#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 1.40 -0.09 -5.12 0.00 -0.36 -4.99 121.76 112.60 2kl2 s ALA 2 Ca 0.00 -1.77 0.04 0.00 0.00 0.00 0.00 51.96 50.23 2kl2 s ALA 2 Cb 0.00 1.31 -0.00 0.00 0.00 0.00 0.00 23.12 24.43 2kl2 s ALA 2 CO 0.00 -0.57 -0.24 -1.01 0.00 0.00 0.00 175.76 173.95 2kl2 s HIS 3 N -3.98 2.55 0.47 0.00 0.09 -1.26 -1.14 115.29 112.02 2kl2 s HIS 3 Ca 0.39 -0.95 0.02 0.00 -0.00 0.00 0.00 55.06 54.52 2kl2 s HIS 3 Cb 0.07 -1.69 -0.02 0.00 -0.00 0.00 0.00 32.58 30.93 2kl2 s HIS 3 CO 0.14 -0.36 0.04 0.96 -0.00 0.00 0.00 174.74 175.53 2kl2 s ILE 4 N 0.22 1.04 -0.05 0.60 -4.36 -0.79 -2.08 121.20 115.78 2kl2 s ILE 4 Ca -0.15 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.26 2kl2 s ILE 4 Cb -0.17 -2.29 0.02 0.00 1.25 0.00 0.00 42.46 41.26 2kl2 s ILE 4 CO 0.08 0.00 -0.08 0.12 0.24 0.00 0.00 174.94 175.30 2kl2 s PHE 5 N -2.98 1.05 -0.11 1.37 5.36 -0.81 -3.52 117.98 118.35 2kl2 s PHE 5 Ca 0.14 -0.35 -0.12 0.00 -0.96 0.00 0.00 56.93 55.65 2kl2 s PHE 5 Cb 0.03 -0.83 -0.05 0.00 -0.34 0.00 0.00 43.02 41.83 2kl2 s PHE 5 CO 0.08 -0.22 0.27 0.54 -1.46 0.00 0.00 175.22 174.43 2kl2 s VAL 6 N 0.76 5.29 0.00 3.12 0.11 -0.15 -4.75 120.40 124.79 2kl2 s VAL 6 Ca -0.13 0.51 0.00 0.00 -2.93 0.00 0.00 61.98 59.43 2kl2 s VAL 6 Cb -0.15 -3.58 0.00 0.00 -1.53 0.00 0.00 36.38 31.12 2kl2 s VAL 6 CO 0.02 0.51 0.22 0.00 -3.33 0.00 0.00 175.10 172.52 2kl2 n TYR 7 N 2.62 0.00 0.00 1.54 4.11 -1.26 -2.46 117.16 121.71 2kl2 n TYR 7 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.75 2kl2 n TYR 7 Cb 0.53 -0.10 0.00 0.00 -0.00 0.00 0.00 39.34 39.77 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 1.32 0.05 0.15 -7.48 0.00 -1.26 -4.37 105.19 93.61 2kl2 n GLY 8 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.00 2.61 1.35 -1.92 -0.70 112.91 114.24 2kl2 h THR 9 Ca 0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 2kl2 h THR 9 Cb 0.00 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 2kl2 h THR 9 CO 0.00 0.00 -0.06 0.18 -0.25 0.00 0.00 175.52 175.39 2kl2 n LEU 10 N -2.52 1.49 0.00 3.87 7.99 -1.26 -2.96 117.00 123.61 2kl2 n LEU 10 Ca 0.04 -1.83 0.00 0.00 -0.01 0.00 0.00 56.01 54.21 2kl2 n LEU 10 Cb 0.40 -0.12 0.00 0.00 -0.11 0.00 0.00 43.42 43.59 2kl2 n LEU 10 CO 0.29 0.44 0.00 1.17 -1.51 0.00 0.00 177.39 177.78 2kl2 n LYS 11 N -0.62 0.00 0.46 3.23 4.81 -0.28 -4.91 118.16 120.85 2kl2 n LYS 11 Ca 0.05 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.30 2kl2 n LYS 11 Cb 0.46 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.43 2kl2 n LYS 11 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2kl2 h ARG 12 N 0.00 -1.15 0.00 1.64 9.65 -1.89 -3.43 114.38 119.20 2kl2 h ARG 12 Ca 0.00 0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 2kl2 h ARG 12 Cb 0.00 0.26 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 2kl2 h ARG 12 CO 0.00 -0.76 0.00 0.41 2.80 0.00 0.00 179.97 182.42 2kl2 n GLY 13 N -1.26 -1.88 3.50 2.80 0.00 -1.26 -5.14 105.19 101.94 2kl2 n GLY 13 Ca -0.15 0.86 -0.27 0.00 0.00 0.00 0.00 46.02 46.46 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 1.79 0.34 1.61 1.11 -1.26 -4.71 119.66 118.54 2kl2 s GLN 14 Ca 0.00 -1.42 0.04 0.00 0.01 0.00 0.00 55.36 53.98 2kl2 s GLN 14 Cb 0.00 -1.99 0.66 0.00 -1.01 0.00 0.00 33.01 30.67 2kl2 s GLN 14 CO 0.00 0.41 1.95 -1.00 0.01 0.00 0.00 175.29 176.66 2kl2 h PRO 15 N 2.97 0.84 0.00 2.91 0.13 -1.97 -2.29 132.00 134.59 2kl2 h PRO 15 Ca -0.46 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 2kl2 h PRO 15 Cb 1.21 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 2kl2 h PRO 15 CO 0.52 0.55 -0.10 -0.91 -0.23 0.00 0.00 178.00 177.83 2kl2 h ASN 16 N 0.86 0.00 -0.89 1.44 2.35 -1.97 -3.27 115.58 114.10 2kl2 h ASN 16 Ca 0.33 0.00 0.20 0.00 -0.55 0.00 0.00 56.30 56.28 2kl2 h ASN 16 Cb 0.21 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.51 2kl2 h ASN 16 CO -0.11 0.10 0.59 -0.74 -1.65 0.00 0.00 177.43 175.62 2kl2 h HIS 17 N 0.00 0.52 -0.37 1.19 2.76 -1.29 -2.18 115.15 115.78 2kl2 h HIS 17 Ca -0.00 0.02 0.11 0.00 -2.20 0.00 0.00 60.37 58.29 2kl2 h HIS 17 Cb 0.28 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 2kl2 h HIS 17 CO 0.00 0.14 0.39 1.57 -1.30 0.00 0.00 177.93 178.73 2kl2 h LYS 18 N 0.40 0.00 -0.22 5.26 5.09 -1.82 -2.53 116.57 122.75 2kl2 h LYS 18 Ca 0.46 0.00 0.03 0.00 0.09 0.00 0.00 60.65 61.23 2kl2 h LYS 18 Cb 1.16 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.46 2kl2 h LYS 18 CO -0.17 0.00 0.04 -0.39 -2.09 0.00 0.00 179.45 176.84 2kl2 h VAL 19 N 0.00 0.90 0.00 0.07 -1.51 -1.70 -2.08 116.25 111.93 2kl2 h VAL 19 Ca 0.17 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.60 2kl2 h VAL 19 Cb 0.95 0.76 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 2kl2 h VAL 19 CO -0.00 0.02 0.00 1.15 -1.23 0.00 0.00 177.57 177.51 2kl2 n MET 20 N -5.09 0.96 -0.12 5.19 0.00 -0.95 -3.07 117.12 114.04 2kl2 n MET 20 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 57.70 57.80 2kl2 n MET 20 Cb 0.10 -1.14 0.18 0.00 0.00 0.00 0.00 33.22 32.36 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 -0.64 3.26 -3.79 3.17 4.77 -0.78 -4.71 117.00 118.29 2kl2 n LEU 21 Ca 0.06 -1.30 -0.29 0.00 -0.03 0.00 0.00 56.01 54.46 2kl2 n LEU 21 Cb 0.03 -0.16 -0.16 0.00 -2.33 0.00 0.00 43.42 40.80 2kl2 n LEU 21 CO 0.05 0.65 -0.38 -1.81 -1.33 0.00 0.00 177.39 174.57 2kl2 s ASP 22 N -1.68 3.25 0.61 -1.43 1.01 -1.17 -5.02 116.67 112.23 2kl2 s ASP 22 Ca 0.35 -0.98 0.29 0.00 0.71 0.00 0.00 52.55 52.93 2kl2 s ASP 22 Cb 0.22 -0.77 1.60 0.00 1.01 0.00 0.00 42.92 44.97 2kl2 s ASP 22 CO 0.31 -0.30 1.98 -0.74 0.21 0.00 0.00 175.17 176.64 2kl2 h HIS 23 N 8.15 0.00 0.00 4.23 -0.00 -1.85 -0.52 115.15 125.17 2kl2 h HIS 23 Ca -0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.19 2kl2 h HIS 23 Cb 1.10 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.51 2kl2 h HIS 23 CO 0.35 0.00 -0.07 0.77 -0.00 0.00 0.00 177.93 178.98 2kl2 h SER 24 N 0.00 0.00 0.52 3.26 0.02 -1.95 0.13 113.55 115.53 2kl2 h SER 24 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2kl2 h SER 24 Cb 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2kl2 h SER 24 CO -0.00 0.07 -0.18 1.41 -1.14 0.00 0.00 176.83 176.99 2kl2 n HIS 25 N -3.28 0.00 0.00 3.45 8.25 -0.20 -5.03 115.22 118.41 2kl2 n HIS 25 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2kl2 n HIS 25 Cb 0.26 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2kl2 n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kl2 n GLY 26 N 1.38 3.09 3.75 -1.41 0.00 0.45 -3.67 105.19 108.78 2kl2 n GLY 26 Ca 0.11 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 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 4.56 0.01 0.99 1.98 -1.26 -4.21 118.68 120.74 2kl2 s LEU 27 Ca 0.00 1.71 0.03 0.00 -2.89 0.00 0.00 54.13 52.98 2kl2 s LEU 27 Cb 0.00 -3.42 -0.01 0.00 0.66 0.00 0.00 46.19 43.42 2kl2 s LEU 27 CO 0.00 0.10 -0.09 0.00 -1.89 0.00 0.00 176.35 174.47 2kl2 s ALA 28 N -0.68 0.72 -0.02 5.97 0.00 -1.26 -3.21 121.76 123.29 2kl2 s ALA 28 Ca 0.40 -0.46 -0.02 0.00 0.00 0.00 0.00 51.96 51.88 2kl2 s ALA 28 Cb -0.23 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.74 2kl2 s ALA 28 CO 0.28 0.15 0.04 0.00 0.00 0.00 0.00 175.76 176.23 2kl2 s ALA 29 N -0.42 -0.11 -0.74 0.00 0.00 -0.69 -4.99 121.76 114.82 2kl2 s ALA 29 Ca 0.01 0.09 -0.26 0.00 0.00 0.00 0.00 51.96 51.81 2kl2 s ALA 29 Cb -0.05 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 2kl2 s ALA 29 CO -0.00 -0.03 2.05 0.12 0.00 0.00 0.00 175.76 177.89 2kl2 s PHE 30 N -0.08 1.56 -0.91 0.00 5.36 -1.26 -1.25 117.98 121.40 2kl2 s PHE 30 Ca -0.01 1.01 -0.02 0.00 -0.96 0.00 0.00 56.93 56.95 2kl2 s PHE 30 Cb -0.01 -3.91 0.34 0.00 -0.34 0.00 0.00 43.02 39.10 2kl2 s PHE 30 CO 0.00 -2.01 1.95 -2.13 -1.46 0.00 0.00 175.22 171.57 2kl2 n ARG 31 N 8.98 3.73 0.00 10.12 3.00 0.31 -4.82 116.66 137.99 2kl2 n ARG 31 Ca 0.34 -3.94 0.00 0.00 -0.00 0.00 0.00 57.85 54.25 2kl2 n ARG 31 Cb 0.49 -2.34 0.00 0.00 0.00 0.00 0.00 32.46 30.61 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 -0.37 -1.99 3.33 5.14 0.00 -1.24 -4.35 105.19 105.72 2kl2 n GLY 32 Ca 0.51 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 1.48 0.02 1.61 1.70 -0.48 -2.23 118.95 121.04 2kl2 s ARG 33 Ca 0.00 -1.65 -0.27 0.00 -0.47 0.00 0.00 55.73 53.34 2kl2 s ARG 33 Cb 0.00 0.34 0.09 0.00 -0.57 0.00 0.00 34.95 34.81 2kl2 s ARG 33 CO 0.00 -0.55 1.23 0.41 -1.08 0.00 0.00 175.30 175.31 2kl2 n GLY 34 N -0.40 0.29 3.10 3.88 0.00 -1.04 -0.11 105.19 110.92 2kl2 n GLY 34 Ca 0.02 -1.07 -0.07 0.00 0.00 0.00 0.00 46.02 44.90 2kl2 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kl2 s THR 36 N -3.93 3.96 0.49 0.00 -4.23 0.05 0.03 115.64 112.01 2kl2 s THR 36 Ca 0.08 -0.40 0.25 0.00 -1.18 0.00 0.00 61.69 60.44 2kl2 s THR 36 Cb 0.08 -4.96 0.29 0.00 1.34 0.00 0.00 72.50 69.25 2kl2 s THR 36 CO -0.09 -1.83 2.12 -0.37 -0.54 0.00 0.00 174.62 173.91 2kl2 h VAL 37 N 6.38 0.70 -2.55 2.29 -1.51 -1.89 -3.34 116.25 116.33 2kl2 h VAL 37 Ca -0.01 -0.33 -0.56 0.00 -1.23 0.00 0.00 66.70 64.57 2kl2 h VAL 37 Cb 1.03 1.20 -0.01 0.00 -2.13 0.00 0.00 31.29 31.38 2kl2 h VAL 37 CO 1.33 0.08 1.18 -0.70 -1.23 0.00 0.00 177.57 178.23 2kl2 s GLU 38 N -4.50 3.91 -0.13 5.19 2.12 -1.26 -4.89 118.70 119.13 2kl2 s GLU 38 Ca -0.04 2.06 -0.29 0.00 0.36 0.00 0.00 54.97 57.05 2kl2 s GLU 38 Cb 0.15 -4.08 -0.03 0.00 0.26 0.00 0.00 34.13 30.43 2kl2 s GLU 38 CO 0.60 -1.18 1.37 -1.12 -0.54 0.00 0.00 175.26 174.39 2kl2 s SER 39 N 4.45 6.87 0.27 -1.70 0.01 -1.26 -4.65 113.70 117.69 2kl2 s SER 39 Ca 0.79 1.84 0.09 0.00 1.31 0.00 0.00 55.95 59.98 2kl2 s SER 39 Cb -0.32 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.32 2kl2 s SER 39 CO 0.32 -0.80 -0.13 -0.36 0.41 0.00 0.00 173.24 172.68 2kl2 s PHE 40 N 3.63 2.08 -0.89 2.43 0.08 -0.31 -0.45 117.98 124.54 2kl2 s PHE 40 Ca 0.60 -0.51 -0.25 0.00 0.12 0.00 0.00 56.93 56.89 2kl2 s PHE 40 Cb -0.25 -1.04 0.04 0.00 -0.57 0.00 0.00 43.02 41.20 2kl2 s PHE 40 CO 0.19 0.50 1.40 -1.25 -0.10 0.00 0.00 175.22 175.95 2kl2 s PRO 41 N -3.61 3.38 -0.41 0.24 0.04 -0.58 -1.75 135.00 132.30 2kl2 s PRO 41 Ca 0.28 -0.71 -0.22 0.00 0.04 0.00 0.00 61.00 60.39 2kl2 s PRO 41 Cb -0.00 -4.85 0.02 0.00 0.04 0.00 0.00 34.50 29.71 2kl2 s PRO 41 CO 0.12 -2.22 0.74 -1.17 0.04 0.00 0.00 177.00 174.51 2kl2 s LEU 42 N 5.48 4.26 0.05 -3.56 2.96 -1.26 -2.70 118.68 123.91 2kl2 s LEU 42 Ca 0.42 0.00 0.07 0.00 -0.22 0.00 0.00 54.13 54.40 2kl2 s LEU 42 Cb -0.04 -2.91 -0.03 0.00 0.50 0.00 0.00 46.19 43.71 2kl2 s LEU 42 CO 0.01 -0.80 -0.20 0.68 -1.32 0.00 0.00 176.35 174.72 2kl2 s VAL 43 N 3.09 1.58 -0.26 1.68 -7.23 -0.92 -2.90 120.40 115.44 2kl2 s VAL 43 Ca 0.28 -1.21 -0.12 0.00 -1.81 0.00 0.00 61.98 59.12 2kl2 s VAL 43 Cb -0.13 -1.39 -0.05 0.00 0.56 0.00 0.00 36.38 35.37 2kl2 s VAL 43 CO 0.20 0.14 0.23 -0.63 -0.31 0.00 0.00 175.10 174.72 2kl2 s ILE 44 N -0.86 5.29 0.08 -0.62 1.01 -1.26 -0.86 121.20 123.99 2kl2 s ILE 44 Ca 0.06 0.28 0.02 0.00 0.00 0.00 0.00 60.65 61.01 2kl2 s ILE 44 Cb -0.09 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 2kl2 s ILE 44 CO 0.02 0.26 0.06 0.00 0.00 0.00 0.00 174.94 175.29 2kl2 n ALA 45 N 4.82 0.16 -0.64 9.38 0.00 -1.14 -4.92 120.51 128.17 2kl2 n ALA 45 Ca -0.13 -0.44 0.04 0.00 0.00 0.00 0.00 53.44 52.91 2kl2 n ALA 45 Cb 0.52 0.35 -0.02 0.00 0.00 0.00 0.00 19.45 20.30 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 -0.09 -3.13 0.00 0.00 0.00 -1.26 -0.51 105.19 100.20 2kl2 n GLY 46 Ca 0.02 -1.20 0.14 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.56 0.37 -0.23 1.61 4.07 -1.26 -2.30 120.64 120.34 2kl2 n GLU 47 Ca -0.02 0.01 0.08 0.00 -0.06 0.00 0.00 57.16 57.16 2kl2 n GLU 47 Cb 0.26 -1.50 0.21 0.00 -0.06 0.00 0.00 31.44 30.34 2kl2 n GLU 47 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2kl2 n HIS 48 N -1.31 0.61 -2.91 4.31 8.25 -1.26 -5.00 115.22 117.92 2kl2 n HIS 48 Ca 0.13 -0.47 -0.11 0.00 -0.26 0.00 0.00 57.72 57.02 2kl2 n HIS 48 Cb 0.25 -0.02 0.05 0.00 1.12 0.00 0.00 29.99 31.39 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 0.93 -5.90 -4.18 0.41 4.13 -0.97 -2.39 115.26 107.29 2kl2 n ASN 49 Ca 0.16 -0.52 -0.40 0.00 1.68 0.00 0.00 54.58 55.50 2kl2 n ASN 49 Cb 0.49 -4.36 -0.06 0.00 -1.54 0.00 0.00 39.78 34.31 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 -3.28 4.52 0.77 2.41 1.01 0.33 -4.21 121.20 122.76 2kl2 s ILE 50 Ca 0.33 -3.05 -0.13 0.00 0.00 0.00 0.00 60.65 57.80 2kl2 s ILE 50 Cb -0.04 -3.84 0.06 0.00 0.01 0.00 0.00 42.46 38.65 2kl2 s ILE 50 CO 0.60 -0.98 1.15 -2.16 0.00 0.00 0.00 174.94 173.55 2kl2 s PRO 51 N -0.35 1.99 0.06 2.79 0.04 -1.26 -2.88 135.00 135.39 2kl2 s PRO 51 Ca 0.20 1.53 0.04 0.00 0.04 0.00 0.00 61.00 62.82 2kl2 s PRO 51 Cb -0.14 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2kl2 s PRO 51 CO -0.07 -1.90 -0.12 -1.58 0.04 0.00 0.00 177.00 173.36 2kl2 s TRP 52 N -2.39 1.06 -0.44 0.56 0.52 -0.04 -4.88 118.94 113.34 2kl2 s TRP 52 Ca 0.69 -0.48 -0.09 0.00 0.02 0.00 0.00 56.10 56.25 2kl2 s TRP 52 Cb -0.24 -0.60 0.10 0.00 -1.15 0.00 0.00 33.47 31.58 2kl2 s TRP 52 CO 0.50 0.02 0.30 -1.17 0.02 0.00 0.00 176.95 176.61 2kl2 s LEU 53 N -1.71 5.43 0.40 2.99 2.96 -1.26 -2.16 118.68 125.32 2kl2 s LEU 53 Ca -0.04 -1.76 -0.24 0.00 -0.22 0.00 0.00 54.13 51.87 2kl2 s LEU 53 Cb -0.10 -1.98 -0.09 0.00 0.50 0.00 0.00 46.19 44.52 2kl2 s LEU 53 CO 0.02 -0.62 1.07 -0.76 -1.32 0.00 0.00 176.35 174.74 2kl2 s LEU 54 N 1.37 4.15 -1.13 -0.68 1.43 -1.10 -1.73 118.68 120.99 2kl2 s LEU 54 Ca 0.05 2.09 -0.20 0.00 -1.03 0.00 0.00 54.13 55.04 2kl2 s LEU 54 Cb -0.25 -4.16 0.07 0.00 0.03 0.00 0.00 46.19 41.89 2kl2 s LEU 54 CO 0.00 -0.53 1.52 -0.47 0.23 0.00 0.00 176.35 177.11 2kl2 s TYR 55 N -1.61 2.75 -0.40 0.29 5.04 -0.27 -4.31 117.35 118.83 2kl2 s TYR 55 Ca 0.58 -1.28 0.02 0.00 -2.44 0.00 0.00 57.07 53.95 2kl2 s TYR 55 Cb -0.24 -4.65 0.15 0.00 0.35 0.00 0.00 41.96 37.57 2kl2 s TYR 55 CO 0.29 -1.81 0.27 -1.17 -1.34 0.00 0.00 175.55 171.79 2kl2 s LEU 56 N 4.24 1.60 0.28 6.97 1.98 -1.26 -4.96 118.68 127.52 2kl2 s LEU 56 Ca 0.47 -2.61 -0.30 0.00 -2.89 0.00 0.00 54.13 48.80 2kl2 s LEU 56 Cb 0.01 -0.58 -0.12 0.00 0.66 0.00 0.00 46.19 46.16 2kl2 s LEU 56 CO -0.03 -0.25 1.64 -2.16 -1.89 0.00 0.00 176.35 173.66 2kl2 s PRO 57 N 0.51 4.11 -0.60 0.98 0.04 -1.26 -2.63 135.00 136.15 2kl2 s PRO 57 Ca 0.23 2.61 0.00 0.00 0.04 0.00 0.00 61.00 63.88 2kl2 s PRO 57 Cb -0.14 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.37 2kl2 s PRO 57 CO -0.06 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.71 2kl2 n GLY 58 N 2.57 0.80 3.18 0.56 0.00 0.40 -4.95 105.19 107.76 2kl2 n GLY 58 Ca 0.10 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.14 3.09 0.00 1.61 2.47 -0.53 -4.89 119.74 119.36 2kl2 s LYS 59 Ca 0.00 -0.79 0.00 0.00 -1.56 0.00 0.00 55.97 53.62 2kl2 s LYS 59 Cb 0.00 -2.63 0.00 0.00 -1.46 0.00 0.00 37.83 33.74 2kl2 s LYS 59 CO 0.00 -0.15 0.00 0.41 0.16 0.00 0.00 175.35 175.77 2kl2 n GLY 60 N 4.49 0.61 3.50 5.54 0.00 -1.26 -1.53 105.19 116.54 2kl2 n GLY 60 Ca -0.20 -1.72 -0.23 0.00 0.00 0.00 0.00 46.02 43.87 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 2.01 -0.54 1.61 3.76 -0.72 -4.64 115.29 116.77 2kl2 s HIS 61 Ca 0.00 -0.96 -0.23 0.00 -0.15 0.00 0.00 55.06 53.72 2kl2 s HIS 61 Cb 0.00 -1.35 0.05 0.00 1.11 0.00 0.00 32.58 32.39 2kl2 s HIS 61 CO 0.00 0.04 0.87 0.00 -0.85 0.00 0.00 174.74 174.80 2kl2 s VAL 63 N 3.65 4.00 0.67 0.00 1.01 -1.25 -4.66 120.40 123.82 2kl2 s VAL 63 Ca 0.27 1.17 -0.14 0.00 0.00 0.00 0.00 61.98 63.28 2kl2 s VAL 63 Cb -0.14 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.34 2kl2 s VAL 63 CO 0.17 -0.27 1.09 0.42 0.00 0.00 0.00 175.10 176.52 2kl2 s THR 64 N 4.26 3.40 -2.19 3.92 -4.23 -0.16 -0.77 115.64 119.87 2kl2 s THR 64 Ca 0.62 0.60 0.00 0.00 -1.18 0.00 0.00 61.69 61.72 2kl2 s THR 64 Cb -0.22 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.49 2kl2 s THR 64 CO 0.23 -0.46 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 2kl2 n GLY 65 N -0.83 -0.54 3.16 3.99 0.00 -0.39 -4.71 105.19 105.87 2kl2 n GLY 65 Ca 0.10 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.88 0.83 -0.24 1.61 2.12 -1.03 -2.48 118.70 118.64 2kl2 s GLU 66 Ca 0.00 -1.35 0.02 0.00 0.36 0.00 0.00 54.97 54.00 2kl2 s GLU 66 Cb 0.00 -0.04 0.05 0.00 0.26 0.00 0.00 34.13 34.40 2kl2 s GLU 66 CO 0.00 -0.10 -0.12 0.42 -0.54 0.00 0.00 175.26 174.92 2kl2 s ILE 67 N -3.77 2.09 -0.19 -3.70 1.01 -0.95 -0.98 121.20 114.72 2kl2 s ILE 67 Ca 0.14 -1.47 -0.08 0.00 0.00 0.00 0.00 60.65 59.24 2kl2 s ILE 67 Cb 0.06 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 2kl2 s ILE 67 CO -0.04 0.07 0.08 -0.31 0.00 0.00 0.00 174.94 174.74 2kl2 s TYR 68 N 1.16 3.29 0.37 3.97 2.02 -1.23 -0.53 117.35 126.41 2kl2 s TYR 68 Ca -0.06 0.14 -0.27 0.00 -0.37 0.00 0.00 57.07 56.50 2kl2 s TYR 68 Cb -0.19 -2.10 -0.09 0.00 -0.40 0.00 0.00 41.96 39.18 2kl2 s TYR 68 CO -0.07 0.19 1.27 -2.00 -1.57 0.00 0.00 175.55 173.37 2kl2 s GLU 69 N 0.38 4.18 0.05 -0.62 2.12 -0.38 -1.88 118.70 122.54 2kl2 s GLU 69 Ca 0.04 2.11 0.01 0.00 0.36 0.00 0.00 54.97 57.49 2kl2 s GLU 69 Cb -0.12 -2.90 -0.03 0.00 0.26 0.00 0.00 34.13 31.35 2kl2 s GLU 69 CO -0.00 -0.30 -0.06 0.14 -0.54 0.00 0.00 175.26 174.50 2kl2 s VAL 70 N -1.23 0.43 0.77 3.70 -7.23 -0.29 -1.70 120.40 114.85 2kl2 s VAL 70 Ca 0.53 -1.32 -0.07 0.00 -1.81 0.00 0.00 61.98 59.31 2kl2 s VAL 70 Cb -0.37 -0.88 0.11 0.00 0.56 0.00 0.00 36.38 35.80 2kl2 s VAL 70 CO 0.48 -0.59 1.08 1.51 -0.31 0.00 0.00 175.10 177.27 2kl2 s ASP 71 N -2.04 4.27 0.49 4.85 -4.77 -1.20 -0.94 116.67 117.34 2kl2 s ASP 71 Ca -0.04 0.19 0.15 0.00 -3.30 0.00 0.00 52.55 49.54 2kl2 s ASP 71 Cb -0.04 -0.62 1.16 0.00 -1.09 0.00 0.00 42.92 42.33 2kl2 s ASP 71 CO -0.02 -1.94 2.10 -0.33 0.70 0.00 0.00 175.17 175.67 2kl2 h GLU 72 N -0.83 0.04 -0.17 2.11 3.07 -1.96 -2.05 114.58 114.80 2kl2 h GLU 72 Ca -0.42 -0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.26 2kl2 h GLU 72 Cb 1.28 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 29.19 2kl2 h GLU 72 CO 0.49 0.08 -0.56 0.37 -1.40 0.00 0.00 179.01 177.99 2kl2 h GLN 73 N 0.04 0.67 -0.41 2.33 5.75 -1.94 -1.30 115.11 120.25 2kl2 h GLN 73 Ca 0.01 -0.50 -0.03 0.00 -0.15 0.00 0.00 58.65 57.97 2kl2 h GLN 73 Cb 0.09 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 2kl2 h GLN 73 CO 0.00 1.12 0.12 1.98 -2.65 0.00 0.00 178.83 179.41 2kl2 h MET 74 N 0.36 0.65 -0.03 1.69 4.05 -1.57 0.30 114.93 120.38 2kl2 h MET 74 Ca -0.02 -0.14 -0.01 0.00 -0.28 0.00 0.00 59.70 59.24 2kl2 h MET 74 Cb 1.18 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.89 2kl2 h MET 74 CO 0.12 0.65 -0.02 1.25 0.23 0.00 0.00 176.91 179.13 2kl2 h LEU 75 N 0.53 0.04 0.17 3.39 5.85 -1.41 -1.72 115.31 122.16 2kl2 h LEU 75 Ca 0.13 -0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.55 2kl2 h LEU 75 Cb 0.27 -0.01 0.02 0.00 0.37 0.00 0.00 40.66 41.31 2kl2 h LEU 75 CO -0.00 0.08 -1.37 0.03 -0.34 0.00 0.00 178.44 176.84 2kl2 h ARG 76 N 0.05 0.37 -0.20 1.25 3.08 -0.53 -3.07 114.38 115.32 2kl2 h ARG 76 Ca 0.01 -0.62 -0.01 0.00 0.07 0.00 0.00 59.98 59.43 2kl2 h ARG 76 Cb 0.08 0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2kl2 h ARG 76 CO 0.00 1.29 0.10 0.35 -1.07 0.00 0.00 179.97 180.64 2kl2 h PHE 77 N 0.10 0.29 0.00 3.04 3.57 -0.01 -1.39 116.94 122.54 2kl2 h PHE 77 Ca -0.19 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.28 2kl2 h PHE 77 Cb 2.05 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 40.70 2kl2 h PHE 77 CO 0.09 0.29 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.33 2kl2 h LEU 78 N 0.21 0.00 -0.05 0.59 3.38 -1.46 0.13 115.31 118.10 2kl2 h LEU 78 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2kl2 h LEU 78 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2kl2 h LEU 78 CO -0.01 0.06 0.00 -0.67 0.09 0.00 0.00 178.44 177.91 2kl2 n ASP 79 N -3.65 0.05 0.00 -0.43 2.03 -0.53 -2.61 116.55 111.41 2kl2 n ASP 79 Ca -0.02 -1.82 0.00 0.00 0.52 0.00 0.00 54.79 53.47 2kl2 n ASP 79 Cb 0.17 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 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 -0.47 0.00 0.11 1.67 2.03 -0.57 -4.67 116.55 114.65 2kl2 n ASP 80 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 2kl2 n ASP 80 Cb 0.01 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 40.61 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 0.22 -0.28 -0.67 3.57 -0.85 -3.27 116.94 115.65 2kl2 h PHE 81 Ca 0.00 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2kl2 h PHE 81 Cb 0.00 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.70 2kl2 h PHE 81 CO 0.00 0.64 0.00 0.39 -2.23 0.00 0.00 178.31 177.11 2kl2 n GLU 82 N -3.96 2.00 -1.14 1.11 -0.58 -1.07 -4.92 120.64 112.08 2kl2 n GLU 82 Ca -0.02 -1.52 -0.09 0.00 -0.42 0.00 0.00 57.16 55.12 2kl2 n GLU 82 Cb 0.53 -1.42 -0.04 0.00 -0.57 0.00 0.00 31.44 29.94 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 0.73 -4.05 -4.74 1.62 2.03 -1.24 -4.13 116.55 106.78 2kl2 n ASP 83 Ca 0.17 0.22 -0.36 0.00 0.52 0.00 0.00 54.79 55.33 2kl2 n ASP 83 Cb 0.41 -3.20 0.05 0.00 -0.72 0.00 0.00 41.12 37.66 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 -1.74 0.12 0.40 0.00 -0.04 -1.26 -4.68 135.00 127.80 2kl2 n PRO 85 Ca 0.15 0.07 -0.16 0.00 -0.04 0.00 0.00 63.50 63.52 2kl2 n PRO 85 Cb 0.49 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.86 0.00 3.54 0.02 -1.59 -3.39 113.55 111.27 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 0.36 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2kl2 h SER 86 CO 0.00 -0.60 0.00 0.23 -1.14 0.00 0.00 176.83 175.32 2kl2 n MET 87 N -4.84 0.00 -2.81 3.45 2.81 -0.39 -4.96 117.12 110.39 2kl2 n MET 87 Ca -0.13 0.09 -0.21 0.00 -1.81 0.00 0.00 57.70 55.65 2kl2 n MET 87 Cb 0.40 -0.78 0.06 0.00 -0.71 0.00 0.00 33.22 32.20 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 -0.62 1.98 0.04 2.03 2.02 -1.26 -4.86 117.35 116.69 2kl2 s TYR 88 Ca 0.00 -0.38 0.05 0.00 -0.37 0.00 0.00 57.07 56.36 2kl2 s TYR 88 Cb 0.00 -2.60 -0.02 0.00 -0.40 0.00 0.00 41.96 38.94 2kl2 s TYR 88 CO 0.00 -1.16 -0.14 -0.65 -1.57 0.00 0.00 175.55 172.03 2kl2 s GLN 89 N -4.79 0.91 0.07 -0.62 1.11 0.41 -4.11 119.66 112.64 2kl2 s GLN 89 Ca 0.61 -0.79 -0.28 0.00 0.01 0.00 0.00 55.36 54.91 2kl2 s GLN 89 Cb -0.07 -0.92 -0.05 0.00 -1.01 0.00 0.00 33.01 30.96 2kl2 s GLN 89 CO 0.40 0.22 0.90 0.50 0.01 0.00 0.00 175.29 177.32 2kl2 s ARG 90 N -1.24 4.61 0.18 2.91 3.00 -1.26 -0.66 118.95 126.49 2kl2 s ARG 90 Ca 0.01 1.31 -0.01 0.00 -1.00 0.00 0.00 55.73 56.04 2kl2 s ARG 90 Cb -0.08 -3.39 -0.04 0.00 0.00 0.00 0.00 34.95 31.44 2kl2 s ARG 90 CO 0.01 0.19 0.11 0.99 0.00 0.00 0.00 175.30 176.61 2kl2 s THR 91 N 0.14 0.03 -0.10 4.11 2.01 0.25 -4.95 115.64 117.13 2kl2 s THR 91 Ca 0.45 -1.98 -0.03 0.00 0.31 0.00 0.00 61.69 60.45 2kl2 s THR 91 Cb -0.22 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 2kl2 s THR 91 CO 0.27 -0.11 0.01 0.00 -0.69 0.00 0.00 174.62 174.10 2kl2 s ALA 92 N -4.13 3.31 0.26 7.40 0.00 -1.26 -1.48 121.76 125.86 2kl2 s ALA 92 Ca 0.35 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.49 2kl2 s ALA 92 Cb 0.07 -1.54 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 2kl2 s ALA 92 CO 0.09 0.55 0.31 -0.48 0.00 0.00 0.00 175.76 176.23 2kl2 s LEU 93 N -0.75 1.02 -0.19 0.00 -0.00 -0.91 -4.99 118.68 112.86 2kl2 s LEU 93 Ca 0.12 -1.36 -0.15 0.00 -0.00 0.00 0.00 54.13 52.73 2kl2 s LEU 93 Cb -0.12 0.95 -0.04 0.00 -0.00 0.00 0.00 46.19 46.99 2kl2 s LEU 93 CO 0.02 -1.04 0.37 -1.58 -0.00 0.00 0.00 176.35 174.12 2kl2 s GLN 94 N -3.79 4.19 -0.13 1.48 2.00 -1.26 -2.37 119.66 119.78 2kl2 s GLN 94 Ca 0.34 0.16 -0.00 0.00 -2.00 0.00 0.00 55.36 53.86 2kl2 s GLN 94 Cb 0.03 -3.51 0.02 0.00 0.80 0.00 0.00 33.01 30.35 2kl2 s GLN 94 CO 0.15 0.02 -0.10 0.08 -0.50 0.00 0.00 175.29 174.95 2kl2 s VAL 95 N 1.12 1.24 0.16 1.34 1.01 -0.06 -4.03 120.40 121.17 2kl2 s VAL 95 Ca 0.18 -0.44 -0.31 0.00 0.00 0.00 0.00 61.98 61.41 2kl2 s VAL 95 Cb -0.14 -1.22 -0.10 0.00 0.00 0.00 0.00 36.38 34.91 2kl2 s VAL 95 CO 0.07 0.39 1.64 -1.58 0.00 0.00 0.00 175.10 175.62 2kl2 s GLN 96 N 1.62 4.19 -0.25 2.72 0.74 0.10 -0.34 119.66 128.43 2kl2 s GLN 96 Ca 0.05 2.43 -0.29 0.00 0.05 0.00 0.00 55.36 57.60 2kl2 s GLN 96 Cb -0.13 -3.24 -0.00 0.00 1.10 0.00 0.00 33.01 30.74 2kl2 s GLN 96 CO -0.09 -0.68 1.29 0.54 -0.55 0.00 0.00 175.29 175.80 2kl2 s VAL 97 N 1.51 4.18 -0.23 1.34 0.11 -0.87 -1.37 120.40 125.07 2kl2 s VAL 97 Ca 0.73 1.37 0.21 0.00 -2.93 0.00 0.00 61.98 61.35 2kl2 s VAL 97 Cb -0.45 -4.10 0.01 0.00 -1.53 0.00 0.00 36.38 30.32 2kl2 s VAL 97 CO 0.32 -0.36 1.07 -0.07 -3.33 0.00 0.00 175.10 172.74 2kl2 h LEU 98 N 10.51 0.00 -7.08 2.54 -0.00 -0.84 -3.46 115.31 116.99 2kl2 h LEU 98 Ca -0.26 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.55 2kl2 h LEU 98 Cb 1.10 0.00 -0.20 0.00 -0.00 0.00 0.00 40.66 41.56 2kl2 h LEU 98 CO 1.01 0.16 0.09 -0.70 -0.00 0.00 0.00 178.44 179.00 2kl2 s GLU 99 N -3.23 0.91 -0.16 1.13 2.12 -1.03 -4.86 118.70 113.58 2kl2 s GLU 99 Ca -0.00 0.45 -0.00 0.00 0.36 0.00 0.00 54.97 55.77 2kl2 s GLU 99 Cb 0.09 0.43 0.04 0.00 0.26 0.00 0.00 34.13 34.95 2kl2 s GLU 99 CO 0.78 -0.23 -0.07 -0.46 -0.54 0.00 0.00 175.26 174.74 2kl2 s TRP 100 N -0.65 1.84 -0.37 5.30 -0.11 -1.26 -1.38 118.94 122.31 2kl2 s TRP 100 Ca -0.07 -1.14 -0.13 0.00 1.22 0.00 0.00 56.10 55.97 2kl2 s TRP 100 Cb -0.02 -1.38 -0.00 0.00 -1.50 0.00 0.00 33.47 30.56 2kl2 s TRP 100 CO 0.06 -0.63 0.26 -1.21 -4.62 0.00 0.00 176.95 170.81 2kl2 s GLU 101 N 1.59 3.27 0.00 5.86 0.41 -1.26 -4.90 118.70 123.67 2kl2 s GLU 101 Ca 0.01 -0.80 0.00 0.00 -0.41 0.00 0.00 54.97 53.77 2kl2 s GLU 101 Cb -0.15 -3.86 0.00 0.00 -1.78 0.00 0.00 34.13 28.34 2kl2 s GLU 101 CO -0.08 -0.57 0.00 0.41 -0.49 0.00 0.00 175.26 174.53 2kl2 n GLY 102 N 5.12 -1.21 3.78 -1.39 0.00 -1.26 -4.72 105.19 105.50 2kl2 n GLY 102 Ca -0.12 -2.11 -0.29 0.00 0.00 0.00 0.00 46.02 43.50 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 3.20 -0.04 1.61 2.15 -1.26 -4.72 116.67 113.61 2kl2 s ASP 103 Ca 0.00 0.85 -0.00 0.00 0.43 0.00 0.00 52.55 53.83 2kl2 s ASP 103 Cb 0.00 -1.33 -0.00 0.00 -0.30 0.00 0.00 42.92 41.29 2kl2 s ASP 103 CO 0.00 -2.73 0.04 0.61 -0.17 0.00 0.00 175.17 172.92 2kl2 n GLY 104 N -2.27 0.50 3.32 2.66 0.00 -1.26 -5.01 105.19 103.13 2kl2 n GLY 104 Ca 0.08 -0.22 -0.47 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.75 6.73 0.00 1.61 2.15 -1.26 -4.96 116.67 118.19 2kl2 s ASP 105 Ca 0.01 -2.71 0.04 0.00 0.43 0.00 0.00 52.55 50.33 2kl2 s ASP 105 Cb -0.00 -2.20 0.23 0.00 -0.30 0.00 0.00 42.92 40.65 2kl2 s ASP 105 CO 0.03 -0.56 0.94 -0.81 -0.17 0.00 0.00 175.17 174.60 2kl2 n PRO 106 N 3.93 0.07 0.00 4.34 -0.04 -1.26 -5.01 135.00 137.04 2kl2 n PRO 106 Ca 0.14 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 2kl2 n PRO 106 Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.88 -2.93 0.00 0.55 0.00 -1.26 -4.66 105.19 96.01 2kl2 n GLY 107 Ca 0.02 -1.78 0.05 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.30 0.00 -4.15 1.61 9.92 -1.26 -4.50 116.55 117.88 2kl2 n ASP 108 Ca 0.00 -0.95 -0.10 0.00 -0.53 0.00 0.00 54.79 53.22 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 -0.55 0.13 0.00 0.00 177.20 176.78 2kl2 s SER 109 N -1.68 0.94 0.24 -2.24 0.15 -1.26 -2.05 113.70 107.79 2kl2 s SER 109 Ca 0.15 -1.01 0.05 0.00 0.70 0.00 0.00 55.95 55.84 2kl2 s SER 109 Cb 0.07 0.13 -0.05 0.00 -1.71 0.00 0.00 66.02 64.45 2kl2 s SER 109 CO 0.11 -0.51 -0.06 0.54 1.20 0.00 0.00 173.24 174.53 2kl2 s VAL 110 N -3.72 1.40 -0.45 4.45 0.11 0.53 -4.74 120.40 117.98 2kl2 s VAL 110 Ca 0.11 -2.10 -0.12 0.00 -2.93 0.00 0.00 61.98 56.94 2kl2 s VAL 110 Cb 0.06 -2.29 0.09 0.00 -1.53 0.00 0.00 36.38 32.71 2kl2 s VAL 110 CO -0.06 -0.40 0.34 -1.58 -3.33 0.00 0.00 175.10 170.07 2kl2 s GLN 111 N -3.76 2.73 0.41 1.54 -0.44 -1.26 -0.88 119.66 117.99 2kl2 s GLN 111 Ca 0.27 -1.51 0.05 0.00 -2.50 0.00 0.00 55.36 51.67 2kl2 s GLN 111 Cb 0.04 -3.96 0.00 0.00 -1.64 0.00 0.00 33.01 27.45 2kl2 s GLN 111 CO 0.09 -1.05 0.58 0.00 0.50 0.00 0.00 175.29 175.41 2kl2 s PHE 113 N -2.38 3.46 0.05 0.00 0.08 -0.89 -2.14 117.98 116.16 2kl2 s PHE 113 Ca 0.50 0.75 -0.09 0.00 0.12 0.00 0.00 56.93 58.21 2kl2 s PHE 113 Cb -0.10 -2.16 0.00 0.00 -0.57 0.00 0.00 43.02 40.20 2kl2 s PHE 113 CO 0.34 0.35 0.19 0.08 -0.10 0.00 0.00 175.22 176.09 2kl2 s VAL 114 N -1.72 0.12 -0.13 -0.44 1.01 -0.55 -1.93 120.40 116.77 2kl2 s VAL 114 Ca 0.44 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 61.26 2kl2 s VAL 114 Cb -0.12 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 2kl2 s VAL 114 CO 0.22 -0.53 0.58 -0.31 0.00 0.00 0.00 175.10 175.06 2kl2 s TYR 115 N -2.85 3.49 0.31 5.22 2.02 -1.26 -0.59 117.35 123.70 2kl2 s TYR 115 Ca -0.03 0.99 0.03 0.00 -0.37 0.00 0.00 57.07 57.70 2kl2 s TYR 115 Cb 0.00 -2.69 -0.01 0.00 -0.40 0.00 0.00 41.96 38.86 2kl2 s TYR 115 CO -0.05 0.05 0.11 0.25 -1.57 0.00 0.00 175.55 174.33 2kl2 n THR 116 N 3.99 0.00 -4.01 -0.71 -2.24 0.17 -4.67 114.28 106.80 2kl2 n THR 116 Ca -0.04 -1.80 -0.13 0.00 -2.27 0.00 0.00 64.05 59.80 2kl2 n THR 116 Cb 0.51 0.63 -0.14 0.00 -2.10 0.00 0.00 70.33 69.24 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 -2.69 0.21 -0.77 4.28 -1.32 -0.70 -0.45 115.64 114.20 2kl2 s THR 117 Ca 0.15 -0.22 0.08 0.00 -1.21 0.00 0.00 61.69 60.49 2kl2 s THR 117 Cb 0.01 -0.20 0.00 0.00 -1.51 0.00 0.00 72.50 70.80 2kl2 s THR 117 CO 0.11 -0.01 0.58 0.00 -2.21 0.00 0.00 174.62 173.08 2kl2 n ALA 118 N 2.83 2.72 -0.96 11.08 0.00 -1.26 -1.12 120.51 133.80 2kl2 n ALA 118 Ca -0.14 -0.41 0.08 0.00 0.00 0.00 0.00 53.44 52.97 2kl2 n ALA 118 Cb 0.59 -0.29 0.30 0.00 0.00 0.00 0.00 19.45 20.05 2kl2 n ALA 118 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2kl2 n THR 119 N -0.25 2.41 -1.36 0.00 -2.24 -1.26 -5.02 114.28 106.56 2kl2 n THR 119 Ca 0.03 -1.73 -0.31 0.00 -2.27 0.00 0.00 64.05 59.78 2kl2 n THR 119 Cb 0.17 -0.25 0.09 0.00 -2.10 0.00 0.00 70.33 68.24 2kl2 n THR 119 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2kl2 s TYR 120 N -2.78 2.69 0.38 4.78 -0.85 -1.26 -5.07 117.35 115.24 2kl2 s TYR 120 Ca 0.46 1.42 -0.15 0.00 -0.52 0.00 0.00 57.07 58.28 2kl2 s TYR 120 Cb 0.36 -3.04 -0.09 0.00 0.38 0.00 0.00 41.96 39.58 2kl2 s TYR 120 CO 0.11 -1.77 0.81 0.00 -1.52 0.00 0.00 175.55 173.18 2kl2 s ALA 121 N -2.97 3.25 0.37 9.51 0.00 -1.26 -5.00 121.76 125.66 2kl2 s ALA 121 Ca 0.61 0.06 0.24 0.00 0.00 0.00 0.00 51.96 52.87 2kl2 s ALA 121 Cb -0.16 -2.86 1.25 0.00 0.00 0.00 0.00 23.12 21.35 2kl2 s ALA 121 CO 0.56 0.16 2.00 -1.00 0.00 0.00 0.00 175.76 177.48 2kl2 h PRO 122 N 1.83 0.00 -0.75 0.00 0.13 -2.03 -2.69 132.00 128.49 2kl2 h PRO 122 Ca -0.48 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 64.86 2kl2 h PRO 122 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2kl2 h PRO 122 CO 0.64 0.17 0.53 1.05 -0.23 0.00 0.00 178.00 180.17 2kl2 h GLU 123 N 0.00 0.07 0.00 0.86 9.09 -2.01 -0.53 114.58 122.05 2kl2 h GLU 123 Ca -0.00 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.40 2kl2 h GLU 123 Cb 0.43 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.52 2kl2 h GLU 123 CO 0.02 0.05 0.00 0.91 0.05 0.00 0.00 179.01 180.04 2kl2 n TRP 124 N -4.35 0.31 0.52 2.06 7.02 -1.02 -2.08 117.44 119.91 2kl2 n TRP 124 Ca 0.15 0.10 0.12 0.00 -1.02 0.00 0.00 57.50 56.85 2kl2 n TRP 124 Cb 0.78 -0.66 0.22 0.00 -2.42 0.00 0.00 31.31 29.22 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 0.00 -0.99 -0.00 -1.29 -3.24 115.31 109.79 2kl2 h LEU 125 Ca 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 2kl2 h LEU 125 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 2kl2 h LEU 125 CO 0.00 0.06 -0.24 0.49 -0.00 0.00 0.00 178.44 178.75 2kl2 n PHE 126 N -2.27 0.04 -1.56 1.13 3.72 -0.88 -4.93 117.46 112.70 2kl2 n PHE 126 Ca 0.04 0.01 -0.32 0.00 -0.05 0.00 0.00 57.45 57.13 2kl2 n PHE 126 Cb 0.45 -0.40 0.06 0.00 -0.94 0.00 0.00 39.48 38.65 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 -3.08 3.19 0.59 4.37 1.43 -1.22 -5.05 118.68 118.91 2kl2 s LEU 127 Ca 0.12 1.78 -0.14 0.00 -1.03 0.00 0.00 54.13 54.86 2kl2 s LEU 127 Cb 0.18 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.84 2kl2 s LEU 127 CO 0.61 -1.65 1.03 -2.16 0.23 0.00 0.00 176.35 174.42 2kl2 s PRO 128 N -4.69 3.48 0.12 1.29 0.04 -1.26 -5.02 135.00 128.96 2kl2 s PRO 128 Ca 0.61 1.03 0.05 0.00 0.04 0.00 0.00 61.00 62.73 2kl2 s PRO 128 Cb -0.16 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2kl2 s PRO 128 CO 0.50 -0.67 0.05 0.71 0.04 0.00 0.00 177.00 177.64 2kl2 s TYR 129 N -2.70 3.05 0.20 0.56 2.02 -1.26 -4.37 117.35 114.85 2kl2 s TYR 129 Ca 0.60 -0.02 0.01 0.00 -0.37 0.00 0.00 57.07 57.29 2kl2 s TYR 129 Cb -0.13 -1.52 -0.05 0.00 -0.40 0.00 0.00 41.96 39.86 2kl2 s TYR 129 CO 0.41 0.50 0.07 -1.01 -1.57 0.00 0.00 175.55 173.95 2kl2 s HIS 130 N -1.50 1.27 -0.46 2.71 3.76 -1.14 -4.99 115.29 114.94 2kl2 s HIS 130 Ca 0.28 -1.17 0.07 0.00 -0.15 0.00 0.00 55.06 54.09 2kl2 s HIS 130 Cb -0.11 -0.72 -0.04 0.00 1.11 0.00 0.00 32.58 32.82 2kl2 s HIS 130 CO 0.20 -0.37 0.39 0.39 -0.85 0.00 0.00 174.74 174.50 2kl2 n GLU 131 N -0.31 3.70 -3.95 1.40 1.02 -1.26 -4.62 120.64 116.62 2kl2 n GLU 131 Ca -0.03 -0.22 -0.10 0.00 -0.02 0.00 0.00 57.16 56.80 2kl2 n GLU 131 Cb 0.65 -0.89 -0.02 0.00 -0.02 0.00 0.00 31.44 31.15 2kl2 n GLU 131 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2kl2 s SER 132 N -1.41 0.18 -0.19 1.62 1.04 -1.26 -0.99 113.70 112.69 2kl2 s SER 132 Ca 0.04 -1.09 -0.04 0.00 0.48 0.00 0.00 55.95 55.34 2kl2 s SER 132 Cb 0.05 0.70 0.06 0.00 0.10 0.00 0.00 66.02 66.94 2kl2 s SER 132 CO 0.24 -1.37 0.07 -0.47 0.98 0.00 0.00 173.24 172.69 2kl2 s TYR 133 N -3.27 0.52 -0.03 5.02 5.04 -1.26 -5.06 117.35 118.31 2kl2 s TYR 133 Ca 0.21 -0.56 -0.01 0.00 -2.44 0.00 0.00 57.07 54.26 2kl2 s TYR 133 Cb -0.03 -0.84 0.03 0.00 0.35 0.00 0.00 41.96 41.47 2kl2 s TYR 133 CO 0.12 -0.57 0.05 -0.51 -1.34 0.00 0.00 175.55 173.31 2kl2 s ASP 134 N 2.03 0.78 0.52 4.32 1.01 -1.26 -4.41 116.67 119.66 2kl2 s ASP 134 Ca 0.02 0.08 0.18 0.00 0.71 0.00 0.00 52.55 53.53 2kl2 s ASP 134 Cb -0.16 -0.10 1.31 0.00 1.01 0.00 0.00 42.92 44.97 2kl2 s ASP 134 CO -0.11 -0.21 2.14 -1.28 0.21 0.00 0.00 175.17 175.92 2kl2 h SER 135 N 8.06 0.00 0.24 0.27 0.87 -1.93 -1.49 113.55 119.57 2kl2 h SER 135 Ca -0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2kl2 h SER 135 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2kl2 h SER 135 CO 0.26 0.00 0.00 -0.33 -0.53 0.00 0.00 176.83 176.23 2kl2 h GLU 136 N 0.00 0.00 -7.18 2.24 4.39 -1.96 -3.46 114.58 108.61 2kl2 h GLU 136 Ca 0.03 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.23 2kl2 h GLU 136 Cb 0.12 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 28.85 2kl2 h GLU 136 CO -0.00 0.00 0.38 0.20 -1.16 0.00 0.00 179.01 178.43 2kl2 s GLY 137 N -3.86 2.21 0.00 -3.84 0.00 -0.56 -4.91 107.32 96.36 2kl2 s GLY 137 Ca -0.02 0.54 0.08 0.00 0.00 0.00 0.00 44.72 45.32 2kl2 s GLY 137 CO 0.35 0.88 1.14 -1.55 0.00 0.00 0.00 173.10 173.92 2kl2 n PRO 138 N -2.14 0.11 -0.19 2.90 -0.04 -1.26 -3.89 135.00 130.49 2kl2 n PRO 138 Ca 0.10 0.22 -0.01 0.00 -0.04 0.00 0.00 63.50 63.76 2kl2 n PRO 138 Cb 0.52 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.24 0.00 0.54 3.86 -1.93 -3.46 115.15 113.92 2kl2 h HIS 139 Ca 0.00 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2kl2 h HIS 139 Cb 0.08 0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.74 2kl2 h HIS 139 CO 0.00 -0.22 0.00 0.41 0.86 0.00 0.00 177.93 178.98 2kl2 n GLY 140 N -1.38 0.79 3.26 2.45 0.00 -1.25 -5.03 105.19 104.02 2kl2 n GLY 140 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 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 6.08 0.31 0.99 0.05 -1.26 -5.07 118.68 119.78 2kl2 s LEU 141 Ca 0.00 -2.18 0.10 0.00 0.05 0.00 0.00 54.13 52.10 2kl2 s LEU 141 Cb 0.00 -2.11 -0.06 0.00 -2.05 0.00 0.00 46.19 41.98 2kl2 s LEU 141 CO 0.00 -0.68 -0.12 -0.13 -0.55 0.00 0.00 176.35 174.88 2kl2 s ARG 142 N 0.97 1.84 0.45 1.48 3.00 -1.26 -4.97 118.95 120.46 2kl2 s ARG 142 Ca 0.09 -1.80 -0.24 0.00 0.00 0.00 0.00 55.73 53.78 2kl2 s ARG 142 Cb -0.23 -1.80 -0.07 0.00 0.00 0.00 0.00 34.95 32.85 2kl2 s ARG 142 CO -0.02 0.24 1.28 -0.47 0.00 0.00 0.00 175.30 176.33 2kl2 s TYR 143 N -2.53 2.70 -0.60 -0.53 5.04 -1.26 -4.65 117.35 115.52 2kl2 s TYR 143 Ca 0.32 1.43 0.04 0.00 -2.44 0.00 0.00 57.07 56.42 2kl2 s TYR 143 Cb -0.02 -3.63 0.15 0.00 0.35 0.00 0.00 41.96 38.82 2kl2 s TYR 143 CO 0.17 -2.14 0.38 -0.80 -1.34 0.00 0.00 175.55 171.82 2kl2 s ASN 144 N -0.96 4.34 -0.20 4.32 0.01 -1.01 -4.88 114.94 116.57 2kl2 s ASN 144 Ca 0.62 -3.40 -0.18 0.00 -0.71 0.00 0.00 52.86 49.19 2kl2 s ASN 144 Cb -0.36 -1.51 -0.20 0.00 0.41 0.00 0.00 41.25 39.59 2kl2 s ASN 144 CO 0.45 -0.16 0.19 -0.81 -1.51 0.00 0.00 177.10 175.26 2kl2 n PRO 145 N 2.56 0.61 0.00 -0.60 -0.04 -1.26 -4.79 135.00 131.48 2kl2 n PRO 145 Ca 0.14 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 2kl2 n PRO 145 Cb 0.35 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 2kl2 n PRO 145 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2kl2 n ARG 146 N -4.21 0.07 0.00 0.54 0.63 -1.26 -5.05 116.66 107.38 2kl2 n ARG 146 Ca -0.34 -0.34 0.00 0.00 -0.92 0.00 0.00 57.85 56.24 2kl2 n ARG 146 Cb 0.78 -0.64 0.00 0.00 0.45 0.00 0.00 32.46 33.05 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 -0.04 0.00 -0.23 -0.14 4.71 -1.26 -0.94 120.64 122.73 2kl2 n GLU 147 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.16 57.29 2kl2 n GLU 147 Cb 0.26 0.00 0.44 0.00 -1.01 0.00 0.00 31.44 31.13 2kl2 n GLU 147 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 2kl2 h ASN 148 N 0.00 0.54 0.00 1.62 2.35 -2.01 -3.53 115.58 114.55 2kl2 h ASN 148 Ca 0.00 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2kl2 h ASN 148 Cb 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.30 2kl2 h ASN 148 CO 0.00 0.26 0.00 0.54 -1.65 0.00 0.00 177.43 176.58