#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 2.48 -0.15 3.17 0.00 -0.31 -5.00 121.76 121.95 2kl2 s ALA 2 Ca 0.00 -1.36 -0.28 0.00 0.00 0.00 0.00 51.96 50.32 2kl2 s ALA 2 Cb 0.00 -1.39 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 2kl2 s ALA 2 CO 0.00 -0.60 0.95 -1.01 0.00 0.00 0.00 175.76 175.10 2kl2 s HIS 3 N 1.27 3.46 0.30 0.00 0.09 -1.26 -1.55 115.29 117.59 2kl2 s HIS 3 Ca 0.02 1.46 0.01 0.00 -0.00 0.00 0.00 55.06 56.55 2kl2 s HIS 3 Cb -0.15 -3.14 -0.00 0.00 -0.00 0.00 0.00 32.58 29.28 2kl2 s HIS 3 CO -0.09 -0.27 0.03 0.44 -0.00 0.00 0.00 174.74 174.85 2kl2 n ILE 4 N 4.73 0.00 -4.53 0.60 -5.35 -0.80 -4.14 119.36 109.88 2kl2 n ILE 4 Ca 0.08 -1.50 -0.24 0.00 -0.27 0.00 0.00 62.75 60.81 2kl2 n ILE 4 Cb 0.48 0.39 -0.11 0.00 -1.74 0.00 0.00 39.64 38.66 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 -2.28 2.22 0.16 4.28 5.36 -1.13 -3.16 117.98 123.44 2kl2 s PHE 5 Ca 0.05 -0.80 0.10 0.00 -0.96 0.00 0.00 56.93 55.31 2kl2 s PHE 5 Cb 0.00 -1.49 -0.04 0.00 -0.34 0.00 0.00 43.02 41.15 2kl2 s PHE 5 CO 0.03 0.24 -0.21 0.54 -1.46 0.00 0.00 175.22 174.36 2kl2 s VAL 6 N -3.00 2.02 -0.16 3.12 0.11 -1.20 -4.81 120.40 116.47 2kl2 s VAL 6 Ca 0.35 -1.88 -0.06 0.00 -2.93 0.00 0.00 61.98 57.46 2kl2 s VAL 6 Cb 0.09 -1.90 -0.23 0.00 -1.53 0.00 0.00 36.38 32.80 2kl2 s VAL 6 CO 0.16 -0.17 0.21 -1.22 -3.33 0.00 0.00 175.10 170.75 2kl2 n TYR 7 N 0.47 0.94 0.00 1.54 4.01 -1.26 -4.61 117.16 118.25 2kl2 n TYR 7 Ca -0.14 0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 2kl2 n TYR 7 Cb 0.56 -1.12 0.00 0.00 -0.31 0.00 0.00 39.34 38.47 2kl2 n TYR 7 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kl2 n GLY 8 N 1.99 0.00 0.23 2.72 0.00 -1.26 -4.44 105.19 104.42 2kl2 n GLY 8 Ca -0.36 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.72 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 1.13 -2.21 2.61 1.35 -1.92 -2.92 112.91 110.95 2kl2 h THR 9 Ca 0.00 -0.60 -0.57 0.00 -0.55 0.00 0.00 66.41 64.69 2kl2 h THR 9 Cb 0.00 1.30 -0.41 0.00 -1.73 0.00 0.00 68.15 67.31 2kl2 h THR 9 CO 0.00 0.17 -0.77 0.18 -0.25 0.00 0.00 175.52 174.85 2kl2 n LEU 10 N -4.33 3.52 0.00 3.87 4.32 -1.26 -3.65 117.00 119.47 2kl2 n LEU 10 Ca -0.02 -5.49 0.00 0.00 -0.02 0.00 0.00 56.01 50.47 2kl2 n LEU 10 Cb 0.24 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 2kl2 n LEU 10 CO 0.36 2.31 0.00 1.17 -1.22 0.00 0.00 177.39 180.02 2kl2 n LYS 11 N 0.00 0.00 0.19 3.23 4.81 -1.11 -4.83 118.16 120.46 2kl2 n LYS 11 Ca 0.29 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.59 2kl2 n LYS 11 Cb 0.45 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.42 2kl2 n LYS 11 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kl2 h ARG 12 N 0.00 -0.43 0.00 1.64 2.47 -1.79 -3.44 114.38 112.83 2kl2 h ARG 12 Ca 0.00 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2kl2 h ARG 12 Cb 0.00 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 2kl2 h ARG 12 CO 0.00 -0.22 0.00 0.41 0.56 0.00 0.00 179.97 180.72 2kl2 n GLY 13 N -1.01 0.00 3.72 0.04 0.00 -1.26 -5.04 105.19 101.64 2kl2 n GLY 13 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 2.00 0.16 1.61 1.11 -1.26 -4.89 119.66 118.38 2kl2 s GLN 14 Ca 0.00 1.64 0.16 0.00 0.01 0.00 0.00 55.36 57.17 2kl2 s GLN 14 Cb 0.00 -1.83 0.73 0.00 -1.01 0.00 0.00 33.01 30.90 2kl2 s GLN 14 CO 0.00 -1.92 1.49 -0.35 0.01 0.00 0.00 175.29 174.52 2kl2 n PRO 15 N -3.04 0.09 -0.81 2.91 -0.04 -1.26 -2.56 135.00 130.29 2kl2 n PRO 15 Ca 0.12 0.45 -0.06 0.00 -0.04 0.00 0.00 63.50 63.97 2kl2 n PRO 15 Cb 0.51 -1.73 0.22 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.91 4.10 0.02 3.54 3.02 -1.25 -4.38 115.26 118.40 2kl2 n ASN 16 Ca 0.01 -2.96 -0.08 0.00 -0.03 0.00 0.00 54.58 51.51 2kl2 n ASN 16 Cb 0.12 -0.70 -0.06 0.00 -0.61 0.00 0.00 39.78 38.52 2kl2 n ASN 16 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 2kl2 h HIS 17 N 1.91 -0.15 -0.20 3.10 2.76 -1.56 -3.38 115.15 117.63 2kl2 h HIS 17 Ca 0.24 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.47 2kl2 h HIS 17 Cb 2.03 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 31.03 2kl2 h HIS 17 CO 1.02 0.25 0.29 1.57 -1.30 0.00 0.00 177.93 179.77 2kl2 h LYS 18 N -0.95 0.00 -0.48 5.26 -0.00 -1.88 -1.47 116.57 117.05 2kl2 h LYS 18 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.64 2kl2 h LYS 18 Cb 0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.67 2kl2 h LYS 18 CO 0.03 0.00 0.31 -0.39 -0.00 0.00 0.00 179.45 179.40 2kl2 h VAL 19 N 0.00 1.13 0.00 0.07 -1.51 -1.88 -0.88 116.25 113.18 2kl2 h VAL 19 Ca 0.10 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 2kl2 h VAL 19 Cb 0.68 0.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 2kl2 h VAL 19 CO -0.00 0.13 0.00 1.15 -1.23 0.00 0.00 177.57 177.62 2kl2 n MET 20 N -4.46 0.20 -0.13 5.19 0.00 -0.55 -2.57 117.12 114.80 2kl2 n MET 20 Ca 0.04 0.05 0.08 0.00 0.00 0.00 0.00 57.70 57.88 2kl2 n MET 20 Cb 0.06 -1.50 0.27 0.00 0.00 0.00 0.00 33.22 32.05 2kl2 n MET 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2kl2 n LEU 21 N -1.38 1.75 -4.16 3.17 4.77 -0.34 -4.22 117.00 116.59 2kl2 n LEU 21 Ca 0.09 -0.80 -0.38 0.00 -0.03 0.00 0.00 56.01 54.89 2kl2 n LEU 21 Cb 0.25 -0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 2kl2 n LEU 21 CO 0.21 0.40 -0.06 -1.81 -1.33 0.00 0.00 177.39 174.80 2kl2 s ASP 22 N -1.30 5.47 0.64 -1.43 1.01 -1.06 -4.95 116.67 115.05 2kl2 s ASP 22 Ca 0.28 -2.13 0.39 0.00 0.71 0.00 0.00 52.55 51.80 2kl2 s ASP 22 Cb 0.15 -1.91 2.18 0.00 1.01 0.00 0.00 42.92 44.34 2kl2 s ASP 22 CO 0.21 -0.58 2.30 -0.74 0.21 0.00 0.00 175.17 176.58 2kl2 h HIS 23 N 8.05 0.00 0.00 4.23 2.76 -1.83 0.17 115.15 128.52 2kl2 h HIS 23 Ca -0.14 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 57.93 2kl2 h HIS 23 Cb 1.04 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.99 2kl2 h HIS 23 CO 0.62 0.00 -0.47 1.03 -1.30 0.00 0.00 177.93 177.81 2kl2 h SER 24 N 0.00 0.00 0.80 3.26 0.87 -1.95 -2.54 113.55 113.99 2kl2 h SER 24 Ca 0.01 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.33 2kl2 h SER 24 Cb 0.07 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2kl2 h SER 24 CO -0.00 0.47 -1.09 0.45 -0.53 0.00 0.00 176.83 176.13 2kl2 h HIS 25 N 0.00 0.25 0.00 2.24 3.86 -1.30 -3.50 115.15 116.69 2kl2 h HIS 25 Ca -0.00 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 2kl2 h HIS 25 Cb 0.88 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.34 2kl2 h HIS 25 CO 0.00 1.12 0.00 0.41 0.86 0.00 0.00 177.93 180.32 2kl2 n GLY 26 N 1.38 0.50 3.73 2.45 0.00 -0.73 -3.51 105.19 109.01 2kl2 n GLY 26 Ca -0.04 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 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 4.45 -0.03 0.99 2.96 -1.26 -3.87 118.68 121.91 2kl2 s LEU 27 Ca 0.00 2.10 -0.05 0.00 -0.22 0.00 0.00 54.13 55.96 2kl2 s LEU 27 Cb 0.00 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 43.10 2kl2 s LEU 27 CO 0.00 -0.32 0.13 0.00 -1.32 0.00 0.00 176.35 174.83 2kl2 s ALA 28 N 0.17 -0.30 -0.02 5.97 0.00 -1.26 -3.33 121.76 122.98 2kl2 s ALA 28 Ca 0.53 0.17 -0.19 0.00 0.00 0.00 0.00 51.96 52.47 2kl2 s ALA 28 Cb -0.30 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 22.75 2kl2 s ALA 28 CO 0.34 -0.11 0.40 0.00 0.00 0.00 0.00 175.76 176.38 2kl2 s ALA 29 N -0.46 -1.02 -0.39 0.00 0.00 -0.61 -4.94 121.76 114.35 2kl2 s ALA 29 Ca -0.05 0.56 -0.27 0.00 0.00 0.00 0.00 51.96 52.20 2kl2 s ALA 29 Cb -0.04 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 2kl2 s ALA 29 CO 0.01 -0.29 2.21 0.12 0.00 0.00 0.00 175.76 177.81 2kl2 s PHE 30 N -1.28 1.26 -0.58 0.00 5.36 -1.26 -1.75 117.98 119.72 2kl2 s PHE 30 Ca -0.13 1.01 0.06 0.00 -0.96 0.00 0.00 56.93 56.91 2kl2 s PHE 30 Cb -0.04 -3.82 0.27 0.00 -0.34 0.00 0.00 43.02 39.09 2kl2 s PHE 30 CO 0.06 -3.10 0.75 -2.13 -1.46 0.00 0.00 175.22 169.34 2kl2 n ARG 31 N 8.87 2.35 0.00 10.12 3.00 -0.66 -4.89 116.66 135.45 2kl2 n ARG 31 Ca 0.31 -4.46 0.00 0.00 -0.00 0.00 0.00 57.85 53.70 2kl2 n ARG 31 Cb 0.50 -2.09 0.00 0.00 0.00 0.00 0.00 32.46 30.87 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 0.70 -2.07 3.25 5.14 0.00 -1.26 -4.54 105.19 106.42 2kl2 n GLY 32 Ca 0.29 -1.60 -0.15 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.09 1.06 0.29 1.61 0.52 -0.46 -1.85 118.95 120.03 2kl2 s ARG 33 Ca 0.00 -1.41 -0.20 0.00 -0.52 0.00 0.00 55.73 53.60 2kl2 s ARG 33 Cb 0.00 -0.69 0.05 0.00 0.52 0.00 0.00 34.95 34.83 2kl2 s ARG 33 CO 0.00 0.10 0.82 0.20 0.02 0.00 0.00 175.30 176.44 2kl2 s GLY 34 N -3.03 0.07 -0.00 -3.53 0.00 -1.12 -0.54 107.32 99.17 2kl2 s GLY 34 Ca 0.15 -0.39 -0.02 0.00 0.00 0.00 0.00 44.72 44.45 2kl2 s GLY 34 CO 0.01 0.12 0.04 0.00 0.00 0.00 0.00 173.10 173.28 2kl2 s THR 36 N -0.84 3.50 0.25 0.00 -4.23 -0.26 -1.04 115.64 113.02 2kl2 s THR 36 Ca -0.09 -0.23 -0.04 0.00 -1.18 0.00 0.00 61.69 60.15 2kl2 s THR 36 Cb -0.06 -4.17 0.16 0.00 1.34 0.00 0.00 72.50 69.77 2kl2 s THR 36 CO -0.00 -1.12 1.81 -0.37 -0.54 0.00 0.00 174.62 174.40 2kl2 h VAL 37 N 7.03 1.24 -2.42 2.29 -1.51 -1.87 -3.02 116.25 118.00 2kl2 h VAL 37 Ca -0.00 -0.81 -0.55 0.00 -1.23 0.00 0.00 66.70 64.11 2kl2 h VAL 37 Cb 1.05 0.48 0.01 0.00 -2.13 0.00 0.00 31.29 30.69 2kl2 h VAL 37 CO 1.24 0.32 1.22 -0.70 -1.23 0.00 0.00 177.57 178.42 2kl2 s GLU 38 N -5.39 3.99 0.52 5.19 2.56 -1.26 -4.67 118.70 119.64 2kl2 s GLU 38 Ca -0.11 2.34 -0.22 0.00 0.00 0.00 0.00 54.97 56.98 2kl2 s GLU 38 Cb 0.16 -4.13 -0.06 0.00 2.00 0.00 0.00 34.13 32.10 2kl2 s GLU 38 CO 0.82 -1.11 1.34 -1.12 -0.56 0.00 0.00 175.26 174.63 2kl2 s SER 39 N 4.65 5.45 0.07 -1.70 0.01 -1.26 -4.68 113.70 116.24 2kl2 s SER 39 Ca 0.85 2.73 -0.02 0.00 1.31 0.00 0.00 55.95 60.81 2kl2 s SER 39 Cb -0.37 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.19 2kl2 s SER 39 CO 0.37 -1.44 0.02 -0.36 0.41 0.00 0.00 173.24 172.23 2kl2 s PHE 40 N -1.32 0.49 -1.50 2.43 0.08 -0.36 -0.50 117.98 117.31 2kl2 s PHE 40 Ca 0.69 -1.00 -0.13 0.00 0.12 0.00 0.00 56.93 56.61 2kl2 s PHE 40 Cb -0.39 -0.34 0.01 0.00 -0.57 0.00 0.00 43.02 41.73 2kl2 s PHE 40 CO 0.47 -0.43 2.41 -2.30 -0.10 0.00 0.00 175.22 175.27 2kl2 n PRO 41 N 0.06 3.09 -2.19 0.24 -0.02 -0.90 -2.95 135.00 132.33 2kl2 n PRO 41 Ca -0.13 -2.53 -0.38 0.00 -2.02 0.00 0.00 63.50 58.44 2kl2 n PRO 41 Cb 0.62 -3.16 -0.03 0.00 -0.02 0.00 0.00 33.50 30.91 2kl2 n PRO 41 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2kl2 s LEU 42 N 1.61 3.25 -0.12 2.45 2.96 -1.22 -3.78 118.68 123.84 2kl2 s LEU 42 Ca 0.53 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.43 2kl2 s LEU 42 Cb 0.15 -2.54 0.01 0.00 0.50 0.00 0.00 46.19 44.31 2kl2 s LEU 42 CO -0.08 -2.25 -0.20 0.68 -1.32 0.00 0.00 176.35 173.18 2kl2 s VAL 43 N 8.19 1.88 -0.31 1.68 -7.23 -0.58 -2.06 120.40 121.97 2kl2 s VAL 43 Ca 0.59 -0.89 -0.29 0.00 -1.81 0.00 0.00 61.98 59.58 2kl2 s VAL 43 Cb -0.10 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 2kl2 s VAL 43 CO 0.16 0.52 1.66 -0.63 -0.31 0.00 0.00 175.10 176.50 2kl2 s ILE 44 N 0.72 3.63 0.41 -0.62 1.01 -1.26 -2.50 121.20 122.58 2kl2 s ILE 44 Ca -0.11 0.67 0.03 0.00 0.00 0.00 0.00 60.65 61.25 2kl2 s ILE 44 Cb -0.16 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 2kl2 s ILE 44 CO 0.01 -0.43 0.07 0.00 0.00 0.00 0.00 174.94 174.59 2kl2 s ALA 45 N 6.03 3.08 0.00 9.38 0.00 -1.14 -4.93 121.76 134.18 2kl2 s ALA 45 Ca 0.74 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2kl2 s ALA 45 Cb -0.22 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.39 2kl2 s ALA 45 CO 0.32 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.26 2kl2 n GLY 46 N -0.94 -2.74 0.24 0.00 0.00 -1.26 -1.21 105.19 99.28 2kl2 n GLY 46 Ca -0.08 -1.34 0.12 0.00 0.00 0.00 0.00 46.02 44.72 2kl2 n GLY 46 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kl2 h GLU 47 N 0.00 0.00 -0.59 1.61 4.81 -2.00 -2.62 114.58 115.79 2kl2 h GLU 47 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kl2 h GLU 47 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2kl2 h GLU 47 CO 0.00 0.17 0.00 0.72 -0.73 0.00 0.00 179.01 179.17 2kl2 n HIS 48 N -3.38 0.98 -3.04 0.92 8.25 -1.26 -4.92 115.22 112.77 2kl2 n HIS 48 Ca -0.00 -0.42 -0.13 0.00 -0.26 0.00 0.00 57.72 56.91 2kl2 n HIS 48 Cb 0.38 -0.13 0.06 0.00 1.12 0.00 0.00 29.99 31.42 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 0.88 -4.66 -4.19 0.41 4.13 -0.99 -2.84 115.26 108.00 2kl2 n ASN 49 Ca 0.19 -0.57 -0.40 0.00 1.68 0.00 0.00 54.58 55.47 2kl2 n ASN 49 Cb 0.61 -4.44 -0.06 0.00 -1.54 0.00 0.00 39.78 34.36 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 -3.32 4.59 0.32 2.41 1.01 -0.35 -4.25 121.20 121.63 2kl2 s ILE 50 Ca 0.26 -2.99 -0.28 0.00 0.00 0.00 0.00 60.65 57.64 2kl2 s ILE 50 Cb -0.03 -3.89 -0.13 0.00 0.01 0.00 0.00 42.46 38.42 2kl2 s ILE 50 CO 0.62 -0.98 1.23 -0.81 0.00 0.00 0.00 174.94 174.99 2kl2 n PRO 51 N 3.39 1.94 -4.60 2.79 -0.04 -1.26 -2.87 135.00 134.35 2kl2 n PRO 51 Ca 0.13 0.68 -0.27 0.00 -0.04 0.00 0.00 63.50 64.01 2kl2 n PRO 51 Cb 0.41 -2.22 -0.14 0.00 -0.04 0.00 0.00 33.50 31.51 2kl2 n PRO 51 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2kl2 s TRP 52 N -1.04 1.96 -1.21 0.54 0.52 -1.04 -4.93 118.94 113.74 2kl2 s TRP 52 Ca 0.57 -0.39 0.22 0.00 0.02 0.00 0.00 56.10 56.52 2kl2 s TRP 52 Cb -0.60 -1.14 0.03 0.00 -1.15 0.00 0.00 33.47 30.61 2kl2 s TRP 52 CO 0.61 0.15 1.09 -0.11 0.02 0.00 0.00 176.95 178.71 2kl2 n LEU 53 N 1.59 1.05 0.00 2.99 -0.00 -1.26 -1.53 117.00 119.84 2kl2 n LEU 53 Ca -0.18 -0.41 0.00 0.00 -0.00 0.00 0.00 56.01 55.42 2kl2 n LEU 53 Cb 0.53 -0.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 2kl2 n LEU 53 CO 0.23 0.24 0.00 0.18 -0.00 0.00 0.00 177.39 178.04 2kl2 n LEU 54 N -1.21 0.00 -3.69 -1.96 4.77 -1.25 -2.12 117.00 111.53 2kl2 n LEU 54 Ca 0.06 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.74 2kl2 n LEU 54 Cb 0.35 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.31 2kl2 n LEU 54 CO 0.38 -0.12 -0.27 -0.47 -1.33 0.00 0.00 177.39 175.58 2kl2 s TYR 55 N 0.00 1.83 -0.42 -1.77 5.04 -0.74 -4.06 117.35 117.23 2kl2 s TYR 55 Ca 0.00 -2.25 0.05 0.00 -2.44 0.00 0.00 57.07 52.43 2kl2 s TYR 55 Cb 0.00 -1.78 0.17 0.00 0.35 0.00 0.00 41.96 40.70 2kl2 s TYR 55 CO 0.00 -0.80 0.48 -1.17 -1.34 0.00 0.00 175.55 172.72 2kl2 s LEU 56 N 0.61 -0.25 0.28 6.97 0.20 -1.26 -4.96 118.68 120.27 2kl2 s LEU 56 Ca 0.16 -1.84 -0.30 0.00 0.69 0.00 0.00 54.13 52.85 2kl2 s LEU 56 Cb -0.23 0.83 -0.12 0.00 -0.43 0.00 0.00 46.19 46.24 2kl2 s LEU 56 CO -0.03 -0.18 1.62 -0.81 -0.29 0.00 0.00 176.35 176.66 2kl2 n PRO 57 N 3.67 2.73 -0.81 0.98 -0.04 -1.26 -2.36 135.00 137.90 2kl2 n PRO 57 Ca 0.17 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.60 2kl2 n PRO 57 Cb 0.50 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 2kl2 n PRO 57 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kl2 n GLY 58 N 2.41 0.59 3.37 0.55 0.00 0.34 -4.93 105.19 107.52 2kl2 n GLY 58 Ca 0.10 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.25 1.38 4.18 1.61 2.47 -0.99 -4.88 119.74 123.26 2kl2 s LYS 59 Ca 0.00 -1.46 0.00 0.00 -1.56 0.00 0.00 55.97 52.95 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 0.32 0.00 0.41 0.16 0.00 0.00 175.35 176.24 2kl2 n GLY 60 N 0.25 1.00 3.45 5.54 0.00 -1.26 -1.27 105.19 112.90 2kl2 n GLY 60 Ca -0.13 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 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 1.99 1.20 1.61 3.76 -1.15 -4.63 115.29 118.06 2kl2 s HIS 61 Ca 0.00 -0.91 -0.13 0.00 -0.15 0.00 0.00 55.06 53.87 2kl2 s HIS 61 Cb 0.00 -1.29 0.30 0.00 1.11 0.00 0.00 32.58 32.70 2kl2 s HIS 61 CO 0.00 0.06 0.99 0.00 -0.85 0.00 0.00 174.74 174.94 2kl2 s VAL 63 N -2.38 0.39 0.59 0.00 1.01 -1.14 -4.26 120.40 114.60 2kl2 s VAL 63 Ca 0.69 0.02 -0.16 0.00 0.00 0.00 0.00 61.98 62.53 2kl2 s VAL 63 Cb -0.26 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2kl2 s VAL 63 CO 0.66 0.18 1.05 0.42 0.00 0.00 0.00 175.10 177.41 2kl2 s THR 64 N 1.96 3.87 0.00 3.92 -4.23 -0.98 -1.10 115.64 119.08 2kl2 s THR 64 Ca 0.04 0.88 0.00 0.00 -1.18 0.00 0.00 61.69 61.43 2kl2 s THR 64 Cb -0.13 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.30 2kl2 s THR 64 CO -0.06 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.11 2kl2 n GLY 65 N -1.05 1.27 3.51 3.99 0.00 -0.38 -4.82 105.19 107.71 2kl2 n GLY 65 Ca 0.09 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 2kl2 n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kl2 s GLU 66 N -0.49 1.82 -0.19 1.61 8.01 -1.26 -2.79 118.70 125.41 2kl2 s GLU 66 Ca 0.00 -1.52 -0.09 0.00 0.01 0.00 0.00 54.97 53.37 2kl2 s GLU 66 Cb 0.00 -1.95 -0.05 0.00 -4.31 0.00 0.00 34.13 27.83 2kl2 s GLU 66 CO 0.00 0.38 0.11 0.42 0.01 0.00 0.00 175.26 176.18 2kl2 s ILE 67 N -2.02 5.19 -0.19 -1.63 1.01 -0.77 -3.25 121.20 119.53 2kl2 s ILE 67 Ca 0.26 0.11 -0.01 0.00 0.00 0.00 0.00 60.65 61.01 2kl2 s ILE 67 Cb -0.07 -3.35 0.01 0.00 0.01 0.00 0.00 42.46 39.05 2kl2 s ILE 67 CO 0.14 0.45 -0.13 -0.31 0.00 0.00 0.00 174.94 175.09 2kl2 s TYR 68 N 0.31 2.84 -0.09 3.97 2.02 -1.19 -1.65 117.35 123.56 2kl2 s TYR 68 Ca 0.06 -1.28 -0.29 0.00 -0.37 0.00 0.00 57.07 55.19 2kl2 s TYR 68 Cb -0.11 -1.98 -0.06 0.00 -0.40 0.00 0.00 41.96 39.40 2kl2 s TYR 68 CO -0.01 -0.66 1.95 -2.00 -1.57 0.00 0.00 175.55 173.26 2kl2 s GLU 69 N 1.27 3.79 0.44 -0.62 2.12 -0.72 -1.91 118.70 123.07 2kl2 s GLU 69 Ca 0.03 2.23 0.03 0.00 0.36 0.00 0.00 54.97 57.63 2kl2 s GLU 69 Cb -0.14 -4.19 -0.04 0.00 0.26 0.00 0.00 34.13 30.03 2kl2 s GLU 69 CO -0.07 -1.34 0.05 0.14 -0.54 0.00 0.00 175.26 173.49 2kl2 s VAL 70 N 5.68 1.17 0.43 3.70 -7.23 -0.60 -1.57 120.40 121.99 2kl2 s VAL 70 Ca 0.87 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 59.08 2kl2 s VAL 70 Cb -0.36 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 2kl2 s VAL 70 CO 0.36 0.00 0.07 -1.81 -0.31 0.00 0.00 175.10 173.41 2kl2 s ASP 71 N -3.72 3.25 0.35 4.85 1.01 -1.21 -1.17 116.67 120.04 2kl2 s ASP 71 Ca 0.20 -1.60 0.09 0.00 0.71 0.00 0.00 52.55 51.96 2kl2 s ASP 71 Cb 0.04 0.34 0.83 0.00 1.01 0.00 0.00 42.92 45.14 2kl2 s ASP 71 CO 0.11 -0.81 1.84 -0.08 0.21 0.00 0.00 175.17 176.44 2kl2 h GLU 72 N 1.70 0.67 -0.75 8.23 4.81 -1.95 -1.43 114.58 125.85 2kl2 h GLU 72 Ca -0.40 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 2kl2 h GLU 72 Cb 1.28 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 2kl2 h GLU 72 CO 0.66 0.44 0.44 0.37 -0.73 0.00 0.00 179.01 180.19 2kl2 h GLN 73 N 0.69 1.03 -0.30 1.92 5.75 -1.95 -1.30 115.11 120.95 2kl2 h GLN 73 Ca 0.49 -0.10 -0.06 0.00 -0.15 0.00 0.00 58.65 58.82 2kl2 h GLN 73 Cb 0.82 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.15 2kl2 h GLN 73 CO -0.24 0.74 -0.05 1.98 -2.65 0.00 0.00 178.83 178.61 2kl2 h MET 74 N 1.03 0.56 0.00 1.69 4.05 -1.31 -1.98 114.93 118.96 2kl2 h MET 74 Ca 0.27 -0.20 -0.03 0.00 -0.28 0.00 0.00 59.70 59.46 2kl2 h MET 74 Cb -0.01 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 30.75 2kl2 h MET 74 CO -0.05 0.74 -0.14 1.25 0.23 0.00 0.00 176.91 178.94 2kl2 h LEU 75 N 0.33 0.00 -0.14 3.39 5.85 -1.02 0.65 115.31 124.36 2kl2 h LEU 75 Ca 0.08 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.56 2kl2 h LEU 75 Cb 0.52 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.56 2kl2 h LEU 75 CO 0.02 0.14 -0.89 0.03 -0.34 0.00 0.00 178.44 177.40 2kl2 h ARG 76 N 0.00 0.65 -0.07 1.25 3.08 -1.12 -2.94 114.38 115.22 2kl2 h ARG 76 Ca -0.00 -0.61 -0.01 0.00 0.07 0.00 0.00 59.98 59.42 2kl2 h ARG 76 Cb 0.25 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 2kl2 h ARG 76 CO 0.02 1.22 -0.01 0.35 -1.07 0.00 0.00 179.97 180.48 2kl2 h PHE 77 N 0.41 0.15 -0.43 3.04 3.57 -0.53 -3.02 116.94 120.13 2kl2 h PHE 77 Ca -0.08 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.48 2kl2 h PHE 77 Cb 1.52 -0.04 -0.08 0.00 2.79 0.00 0.00 35.95 40.14 2kl2 h PHE 77 CO 0.08 0.42 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.39 2kl2 h LEU 78 N -0.17 -0.46 -0.83 0.59 4.07 -1.03 -1.27 115.31 116.22 2kl2 h LEU 78 Ca 0.02 0.14 0.18 0.00 0.08 0.00 0.00 57.88 58.30 2kl2 h LEU 78 Cb 0.37 0.29 -0.11 0.00 1.08 0.00 0.00 40.66 42.29 2kl2 h LEU 78 CO 0.01 -0.16 0.34 -0.78 -1.08 0.00 0.00 178.44 176.76 2kl2 h ASP 79 N -0.02 0.29 1.33 -0.43 3.58 -1.47 0.16 116.42 119.86 2kl2 h ASP 79 Ca 0.21 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.79 2kl2 h ASP 79 Cb 0.34 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.51 2kl2 h ASP 79 CO -0.46 0.05 0.00 -0.67 -2.88 0.00 0.00 179.24 175.29 2kl2 n ASP 80 N -5.03 0.63 -0.04 2.28 -0.08 -0.81 -1.14 116.55 112.36 2kl2 n ASP 80 Ca 0.18 0.56 -0.22 0.00 -1.51 0.00 0.00 54.79 53.81 2kl2 n ASP 80 Cb 0.53 -0.73 -0.13 0.00 2.34 0.00 0.00 41.12 43.12 2kl2 n ASP 80 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2kl2 n PHE 81 N -2.10 1.08 0.84 -0.67 -0.00 0.46 -3.88 117.46 113.20 2kl2 n PHE 81 Ca 0.06 0.29 0.06 0.00 -0.00 0.00 0.00 57.45 57.86 2kl2 n PHE 81 Cb 0.40 -1.13 0.18 0.00 -0.00 0.00 0.00 39.48 38.93 2kl2 n PHE 81 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 2kl2 n GLU 82 N -3.75 1.86 -3.08 -4.13 0.00 -0.64 -4.96 120.64 105.94 2kl2 n GLU 82 Ca -0.34 -1.33 -0.22 0.00 0.00 0.00 0.00 57.16 55.28 2kl2 n GLU 82 Cb 0.94 -1.30 0.04 0.00 0.00 0.00 0.00 31.44 31.12 2kl2 n GLU 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2kl2 n ASP 83 N 0.58 -6.00 -4.87 -1.84 8.00 -0.98 -3.84 116.55 107.60 2kl2 n ASP 83 Ca 0.13 -0.32 -0.30 0.00 0.71 0.00 0.00 54.79 55.01 2kl2 n ASP 83 Cb 0.32 -4.78 0.07 0.00 -0.02 0.00 0.00 41.12 36.71 2kl2 n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kl2 n PRO 85 N -3.20 0.16 0.08 0.00 -0.04 -1.26 -4.77 135.00 125.97 2kl2 n PRO 85 Ca 0.07 0.13 -0.06 0.00 -0.04 0.00 0.00 63.50 63.60 2kl2 n PRO 85 Cb 0.58 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.51 0.00 3.54 0.02 -1.83 -3.39 113.55 111.38 2kl2 h SER 86 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2kl2 h SER 86 Cb 0.04 0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2kl2 h SER 86 CO 0.00 -0.22 -0.10 0.24 -1.14 0.00 0.00 176.83 175.61 2kl2 h MET 87 N -0.32 0.00 -6.29 3.45 2.86 -1.28 -3.48 114.93 109.87 2kl2 h MET 87 Ca -0.02 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 57.16 2kl2 h MET 87 Cb 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2kl2 h MET 87 CO -0.05 0.00 -0.32 0.71 1.06 0.00 0.00 176.91 178.31 2kl2 s TYR 88 N -1.48 2.74 -0.01 -0.22 1.51 -1.25 -4.80 117.35 113.84 2kl2 s TYR 88 Ca -0.03 -0.46 0.01 0.00 -1.01 0.00 0.00 57.07 55.58 2kl2 s TYR 88 Cb 0.00 -2.26 0.00 0.00 -0.11 0.00 0.00 41.96 39.60 2kl2 s TYR 88 CO 0.04 -0.26 -0.02 -0.65 -1.11 0.00 0.00 175.55 173.56 2kl2 s GLN 89 N -4.23 0.23 -0.14 -0.62 1.11 0.44 -4.14 119.66 112.32 2kl2 s GLN 89 Ca 0.51 -0.06 -0.29 0.00 0.01 0.00 0.00 55.36 55.53 2kl2 s GLN 89 Cb -0.06 -0.27 -0.01 0.00 -1.01 0.00 0.00 33.01 31.66 2kl2 s GLN 89 CO 0.30 0.01 1.08 0.50 0.01 0.00 0.00 175.29 177.19 2kl2 s ARG 90 N 0.19 4.35 0.24 2.91 3.00 -1.26 -0.54 118.95 127.84 2kl2 s ARG 90 Ca -0.02 1.46 0.09 0.00 -1.00 0.00 0.00 55.73 56.27 2kl2 s ARG 90 Cb -0.04 -3.59 -0.05 0.00 0.00 0.00 0.00 34.95 31.27 2kl2 s ARG 90 CO -0.00 -0.46 -0.15 0.99 0.00 0.00 0.00 175.30 175.67 2kl2 s THR 91 N 2.52 2.01 -0.08 4.11 2.01 0.20 -4.96 115.64 121.45 2kl2 s THR 91 Ca 0.49 -2.27 -0.09 0.00 0.31 0.00 0.00 61.69 60.13 2kl2 s THR 91 Cb -0.19 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 2kl2 s THR 91 CO 0.15 -0.49 0.22 0.00 -0.69 0.00 0.00 174.62 173.81 2kl2 s ALA 92 N -2.80 3.84 0.24 7.40 0.00 -1.26 -1.91 121.76 127.26 2kl2 s ALA 92 Ca 0.26 -0.54 -0.13 0.00 0.00 0.00 0.00 51.96 51.55 2kl2 s ALA 92 Cb -0.02 -2.07 -0.00 0.00 0.00 0.00 0.00 23.12 21.03 2kl2 s ALA 92 CO 0.10 0.59 0.48 -0.48 0.00 0.00 0.00 175.76 176.46 2kl2 s LEU 93 N -1.14 0.32 -0.27 0.00 -0.00 -1.00 -4.98 118.68 111.62 2kl2 s LEU 93 Ca 0.19 -0.87 -0.15 0.00 -0.00 0.00 0.00 54.13 53.29 2kl2 s LEU 93 Cb -0.13 1.79 -0.04 0.00 -0.00 0.00 0.00 46.19 47.82 2kl2 s LEU 93 CO 0.08 -1.12 0.37 -1.58 -0.00 0.00 0.00 176.35 174.09 2kl2 s GLN 94 N -4.00 4.00 -0.06 1.48 2.00 -1.26 -1.56 119.66 120.27 2kl2 s GLN 94 Ca 0.20 0.02 0.05 0.00 -2.00 0.00 0.00 55.36 53.64 2kl2 s GLN 94 Cb -0.01 -3.66 -0.02 0.00 0.80 0.00 0.00 33.01 30.13 2kl2 s GLN 94 CO 0.07 -0.28 -0.21 0.08 -0.50 0.00 0.00 175.29 174.45 2kl2 s VAL 95 N 2.06 2.45 0.49 1.34 1.01 -0.46 -4.04 120.40 123.26 2kl2 s VAL 95 Ca 0.15 -0.93 -0.21 0.00 0.00 0.00 0.00 61.98 60.98 2kl2 s VAL 95 Cb -0.16 -1.92 -0.07 0.00 0.00 0.00 0.00 36.38 34.23 2kl2 s VAL 95 CO 0.10 0.57 1.10 -1.58 0.00 0.00 0.00 175.10 175.29 2kl2 s GLN 96 N -0.35 3.65 -0.80 2.72 0.74 -0.20 -0.60 119.66 124.82 2kl2 s GLN 96 Ca 0.02 1.56 -0.21 0.00 0.05 0.00 0.00 55.36 56.78 2kl2 s GLN 96 Cb -0.12 -2.17 0.09 0.00 1.10 0.00 0.00 33.01 31.91 2kl2 s GLN 96 CO 0.02 -0.59 1.07 0.08 -0.55 0.00 0.00 175.29 175.32 2kl2 s VAL 97 N -1.78 4.45 -0.06 1.34 1.01 0.36 -3.41 120.40 122.31 2kl2 s VAL 97 Ca 0.68 -0.89 0.17 0.00 0.00 0.00 0.00 61.98 61.94 2kl2 s VAL 97 Cb -0.22 -4.76 0.11 0.00 0.00 0.00 0.00 36.38 31.51 2kl2 s VAL 97 CO 0.26 -1.52 1.56 0.25 0.00 0.00 0.00 175.10 175.65 2kl2 h LEU 98 N 11.09 0.00 -7.00 3.92 5.85 -1.12 -3.47 115.31 124.58 2kl2 h LEU 98 Ca -0.07 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.67 2kl2 h LEU 98 Cb 1.05 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.93 2kl2 h LEU 98 CO 1.17 0.43 0.30 -0.70 -0.34 0.00 0.00 178.44 179.30 2kl2 s GLU 99 N -3.18 1.07 -0.11 1.25 2.56 -1.07 -4.81 118.70 114.40 2kl2 s GLU 99 Ca 0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 54.97 54.72 2kl2 s GLU 99 Cb 0.08 0.50 0.06 0.00 2.00 0.00 0.00 34.13 36.77 2kl2 s GLU 99 CO 0.72 -0.44 0.22 -0.46 -0.56 0.00 0.00 175.26 174.75 2kl2 s TRP 100 N -2.90 -0.33 -0.67 5.30 -0.11 -1.26 -1.35 118.94 117.62 2kl2 s TRP 100 Ca -0.01 0.82 -0.09 0.00 1.22 0.00 0.00 56.10 58.05 2kl2 s TRP 100 Cb -0.01 -0.09 0.17 0.00 -1.50 0.00 0.00 33.47 32.04 2kl2 s TRP 100 CO -0.06 -0.31 0.55 -1.21 -4.62 0.00 0.00 176.95 171.30 2kl2 s GLU 101 N 2.17 2.97 0.00 5.86 0.41 -1.26 -4.87 118.70 123.98 2kl2 s GLU 101 Ca -0.00 -2.32 0.00 0.00 -0.41 0.00 0.00 54.97 52.23 2kl2 s GLU 101 Cb -0.12 -4.07 0.00 0.00 -1.78 0.00 0.00 34.13 28.17 2kl2 s GLU 101 CO -0.08 -1.23 0.00 0.41 -0.49 0.00 0.00 175.26 173.87 2kl2 n GLY 102 N 4.02 0.99 3.76 -1.39 0.00 -1.26 -4.73 105.19 106.58 2kl2 n GLY 102 Ca 0.06 -2.03 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 2kl2 n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kl2 s ASP 103 N -0.22 4.78 0.00 1.61 -1.08 -1.26 -4.59 116.67 115.91 2kl2 s ASP 103 Ca 0.00 2.05 0.00 0.00 -0.52 0.00 0.00 52.55 54.08 2kl2 s ASP 103 Cb 0.00 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 2kl2 s ASP 103 CO 0.00 -1.85 0.00 0.61 0.52 0.00 0.00 175.17 174.45 2kl2 n GLY 104 N -0.42 0.73 3.33 2.66 0.00 -1.26 -5.07 105.19 105.16 2kl2 n GLY 104 Ca 0.11 -0.50 -0.47 0.00 0.00 0.00 0.00 46.02 45.16 2kl2 n GLY 104 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kl2 s ASP 105 N -1.43 6.70 0.51 1.61 2.15 -1.26 -4.92 116.67 120.02 2kl2 s ASP 105 Ca 0.00 -2.61 0.28 0.00 0.43 0.00 0.00 52.55 50.65 2kl2 s ASP 105 Cb 0.00 -2.21 1.36 0.00 -0.30 0.00 0.00 42.92 41.77 2kl2 s ASP 105 CO 0.00 -0.60 2.02 1.55 -0.17 0.00 0.00 175.17 177.97 2kl2 h PRO 106 N 7.88 0.00 0.00 4.34 0.13 -1.98 -3.50 132.00 138.87 2kl2 h PRO 106 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2kl2 h PRO 106 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2kl2 h PRO 106 CO 0.78 0.13 0.00 0.41 -0.23 0.00 0.00 178.00 179.09 2kl2 n GLY 107 N -0.42 0.49 0.00 1.56 0.00 -1.26 -4.89 105.19 100.67 2kl2 n GLY 107 Ca -0.01 -2.25 0.06 0.00 0.00 0.00 0.00 46.02 43.82 2kl2 n GLY 107 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kl2 n ASP 108 N 0.49 0.00 -3.70 1.61 8.00 -1.26 -4.72 116.55 116.97 2kl2 n ASP 108 Ca 0.00 0.18 -0.11 0.00 0.71 0.00 0.00 54.79 55.57 2kl2 n ASP 108 Cb 0.00 -0.33 -0.06 0.00 -0.02 0.00 0.00 41.12 40.71 2kl2 n ASP 108 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2kl2 s SER 109 N -2.66 -0.17 0.22 -2.24 1.04 -1.26 -0.48 113.70 108.15 2kl2 s SER 109 Ca 0.11 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.26 2kl2 s SER 109 Cb 0.09 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.58 2kl2 s SER 109 CO 0.21 -0.75 0.09 0.68 0.98 0.00 0.00 173.24 174.45 2kl2 s VAL 110 N -3.29 0.36 -0.62 5.02 -7.23 0.24 -4.88 120.40 109.99 2kl2 s VAL 110 Ca 0.00 -1.99 -0.07 0.00 -1.81 0.00 0.00 61.98 58.11 2kl2 s VAL 110 Cb 0.01 -2.49 0.16 0.00 0.56 0.00 0.00 36.38 34.62 2kl2 s VAL 110 CO -0.08 -0.09 0.47 -1.58 -0.31 0.00 0.00 175.10 173.52 2kl2 s GLN 111 N -4.06 2.73 0.96 4.82 -0.44 -1.26 -1.35 119.66 121.05 2kl2 s GLN 111 Ca 0.36 -2.30 -0.16 0.00 -2.50 0.00 0.00 55.36 50.76 2kl2 s GLN 111 Cb 0.07 -3.91 0.19 0.00 -1.64 0.00 0.00 33.01 27.72 2kl2 s GLN 111 CO 0.11 -1.20 1.29 0.00 0.50 0.00 0.00 175.29 176.00 2kl2 s PHE 113 N -3.78 3.08 0.01 0.00 0.08 -1.26 -2.37 117.98 113.73 2kl2 s PHE 113 Ca 0.72 0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.85 2kl2 s PHE 113 Cb -0.05 -1.65 -0.01 0.00 -0.57 0.00 0.00 43.02 40.74 2kl2 s PHE 113 CO 0.53 0.47 -0.02 0.08 -0.10 0.00 0.00 175.22 176.17 2kl2 s VAL 114 N -1.15 0.16 -0.59 -0.44 1.01 -0.81 -2.82 120.40 115.77 2kl2 s VAL 114 Ca 0.21 -0.34 -0.25 0.00 0.00 0.00 0.00 61.98 61.60 2kl2 s VAL 114 Cb -0.12 -0.19 0.04 0.00 0.00 0.00 0.00 36.38 36.12 2kl2 s VAL 114 CO 0.12 -0.12 1.02 -0.31 0.00 0.00 0.00 175.10 175.81 2kl2 s TYR 115 N -0.46 2.70 0.09 5.22 2.02 -1.26 -0.63 117.35 125.02 2kl2 s TYR 115 Ca -0.04 -0.01 0.01 0.00 -0.37 0.00 0.00 57.07 56.66 2kl2 s TYR 115 Cb -0.03 -4.23 0.02 0.00 -0.40 0.00 0.00 41.96 37.31 2kl2 s TYR 115 CO -0.00 -1.49 0.13 0.25 -1.57 0.00 0.00 175.55 172.86 2kl2 n THR 116 N 6.26 0.00 -3.80 -0.71 -2.24 0.30 -4.75 114.28 109.34 2kl2 n THR 116 Ca 0.02 -0.29 -0.12 0.00 -2.27 0.00 0.00 64.05 61.39 2kl2 n THR 116 Cb 0.48 -0.97 -0.09 0.00 -2.10 0.00 0.00 70.33 67.65 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 0.36 0.07 -0.19 4.28 -1.32 -1.26 -0.42 115.64 117.17 2kl2 s THR 117 Ca 0.09 -0.59 0.05 0.00 -1.21 0.00 0.00 61.69 60.03 2kl2 s THR 117 Cb -0.01 -0.62 -0.07 0.00 -1.51 0.00 0.00 72.50 70.30 2kl2 s THR 117 CO 0.06 -0.33 0.20 0.00 -2.21 0.00 0.00 174.62 172.35 2kl2 n ALA 118 N 1.20 2.58 1.01 11.08 0.00 -1.26 -1.79 120.51 133.33 2kl2 n ALA 118 Ca -0.21 -0.15 0.06 0.00 0.00 0.00 0.00 53.44 53.14 2kl2 n ALA 118 Cb 0.56 -0.19 0.19 0.00 0.00 0.00 0.00 19.45 20.00 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 -1.27 0.40 -1.16 0.00 -2.24 -1.26 -4.97 114.28 103.78 2kl2 n THR 119 Ca 0.01 -0.42 -0.30 0.00 -2.27 0.00 0.00 64.05 61.07 2kl2 n THR 119 Cb 0.10 0.24 0.14 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.60 2.28 0.24 4.78 -0.85 -1.26 -5.05 117.35 115.89 2kl2 s TYR 120 Ca 0.24 1.31 -0.04 0.00 -0.52 0.00 0.00 57.07 58.06 2kl2 s TYR 120 Cb 0.12 -3.15 -0.05 0.00 0.38 0.00 0.00 41.96 39.26 2kl2 s TYR 120 CO 0.17 -2.40 0.49 0.00 -1.52 0.00 0.00 175.55 172.29 2kl2 s ALA 121 N -2.90 3.70 0.50 9.51 0.00 -1.26 -5.01 121.76 126.29 2kl2 s ALA 121 Ca 0.63 -0.61 0.23 0.00 0.00 0.00 0.00 51.96 52.21 2kl2 s ALA 121 Cb -0.18 -2.20 1.41 0.00 0.00 0.00 0.00 23.12 22.15 2kl2 s ALA 121 CO 0.57 0.37 2.12 -1.00 0.00 0.00 0.00 175.76 177.82 2kl2 h PRO 122 N 1.98 0.00 -0.86 0.00 0.13 -2.02 -2.53 132.00 128.71 2kl2 h PRO 122 Ca -0.47 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.84 2kl2 h PRO 122 Cb 1.19 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 2kl2 h PRO 122 CO 0.68 0.08 0.38 1.05 -0.23 0.00 0.00 178.00 179.96 2kl2 h GLU 123 N 0.00 0.45 0.00 0.86 9.09 -2.02 -1.44 114.58 121.52 2kl2 h GLU 123 Ca -0.00 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.38 2kl2 h GLU 123 Cb 0.17 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 27.16 2kl2 h GLU 123 CO 0.01 0.30 0.00 -1.49 0.05 0.00 0.00 179.01 177.88 2kl2 h TRP 124 N 0.47 0.00 0.00 2.06 6.55 -1.86 -2.10 115.95 121.07 2kl2 h TRP 124 Ca 0.50 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.34 2kl2 h TRP 124 Cb 0.86 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.16 2kl2 h TRP 124 CO -0.13 0.00 -0.15 1.28 -1.05 0.00 0.00 178.44 178.39 2kl2 n LEU 125 N -2.43 0.26 0.02 -4.49 7.99 -0.54 -3.19 117.00 114.62 2kl2 n LEU 125 Ca 0.02 0.39 0.11 0.00 -0.01 0.00 0.00 56.01 56.52 2kl2 n LEU 125 Cb 0.26 -0.40 -0.06 0.00 -0.11 0.00 0.00 43.42 43.11 2kl2 n LEU 125 CO 0.22 -0.00 -0.23 0.49 -1.51 0.00 0.00 177.39 176.35 2kl2 n PHE 126 N -1.64 0.21 -1.60 -1.77 3.72 -0.79 -4.97 117.46 110.63 2kl2 n PHE 126 Ca 0.06 0.06 -0.33 0.00 -0.05 0.00 0.00 57.45 57.20 2kl2 n PHE 126 Cb 0.36 -0.44 0.06 0.00 -0.94 0.00 0.00 39.48 38.52 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 -4.10 3.30 0.52 4.37 1.43 -1.19 -5.04 118.68 117.98 2kl2 s LEU 127 Ca 0.00 2.03 -0.16 0.00 -1.03 0.00 0.00 54.13 54.97 2kl2 s LEU 127 Cb 0.14 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.73 2kl2 s LEU 127 CO 0.84 -1.84 0.99 -2.16 0.23 0.00 0.00 176.35 174.42 2kl2 s PRO 128 N -4.22 3.91 0.81 1.29 0.04 -1.26 -5.02 135.00 130.54 2kl2 s PRO 128 Ca 0.67 0.97 -0.08 0.00 0.04 0.00 0.00 61.00 62.60 2kl2 s PRO 128 Cb -0.21 -2.13 0.14 0.00 0.04 0.00 0.00 34.50 32.34 2kl2 s PRO 128 CO 0.45 -0.31 1.12 0.71 0.04 0.00 0.00 177.00 179.01 2kl2 s TYR 129 N -2.62 1.93 0.08 0.56 2.02 -1.26 -4.59 117.35 113.47 2kl2 s TYR 129 Ca 0.59 0.13 -0.04 0.00 -0.37 0.00 0.00 57.07 57.38 2kl2 s TYR 129 Cb -0.10 -3.47 -0.03 0.00 -0.40 0.00 0.00 41.96 37.96 2kl2 s TYR 129 CO 0.32 -1.99 0.07 -1.01 -1.57 0.00 0.00 175.55 171.37 2kl2 s HIS 130 N -3.45 0.44 -1.23 2.71 3.76 -0.87 -4.98 115.29 111.67 2kl2 s HIS 130 Ca 0.68 -0.92 0.12 0.00 -0.15 0.00 0.00 55.06 54.78 2kl2 s HIS 130 Cb -0.06 -0.28 0.04 0.00 1.11 0.00 0.00 32.58 33.39 2kl2 s HIS 130 CO 0.48 -0.47 0.77 -1.91 -0.85 0.00 0.00 174.74 172.75 2kl2 n GLU 131 N 0.01 1.42 -3.51 1.40 2.13 -1.26 -4.64 120.64 116.18 2kl2 n GLU 131 Ca -0.13 -0.89 -0.13 0.00 0.66 0.00 0.00 57.16 56.68 2kl2 n GLU 131 Cb 0.62 -1.17 -0.04 0.00 0.27 0.00 0.00 31.44 31.12 2kl2 n GLU 131 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2kl2 s SER 132 N -1.26 -0.49 -0.27 4.31 0.15 -1.26 -2.33 113.70 112.54 2kl2 s SER 132 Ca 0.11 0.32 -0.06 0.00 0.70 0.00 0.00 55.95 57.02 2kl2 s SER 132 Cb 0.09 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 2kl2 s SER 132 CO 0.23 -0.61 0.05 -0.47 1.20 0.00 0.00 173.24 173.63 2kl2 s TYR 133 N -2.13 3.10 -0.08 3.44 5.04 -1.26 -5.06 117.35 120.40 2kl2 s TYR 133 Ca -0.02 -0.91 -0.03 0.00 -2.44 0.00 0.00 57.07 53.66 2kl2 s TYR 133 Cb -0.01 -2.21 0.04 0.00 0.35 0.00 0.00 41.96 40.13 2kl2 s TYR 133 CO -0.01 -0.54 0.15 0.16 -1.34 0.00 0.00 175.55 173.97 2kl2 s ASP 134 N 1.50 0.30 0.03 4.32 -4.77 -1.26 -4.56 116.67 112.24 2kl2 s ASP 134 Ca 0.04 0.32 -0.22 0.00 -3.30 0.00 0.00 52.55 49.39 2kl2 s ASP 134 Cb -0.16 0.24 -0.15 0.00 -1.09 0.00 0.00 42.92 41.75 2kl2 s ASP 134 CO 0.01 -0.20 1.37 0.77 0.70 0.00 0.00 175.17 177.83 2kl2 h SER 135 N 7.79 0.25 0.00 2.11 4.64 -1.96 -3.08 113.55 123.30 2kl2 h SER 135 Ca -0.28 -0.43 -0.05 0.00 -0.47 0.00 0.00 61.79 60.56 2kl2 h SER 135 Cb 1.13 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 2kl2 h SER 135 CO 0.29 0.62 -0.06 -0.62 -0.87 0.00 0.00 176.83 176.19 2kl2 n GLU 136 N -4.69 1.03 -4.13 4.77 1.02 -1.26 -4.80 120.64 112.59 2kl2 n GLU 136 Ca -0.06 -0.26 -0.23 0.00 -0.02 0.00 0.00 57.16 56.59 2kl2 n GLU 136 Cb 0.29 -1.38 -0.06 0.00 -0.02 0.00 0.00 31.44 30.27 2kl2 n GLU 136 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2kl2 s GLY 137 N 2.08 1.78 0.29 0.62 0.00 -1.17 -5.03 107.32 105.89 2kl2 s GLY 137 Ca 0.18 -1.71 0.22 0.00 0.00 0.00 0.00 44.72 43.41 2kl2 s GLY 137 CO 0.00 -1.69 1.67 -1.55 0.00 0.00 0.00 173.10 171.53 2kl2 n PRO 138 N -1.10 0.16 0.15 2.90 -0.04 -1.26 -4.08 135.00 131.72 2kl2 n PRO 138 Ca -0.04 0.55 0.11 0.00 -0.04 0.00 0.00 63.50 64.07 2kl2 n PRO 138 Cb 0.60 -1.91 0.54 0.00 -0.04 0.00 0.00 33.50 32.68 2kl2 n PRO 138 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2kl2 n HIS 139 N -2.23 0.72 0.00 0.54 8.25 -1.26 -4.85 115.22 116.38 2kl2 n HIS 139 Ca 0.00 0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.81 2kl2 n HIS 139 Cb 0.11 -1.06 0.00 0.00 1.12 0.00 0.00 29.99 30.17 2kl2 n HIS 139 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kl2 n GLY 140 N -0.94 1.95 3.35 -1.41 0.00 -1.26 -4.89 105.19 101.98 2kl2 n GLY 140 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 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 5.94 0.29 0.99 0.05 -1.26 -5.06 118.68 119.63 2kl2 s LEU 141 Ca 0.00 -1.86 0.07 0.00 0.05 0.00 0.00 54.13 52.39 2kl2 s LEU 141 Cb 0.00 -2.26 -0.03 0.00 -2.05 0.00 0.00 46.19 41.86 2kl2 s LEU 141 CO 0.00 -0.91 0.29 -0.13 -0.55 0.00 0.00 176.35 175.04 2kl2 s ARG 142 N 1.79 2.93 0.42 1.48 3.00 -1.26 -4.98 118.95 122.33 2kl2 s ARG 142 Ca 0.11 -1.11 -0.26 0.00 0.00 0.00 0.00 55.73 54.48 2kl2 s ARG 142 Cb -0.22 -2.60 -0.10 0.00 0.00 0.00 0.00 34.95 32.03 2kl2 s ARG 142 CO 0.01 0.25 1.31 0.98 0.00 0.00 0.00 175.30 177.85 2kl2 n TYR 143 N -1.34 2.30 -3.78 -0.53 9.36 -1.26 -4.68 117.16 117.24 2kl2 n TYR 143 Ca -0.05 0.49 -0.33 0.00 3.32 0.00 0.00 57.90 61.33 2kl2 n TYR 143 Cb 0.58 -2.40 -0.10 0.00 -0.63 0.00 0.00 39.34 36.79 2kl2 n TYR 143 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2kl2 s ASN 144 N -0.47 5.20 0.02 2.98 2.47 -1.13 -4.91 114.94 119.10 2kl2 s ASN 144 Ca 0.60 -3.36 -0.20 0.00 0.42 0.00 0.00 52.86 50.32 2kl2 s ASN 144 Cb -0.50 -1.78 -0.18 0.00 -1.45 0.00 0.00 41.25 37.33 2kl2 s ASN 144 CO 0.59 -0.23 1.23 1.55 -3.72 0.00 0.00 177.10 176.52 2kl2 h PRO 145 N 6.27 0.39 0.00 0.43 0.13 -1.93 -3.44 132.00 133.85 2kl2 h PRO 145 Ca 0.06 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2kl2 h PRO 145 Cb 0.86 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2kl2 h PRO 145 CO 0.75 0.92 0.00 -2.13 -0.23 0.00 0.00 178.00 177.31 2kl2 n ARG 146 N -4.40 0.00 0.11 0.86 0.63 -1.26 -4.99 116.66 107.61 2kl2 n ARG 146 Ca -0.08 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 56.94 2kl2 n ARG 146 Cb 0.50 0.00 0.44 0.00 0.45 0.00 0.00 32.46 33.85 2kl2 n ARG 146 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2kl2 n GLU 147 N 0.00 0.12 -0.21 -0.14 0.28 -1.26 -1.18 120.64 118.25 2kl2 n GLU 147 Ca 0.00 0.52 0.03 0.00 -0.16 0.00 0.00 57.16 57.55 2kl2 n GLU 147 Cb 0.42 -1.82 0.04 0.00 1.43 0.00 0.00 31.44 31.51 2kl2 n GLU 147 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2kl2 n ASN 148 N -2.07 0.98 0.00 -1.84 5.03 -1.26 -5.19 115.26 110.91 2kl2 n ASN 148 Ca 0.00 -2.13 0.00 0.00 0.87 0.00 0.00 54.58 53.32 2kl2 n ASN 148 Cb 0.10 -0.20 0.00 0.00 -1.02 0.00 0.00 39.78 38.65 2kl2 n ASN 148 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29