#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 -2.40 0.28 3.04 0.00 -0.60 -4.97 121.76 117.10 2kl2 s ALA 2 Ca 0.00 2.19 -0.27 0.00 0.00 0.00 0.00 51.96 53.87 2kl2 s ALA 2 Cb 0.00 -1.90 -0.09 0.00 0.00 0.00 0.00 23.12 21.13 2kl2 s ALA 2 CO 0.00 -0.86 0.92 -1.01 0.00 0.00 0.00 175.76 174.81 2kl2 s HIS 3 N 2.45 3.81 0.25 0.00 0.09 -1.26 -2.39 115.29 118.24 2kl2 s HIS 3 Ca -0.05 1.80 0.03 0.00 -0.00 0.00 0.00 55.06 56.85 2kl2 s HIS 3 Cb -0.08 -2.92 -0.01 0.00 -0.00 0.00 0.00 32.58 29.57 2kl2 s HIS 3 CO -0.18 0.33 0.12 0.44 -0.00 0.00 0.00 174.74 175.45 2kl2 n ILE 4 N 0.98 0.00 -4.53 0.60 -5.35 -0.51 -3.38 119.36 107.17 2kl2 n ILE 4 Ca -0.00 -1.53 -0.25 0.00 -0.27 0.00 0.00 62.75 60.69 2kl2 n ILE 4 Cb 0.49 0.62 -0.10 0.00 -1.74 0.00 0.00 39.64 38.90 2kl2 n ILE 4 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 2kl2 s PHE 5 N -2.63 2.34 0.08 4.28 5.36 -0.90 -3.12 117.98 123.39 2kl2 s PHE 5 Ca 0.17 -0.52 0.06 0.00 -0.96 0.00 0.00 56.93 55.68 2kl2 s PHE 5 Cb 0.01 -1.33 -0.04 0.00 -0.34 0.00 0.00 43.02 41.32 2kl2 s PHE 5 CO 0.12 0.55 -0.07 0.54 -1.46 0.00 0.00 175.22 174.90 2kl2 s VAL 6 N -2.66 3.57 -2.18 3.12 0.11 -1.26 -4.89 120.40 116.21 2kl2 s VAL 6 Ca 0.32 -1.11 0.18 0.00 -2.93 0.00 0.00 61.98 58.44 2kl2 s VAL 6 Cb 0.02 -2.65 0.42 0.00 -1.53 0.00 0.00 36.38 32.64 2kl2 s VAL 6 CO 0.16 0.17 1.43 0.00 -3.33 0.00 0.00 175.10 173.52 2kl2 n TYR 7 N 0.83 0.43 0.00 1.54 4.19 -1.26 -4.84 117.16 118.05 2kl2 n TYR 7 Ca -0.13 -0.22 0.00 0.00 3.31 0.00 0.00 57.90 60.86 2kl2 n TYR 7 Cb 0.52 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.35 2kl2 n TYR 7 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2kl2 n GLY 8 N 1.22 2.44 0.26 2.98 0.00 -1.26 -4.91 105.19 105.92 2kl2 n GLY 8 Ca 0.16 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 0.50 -0.63 2.61 1.35 -1.88 -3.31 112.91 111.56 2kl2 h THR 9 Ca 0.00 -0.66 -0.30 0.00 -0.55 0.00 0.00 66.41 64.90 2kl2 h THR 9 Cb 0.00 1.45 -0.32 0.00 -1.73 0.00 0.00 68.15 67.54 2kl2 h THR 9 CO 0.00 0.13 -0.93 0.18 -0.25 0.00 0.00 175.52 174.65 2kl2 n LEU 10 N -3.52 0.46 0.00 3.87 4.32 -1.26 -3.66 117.00 117.22 2kl2 n LEU 10 Ca -0.01 -3.54 0.00 0.00 -0.02 0.00 0.00 56.01 52.44 2kl2 n LEU 10 Cb 0.28 0.32 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 2kl2 n LEU 10 CO 0.30 1.59 0.00 2.29 -1.22 0.00 0.00 177.39 180.35 2kl2 n LYS 11 N -0.34 0.00 0.14 3.23 2.85 -1.25 -4.99 118.16 117.81 2kl2 n LYS 11 Ca 0.04 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.24 2kl2 n LYS 11 Cb 0.83 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 35.18 2kl2 n LYS 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kl2 h ARG 12 N 0.00 -0.38 0.00 -1.58 -0.00 -1.92 -3.45 114.38 107.05 2kl2 h ARG 12 Ca 0.00 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.51 2kl2 h ARG 12 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.06 2kl2 h ARG 12 CO 0.00 -0.26 0.00 0.41 0.00 0.00 0.00 179.97 180.12 2kl2 n GLY 13 N -1.21 -1.68 3.78 0.04 0.00 -1.26 -5.03 105.19 99.84 2kl2 n GLY 13 Ca -0.05 0.96 -0.22 0.00 0.00 0.00 0.00 46.02 46.71 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 2.77 0.53 1.61 1.11 -1.26 -4.64 119.66 119.78 2kl2 s GLN 14 Ca 0.00 -1.15 0.23 0.00 0.01 0.00 0.00 55.36 54.45 2kl2 s GLN 14 Cb 0.00 -2.47 1.45 0.00 -1.01 0.00 0.00 33.01 30.99 2kl2 s GLN 14 CO 0.00 0.38 2.15 -1.00 0.01 0.00 0.00 175.29 176.82 2kl2 h PRO 15 N 1.57 0.00 0.00 2.91 0.13 -1.95 -2.15 132.00 132.51 2kl2 h PRO 15 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kl2 h PRO 15 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kl2 h PRO 15 CO 0.61 0.06 0.00 -0.91 -0.23 0.00 0.00 178.00 177.52 2kl2 h ASN 16 N 0.00 0.00 -0.05 1.44 2.35 -1.97 -3.37 115.58 113.98 2kl2 h ASN 16 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 2kl2 h ASN 16 Cb 0.12 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2kl2 h ASN 16 CO 0.01 0.00 -0.10 -0.74 -1.65 0.00 0.00 177.43 174.95 2kl2 h HIS 17 N 0.00 0.35 0.00 1.19 2.76 -1.45 -0.36 115.15 117.63 2kl2 h HIS 17 Ca 0.00 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 2kl2 h HIS 17 Cb 0.55 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.41 2kl2 h HIS 17 CO 0.00 0.43 0.05 1.57 -1.30 0.00 0.00 177.93 178.68 2kl2 h LYS 18 N 0.31 0.00 -0.74 5.26 5.09 -1.83 -2.25 116.57 122.41 2kl2 h LYS 18 Ca 0.06 0.00 0.10 0.00 0.09 0.00 0.00 60.65 60.91 2kl2 h LYS 18 Cb 0.38 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 32.66 2kl2 h LYS 18 CO 0.02 0.00 0.49 -0.24 -2.09 0.00 0.00 179.45 177.63 2kl2 h VAL 19 N 0.00 0.91 -0.01 0.07 3.04 -1.37 -0.96 116.25 117.94 2kl2 h VAL 19 Ca 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 2kl2 h VAL 19 Cb 0.11 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 29.64 2kl2 h VAL 19 CO 0.00 0.11 -0.20 1.15 -1.01 0.00 0.00 177.57 177.63 2kl2 n MET 20 N -4.50 0.78 0.00 4.17 0.00 -0.84 -3.50 117.12 113.22 2kl2 n MET 20 Ca 0.13 -0.39 0.13 0.00 0.00 0.00 0.00 57.70 57.56 2kl2 n MET 20 Cb 0.37 -1.49 0.33 0.00 0.00 0.00 0.00 33.22 32.43 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 -0.77 0.90 -4.22 3.17 4.77 -0.37 -4.53 117.00 115.96 2kl2 n LEU 21 Ca 0.13 -0.20 -0.41 0.00 -0.03 0.00 0.00 56.01 55.49 2kl2 n LEU 21 Cb 0.32 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.18 2kl2 n LEU 21 CO 0.25 0.18 -0.00 -1.81 -1.33 0.00 0.00 177.39 174.67 2kl2 s ASP 22 N -2.64 5.75 0.60 -1.43 1.01 -1.22 -4.97 116.67 113.77 2kl2 s ASP 22 Ca 0.21 -1.91 0.38 0.00 0.71 0.00 0.00 52.55 51.93 2kl2 s ASP 22 Cb 0.19 -2.03 2.08 0.00 1.01 0.00 0.00 42.92 44.17 2kl2 s ASP 22 CO 0.57 -0.71 2.17 -0.74 0.21 0.00 0.00 175.17 176.67 2kl2 h HIS 23 N 8.48 0.00 0.00 4.23 -0.00 -1.81 0.24 115.15 126.30 2kl2 h HIS 23 Ca -0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.14 2kl2 h HIS 23 Cb 1.07 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.48 2kl2 h HIS 23 CO 0.65 0.00 -0.08 0.77 -0.00 0.00 0.00 177.93 179.27 2kl2 h SER 24 N 0.00 0.00 0.18 3.26 0.02 -1.94 -1.14 113.55 113.93 2kl2 h SER 24 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kl2 h SER 24 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2kl2 h SER 24 CO 0.00 0.08 0.00 1.41 -1.14 0.00 0.00 176.83 177.18 2kl2 n HIS 25 N -4.21 0.00 0.00 3.45 8.25 0.07 -5.01 115.22 117.77 2kl2 n HIS 25 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2kl2 n HIS 25 Cb 0.16 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.17 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 0.95 1.20 3.80 -1.41 0.00 -0.43 -3.77 105.19 105.53 2kl2 n GLY 26 Ca 0.19 -2.20 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 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 4.41 -0.07 0.99 1.98 -1.26 -4.31 118.68 120.42 2kl2 s LEU 27 Ca 0.00 0.86 -0.03 0.00 -2.89 0.00 0.00 54.13 52.07 2kl2 s LEU 27 Cb 0.00 -2.55 0.04 0.00 0.66 0.00 0.00 46.19 44.34 2kl2 s LEU 27 CO 0.00 0.25 0.14 0.00 -1.89 0.00 0.00 176.35 174.85 2kl2 s ALA 28 N -0.58 -0.18 -0.06 5.97 0.00 -1.26 -2.58 121.76 123.06 2kl2 s ALA 28 Ca 0.23 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2kl2 s ALA 28 Cb -0.16 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.37 2kl2 s ALA 28 CO 0.11 -0.35 -0.05 0.00 0.00 0.00 0.00 175.76 175.48 2kl2 s ALA 29 N 1.70 0.84 -0.26 0.00 0.00 0.27 -5.00 121.76 119.31 2kl2 s ALA 29 Ca -0.03 -0.19 -0.28 0.00 0.00 0.00 0.00 51.96 51.47 2kl2 s ALA 29 Cb -0.12 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 2kl2 s ALA 29 CO -0.06 -0.16 2.25 0.12 0.00 0.00 0.00 175.76 177.92 2kl2 s PHE 30 N 1.25 1.14 -0.60 0.00 2.19 -1.26 -0.91 117.98 119.78 2kl2 s PHE 30 Ca -0.05 0.70 0.06 0.00 0.33 0.00 0.00 56.93 57.97 2kl2 s PHE 30 Cb -0.14 -3.87 0.28 0.00 -1.31 0.00 0.00 43.02 37.98 2kl2 s PHE 30 CO -0.02 -3.85 0.81 -2.13 1.83 0.00 0.00 175.22 171.86 2kl2 n ARG 31 N 8.81 2.68 -0.03 10.12 3.00 0.30 -4.86 116.66 136.68 2kl2 n ARG 31 Ca 0.31 -4.66 0.00 0.00 -0.00 0.00 0.00 57.85 53.50 2kl2 n ARG 31 Cb 0.46 -2.20 -0.00 0.00 0.00 0.00 0.00 32.46 30.72 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 0.48 -1.99 3.54 5.14 0.00 -1.26 -4.28 105.19 106.82 2kl2 n GLY 32 Ca 0.30 -1.39 -0.25 0.00 0.00 0.00 0.00 46.02 44.68 2kl2 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kl2 s ARG 33 N -0.18 1.81 0.18 1.61 0.52 -0.09 -1.47 118.95 121.33 2kl2 s ARG 33 Ca 0.00 -2.00 -0.23 0.00 -0.52 0.00 0.00 55.73 52.97 2kl2 s ARG 33 Cb 0.00 -1.34 0.07 0.00 0.52 0.00 0.00 34.95 34.20 2kl2 s ARG 33 CO 0.00 -0.08 0.97 0.20 0.02 0.00 0.00 175.30 176.42 2kl2 s GLY 34 N -3.60 -0.07 0.08 -3.53 0.00 -0.83 -0.50 107.32 98.86 2kl2 s GLY 34 Ca 0.35 -0.09 -0.04 0.00 0.00 0.00 0.00 44.72 44.93 2kl2 s GLY 34 CO 0.17 0.76 0.08 0.00 0.00 0.00 0.00 173.10 174.10 2kl2 s THR 36 N -3.92 3.75 0.42 0.00 -4.23 -0.23 -0.08 115.64 111.35 2kl2 s THR 36 Ca 0.09 0.60 0.10 0.00 -1.18 0.00 0.00 61.69 61.30 2kl2 s THR 36 Cb 0.06 -4.49 0.21 0.00 1.34 0.00 0.00 72.50 69.62 2kl2 s THR 36 CO -0.08 -1.27 2.00 -0.37 -0.54 0.00 0.00 174.62 174.35 2kl2 h VAL 37 N 6.35 1.12 -2.73 2.29 -1.51 -1.90 -3.28 116.25 116.59 2kl2 h VAL 37 Ca -0.27 -0.48 -0.54 0.00 -1.23 0.00 0.00 66.70 64.18 2kl2 h VAL 37 Cb 1.09 0.99 0.01 0.00 -2.13 0.00 0.00 31.29 31.26 2kl2 h VAL 37 CO 1.20 0.16 0.97 -0.70 -1.23 0.00 0.00 177.57 177.97 2kl2 s GLU 38 N -4.98 4.22 0.14 5.19 2.12 -1.26 -4.80 118.70 119.32 2kl2 s GLU 38 Ca -0.06 2.24 -0.31 0.00 0.36 0.00 0.00 54.97 57.20 2kl2 s GLU 38 Cb 0.16 -3.62 -0.08 0.00 0.26 0.00 0.00 34.13 30.85 2kl2 s GLU 38 CO 0.72 -0.71 1.36 -1.12 -0.54 0.00 0.00 175.26 174.98 2kl2 s SER 39 N 2.35 6.85 0.04 -1.70 0.01 -1.26 -4.61 113.70 115.38 2kl2 s SER 39 Ca 0.72 2.35 -0.01 0.00 1.31 0.00 0.00 55.95 60.31 2kl2 s SER 39 Cb -0.37 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.23 2kl2 s SER 39 CO 0.31 -0.61 -0.02 -0.36 0.41 0.00 0.00 173.24 172.97 2kl2 s PHE 40 N 0.79 0.42 -0.40 2.43 0.08 -0.41 -0.56 117.98 120.33 2kl2 s PHE 40 Ca 0.62 -0.88 -0.28 0.00 0.12 0.00 0.00 56.93 56.50 2kl2 s PHE 40 Cb -0.37 -0.32 -0.01 0.00 -0.57 0.00 0.00 43.02 41.76 2kl2 s PHE 40 CO 0.33 -0.33 1.72 -1.25 -0.10 0.00 0.00 175.22 175.58 2kl2 s PRO 41 N -3.20 3.26 -0.37 0.24 0.04 -0.52 -2.01 135.00 132.44 2kl2 s PRO 41 Ca 0.00 1.15 0.02 0.00 0.04 0.00 0.00 61.00 62.22 2kl2 s PRO 41 Cb 0.03 -4.19 0.11 0.00 0.04 0.00 0.00 34.50 30.48 2kl2 s PRO 41 CO -0.07 -1.95 0.11 -1.17 0.04 0.00 0.00 177.00 173.96 2kl2 s LEU 42 N 6.93 4.90 0.00 -3.56 1.98 -1.26 -2.46 118.68 125.21 2kl2 s LEU 42 Ca 0.73 -2.17 0.03 0.00 -2.89 0.00 0.00 54.13 49.83 2kl2 s LEU 42 Cb -0.18 -1.69 -0.01 0.00 0.66 0.00 0.00 46.19 44.96 2kl2 s LEU 42 CO 0.31 -0.42 -0.10 0.68 -1.89 0.00 0.00 176.35 174.93 2kl2 s VAL 43 N 0.90 0.78 -0.22 1.68 -7.23 -1.08 -1.61 120.40 113.62 2kl2 s VAL 43 Ca 0.11 -0.53 -0.05 0.00 -1.81 0.00 0.00 61.98 59.70 2kl2 s VAL 43 Cb -0.20 -0.68 -0.02 0.00 0.56 0.00 0.00 36.38 36.04 2kl2 s VAL 43 CO -0.06 0.14 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.23 2kl2 s ILE 44 N -0.38 3.73 0.00 -0.62 1.09 -1.26 -0.96 121.20 122.80 2kl2 s ILE 44 Ca 0.02 -0.37 0.00 0.00 -1.10 0.00 0.00 60.65 59.20 2kl2 s ILE 44 Cb -0.05 -2.71 -0.00 0.00 -1.06 0.00 0.00 42.46 38.64 2kl2 s ILE 44 CO -0.00 0.40 0.00 0.00 -0.10 0.00 0.00 174.94 175.25 2kl2 n ALA 45 N 4.69 0.01 -0.76 9.38 0.00 -0.86 -4.89 120.51 128.07 2kl2 n ALA 45 Ca -0.17 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.34 2kl2 n ALA 45 Cb 0.51 0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.01 -2.73 0.00 0.00 0.00 -1.26 -0.61 105.19 100.59 2kl2 n GLY 46 Ca 0.00 -1.26 0.11 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.33 0.93 -0.23 1.61 2.13 -1.26 -3.34 120.64 117.14 2kl2 n GLU 47 Ca -0.04 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.81 2kl2 n GLU 47 Cb 0.36 -1.36 0.04 0.00 0.27 0.00 0.00 31.44 30.74 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 -0.86 0.00 -3.12 4.31 8.25 -1.26 -5.04 115.22 117.50 2kl2 n HIS 48 Ca 0.16 -0.34 -0.07 0.00 -0.26 0.00 0.00 57.72 57.22 2kl2 n HIS 48 Cb 0.07 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.12 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 -0.46 -7.38 -4.13 0.41 4.13 -1.21 -2.61 115.26 104.01 2kl2 n ASN 49 Ca 0.04 -0.04 -0.38 0.00 1.68 0.00 0.00 54.58 55.89 2kl2 n ASN 49 Cb 0.60 -4.73 -0.08 0.00 -1.54 0.00 0.00 39.78 34.03 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 -2.83 4.05 0.21 2.41 1.01 0.22 -4.11 121.20 122.15 2kl2 s ILE 50 Ca 0.08 -2.98 -0.32 0.00 0.00 0.00 0.00 60.65 57.43 2kl2 s ILE 50 Cb -0.02 -3.60 -0.14 0.00 0.01 0.00 0.00 42.46 38.71 2kl2 s ILE 50 CO 0.78 -0.92 1.35 -0.81 0.00 0.00 0.00 174.94 175.33 2kl2 n PRO 51 N 3.45 1.75 -5.17 2.79 -0.04 -1.26 -2.03 135.00 134.49 2kl2 n PRO 51 Ca 0.10 0.62 -0.32 0.00 -0.04 0.00 0.00 63.50 63.87 2kl2 n PRO 51 Cb 0.39 -2.24 -0.15 0.00 -0.04 0.00 0.00 33.50 31.46 2kl2 n PRO 51 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2kl2 s TRP 52 N -0.00 2.48 -0.59 0.54 0.52 -0.13 -4.96 118.94 116.79 2kl2 s TRP 52 Ca 0.71 -0.49 -0.07 0.00 0.02 0.00 0.00 56.10 56.27 2kl2 s TRP 52 Cb -0.72 -1.58 0.15 0.00 -1.15 0.00 0.00 33.47 30.17 2kl2 s TRP 52 CO 0.49 -0.06 0.45 -1.17 0.02 0.00 0.00 176.95 176.69 2kl2 s LEU 53 N -0.42 5.72 0.35 2.99 0.20 -1.26 -2.62 118.68 123.63 2kl2 s LEU 53 Ca 0.04 -2.42 -0.26 0.00 0.69 0.00 0.00 54.13 52.19 2kl2 s LEU 53 Cb -0.12 -1.98 -0.09 0.00 -0.43 0.00 0.00 46.19 43.57 2kl2 s LEU 53 CO 0.01 -0.54 1.04 -0.76 -0.29 0.00 0.00 176.35 175.81 2kl2 s LEU 54 N 0.59 4.31 -1.35 -0.68 1.43 -1.03 -1.56 118.68 120.39 2kl2 s LEU 54 Ca 0.12 2.06 -0.17 0.00 -1.03 0.00 0.00 54.13 55.12 2kl2 s LEU 54 Cb -0.21 -3.98 0.05 0.00 0.03 0.00 0.00 46.19 42.08 2kl2 s LEU 54 CO -0.04 -0.30 1.94 0.00 0.23 0.00 0.00 176.35 178.19 2kl2 n TYR 55 N 0.44 4.14 -3.60 0.29 9.36 -0.56 -4.33 117.16 122.90 2kl2 n TYR 55 Ca 0.03 -2.85 -0.28 0.00 3.32 0.00 0.00 57.90 58.11 2kl2 n TYR 55 Cb 0.48 -2.59 -0.11 0.00 -0.63 0.00 0.00 39.34 36.49 2kl2 n TYR 55 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 2kl2 s LEU 56 N 3.51 2.51 0.58 2.98 1.98 -1.26 -5.02 118.68 123.96 2kl2 s LEU 56 Ca 0.52 -3.08 -0.20 0.00 -2.89 0.00 0.00 54.13 48.48 2kl2 s LEU 56 Cb 0.08 -0.87 -0.04 0.00 0.66 0.00 0.00 46.19 46.03 2kl2 s LEU 56 CO 0.01 -0.18 1.25 -2.16 -1.89 0.00 0.00 176.35 173.38 2kl2 s PRO 57 N -0.15 2.98 0.00 0.98 0.04 -1.26 -3.00 135.00 134.59 2kl2 s PRO 57 Ca 0.26 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.26 2kl2 s PRO 57 Cb -0.07 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2kl2 s PRO 57 CO -0.12 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.09 2kl2 n GLY 58 N 0.64 0.60 3.03 0.56 0.00 0.27 -4.97 105.19 105.32 2kl2 n GLY 58 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2kl2 n GLY 58 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kl2 s LYS 59 N -0.39 2.24 0.00 1.61 2.47 -1.13 -4.91 119.74 119.63 2kl2 s LYS 59 Ca 0.00 -0.55 0.00 0.00 -1.56 0.00 0.00 55.97 53.86 2kl2 s LYS 59 Cb 0.00 -2.02 0.00 0.00 -1.46 0.00 0.00 37.83 34.35 2kl2 s LYS 59 CO 0.00 -0.18 0.00 0.41 0.16 0.00 0.00 175.35 175.74 2kl2 n GLY 60 N 4.60 0.27 3.30 5.54 0.00 -1.26 -1.43 105.19 116.21 2kl2 n GLY 60 Ca -0.17 -1.86 -0.17 0.00 0.00 0.00 0.00 46.02 43.81 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 1.54 -0.36 1.61 3.76 -0.85 -4.46 115.29 116.52 2kl2 s HIS 61 Ca 0.00 -1.40 -0.29 0.00 -0.15 0.00 0.00 55.06 53.22 2kl2 s HIS 61 Cb 0.00 -0.79 0.01 0.00 1.11 0.00 0.00 32.58 32.92 2kl2 s HIS 61 CO 0.00 -0.58 1.20 0.00 -0.85 0.00 0.00 174.74 174.52 2kl2 s VAL 63 N 4.30 4.15 0.21 0.00 1.01 -1.24 -4.61 120.40 124.23 2kl2 s VAL 63 Ca 0.51 1.21 -0.07 0.00 0.00 0.00 0.00 61.98 63.63 2kl2 s VAL 63 Cb -0.12 -4.44 -0.06 0.00 0.00 0.00 0.00 36.38 31.75 2kl2 s VAL 63 CO 0.24 -0.85 0.49 0.42 0.00 0.00 0.00 175.10 175.40 2kl2 s THR 64 N 4.62 5.04 0.00 3.92 -4.23 0.31 -1.07 115.64 124.23 2kl2 s THR 64 Ca 0.52 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.23 2kl2 s THR 64 Cb -0.10 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.09 2kl2 s THR 64 CO 0.30 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 2kl2 n GLY 65 N -0.26 0.69 3.73 3.99 0.00 0.16 -4.80 105.19 108.70 2kl2 n GLY 65 Ca -0.01 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.15 2.15 -0.21 1.61 -1.05 -1.26 -1.96 118.70 117.83 2kl2 s GLU 66 Ca 0.00 -2.35 0.01 0.00 -0.15 0.00 0.00 54.97 52.48 2kl2 s GLU 66 Cb 0.00 -1.48 0.04 0.00 -0.44 0.00 0.00 34.13 32.25 2kl2 s GLU 66 CO 0.00 -0.33 -0.14 0.42 0.95 0.00 0.00 175.26 176.16 2kl2 s ILE 67 N -2.88 1.92 -0.08 1.83 1.01 -0.54 -4.18 121.20 118.28 2kl2 s ILE 67 Ca 0.10 -1.13 -0.20 0.00 0.00 0.00 0.00 60.65 59.42 2kl2 s ILE 67 Cb 0.03 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 2kl2 s ILE 67 CO 0.05 0.26 0.57 -0.31 0.00 0.00 0.00 174.94 175.51 2kl2 s TYR 68 N 1.29 3.56 0.10 3.97 2.02 -1.18 -0.54 117.35 126.57 2kl2 s TYR 68 Ca -0.01 1.05 -0.31 0.00 -0.37 0.00 0.00 57.07 57.44 2kl2 s TYR 68 Cb -0.16 -2.64 -0.07 0.00 -0.40 0.00 0.00 41.96 38.69 2kl2 s TYR 68 CO -0.09 0.17 1.33 -2.00 -1.57 0.00 0.00 175.55 173.39 2kl2 s GLU 69 N 0.54 4.35 0.23 -0.62 -6.30 -0.09 -1.42 118.70 115.40 2kl2 s GLU 69 Ca 0.30 1.99 0.02 0.00 -2.50 0.00 0.00 54.97 54.78 2kl2 s GLU 69 Cb -0.16 -3.27 -0.05 0.00 0.00 0.00 0.00 34.13 30.64 2kl2 s GLU 69 CO 0.14 -0.38 0.06 0.14 0.02 0.00 0.00 175.26 175.24 2kl2 s VAL 70 N 1.06 0.66 0.59 3.70 -7.23 -1.01 -0.57 120.40 117.60 2kl2 s VAL 70 Ca 0.63 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.88 2kl2 s VAL 70 Cb -0.35 -2.46 0.10 0.00 0.56 0.00 0.00 36.38 34.23 2kl2 s VAL 70 CO 0.30 -0.17 0.81 -0.90 -0.31 0.00 0.00 175.10 174.83 2kl2 n ASP 71 N -0.40 1.94 -0.19 4.85 5.75 -1.07 -0.88 116.55 126.56 2kl2 n ASP 71 Ca -0.02 -2.44 -0.08 0.00 -0.01 0.00 0.00 54.79 52.23 2kl2 n ASP 71 Cb 0.65 -0.45 0.01 0.00 -1.03 0.00 0.00 41.12 40.31 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 0.84 -0.77 0.11 5.08 -1.94 -1.68 114.58 116.22 2kl2 h GLU 72 Ca -0.27 -0.19 0.09 0.00 -1.00 0.00 0.00 59.36 57.99 2kl2 h GLU 72 Cb 1.21 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 30.27 2kl2 h GLU 72 CO 0.37 0.78 0.42 1.96 -1.00 0.00 0.00 179.01 181.54 2kl2 h GLN 73 N 0.74 0.68 0.10 2.33 1.08 -1.94 0.36 115.11 118.46 2kl2 h GLN 73 Ca 0.17 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 2kl2 h GLN 73 Cb 0.31 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2kl2 h GLN 73 CO -0.00 0.45 -0.05 1.98 -0.95 0.00 0.00 178.83 180.26 2kl2 h MET 74 N 0.70 -0.13 -0.08 1.46 4.05 -1.62 0.33 114.93 119.64 2kl2 h MET 74 Ca 0.37 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.82 2kl2 h MET 74 Cb 0.36 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.18 2kl2 h MET 74 CO -0.25 0.17 0.07 1.25 0.23 0.00 0.00 176.91 178.37 2kl2 h LEU 75 N -0.44 0.00 -0.03 3.39 6.46 -0.78 -1.75 115.31 122.16 2kl2 h LEU 75 Ca -0.01 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.59 2kl2 h LEU 75 Cb 0.37 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.31 2kl2 h LEU 75 CO 0.02 0.00 -0.60 0.03 -0.62 0.00 0.00 178.44 177.27 2kl2 h ARG 76 N 0.00 0.46 0.33 1.25 3.08 0.00 -2.69 114.38 116.80 2kl2 h ARG 76 Ca 0.04 -0.45 -0.01 0.00 0.07 0.00 0.00 59.98 59.63 2kl2 h ARG 76 Cb 0.17 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2kl2 h ARG 76 CO -0.00 1.10 -0.25 0.35 -1.07 0.00 0.00 179.97 180.10 2kl2 h PHE 77 N -0.02 -0.66 -0.95 3.04 3.57 -0.48 -2.63 116.94 118.82 2kl2 h PHE 77 Ca -0.07 -0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.64 2kl2 h PHE 77 Cb 1.29 0.24 -0.11 0.00 2.79 0.00 0.00 35.95 40.16 2kl2 h PHE 77 CO 0.13 -0.37 0.52 -0.07 -2.23 0.00 0.00 178.31 176.29 2kl2 h LEU 78 N -0.58 0.59 0.00 0.59 4.07 -1.43 0.94 115.31 119.49 2kl2 h LEU 78 Ca -0.03 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.06 2kl2 h LEU 78 Cb 0.50 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.28 2kl2 h LEU 78 CO -0.00 0.14 0.00 -0.67 -1.08 0.00 0.00 178.44 176.83 2kl2 n ASP 79 N -4.89 0.00 0.00 -0.43 2.03 -0.99 -1.45 116.55 110.82 2kl2 n ASP 79 Ca 0.23 -0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2kl2 n ASP 79 Cb 0.62 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 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 -1.06 0.70 -0.12 1.67 2.03 0.27 -4.56 116.55 115.49 2kl2 n ASP 80 Ca 0.07 -1.20 -0.23 0.00 0.52 0.00 0.00 54.79 53.95 2kl2 n ASP 80 Cb 0.04 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.35 2kl2 n ASP 80 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2kl2 n PHE 81 N -0.10 0.00 1.52 -0.67 7.35 -0.53 -4.52 117.46 120.52 2kl2 n PHE 81 Ca 0.00 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.79 2kl2 n PHE 81 Cb 0.22 -0.87 0.61 0.00 0.35 0.00 0.00 39.48 39.79 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 -3.82 0.76 -2.05 -4.13 -0.58 -1.02 -4.84 120.64 104.95 2kl2 n GLU 82 Ca -0.46 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.14 2kl2 n GLU 82 Cb 0.86 -1.42 -0.03 0.00 -0.57 0.00 0.00 31.44 30.28 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 -0.92 -4.28 -4.71 1.62 2.03 -1.26 -4.20 116.55 104.82 2kl2 n ASP 83 Ca 0.15 0.22 -0.31 0.00 0.52 0.00 0.00 54.79 55.37 2kl2 n ASP 83 Cb 0.07 -3.72 0.13 0.00 -0.72 0.00 0.00 41.12 36.88 2kl2 n ASP 83 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kl2 n PRO 85 N -3.78 0.39 0.31 0.00 -0.04 -1.26 -4.80 135.00 125.83 2kl2 n PRO 85 Ca 0.11 0.07 -0.13 0.00 -0.04 0.00 0.00 63.50 63.51 2kl2 n PRO 85 Cb 0.52 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.81 0.00 3.54 0.02 -1.69 -3.39 113.55 111.21 2kl2 h SER 86 Ca 0.00 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 2kl2 h SER 86 Cb 0.13 0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 2kl2 h SER 86 CO 0.00 -0.52 -0.21 0.24 -1.14 0.00 0.00 176.83 175.20 2kl2 h MET 87 N -0.84 0.00 -6.01 3.45 2.86 -1.10 -3.48 114.93 109.81 2kl2 h MET 87 Ca -0.08 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.02 2kl2 h MET 87 Cb 0.66 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.27 2kl2 h MET 87 CO 0.10 0.41 -0.38 0.71 1.06 0.00 0.00 176.91 178.81 2kl2 s TYR 88 N -1.95 2.30 0.12 -0.22 1.51 -1.26 -4.80 117.35 113.05 2kl2 s TYR 88 Ca -0.11 -0.64 0.04 0.00 -1.01 0.00 0.00 57.07 55.35 2kl2 s TYR 88 Cb 0.00 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.78 2kl2 s TYR 88 CO 0.31 -0.16 -0.10 -0.65 -1.11 0.00 0.00 175.55 173.83 2kl2 s GLN 89 N -4.12 0.96 0.28 -0.62 1.11 0.29 -4.03 119.66 113.53 2kl2 s GLN 89 Ca 0.41 -1.31 -0.27 0.00 0.01 0.00 0.00 55.36 54.20 2kl2 s GLN 89 Cb -0.01 -0.59 -0.09 0.00 -1.01 0.00 0.00 33.01 31.31 2kl2 s GLN 89 CO 0.24 0.08 0.92 0.50 0.01 0.00 0.00 175.29 177.04 2kl2 s ARG 90 N -3.28 4.65 0.09 2.91 3.00 -1.26 -0.28 118.95 124.78 2kl2 s ARG 90 Ca 0.11 1.34 -0.05 0.00 -1.00 0.00 0.00 55.73 56.14 2kl2 s ARG 90 Cb -0.00 -2.98 -0.02 0.00 0.00 0.00 0.00 34.95 31.95 2kl2 s ARG 90 CO 0.00 0.38 0.10 0.99 0.00 0.00 0.00 175.30 176.77 2kl2 s THR 91 N -1.45 0.16 -0.17 4.11 2.01 -0.13 -4.90 115.64 115.27 2kl2 s THR 91 Ca 0.46 -1.55 -0.01 0.00 0.31 0.00 0.00 61.69 60.90 2kl2 s THR 91 Cb -0.21 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 70.71 2kl2 s THR 91 CO 0.26 -0.71 -0.11 0.00 -0.69 0.00 0.00 174.62 173.37 2kl2 s ALA 92 N -3.93 2.64 0.00 7.40 0.00 -1.26 -0.98 121.76 125.63 2kl2 s ALA 92 Ca 0.10 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2kl2 s ALA 92 Cb 0.06 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.81 2kl2 s ALA 92 CO -0.07 -0.08 0.00 1.47 0.00 0.00 0.00 175.76 177.08 2kl2 n LEU 93 N 4.13 0.00 -4.65 0.00 -0.00 -1.23 -5.01 117.00 110.23 2kl2 n LEU 93 Ca -0.19 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.48 2kl2 n LEU 93 Cb 0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.84 2kl2 n LEU 93 CO 0.29 0.00 -0.32 -1.58 -0.00 0.00 0.00 177.39 175.78 2kl2 s GLN 94 N -1.10 3.03 -0.02 1.47 2.00 -1.26 -4.01 119.66 119.77 2kl2 s GLN 94 Ca 0.00 -0.43 0.02 0.00 -2.00 0.00 0.00 55.36 52.95 2kl2 s GLN 94 Cb 0.00 -2.78 0.00 0.00 0.80 0.00 0.00 33.01 31.03 2kl2 s GLN 94 CO 0.00 0.65 -0.07 0.08 -0.50 0.00 0.00 175.29 175.45 2kl2 s VAL 95 N -0.75 0.61 0.54 1.34 1.01 -0.34 -4.45 120.40 118.36 2kl2 s VAL 95 Ca 0.12 -0.27 -0.17 0.00 0.00 0.00 0.00 61.98 61.66 2kl2 s VAL 95 Cb -0.11 -0.56 -0.06 0.00 0.00 0.00 0.00 36.38 35.64 2kl2 s VAL 95 CO 0.02 0.20 1.03 -1.58 0.00 0.00 0.00 175.10 174.77 2kl2 s GLN 96 N 0.23 3.66 -0.40 2.72 0.74 0.88 -0.32 119.66 127.18 2kl2 s GLN 96 Ca -0.03 1.16 -0.23 0.00 0.05 0.00 0.00 55.36 56.31 2kl2 s GLN 96 Cb -0.08 -2.09 0.02 0.00 1.10 0.00 0.00 33.01 31.96 2kl2 s GLN 96 CO 0.00 -0.52 0.80 0.08 -0.55 0.00 0.00 175.29 175.10 2kl2 s VAL 97 N -2.38 4.67 -0.39 1.34 1.01 0.91 -2.74 120.40 122.82 2kl2 s VAL 97 Ca 0.63 0.75 0.23 0.00 0.00 0.00 0.00 61.98 63.59 2kl2 s VAL 97 Cb -0.14 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 2kl2 s VAL 97 CO 0.30 -0.56 1.10 0.18 0.00 0.00 0.00 175.10 176.11 2kl2 n LEU 98 N 6.60 0.75 -3.56 3.92 4.32 0.34 -4.89 117.00 124.49 2kl2 n LEU 98 Ca 0.03 0.24 -0.06 0.00 -0.02 0.00 0.00 56.01 56.20 2kl2 n LEU 98 Cb 0.48 -0.10 -0.02 0.00 -1.62 0.00 0.00 43.42 42.17 2kl2 n LEU 98 CO 0.56 -0.11 0.89 -1.61 -1.22 0.00 0.00 177.39 175.90 2kl2 s GLU 99 N -3.29 0.50 -0.09 3.23 2.02 -1.19 -4.77 118.70 115.11 2kl2 s GLU 99 Ca 0.02 -0.18 -0.03 0.00 0.02 0.00 0.00 54.97 54.80 2kl2 s GLU 99 Cb 0.11 0.23 0.05 0.00 0.10 0.00 0.00 34.13 34.62 2kl2 s GLU 99 CO 0.78 -0.22 0.12 -0.46 0.02 0.00 0.00 175.26 175.50 2kl2 s TRP 100 N -2.66 -0.05 -0.64 1.61 -0.11 -1.26 -0.92 118.94 114.91 2kl2 s TRP 100 Ca 0.08 0.33 0.05 0.00 1.22 0.00 0.00 56.10 57.78 2kl2 s TRP 100 Cb -0.01 -0.41 0.32 0.00 -1.50 0.00 0.00 33.47 31.87 2kl2 s TRP 100 CO -0.06 -0.29 0.99 0.39 -4.62 0.00 0.00 176.95 173.35 2kl2 n GLU 101 N 5.31 3.30 0.00 5.86 -0.58 -1.26 -4.84 120.64 128.43 2kl2 n GLU 101 Ca -0.04 -4.81 0.00 0.00 -0.42 0.00 0.00 57.16 51.89 2kl2 n GLU 101 Cb 0.50 -2.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.10 2kl2 n GLU 101 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kl2 n GLY 102 N 0.02 3.95 3.60 0.62 0.00 -1.26 -4.70 105.19 107.42 2kl2 n GLY 102 Ca 0.32 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 2kl2 n GLY 102 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kl2 n ASP 103 N 0.00 0.56 -0.14 1.61 2.03 -1.26 -4.54 116.55 114.81 2kl2 n ASP 103 Ca 0.00 0.81 0.00 0.00 0.52 0.00 0.00 54.79 56.12 2kl2 n ASP 103 Cb 0.00 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.04 2kl2 n ASP 103 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kl2 n GLY 104 N 1.35 0.79 3.32 0.27 0.00 -1.26 -5.08 105.19 104.58 2kl2 n GLY 104 Ca 0.13 -0.73 -0.46 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.04 6.72 0.00 1.61 2.15 -1.26 -4.95 116.67 118.90 2kl2 s ASP 105 Ca 0.00 -2.80 0.19 0.00 0.43 0.00 0.00 52.55 50.38 2kl2 s ASP 105 Cb 0.00 -2.19 1.00 0.00 -0.30 0.00 0.00 42.92 41.43 2kl2 s ASP 105 CO 0.00 -0.53 1.60 -0.81 -0.17 0.00 0.00 175.17 175.26 2kl2 n PRO 106 N 3.81 0.31 0.00 4.34 -0.04 -1.26 -5.02 135.00 137.13 2kl2 n PRO 106 Ca 0.15 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2kl2 n PRO 106 Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.35 -2.85 0.06 0.55 0.00 -1.26 -4.66 105.19 97.39 2kl2 n GLY 107 Ca 0.10 -1.77 0.07 0.00 0.00 0.00 0.00 46.02 44.41 2kl2 n GLY 107 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kl2 n ASP 108 N -0.25 0.26 -4.16 1.61 2.03 -1.26 -4.70 116.55 110.08 2kl2 n ASP 108 Ca 0.00 0.59 -0.10 0.00 0.52 0.00 0.00 54.79 55.80 2kl2 n ASP 108 Cb 0.00 -0.64 -0.10 0.00 -0.72 0.00 0.00 41.12 39.66 2kl2 n ASP 108 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2kl2 s SER 109 N -3.48 0.84 0.05 1.67 1.04 -1.26 -0.06 113.70 112.49 2kl2 s SER 109 Ca 0.02 -1.07 -0.04 0.00 0.48 0.00 0.00 55.95 55.34 2kl2 s SER 109 Cb 0.06 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 2kl2 s SER 109 CO 0.19 -0.57 0.06 0.68 0.98 0.00 0.00 173.24 174.58 2kl2 s VAL 110 N -3.78 0.16 -0.60 5.02 -7.23 0.57 -4.85 120.40 109.69 2kl2 s VAL 110 Ca 0.15 -1.31 -0.17 0.00 -1.81 0.00 0.00 61.98 58.84 2kl2 s VAL 110 Cb 0.07 -1.09 0.13 0.00 0.56 0.00 0.00 36.38 36.04 2kl2 s VAL 110 CO -0.03 -0.72 0.61 -1.58 -0.31 0.00 0.00 175.10 173.06 2kl2 s GLN 111 N -3.08 3.09 0.62 4.82 0.74 -1.26 -1.20 119.66 123.38 2kl2 s GLN 111 Ca -0.01 -1.67 -0.00 0.00 0.05 0.00 0.00 55.36 53.73 2kl2 s GLN 111 Cb 0.02 -4.32 0.06 0.00 1.10 0.00 0.00 33.01 29.87 2kl2 s GLN 111 CO -0.07 -1.40 0.87 0.00 -0.55 0.00 0.00 175.29 174.13 2kl2 s PHE 113 N -2.93 3.86 -0.06 0.00 0.08 -1.22 -3.54 117.98 114.17 2kl2 s PHE 113 Ca 0.60 1.51 -0.00 0.00 0.12 0.00 0.00 56.93 59.17 2kl2 s PHE 113 Cb -0.09 -2.68 0.02 0.00 -0.57 0.00 0.00 43.02 39.71 2kl2 s PHE 113 CO 0.41 0.52 -0.03 0.08 -0.10 0.00 0.00 175.22 176.10 2kl2 s VAL 114 N -1.17 0.49 0.32 -0.44 1.01 -0.16 -2.12 120.40 118.33 2kl2 s VAL 114 Ca 0.34 -0.02 -0.28 0.00 0.00 0.00 0.00 61.98 62.02 2kl2 s VAL 114 Cb -0.22 -0.58 -0.09 0.00 0.00 0.00 0.00 36.38 35.49 2kl2 s VAL 114 CO 0.24 0.25 1.14 -0.31 0.00 0.00 0.00 175.10 176.41 2kl2 s TYR 115 N 1.42 3.39 0.11 5.22 2.02 -1.26 -0.96 117.35 127.29 2kl2 s TYR 115 Ca -0.03 1.63 0.02 0.00 -0.37 0.00 0.00 57.07 58.32 2kl2 s TYR 115 Cb -0.13 -3.35 -0.01 0.00 -0.40 0.00 0.00 41.96 38.07 2kl2 s TYR 115 CO -0.03 -0.88 0.09 0.25 -1.57 0.00 0.00 175.55 173.41 2kl2 n THR 116 N 0.86 0.00 -4.17 -0.71 -2.24 0.62 -4.74 114.28 103.90 2kl2 n THR 116 Ca 0.00 -0.80 -0.16 0.00 -2.27 0.00 0.00 64.05 60.83 2kl2 n THR 116 Cb 0.45 0.38 -0.13 0.00 -2.10 0.00 0.00 70.33 68.93 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 -2.38 0.62 -0.39 4.28 -1.32 -0.60 -0.55 115.64 115.31 2kl2 s THR 117 Ca 0.12 -0.72 0.07 0.00 -1.21 0.00 0.00 61.69 59.95 2kl2 s THR 117 Cb 0.01 -0.60 -0.06 0.00 -1.51 0.00 0.00 72.50 70.34 2kl2 s THR 117 CO 0.09 -0.10 0.34 0.00 -2.21 0.00 0.00 174.62 172.74 2kl2 n ALA 118 N 2.15 2.85 -0.64 11.08 0.00 -1.26 -1.49 120.51 133.19 2kl2 n ALA 118 Ca -0.18 -0.23 0.08 0.00 0.00 0.00 0.00 53.44 53.11 2kl2 n ALA 118 Cb 0.56 -0.25 0.29 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 -0.99 1.83 -1.71 0.00 -2.24 -1.26 -5.04 114.28 104.87 2kl2 n THR 119 Ca 0.02 -1.36 -0.37 0.00 -2.27 0.00 0.00 64.05 60.07 2kl2 n THR 119 Cb 0.11 0.08 0.06 0.00 -2.10 0.00 0.00 70.33 68.49 2kl2 n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kl2 n TYR 120 N 0.50 1.72 -1.56 4.78 0.18 -1.26 -4.99 117.16 116.52 2kl2 n TYR 120 Ca 0.21 0.42 -0.34 0.00 1.88 0.00 0.00 57.90 60.08 2kl2 n TYR 120 Cb 0.81 -2.25 0.07 0.00 -0.38 0.00 0.00 39.34 37.59 2kl2 n TYR 120 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2kl2 s ALA 121 N -1.41 2.26 0.30 -3.48 0.00 -1.26 -4.97 121.76 113.21 2kl2 s ALA 121 Ca 0.81 0.73 0.10 0.00 0.00 0.00 0.00 51.96 53.59 2kl2 s ALA 121 Cb -0.39 -3.40 0.48 0.00 0.00 0.00 0.00 23.12 19.81 2kl2 s ALA 121 CO 0.42 -1.62 1.69 -1.00 0.00 0.00 0.00 175.76 175.25 2kl2 h PRO 122 N -0.17 0.08 -0.02 0.00 0.13 -2.03 -2.61 132.00 127.36 2kl2 h PRO 122 Ca -0.47 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2kl2 h PRO 122 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2kl2 h PRO 122 CO 0.51 0.56 -0.04 1.05 -0.23 0.00 0.00 178.00 179.85 2kl2 h GLU 123 N 0.06 0.03 0.00 0.86 4.11 -2.02 -3.03 114.58 114.59 2kl2 h GLU 123 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2kl2 h GLU 123 Cb 0.90 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2kl2 h GLU 123 CO 0.07 0.08 0.00 -1.49 0.07 0.00 0.00 179.01 177.73 2kl2 h TRP 124 N 0.03 0.00 0.00 2.06 4.06 -1.84 -0.46 115.95 119.80 2kl2 h TRP 124 Ca 0.01 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.94 2kl2 h TRP 124 Cb 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.25 2kl2 h TRP 124 CO 0.00 0.00 -0.10 -0.07 -3.56 0.00 0.00 178.44 174.71 2kl2 h LEU 125 N 0.00 0.00 0.00 -4.49 -0.00 -1.67 -3.23 115.31 105.92 2kl2 h LEU 125 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kl2 h LEU 125 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 2kl2 h LEU 125 CO 0.00 0.10 -0.59 -0.26 -0.00 0.00 0.00 178.44 177.69 2kl2 h PHE 126 N 0.00 0.00 -4.12 1.13 0.04 -1.23 -3.48 116.94 109.29 2kl2 h PHE 126 Ca -0.00 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.24 2kl2 h PHE 126 Cb 0.84 0.00 0.11 0.00 2.20 0.00 0.00 35.95 39.10 2kl2 h PHE 126 CO 0.00 0.00 0.45 -0.51 -0.60 0.00 0.00 178.31 177.65 2kl2 s LEU 127 N -5.48 3.60 0.44 1.54 1.43 -1.19 -4.99 118.68 114.02 2kl2 s LEU 127 Ca 0.03 2.32 -0.23 0.00 -1.03 0.00 0.00 54.13 55.22 2kl2 s LEU 127 Cb 0.09 -4.59 -0.08 0.00 0.03 0.00 0.00 46.19 41.64 2kl2 s LEU 127 CO 0.74 -1.65 1.15 -2.16 0.23 0.00 0.00 176.35 174.65 2kl2 s PRO 128 N -3.48 3.86 0.56 1.29 0.04 -1.26 -5.03 135.00 130.98 2kl2 s PRO 128 Ca 0.76 1.74 -0.05 0.00 0.04 0.00 0.00 61.00 63.49 2kl2 s PRO 128 Cb -0.29 -2.47 -0.00 0.00 0.04 0.00 0.00 34.50 31.79 2kl2 s PRO 128 CO 0.35 -0.46 0.86 0.71 0.04 0.00 0.00 177.00 178.50 2kl2 s TYR 129 N -1.54 3.32 0.09 0.56 2.02 -1.26 -4.72 117.35 115.82 2kl2 s TYR 129 Ca 0.62 0.66 0.01 0.00 -0.37 0.00 0.00 57.07 57.98 2kl2 s TYR 129 Cb -0.28 -2.61 -0.04 0.00 -0.40 0.00 0.00 41.96 38.63 2kl2 s TYR 129 CO 0.34 -0.67 -0.05 -1.01 -1.57 0.00 0.00 175.55 172.59 2kl2 s HIS 130 N -2.91 0.80 -1.85 2.71 3.76 -0.63 -5.02 115.29 112.15 2kl2 s HIS 130 Ca 0.52 -0.97 0.23 0.00 -0.15 0.00 0.00 55.06 54.70 2kl2 s HIS 130 Cb -0.10 -0.49 0.16 0.00 1.11 0.00 0.00 32.58 33.26 2kl2 s HIS 130 CO 0.45 -0.22 1.19 0.39 -0.85 0.00 0.00 174.74 175.69 2kl2 n GLU 131 N -0.01 0.98 -2.78 1.40 1.02 -1.26 -4.39 120.64 115.60 2kl2 n GLU 131 Ca -0.12 -0.76 -0.01 0.00 -0.02 0.00 0.00 57.16 56.24 2kl2 n GLU 131 Cb 0.61 -1.48 0.01 0.00 -0.02 0.00 0.00 31.44 30.56 2kl2 n GLU 131 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2kl2 n SER 132 N -0.34 -0.91 -2.78 1.62 3.41 -1.26 -0.53 113.62 112.82 2kl2 n SER 132 Ca 0.09 -1.46 -0.10 0.00 -0.26 0.00 0.00 58.87 57.15 2kl2 n SER 132 Cb 0.43 1.48 0.07 0.00 -0.26 0.00 0.00 64.21 65.93 2kl2 n SER 132 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kl2 n TYR 133 N -0.40 -2.66 -4.12 7.33 0.18 -1.26 -5.00 117.16 111.23 2kl2 n TYR 133 Ca -0.01 -2.23 -0.34 0.00 1.88 0.00 0.00 57.90 57.20 2kl2 n TYR 133 Cb 0.32 1.42 -0.14 0.00 -0.38 0.00 0.00 39.34 40.56 2kl2 n TYR 133 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2kl2 s ASP 134 N -1.43 4.30 0.46 9.48 1.11 -1.26 -4.62 116.67 124.70 2kl2 s ASP 134 Ca 0.25 -0.35 0.13 0.00 0.18 0.00 0.00 52.55 52.76 2kl2 s ASP 134 Cb 0.28 -1.72 1.08 0.00 1.07 0.00 0.00 42.92 43.63 2kl2 s ASP 134 CO -0.09 0.03 2.08 -1.28 1.18 0.00 0.00 175.17 177.10 2kl2 h SER 135 N 7.70 0.24 -0.42 0.27 0.87 -1.90 0.40 113.55 120.71 2kl2 h SER 135 Ca -0.38 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2kl2 h SER 135 Cb 1.17 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2kl2 h SER 135 CO 0.60 0.17 0.00 -1.84 -0.53 0.00 0.00 176.83 175.23 2kl2 n GLU 136 N -4.49 2.24 -1.09 2.24 0.28 -1.26 -4.94 120.64 113.62 2kl2 n GLU 136 Ca 0.02 -1.63 -0.29 0.00 -0.16 0.00 0.00 57.16 55.10 2kl2 n GLU 136 Cb 0.15 -1.45 0.17 0.00 1.43 0.00 0.00 31.44 31.74 2kl2 n GLU 136 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2kl2 s GLY 137 N -0.90 1.59 0.00 -1.84 0.00 0.13 -4.94 107.32 101.36 2kl2 s GLY 137 Ca 0.30 -0.16 0.20 0.00 0.00 0.00 0.00 44.72 45.05 2kl2 s GLY 137 CO 0.18 0.40 1.62 -1.55 0.00 0.00 0.00 173.10 173.76 2kl2 n PRO 138 N -4.14 0.03 0.19 2.90 -0.04 -1.26 -4.06 135.00 128.62 2kl2 n PRO 138 Ca 0.06 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.80 2kl2 n PRO 138 Cb 0.56 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.92 -3.47 115.15 114.17 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 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 2kl2 h HIS 139 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 2kl2 n GLY 140 N 1.16 2.58 3.56 2.45 0.00 -1.26 -4.96 105.19 108.72 2kl2 n GLY 140 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2kl2 n GLY 140 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kl2 s LEU 141 N 0.00 3.30 -0.03 0.99 0.05 -1.26 -4.99 118.68 116.74 2kl2 s LEU 141 Ca 0.00 0.24 0.05 0.00 0.05 0.00 0.00 54.13 54.48 2kl2 s LEU 141 Cb 0.00 -2.69 -0.01 0.00 -2.05 0.00 0.00 46.19 41.44 2kl2 s LEU 141 CO 0.00 -2.12 -0.19 -0.13 -0.55 0.00 0.00 176.35 173.37 2kl2 s ARG 142 N 6.44 1.67 0.58 1.48 1.81 -1.26 -4.88 118.95 124.79 2kl2 s ARG 142 Ca 0.59 -0.67 -0.20 0.00 -1.72 0.00 0.00 55.73 53.74 2kl2 s ARG 142 Cb -0.12 -1.54 -0.04 0.00 -0.45 0.00 0.00 34.95 32.79 2kl2 s ARG 142 CO 0.21 0.35 1.21 0.98 -0.68 0.00 0.00 175.30 177.37 2kl2 n TYR 143 N 2.81 1.70 -3.59 -0.53 9.36 -1.26 -4.57 117.16 121.08 2kl2 n TYR 143 Ca -0.16 0.44 -0.28 0.00 3.32 0.00 0.00 57.90 61.21 2kl2 n TYR 143 Cb 0.53 -2.26 -0.12 0.00 -0.63 0.00 0.00 39.34 36.86 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 -1.13 3.02 0.00 2.98 0.01 -1.07 -4.97 114.94 113.77 2kl2 s ASN 144 Ca 0.75 -2.86 0.10 0.00 -0.71 0.00 0.00 52.86 50.14 2kl2 s ASN 144 Cb -0.42 -0.82 0.57 0.00 0.41 0.00 0.00 41.25 40.99 2kl2 s ASN 144 CO 0.47 -0.22 1.03 -0.81 -1.51 0.00 0.00 177.10 176.05 2kl2 n PRO 145 N 3.19 0.53 -3.44 -0.60 -0.04 -1.26 -4.87 135.00 128.51 2kl2 n PRO 145 Ca 0.17 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.44 2kl2 n PRO 145 Cb 0.39 -1.28 0.08 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.78 -6.88 -0.13 0.54 0.63 -1.26 -4.92 116.66 103.85 2kl2 n ARG 146 Ca 0.07 0.76 -0.05 0.00 -0.92 0.00 0.00 57.85 57.72 2kl2 n ARG 146 Cb 0.03 -5.58 0.04 0.00 0.45 0.00 0.00 32.46 27.40 2kl2 n ARG 146 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2kl2 h GLU 147 N -2.23 0.31 -0.05 -0.14 5.08 -2.01 -3.33 114.58 112.22 2kl2 h GLU 147 Ca -0.53 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 57.64 2kl2 h GLU 147 Cb 1.33 -0.07 -0.35 0.00 0.50 0.00 0.00 28.75 30.16 2kl2 h GLU 147 CO 0.49 0.21 -0.92 0.27 -1.00 0.00 0.00 179.01 178.06 2kl2 n ASN 148 N -5.01 0.71 0.00 1.42 0.23 -1.26 -5.32 115.26 106.04 2kl2 n ASN 148 Ca 0.03 -2.01 0.00 0.00 -0.53 0.00 0.00 54.58 52.07 2kl2 n ASN 148 Cb 0.16 -0.21 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 2kl2 n ASN 148 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19