -4.52 0.00 -0.00 5.15 2.01 -0.78 -4.75 115.64 112.74 2kl2 s THR 91 Ca 0.00 -1.57 0.06 0.00 0.31 0.00 0.00 61.69 60.50 2kl2 s THR 91 Cb 0.00 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 2kl2 s THR 91 CO 0.00 0.00 -0.19 0.00 -0.69 0.00 0.00 174.62 173.74 2kl2 s ALA 92 N -3.06 2.50 0.16 7.40 0.00 -1.26 -2.24 121.76 125.25 2kl2 s ALA 92 Ca 0.30 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 51.18 2kl2 s ALA 92 Cb -0.01 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 2kl2 s ALA 92 CO 0.19 0.55 0.10 1.47 0.00 0.00 0.00 175.76 178.08 2kl2 n LEU 93 N 2.04 0.00 -4.29 0.00 -0.00 -1.22 -5.02 117.00 108.51 2kl2 n LEU 93 Ca -0.16 -1.36 -0.33 0.00 -0.00 0.00 0.00 56.01 54.15 2kl2 n LEU 93 Cb 0.52 0.61 -0.15 0.00 -0.00 0.00 0.00 43.42 44.40 2kl2 n LEU 93 CO 0.25 -0.22 -0.47 -1.58 -0.00 0.00 0.00 177.39 175.37 2kl2 s GLN 94 N -2.62 3.26 -0.13 1.47 2.00 -1.25 -3.52 119.66 118.87 2kl2 s GLN 94 Ca 0.14 -0.73 -0.04 0.00 -2.00 0.00 0.00 55.36 52.73 2kl2 s GLN 94 Cb 0.01 -2.63 0.06 0.00 0.80 0.00 0.00 33.01 31.24 2kl2 s GLN 94 CO 0.10 0.06 0.14 0.54 -0.50 0.00 0.00 175.29 175.62 2kl2 s VAL 95 N 0.73 -0.20 -0.02 1.34 0.11 0.03 -2.94 120.40 119.44 2kl2 s VAL 95 Ca -0.06 0.13 -0.30 0.00 -2.93 0.00 0.00 61.98 58.82 2kl2 s VAL 95 Cb -0.15 -0.43 -0.08 0.00 -1.53 0.00 0.00 36.38 34.19 2kl2 s VAL 95 CO 0.01 -0.04 1.98 -1.58 -3.33 0.00 0.00 175.10 172.15 2kl2 s GLN 96 N 2.24 3.97 -1.04 1.54 0.74 -0.24 0.42 119.66 127.29 2kl2 s GLN 96 Ca 0.04 2.46 -0.19 0.00 0.05 0.00 0.00 55.36 57.72 2kl2 s GLN 96 Cb -0.14 -4.18 0.11 0.00 1.10 0.00 0.00 33.01 29.89 2kl2 s GLN 96 CO -0.08 -1.15 1.33 0.54 -0.55 0.00 0.00 175.29 175.39 2kl2 s VAL 97 N 5.10 4.47 0.26 1.34 0.11 -1.06 -1.91 120.40 128.71 2kl2 s VAL 97 Ca 0.89 -1.52 -0.03 0.00 -2.93 0.00 0.00 61.98 58.38 2kl2 s VAL 97 Cb -0.40 -4.93 0.26 0.00 -1.53 0.00 0.00 36.38 29.79 2kl2 s VAL 97 CO 0.39 -1.71 1.89 -0.07 -3.33 0.00 0.00 175.10 172.28 2kl2 h LEU 98 N 11.25 1.06 -7.41 2.54 -0.00 -1.53 -3.44 115.31 117.78 2kl2 h LEU 98 Ca 0.22 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 58.01 2kl2 h LEU 98 Cb 0.98 -0.23 -0.18 0.00 -0.00 0.00 0.00 40.66 41.23 2kl2 h LEU 98 CO 1.26 0.70 -0.15 -0.70 -0.00 0.00 0.00 178.44 179.55 2kl2 s GLU 99 N -6.06 0.83 -0.02 1.13 2.12 -1.05 -4.93 118.70 110.72 2kl2 s GLU 99 Ca -0.13 -0.26 -0.00 0.00 0.36 0.00 0.00 54.97 54.94 2kl2 s GLU 99 Cb 0.19 0.37 0.03 0.00 0.26 0.00 0.00 34.13 34.99 2kl2 s GLU 99 CO 0.81 -0.26 0.04 -0.46 -0.54 0.00 0.00 175.26 174.85 2kl2 s TRP 100 N -1.95 0.01 -0.40 5.30 -0.11 -1.26 -0.57 118.94 119.96 2kl2 s TRP 100 Ca -0.09 0.16 0.02 0.00 1.22 0.00 0.00 56.10 57.42 2kl2 s TRP 100 Cb -0.02 -0.23 0.11 0.00 -1.50 0.00 0.00 33.47 31.82 2kl2 s TRP 100 CO 0.01 -0.10 0.14 -1.21 -4.62 0.00 0.00 176.95 171.17 2kl2 s GLU 101 N 1.13 1.74 0.00 5.86 2.02 -1.26 -4.82 118.70 123.36 2kl2 s GLU 101 Ca -0.09 -2.04 0.00 0.00 0.02 0.00 0.00 54.97 52.86 2kl2 s GLU 101 Cb -0.13 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 30.77 2kl2 s GLU 101 CO -0.03 -1.01 0.00 0.41 0.02 0.00 0.00 175.26 174.65 2kl2 n GLY 102 N 4.06 -2.09 3.51 -1.39 0.00 -1.26 -4.62 105.19 103.39 2kl2 n GLY 102 Ca 0.03 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.72 0.28 0.00 1.61 -1.08 -1.26 -4.75 116.67 109.75 2kl2 s ASP 103 Ca 0.00 0.67 0.00 0.00 -0.52 0.00 0.00 52.55 52.70 2kl2 s ASP 103 Cb 0.00 -0.93 0.00 0.00 -1.46 0.00 0.00 42.92 40.53 2kl2 s ASP 103 CO 0.00 -4.52 0.00 0.61 0.52 0.00 0.00 175.17 171.78 2kl2 n GLY 104 N -0.29 0.63 3.30 2.66 0.00 -1.26 -5.03 105.19 105.20 2kl2 n GLY 104 Ca 0.13 -0.21 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.94 6.66 0.26 1.61 2.15 -1.26 -4.96 116.67 119.18 2kl2 s ASP 105 Ca 0.00 -2.87 0.06 0.00 0.43 0.00 0.00 52.55 50.17 2kl2 s ASP 105 Cb 0.00 -2.16 0.33 0.00 -0.30 0.00 0.00 42.92 40.79 2kl2 s ASP 105 CO 0.00 -0.50 1.62 1.55 -0.17 0.00 0.00 175.17 177.67 2kl2 h PRO 106 N 7.49 0.22 0.00 4.34 0.13 -1.96 -3.50 132.00 138.73 2kl2 h PRO 106 Ca 0.11 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2kl2 h PRO 106 Cb 1.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2kl2 h PRO 106 CO 0.78 0.70 0.00 0.41 -0.23 0.00 0.00 178.00 179.66 2kl2 n GLY 107 N 0.10 0.60 0.00 1.56 0.00 -1.26 -4.85 105.19 101.34 2kl2 n GLY 107 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2kl2 n GLY 107 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kl2 n ASP 108 N 0.00 0.00 -3.95 1.61 9.92 -1.26 -4.82 116.55 118.05 2kl2 n ASP 108 Ca 0.00 -1.00 -0.09 0.00 -0.53 0.00 0.00 54.79 53.17 2kl2 n ASP 108 Cb 0.00 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.38 2kl2 n ASP 108 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2kl2 s SER 109 N 0.00 0.22 0.28 -2.24 1.04 -1.26 -2.56 113.70 109.18 2kl2 s SER 109 Ca 0.00 -0.58 0.06 0.00 0.48 0.00 0.00 55.95 55.92 2kl2 s SER 109 Cb 0.00 0.21 -0.06 0.00 0.10 0.00 0.00 66.02 66.27 2kl2 s SER 109 CO 0.00 -0.49 -0.05 0.68 0.98 0.00 0.00 173.24 174.36 2kl2 s VAL 110 N -2.59 1.59 -0.52 5.02 -7.23 0.17 -4.76 120.40 112.08 2kl2 s VAL 110 Ca -0.05 -2.11 -0.14 0.00 -1.81 0.00 0.00 61.98 57.87 2kl2 s VAL 110 Cb -0.01 -2.48 0.13 0.00 0.56 0.00 0.00 36.38 34.57 2kl2 s VAL 110 CO -0.05 -0.27 0.46 -1.58 -0.31 0.00 0.00 175.10 173.35 2kl2 s GLN 111 N -3.75 2.86 0.00 4.82 -0.44 -1.26 -0.79 119.66 121.10 2kl2 s GLN 111 Ca 0.30 -1.71 0.00 0.00 -2.50 0.00 0.00 55.36 51.45 2kl2 s GLN 111 Cb 0.04 -4.20 0.00 0.00 -1.64 0.00 0.00 33.01 27.22 2kl2 s GLN 111 CO 0.12 -1.28 0.00 0.00 0.50 0.00 0.00 175.29 174.63 2kl2 s PHE 113 N 1.13 2.12 -0.01 0.00 0.08 -1.22 -3.38 117.98 116.71 2kl2 s PHE 113 Ca 0.00 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.66 2kl2 s PHE 113 Cb 0.00 -1.23 0.01 0.00 -0.57 0.00 0.00 43.02 41.23 2kl2 s PHE 113 CO 0.00 0.17 -0.00 0.08 -0.10 0.00 0.00 175.22 175.37 2kl2 s VAL 114 N -0.90 0.05 -1.29 -0.44 1.01 -0.95 -1.53 120.40 116.34 2kl2 s VAL 114 Ca 0.11 0.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.92 2kl2 s VAL 114 Cb -0.10 -0.08 0.07 0.00 0.00 0.00 0.00 36.38 36.28 2kl2 s VAL 114 CO 0.03 0.04 1.73 -0.31 0.00 0.00 0.00 175.10 176.59 2kl2 s TYR 115 N 0.21 2.77 0.91 5.22 2.02 -1.26 -1.87 117.35 125.35 2kl2 s TYR 115 Ca -0.02 -1.59 -0.14 0.00 -0.37 0.00 0.00 57.07 54.95 2kl2 s TYR 115 Cb -0.03 -4.75 0.16 0.00 -0.40 0.00 0.00 41.96 36.94 2kl2 s TYR 115 CO -0.01 -1.81 1.27 0.95 -1.57 0.00 0.00 175.55 174.39 2kl2 s THR 116 N 4.31 2.01 -0.04 -0.71 -4.23 -1.26 -4.53 115.64 111.19 2kl2 s THR 116 Ca 0.54 -0.02 0.01 0.00 -1.18 0.00 0.00 61.69 61.04 2kl2 s THR 116 Cb 0.04 -2.99 0.02 0.00 1.34 0.00 0.00 72.50 70.91 2kl2 s THR 116 CO 0.07 0.00 -0.02 0.28 -0.54 0.00 0.00 174.62 174.41 2kl2 s THR 117 N -3.78 0.35 -2.36 3.99 -1.32 -0.93 -0.52 115.64 111.07 2kl2 s THR 117 Ca 0.70 -0.02 0.28 0.00 -1.21 0.00 0.00 61.69 61.45 2kl2 s THR 117 Cb -0.06 -0.41 0.52 0.00 -1.51 0.00 0.00 72.50 71.04 2kl2 s THR 117 CO 0.52 0.18 1.73 0.00 -2.21 0.00 0.00 174.62 174.84 2kl2 n ALA 118 N 4.08 2.65 -1.59 11.08 0.00 -1.26 -3.43 120.51 132.04 2kl2 n ALA 118 Ca -0.26 -0.43 -0.04 0.00 0.00 0.00 0.00 53.44 52.71 2kl2 n ALA 118 Cb 0.51 -1.17 0.17 0.00 0.00 0.00 0.00 19.45 18.96 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 0.00 2.46 -0.66 0.00 5.66 -1.26 -5.04 114.28 115.45 2kl2 n THR 119 Ca 0.18 -3.17 -0.31 0.00 -3.05 0.00 0.00 64.05 57.70 2kl2 n THR 119 Cb 0.35 -0.43 0.18 0.00 -1.55 0.00 0.00 70.33 68.87 2kl2 n THR 119 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kl2 n TYR 120 N -1.06 -0.57 -3.79 1.09 4.11 -1.26 -5.05 117.16 110.62 2kl2 n TYR 120 Ca 0.30 0.19 -0.27 0.00 -0.00 0.00 0.00 57.90 58.13 2kl2 n TYR 120 Cb 0.88 -1.81 -0.03 0.00 -0.00 0.00 0.00 39.34 38.38 2kl2 n TYR 120 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2kl2 s ALA 121 N -2.46 3.88 0.36 -3.48 0.00 -1.26 -5.02 121.76 113.78 2kl2 s ALA 121 Ca 0.63 -0.92 0.07 0.00 0.00 0.00 0.00 51.96 51.74 2kl2 s ALA 121 Cb -0.21 -1.91 0.67 0.00 0.00 0.00 0.00 23.12 21.67 2kl2 s ALA 121 CO 0.63 0.46 1.88 -1.00 0.00 0.00 0.00 175.76 177.74 2kl2 h PRO 122 N 2.00 0.39 0.00 0.00 0.13 -2.00 -1.30 132.00 131.22 2kl2 h PRO 122 Ca -0.48 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2kl2 h PRO 122 Cb 1.19 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kl2 h PRO 122 CO 0.68 0.48 0.00 -0.85 -0.23 0.00 0.00 178.00 178.08 2kl2 n GLU 123 N -4.27 0.09 0.02 0.86 0.28 -1.26 -0.78 120.64 115.59 2kl2 n GLU 123 Ca 0.00 0.24 0.11 0.00 -0.16 0.00 0.00 57.16 57.35 2kl2 n GLU 123 Cb 0.26 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.53 2kl2 n GLU 123 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 2kl2 n TRP 124 N -1.37 0.26 0.45 -1.84 7.02 -0.50 -4.23 117.44 117.23 2kl2 n TRP 124 Ca 0.04 0.08 0.13 0.00 -1.02 0.00 0.00 57.50 56.72 2kl2 n TRP 124 Cb 0.10 -0.56 0.33 0.00 -2.42 0.00 0.00 31.31 28.76 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 0.00 0.00 -0.28 -0.99 3.38 -0.93 -3.04 115.31 113.45 2kl2 h LEU 125 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2kl2 h LEU 125 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2kl2 h LEU 125 CO 0.00 0.00 -0.45 -0.26 0.09 0.00 0.00 178.44 177.82 2kl2 h PHE 126 N 0.00 0.00 -4.11 1.13 0.04 -1.70 -3.47 116.94 108.82 2kl2 h PHE 126 Ca 0.00 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.22 2kl2 h PHE 126 Cb 0.81 0.00 0.17 0.00 2.20 0.00 0.00 35.95 39.12 2kl2 h PHE 126 CO 0.00 0.45 0.45 1.28 -0.60 0.00 0.00 178.31 179.89 2kl2 n LEU 127 N -3.29 5.56 -4.77 1.54 4.77 -1.15 -4.96 117.00 114.70 2kl2 n LEU 127 Ca 0.01 0.76 -0.39 0.00 -0.03 0.00 0.00 56.01 56.37 2kl2 n LEU 127 Cb 0.66 -1.54 -0.04 0.00 -2.33 0.00 0.00 43.42 40.17 2kl2 n LEU 127 CO 0.39 -1.21 0.76 -2.16 -1.33 0.00 0.00 177.39 173.85 2kl2 s PRO 128 N -3.55 4.45 0.63 3.23 0.04 -1.26 -4.99 135.00 133.54 2kl2 s PRO 128 Ca 0.80 1.67 -0.05 0.00 0.04 0.00 0.00 61.00 63.46 2kl2 s PRO 128 Cb -0.36 -2.92 0.03 0.00 0.04 0.00 0.00 34.50 31.29 2kl2 s PRO 128 CO 0.43 0.07 0.93 0.71 0.04 0.00 0.00 177.00 179.18 2kl2 s TYR 129 N -1.36 3.09 0.25 0.56 2.02 -1.26 -4.63 117.35 116.02 2kl2 s TYR 129 Ca 0.50 0.49 0.01 0.00 -0.37 0.00 0.00 57.07 57.70 2kl2 s TYR 129 Cb -0.28 -2.90 -0.04 0.00 -0.40 0.00 0.00 41.96 38.34 2kl2 s TYR 129 CO 0.35 -1.04 0.12 -1.01 -1.57 0.00 0.00 175.55 172.41 2kl2 s HIS 130 N -3.06 1.45 0.00 2.71 3.76 -0.94 -5.00 115.29 114.21 2kl2 s HIS 130 Ca 0.56 -1.29 0.00 0.00 -0.15 0.00 0.00 55.06 54.18 2kl2 s HIS 130 Cb -0.11 -0.79 0.00 0.00 1.11 0.00 0.00 32.58 32.80 2kl2 s HIS 130 CO 0.44 -0.48 0.00 -1.91 -0.85 0.00 0.00 174.74 171.94 2kl2 n GLU 131 N -0.44 3.25 -3.66 1.40 2.13 -1.26 -4.47 120.64 117.60 2kl2 n GLU 131 Ca 0.01 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.68 2kl2 n GLU 131 Cb 0.66 -0.56 -0.07 0.00 0.27 0.00 0.00 31.44 31.73 2kl2 n GLU 131 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2kl2 s SER 132 N -0.92 -0.37 0.76 4.31 0.15 -1.26 -1.68 113.70 114.70 2kl2 s SER 132 Ca 0.00 0.26 -0.09 0.00 0.70 0.00 0.00 55.95 56.82 2kl2 s SER 132 Cb 0.00 0.42 0.08 0.00 -1.71 0.00 0.00 66.02 64.80 2kl2 s SER 132 CO 0.00 -0.56 1.10 -0.47 1.20 0.00 0.00 173.24 174.51 2kl2 s TYR 133 N -1.62 2.86 0.00 3.44 5.04 -1.26 -5.04 117.35 120.77 2kl2 s TYR 133 Ca -0.10 0.56 0.00 0.00 -2.44 0.00 0.00 57.07 55.09 2kl2 s TYR 133 Cb -0.02 -3.36 0.00 0.00 0.35 0.00 0.00 41.96 38.93 2kl2 s TYR 133 CO 0.04 -1.62 0.00 -0.25 -1.34 0.00 0.00 175.55 172.38 2kl2 n ASP 134 N -3.12 0.00 0.13 4.32 8.00 -1.26 -4.97 116.55 119.64 2kl2 n ASP 134 Ca 0.08 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.60 2kl2 n ASP 134 Cb 0.61 0.00 0.36 0.00 -0.02 0.00 0.00 41.12 42.07 2kl2 n ASP 134 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2kl2 h SER 135 N 0.00 0.18 0.00 -2.24 0.87 -1.98 -3.09 113.55 107.30 2kl2 h SER 135 Ca 0.00 -0.05 -0.65 0.00 -1.23 0.00 0.00 61.79 59.86 2kl2 h SER 135 Cb 0.00 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2kl2 h SER 135 CO 0.00 0.41 3.06 -0.62 -0.53 0.00 0.00 176.83 179.16 2kl2 n GLU 136 N -4.21 2.67 -4.22 2.24 1.02 -1.26 -4.86 120.64 112.02 2kl2 n GLU 136 Ca -0.01 -2.23 -0.17 0.00 -0.02 0.00 0.00 57.16 54.72 2kl2 n GLU 136 Cb 0.32 -3.02 -0.11 0.00 -0.02 0.00 0.00 31.44 28.62 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 3.38 1.01 0.19 0.62 0.00 -1.17 -5.07 107.32 106.29 2kl2 s GLY 137 Ca 0.53 -1.24 0.24 0.00 0.00 0.00 0.00 44.72 44.24 2kl2 s GLY 137 CO -0.03 -1.30 1.72 -1.55 0.00 0.00 0.00 173.10 171.93 2kl2 n PRO 138 N 0.60 0.18 0.14 2.90 -0.04 -1.26 -3.34 135.00 134.18 2kl2 n PRO 138 Ca -0.16 0.31 0.13 0.00 -0.04 0.00 0.00 63.50 63.74 2kl2 n PRO 138 Cb 0.57 -1.78 0.44 0.00 -0.04 0.00 0.00 33.50 32.69 2kl2 n PRO 138 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kl2 h HIS 139 N 0.00 0.00 0.00 0.54 3.86 -1.97 -3.47 115.15 114.10 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 0.47 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.94 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 0.67 1.74 3.51 2.45 0.00 -1.21 -4.91 105.19 107.44 2kl2 n GLY 140 Ca 0.04 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 0.80 -4.18 0.99 -0.00 -1.26 -4.85 117.00 108.50 2kl2 n LEU 141 Ca 0.00 -1.52 -0.14 0.00 -0.00 0.00 0.00 56.01 54.35 2kl2 n LEU 141 Cb 0.00 -1.39 -0.08 0.00 -0.00 0.00 0.00 43.42 41.95 2kl2 n LEU 141 CO 0.00 -2.57 -0.09 -0.13 -0.00 0.00 0.00 177.39 174.60 2kl2 s ARG 142 N 8.20 1.50 0.18 1.47 3.00 -1.26 -5.00 118.95 127.03 2kl2 s ARG 142 Ca 0.91 -1.70 -0.31 0.00 0.00 0.00 0.00 55.73 54.63 2kl2 s ARG 142 Cb -0.24 0.34 -0.10 0.00 0.00 0.00 0.00 34.95 34.95 2kl2 s ARG 142 CO 0.19 -0.55 1.56 -0.47 0.00 0.00 0.00 175.30 176.03 2kl2 s TYR 143 N -3.79 3.04 -0.62 -0.53 5.04 -1.22 -4.64 117.35 114.63 2kl2 s TYR 143 Ca 0.36 0.65 0.05 0.00 -2.44 0.00 0.00 57.07 55.69 2kl2 s TYR 143 Cb 0.04 -3.93 0.16 0.00 0.35 0.00 0.00 41.96 38.58 2kl2 s TYR 143 CO 0.17 -3.40 0.43 -0.80 -1.34 0.00 0.00 175.55 170.61 2kl2 s ASN 144 N 1.06 4.19 0.27 4.32 0.01 -1.13 -4.90 114.94 118.75 2kl2 s ASN 144 Ca 0.69 -3.56 0.23 0.00 -0.71 0.00 0.00 52.86 49.51 2kl2 s ASN 144 Cb -0.44 -1.42 0.15 0.00 0.41 0.00 0.00 41.25 39.96 2kl2 s ASN 144 CO 0.33 -0.13 1.26 1.55 -1.51 0.00 0.00 177.10 178.60 2kl2 h PRO 145 N 5.64 0.00 0.00 -0.60 0.13 -1.92 -3.45 132.00 131.80 2kl2 h PRO 145 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2kl2 h PRO 145 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2kl2 h PRO 145 CO 0.65 0.00 0.00 -2.13 -0.23 0.00 0.00 178.00 176.29 2kl2 n ARG 146 N -2.75 0.00 0.02 0.86 3.00 -1.26 -4.91 116.66 111.63 2kl2 n ARG 146 Ca 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.83 2kl2 n ARG 146 Cb 0.53 0.00 0.20 0.00 0.00 0.00 0.00 32.46 33.20 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 0.00 0.46 -2.38 -0.14 -0.00 -1.94 -2.77 114.58 107.81 2kl2 h GLU 147 Ca 0.00 -0.18 -0.59 0.00 -0.00 0.00 0.00 59.36 58.59 2kl2 h GLU 147 Cb 0.14 -0.03 -0.41 0.00 -0.00 0.00 0.00 28.75 28.46 2kl2 h GLU 147 CO 0.00 0.69 -0.78 0.09 -0.00 0.00 0.00 179.01 179.00 2kl2 n ASN 148 N -4.11 1.96 0.00 3.06 3.02 -1.26 -5.23 115.26 112.69 2kl2 n ASN 148 Ca -0.01 -3.02 0.00 0.00 -0.03 0.00 0.00 54.58 51.53 2kl2 n ASN 148 Cb 0.41 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 2kl2 n ASN 148 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50