#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 0.15 -0.07 -5.12 0.00 -0.48 -4.96 121.76 111.27 2kl2 s ALA 2 Ca 0.00 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 50.97 2kl2 s ALA 2 Cb 0.00 0.94 0.01 0.00 0.00 0.00 0.00 23.12 24.08 2kl2 s ALA 2 CO 0.00 -0.66 -0.13 -1.01 0.00 0.00 0.00 175.76 173.96 2kl2 s HIS 3 N -4.00 1.54 0.13 0.00 0.09 -1.26 -1.06 115.29 110.73 2kl2 s HIS 3 Ca 0.21 -0.59 0.08 0.00 -0.00 0.00 0.00 55.06 54.76 2kl2 s HIS 3 Cb 0.03 -1.13 -0.04 0.00 -0.00 0.00 0.00 32.58 31.45 2kl2 s HIS 3 CO 0.03 -0.30 -0.19 0.96 -0.00 0.00 0.00 174.74 175.23 2kl2 s ILE 4 N 0.71 1.75 -0.14 0.60 -4.36 -0.63 -2.82 121.20 116.31 2kl2 s ILE 4 Ca -0.14 -1.72 -0.03 0.00 -0.26 0.00 0.00 60.65 58.50 2kl2 s ILE 4 Cb -0.16 -1.69 -0.03 0.00 1.25 0.00 0.00 42.46 41.83 2kl2 s ILE 4 CO 0.03 -0.19 -0.02 0.12 0.24 0.00 0.00 174.94 175.12 2kl2 s PHE 5 N -1.60 3.06 0.75 1.37 5.36 -0.48 -1.42 117.98 125.01 2kl2 s PHE 5 Ca 0.11 -0.16 -0.10 0.00 -0.96 0.00 0.00 56.93 55.81 2kl2 s PHE 5 Cb -0.08 -1.93 0.06 0.00 -0.34 0.00 0.00 43.02 40.73 2kl2 s PHE 5 CO 0.05 0.09 1.11 0.14 -1.46 0.00 0.00 175.22 175.15 2kl2 s VAL 6 N 0.09 2.53 -0.07 3.12 -7.23 -1.12 -4.55 120.40 113.15 2kl2 s VAL 6 Ca 0.00 0.07 0.07 0.00 -1.81 0.00 0.00 61.98 60.31 2kl2 s VAL 6 Cb -0.13 -3.15 -0.09 0.00 0.56 0.00 0.00 36.38 33.56 2kl2 s VAL 6 CO 0.02 -0.19 0.03 0.00 -0.31 0.00 0.00 175.10 174.66 2kl2 n TYR 7 N -3.12 0.00 0.00 2.82 4.11 -1.26 -4.69 117.16 115.01 2kl2 n TYR 7 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.97 2kl2 n TYR 7 Cb 0.60 -0.37 0.00 0.00 -0.00 0.00 0.00 39.34 39.56 2kl2 n TYR 7 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2kl2 n GLY 8 N 2.52 -0.42 0.38 -7.48 0.00 -1.26 -4.17 105.19 94.76 2kl2 n GLY 8 Ca -0.12 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 0.80 -1.10 2.61 1.35 -1.95 -3.33 112.91 111.29 2kl2 h THR 9 Ca 0.00 -0.21 -0.43 0.00 -0.55 0.00 0.00 66.41 65.21 2kl2 h THR 9 Cb 0.00 0.13 -0.41 0.00 -1.73 0.00 0.00 68.15 66.14 2kl2 h THR 9 CO 0.00 0.11 -1.02 0.18 -0.25 0.00 0.00 175.52 174.55 2kl2 n LEU 10 N -4.55 2.73 0.18 3.87 4.77 -1.26 -2.82 117.00 119.93 2kl2 n LEU 10 Ca 0.18 -4.20 0.00 0.00 -0.03 0.00 0.00 56.01 51.96 2kl2 n LEU 10 Cb 0.52 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2kl2 n LEU 10 CO 0.30 1.76 0.00 1.17 -1.33 0.00 0.00 177.39 179.29 2kl2 n LYS 11 N -0.29 0.00 0.00 3.23 0.00 -1.25 -4.93 118.16 114.92 2kl2 n LYS 11 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.52 2kl2 n LYS 11 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.81 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 -3.42 0.00 -2.66 1.64 5.12 -1.26 -4.98 116.66 111.10 2kl2 n ARG 12 Ca 0.00 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.88 2kl2 n ARG 12 Cb 0.00 -0.37 -0.00 0.00 -1.16 0.00 0.00 32.46 30.93 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 1.76 -0.53 3.53 -0.13 0.00 -1.26 -5.01 105.19 103.54 2kl2 n GLY 13 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.51 -0.99 0.00 1.61 3.00 -1.25 -4.79 117.38 114.45 2kl2 n GLN 14 Ca -0.25 -0.24 0.03 0.00 -0.01 0.00 0.00 57.00 56.53 2kl2 n GLN 14 Cb 0.67 -2.14 0.18 0.00 0.00 0.00 0.00 30.24 28.95 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 -3.59 0.14 -0.01 -1.09 -0.04 -1.26 -2.00 135.00 127.16 2kl2 n PRO 15 Ca 0.08 0.14 0.01 0.00 -0.04 0.00 0.00 63.50 63.69 2kl2 n PRO 15 Cb 0.54 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.18 1.99 0.07 3.54 3.02 -1.26 -4.72 115.26 116.71 2kl2 n ASN 16 Ca 0.04 -2.06 -0.21 0.00 -0.03 0.00 0.00 54.58 52.32 2kl2 n ASN 16 Cb 0.04 -0.03 -0.15 0.00 -0.61 0.00 0.00 39.78 39.04 2kl2 n ASN 16 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 2kl2 h HIS 17 N 0.00 0.65 0.00 3.10 2.07 -1.24 -3.37 115.15 116.37 2kl2 h HIS 17 Ca 0.00 -0.47 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 2kl2 h HIS 17 Cb 0.54 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 30.49 2kl2 h HIS 17 CO 0.00 1.60 0.00 1.57 -3.07 0.00 0.00 177.93 178.03 2kl2 h LYS 18 N 0.10 0.00 -0.49 5.12 5.09 -1.84 -1.91 116.57 122.64 2kl2 h LYS 18 Ca -0.32 0.00 0.01 0.00 0.09 0.00 0.00 60.65 60.43 2kl2 h LYS 18 Cb 2.08 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 34.39 2kl2 h LYS 18 CO 0.17 0.00 0.32 -0.39 -2.09 0.00 0.00 179.45 177.47 2kl2 h VAL 19 N 0.00 1.10 0.00 0.07 -1.51 -1.93 -0.40 116.25 113.58 2kl2 h VAL 19 Ca 0.00 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 2kl2 h VAL 19 Cb 0.08 0.42 0.00 0.00 -2.13 0.00 0.00 31.29 29.65 2kl2 h VAL 19 CO 0.00 0.11 0.00 1.15 -1.23 0.00 0.00 177.57 177.60 2kl2 n MET 20 N -4.47 0.95 -0.01 5.19 0.00 -0.72 -3.26 117.12 114.80 2kl2 n MET 20 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.77 2kl2 n MET 20 Cb 0.08 -1.30 0.03 0.00 0.00 0.00 0.00 33.22 32.02 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 -0.80 2.06 0.00 3.17 4.77 -0.17 -4.20 117.00 121.83 2kl2 n LEU 21 Ca 0.14 -2.21 0.00 0.00 -0.03 0.00 0.00 56.01 53.91 2kl2 n LEU 21 Cb 0.06 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2kl2 n LEU 21 CO 0.10 0.54 0.19 0.47 -1.33 0.00 0.00 177.39 177.36 2kl2 n ASP 22 N -0.68 0.50 -2.33 -1.43 8.00 -1.19 -5.03 116.55 114.40 2kl2 n ASP 22 Ca 0.03 -1.14 -0.03 0.00 0.71 0.00 0.00 54.79 54.35 2kl2 n ASP 22 Cb 0.33 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.42 2kl2 n ASP 22 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2kl2 n HIS 23 N -0.07 -1.73 0.09 1.24 -0.00 -1.26 -4.71 115.22 108.78 2kl2 n HIS 23 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.73 2kl2 n HIS 23 Cb 0.26 -1.47 -0.01 0.00 -0.00 0.00 0.00 29.99 28.76 2kl2 n HIS 23 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2kl2 n SER 24 N -1.33 0.98 -0.36 0.26 7.64 -1.26 -4.57 113.62 114.97 2kl2 n SER 24 Ca -0.04 -0.44 0.05 0.00 1.01 0.00 0.00 58.87 59.45 2kl2 n SER 24 Cb 0.48 1.02 0.03 0.00 -1.01 0.00 0.00 64.21 64.74 2kl2 n SER 24 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2kl2 n HIS 25 N -1.16 0.00 0.00 1.43 8.25 -1.26 -5.10 115.22 117.38 2kl2 n HIS 25 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kl2 n HIS 25 Cb 0.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 0.69 2.08 3.76 -1.41 0.00 -1.26 -3.85 105.19 105.20 2kl2 n GLY 26 Ca 0.06 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 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 4.62 0.03 0.99 2.96 -1.26 -4.22 118.68 121.79 2kl2 s LEU 27 Ca 0.00 1.78 -0.10 0.00 -0.22 0.00 0.00 54.13 55.59 2kl2 s LEU 27 Cb 0.00 -3.44 0.01 0.00 0.50 0.00 0.00 46.19 43.26 2kl2 s LEU 27 CO 0.00 0.18 0.21 0.00 -1.32 0.00 0.00 176.35 175.42 2kl2 s ALA 28 N -1.12 -0.42 -0.12 5.97 0.00 -1.26 -3.51 121.76 121.30 2kl2 s ALA 28 Ca 0.38 -0.18 -0.14 0.00 0.00 0.00 0.00 51.96 52.02 2kl2 s ALA 28 Cb -0.24 0.24 0.04 0.00 0.00 0.00 0.00 23.12 23.15 2kl2 s ALA 28 CO 0.29 -0.33 0.38 0.00 0.00 0.00 0.00 175.76 176.09 2kl2 s ALA 29 N -2.29 -0.94 0.01 0.00 0.00 0.06 -4.91 121.76 113.69 2kl2 s ALA 29 Ca -0.07 0.95 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 2kl2 s ALA 29 Cb -0.02 -0.49 -0.09 0.00 0.00 0.00 0.00 23.12 22.52 2kl2 s ALA 29 CO -0.02 -0.20 2.01 0.34 0.00 0.00 0.00 175.76 177.89 2kl2 n PHE 30 N 2.54 2.45 -2.78 0.00 7.35 -1.26 -1.05 117.46 124.71 2kl2 n PHE 30 Ca -0.15 -0.36 -0.01 0.00 -0.76 0.00 0.00 57.45 56.17 2kl2 n PHE 30 Cb 0.57 -2.80 0.05 0.00 0.35 0.00 0.00 39.48 37.65 2kl2 n PHE 30 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2kl2 n ARG 31 N 7.70 1.74 0.00 -4.13 3.00 -0.51 -4.82 116.66 119.64 2kl2 n ARG 31 Ca 0.21 -3.47 0.00 0.00 -0.00 0.00 0.00 57.85 54.60 2kl2 n ARG 31 Cb 0.41 -1.56 0.00 0.00 0.00 0.00 0.00 32.46 31.31 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 -0.55 2.78 3.74 5.14 0.00 -1.22 -4.38 105.19 110.69 2kl2 n GLY 32 Ca 0.09 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.83 2.68 0.33 1.61 1.70 -1.17 -1.02 118.95 120.25 2kl2 s ARG 33 Ca 0.00 2.05 -0.18 0.00 -0.47 0.00 0.00 55.73 57.13 2kl2 s ARG 33 Cb 0.00 -1.90 0.04 0.00 -0.57 0.00 0.00 34.95 32.52 2kl2 s ARG 33 CO 0.00 -1.50 0.78 0.20 -1.08 0.00 0.00 175.30 173.70 2kl2 s GLY 34 N -1.37 0.17 0.03 3.88 0.00 -1.02 -0.67 107.32 108.33 2kl2 s GLY 34 Ca 0.81 -0.55 0.02 0.00 0.00 0.00 0.00 44.72 44.99 2kl2 s GLY 34 CO 0.39 -0.13 -0.06 0.00 0.00 0.00 0.00 173.10 173.30 2kl2 s THR 36 N -1.03 3.37 0.22 0.00 -4.23 -1.25 -0.99 115.64 111.74 2kl2 s THR 36 Ca -0.07 0.45 -0.03 0.00 -1.18 0.00 0.00 61.69 60.86 2kl2 s THR 36 Cb -0.08 -3.29 0.03 0.00 1.34 0.00 0.00 72.50 70.50 2kl2 s THR 36 CO 0.00 -0.04 1.63 0.58 -0.54 0.00 0.00 174.62 176.25 2kl2 h VAL 37 N 5.59 1.27 -3.77 2.29 2.07 -1.89 -3.41 116.25 118.40 2kl2 h VAL 37 Ca -0.43 -1.36 -0.49 0.00 0.82 0.00 0.00 66.70 65.23 2kl2 h VAL 37 Cb 1.20 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 2kl2 h VAL 37 CO 0.95 0.45 0.39 -1.61 0.02 0.00 0.00 177.57 177.77 2kl2 s GLU 38 N -4.54 4.78 0.67 1.57 0.41 -1.26 -5.01 118.70 115.31 2kl2 s GLU 38 Ca -0.09 1.58 -0.17 0.00 -0.41 0.00 0.00 54.97 55.88 2kl2 s GLU 38 Cb 0.13 -3.23 0.00 0.00 -1.78 0.00 0.00 34.13 29.25 2kl2 s GLU 38 CO 0.83 0.41 1.28 -1.12 -0.49 0.00 0.00 175.26 176.17 2kl2 s SER 39 N -1.11 4.44 0.07 -0.19 0.01 -1.26 -4.58 113.70 111.09 2kl2 s SER 39 Ca 0.43 2.57 0.03 0.00 1.31 0.00 0.00 55.95 60.29 2kl2 s SER 39 Cb -0.28 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.31 2kl2 s SER 39 CO 0.34 -2.11 -0.09 -0.36 0.41 0.00 0.00 173.24 171.44 2kl2 s PHE 40 N -1.53 0.89 -0.92 2.43 0.08 0.36 -0.74 117.98 118.55 2kl2 s PHE 40 Ca 0.81 -0.64 -0.24 0.00 0.12 0.00 0.00 56.93 56.98 2kl2 s PHE 40 Cb -0.36 -0.51 0.01 0.00 -0.57 0.00 0.00 43.02 41.60 2kl2 s PHE 40 CO 0.41 -0.06 1.60 -1.25 -0.10 0.00 0.00 175.22 175.82 2kl2 s PRO 41 N -2.46 3.17 -0.46 0.24 0.04 -1.06 -1.29 135.00 133.19 2kl2 s PRO 41 Ca 0.00 -0.64 -0.22 0.00 0.04 0.00 0.00 61.00 60.19 2kl2 s PRO 41 Cb -0.04 -5.05 0.03 0.00 0.04 0.00 0.00 34.50 29.48 2kl2 s PRO 41 CO -0.01 -2.57 0.71 -1.17 0.04 0.00 0.00 177.00 174.01 2kl2 s LEU 42 N 6.81 4.45 -0.05 -3.56 2.96 -1.26 -2.78 118.68 125.26 2kl2 s LEU 42 Ca 0.53 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 54.14 2kl2 s LEU 42 Cb -0.04 -2.77 -0.01 0.00 0.50 0.00 0.00 46.19 43.88 2kl2 s LEU 42 CO -0.02 -0.88 -0.20 0.68 -1.32 0.00 0.00 176.35 174.61 2kl2 s VAL 43 N 3.04 1.68 -0.88 1.68 -7.23 -0.99 -2.46 120.40 115.24 2kl2 s VAL 43 Ca 0.24 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 2kl2 s VAL 43 Cb -0.14 -1.43 0.26 0.00 0.56 0.00 0.00 36.38 35.63 2kl2 s VAL 43 CO 0.19 0.48 1.03 -0.38 -0.31 0.00 0.00 175.10 176.11 2kl2 n ILE 44 N 3.01 3.67 -2.26 -0.62 5.41 -1.26 -0.47 119.36 126.84 2kl2 n ILE 44 Ca -0.18 -5.46 -0.27 0.00 1.00 0.00 0.00 62.75 57.84 2kl2 n ILE 44 Cb 0.53 -2.17 0.16 0.00 -0.71 0.00 0.00 39.64 37.44 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 -2.29 2.91 0.00 -1.39 0.00 -1.25 -4.67 121.76 115.07 2kl2 s ALA 45 Ca 0.33 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.74 2kl2 s ALA 45 Cb 0.05 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.81 2kl2 s ALA 45 CO 0.00 -2.08 0.00 0.41 0.00 0.00 0.00 175.76 174.09 2kl2 n GLY 46 N -3.39 -1.75 0.05 0.00 0.00 -1.26 -1.07 105.19 97.76 2kl2 n GLY 46 Ca 0.16 -1.45 0.08 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.96 0.07 -0.25 1.61 2.13 -1.26 -1.21 120.64 120.77 2kl2 n GLU 47 Ca 0.00 0.34 0.07 0.00 0.66 0.00 0.00 57.16 58.23 2kl2 n GLU 47 Cb 0.00 -1.63 0.18 0.00 0.27 0.00 0.00 31.44 30.26 2kl2 n GLU 47 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2kl2 n HIS 48 N -1.76 0.51 -3.32 4.31 8.25 -1.26 -5.01 115.22 116.94 2kl2 n HIS 48 Ca 0.03 -0.79 -0.16 0.00 -0.26 0.00 0.00 57.72 56.54 2kl2 n HIS 48 Cb 0.17 -0.19 0.01 0.00 1.12 0.00 0.00 29.99 31.10 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 -0.52 -6.53 -4.24 0.41 3.02 -0.35 -1.99 115.26 105.05 2kl2 n ASN 49 Ca 0.16 -0.22 -0.43 0.00 -0.03 0.00 0.00 54.58 54.06 2kl2 n ASN 49 Cb 0.66 -3.57 -0.04 0.00 -0.61 0.00 0.00 39.78 36.22 2kl2 n ASN 49 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2kl2 s ILE 50 N -2.62 5.00 -0.37 2.41 1.01 -0.23 -3.93 121.20 122.46 2kl2 s ILE 50 Ca 0.13 -2.84 -0.31 0.00 0.00 0.00 0.00 60.65 57.63 2kl2 s ILE 50 Cb -0.02 -4.11 -0.09 0.00 0.01 0.00 0.00 42.46 38.24 2kl2 s ILE 50 CO 0.82 -1.01 2.28 -0.81 0.00 0.00 0.00 174.94 176.22 2kl2 n PRO 51 N 3.55 1.31 -3.19 2.79 -0.04 -1.26 -3.74 135.00 134.42 2kl2 n PRO 51 Ca 0.14 0.30 -0.41 0.00 -0.04 0.00 0.00 63.50 63.49 2kl2 n PRO 51 Cb 0.43 -2.85 -0.07 0.00 -0.04 0.00 0.00 33.50 30.96 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 8.68 3.21 -0.90 0.54 0.52 0.38 -4.95 118.94 126.41 2kl2 s TRP 52 Ca 1.06 0.44 -0.21 0.00 0.02 0.00 0.00 56.10 57.41 2kl2 s TRP 52 Cb -0.58 -2.92 0.09 0.00 -1.15 0.00 0.00 33.47 28.92 2kl2 s TRP 52 CO 0.40 -0.46 1.20 -1.17 0.02 0.00 0.00 176.95 176.94 2kl2 s LEU 53 N 2.47 4.42 0.04 2.99 0.20 -1.26 -2.35 118.68 125.19 2kl2 s LEU 53 Ca 0.22 -1.63 -0.30 0.00 0.69 0.00 0.00 54.13 53.11 2kl2 s LEU 53 Cb -0.15 -2.46 -0.08 0.00 -0.43 0.00 0.00 46.19 43.07 2kl2 s LEU 53 CO 0.12 -1.29 1.64 -0.76 -0.29 0.00 0.00 176.35 175.77 2kl2 s LEU 54 N 3.70 4.36 -1.10 -0.68 1.02 -1.12 -0.88 118.68 123.98 2kl2 s LEU 54 Ca 0.35 2.42 -0.22 0.00 0.02 0.00 0.00 54.13 56.69 2kl2 s LEU 54 Cb -0.06 -3.56 -0.01 0.00 0.02 0.00 0.00 46.19 42.58 2kl2 s LEU 54 CO -0.05 -0.88 1.80 -0.47 0.02 0.00 0.00 176.35 176.76 2kl2 s TYR 55 N 2.89 2.21 -0.40 0.29 5.04 -0.27 -4.19 117.35 122.92 2kl2 s TYR 55 Ca 0.73 -0.20 0.02 0.00 -2.44 0.00 0.00 57.07 55.18 2kl2 s TYR 55 Cb -0.38 -4.32 0.15 0.00 0.35 0.00 0.00 41.96 37.77 2kl2 s TYR 55 CO 0.32 -1.63 0.28 -1.17 -1.34 0.00 0.00 175.55 172.00 2kl2 s LEU 56 N 8.08 1.42 0.11 6.97 1.98 -1.26 -4.97 118.68 131.00 2kl2 s LEU 56 Ca 0.61 -2.67 -0.31 0.00 -2.89 0.00 0.00 54.13 48.87 2kl2 s LEU 56 Cb -0.01 -0.50 -0.09 0.00 0.66 0.00 0.00 46.19 46.25 2kl2 s LEU 56 CO 0.03 -0.24 1.65 -2.16 -1.89 0.00 0.00 176.35 173.75 2kl2 s PRO 57 N 0.48 4.19 0.00 0.98 0.04 -1.26 -2.89 135.00 136.54 2kl2 s PRO 57 Ca 0.25 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.67 2kl2 s PRO 57 Cb -0.10 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 30.99 2kl2 s PRO 57 CO -0.09 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.65 2kl2 n GLY 58 N 3.96 0.69 3.39 0.56 0.00 0.08 -4.95 105.19 108.93 2kl2 n GLY 58 Ca 0.15 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.89 1.45 4.94 1.61 2.47 -1.14 -4.85 119.74 123.33 2kl2 s LYS 59 Ca 0.00 -1.57 0.00 0.00 -1.56 0.00 0.00 55.97 52.84 2kl2 s LYS 59 Cb 0.00 -1.53 0.00 0.00 -1.46 0.00 0.00 37.83 34.84 2kl2 s LYS 59 CO 0.00 0.30 0.00 0.41 0.16 0.00 0.00 175.35 176.22 2kl2 n GLY 60 N -0.10 1.60 3.26 5.54 0.00 -1.26 -1.06 105.19 113.18 2kl2 n GLY 60 Ca -0.10 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.11 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 1.31 -0.55 1.61 3.76 -0.41 -4.61 115.29 116.41 2kl2 s HIS 61 Ca 0.00 -0.75 -0.26 0.00 -0.15 0.00 0.00 55.06 53.90 2kl2 s HIS 61 Cb 0.00 -0.67 0.03 0.00 1.11 0.00 0.00 32.58 33.06 2kl2 s HIS 61 CO 0.00 0.10 1.04 0.00 -0.85 0.00 0.00 174.74 175.03 2kl2 s VAL 63 N 4.31 3.87 0.52 0.00 1.01 -1.24 -4.64 120.40 124.24 2kl2 s VAL 63 Ca 0.36 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 61.27 2kl2 s VAL 63 Cb -0.10 -4.92 -0.06 0.00 0.00 0.00 0.00 36.38 31.30 2kl2 s VAL 63 CO 0.23 -1.79 1.37 0.35 0.00 0.00 0.00 175.10 175.25 2kl2 n THR 64 N 6.99 3.55 -1.21 3.92 -2.24 -0.80 -3.78 114.28 120.71 2kl2 n THR 64 Ca 0.36 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2kl2 n THR 64 Cb 0.50 -1.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 2kl2 n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kl2 n GLY 65 N 0.73 2.89 3.16 3.38 0.00 -0.59 -4.79 105.19 109.96 2kl2 n GLY 65 Ca 0.09 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 2kl2 n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kl2 s GLU 66 N 1.99 0.70 -0.67 1.61 -6.30 -1.26 -2.44 118.70 112.34 2kl2 s GLU 66 Ca 0.00 -0.85 -0.07 0.00 -2.50 0.00 0.00 54.97 51.54 2kl2 s GLU 66 Cb 0.00 0.28 0.17 0.00 0.00 0.00 0.00 34.13 34.58 2kl2 s GLU 66 CO 0.00 -0.20 0.53 0.42 0.02 0.00 0.00 175.26 176.03 2kl2 s ILE 67 N -3.19 4.39 -0.07 -3.70 1.01 -0.19 -2.81 121.20 116.65 2kl2 s ILE 67 Ca -0.00 -2.63 -0.29 0.00 0.00 0.00 0.00 60.65 57.73 2kl2 s ILE 67 Cb 0.02 -3.81 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 2kl2 s ILE 67 CO -0.07 -0.91 0.97 -0.31 0.00 0.00 0.00 174.94 174.61 2kl2 s TYR 68 N 0.22 3.56 0.07 3.97 2.02 -0.51 -1.43 117.35 125.26 2kl2 s TYR 68 Ca 0.16 1.58 -0.31 0.00 -0.37 0.00 0.00 57.07 58.13 2kl2 s TYR 68 Cb -0.18 -3.13 -0.06 0.00 -0.40 0.00 0.00 41.96 38.20 2kl2 s TYR 68 CO -0.05 -0.13 1.20 -2.00 -1.57 0.00 0.00 175.55 173.00 2kl2 s GLU 69 N 1.60 4.44 0.30 -0.62 2.12 -0.21 -1.61 118.70 124.72 2kl2 s GLU 69 Ca 0.48 1.78 0.00 0.00 0.36 0.00 0.00 54.97 57.59 2kl2 s GLU 69 Cb -0.19 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.85 2kl2 s GLU 69 CO 0.21 -0.24 0.35 0.14 -0.54 0.00 0.00 175.26 175.18 2kl2 s VAL 70 N 0.96 0.00 0.30 3.70 -7.23 -0.22 -0.76 120.40 117.15 2kl2 s VAL 70 Ca 0.58 -1.79 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 2kl2 s VAL 70 Cb -0.30 -2.53 -0.00 0.00 0.56 0.00 0.00 36.38 34.11 2kl2 s VAL 70 CO 0.30 0.00 0.02 -0.90 -0.31 0.00 0.00 175.10 174.20 2kl2 n ASP 71 N -1.14 2.57 -0.04 4.85 5.75 -1.23 -1.00 116.55 126.30 2kl2 n ASP 71 Ca 0.03 -2.38 -0.08 0.00 -0.01 0.00 0.00 54.79 52.35 2kl2 n ASP 71 Cb 0.63 0.30 -0.02 0.00 -1.03 0.00 0.00 41.12 41.00 2kl2 n ASP 71 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2kl2 h GLU 72 N 0.00 -0.17 -0.78 0.11 5.08 -1.94 -2.18 114.58 114.69 2kl2 h GLU 72 Ca -0.25 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 2kl2 h GLU 72 Cb 0.79 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 2kl2 h GLU 72 CO 0.41 -0.11 0.33 0.37 -1.00 0.00 0.00 179.01 179.01 2kl2 h GLN 73 N -0.18 1.15 -0.46 2.33 5.75 -1.95 0.10 115.11 121.86 2kl2 h GLN 73 Ca 0.13 -0.19 -0.04 0.00 -0.15 0.00 0.00 58.65 58.39 2kl2 h GLN 73 Cb 0.37 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 2kl2 h GLN 73 CO -0.33 0.92 0.11 1.98 -2.65 0.00 0.00 178.83 178.86 2kl2 h MET 74 N 1.13 0.73 -0.50 1.69 4.05 -1.64 -0.07 114.93 120.31 2kl2 h MET 74 Ca 0.26 -0.18 -0.06 0.00 -0.28 0.00 0.00 59.70 59.45 2kl2 h MET 74 Cb 0.18 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 2kl2 h MET 74 CO -0.03 0.73 0.09 1.25 0.23 0.00 0.00 176.91 179.18 2kl2 h LEU 75 N 0.61 0.79 -0.85 3.39 5.85 -0.70 -1.72 115.31 122.68 2kl2 h LEU 75 Ca 0.14 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.66 2kl2 h LEU 75 Cb 0.33 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 2kl2 h LEU 75 CO 0.00 0.84 0.54 0.03 -0.34 0.00 0.00 178.44 179.51 2kl2 h ARG 76 N 0.70 0.98 0.23 1.25 3.08 -0.74 -1.45 114.38 118.45 2kl2 h ARG 76 Ca 0.15 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 2kl2 h ARG 76 Cb 0.38 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2kl2 h ARG 76 CO 0.01 0.65 -0.11 0.35 -1.07 0.00 0.00 179.97 179.80 2kl2 h PHE 77 N 1.01 -0.29 -0.98 3.04 3.57 -0.61 -2.31 116.94 120.37 2kl2 h PHE 77 Ca 0.35 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.98 2kl2 h PHE 77 Cb 0.08 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 38.83 2kl2 h PHE 77 CO -0.03 -0.05 0.62 -0.07 -2.23 0.00 0.00 178.31 176.55 2kl2 h LEU 78 N -0.49 0.85 -0.71 0.59 4.07 -1.20 0.20 115.31 118.62 2kl2 h LEU 78 Ca -0.03 0.05 0.06 0.00 0.08 0.00 0.00 57.88 58.04 2kl2 h LEU 78 Cb 0.37 -0.12 -0.05 0.00 1.08 0.00 0.00 40.66 41.94 2kl2 h LEU 78 CO 0.05 0.43 0.41 -0.78 -1.08 0.00 0.00 178.44 177.47 2kl2 h ASP 79 N 0.90 0.63 0.90 -0.43 3.58 -0.83 -1.19 116.42 119.97 2kl2 h ASP 79 Ca 0.50 0.02 -0.18 0.00 0.42 0.00 0.00 57.03 57.79 2kl2 h ASP 79 Cb 0.59 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.51 2kl2 h ASP 79 CO -0.27 0.41 -1.19 -0.78 -2.88 0.00 0.00 179.24 174.53 2kl2 h ASP 80 N 0.76 0.00 0.09 2.28 3.58 -0.79 -3.03 116.42 119.31 2kl2 h ASP 80 Ca 0.31 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 57.39 2kl2 h ASP 80 Cb 0.16 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 2kl2 h ASP 80 CO -0.17 0.69 -2.13 0.33 -2.88 0.00 0.00 179.24 175.08 2kl2 n PHE 81 N -3.06 0.90 1.73 0.28 7.35 0.61 -3.89 117.46 121.37 2kl2 n PHE 81 Ca -0.07 0.19 0.05 0.00 -0.76 0.00 0.00 57.45 56.87 2kl2 n PHE 81 Cb 0.86 -1.12 0.26 0.00 0.35 0.00 0.00 39.48 39.84 2kl2 n PHE 81 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2kl2 n GLU 82 N -3.43 1.22 -2.37 -4.13 -0.58 -0.46 -4.91 120.64 105.98 2kl2 n GLU 82 Ca -0.36 -0.34 -0.21 0.00 -0.42 0.00 0.00 57.16 55.83 2kl2 n GLU 82 Cb 1.03 -1.19 -0.01 0.00 -0.57 0.00 0.00 31.44 30.69 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 -0.33 -5.84 -4.76 1.62 -0.08 -1.25 -4.05 116.55 101.86 2kl2 n ASP 83 Ca 0.09 0.01 -0.29 0.00 -1.51 0.00 0.00 54.79 53.09 2kl2 n ASP 83 Cb 0.11 -4.87 0.14 0.00 2.34 0.00 0.00 41.12 38.83 2kl2 n ASP 83 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kl2 n PRO 85 N -3.80 0.26 0.43 0.00 -0.04 -1.26 -4.77 135.00 125.82 2kl2 n PRO 85 Ca 0.06 0.12 -0.17 0.00 -0.04 0.00 0.00 63.50 63.47 2kl2 n PRO 85 Cb 0.58 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.93 0.00 3.54 0.02 -1.87 -3.41 113.55 110.91 2kl2 h SER 86 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2kl2 h SER 86 Cb 0.10 0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2kl2 h SER 86 CO 0.00 -0.65 0.00 0.23 -1.14 0.00 0.00 176.83 175.27 2kl2 n MET 87 N -5.05 0.00 -2.14 3.45 2.81 0.23 -4.96 117.12 111.46 2kl2 n MET 87 Ca -0.14 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.48 2kl2 n MET 87 Cb 0.43 -0.35 0.15 0.00 -0.71 0.00 0.00 33.22 32.74 2kl2 n MET 87 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2kl2 s TYR 88 N -0.10 1.78 -0.01 2.03 2.02 -1.26 -4.88 117.35 116.93 2kl2 s TYR 88 Ca 0.00 0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.89 2kl2 s TYR 88 Cb 0.00 -3.69 0.01 0.00 -0.40 0.00 0.00 41.96 37.87 2kl2 s TYR 88 CO 0.00 -2.23 -0.03 -0.65 -1.57 0.00 0.00 175.55 171.07 2kl2 s GLN 89 N -5.61 0.34 0.18 -0.62 1.11 0.45 -4.19 119.66 111.32 2kl2 s GLN 89 Ca 0.70 -0.08 -0.30 0.00 0.01 0.00 0.00 55.36 55.68 2kl2 s GLN 89 Cb -0.05 -0.38 -0.08 0.00 -1.01 0.00 0.00 33.01 31.49 2kl2 s GLN 89 CO 0.50 0.02 1.30 0.50 0.01 0.00 0.00 175.29 177.61 2kl2 s ARG 90 N 0.24 4.40 0.31 2.91 3.00 -1.26 -0.88 118.95 127.67 2kl2 s ARG 90 Ca -0.02 2.01 0.04 0.00 -1.00 0.00 0.00 55.73 56.76 2kl2 s ARG 90 Cb -0.05 -3.22 -0.03 0.00 0.00 0.00 0.00 34.95 31.65 2kl2 s ARG 90 CO -0.00 -0.25 0.18 0.99 0.00 0.00 0.00 175.30 176.22 2kl2 s THR 91 N 0.27 0.24 -0.05 4.11 2.01 0.52 -4.92 115.64 117.82 2kl2 s THR 91 Ca 0.57 -2.00 0.06 0.00 0.31 0.00 0.00 61.69 60.63 2kl2 s THR 91 Cb -0.35 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.65 2kl2 s THR 91 CO 0.36 0.00 -0.22 0.00 -0.69 0.00 0.00 174.62 174.07 2kl2 s ALA 92 N -3.59 2.30 0.32 7.40 0.00 -1.26 -1.31 121.76 125.62 2kl2 s ALA 92 Ca 0.36 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 51.32 2kl2 s ALA 92 Cb 0.04 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 2kl2 s ALA 92 CO 0.19 0.47 0.33 1.47 0.00 0.00 0.00 175.76 178.22 2kl2 n LEU 93 N 2.70 0.00 -4.32 0.00 -0.00 -0.95 -4.98 117.00 109.45 2kl2 n LEU 93 Ca -0.17 -2.95 -0.34 0.00 -0.00 0.00 0.00 56.01 52.55 2kl2 n LEU 93 Cb 0.52 1.84 -0.14 0.00 -0.00 0.00 0.00 43.42 45.64 2kl2 n LEU 93 CO 0.25 -0.54 -0.42 -1.58 -0.00 0.00 0.00 177.39 175.10 2kl2 s GLN 94 N -3.14 3.36 0.06 1.47 2.00 -1.26 -2.84 119.66 119.31 2kl2 s GLN 94 Ca 0.35 -0.66 0.09 0.00 -2.00 0.00 0.00 55.36 53.14 2kl2 s GLN 94 Cb 0.01 -2.84 -0.03 0.00 0.80 0.00 0.00 33.01 30.95 2kl2 s GLN 94 CO 0.25 -0.04 -0.23 0.08 -0.50 0.00 0.00 175.29 174.85 2kl2 s VAL 95 N 1.02 2.41 0.02 1.34 1.01 -0.37 -3.24 120.40 122.58 2kl2 s VAL 95 Ca -0.00 -1.39 -0.19 0.00 0.00 0.00 0.00 61.98 60.39 2kl2 s VAL 95 Cb -0.15 -2.00 -0.06 0.00 0.00 0.00 0.00 36.38 34.18 2kl2 s VAL 95 CO -0.01 0.30 0.56 -1.58 0.00 0.00 0.00 175.10 174.37 2kl2 s GLN 96 N -1.49 4.24 -0.83 2.72 0.74 -0.16 -0.83 119.66 124.05 2kl2 s GLN 96 Ca 0.13 0.68 -0.25 0.00 0.05 0.00 0.00 55.36 55.97 2kl2 s GLN 96 Cb -0.10 -3.30 0.02 0.00 1.10 0.00 0.00 33.01 30.73 2kl2 s GLN 96 CO 0.04 0.48 1.48 0.08 -0.55 0.00 0.00 175.29 176.82 2kl2 s VAL 97 N -0.55 3.71 0.24 1.34 1.01 0.29 -2.11 120.40 124.33 2kl2 s VAL 97 Ca 0.29 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.27 2kl2 s VAL 97 Cb -0.18 -4.74 -0.05 0.00 0.00 0.00 0.00 36.38 31.40 2kl2 s VAL 97 CO 0.17 -1.67 1.56 -0.07 0.00 0.00 0.00 175.10 175.09 2kl2 h LEU 98 N 13.90 0.12 -7.98 3.92 4.07 -1.18 -3.46 115.31 124.70 2kl2 h LEU 98 Ca -0.08 -0.08 -0.09 0.00 0.08 0.00 0.00 57.88 57.71 2kl2 h LEU 98 Cb 1.05 -0.04 -0.12 0.00 1.08 0.00 0.00 40.66 42.63 2kl2 h LEU 98 CO 1.31 0.74 -0.28 -0.70 -1.08 0.00 0.00 178.44 178.43 2kl2 s GLU 99 N -3.60 1.14 -0.03 1.13 2.12 -0.68 -4.93 118.70 113.84 2kl2 s GLU 99 Ca -0.02 -1.10 -0.01 0.00 0.36 0.00 0.00 54.97 54.20 2kl2 s GLU 99 Cb 0.12 0.39 0.03 0.00 0.26 0.00 0.00 34.13 34.93 2kl2 s GLU 99 CO 0.78 -0.42 0.04 -0.46 -0.54 0.00 0.00 175.26 174.67 2kl2 s TRP 100 N -3.94 0.06 -0.38 5.30 -0.11 -1.26 -3.05 118.94 115.56 2kl2 s TRP 100 Ca 0.14 0.19 -0.29 0.00 1.22 0.00 0.00 56.10 57.36 2kl2 s TRP 100 Cb 0.03 -0.38 0.02 0.00 -1.50 0.00 0.00 33.47 31.64 2kl2 s TRP 100 CO -0.02 -0.15 1.16 -1.21 -4.62 0.00 0.00 176.95 172.11 2kl2 s GLU 101 N 1.67 3.88 2.09 5.86 0.41 -1.26 -4.92 118.70 126.43 2kl2 s GLU 101 Ca -0.01 0.90 0.00 0.00 -0.41 0.00 0.00 54.97 55.44 2kl2 s GLU 101 Cb -0.12 -3.84 0.00 0.00 -1.78 0.00 0.00 34.13 28.38 2kl2 s GLU 101 CO -0.03 -1.17 0.00 0.41 -0.49 0.00 0.00 175.26 173.98 2kl2 n GLY 102 N 4.40 -0.16 3.74 -1.39 0.00 -1.26 -4.91 105.19 105.60 2kl2 n GLY 102 Ca 0.13 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 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 -4.00 4.01 -0.53 1.61 -1.08 -1.26 -4.61 116.67 110.81 2kl2 s ASP 103 Ca 0.00 1.93 -0.09 0.00 -0.52 0.00 0.00 52.55 53.87 2kl2 s ASP 103 Cb 0.00 -2.53 0.01 0.00 -1.46 0.00 0.00 42.92 38.94 2kl2 s ASP 103 CO 0.00 -2.37 0.61 0.61 0.52 0.00 0.00 175.17 174.55 2kl2 n GLY 104 N -0.79 -1.25 3.28 2.66 0.00 -1.26 -4.96 105.19 102.86 2kl2 n GLY 104 Ca 0.10 0.90 -0.44 0.00 0.00 0.00 0.00 46.02 46.58 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 -2.70 6.49 0.63 1.61 -1.08 -1.26 -4.96 116.67 115.39 2kl2 s ASP 105 Ca 0.14 -2.86 0.33 0.00 -0.52 0.00 0.00 52.55 49.65 2kl2 s ASP 105 Cb -0.04 -2.13 1.82 0.00 -1.46 0.00 0.00 42.92 41.12 2kl2 s ASP 105 CO 0.73 -0.49 2.09 1.55 0.52 0.00 0.00 175.17 179.57 2kl2 h PRO 106 N 7.45 0.00 0.00 4.34 0.13 -1.93 -3.48 132.00 138.51 2kl2 h PRO 106 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2kl2 h PRO 106 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2kl2 h PRO 106 CO 0.77 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.95 2kl2 n GLY 107 N -1.27 1.54 0.24 1.56 0.00 -1.26 -4.87 105.19 101.12 2kl2 n GLY 107 Ca -0.00 -2.19 0.16 0.00 0.00 0.00 0.00 46.02 43.99 2kl2 n GLY 107 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2kl2 h ASP 108 N 0.00 0.00 -3.83 1.61 3.58 -1.94 -3.42 116.42 112.42 2kl2 h ASP 108 Ca 0.00 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.10 2kl2 h ASP 108 Cb 0.00 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 40.90 2kl2 h ASP 108 CO 0.00 0.00 -0.72 -0.94 -2.88 0.00 0.00 179.24 174.70 2kl2 s SER 109 N -4.80 1.95 0.20 2.28 1.04 -1.26 -0.55 113.70 112.56 2kl2 s SER 109 Ca -0.01 -1.01 -0.03 0.00 0.48 0.00 0.00 55.95 55.38 2kl2 s SER 109 Cb 0.10 -0.04 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 2kl2 s SER 109 CO 0.38 -0.29 0.18 0.68 0.98 0.00 0.00 173.24 175.17 2kl2 s VAL 110 N -3.21 0.01 0.17 5.02 -7.23 -0.01 -4.87 120.40 110.28 2kl2 s VAL 110 Ca 0.17 -1.89 0.05 0.00 -1.81 0.00 0.00 61.98 58.50 2kl2 s VAL 110 Cb 0.02 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 2kl2 s VAL 110 CO 0.02 -0.04 0.19 -1.58 -0.31 0.00 0.00 175.10 173.38 2kl2 s GLN 111 N -4.13 3.05 0.16 4.82 0.74 -1.26 -1.24 119.66 121.80 2kl2 s GLN 111 Ca 0.35 -0.82 -0.17 0.00 0.05 0.00 0.00 55.36 54.76 2kl2 s GLN 111 Cb 0.06 -2.72 0.04 0.00 1.10 0.00 0.00 33.01 31.48 2kl2 s GLN 111 CO 0.11 0.48 0.47 0.00 -0.55 0.00 0.00 175.29 175.80 2kl2 s PHE 113 N -3.83 3.45 0.01 0.00 0.08 -1.13 -2.24 117.98 114.33 2kl2 s PHE 113 Ca 0.06 1.02 -0.05 0.00 0.12 0.00 0.00 56.93 58.07 2kl2 s PHE 113 Cb 0.00 -2.40 -0.01 0.00 -0.57 0.00 0.00 43.02 40.04 2kl2 s PHE 113 CO -0.08 0.00 0.08 0.08 -0.10 0.00 0.00 175.22 175.20 2kl2 s VAL 114 N -2.21 0.10 -0.55 -0.44 1.01 -0.43 -1.39 120.40 116.50 2kl2 s VAL 114 Ca 0.51 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 61.47 2kl2 s VAL 114 Cb -0.10 -0.46 0.08 0.00 0.00 0.00 0.00 36.38 35.90 2kl2 s VAL 114 CO 0.27 -0.45 0.65 -0.31 0.00 0.00 0.00 175.10 175.26 2kl2 s TYR 115 N -1.61 3.03 0.00 5.22 1.51 -1.26 -0.35 117.35 123.89 2kl2 s TYR 115 Ca -0.14 -0.77 0.00 0.00 -1.01 0.00 0.00 57.07 55.16 2kl2 s TYR 115 Cb -0.07 -3.76 0.00 0.00 -0.11 0.00 0.00 41.96 38.02 2kl2 s TYR 115 CO -0.00 -1.15 0.00 0.25 -1.11 0.00 0.00 175.55 173.54 2kl2 n THR 116 N 5.56 0.00 -4.12 -0.71 -2.24 -0.06 -4.67 114.28 108.04 2kl2 n THR 116 Ca -0.08 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.58 2kl2 n THR 116 Cb 0.44 -0.83 -0.11 0.00 -2.10 0.00 0.00 70.33 67.73 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 0.91 0.61 0.00 4.28 -1.32 -0.06 -0.41 115.64 119.65 2kl2 s THR 117 Ca 0.00 -1.59 0.00 0.00 -1.21 0.00 0.00 61.69 58.89 2kl2 s THR 117 Cb 0.00 -1.25 0.00 0.00 -1.51 0.00 0.00 72.50 69.74 2kl2 s THR 117 CO 0.00 -0.68 0.69 0.00 -2.21 0.00 0.00 174.62 172.41 2kl2 n ALA 118 N 0.56 1.94 -2.77 11.08 0.00 -1.26 -1.12 120.51 128.93 2kl2 n ALA 118 Ca -0.16 -0.69 -0.18 0.00 0.00 0.00 0.00 53.44 52.41 2kl2 n ALA 118 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.23 1.36 -1.76 0.00 5.66 -1.26 -5.03 114.28 113.03 2kl2 n THR 119 Ca 0.00 -4.20 -0.34 0.00 -3.05 0.00 0.00 64.05 56.46 2kl2 n THR 119 Cb 0.18 -0.30 0.05 0.00 -1.55 0.00 0.00 70.33 68.72 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 -3.12 2.45 0.56 1.09 -0.85 -1.26 -5.04 117.35 111.18 2kl2 s TYR 120 Ca 0.38 1.56 -0.20 0.00 -0.52 0.00 0.00 57.07 58.29 2kl2 s TYR 120 Cb 0.40 -3.29 -0.05 0.00 0.38 0.00 0.00 41.96 39.39 2kl2 s TYR 120 CO -0.07 -1.97 1.18 0.00 -1.52 0.00 0.00 175.55 173.18 2kl2 s ALA 121 N -2.10 2.66 0.29 9.51 0.00 -1.26 -4.96 121.76 125.91 2kl2 s ALA 121 Ca 0.71 0.95 0.01 0.00 0.00 0.00 0.00 51.96 53.62 2kl2 s ALA 121 Cb -0.24 -3.42 0.43 0.00 0.00 0.00 0.00 23.12 19.90 2kl2 s ALA 121 CO 0.40 -0.97 1.79 -1.00 0.00 0.00 0.00 175.76 175.98 2kl2 h PRO 122 N 1.16 0.66 -0.08 0.00 0.13 -2.04 -2.18 132.00 129.65 2kl2 h PRO 122 Ca -0.50 -0.17 0.02 0.00 -0.87 0.00 0.00 66.00 64.48 2kl2 h PRO 122 Cb 1.28 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kl2 h PRO 122 CO 0.56 0.70 0.12 1.05 -0.23 0.00 0.00 178.00 180.21 2kl2 h GLU 123 N 0.61 0.00 0.00 0.86 9.09 -2.03 -2.40 114.58 120.71 2kl2 h GLU 123 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.53 2kl2 h GLU 123 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.54 2kl2 h GLU 123 CO 0.02 0.00 0.00 -1.49 0.05 0.00 0.00 179.01 177.59 2kl2 h TRP 124 N 0.00 0.00 0.00 2.06 6.55 -1.77 -0.19 115.95 122.59 2kl2 h TRP 124 Ca 0.04 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.88 2kl2 h TRP 124 Cb 0.29 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.59 2kl2 h TRP 124 CO 0.00 0.00 0.00 1.28 -1.05 0.00 0.00 178.44 178.67 2kl2 n LEU 125 N -2.49 0.00 -0.00 -4.49 4.77 -0.91 -3.03 117.00 110.86 2kl2 n LEU 125 Ca -0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 2kl2 n LEU 125 Cb 0.15 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 2kl2 n LEU 125 CO 0.17 0.00 -0.11 0.49 -1.33 0.00 0.00 177.39 176.61 2kl2 n PHE 126 N -0.88 0.00 -2.16 -1.77 3.72 -0.08 -5.05 117.46 111.25 2kl2 n PHE 126 Ca 0.11 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.14 2kl2 n PHE 126 Cb 0.05 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 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 -2.54 3.96 0.59 4.37 2.01 -1.17 -4.99 118.68 120.91 2kl2 s LEU 127 Ca 0.02 2.39 -0.19 0.00 0.01 0.00 0.00 54.13 56.36 2kl2 s LEU 127 Cb 0.05 -4.27 -0.04 0.00 0.01 0.00 0.00 46.19 41.94 2kl2 s LEU 127 CO 0.30 -1.08 1.23 -2.16 1.01 0.00 0.00 176.35 175.65 2kl2 s PRO 128 N -2.79 2.99 0.30 1.29 0.04 -1.26 -4.91 135.00 130.66 2kl2 s PRO 128 Ca 0.66 1.90 -0.10 0.00 0.04 0.00 0.00 61.00 63.51 2kl2 s PRO 128 Cb -0.31 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.18 2kl2 s PRO 128 CO 0.37 -1.21 0.63 0.71 0.04 0.00 0.00 177.00 177.54 2kl2 s TYR 129 N -1.53 3.44 -0.06 0.56 2.02 -1.26 -4.42 117.35 116.11 2kl2 s TYR 129 Ca 0.77 0.91 0.05 0.00 -0.37 0.00 0.00 57.07 58.43 2kl2 s TYR 129 Cb -0.32 -2.31 -0.01 0.00 -0.40 0.00 0.00 41.96 38.92 2kl2 s TYR 129 CO 0.36 0.13 -0.22 -1.01 -1.57 0.00 0.00 175.55 173.23 2kl2 s HIS 130 N -2.03 2.21 -0.64 2.71 3.76 -1.03 -4.99 115.29 115.28 2kl2 s HIS 130 Ca 0.49 -0.67 0.25 0.00 -0.15 0.00 0.00 55.06 54.97 2kl2 s HIS 130 Cb -0.11 -1.46 0.55 0.00 1.11 0.00 0.00 32.58 32.67 2kl2 s HIS 130 CO 0.25 -0.21 1.56 1.49 -0.85 0.00 0.00 174.74 176.98 2kl2 h GLU 131 N 6.16 0.00 -1.79 1.40 4.81 -1.87 -3.42 114.58 119.87 2kl2 h GLU 131 Ca -0.31 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.93 2kl2 h GLU 131 Cb 1.18 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 30.34 2kl2 h GLU 131 CO 0.47 0.00 0.35 0.45 -0.73 0.00 0.00 179.01 179.55 2kl2 s SER 132 N -4.69 -0.54 0.32 1.04 0.15 -1.26 -1.90 113.70 106.82 2kl2 s SER 132 Ca 0.08 0.71 -0.12 0.00 0.70 0.00 0.00 55.95 57.32 2kl2 s SER 132 Cb 0.12 0.60 -0.08 0.00 -1.71 0.00 0.00 66.02 64.95 2kl2 s SER 132 CO 0.66 -0.41 0.69 -0.47 1.20 0.00 0.00 173.24 174.91 2kl2 s TYR 133 N -0.80 3.41 0.15 3.44 5.04 -1.26 -5.03 117.35 122.31 2kl2 s TYR 133 Ca -0.05 1.07 -0.15 0.00 -2.44 0.00 0.00 57.07 55.50 2kl2 s TYR 133 Cb -0.01 -2.43 0.03 0.00 0.35 0.00 0.00 41.96 39.89 2kl2 s TYR 133 CO 0.04 0.09 0.42 0.16 -1.34 0.00 0.00 175.55 174.92 2kl2 s ASP 134 N -2.53 -0.20 0.00 4.32 -4.77 -1.26 -4.80 116.67 107.43 2kl2 s ASP 134 Ca 0.51 -0.45 0.26 0.00 -3.30 0.00 0.00 52.55 49.57 2kl2 s ASP 134 Cb -0.10 0.50 0.70 0.00 -1.09 0.00 0.00 42.92 42.92 2kl2 s ASP 134 CO 0.22 -0.92 1.54 -1.54 0.70 0.00 0.00 175.17 175.17 2kl2 n SER 135 N -0.26 2.14 -0.79 2.11 3.41 -1.26 -4.42 113.62 114.55 2kl2 n SER 135 Ca -0.13 -1.72 0.01 0.00 -0.26 0.00 0.00 58.87 56.77 2kl2 n SER 135 Cb 0.63 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 2kl2 n SER 135 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2kl2 n GLU 136 N 0.66 0.00 -2.75 4.33 1.02 -1.26 -4.96 120.64 117.68 2kl2 n GLU 136 Ca 0.17 -1.16 -0.22 0.00 -0.02 0.00 0.00 57.16 55.93 2kl2 n GLU 136 Cb 0.45 -0.27 0.09 0.00 -0.02 0.00 0.00 31.44 31.69 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 -1.16 1.76 0.52 0.62 0.00 -1.26 -4.99 107.32 102.81 2kl2 s GLY 137 Ca 0.09 -1.87 0.27 0.00 0.00 0.00 0.00 44.72 43.21 2kl2 s GLY 137 CO -0.04 -1.35 2.07 -0.56 0.00 0.00 0.00 173.10 173.22 2kl2 h PRO 138 N -0.26 0.00 -5.64 2.90 0.13 -2.00 -3.36 132.00 123.77 2kl2 h PRO 138 Ca -0.34 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.32 2kl2 h PRO 138 Cb 1.27 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.35 2kl2 h PRO 138 CO 0.41 0.12 1.48 -1.01 -0.23 0.00 0.00 178.00 178.76 2kl2 s HIS 139 N -4.22 2.26 0.31 1.56 3.76 -1.26 -4.80 115.29 112.90 2kl2 s HIS 139 Ca -0.03 -0.32 0.34 0.00 -0.15 0.00 0.00 55.06 54.90 2kl2 s HIS 139 Cb 0.13 -4.30 1.85 0.00 1.11 0.00 0.00 32.58 31.37 2kl2 s HIS 139 CO 0.59 -1.47 2.04 0.78 -0.85 0.00 0.00 174.74 175.82 2kl2 h GLY 140 N 15.73 0.00 -6.85 -2.22 0.00 -1.99 -3.35 103.07 104.40 2kl2 h GLY 140 Ca 0.29 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 47.10 2kl2 h GLY 140 CO 1.32 0.00 1.65 1.47 0.00 0.00 0.00 176.54 180.97 2kl2 n LEU 141 N -2.71 2.90 -4.99 3.11 -0.00 -1.26 -4.94 117.00 109.10 2kl2 n LEU 141 Ca -0.02 -2.57 -0.19 0.00 -0.00 0.00 0.00 56.01 53.23 2kl2 n LEU 141 Cb 0.08 -1.13 -0.00 0.00 -0.00 0.00 0.00 43.42 42.37 2kl2 n LEU 141 CO 0.15 -1.32 0.09 -0.13 -0.00 0.00 0.00 177.39 176.18 2kl2 s ARG 142 N 6.07 3.06 0.43 1.47 0.52 -1.26 -4.89 118.95 124.35 2kl2 s ARG 142 Ca 0.64 -1.01 -0.26 0.00 -0.52 0.00 0.00 55.73 54.58 2kl2 s ARG 142 Cb 0.10 -2.79 -0.09 0.00 0.52 0.00 0.00 34.95 32.69 2kl2 s ARG 142 CO 0.19 -0.02 1.40 0.98 0.02 0.00 0.00 175.30 177.86 2kl2 n TYR 143 N -1.71 2.60 -3.86 -0.53 9.36 -1.25 -4.56 117.16 117.21 2kl2 n TYR 143 Ca 0.01 0.46 -0.29 0.00 3.32 0.00 0.00 57.90 61.41 2kl2 n TYR 143 Cb 0.58 -2.45 -0.13 0.00 -0.63 0.00 0.00 39.34 36.71 2kl2 n TYR 143 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 2kl2 s ASN 144 N -0.42 4.31 -0.09 2.98 0.01 -0.84 -4.96 114.94 115.93 2kl2 s ASN 144 Ca 0.59 -3.40 -0.17 0.00 -0.71 0.00 0.00 52.86 49.18 2kl2 s ASN 144 Cb -0.47 -1.49 -0.13 0.00 0.41 0.00 0.00 41.25 39.56 2kl2 s ASN 144 CO 0.59 -0.16 0.58 1.55 -1.51 0.00 0.00 177.10 178.16 2kl2 h PRO 145 N 5.91 -0.12 0.00 -0.60 0.13 -1.93 -3.47 132.00 131.92 2kl2 h PRO 145 Ca 0.06 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2kl2 h PRO 145 Cb 0.83 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2kl2 h PRO 145 CO 0.66 0.30 0.00 -2.13 -0.23 0.00 0.00 178.00 176.60 2kl2 n ARG 146 N -4.82 0.00 -1.88 0.86 0.63 -1.26 -5.04 116.66 105.15 2kl2 n ARG 146 Ca -0.06 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.65 2kl2 n ARG 146 Cb 0.24 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.09 2kl2 n ARG 146 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2kl2 s GLU 147 N 0.00 2.20 -0.65 -0.14 -1.05 -1.26 -0.82 118.70 116.98 2kl2 s GLU 147 Ca 0.00 -0.09 -0.10 0.00 -0.15 0.00 0.00 54.97 54.64 2kl2 s GLU 147 Cb 0.00 -4.98 0.01 0.00 -0.44 0.00 0.00 34.13 28.72 2kl2 s GLU 147 CO 0.00 -3.83 0.65 0.09 0.95 0.00 0.00 175.26 173.12 2kl2 n ASN 148 N 15.72 -6.78 0.00 0.83 3.02 -1.26 -5.20 115.26 121.59 2kl2 n ASN 148 Ca 0.43 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 2kl2 n ASN 148 Cb 0.46 -3.90 0.00 0.00 -0.61 0.00 0.00 39.78 35.72 2kl2 n ASN 148 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50