#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kl2 s LEU 38 N 0.00 1.85 -0.29 4.31 1.43 -1.26 -5.12 118.68 119.60 3kl2 s LEU 38 Ca 0.00 -0.26 -0.08 0.00 -1.03 0.00 0.00 54.13 52.76 3kl2 s LEU 38 Cb 0.00 -0.75 -0.01 0.00 0.03 0.00 0.00 46.19 45.47 3kl2 s LEU 38 CO 0.00 0.11 0.10 -0.62 0.23 0.00 0.00 176.35 176.17 3kl2 s ASP 39 N 0.10 5.23 0.40 2.29 3.68 -1.26 -4.97 116.67 122.15 3kl2 s ASP 39 Ca -0.03 -0.53 0.07 0.00 2.13 0.00 0.00 52.55 54.20 3kl2 s ASP 39 Cb -0.10 -1.92 0.84 0.00 -1.45 0.00 0.00 42.92 40.29 3kl2 s ASP 39 CO 0.01 -0.15 2.03 -0.65 0.13 0.00 0.00 175.17 176.54 3kl2 h PRO 40 N 8.27 0.49 0.00 4.34 0.11 -1.92 -0.93 132.00 142.36 3kl2 h PRO 40 Ca -0.34 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3kl2 h PRO 40 Cb 1.14 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3kl2 h PRO 40 CO 0.60 0.37 0.00 0.00 -0.21 0.00 0.00 178.00 178.76 3kl2 h ALA 41 N 1.71 1.00 0.00 -0.75 0.00 -1.95 -3.21 119.26 116.07 3kl2 h ALA 41 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kl2 h ALA 41 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3kl2 h ALA 41 CO -0.02 0.00 -0.17 0.54 0.00 0.00 0.00 179.25 179.60 3kl2 n ARG 42 N -2.34 0.95 -4.90 0.00 1.74 -0.40 -4.63 116.66 107.07 3kl2 n ARG 42 Ca 0.01 -1.71 -0.29 0.00 -0.77 0.00 0.00 57.85 55.08 3kl2 n ARG 42 Cb 0.18 -1.01 -0.15 0.00 -1.02 0.00 0.00 32.46 30.47 3kl2 n ARG 42 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3kl2 s THR 43 N -1.40 2.00 0.04 0.55 2.01 -0.89 -1.26 115.64 116.69 3kl2 s THR 43 Ca 0.14 -1.29 0.05 0.00 0.31 0.00 0.00 61.69 60.90 3kl2 s THR 43 Cb 0.12 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 3kl2 s THR 43 CO 0.01 0.36 -0.15 0.00 -0.69 0.00 0.00 174.62 174.15 3kl2 s ALA 44 N -0.76 1.27 -0.22 7.40 0.00 -0.37 -4.19 121.76 124.88 3kl2 s ALA 44 Ca 0.10 -0.87 -0.13 0.00 0.00 0.00 0.00 51.96 51.06 3kl2 s ALA 44 Cb -0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 3kl2 s ALA 44 CO 0.01 0.25 0.26 0.42 0.00 0.00 0.00 175.76 176.70 3kl2 s ILE 45 N -0.86 5.29 -0.28 0.00 -1.09 -0.69 -0.86 121.20 122.71 3kl2 s ILE 45 Ca 0.02 0.40 -0.01 0.00 -2.23 0.00 0.00 60.65 58.84 3kl2 s ILE 45 Cb -0.08 -3.59 0.05 0.00 -1.58 0.00 0.00 42.46 37.25 3kl2 s ILE 45 CO 0.01 0.31 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.30 3kl2 s VAL 46 N 1.17 2.77 -0.35 2.92 1.01 0.92 -0.56 120.40 128.29 3kl2 s VAL 46 Ca 0.12 -1.40 -0.11 0.00 0.00 0.00 0.00 61.98 60.59 3kl2 s VAL 46 Cb -0.14 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.67 3kl2 s VAL 46 CO 0.06 -0.05 0.21 -0.76 0.00 0.00 0.00 175.10 174.56 3kl2 s LEU 47 N 1.23 4.49 -0.40 3.92 1.43 0.22 -2.28 118.68 127.28 3kl2 s LEU 47 Ca -0.05 -0.67 -0.15 0.00 -1.03 0.00 0.00 54.13 52.22 3kl2 s LEU 47 Cb -0.19 -2.06 0.02 0.00 0.03 0.00 0.00 46.19 43.98 3kl2 s LEU 47 CO -0.03 -0.29 0.32 -0.63 0.23 0.00 0.00 176.35 175.96 3kl2 s ILE 48 N 1.63 5.22 -0.78 -0.59 1.01 0.39 -1.08 121.20 127.01 3kl2 s ILE 48 Ca 0.04 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 3kl2 s ILE 48 Cb -0.18 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.37 3kl2 s ILE 48 CO 0.08 -0.29 0.59 -0.62 0.00 0.00 0.00 174.94 174.69 3kl2 n GLU 49 N 5.25 -4.05 -1.32 2.79 1.02 -0.88 -1.59 120.64 121.86 3kl2 n GLU 49 Ca -0.10 0.47 -0.37 0.00 -0.02 0.00 0.00 57.16 57.13 3kl2 n GLU 49 Cb 0.47 -4.41 -0.02 0.00 -0.02 0.00 0.00 31.44 27.46 3kl2 n GLU 49 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3kl2 n TYR 50 N -3.91 2.50 -4.32 -0.32 4.01 -1.26 -4.64 117.16 109.22 3kl2 n TYR 50 Ca -0.01 -2.83 -0.27 0.00 -0.16 0.00 0.00 57.90 54.63 3kl2 n TYR 50 Cb 0.54 -2.34 -0.10 0.00 -0.31 0.00 0.00 39.34 37.13 3kl2 n TYR 50 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3kl2 s GLN 51 N 2.77 1.91 0.36 -0.72 -0.21 -1.26 -0.90 119.66 121.60 3kl2 s GLN 51 Ca 0.59 -1.29 0.08 0.00 0.02 0.00 0.00 55.36 54.76 3kl2 s GLN 51 Cb 0.16 -2.10 0.80 0.00 1.00 0.00 0.00 33.01 32.87 3kl2 s GLN 51 CO -0.05 0.44 1.90 -0.91 -2.12 0.00 0.00 175.29 174.55 3kl2 h ASN 52 N 3.14 0.65 -1.11 5.90 2.35 -0.83 0.23 115.58 125.91 3kl2 h ASN 52 Ca -0.47 0.03 0.31 0.00 -0.55 0.00 0.00 56.30 55.62 3kl2 h ASN 52 Cb 1.20 -0.11 -0.11 0.00 0.05 0.00 0.00 38.32 39.35 3kl2 h ASN 52 CO 0.51 0.36 0.70 -0.08 -1.65 0.00 0.00 177.43 177.28 3kl2 h GLU 53 N 0.70 0.31 0.02 0.81 4.57 -1.27 -1.22 114.58 118.49 3kl2 h GLU 53 Ca 0.40 -0.02 -0.40 0.00 -1.18 0.00 0.00 59.36 58.16 3kl2 h GLU 53 Cb 0.58 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 29.04 3kl2 h GLU 53 CO -0.16 0.20 -2.34 1.19 -1.18 0.00 0.00 179.01 176.72 3kl2 n PHE 54 N -4.69 0.25 0.11 0.92 3.72 0.64 -1.31 117.46 117.10 3kl2 n PHE 54 Ca 0.29 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.76 3kl2 n PHE 54 Cb 1.02 -1.03 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 3kl2 n PHE 54 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3kl2 h THR 55 N -0.42 0.97 -4.08 4.37 1.35 -0.70 -3.37 112.91 111.04 3kl2 h THR 55 Ca -0.58 -2.42 -0.69 0.00 -0.55 0.00 0.00 66.41 62.17 3kl2 h THR 55 Cb 1.77 2.46 -0.24 0.00 -1.73 0.00 0.00 68.15 70.41 3kl2 h THR 55 CO -0.19 0.56 -0.87 -0.44 -0.25 0.00 0.00 175.52 174.32 3kl2 s SER 56 N -6.42 3.26 0.13 5.36 0.01 -0.50 -5.02 113.70 110.52 3kl2 s SER 56 Ca 0.03 -0.68 -0.32 0.00 1.31 0.00 0.00 55.95 56.29 3kl2 s SER 56 Cb 0.08 -0.25 -0.11 0.00 0.21 0.00 0.00 66.02 65.95 3kl2 s SER 56 CO 0.77 0.21 1.82 0.47 0.41 0.00 0.00 173.24 176.92 3kl2 n ASP 57 N 1.28 3.97 0.00 2.44 8.00 -1.26 0.24 116.55 131.22 3kl2 n ASP 57 Ca -0.17 1.00 0.00 0.00 0.71 0.00 0.00 54.79 56.32 3kl2 n ASP 57 Cb 0.53 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 3kl2 n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kl2 n GLY 58 N 4.17 3.18 3.71 0.44 0.00 -1.26 -5.08 105.19 110.35 3kl2 n GLY 58 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3kl2 n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kl2 n GLY 59 N -1.39 1.01 0.36 -0.02 0.00 0.14 -4.88 105.19 100.41 3kl2 n GLY 59 Ca 0.00 0.45 0.14 0.00 0.00 0.00 0.00 46.02 46.61 3kl2 n GLY 59 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kl2 h VAL 60 N 3.11 0.85 -0.55 1.61 2.07 -1.85 -1.79 116.25 119.70 3kl2 h VAL 60 Ca -0.46 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3kl2 h VAL 60 Cb 1.25 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3kl2 h VAL 60 CO 0.75 0.06 0.00 0.18 0.02 0.00 0.00 177.57 178.58 3kl2 n LEU 61 N -4.46 3.59 -0.04 2.57 4.77 -0.42 -4.65 117.00 118.36 3kl2 n LEU 61 Ca 0.10 -2.07 -0.14 0.00 -0.03 0.00 0.00 56.01 53.87 3kl2 n LEU 61 Cb 0.44 -0.39 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 3kl2 n LEU 61 CO 0.34 0.85 0.54 -0.74 -1.33 0.00 0.00 177.39 177.06 3kl2 h HIS 62 N 3.23 0.38 -0.99 -1.77 2.76 -0.50 -3.12 115.15 115.14 3kl2 h HIS 62 Ca 0.00 -0.14 0.22 0.00 -2.20 0.00 0.00 60.37 58.26 3kl2 h HIS 62 Cb 0.94 -0.07 -0.09 0.00 1.55 0.00 0.00 27.41 29.74 3kl2 h HIS 62 CO 0.41 0.79 0.63 0.78 -1.30 0.00 0.00 177.93 179.24 3kl2 h GLY 63 N -0.15 1.30 1.58 5.26 0.00 -1.83 -0.71 103.07 108.52 3kl2 h GLY 63 Ca 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 47.33 46.95 3kl2 h GLY 63 CO 0.04 -0.08 -0.46 0.00 0.00 0.00 0.00 176.54 176.04 3kl2 h ALA 64 N 1.63 0.87 -0.02 3.60 0.00 -1.87 -3.21 119.26 120.25 3kl2 h ALA 64 Ca 0.55 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kl2 h ALA 64 Cb 1.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kl2 h ALA 64 CO -0.29 0.65 -0.32 1.33 0.00 0.00 0.00 179.25 180.62 3kl2 n VAL 65 N -3.99 0.00 -0.02 0.00 0.24 -0.69 -4.24 118.33 109.62 3kl2 n VAL 65 Ca -0.02 -0.34 -0.11 0.00 -2.04 0.00 0.00 64.34 61.83 3kl2 n VAL 65 Cb 0.54 1.34 -0.06 0.00 -1.47 0.00 0.00 33.84 34.19 3kl2 n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kl2 h ALA 66 N 4.15 0.15 -0.52 2.33 0.00 -1.17 0.07 119.26 124.27 3kl2 h ALA 66 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3kl2 h ALA 66 Cb 0.84 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3kl2 h ALA 66 CO 0.00 -0.30 0.27 0.22 0.00 0.00 0.00 179.25 179.43 3kl2 h ASP 67 N 0.08 0.39 0.09 0.00 3.58 -1.80 -0.63 116.42 118.13 3kl2 h ASP 67 Ca 0.04 0.03 -0.21 0.00 0.42 0.00 0.00 57.03 57.31 3kl2 h ASP 67 Cb 0.10 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.10 3kl2 h ASP 67 CO -0.01 0.27 -0.77 0.58 -2.88 0.00 0.00 179.24 176.43 3kl2 h VAL 68 N 0.52 1.34 -0.57 2.25 2.07 -1.76 0.12 116.25 120.21 3kl2 h VAL 68 Ca 0.23 -2.10 0.10 0.00 0.82 0.00 0.00 66.70 65.75 3kl2 h VAL 68 Cb 0.13 2.09 -0.08 0.00 -1.52 0.00 0.00 31.29 31.92 3kl2 h VAL 68 CO -0.16 0.64 0.16 0.24 0.02 0.00 0.00 177.57 178.48 3kl2 h MET 69 N 0.38 0.30 -0.16 1.57 2.86 -0.68 -1.36 114.93 117.84 3kl2 h MET 69 Ca -0.05 -0.02 -0.17 0.00 -2.06 0.00 0.00 59.70 57.41 3kl2 h MET 69 Cb 1.38 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.97 3kl2 h MET 69 CO 0.14 0.20 -0.55 0.37 1.06 0.00 0.00 176.91 178.13 3kl2 h GLN 70 N 0.31 0.66 -0.59 1.72 -0.00 -0.93 -1.94 115.11 114.34 3kl2 h GLN 70 Ca 0.29 -0.49 -0.06 0.00 -0.00 0.00 0.00 58.65 58.39 3kl2 h GLN 70 Cb 0.39 0.09 -0.03 0.00 0.00 0.00 0.00 27.48 27.93 3kl2 h GLN 70 CO -0.34 1.11 0.14 1.25 0.00 0.00 0.00 178.83 180.99 3kl2 h HIS 71 N 0.34 0.95 0.00 3.99 2.76 -0.50 -3.17 115.15 119.52 3kl2 h HIS 71 Ca -0.02 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 3kl2 h HIS 71 Cb 1.18 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.86 3kl2 h HIS 71 CO 0.10 0.79 -1.16 0.25 -1.30 0.00 0.00 177.93 176.61 3kl2 n THR 72 N -4.26 0.09 -2.65 6.26 -2.24 -0.53 -4.99 114.28 105.96 3kl2 n THR 72 Ca 0.04 -0.21 -0.18 0.00 -2.27 0.00 0.00 64.05 61.43 3kl2 n THR 72 Cb 0.24 0.39 0.01 0.00 -2.10 0.00 0.00 70.33 68.87 3kl2 n THR 72 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kl2 n GLY 73 N 1.39 -0.32 0.32 3.38 0.00 -0.74 -4.89 105.19 104.34 3kl2 n GLY 73 Ca 0.02 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.97 3kl2 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kl2 h MET 74 N -0.67 0.74 -0.21 1.61 -0.00 -1.69 -0.55 114.93 114.16 3kl2 h MET 74 Ca -0.42 -0.06 -0.08 0.00 -0.00 0.00 0.00 59.70 59.14 3kl2 h MET 74 Cb 1.30 -0.16 -0.00 0.00 -0.00 0.00 0.00 31.60 32.74 3kl2 h MET 74 CO 0.47 0.52 -0.18 1.25 -0.00 0.00 0.00 176.91 178.97 3kl2 h LEU 75 N 0.76 0.52 -0.36 -0.10 5.85 -1.87 0.25 115.31 120.36 3kl2 h LEU 75 Ca 0.20 -0.46 -0.09 0.00 0.84 0.00 0.00 57.88 58.37 3kl2 h LEU 75 Cb -0.04 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 3kl2 h LEU 75 CO -0.04 0.87 -0.14 0.00 -0.34 0.00 0.00 178.44 178.80 3kl2 h ALA 76 N 0.66 0.50 -0.82 1.25 0.00 -1.85 -0.16 119.26 118.85 3kl2 h ALA 76 Ca 0.04 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.64 3kl2 h ALA 76 Cb 0.71 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3kl2 h ALA 76 CO 0.05 0.39 0.53 -0.91 0.00 0.00 0.00 179.25 179.31 3kl2 h ASN 77 N 0.51 0.89 -0.65 0.00 2.35 -1.06 -1.98 115.58 115.64 3kl2 h ASN 77 Ca 0.08 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 3kl2 h ASN 77 Cb 0.67 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.80 3kl2 h ASN 77 CO 0.05 0.63 0.17 0.74 -1.65 0.00 0.00 177.43 177.37 3kl2 h THR 78 N 1.05 1.25 -0.78 2.81 2.02 -0.72 -1.42 112.91 117.13 3kl2 h THR 78 Ca 0.32 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 3kl2 h THR 78 Cb -0.04 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 3kl2 h THR 78 CO -0.10 0.35 0.44 0.58 0.37 0.00 0.00 175.52 177.17 3kl2 h VAL 79 N 0.96 1.23 -0.59 3.16 2.07 -0.68 -1.34 116.25 121.06 3kl2 h VAL 79 Ca 0.21 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 3kl2 h VAL 79 Cb 0.34 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3kl2 h VAL 79 CO -0.00 0.25 0.13 0.00 0.02 0.00 0.00 177.57 177.96 3kl2 h ALA 80 N 1.40 0.77 0.12 1.67 0.00 -0.75 -1.61 119.26 120.87 3kl2 h ALA 80 Ca 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3kl2 h ALA 80 Cb -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3kl2 h ALA 80 CO -0.05 0.49 -0.06 0.28 0.00 0.00 0.00 179.25 179.92 3kl2 h VAL 81 N 0.85 0.96 -0.51 0.00 2.07 -0.61 -2.26 116.25 116.76 3kl2 h VAL 81 Ca 0.18 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.44 3kl2 h VAL 81 Cb 0.37 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 3kl2 h VAL 81 CO 0.01 0.08 0.21 0.58 0.02 0.00 0.00 177.57 178.47 3kl2 h VAL 82 N -0.31 0.88 -0.47 2.57 2.07 -1.28 -0.08 116.25 119.63 3kl2 h VAL 82 Ca -0.02 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 67.43 3kl2 h VAL 82 Cb 0.25 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 3kl2 h VAL 82 CO 0.03 0.08 0.11 0.44 0.02 0.00 0.00 177.57 178.25 3kl2 h ASP 83 N 0.42 0.05 -0.48 0.57 3.32 -1.19 -1.10 116.42 118.01 3kl2 h ASP 83 Ca 0.24 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.30 3kl2 h ASP 83 Cb 0.21 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3kl2 h ASP 83 CO -0.21 0.06 0.08 0.00 -1.72 0.00 0.00 179.24 177.45 3kl2 h ALA 84 N 1.35 0.63 -0.39 3.45 0.00 -0.86 -2.37 119.26 121.07 3kl2 h ALA 84 Ca 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kl2 h ALA 84 Cb 0.28 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3kl2 h ALA 84 CO -0.28 0.36 0.22 0.00 0.00 0.00 0.00 179.25 179.55 3kl2 h ALA 85 N 0.96 0.50 -0.88 0.00 0.00 -0.65 0.22 119.26 119.41 3kl2 h ALA 85 Ca 0.15 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3kl2 h ALA 85 Cb 0.38 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3kl2 h ALA 85 CO 0.01 0.01 0.57 0.00 0.00 0.00 0.00 179.25 179.84 3kl2 h ARG 86 N 0.50 1.08 -0.34 0.00 3.08 -1.20 0.18 114.38 117.68 3kl2 h ARG 86 Ca 0.14 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3kl2 h ARG 86 Cb 0.03 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 3kl2 h ARG 86 CO -0.02 0.72 0.20 0.37 -1.07 0.00 0.00 179.97 180.16 3kl2 h GLN 87 N 1.11 0.47 0.00 0.04 5.75 -0.83 -2.66 115.11 118.99 3kl2 h GLN 87 Ca 0.35 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.79 3kl2 h GLN 87 Cb -0.01 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.44 3kl2 h GLN 87 CO -0.11 0.37 -0.05 0.00 -2.65 0.00 0.00 178.83 176.39 3kl2 h ALA 88 N 1.07 1.06 0.00 3.38 0.00 0.27 -3.46 119.26 121.59 3kl2 h ALA 88 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kl2 h ALA 88 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kl2 h ALA 88 CO -0.02 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.70 3kl2 n GLY 89 N -0.38 0.70 3.67 0.00 0.00 0.34 -4.93 105.19 104.60 3kl2 n GLY 89 Ca -0.01 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 3kl2 n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kl2 s VAL 90 N -2.00 4.91 0.39 1.61 1.01 0.36 -4.90 120.40 121.78 3kl2 s VAL 90 Ca 0.00 1.59 -0.28 0.00 0.00 0.00 0.00 61.98 63.30 3kl2 s VAL 90 Cb 0.00 -4.12 -0.10 0.00 0.00 0.00 0.00 36.38 32.16 3kl2 s VAL 90 CO 0.00 0.06 1.46 -2.16 0.00 0.00 0.00 175.10 174.46 3kl2 s PRO 91 N 1.97 4.05 -0.22 2.72 0.04 -1.26 -4.31 135.00 138.00 3kl2 s PRO 91 Ca 0.38 2.52 -0.07 0.00 0.04 0.00 0.00 61.00 63.86 3kl2 s PRO 91 Cb -0.17 -2.92 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 3kl2 s PRO 91 CO 0.13 -0.56 0.06 0.42 0.04 0.00 0.00 177.00 177.09 3kl2 s ILE 92 N -1.14 4.49 -0.15 0.56 -1.09 -1.26 -1.70 121.20 120.91 3kl2 s ILE 92 Ca 0.54 -0.12 0.01 0.00 -2.23 0.00 0.00 60.65 58.85 3kl2 s ILE 92 Cb -0.45 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 3kl2 s ILE 92 CO 0.61 0.39 -0.17 -0.04 -1.23 0.00 0.00 174.94 174.50 3kl2 s MET 93 N 1.04 3.16 -0.15 2.79 -1.94 0.28 -1.39 119.30 123.08 3kl2 s MET 93 Ca 0.04 -0.78 -0.10 0.00 -1.71 0.00 0.00 55.69 53.13 3kl2 s MET 93 Cb -0.14 -2.56 -0.05 0.00 2.01 0.00 0.00 34.83 34.09 3kl2 s MET 93 CO 0.03 0.02 0.19 -1.01 -0.01 0.00 0.00 175.02 174.24 3kl2 s HIS 94 N 0.79 3.50 -0.71 -0.03 3.76 0.38 -0.61 115.29 122.38 3kl2 s HIS 94 Ca -0.06 0.50 0.05 0.00 -0.15 0.00 0.00 55.06 55.40 3kl2 s HIS 94 Cb -0.15 -2.15 0.17 0.00 1.11 0.00 0.00 32.58 31.56 3kl2 s HIS 94 CO -0.00 0.44 0.50 0.00 -0.85 0.00 0.00 174.74 174.82 3kl2 n ALA 95 N 2.95 3.42 -1.96 -1.40 0.00 -0.24 0.08 120.51 123.36 3kl2 n ALA 95 Ca -0.16 -4.52 -0.31 0.00 0.00 0.00 0.00 53.44 48.45 3kl2 n ALA 95 Cb 0.53 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 3kl2 n ALA 95 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kl2 s PRO 96 N -1.47 3.86 -0.10 0.00 0.04 -1.26 -2.08 135.00 133.99 3kl2 s PRO 96 Ca 0.25 0.77 -0.01 0.00 0.04 0.00 0.00 61.00 62.05 3kl2 s PRO 96 Cb -0.04 -2.22 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 3kl2 s PRO 96 CO -0.17 -0.21 -0.06 -1.50 0.04 0.00 0.00 177.00 175.10 3kl2 s ILE 97 N -2.58 3.78 0.10 0.56 2.07 -1.26 -4.30 121.20 119.55 3kl2 s ILE 97 Ca 0.56 -0.43 -0.06 0.00 -1.41 0.00 0.00 60.65 59.31 3kl2 s ILE 97 Cb -0.10 -2.58 -0.02 0.00 0.13 0.00 0.00 42.46 39.89 3kl2 s ILE 97 CO 0.33 0.56 0.14 0.42 -1.91 0.00 0.00 174.94 174.48 3kl2 s THR 98 N -0.38 0.14 -0.09 4.00 -4.23 -1.23 -4.86 115.64 108.99 3kl2 s THR 98 Ca 0.06 -1.44 -0.05 0.00 -1.18 0.00 0.00 61.69 59.07 3kl2 s THR 98 Cb -0.12 -1.54 0.04 0.00 1.34 0.00 0.00 72.50 72.21 3kl2 s THR 98 CO 0.02 -0.66 0.23 -0.36 -0.54 0.00 0.00 174.62 173.31 3kl2 s PHE 99 N -3.91 -0.29 0.28 3.99 0.08 0.00 -4.71 117.98 113.42 3kl2 s PHE 99 Ca 0.10 0.70 -0.30 0.00 0.12 0.00 0.00 56.93 57.54 3kl2 s PHE 99 Cb 0.06 0.03 -0.12 0.00 -0.57 0.00 0.00 43.02 42.42 3kl2 s PHE 99 CO -0.08 -0.20 1.52 0.00 -0.10 0.00 0.00 175.22 176.36 3kl2 n ALA 100 N 3.98 1.98 -1.79 5.36 0.00 -1.26 -0.47 120.51 128.31 3kl2 n ALA 100 Ca -0.23 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.18 3kl2 n ALA 100 Cb 0.54 -2.39 -0.01 0.00 0.00 0.00 0.00 19.45 17.59 3kl2 n ALA 100 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3kl2 s GLU 101 N -0.55 4.18 0.00 0.00 4.04 -1.26 -2.00 118.70 123.10 3kl2 s GLU 101 Ca 0.65 2.48 0.00 0.00 0.04 0.00 0.00 54.97 58.14 3kl2 s GLU 101 Cb -0.55 -3.02 0.00 0.00 0.02 0.00 0.00 34.13 30.57 3kl2 s GLU 101 CO 0.50 -0.50 0.00 0.41 -1.84 0.00 0.00 175.26 173.83 3kl2 n GLY 102 N 1.34 0.85 2.41 -3.83 0.00 -1.26 -4.58 105.19 100.12 3kl2 n GLY 102 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 3kl2 n GLY 102 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kl2 n TYR 103 N -1.99 -1.00 0.54 1.61 4.01 -0.85 -4.88 117.16 114.60 3kl2 n TYR 103 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 3kl2 n TYR 103 Cb 0.00 -3.73 0.45 0.00 -0.31 0.00 0.00 39.34 35.76 3kl2 n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kl2 n GLY 104 N -0.93 -1.46 0.00 2.72 0.00 -1.26 -1.46 105.19 102.80 3kl2 n GLY 104 Ca -0.23 0.02 0.13 0.00 0.00 0.00 0.00 46.02 45.94 3kl2 n GLY 104 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kl2 n GLU 105 N -2.17 0.78 -4.52 1.61 1.02 -1.26 -4.88 120.64 111.22 3kl2 n GLU 105 Ca 0.04 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.94 3kl2 n GLU 105 Cb 0.32 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.13 3kl2 n GLU 105 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kl2 s LEU 106 N -2.00 2.56 0.31 -4.62 1.43 -0.53 -5.10 118.68 110.71 3kl2 s LEU 106 Ca 0.38 -1.32 -0.29 0.00 -1.03 0.00 0.00 54.13 51.86 3kl2 s LEU 106 Cb 0.17 -0.69 -0.13 0.00 0.03 0.00 0.00 46.19 45.58 3kl2 s LEU 106 CO 0.29 -0.46 1.31 1.07 0.23 0.00 0.00 176.35 178.78 3kl2 n THR 107 N -0.79 1.67 0.29 5.49 5.66 -1.26 -4.86 114.28 120.48 3kl2 n THR 107 Ca -0.04 -0.42 0.16 0.00 -3.05 0.00 0.00 64.05 60.70 3kl2 n THR 107 Cb 0.66 -1.50 0.75 0.00 -1.55 0.00 0.00 70.33 68.69 3kl2 n THR 107 CO 0.00 0.00 0.00 0.08 -3.05 0.00 0.00 175.07 172.10 3kl2 h ARG 108 N 3.04 0.00 -2.14 1.09 -0.00 -1.96 -3.33 114.38 111.07 3kl2 h ARG 108 Ca -0.45 0.00 -0.59 0.00 -0.00 0.00 0.00 59.98 58.94 3kl2 h ARG 108 Cb 1.28 0.00 -0.41 0.00 -0.00 0.00 0.00 29.97 30.84 3kl2 h ARG 108 CO 0.67 0.00 -0.75 0.72 -0.00 0.00 0.00 179.97 180.61 3kl2 n HIS 109 N -2.66 2.51 -1.61 4.08 8.25 -1.26 -5.11 115.22 119.43 3kl2 n HIS 109 Ca -0.00 -3.98 -0.32 0.00 -0.26 0.00 0.00 57.72 53.16 3kl2 n HIS 109 Cb 0.16 -0.50 0.05 0.00 1.12 0.00 0.00 29.99 30.82 3kl2 n HIS 109 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3kl2 s PRO 110 N -2.19 2.83 0.29 -0.41 0.04 -1.25 -5.07 135.00 129.24 3kl2 s PRO 110 Ca 0.39 1.10 0.02 0.00 0.04 0.00 0.00 61.00 62.55 3kl2 s PRO 110 Cb 0.17 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 3kl2 s PRO 110 CO -0.05 -1.19 0.10 1.52 0.04 0.00 0.00 177.00 177.43 3kl2 s TYR 111 N -2.82 1.66 0.00 0.56 1.13 -1.26 -4.72 117.35 111.90 3kl2 s TYR 111 Ca 0.61 -1.18 0.00 0.00 -1.41 0.00 0.00 57.07 55.08 3kl2 s TYR 111 Cb -0.16 -0.99 0.00 0.00 -1.10 0.00 0.00 41.96 39.71 3kl2 s TYR 111 CO 0.50 -0.30 0.00 0.41 -2.51 0.00 0.00 175.55 173.65 3kl2 n GLY 112 N -0.57 -0.08 0.40 5.49 0.00 -1.26 -3.62 105.19 105.56 3kl2 n GLY 112 Ca -0.01 -0.98 0.22 0.00 0.00 0.00 0.00 46.02 45.26 3kl2 n GLY 112 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kl2 h ILE 113 N 0.00 0.54 0.00 -0.61 6.09 -2.02 -0.83 117.51 120.68 3kl2 h ILE 113 Ca 0.00 -0.14 -0.05 0.00 -1.37 0.00 0.00 64.86 63.31 3kl2 h ILE 113 Cb 0.00 0.10 -0.01 0.00 0.47 0.00 0.00 36.82 37.38 3kl2 h ILE 113 CO 0.00 0.07 -0.21 -0.07 -3.07 0.00 0.00 178.15 174.87 3kl2 h LEU 114 N 0.41 0.00 -1.07 2.19 3.38 -1.98 -2.20 115.31 116.03 3kl2 h LEU 114 Ca 0.59 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.67 3kl2 h LEU 114 Cb 1.46 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.14 3kl2 h LEU 114 CO -0.29 0.21 0.62 0.50 0.09 0.00 0.00 178.44 179.57 3kl2 h LYS 115 N 0.00 0.96 0.00 1.13 3.64 -1.20 -1.93 116.57 119.16 3kl2 h LYS 115 Ca -0.00 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 3kl2 h LYS 115 Cb 0.72 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 3kl2 h LYS 115 CO 0.03 0.63 -0.50 0.78 -2.27 0.00 0.00 179.45 178.12 3kl2 h GLY 116 N 0.99 0.00 0.83 5.01 0.00 -1.51 -0.70 103.07 107.69 3kl2 h GLY 116 Ca 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.74 3kl2 h GLY 116 CO -0.23 0.00 -0.07 -2.08 0.00 0.00 0.00 176.54 174.16 3kl2 h VAL 117 N 0.00 1.29 -0.05 4.60 2.07 -1.36 -0.70 116.25 122.09 3kl2 h VAL 117 Ca -0.00 -1.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.35 3kl2 h VAL 117 Cb 0.92 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 3kl2 h VAL 117 CO 0.06 0.34 -0.23 0.58 0.02 0.00 0.00 177.57 178.35 3kl2 h VAL 118 N 0.18 1.45 -0.54 2.57 2.07 -1.29 -1.07 116.25 119.61 3kl2 h VAL 118 Ca 0.06 -1.66 -0.02 0.00 0.82 0.00 0.00 66.70 65.89 3kl2 h VAL 118 Cb 0.55 2.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 3kl2 h VAL 118 CO 0.03 0.47 0.24 0.44 0.02 0.00 0.00 177.57 178.76 3kl2 h ASP 119 N -0.28 0.70 -0.03 0.57 3.32 -1.20 -2.39 116.42 117.10 3kl2 h ASP 119 Ca -0.01 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3kl2 h ASP 119 Cb 0.87 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.25 3kl2 h ASP 119 CO 0.05 0.61 0.00 0.61 -1.72 0.00 0.00 179.24 178.79 3kl2 n GLY 120 N -1.14 -0.21 3.84 2.75 0.00 -0.27 -4.96 105.19 105.20 3kl2 n GLY 120 Ca 0.05 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 3kl2 n GLY 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kl2 n LYS 121 N -0.09 -3.07 -3.81 1.61 5.02 -0.83 -4.97 118.16 112.01 3kl2 n LYS 121 Ca 0.19 0.45 -0.32 0.00 -2.02 0.00 0.00 58.31 56.62 3kl2 n LYS 121 Cb 0.29 -4.53 -0.04 0.00 -0.02 0.00 0.00 35.03 30.72 3kl2 n LYS 121 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kl2 s ALA 122 N -3.79 3.91 -1.21 7.82 0.00 -0.47 -4.57 121.76 123.46 3kl2 s ALA 122 Ca 0.12 -0.71 -0.05 0.00 0.00 0.00 0.00 51.96 51.31 3kl2 s ALA 122 Cb -0.04 -1.96 0.01 0.00 0.00 0.00 0.00 23.12 21.12 3kl2 s ALA 122 CO 0.87 0.75 0.68 1.19 0.00 0.00 0.00 175.76 179.25 3kl2 n PHE 123 N 0.33 -1.89 -2.23 0.00 3.01 -1.26 -4.82 117.46 110.60 3kl2 n PHE 123 Ca -0.05 0.58 -0.42 0.00 1.01 0.00 0.00 57.45 58.57 3kl2 n PHE 123 Cb 0.51 -4.03 -0.03 0.00 -0.01 0.00 0.00 39.48 35.92 3kl2 n PHE 123 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kl2 s VAL 124 N -3.14 3.44 0.06 -4.37 1.01 -1.26 -0.82 120.40 115.32 3kl2 s VAL 124 Ca 0.33 1.05 -0.35 0.00 0.00 0.00 0.00 61.98 63.01 3kl2 s VAL 124 Cb -0.15 -3.67 -0.14 0.00 0.00 0.00 0.00 36.38 32.42 3kl2 s VAL 124 CO 0.41 0.09 1.59 1.17 0.00 0.00 0.00 175.10 178.36 3kl2 n LYS 125 N 3.80 1.81 -0.64 2.72 4.81 0.38 -2.26 118.16 128.77 3kl2 n LYS 125 Ca 0.10 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 3kl2 n LYS 125 Cb 0.43 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.08 3kl2 n LYS 125 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kl2 n GLY 126 N 3.43 0.81 3.95 3.14 0.00 -1.26 -4.82 105.19 110.43 3kl2 n GLY 126 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 3kl2 n GLY 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kl2 s THR 127 N -3.15 3.78 0.41 2.61 -4.23 -0.96 -4.98 115.64 109.12 3kl2 s THR 127 Ca 0.00 -0.39 0.08 0.00 -1.18 0.00 0.00 61.69 60.20 3kl2 s THR 127 Cb 0.00 -3.42 0.24 0.00 1.34 0.00 0.00 72.50 70.66 3kl2 s THR 127 CO 0.00 -0.33 2.03 -0.25 -0.54 0.00 0.00 174.62 175.53 3kl2 h TRP 128 N 0.23 0.43 -0.86 3.99 7.01 -1.96 -2.09 115.95 122.69 3kl2 h TRP 128 Ca -0.46 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.51 3kl2 h TRP 128 Cb 1.26 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 28.14 3kl2 h TRP 128 CO 0.45 0.32 0.42 0.78 -2.79 0.00 0.00 178.44 177.62 3kl2 h GLY 129 N 0.55 1.33 2.00 2.65 0.00 -1.93 -2.72 103.07 104.94 3kl2 h GLY 129 Ca 0.11 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3kl2 h GLY 129 CO -0.02 0.62 0.00 0.00 0.00 0.00 0.00 176.54 177.14 3kl2 h ALA 130 N 1.23 1.00 -2.44 3.60 0.00 -1.57 -0.11 119.26 120.97 3kl2 h ALA 130 Ca 0.30 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.73 3kl2 h ALA 130 Cb 0.11 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.91 3kl2 h ALA 130 CO -0.04 0.00 0.40 0.00 0.00 0.00 0.00 179.25 179.61 3kl2 s ALA 131 N -3.40 3.04 0.24 0.00 0.00 -1.03 -4.77 121.76 115.84 3kl2 s ALA 131 Ca 0.05 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.36 3kl2 s ALA 131 Cb 0.08 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.85 3kl2 s ALA 131 CO 0.56 -0.20 1.29 0.42 0.00 0.00 0.00 175.76 177.83 3kl2 s ILE 132 N -1.76 3.08 0.46 0.00 1.01 -1.26 -0.97 121.20 121.75 3kl2 s ILE 132 Ca 0.60 0.96 -0.23 0.00 0.00 0.00 0.00 60.65 61.97 3kl2 s ILE 132 Cb -0.20 -3.61 -0.09 0.00 0.01 0.00 0.00 42.46 38.57 3kl2 s ILE 132 CO 0.25 0.17 1.08 0.55 0.00 0.00 0.00 174.94 176.99 3kl2 n VAL 133 N 1.99 2.75 -0.20 2.92 3.14 -0.08 -4.74 118.33 124.11 3kl2 n VAL 133 Ca 0.04 -0.50 -0.01 0.00 -2.96 0.00 0.00 64.34 60.91 3kl2 n VAL 133 Cb 0.43 -1.28 0.23 0.00 -1.06 0.00 0.00 33.84 32.15 3kl2 n VAL 133 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 3kl2 h ASP 134 N 1.48 0.85 0.27 6.55 3.32 -1.92 -2.34 116.42 124.63 3kl2 h ASP 134 Ca -0.46 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.53 3kl2 h ASP 134 Cb 1.33 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 3kl2 h ASP 134 CO 0.56 0.67 -0.00 -0.33 -1.72 0.00 0.00 179.24 178.42 3kl2 h GLU 135 N 0.97 0.00 0.00 3.56 3.07 -1.99 -2.36 114.58 117.83 3kl2 h GLU 135 Ca 0.25 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.09 3kl2 h GLU 135 Cb 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.86 3kl2 h GLU 135 CO -0.04 0.00 -0.50 1.28 -1.40 0.00 0.00 179.01 178.35 3kl2 n LEU 136 N -3.13 2.40 -4.76 1.33 4.77 -0.90 -4.98 117.00 111.73 3kl2 n LEU 136 Ca -0.02 -3.51 -0.41 0.00 -0.03 0.00 0.00 56.01 52.04 3kl2 n LEU 136 Cb 0.14 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.77 3kl2 n LEU 136 CO 0.22 1.18 1.23 0.00 -1.33 0.00 0.00 177.39 178.70 3kl2 s ALA 137 N -2.73 3.71 0.17 -1.18 0.00 -0.89 -4.85 121.76 116.00 3kl2 s ALA 137 Ca 0.36 1.60 -0.32 0.00 0.00 0.00 0.00 51.96 53.60 3kl2 s ALA 137 Cb 0.35 -3.65 -0.11 0.00 0.00 0.00 0.00 23.12 19.72 3kl2 s ALA 137 CO -0.07 -1.03 1.66 -2.14 0.00 0.00 0.00 175.76 174.19 3kl2 s PRO 138 N -0.94 4.17 0.23 0.00 0.02 -1.26 -5.00 135.00 132.21 3kl2 s PRO 138 Ca 0.61 2.48 0.07 0.00 0.02 0.00 0.00 61.00 64.17 3kl2 s PRO 138 Cb -0.48 -3.20 -0.04 0.00 0.02 0.00 0.00 34.50 30.80 3kl2 s PRO 138 CO 0.52 -0.70 0.18 0.14 -0.33 0.00 0.00 177.00 176.81 3kl2 s VAL 139 N 1.44 4.44 0.00 3.83 -7.23 -1.26 -4.99 120.40 116.63 3kl2 s VAL 139 Ca 0.73 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.57 3kl2 s VAL 139 Cb -0.46 -3.37 0.00 0.00 0.56 0.00 0.00 36.38 33.11 3kl2 s VAL 139 CO 0.32 -0.29 0.00 -0.46 -0.31 0.00 0.00 175.10 174.36 3kl2 n ASN 140 N -0.96 0.00 0.00 4.85 6.94 -1.26 -1.22 115.26 123.61 3kl2 n ASN 140 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.48 3kl2 n ASN 140 Cb 0.57 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 3kl2 n ASN 140 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kl2 n GLY 141 N 0.00 2.47 3.47 4.83 0.00 -1.26 -5.02 105.19 109.68 3kl2 n GLY 141 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3kl2 n GLY 141 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kl2 n ASP 142 N 0.00 -0.80 -4.77 1.61 9.92 -0.36 -4.89 116.55 117.26 3kl2 n ASP 142 Ca 0.00 0.87 -0.36 0.00 -0.53 0.00 0.00 54.79 54.77 3kl2 n ASP 142 Cb 0.00 -1.14 -0.08 0.00 -0.64 0.00 0.00 41.12 39.26 3kl2 n ASP 142 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kl2 s ILE 143 N -1.54 4.83 -0.28 0.53 1.01 -0.49 -4.93 121.20 120.33 3kl2 s ILE 143 Ca 0.65 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.24 3kl2 s ILE 143 Cb -0.55 -3.07 0.06 0.00 0.01 0.00 0.00 42.46 38.90 3kl2 s ILE 143 CO 0.57 0.60 -0.05 -0.69 0.00 0.00 0.00 174.94 175.38 3kl2 s VAL 144 N -0.96 2.61 0.24 2.92 1.01 -1.26 -0.47 120.40 124.50 3kl2 s VAL 144 Ca 0.14 -1.53 -0.30 0.00 0.00 0.00 0.00 61.98 60.29 3kl2 s VAL 144 Cb -0.12 -2.53 -0.11 0.00 0.00 0.00 0.00 36.38 33.63 3kl2 s VAL 144 CO 0.03 -0.09 1.53 -0.63 0.00 0.00 0.00 175.10 175.94 3kl2 s ILE 145 N 1.17 2.41 0.01 2.22 -1.09 0.11 -4.93 121.20 121.11 3kl2 s ILE 145 Ca -0.06 0.33 0.04 0.00 -2.23 0.00 0.00 60.65 58.73 3kl2 s ILE 145 Cb -0.20 -3.21 -0.03 0.00 -1.58 0.00 0.00 42.46 37.43 3kl2 s ILE 145 CO -0.03 0.05 -0.07 -1.61 -1.23 0.00 0.00 174.94 172.04 3kl2 s GLU 146 N -0.03 2.50 0.00 2.79 2.02 -1.26 -4.44 118.70 120.28 3kl2 s GLU 146 Ca 0.64 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.87 3kl2 s GLU 146 Cb -0.45 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.31 3kl2 s GLU 146 CO 0.42 0.59 0.00 0.41 0.02 0.00 0.00 175.26 176.70 3kl2 n GLY 147 N 1.47 2.28 3.65 -1.39 0.00 -1.26 -2.72 105.19 107.21 3kl2 n GLY 147 Ca -0.15 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.34 3kl2 n GLY 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kl2 n LYS 148 N -0.67 1.39 0.00 1.61 4.81 -1.24 -4.69 118.16 119.38 3kl2 n LYS 148 Ca 0.00 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 3kl2 n LYS 148 Cb 0.00 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 32.85 3kl2 n LYS 148 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3kl2 n ARG 149 N 3.92 0.65 0.00 1.64 5.12 -1.26 -3.51 116.66 123.21 3kl2 n ARG 149 Ca 0.21 -0.09 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 3kl2 n ARG 149 Cb 0.20 -0.45 0.00 0.00 -1.16 0.00 0.00 32.46 31.04 3kl2 n ARG 149 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kl2 n GLY 150 N 0.12 5.85 0.12 -0.13 0.00 -1.26 -5.04 105.19 104.86 3kl2 n GLY 150 Ca 0.00 -1.55 -0.24 0.00 0.00 0.00 0.00 46.02 44.23 3kl2 n GLY 150 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kl2 n LEU 151 N 0.00 2.13 -4.67 0.99 7.99 -1.26 -4.78 117.00 117.39 3kl2 n LEU 151 Ca 0.00 0.31 -0.43 0.00 -0.01 0.00 0.00 56.01 55.89 3kl2 n LEU 151 Cb 0.00 -0.95 -0.02 0.00 -0.11 0.00 0.00 43.42 42.34 3kl2 n LEU 151 CO 0.00 0.52 1.02 -0.62 -1.51 0.00 0.00 177.39 176.80 3kl2 s ASP 152 N -7.04 7.00 0.27 -1.43 -1.08 -1.26 -4.45 116.67 108.68 3kl2 s ASP 152 Ca -0.31 1.76 -0.01 0.00 -0.52 0.00 0.00 52.55 53.47 3kl2 s ASP 152 Cb 0.09 -2.55 0.37 0.00 -1.46 0.00 0.00 42.92 39.37 3kl2 s ASP 152 CO 0.60 -0.67 1.77 0.74 0.52 0.00 0.00 175.17 178.13 3kl2 h THR 153 N 5.24 1.24 0.00 1.71 2.02 -1.86 -1.43 112.91 119.82 3kl2 h THR 153 Ca -0.30 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 65.90 3kl2 h THR 153 Cb 1.13 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 3kl2 h THR 153 CO 0.92 0.34 0.00 0.49 0.37 0.00 0.00 175.52 177.65 3kl2 n PHE 154 N -4.22 0.56 0.14 3.16 3.72 -1.26 -3.35 117.46 116.21 3kl2 n PHE 154 Ca 0.02 0.25 0.11 0.00 -0.05 0.00 0.00 57.45 57.78 3kl2 n PHE 154 Cb 0.29 -0.90 0.05 0.00 -0.94 0.00 0.00 39.48 37.98 3kl2 n PHE 154 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kl2 h ALA 155 N 2.19 0.68 0.00 4.37 0.00 -1.65 -3.38 119.26 121.47 3kl2 h ALA 155 Ca 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3kl2 h ALA 155 Cb 0.19 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 3kl2 h ALA 155 CO 0.00 0.09 -0.52 -1.13 0.00 0.00 0.00 179.25 177.68 3kl2 n SER 156 N -2.85 0.15 -4.11 0.00 3.41 -1.25 -5.07 113.62 103.90 3kl2 n SER 156 Ca 0.01 -1.84 -0.21 0.00 -0.26 0.00 0.00 58.87 56.57 3kl2 n SER 156 Cb 0.57 -0.16 -0.09 0.00 -0.26 0.00 0.00 64.21 64.27 3kl2 n SER 156 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kl2 s THR 157 N 0.00 0.56 -1.00 6.66 -4.23 -1.21 -3.70 115.64 112.71 3kl2 s THR 157 Ca 0.08 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.63 3kl2 s THR 157 Cb 0.09 -2.51 0.23 0.00 1.34 0.00 0.00 72.50 71.65 3kl2 s THR 157 CO -0.04 0.00 0.92 -0.46 -0.54 0.00 0.00 174.62 174.51 3kl2 n ASN 158 N -0.99 2.18 0.28 3.99 0.23 -1.10 -4.50 115.26 115.35 3kl2 n ASN 158 Ca -0.02 -2.23 -0.16 0.00 -0.53 0.00 0.00 54.58 51.65 3kl2 n ASN 158 Cb 0.65 -0.48 -0.08 0.00 -2.08 0.00 0.00 39.78 37.79 3kl2 n ASN 158 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 3kl2 h LEU 159 N 1.20 -0.58 -0.18 -4.53 5.85 -1.85 -2.10 115.31 113.11 3kl2 h LEU 159 Ca 0.00 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.76 3kl2 h LEU 159 Cb 0.82 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.94 3kl2 h LEU 159 CO 0.12 -0.36 -0.26 -0.78 -0.34 0.00 0.00 178.44 176.81 3kl2 h ASP 160 N -0.76 -0.83 -0.75 1.25 1.82 -1.91 -1.05 116.42 114.21 3kl2 h ASP 160 Ca -0.07 0.14 0.17 0.00 -0.39 0.00 0.00 57.03 56.87 3kl2 h ASP 160 Cb 0.56 0.37 -0.13 0.00 0.68 0.00 0.00 39.33 40.81 3kl2 h ASP 160 CO 0.11 -0.30 0.01 0.15 -1.61 0.00 0.00 179.24 177.60 3kl2 h PHE 161 N -0.30 -0.04 0.03 0.28 3.57 -1.84 -1.52 116.94 117.11 3kl2 h PHE 161 Ca 0.12 0.05 -0.19 0.00 3.53 0.00 0.00 57.97 61.48 3kl2 h PHE 161 Cb 0.48 0.13 0.02 0.00 2.79 0.00 0.00 35.95 39.37 3kl2 h PHE 161 CO -0.38 -0.23 -0.76 0.82 -2.23 0.00 0.00 178.31 175.52 3kl2 h ILE 162 N 0.11 1.40 -0.71 1.41 2.04 -0.53 0.43 117.51 121.67 3kl2 h ILE 162 Ca 0.41 -2.21 0.05 0.00 1.00 0.00 0.00 64.86 64.11 3kl2 h ILE 162 Cb 0.71 2.66 -0.05 0.00 -0.74 0.00 0.00 36.82 39.40 3kl2 h ILE 162 CO -0.65 0.65 0.42 -0.07 0.00 0.00 0.00 178.15 178.50 3kl2 h LEU 163 N -0.03 0.65 -0.10 1.44 3.38 -1.01 -0.43 115.31 119.20 3kl2 h LEU 163 Ca -0.10 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 3kl2 h LEU 163 Cb 1.48 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.11 3kl2 h LEU 163 CO 0.15 0.43 -0.23 0.03 0.09 0.00 0.00 178.44 178.90 3kl2 h ARG 164 N 0.78 0.34 -0.87 1.13 2.47 -1.27 0.30 114.38 117.26 3kl2 h ARG 164 Ca 0.30 -0.23 0.14 0.00 -1.26 0.00 0.00 59.98 58.94 3kl2 h ARG 164 Cb 0.13 0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 28.41 3kl2 h ARG 164 CO -0.16 0.83 0.57 1.03 0.56 0.00 0.00 179.97 182.80 3kl2 h SER 165 N -0.10 0.62 0.16 7.04 0.87 -0.69 -2.06 113.55 119.39 3kl2 h SER 165 Ca -0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3kl2 h SER 165 Cb 0.83 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 3kl2 h SER 165 CO 0.05 0.32 -0.10 0.29 -0.53 0.00 0.00 176.83 176.86 3kl2 n LYS 166 N -4.55 1.09 -2.23 2.24 5.02 -0.19 -4.93 118.16 114.61 3kl2 n LYS 166 Ca 0.17 -0.53 -0.11 0.00 -2.02 0.00 0.00 58.31 55.82 3kl2 n LYS 166 Cb 0.48 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3kl2 n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kl2 n GLY 167 N 1.23 -0.10 3.68 0.72 0.00 -0.78 -4.92 105.19 105.02 3kl2 n GLY 167 Ca 0.16 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 3kl2 n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kl2 s VAL 168 N -2.58 4.89 0.00 1.61 1.01 0.98 -4.52 120.40 121.80 3kl2 s VAL 168 Ca 0.00 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.63 3kl2 s VAL 168 Cb -0.00 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3kl2 s VAL 168 CO 0.01 0.05 0.62 -0.90 0.00 0.00 0.00 175.10 174.87 3kl2 n ASP 169 N 5.07 1.21 -4.03 3.32 5.75 -0.39 -4.58 116.55 122.90 3kl2 n ASP 169 Ca 0.04 -1.31 -0.26 0.00 -0.01 0.00 0.00 54.79 53.25 3kl2 n ASP 169 Cb 0.49 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.41 3kl2 n ASP 169 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3kl2 s THR 170 N -0.31 1.25 -0.08 2.12 2.01 -0.73 -0.48 115.64 119.42 3kl2 s THR 170 Ca 0.00 -0.52 0.04 0.00 0.31 0.00 0.00 61.69 61.52 3kl2 s THR 170 Cb 0.00 -1.14 0.00 0.00 0.01 0.00 0.00 72.50 71.37 3kl2 s THR 170 CO 0.00 0.38 -0.20 0.27 -0.69 0.00 0.00 174.62 174.38 3kl2 s ILE 171 N 0.80 1.72 -0.27 1.82 -4.36 -0.16 -1.24 121.20 119.50 3kl2 s ILE 171 Ca -0.12 -0.84 -0.07 0.00 -0.26 0.00 0.00 60.65 59.37 3kl2 s ILE 171 Cb -0.15 -1.49 -0.01 0.00 1.25 0.00 0.00 42.46 42.05 3kl2 s ILE 171 CO 0.02 0.48 0.07 -0.69 0.24 0.00 0.00 174.94 175.06 3kl2 s VAL 172 N 0.30 4.08 -0.10 8.37 1.01 -0.04 -0.19 120.40 133.82 3kl2 s VAL 172 Ca -0.13 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 3kl2 s VAL 172 Cb -0.16 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 3kl2 s VAL 172 CO 0.06 0.21 -0.03 -0.76 0.00 0.00 0.00 175.10 174.58 3kl2 s LEU 173 N 1.55 3.37 0.05 3.92 1.43 0.24 -0.05 118.68 129.19 3kl2 s LEU 173 Ca 0.05 0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 53.04 3kl2 s LEU 173 Cb -0.16 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.31 3kl2 s LEU 173 CO 0.03 0.32 0.29 -0.83 0.23 0.00 0.00 176.35 176.39 3kl2 s GLY 174 N -0.54 -0.11 0.00 -3.19 0.00 -0.97 -1.74 107.32 100.78 3kl2 s GLY 174 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.76 3kl2 s GLY 174 CO 0.02 -0.26 0.00 0.61 0.00 0.00 0.00 173.10 173.47 3kl2 n GLY 175 N 0.52 0.57 3.25 0.20 0.00 0.06 -0.46 105.19 109.33 3kl2 n GLY 175 Ca -0.18 -1.69 -0.20 0.00 0.00 0.00 0.00 46.02 43.95 3kl2 n GLY 175 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kl2 s PHE 176 N -2.91 1.51 0.15 1.61 0.08 -0.62 -1.88 117.98 115.91 3kl2 s PHE 176 Ca 0.00 -0.50 -0.13 0.00 0.12 0.00 0.00 56.93 56.42 3kl2 s PHE 176 Cb 0.00 -0.80 -0.07 0.00 -0.57 0.00 0.00 43.02 41.59 3kl2 s PHE 176 CO 0.00 0.17 0.53 -0.51 -0.10 0.00 0.00 175.22 175.31 3kl2 s LEU 177 N -2.29 4.31 0.22 -0.37 1.43 -1.26 -4.08 118.68 116.65 3kl2 s LEU 177 Ca 0.08 1.00 -0.16 0.00 -1.03 0.00 0.00 54.13 54.03 3kl2 s LEU 177 Cb -0.07 -3.29 0.25 0.00 0.03 0.00 0.00 46.19 43.11 3kl2 s LEU 177 CO 0.04 0.08 1.58 0.74 0.23 0.00 0.00 176.35 179.02 3kl2 h THR 178 N 2.67 0.15 -0.44 5.49 2.02 -1.06 -0.50 112.91 121.23 3kl2 h THR 178 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3kl2 h THR 178 Cb 1.19 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3kl2 h THR 178 CO 0.66 0.00 0.00 -0.46 0.37 0.00 0.00 175.52 176.09 3kl2 n ASN 179 N -5.48 3.44 0.00 4.18 6.94 -1.26 -2.72 115.26 120.35 3kl2 n ASN 179 Ca 0.09 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 52.67 3kl2 n ASN 179 Cb 0.39 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 3kl2 n ASN 179 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kl2 h VAL 182 N 0.73 1.21 -0.55 0.00 2.07 -1.47 -2.07 116.25 116.17 3kl2 h VAL 182 Ca 0.05 -0.66 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 3kl2 h VAL 182 Cb 1.03 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 3kl2 h VAL 182 CO 0.10 0.20 -0.01 -0.08 0.02 0.00 0.00 177.57 177.80 3kl2 h GLU 183 N 0.10 0.98 -0.59 1.57 4.81 -1.42 0.89 114.58 120.92 3kl2 h GLU 183 Ca 0.06 -0.32 0.02 0.00 -0.13 0.00 0.00 59.36 58.99 3kl2 h GLU 183 Cb 0.27 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 3kl2 h GLU 183 CO 0.00 0.99 0.37 0.77 -0.73 0.00 0.00 179.01 180.41 3kl2 h SER 184 N 0.86 0.61 -0.60 1.04 0.02 -1.21 0.86 113.55 115.13 3kl2 h SER 184 Ca 0.15 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.00 3kl2 h SER 184 Cb 0.55 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 3kl2 h SER 184 CO 0.03 0.43 -0.02 0.74 -1.14 0.00 0.00 176.83 176.88 3kl2 h THR 185 N 0.74 1.27 -0.17 -2.27 2.02 -0.73 -1.25 112.91 112.52 3kl2 h THR 185 Ca 0.23 -1.17 0.01 0.00 0.77 0.00 0.00 66.41 66.24 3kl2 h THR 185 Cb -0.02 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3kl2 h THR 185 CO -0.08 0.43 0.10 -0.03 0.37 0.00 0.00 175.52 176.30 3kl2 h MET 186 N 0.97 0.20 -0.01 6.66 -1.53 -0.58 -0.73 114.93 119.92 3kl2 h MET 186 Ca 0.17 -0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.42 3kl2 h MET 186 Cb 0.58 -0.05 -0.00 0.00 -0.55 0.00 0.00 31.60 31.58 3kl2 h MET 186 CO 0.03 0.13 0.00 0.00 0.14 0.00 0.00 176.91 177.22 3kl2 h ARG 187 N 0.21 0.01 -0.41 0.39 3.08 -0.11 -1.51 114.38 116.04 3kl2 h ARG 187 Ca 0.07 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3kl2 h ARG 187 Cb -0.01 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3kl2 h ARG 187 CO -0.03 0.07 0.13 1.15 -1.07 0.00 0.00 179.97 180.22 3kl2 h THR 188 N -0.05 1.22 -0.94 2.04 2.02 -1.27 -2.07 112.91 113.86 3kl2 h THR 188 Ca 0.00 -0.71 0.10 0.00 0.77 0.00 0.00 66.41 66.57 3kl2 h THR 188 Cb 0.06 0.91 -0.08 0.00 -1.74 0.00 0.00 68.15 67.30 3kl2 h THR 188 CO -0.00 0.25 0.58 1.23 0.37 0.00 0.00 175.52 177.95 3kl2 h GLY 189 N 0.52 1.51 0.70 2.16 0.00 -0.82 -0.28 103.07 106.85 3kl2 h GLY 189 Ca 0.13 -0.40 0.04 0.00 0.00 0.00 0.00 47.33 47.11 3kl2 h GLY 189 CO -0.00 0.18 0.16 -1.82 0.00 0.00 0.00 176.54 175.05 3kl2 h TYR 190 N 0.96 0.28 -0.11 5.60 3.20 -1.03 -1.80 116.97 124.07 3kl2 h TYR 190 Ca 0.45 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.28 3kl2 h TYR 190 Cb 0.40 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 3kl2 h TYR 190 CO -0.02 0.13 -0.22 0.93 -1.64 0.00 0.00 178.16 177.34 3kl2 h GLU 191 N 0.33 0.18 -0.40 1.82 4.39 -0.41 -1.50 114.58 118.99 3kl2 h GLU 191 Ca 0.18 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.83 3kl2 h GLU 191 Cb 0.14 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3kl2 h GLU 191 CO -0.16 0.40 0.00 0.54 -1.16 0.00 0.00 179.01 178.62 3kl2 n ARG 192 N -4.21 1.93 -0.92 2.33 1.74 -0.29 -4.93 116.66 112.31 3kl2 n ARG 192 Ca -0.01 -1.29 0.00 0.00 -0.77 0.00 0.00 57.85 55.78 3kl2 n ARG 192 Cb 0.32 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 3kl2 n ARG 192 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kl2 n GLY 193 N 0.98 0.53 3.79 -0.13 0.00 -0.56 -5.04 105.19 104.75 3kl2 n GLY 193 Ca 0.12 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3kl2 n GLY 193 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kl2 s PHE 194 N -2.00 2.91 -0.41 1.61 0.08 -0.71 -5.01 117.98 114.46 3kl2 s PHE 194 Ca 0.00 1.57 -0.23 0.00 0.12 0.00 0.00 56.93 58.39 3kl2 s PHE 194 Cb 0.00 -3.12 0.02 0.00 -0.57 0.00 0.00 43.02 39.35 3kl2 s PHE 194 CO 0.00 -1.02 0.80 0.50 -0.10 0.00 0.00 175.22 175.40 3kl2 s ARG 195 N -3.25 3.57 -0.26 0.44 3.52 0.37 -4.54 118.95 118.80 3kl2 s ARG 195 Ca 0.69 0.11 -0.08 0.00 -0.13 0.00 0.00 55.73 56.31 3kl2 s ARG 195 Cb -0.18 -3.88 -0.03 0.00 -1.56 0.00 0.00 34.95 29.30 3kl2 s ARG 195 CO 0.22 -1.01 0.09 0.08 -0.81 0.00 0.00 175.30 173.87 3kl2 s VAL 196 N 3.25 4.44 -0.21 7.11 1.01 -1.26 -0.99 120.40 133.74 3kl2 s VAL 196 Ca 0.31 -0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.06 3kl2 s VAL 196 Cb -0.12 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3kl2 s VAL 196 CO 0.20 0.30 0.06 -0.63 0.00 0.00 0.00 175.10 175.03 3kl2 s ILE 197 N 1.63 4.52 -0.23 2.22 1.01 0.73 -0.94 121.20 130.14 3kl2 s ILE 197 Ca 0.06 -0.12 -0.09 0.00 0.00 0.00 0.00 60.65 60.50 3kl2 s ILE 197 Cb -0.15 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 3kl2 s ILE 197 CO 0.05 0.41 0.12 0.42 0.00 0.00 0.00 174.94 175.93 3kl2 s THR 198 N 0.90 4.98 -0.67 2.92 -4.23 -1.04 -0.59 115.64 117.91 3kl2 s THR 198 Ca 0.03 0.05 -0.27 0.00 -1.18 0.00 0.00 61.69 60.32 3kl2 s THR 198 Cb -0.14 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.39 3kl2 s THR 198 CO 0.03 0.36 1.59 -0.76 -0.54 0.00 0.00 174.62 175.30 3kl2 s LEU 199 N 1.09 3.23 0.55 4.79 1.43 -0.71 0.26 118.68 129.32 3kl2 s LEU 199 Ca 0.06 -0.04 0.27 0.00 -1.03 0.00 0.00 54.13 53.39 3kl2 s LEU 199 Cb -0.14 -2.54 1.60 0.00 0.03 0.00 0.00 46.19 45.14 3kl2 s LEU 199 CO 0.04 -2.13 2.16 0.71 0.23 0.00 0.00 176.35 177.36 3kl2 h THR 200 N 6.50 0.60 -0.42 5.49 1.35 -0.92 -2.30 112.91 123.21 3kl2 h THR 200 Ca -0.26 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3kl2 h THR 200 Cb 1.11 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 3kl2 h THR 200 CO 1.25 0.06 0.00 -0.90 -0.25 0.00 0.00 175.52 175.68 3kl2 n ASP 201 N -3.83 4.23 -1.05 5.36 5.75 -1.26 -4.43 116.55 121.33 3kl2 n ASP 201 Ca -0.02 -2.68 -0.02 0.00 -0.01 0.00 0.00 54.79 52.06 3kl2 n ASP 201 Cb 0.15 -0.52 0.15 0.00 -1.03 0.00 0.00 41.12 39.87 3kl2 n ASP 201 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kl2 s VAL 203 N -3.46 0.73 0.11 0.00 -7.23 -1.25 -0.76 120.40 108.53 3kl2 s VAL 203 Ca 0.41 -1.96 -0.16 0.00 -1.81 0.00 0.00 61.98 58.46 3kl2 s VAL 203 Cb 0.38 -1.77 0.03 0.00 0.56 0.00 0.00 36.38 35.58 3kl2 s VAL 203 CO -0.05 -0.80 0.39 0.00 -0.31 0.00 0.00 175.10 174.34 3kl2 s ALA 204 N -3.60 -0.91 0.21 1.32 0.00 -0.79 -4.86 121.76 113.13 3kl2 s ALA 204 Ca 0.14 -0.00 -0.03 0.00 0.00 0.00 0.00 51.96 52.07 3kl2 s ALA 204 Cb 0.05 0.61 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 3kl2 s ALA 204 CO -0.03 -0.60 0.20 0.00 0.00 0.00 0.00 175.76 175.33 3kl2 s ALA 205 N -3.52 0.88 -0.59 0.00 0.00 -1.26 -0.60 121.76 116.67 3kl2 s ALA 205 Ca 0.01 -1.53 0.24 0.00 0.00 0.00 0.00 51.96 50.68 3kl2 s ALA 205 Cb 0.01 1.31 0.93 0.00 0.00 0.00 0.00 23.12 25.37 3kl2 s ALA 205 CO -0.10 -0.64 1.71 0.25 0.00 0.00 0.00 175.76 176.99 3kl2 n THR 206 N -0.29 0.77 -3.97 0.00 -2.24 -1.26 -4.44 114.28 102.85 3kl2 n THR 206 Ca 0.01 0.11 -0.08 0.00 -2.27 0.00 0.00 64.05 61.82 3kl2 n THR 206 Cb 0.65 -1.01 -0.09 0.00 -2.10 0.00 0.00 70.33 67.79 3kl2 n THR 206 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kl2 s SER 207 N -4.18 0.30 0.07 3.42 1.04 -1.26 -4.74 113.70 108.35 3kl2 s SER 207 Ca 0.06 -0.82 -0.15 0.00 0.48 0.00 0.00 55.95 55.52 3kl2 s SER 207 Cb 0.10 0.27 -0.18 0.00 0.10 0.00 0.00 66.02 66.31 3kl2 s SER 207 CO 0.43 -0.66 1.25 -0.61 0.98 0.00 0.00 173.24 174.63 3kl2 h GLN 208 N 2.97 0.67 -0.02 4.02 5.75 -1.96 -1.59 115.11 124.96 3kl2 h GLN 208 Ca -0.34 -0.59 -0.00 0.00 -0.15 0.00 0.00 58.65 57.57 3kl2 h GLN 208 Cb 1.17 0.13 -0.00 0.00 1.07 0.00 0.00 27.48 29.85 3kl2 h GLN 208 CO 0.61 1.20 0.01 0.93 -2.65 0.00 0.00 178.83 178.92 3kl2 h GLU 209 N 0.35 0.02 -0.50 1.69 3.07 -1.99 0.53 114.58 117.75 3kl2 h GLU 209 Ca -0.06 -0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.89 3kl2 h GLU 209 Cb 1.37 -0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 29.20 3kl2 h GLU 209 CO 0.15 0.13 0.03 0.93 -1.40 0.00 0.00 179.01 178.84 3kl2 h GLU 210 N -0.09 0.14 -0.52 2.33 5.08 -1.97 -0.34 114.58 119.21 3kl2 h GLU 210 Ca 0.01 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3kl2 h GLU 210 Cb 0.11 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 3kl2 h GLU 210 CO -0.00 0.09 0.30 1.25 -1.00 0.00 0.00 179.01 179.65 3kl2 h HIS 211 N 0.14 0.56 -0.27 4.33 2.76 -1.02 -2.72 115.15 118.93 3kl2 h HIS 211 Ca 0.26 0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 58.27 3kl2 h HIS 211 Cb 0.38 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.16 3kl2 h HIS 211 CO -0.29 0.31 -0.51 -0.91 -1.30 0.00 0.00 177.93 175.23 3kl2 h ASN 212 N 0.60 0.85 -0.10 3.26 2.35 -0.33 -2.68 115.58 119.52 3kl2 h ASN 212 Ca 0.21 -0.44 0.02 0.00 -0.55 0.00 0.00 56.30 55.55 3kl2 h ASN 212 Cb 0.04 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 3kl2 h ASN 212 CO -0.11 1.20 -0.03 0.78 -1.65 0.00 0.00 177.43 177.63 3kl2 h ASN 213 N 0.60 -0.11 -0.02 5.81 -0.26 -1.03 -1.38 115.58 119.18 3kl2 h ASN 213 Ca 0.02 0.03 0.01 0.00 -0.56 0.00 0.00 56.30 55.81 3kl2 h ASN 213 Cb 1.09 0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 38.41 3kl2 h ASN 213 CO 0.11 -0.04 -0.04 0.00 -1.06 0.00 0.00 177.43 176.39 3kl2 h ALA 214 N 1.09 -0.02 -0.47 -0.83 0.00 -1.44 -0.88 119.26 116.72 3kl2 h ALA 214 Ca 0.05 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3kl2 h ALA 214 Cb 0.09 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3kl2 h ALA 214 CO -0.11 -0.53 -0.21 0.82 0.00 0.00 0.00 179.25 179.22 3kl2 h ILE 215 N -0.07 1.27 -0.03 0.00 2.04 -1.43 0.95 117.51 120.24 3kl2 h ILE 215 Ca 0.03 -1.37 -0.19 0.00 1.00 0.00 0.00 64.86 64.33 3kl2 h ILE 215 Cb 0.10 1.13 0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3kl2 h ILE 215 CO -0.07 0.47 -0.71 0.28 0.00 0.00 0.00 178.15 178.12 3kl2 h SER 216 N 0.83 0.69 0.00 1.72 0.02 -1.16 -3.35 113.55 112.29 3kl2 h SER 216 Ca 0.11 -0.72 -0.43 0.00 -0.84 0.00 0.00 61.79 59.91 3kl2 h SER 216 Cb 0.78 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 63.04 3kl2 h SER 216 CO 0.06 1.31 -2.49 -1.22 -1.14 0.00 0.00 176.83 173.35 3kl2 n TYR 217 N -4.10 0.04 -0.05 3.45 4.01 -0.34 -4.72 117.16 115.44 3kl2 n TYR 217 Ca -0.10 0.01 -0.15 0.00 -0.16 0.00 0.00 57.90 57.50 3kl2 n TYR 217 Cb 0.72 -1.00 -0.14 0.00 -0.31 0.00 0.00 39.34 38.61 3kl2 n TYR 217 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3kl2 n ASP 218 N -3.75 1.41 -0.11 7.72 8.00 0.11 -4.28 116.55 125.65 3kl2 n ASP 218 Ca -0.50 0.14 -0.07 0.00 0.71 0.00 0.00 54.79 55.07 3kl2 n ASP 218 Cb 0.94 -0.24 0.01 0.00 -0.02 0.00 0.00 41.12 41.81 3kl2 n ASP 218 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3kl2 h PHE 219 N 0.03 0.36 -0.02 1.24 0.05 -1.08 -2.09 116.94 115.43 3kl2 h PHE 219 Ca -0.45 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.36 3kl2 h PHE 219 Cb 2.04 -0.11 -0.00 0.00 2.00 0.00 0.00 35.95 39.87 3kl2 h PHE 219 CO 0.03 0.20 0.02 -1.35 -0.18 0.00 0.00 178.31 177.04 3kl2 h PRO 220 N 0.40 0.00 -0.47 1.51 0.11 -1.77 -0.14 132.00 131.64 3kl2 h PRO 220 Ca 0.15 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.14 3kl2 h PRO 220 Cb 0.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 3kl2 h PRO 220 CO -0.08 0.00 -0.17 0.52 -0.21 0.00 0.00 178.00 178.05 3kl2 h MET 221 N 0.00 0.94 -0.01 1.05 2.86 -1.56 -3.37 114.93 114.84 3kl2 h MET 221 Ca 0.01 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 3kl2 h MET 221 Cb 0.05 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3kl2 h MET 221 CO -0.00 1.05 0.00 1.19 1.06 0.00 0.00 176.91 180.21 3kl2 n PHE 222 N -4.18 0.01 -3.86 -0.22 3.72 -0.81 -5.07 117.46 107.05 3kl2 n PHE 222 Ca -0.00 -0.43 -0.08 0.00 -0.05 0.00 0.00 57.45 56.89 3kl2 n PHE 222 Cb 0.43 -0.04 -0.01 0.00 -0.94 0.00 0.00 39.48 38.91 3kl2 n PHE 222 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3kl2 s SER 223 N -0.87 -0.13 -0.43 4.37 1.04 -0.13 -4.56 113.70 113.00 3kl2 s SER 223 Ca 0.01 -0.83 -0.10 0.00 0.48 0.00 0.00 55.95 55.51 3kl2 s SER 223 Cb 0.00 0.75 0.08 0.00 0.10 0.00 0.00 66.02 66.96 3kl2 s SER 223 CO 0.00 -1.44 0.28 -0.69 0.98 0.00 0.00 173.24 172.38 3kl2 s VAL 224 N -3.40 4.36 0.05 5.02 1.01 -0.12 -4.43 120.40 122.89 3kl2 s VAL 224 Ca 0.14 -1.37 -0.30 0.00 0.00 0.00 0.00 61.98 60.45 3kl2 s VAL 224 Cb -0.05 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 3kl2 s VAL 224 CO 0.09 -0.53 1.07 -2.84 0.00 0.00 0.00 175.10 172.89 3kl2 s PRO 225 N 1.45 4.53 0.02 2.72 0.02 -1.26 -2.50 135.00 139.97 3kl2 s PRO 225 Ca 0.03 1.59 -0.01 0.00 0.02 0.00 0.00 61.00 62.63 3kl2 s PRO 225 Cb -0.23 -3.39 -0.02 0.00 0.02 0.00 0.00 34.50 30.88 3kl2 s PRO 225 CO 0.03 -0.09 -0.02 -1.64 -0.33 0.00 0.00 177.00 174.95 3kl2 s MET 226 N 0.80 0.33 0.75 5.54 -1.94 0.14 -4.94 119.30 119.97 3kl2 s MET 226 Ca 0.54 -0.60 -0.12 0.00 -1.71 0.00 0.00 55.69 53.80 3kl2 s MET 226 Cb -0.25 0.12 0.04 0.00 2.01 0.00 0.00 34.83 36.74 3kl2 s MET 226 CO 0.29 -0.06 1.13 0.95 -0.01 0.00 0.00 175.02 177.32 3kl2 s THR 227 N -1.49 2.95 0.30 2.05 -4.23 -1.26 -0.20 115.64 113.76 3kl2 s THR 227 Ca -0.16 0.31 0.01 0.00 -1.18 0.00 0.00 61.69 60.67 3kl2 s THR 227 Cb -0.10 -3.30 0.14 0.00 1.34 0.00 0.00 72.50 70.59 3kl2 s THR 227 CO -0.01 -0.40 1.83 0.77 -0.54 0.00 0.00 174.62 176.27 3kl2 h SER 228 N -0.81 0.63 -0.54 3.99 4.64 -1.93 -2.70 113.55 116.84 3kl2 h SER 228 Ca -0.45 -0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 60.70 3kl2 h SER 228 Cb 1.28 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 3kl2 h SER 228 CO 0.64 0.68 0.20 0.00 -0.87 0.00 0.00 176.83 177.49 3kl2 h ALA 229 N 1.39 0.70 -0.73 5.18 0.00 -1.96 0.33 119.26 124.17 3kl2 h ALA 229 Ca 0.13 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3kl2 h ALA 229 Cb 0.36 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3kl2 h ALA 229 CO 0.01 0.32 0.47 -0.44 0.00 0.00 0.00 179.25 179.61 3kl2 h ASP 230 N 0.73 0.80 0.17 0.00 3.32 -1.87 -0.73 116.42 118.84 3kl2 h ASP 230 Ca 0.18 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.04 3kl2 h ASP 230 Cb 0.22 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3kl2 h ASP 230 CO -0.01 0.57 -0.65 0.58 -1.72 0.00 0.00 179.24 178.00 3kl2 h VAL 231 N 0.95 1.35 -0.35 -1.35 2.07 -1.22 -1.34 116.25 116.36 3kl2 h VAL 231 Ca 0.28 -1.99 -0.01 0.00 0.82 0.00 0.00 66.70 65.80 3kl2 h VAL 231 Cb -0.05 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 3kl2 h VAL 231 CO -0.08 0.61 0.19 0.40 0.02 0.00 0.00 177.57 178.70 3kl2 h ILE 232 N 0.33 1.14 -0.46 4.57 2.04 -0.55 -0.66 117.51 123.93 3kl2 h ILE 232 Ca -0.02 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 3kl2 h ILE 232 Cb 1.21 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 3kl2 h ILE 232 CO 0.12 0.15 0.25 0.00 0.00 0.00 0.00 178.15 178.66 3kl2 h ALA 233 N 1.05 0.58 -0.26 1.87 0.00 -0.97 -2.04 119.26 119.49 3kl2 h ALA 233 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kl2 h ALA 233 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3kl2 h ALA 233 CO -0.02 0.11 0.17 0.00 0.00 0.00 0.00 179.25 179.51 3kl2 h ALA 234 N 1.10 1.81 0.00 0.00 0.00 -1.00 -2.27 119.26 118.90 3kl2 h ALA 234 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kl2 h ALA 234 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kl2 h ALA 234 CO -0.03 0.17 0.00 -0.07 0.00 0.00 0.00 179.25 179.33 3kl2 h LEU 235 N 0.36 0.00 -1.78 0.00 3.38 -0.42 -3.40 115.31 113.46 3kl2 h LEU 235 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kl2 h LEU 235 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3kl2 h LEU 235 CO -0.02 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.89