#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 2.17 -0.35 -1.84 1.43 -1.26 -5.11 118.68 113.72 3kl2 s LEU 38 Ca 0.00 -0.76 -0.24 0.00 -1.03 0.00 0.00 54.13 52.10 3kl2 s LEU 38 Cb 0.00 -1.30 0.01 0.00 0.03 0.00 0.00 46.19 44.93 3kl2 s LEU 38 CO 0.00 -0.09 0.84 -0.62 0.23 0.00 0.00 176.35 176.71 3kl2 s ASP 39 N 1.37 6.64 0.40 2.29 3.68 -1.26 -4.91 116.67 124.88 3kl2 s ASP 39 Ca 0.01 0.54 0.10 0.00 2.13 0.00 0.00 52.55 55.33 3kl2 s ASP 39 Cb -0.15 -2.43 0.85 0.00 -1.45 0.00 0.00 42.92 39.74 3kl2 s ASP 39 CO -0.10 -0.75 1.97 -0.65 0.13 0.00 0.00 175.17 175.77 3kl2 h PRO 40 N 8.37 0.28 0.00 4.34 0.11 -1.94 -0.40 132.00 142.76 3kl2 h PRO 40 Ca -0.24 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3kl2 h PRO 40 Cb 1.09 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3kl2 h PRO 40 CO 0.93 0.34 0.00 0.00 -0.21 0.00 0.00 178.00 179.06 3kl2 n ALA 41 N -2.49 1.85 -0.53 -0.75 0.00 -1.26 -3.27 120.51 114.05 3kl2 n ALA 41 Ca -0.00 -0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.38 3kl2 n ALA 41 Cb 0.21 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 18.43 3kl2 n ALA 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kl2 n ARG 42 N -1.27 1.79 -4.30 0.00 3.00 -0.18 -4.63 116.66 111.07 3kl2 n ARG 42 Ca 0.07 -1.34 -0.20 0.00 -0.01 0.00 0.00 57.85 56.37 3kl2 n ARG 42 Cb 0.11 -0.90 -0.11 0.00 0.00 0.00 0.00 32.46 31.56 3kl2 n ARG 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3kl2 s THR 43 N -0.91 1.63 -0.12 0.55 2.01 -1.08 -1.34 115.64 116.38 3kl2 s THR 43 Ca 0.04 -1.90 -0.18 0.00 0.31 0.00 0.00 61.69 59.96 3kl2 s THR 43 Cb 0.04 -1.78 0.04 0.00 0.01 0.00 0.00 72.50 70.81 3kl2 s THR 43 CO 0.00 -0.40 0.46 0.00 -0.69 0.00 0.00 174.62 173.99 3kl2 s ALA 44 N -2.25 -1.14 -0.15 7.40 0.00 -0.74 -4.02 121.76 120.86 3kl2 s ALA 44 Ca 0.15 1.08 -0.14 0.00 0.00 0.00 0.00 51.96 53.04 3kl2 s ALA 44 Cb -0.04 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 3kl2 s ALA 44 CO 0.05 -0.25 0.32 0.42 0.00 0.00 0.00 175.76 176.31 3kl2 s ILE 45 N -0.32 5.28 -0.19 0.00 -1.09 -0.87 -1.38 121.20 122.61 3kl2 s ILE 45 Ca -0.05 0.62 0.01 0.00 -2.23 0.00 0.00 60.65 59.01 3kl2 s ILE 45 Cb -0.03 -3.66 0.03 0.00 -1.58 0.00 0.00 42.46 37.21 3kl2 s ILE 45 CO 0.03 0.39 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.26 3kl2 s VAL 46 N 0.40 2.09 -0.34 2.92 1.01 0.55 -0.94 120.40 126.09 3kl2 s VAL 46 Ca 0.18 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.02 3kl2 s VAL 46 Cb -0.13 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.33 3kl2 s VAL 46 CO 0.05 0.44 0.15 -0.76 0.00 0.00 0.00 175.10 174.98 3kl2 s LEU 47 N 1.26 4.32 -0.38 3.92 1.43 -0.03 -2.74 118.68 126.46 3kl2 s LEU 47 Ca 0.03 -0.85 -0.18 0.00 -1.03 0.00 0.00 54.13 52.09 3kl2 s LEU 47 Cb -0.14 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.12 3kl2 s LEU 47 CO -0.12 -0.29 0.51 -0.63 0.23 0.00 0.00 176.35 176.06 3kl2 s ILE 48 N 1.53 5.00 -1.35 -0.59 1.01 0.05 -1.08 121.20 125.78 3kl2 s ILE 48 Ca 0.02 0.13 -0.07 0.00 0.00 0.00 0.00 60.65 60.73 3kl2 s ILE 48 Cb -0.18 -4.02 0.01 0.00 0.01 0.00 0.00 42.46 38.28 3kl2 s ILE 48 CO 0.05 -0.33 0.91 -0.62 0.00 0.00 0.00 174.94 174.95 3kl2 n GLU 49 N 5.79 -6.40 -1.96 2.79 1.02 0.10 -2.01 120.64 119.97 3kl2 n GLU 49 Ca -0.05 0.81 -0.41 0.00 -0.02 0.00 0.00 57.16 57.49 3kl2 n GLU 49 Cb 0.48 -5.65 -0.01 0.00 -0.02 0.00 0.00 31.44 26.23 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 -4.71 3.59 -4.34 -0.32 4.01 -1.26 -4.68 117.16 109.46 3kl2 n TYR 50 Ca -0.04 -2.62 -0.24 0.00 -0.16 0.00 0.00 57.90 54.85 3kl2 n TYR 50 Cb 0.58 -2.47 -0.12 0.00 -0.31 0.00 0.00 39.34 37.02 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 4.11 1.29 0.42 -0.72 -0.21 -1.26 -1.08 119.66 122.20 3kl2 s GLN 51 Ca 0.53 -1.36 0.10 0.00 0.02 0.00 0.00 55.36 54.66 3kl2 s GLN 51 Cb 0.09 -1.48 0.94 0.00 1.00 0.00 0.00 33.01 33.56 3kl2 s GLN 51 CO 0.02 0.32 2.01 -0.91 -2.12 0.00 0.00 175.29 174.60 3kl2 h ASN 52 N 3.51 0.44 -1.06 5.90 2.35 -1.17 0.66 115.58 126.22 3kl2 h ASN 52 Ca -0.45 0.00 0.28 0.00 -0.55 0.00 0.00 56.30 55.59 3kl2 h ASN 52 Cb 1.20 -0.09 -0.11 0.00 0.05 0.00 0.00 38.32 39.36 3kl2 h ASN 52 CO 0.46 0.29 0.66 -0.08 -1.65 0.00 0.00 177.43 177.11 3kl2 h GLU 53 N 0.50 0.39 0.03 0.81 4.57 -1.38 -2.00 114.58 117.50 3kl2 h GLU 53 Ca 0.24 -0.02 -0.38 0.00 -1.18 0.00 0.00 59.36 58.01 3kl2 h GLU 53 Cb 0.30 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.74 3kl2 h GLU 53 CO -0.07 0.26 -2.18 1.19 -1.18 0.00 0.00 179.01 177.04 3kl2 n PHE 54 N -4.73 0.44 0.07 0.92 3.72 0.05 -1.36 117.46 116.57 3kl2 n PHE 54 Ca 0.27 0.14 -0.06 0.00 -0.05 0.00 0.00 57.45 57.75 3kl2 n PHE 54 Cb 0.91 -1.05 -0.10 0.00 -0.94 0.00 0.00 39.48 38.30 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 -0.48 1.53 -4.35 4.37 1.35 -0.94 -3.35 112.91 111.03 3kl2 h THR 55 Ca -0.55 -3.19 -0.66 0.00 -0.55 0.00 0.00 66.41 61.46 3kl2 h THR 55 Cb 1.73 2.75 -0.27 0.00 -1.73 0.00 0.00 68.15 70.63 3kl2 h THR 55 CO -0.18 0.87 -0.87 -0.44 -0.25 0.00 0.00 175.52 174.65 3kl2 s SER 56 N -6.62 2.87 0.20 5.36 0.01 -0.77 -5.02 113.70 109.74 3kl2 s SER 56 Ca 0.01 -0.52 -0.31 0.00 1.31 0.00 0.00 55.95 56.44 3kl2 s SER 56 Cb 0.10 -0.28 -0.15 0.00 0.21 0.00 0.00 66.02 65.90 3kl2 s SER 56 CO 0.81 0.25 1.13 0.47 0.41 0.00 0.00 173.24 176.30 3kl2 n ASP 57 N 2.04 1.36 0.00 2.44 8.00 -1.26 -0.59 116.55 128.53 3kl2 n ASP 57 Ca -0.17 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.49 3kl2 n ASP 57 Cb 0.52 -1.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 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 1.84 2.99 3.63 0.44 0.00 -1.26 -5.06 105.19 107.77 3kl2 n GLY 58 Ca 0.14 -0.55 -0.46 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 0.44 0.22 -0.02 0.00 0.24 -4.87 105.19 101.20 3kl2 n GLY 59 Ca 0.00 0.51 0.07 0.00 0.00 0.00 0.00 46.02 46.59 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 2.86 0.99 -0.28 1.61 2.07 -1.84 -2.74 116.25 118.92 3kl2 h VAL 60 Ca -0.44 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.26 3kl2 h VAL 60 Cb 1.31 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 3kl2 h VAL 60 CO 0.73 0.22 0.00 0.18 0.02 0.00 0.00 177.57 178.72 3kl2 n LEU 61 N -4.03 2.86 -0.12 2.57 4.77 -0.46 -4.64 117.00 117.95 3kl2 n LEU 61 Ca -0.02 -2.11 -0.11 0.00 -0.03 0.00 0.00 56.01 53.74 3kl2 n LEU 61 Cb 0.30 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 3kl2 n LEU 61 CO 0.35 0.69 0.72 -0.74 -1.33 0.00 0.00 177.39 177.08 3kl2 h HIS 62 N 1.66 0.79 -0.52 -1.77 2.76 -1.03 -3.11 115.15 113.94 3kl2 h HIS 62 Ca 0.00 -0.17 0.10 0.00 -2.20 0.00 0.00 60.37 58.10 3kl2 h HIS 62 Cb 0.76 -0.19 -0.08 0.00 1.55 0.00 0.00 27.41 29.45 3kl2 h HIS 62 CO 0.22 0.85 0.04 0.78 -1.30 0.00 0.00 177.93 178.51 3kl2 h GLY 63 N 0.50 0.57 1.98 5.26 0.00 -1.82 -1.11 103.07 108.45 3kl2 h GLY 63 Ca 0.09 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 3kl2 h GLY 63 CO 0.03 -0.12 -0.13 0.00 0.00 0.00 0.00 176.54 176.32 3kl2 h ALA 64 N 1.44 1.76 -0.26 3.60 0.00 -1.87 -3.19 119.26 120.75 3kl2 h ALA 64 Ca 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kl2 h ALA 64 Cb 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kl2 h ALA 64 CO -0.40 0.18 0.00 1.33 0.00 0.00 0.00 179.25 180.36 3kl2 n VAL 65 N -4.37 0.52 -0.06 0.00 0.24 -0.78 -4.30 118.33 109.58 3kl2 n VAL 65 Ca -0.02 -0.76 -0.06 0.00 -2.04 0.00 0.00 64.34 61.46 3kl2 n VAL 65 Cb 0.21 0.89 0.14 0.00 -1.47 0.00 0.00 33.84 33.60 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 2.92 0.99 -0.27 2.33 0.00 -1.21 -2.30 119.26 121.71 3kl2 h ALA 66 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3kl2 h ALA 66 Cb 0.74 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3kl2 h ALA 66 CO 0.00 0.60 0.18 0.22 0.00 0.00 0.00 179.25 180.24 3kl2 h ASP 67 N 0.62 0.31 0.01 0.00 3.58 -1.82 -1.63 116.42 117.50 3kl2 h ASP 67 Ca 0.10 -0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.40 3kl2 h ASP 67 Cb 0.65 -0.08 0.01 0.00 1.72 0.00 0.00 39.33 41.63 3kl2 h ASP 67 CO 0.05 0.23 -0.52 0.58 -2.88 0.00 0.00 179.24 176.69 3kl2 h VAL 68 N 0.36 1.47 -0.78 2.25 2.07 -1.77 0.49 116.25 120.34 3kl2 h VAL 68 Ca 0.10 -2.10 0.14 0.00 0.82 0.00 0.00 66.70 65.66 3kl2 h VAL 68 Cb -0.04 2.72 -0.14 0.00 -1.52 0.00 0.00 31.29 32.31 3kl2 h VAL 68 CO -0.02 0.60 -0.30 0.24 0.02 0.00 0.00 177.57 178.11 3kl2 h MET 69 N -0.25 -0.06 -0.41 1.57 2.86 -1.42 0.16 114.93 117.38 3kl2 h MET 69 Ca -0.07 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.43 3kl2 h MET 69 Cb 1.27 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 3kl2 h MET 69 CO 0.10 -0.04 -0.29 0.37 1.06 0.00 0.00 176.91 178.11 3kl2 h GLN 70 N -0.06 0.92 -0.02 1.72 -0.00 -1.16 0.12 115.11 116.63 3kl2 h GLN 70 Ca 0.33 -0.44 -0.12 0.00 -0.00 0.00 0.00 58.65 58.41 3kl2 h GLN 70 Cb 0.58 -0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.04 3kl2 h GLN 70 CO -0.82 1.10 -0.57 1.25 0.00 0.00 0.00 178.83 179.79 3kl2 h HIS 71 N 0.74 0.09 0.00 3.99 2.76 -0.17 -3.25 115.15 119.31 3kl2 h HIS 71 Ca 0.08 -0.03 -0.20 0.00 -2.20 0.00 0.00 60.37 58.02 3kl2 h HIS 71 Cb 0.88 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.79 3kl2 h HIS 71 CO 0.06 0.62 -1.29 1.79 -1.30 0.00 0.00 177.93 177.81 3kl2 h THR 72 N 0.05 0.82 -2.21 6.26 1.35 -0.60 -3.48 112.91 115.11 3kl2 h THR 72 Ca -0.00 -2.43 -0.31 0.00 -0.55 0.00 0.00 66.41 63.12 3kl2 h THR 72 Cb 1.02 2.32 -0.02 0.00 -1.73 0.00 0.00 68.15 69.74 3kl2 h THR 72 CO 0.08 0.47 -0.40 0.61 -0.25 0.00 0.00 175.52 176.03 3kl2 n GLY 73 N 1.40 -0.26 0.36 5.82 0.00 0.42 -4.92 105.19 108.02 3kl2 n GLY 73 Ca -0.08 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 0.59 -0.26 1.61 -0.00 -1.67 -1.93 114.93 113.27 3kl2 h MET 74 Ca -0.37 -0.04 -0.06 0.00 -0.00 0.00 0.00 59.70 59.24 3kl2 h MET 74 Cb 1.27 -0.13 -0.01 0.00 -0.00 0.00 0.00 31.60 32.73 3kl2 h MET 74 CO 0.44 0.39 -0.07 1.25 -0.00 0.00 0.00 176.91 178.91 3kl2 h LEU 75 N 0.60 0.52 -0.20 -0.10 5.85 -1.87 -0.79 115.31 119.32 3kl2 h LEU 75 Ca 0.33 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 3kl2 h LEU 75 Cb 0.48 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3kl2 h LEU 75 CO -0.11 0.77 -0.04 0.00 -0.34 0.00 0.00 178.44 178.72 3kl2 h ALA 76 N 0.76 0.28 -0.56 1.25 0.00 -1.86 -0.06 119.26 119.07 3kl2 h ALA 76 Ca 0.07 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3kl2 h ALA 76 Cb 0.55 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3kl2 h ALA 76 CO 0.03 0.05 0.37 -0.91 0.00 0.00 0.00 179.25 178.78 3kl2 h ASN 77 N 0.11 0.52 -0.19 0.00 2.35 -1.39 -1.88 115.58 115.10 3kl2 h ASN 77 Ca 0.05 -0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.62 3kl2 h ASN 77 Cb 0.48 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 3kl2 h ASN 77 CO 0.02 0.35 -0.57 0.74 -1.65 0.00 0.00 177.43 176.32 3kl2 h THR 78 N 0.60 1.29 -0.56 2.81 2.02 -0.70 -2.04 112.91 116.32 3kl2 h THR 78 Ca 0.23 -1.77 -0.03 0.00 0.77 0.00 0.00 66.41 65.61 3kl2 h THR 78 Cb 0.16 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 3kl2 h THR 78 CO -0.06 0.57 0.23 0.58 0.37 0.00 0.00 175.52 177.21 3kl2 h VAL 79 N 0.60 1.22 -0.59 3.16 2.07 -0.46 0.46 116.25 122.71 3kl2 h VAL 79 Ca 0.01 -0.68 0.06 0.00 0.82 0.00 0.00 66.70 66.91 3kl2 h VAL 79 Cb 1.17 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 3kl2 h VAL 79 CO 0.12 0.26 0.30 0.00 0.02 0.00 0.00 177.57 178.28 3kl2 h ALA 80 N 1.08 0.78 -0.56 1.67 0.00 -1.28 0.33 119.26 121.27 3kl2 h ALA 80 Ca 0.19 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3kl2 h ALA 80 Cb 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3kl2 h ALA 80 CO -0.02 -0.05 0.12 0.28 0.00 0.00 0.00 179.25 179.59 3kl2 h VAL 81 N 0.57 1.25 -0.62 0.00 2.07 -0.80 -2.08 116.25 116.64 3kl2 h VAL 81 Ca 0.27 -0.91 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 3kl2 h VAL 81 Cb 0.20 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3kl2 h VAL 81 CO -0.19 0.33 0.01 0.58 0.02 0.00 0.00 177.57 178.33 3kl2 h VAL 82 N 0.80 1.27 0.34 2.57 2.07 -0.47 -0.07 116.25 122.75 3kl2 h VAL 82 Ca 0.17 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 3kl2 h VAL 82 Cb 0.37 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3kl2 h VAL 82 CO 0.00 0.42 -0.16 0.44 0.02 0.00 0.00 177.57 178.29 3kl2 h ASP 83 N 0.99 -0.39 -0.75 0.57 3.32 -0.74 0.59 116.42 120.01 3kl2 h ASP 83 Ca 0.18 -0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.31 3kl2 h ASP 83 Cb 0.55 0.10 -0.08 0.00 0.22 0.00 0.00 39.33 40.12 3kl2 h ASP 83 CO 0.03 -0.24 0.38 0.00 -1.72 0.00 0.00 179.24 177.69 3kl2 h ALA 84 N 0.15 1.06 0.02 3.45 0.00 -1.32 -1.01 119.26 121.62 3kl2 h ALA 84 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kl2 h ALA 84 Cb 0.38 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3kl2 h ALA 84 CO 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 179.25 179.27 3kl2 h ALA 85 N 1.46 -0.04 -0.68 0.00 0.00 -0.47 -2.11 119.26 117.41 3kl2 h ALA 85 Ca 0.38 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.31 3kl2 h ALA 85 Cb 0.42 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3kl2 h ALA 85 CO -0.28 -0.53 0.42 0.00 0.00 0.00 0.00 179.25 178.86 3kl2 h ARG 86 N -0.05 0.80 -0.07 0.00 3.08 -0.48 -1.76 114.38 115.90 3kl2 h ARG 86 Ca 0.00 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.02 3kl2 h ARG 86 Cb 0.05 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 3kl2 h ARG 86 CO -0.01 0.53 0.06 1.96 -1.07 0.00 0.00 179.97 181.44 3kl2 h GLN 87 N 0.82 0.00 -0.03 0.04 1.08 -0.92 -2.48 115.11 113.62 3kl2 h GLN 87 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 3kl2 h GLN 87 Cb 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 3kl2 h GLN 87 CO -0.11 0.00 -0.01 0.00 -0.95 0.00 0.00 178.83 177.76 3kl2 n ALA 88 N -2.43 2.52 -0.96 3.87 0.00 -0.72 -4.96 120.51 117.84 3kl2 n ALA 88 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.81 3kl2 n ALA 88 Cb 0.16 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3kl2 n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kl2 n GLY 89 N 1.30 0.53 3.71 0.00 0.00 -0.88 -4.87 105.19 104.98 3kl2 n GLY 89 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.02 4.88 0.42 1.61 1.01 -0.88 -4.87 120.40 120.54 3kl2 s VAL 90 Ca 0.00 2.02 -0.26 0.00 0.00 0.00 0.00 61.98 63.75 3kl2 s VAL 90 Cb 0.00 -4.30 -0.09 0.00 0.00 0.00 0.00 36.38 31.99 3kl2 s VAL 90 CO 0.00 0.16 1.33 -2.16 0.00 0.00 0.00 175.10 174.43 3kl2 s PRO 91 N 1.04 3.90 -0.20 2.72 0.04 -1.26 -4.38 135.00 136.86 3kl2 s PRO 91 Ca 0.51 2.22 -0.08 0.00 0.04 0.00 0.00 61.00 63.68 3kl2 s PRO 91 Cb -0.21 -2.73 -0.04 0.00 0.04 0.00 0.00 34.50 31.56 3kl2 s PRO 91 CO 0.27 -0.57 0.09 0.42 0.04 0.00 0.00 177.00 177.25 3kl2 s ILE 92 N -1.25 5.00 -0.15 0.56 -1.09 -1.26 -2.06 121.20 120.96 3kl2 s ILE 92 Ca 0.58 0.05 0.01 0.00 -2.23 0.00 0.00 60.65 59.05 3kl2 s ILE 92 Cb -0.39 -3.27 0.02 0.00 -1.58 0.00 0.00 42.46 37.23 3kl2 s ILE 92 CO 0.51 0.44 -0.15 -0.04 -1.23 0.00 0.00 174.94 174.46 3kl2 s MET 93 N 0.48 2.38 -0.08 2.79 -1.94 -0.11 -1.57 119.30 121.25 3kl2 s MET 93 Ca 0.05 -0.60 -0.16 0.00 -1.71 0.00 0.00 55.69 53.28 3kl2 s MET 93 Cb -0.12 -2.13 -0.05 0.00 2.01 0.00 0.00 34.83 34.54 3kl2 s MET 93 CO 0.00 -0.20 0.41 -1.01 -0.01 0.00 0.00 175.02 174.21 3kl2 s HIS 94 N 1.37 3.59 -0.52 -0.03 3.76 0.45 -0.85 115.29 123.07 3kl2 s HIS 94 Ca 0.03 0.88 0.03 0.00 -0.15 0.00 0.00 55.06 55.85 3kl2 s HIS 94 Cb -0.13 -2.40 0.15 0.00 1.11 0.00 0.00 32.58 31.31 3kl2 s HIS 94 CO -0.09 0.38 0.32 0.00 -0.85 0.00 0.00 174.74 174.50 3kl2 s ALA 95 N -0.13 2.66 0.26 -1.40 0.00 -0.24 0.53 121.76 123.44 3kl2 s ALA 95 Ca 0.23 -3.00 -0.10 0.00 0.00 0.00 0.00 51.96 49.09 3kl2 s ALA 95 Cb -0.15 -1.96 -0.07 0.00 0.00 0.00 0.00 23.12 20.93 3kl2 s ALA 95 CO 0.10 -2.05 0.58 -1.25 0.00 0.00 0.00 175.76 173.14 3kl2 s PRO 96 N -0.25 3.80 -0.16 0.00 0.04 -1.26 -0.72 135.00 136.45 3kl2 s PRO 96 Ca 0.21 0.30 -0.07 0.00 0.04 0.00 0.00 61.00 61.48 3kl2 s PRO 96 Cb -0.16 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 3kl2 s PRO 96 CO -0.07 0.26 0.07 -1.50 0.04 0.00 0.00 177.00 175.80 3kl2 s ILE 97 N -1.91 4.85 0.04 0.56 2.07 -1.26 -4.34 121.20 121.21 3kl2 s ILE 97 Ca 0.48 -0.02 -0.06 0.00 -1.41 0.00 0.00 60.65 59.64 3kl2 s ILE 97 Cb -0.11 -3.15 -0.01 0.00 0.13 0.00 0.00 42.46 39.32 3kl2 s ILE 97 CO 0.22 0.51 0.10 0.42 -1.91 0.00 0.00 174.94 174.29 3kl2 s THR 98 N -0.05 0.13 -0.03 4.00 -4.23 -1.14 -4.84 115.64 109.49 3kl2 s THR 98 Ca 0.07 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 3kl2 s THR 98 Cb -0.12 -0.89 0.03 0.00 1.34 0.00 0.00 72.50 72.86 3kl2 s THR 98 CO 0.01 -0.59 0.01 -0.36 -0.54 0.00 0.00 174.62 173.15 3kl2 s PHE 99 N -2.58 0.21 0.33 3.99 0.08 -0.49 -4.67 117.98 114.84 3kl2 s PHE 99 Ca -0.05 0.04 -0.27 0.00 0.12 0.00 0.00 56.93 56.77 3kl2 s PHE 99 Cb -0.01 -0.34 -0.13 0.00 -0.57 0.00 0.00 43.02 41.97 3kl2 s PHE 99 CO -0.04 -0.11 1.11 0.00 -0.10 0.00 0.00 175.22 176.08 3kl2 n ALA 100 N 4.11 0.40 -1.72 5.36 0.00 -1.26 0.14 120.51 127.54 3kl2 n ALA 100 Ca -0.27 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.10 3kl2 n ALA 100 Cb 0.50 -2.12 -0.02 0.00 0.00 0.00 0.00 19.45 17.82 3kl2 n ALA 100 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kl2 n GLU 101 N 0.57 2.40 0.00 0.00 2.13 -1.26 -2.45 120.64 122.03 3kl2 n GLU 101 Ca 0.08 0.85 0.00 0.00 0.66 0.00 0.00 57.16 58.75 3kl2 n GLU 101 Cb 0.35 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.50 3kl2 n GLU 101 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kl2 n GLY 102 N 1.69 2.73 2.27 8.31 0.00 -1.26 -4.58 105.19 114.35 3kl2 n GLY 102 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.65 -0.37 0.16 1.61 4.01 -1.03 -4.91 117.16 115.98 3kl2 n TYR 103 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 3kl2 n TYR 103 Cb 0.00 -2.53 0.30 0.00 -0.31 0.00 0.00 39.34 36.80 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 -1.19 -0.77 0.06 2.72 0.00 -1.26 -0.77 105.19 103.99 3kl2 n GLY 104 Ca -0.13 0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.85 0.38 -4.42 1.61 1.02 -1.26 -4.87 120.64 111.25 3kl2 n GLU 105 Ca 0.00 -0.13 -0.24 0.00 -0.02 0.00 0.00 57.16 56.77 3kl2 n GLU 105 Cb 0.06 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.89 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 -2.71 2.83 0.66 -4.62 1.43 0.05 -5.10 118.68 111.21 3kl2 s LEU 106 Ca 0.22 -1.00 -0.17 0.00 -1.03 0.00 0.00 54.13 52.15 3kl2 s LEU 106 Cb 0.19 -1.25 -0.05 0.00 0.03 0.00 0.00 46.19 45.11 3kl2 s LEU 106 CO 0.53 -0.10 0.64 1.07 0.23 0.00 0.00 176.35 178.72 3kl2 n THR 107 N -0.80 2.37 0.40 5.49 5.66 -1.26 -4.88 114.28 121.26 3kl2 n THR 107 Ca -0.05 -0.45 0.13 0.00 -3.05 0.00 0.00 64.05 60.64 3kl2 n THR 107 Cb 0.61 -0.82 0.44 0.00 -1.55 0.00 0.00 70.33 69.01 3kl2 n THR 107 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 3kl2 h ARG 108 N -0.03 0.00 -2.18 1.09 3.08 -1.97 -3.35 114.38 111.02 3kl2 h ARG 108 Ca -0.46 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.03 3kl2 h ARG 108 Cb 1.37 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 31.00 3kl2 h ARG 108 CO 0.46 0.00 -0.83 0.72 -1.07 0.00 0.00 179.97 179.25 3kl2 n HIS 109 N -2.62 2.61 -1.62 3.04 8.25 -1.26 -5.09 115.22 118.52 3kl2 n HIS 109 Ca 0.03 -3.94 -0.33 0.00 -0.26 0.00 0.00 57.72 53.22 3kl2 n HIS 109 Cb 0.37 -0.47 0.06 0.00 1.12 0.00 0.00 29.99 31.08 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 -2.91 2.54 0.30 -0.41 0.04 -1.26 -5.06 135.00 128.25 3kl2 s PRO 110 Ca 0.44 1.50 0.03 0.00 0.04 0.00 0.00 61.00 63.01 3kl2 s PRO 110 Cb 0.28 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.86 3kl2 s PRO 110 CO -0.11 -1.47 0.11 1.52 0.04 0.00 0.00 177.00 177.09 3kl2 s TYR 111 N -2.25 1.68 0.00 0.56 1.13 -1.26 -4.69 117.35 112.52 3kl2 s TYR 111 Ca 0.69 -1.19 0.00 0.00 -1.41 0.00 0.00 57.07 55.16 3kl2 s TYR 111 Cb -0.23 -1.01 0.00 0.00 -1.10 0.00 0.00 41.96 39.62 3kl2 s TYR 111 CO 0.43 -0.30 0.00 0.41 -2.51 0.00 0.00 175.55 173.58 3kl2 n GLY 112 N -0.60 -0.24 0.38 5.49 0.00 -1.26 -3.79 105.19 105.17 3kl2 n GLY 112 Ca -0.01 -1.05 0.15 0.00 0.00 0.00 0.00 46.02 45.12 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 0.79 0.00 -0.61 6.09 -2.02 0.66 117.51 122.42 3kl2 h ILE 113 Ca 0.00 -0.14 -0.02 0.00 -1.37 0.00 0.00 64.86 63.33 3kl2 h ILE 113 Cb 0.00 0.34 -0.00 0.00 0.47 0.00 0.00 36.82 37.63 3kl2 h ILE 113 CO 0.00 0.08 -0.11 -0.07 -3.07 0.00 0.00 178.15 174.98 3kl2 h LEU 114 N 0.41 0.00 -1.12 2.19 3.38 -1.98 -2.34 115.31 115.85 3kl2 h LEU 114 Ca 0.37 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.30 3kl2 h LEU 114 Cb 0.85 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 3kl2 h LEU 114 CO -0.12 0.11 0.15 0.50 0.09 0.00 0.00 178.44 179.17 3kl2 h LYS 115 N 0.00 0.77 -0.21 1.13 3.64 -0.95 -1.95 116.57 119.00 3kl2 h LYS 115 Ca -0.00 -0.14 -0.12 0.00 -1.27 0.00 0.00 60.65 59.12 3kl2 h LYS 115 Cb 0.44 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3kl2 h LYS 115 CO 0.01 0.68 -0.37 0.78 -2.27 0.00 0.00 179.45 178.29 3kl2 h GLY 116 N 0.93 0.50 0.73 5.01 0.00 -1.54 0.61 103.07 109.30 3kl2 h GLY 116 Ca 0.17 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 3kl2 h GLY 116 CO -0.01 0.42 -0.23 -2.08 0.00 0.00 0.00 176.54 174.64 3kl2 h VAL 117 N 0.39 0.41 0.12 4.60 2.07 -1.43 -0.06 116.25 122.35 3kl2 h VAL 117 Ca 0.04 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.17 3kl2 h VAL 117 Cb 0.82 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 3kl2 h VAL 117 CO 0.07 0.06 -0.31 0.58 0.02 0.00 0.00 177.57 177.99 3kl2 h VAL 118 N -0.93 0.34 -0.47 2.57 2.07 -1.35 -1.43 116.25 117.05 3kl2 h VAL 118 Ca -0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.49 3kl2 h VAL 118 Cb 0.60 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3kl2 h VAL 118 CO 0.11 0.00 0.25 0.44 0.02 0.00 0.00 177.57 178.39 3kl2 h ASP 119 N -0.53 0.38 0.55 0.57 3.32 -0.92 -1.78 116.42 118.02 3kl2 h ASP 119 Ca 0.03 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3kl2 h ASP 119 Cb 0.56 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3kl2 h ASP 119 CO -0.18 0.27 0.00 0.61 -1.72 0.00 0.00 179.24 178.22 3kl2 n GLY 120 N -1.24 -1.10 3.55 2.75 0.00 -0.04 -4.92 105.19 104.19 3kl2 n GLY 120 Ca 0.03 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.39 -5.71 -3.85 1.61 5.02 -0.63 -5.00 118.16 108.22 3kl2 n LYS 121 Ca 0.08 0.74 -0.27 0.00 -2.02 0.00 0.00 58.31 56.84 3kl2 n LYS 121 Cb 0.21 -5.54 -0.03 0.00 -0.02 0.00 0.00 35.03 29.64 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 -3.50 3.92 -1.43 7.82 0.00 -0.68 -4.48 121.76 123.41 3kl2 s ALA 122 Ca 0.01 -0.94 -0.08 0.00 0.00 0.00 0.00 51.96 50.96 3kl2 s ALA 122 Cb -0.00 -1.87 0.04 0.00 0.00 0.00 0.00 23.12 21.29 3kl2 s ALA 122 CO 0.77 0.52 0.62 1.19 0.00 0.00 0.00 175.76 178.86 3kl2 n PHE 123 N -0.53 -1.97 -2.02 0.00 3.01 -1.26 -4.83 117.46 109.86 3kl2 n PHE 123 Ca -0.06 0.56 -0.42 0.00 1.01 0.00 0.00 57.45 58.54 3kl2 n PHE 123 Cb 0.54 -3.80 -0.03 0.00 -0.01 0.00 0.00 39.48 36.18 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 -3.09 2.90 0.23 -4.37 1.01 -1.26 -1.40 120.40 114.42 3kl2 s VAL 124 Ca 0.39 0.64 -0.32 0.00 0.00 0.00 0.00 61.98 62.69 3kl2 s VAL 124 Cb -0.19 -3.41 -0.13 0.00 0.00 0.00 0.00 36.38 32.65 3kl2 s VAL 124 CO 0.49 0.05 1.55 1.17 0.00 0.00 0.00 175.10 178.35 3kl2 n LYS 125 N 4.04 2.35 0.00 2.72 4.81 0.12 -2.20 118.16 130.00 3kl2 n LYS 125 Ca 0.13 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.41 3kl2 n LYS 125 Cb 0.40 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 32.86 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 2.74 1.91 3.89 3.14 0.00 -1.26 -4.79 105.19 110.81 3kl2 n GLY 126 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.48 2.12 0.17 2.61 -4.23 -0.93 -4.98 115.64 107.91 3kl2 s THR 127 Ca 0.00 0.04 -0.09 0.00 -1.18 0.00 0.00 61.69 60.46 3kl2 s THR 127 Cb 0.00 -3.01 0.02 0.00 1.34 0.00 0.00 72.50 70.85 3kl2 s THR 127 CO 0.00 -0.05 1.57 -0.25 -0.54 0.00 0.00 174.62 175.35 3kl2 h TRP 128 N -1.08 1.14 -0.76 3.99 7.01 -1.96 -2.89 115.95 121.40 3kl2 h TRP 128 Ca -0.46 -0.26 0.14 0.00 2.11 0.00 0.00 58.89 60.42 3kl2 h TRP 128 Cb 1.32 -0.27 -0.10 0.00 -2.10 0.00 0.00 29.16 28.02 3kl2 h TRP 128 CO 0.32 1.08 0.31 0.78 -2.79 0.00 0.00 178.44 178.15 3kl2 h GLY 129 N 0.90 1.17 2.00 2.65 0.00 -1.92 -2.18 103.07 105.69 3kl2 h GLY 129 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3kl2 h GLY 129 CO 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 176.54 176.50 3kl2 n ALA 130 N -2.51 1.87 -1.80 3.60 0.00 -1.10 -1.11 120.51 119.46 3kl2 n ALA 130 Ca 0.15 -0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.22 3kl2 n ALA 130 Cb 0.42 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 3kl2 n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kl2 s ALA 131 N -3.09 3.07 0.18 0.00 0.00 -0.82 -4.86 121.76 116.25 3kl2 s ALA 131 Ca 0.08 0.50 -0.31 0.00 0.00 0.00 0.00 51.96 52.23 3kl2 s ALA 131 Cb 0.12 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 19.96 3kl2 s ALA 131 CO 0.39 0.04 1.40 0.42 0.00 0.00 0.00 175.76 178.01 3kl2 s ILE 132 N -1.94 3.02 0.43 0.00 1.01 -1.26 -1.72 121.20 120.74 3kl2 s ILE 132 Ca 0.59 0.79 -0.24 0.00 0.00 0.00 0.00 60.65 61.79 3kl2 s ILE 132 Cb -0.14 -3.51 -0.10 0.00 0.01 0.00 0.00 42.46 38.72 3kl2 s ILE 132 CO 0.18 0.10 1.10 0.55 0.00 0.00 0.00 174.94 176.88 3kl2 n VAL 133 N 3.10 2.61 -0.26 2.92 3.14 -0.24 -4.71 118.33 124.89 3kl2 n VAL 133 Ca 0.09 -0.50 0.06 0.00 -2.96 0.00 0.00 64.34 61.03 3kl2 n VAL 133 Cb 0.41 -1.30 0.18 0.00 -1.06 0.00 0.00 33.84 32.07 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 1.65 -0.18 -0.78 6.55 3.32 -1.92 -1.52 116.42 123.53 3kl2 h ASP 134 Ca -0.46 0.18 0.12 0.00 0.02 0.00 0.00 57.03 56.89 3kl2 h ASP 134 Cb 1.32 0.28 -0.05 0.00 0.22 0.00 0.00 39.33 41.10 3kl2 h ASP 134 CO 0.57 -0.13 0.51 -0.33 -1.72 0.00 0.00 179.24 178.15 3kl2 h GLU 135 N 0.17 0.58 -0.21 3.56 3.07 -1.99 -2.17 114.58 117.59 3kl2 h GLU 135 Ca 0.43 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.19 3kl2 h GLU 135 Cb 0.76 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.50 3kl2 h GLU 135 CO -0.61 0.39 -0.07 1.28 -1.40 0.00 0.00 179.01 178.60 3kl2 n LEU 136 N -4.51 3.52 -4.60 1.33 4.77 -0.61 -5.02 117.00 111.89 3kl2 n LEU 136 Ca 0.14 -3.35 -0.47 0.00 -0.03 0.00 0.00 56.01 52.30 3kl2 n LEU 136 Cb 0.41 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 3kl2 n LEU 136 CO 0.32 0.93 0.72 0.00 -1.33 0.00 0.00 177.39 178.03 3kl2 n ALA 137 N -0.96 -0.23 -1.77 -1.18 0.00 -0.82 -4.87 120.51 110.68 3kl2 n ALA 137 Ca 0.24 0.43 -0.41 0.00 0.00 0.00 0.00 53.44 53.70 3kl2 n ALA 137 Cb 0.87 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 3kl2 n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kl2 s PRO 138 N -0.81 4.44 0.19 0.00 0.02 -1.26 -5.04 135.00 132.55 3kl2 s PRO 138 Ca 0.67 2.09 0.09 0.00 0.02 0.00 0.00 61.00 63.87 3kl2 s PRO 138 Cb -0.76 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 30.61 3kl2 s PRO 138 CO 0.55 -0.07 -0.18 0.14 -0.33 0.00 0.00 177.00 177.10 3kl2 s VAL 139 N -1.10 1.94 0.19 3.83 -7.23 -1.26 -5.03 120.40 111.74 3kl2 s VAL 139 Ca 0.48 -2.04 -0.31 0.00 -1.81 0.00 0.00 61.98 58.30 3kl2 s VAL 139 Cb -0.37 -1.96 -0.16 0.00 0.56 0.00 0.00 36.38 34.44 3kl2 s VAL 139 CO 0.49 -0.35 0.94 0.59 -0.31 0.00 0.00 175.10 176.46 3kl2 n ASN 140 N 0.06 0.49 0.00 4.85 4.13 -1.26 -1.36 115.26 122.17 3kl2 n ASN 140 Ca -0.11 1.15 0.00 0.00 1.68 0.00 0.00 54.58 57.30 3kl2 n ASN 140 Cb 0.58 -1.13 0.00 0.00 -1.54 0.00 0.00 39.78 37.69 3kl2 n ASN 140 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kl2 n GLY 141 N 1.76 3.06 3.35 7.41 0.00 -1.26 -5.06 105.19 114.46 3kl2 n GLY 141 Ca 0.15 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 1.36 -2.24 -4.59 1.61 9.92 -0.46 -4.91 116.55 117.24 3kl2 n ASP 142 Ca 0.00 0.83 -0.34 0.00 -0.53 0.00 0.00 54.79 54.75 3kl2 n ASP 142 Cb 0.00 -0.96 -0.11 0.00 -0.64 0.00 0.00 41.12 39.41 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 -1.63 4.01 -0.33 0.53 1.01 -0.61 -4.94 121.20 119.25 3kl2 s ILE 143 Ca 0.61 -0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.86 3kl2 s ILE 143 Cb -0.62 -2.71 0.04 0.00 0.01 0.00 0.00 42.46 39.18 3kl2 s ILE 143 CO 0.61 0.56 0.09 -0.69 0.00 0.00 0.00 174.94 175.51 3kl2 s VAL 144 N -0.35 3.71 0.49 2.92 1.01 -1.26 -0.42 120.40 126.49 3kl2 s VAL 144 Ca 0.06 -1.11 -0.23 0.00 0.00 0.00 0.00 61.98 60.71 3kl2 s VAL 144 Cb -0.12 -3.08 -0.07 0.00 0.00 0.00 0.00 36.38 33.11 3kl2 s VAL 144 CO 0.02 -0.14 1.24 -0.63 0.00 0.00 0.00 175.10 175.59 3kl2 s ILE 145 N 1.40 2.73 0.06 2.22 -1.09 0.19 -4.94 121.20 121.75 3kl2 s ILE 145 Ca -0.02 0.55 0.08 0.00 -2.23 0.00 0.00 60.65 59.04 3kl2 s ILE 145 Cb -0.19 -3.28 -0.03 0.00 -1.58 0.00 0.00 42.46 37.38 3kl2 s ILE 145 CO 0.02 -0.00 -0.23 -1.61 -1.23 0.00 0.00 174.94 171.89 3kl2 s GLU 146 N -2.75 1.49 0.00 2.79 2.02 -1.26 -4.49 118.70 116.49 3kl2 s GLU 146 Ca 0.66 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 54.60 3kl2 s GLU 146 Cb -0.33 -1.67 0.00 0.00 0.10 0.00 0.00 34.13 32.23 3kl2 s GLU 146 CO 0.40 0.42 0.00 0.41 0.02 0.00 0.00 175.26 176.51 3kl2 n GLY 147 N 1.68 2.33 3.62 -1.39 0.00 -1.26 -2.59 105.19 107.57 3kl2 n GLY 147 Ca -0.17 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.03 1.75 0.00 1.61 4.81 -1.14 -4.64 118.16 119.52 3kl2 n LYS 148 Ca 0.00 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 3kl2 n LYS 148 Cb 0.00 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 32.47 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 7.08 2.35 0.00 1.64 5.12 -1.26 -2.88 116.66 128.70 3kl2 n ARG 149 Ca 0.28 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.20 3kl2 n ARG 149 Cb 0.27 -0.97 0.00 0.00 -1.16 0.00 0.00 32.46 30.60 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 2.65 2.05 0.13 -0.13 0.00 -1.26 -5.00 105.19 103.64 3kl2 n GLY 150 Ca 0.00 -1.99 -0.25 0.00 0.00 0.00 0.00 46.02 43.78 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 2.23 -4.68 0.99 7.99 -1.26 -4.85 117.00 117.42 3kl2 n LEU 151 Ca 0.00 0.24 -0.42 0.00 -0.01 0.00 0.00 56.01 55.81 3kl2 n LEU 151 Cb 0.00 -0.89 -0.03 0.00 -0.11 0.00 0.00 43.42 42.39 3kl2 n LEU 151 CO 0.00 0.63 1.11 -0.62 -1.51 0.00 0.00 177.39 177.00 3kl2 s ASP 152 N -7.13 6.89 0.51 -1.43 -1.08 -1.26 -4.46 116.67 108.70 3kl2 s ASP 152 Ca -0.35 1.95 0.28 0.00 -0.52 0.00 0.00 52.55 53.91 3kl2 s ASP 152 Cb 0.11 -2.55 1.34 0.00 -1.46 0.00 0.00 42.92 40.37 3kl2 s ASP 152 CO 0.56 -0.74 2.01 0.74 0.52 0.00 0.00 175.17 178.26 3kl2 h THR 153 N 5.20 0.48 0.00 1.71 2.02 -1.86 -2.47 112.91 117.99 3kl2 h THR 153 Ca -0.34 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.16 3kl2 h THR 153 Cb 1.15 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 3kl2 h THR 153 CO 0.93 0.13 -0.24 -0.26 0.37 0.00 0.00 175.52 176.45 3kl2 h PHE 154 N 0.00 0.00 0.00 3.16 0.04 -1.90 -3.33 116.94 114.91 3kl2 h PHE 154 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 3kl2 h PHE 154 Cb 0.46 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.60 3kl2 h PHE 154 CO 0.00 0.00 -0.51 0.00 -0.60 0.00 0.00 178.31 177.20 3kl2 h ALA 155 N 2.28 0.76 -0.12 2.45 0.00 -1.84 -3.38 119.26 119.40 3kl2 h ALA 155 Ca 0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 3kl2 h ALA 155 Cb 0.86 0.01 -0.36 0.00 0.00 0.00 0.00 17.79 18.30 3kl2 h ALA 155 CO 0.00 0.14 -0.97 -1.13 0.00 0.00 0.00 179.25 177.29 3kl2 n SER 156 N -2.95 0.89 -3.89 0.00 3.41 -1.26 -5.04 113.62 104.78 3kl2 n SER 156 Ca 0.01 -2.01 -0.15 0.00 -0.26 0.00 0.00 58.87 56.46 3kl2 n SER 156 Cb 0.58 -0.26 -0.09 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.06 0.02 -1.19 6.66 -4.23 -1.25 -2.89 115.64 111.70 3kl2 s THR 157 Ca 0.28 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.85 3kl2 s THR 157 Cb 0.34 -2.50 0.28 0.00 1.34 0.00 0.00 72.50 71.95 3kl2 s THR 157 CO -0.12 0.00 1.04 -0.46 -0.54 0.00 0.00 174.62 174.55 3kl2 n ASN 158 N -0.76 2.25 -0.11 3.99 0.23 -1.07 -4.55 115.26 115.25 3kl2 n ASN 158 Ca 0.04 -2.21 -0.08 0.00 -0.53 0.00 0.00 54.58 51.80 3kl2 n ASN 158 Cb 0.65 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 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 1.50 0.35 0.11 -4.53 5.85 -1.86 -1.92 115.31 114.80 3kl2 h LEU 159 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3kl2 h LEU 159 Cb 0.79 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.75 3kl2 h LEU 159 CO 0.11 0.25 -0.05 -0.78 -0.34 0.00 0.00 178.44 177.63 3kl2 h ASP 160 N 0.43 -0.12 -0.91 1.25 3.58 -1.89 0.31 116.42 119.07 3kl2 h ASP 160 Ca 0.14 -0.11 0.13 0.00 0.42 0.00 0.00 57.03 57.61 3kl2 h ASP 160 Cb 0.00 0.03 -0.09 0.00 1.72 0.00 0.00 39.33 41.00 3kl2 h ASP 160 CO -0.07 0.04 0.53 0.15 -2.88 0.00 0.00 179.24 177.01 3kl2 h PHE 161 N -0.28 0.95 0.06 0.28 3.57 -1.85 -0.50 116.94 119.16 3kl2 h PHE 161 Ca -0.02 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.36 3kl2 h PHE 161 Cb 0.23 -0.29 0.02 0.00 2.79 0.00 0.00 35.95 38.70 3kl2 h PHE 161 CO -0.03 0.32 -0.64 0.82 -2.23 0.00 0.00 178.31 176.55 3kl2 h ILE 162 N 0.80 1.48 -0.55 1.41 2.04 -0.96 0.31 117.51 122.05 3kl2 h ILE 162 Ca 0.47 -2.26 0.05 0.00 1.00 0.00 0.00 64.86 64.13 3kl2 h ILE 162 Cb 0.55 2.88 -0.05 0.00 -0.74 0.00 0.00 36.82 39.46 3kl2 h ILE 162 CO -0.30 0.64 0.27 -0.07 0.00 0.00 0.00 178.15 178.69 3kl2 h LEU 163 N -0.27 0.37 -0.16 1.44 3.38 -0.68 -0.30 115.31 119.10 3kl2 h LEU 163 Ca -0.10 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 3kl2 h LEU 163 Cb 1.41 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 42.14 3kl2 h LEU 163 CO 0.12 0.25 -0.58 0.03 0.09 0.00 0.00 178.44 178.35 3kl2 h ARG 164 N 0.51 0.67 -0.61 1.13 2.47 -1.09 -0.04 114.38 117.43 3kl2 h ARG 164 Ca 0.25 -0.51 -0.05 0.00 -1.26 0.00 0.00 59.98 58.41 3kl2 h ARG 164 Cb 0.18 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.57 3kl2 h ARG 164 CO -0.19 1.13 0.19 1.03 0.56 0.00 0.00 179.97 182.70 3kl2 h SER 165 N 0.35 0.84 -0.01 7.04 0.87 -0.68 -2.28 113.55 119.69 3kl2 h SER 165 Ca -0.03 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 3kl2 h SER 165 Cb 1.21 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 3kl2 h SER 165 CO 0.12 0.79 0.00 0.29 -0.53 0.00 0.00 176.83 177.50 3kl2 n LYS 166 N -4.29 1.12 -1.36 2.24 5.02 -0.14 -4.90 118.16 115.84 3kl2 n LYS 166 Ca 0.05 -0.17 -0.06 0.00 -2.02 0.00 0.00 58.31 56.11 3kl2 n LYS 166 Cb 0.20 -1.45 -0.02 0.00 -0.02 0.00 0.00 35.03 33.75 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 0.98 0.68 3.71 0.72 0.00 -0.86 -4.92 105.19 105.50 3kl2 n GLY 167 Ca 0.21 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.23 4.94 0.00 1.61 1.01 -0.07 -4.62 120.40 121.04 3kl2 s VAL 168 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 61.98 63.75 3kl2 s VAL 168 Cb 0.00 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.19 3kl2 s VAL 168 CO 0.00 0.17 0.68 -0.90 0.00 0.00 0.00 175.10 175.05 3kl2 n ASP 169 N 4.06 1.31 -3.92 3.32 5.68 -0.45 -4.56 116.55 122.00 3kl2 n ASP 169 Ca 0.03 -1.41 -0.22 0.00 -0.50 0.00 0.00 54.79 52.69 3kl2 n ASP 169 Cb 0.51 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.32 3kl2 n ASP 169 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3kl2 s THR 170 N -0.41 0.73 -0.04 2.12 2.01 -0.68 -0.66 115.64 118.71 3kl2 s THR 170 Ca 0.00 -0.21 0.04 0.00 0.31 0.00 0.00 61.69 61.82 3kl2 s THR 170 Cb 0.00 -0.73 -0.00 0.00 0.01 0.00 0.00 72.50 71.78 3kl2 s THR 170 CO 0.00 0.28 -0.14 0.27 -0.69 0.00 0.00 174.62 174.33 3kl2 s ILE 171 N 1.01 1.19 -0.20 1.82 -4.36 -0.20 -1.79 121.20 118.67 3kl2 s ILE 171 Ca -0.09 -0.59 -0.04 0.00 -0.26 0.00 0.00 60.65 59.67 3kl2 s ILE 171 Cb -0.14 -1.03 -0.02 0.00 1.25 0.00 0.00 42.46 42.52 3kl2 s ILE 171 CO -0.00 0.35 -0.03 -0.69 0.24 0.00 0.00 174.94 174.81 3kl2 s VAL 172 N 0.08 3.60 -0.12 8.37 1.01 -0.48 -0.30 120.40 132.55 3kl2 s VAL 172 Ca -0.03 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 3kl2 s VAL 172 Cb -0.10 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 3kl2 s VAL 172 CO 0.01 0.44 -0.09 -0.76 0.00 0.00 0.00 175.10 174.70 3kl2 s LEU 173 N 1.14 2.96 0.16 3.92 1.43 0.40 -0.33 118.68 128.37 3kl2 s LEU 173 Ca 0.02 -0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 52.88 3kl2 s LEU 173 Cb -0.15 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 3kl2 s LEU 173 CO 0.00 0.21 0.15 -0.83 0.23 0.00 0.00 176.35 176.11 3kl2 s GLY 174 N 0.10 0.96 0.00 -3.19 0.00 -1.11 -1.47 107.32 102.61 3kl2 s GLY 174 Ca -0.04 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.32 3kl2 s GLY 174 CO 0.04 -1.21 0.00 0.61 0.00 0.00 0.00 173.10 172.54 3kl2 n GLY 175 N -0.18 0.50 3.31 0.20 0.00 -0.11 -0.77 105.19 108.14 3kl2 n GLY 175 Ca -0.04 -1.91 -0.25 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.58 1.89 0.09 1.61 0.08 -0.85 -2.23 117.98 116.99 3kl2 s PHE 176 Ca 0.00 -0.41 -0.07 0.00 0.12 0.00 0.00 56.93 56.56 3kl2 s PHE 176 Cb 0.00 -1.03 -0.05 0.00 -0.57 0.00 0.00 43.02 41.37 3kl2 s PHE 176 CO 0.00 0.24 0.37 -0.51 -0.10 0.00 0.00 175.22 175.22 3kl2 s LEU 177 N -1.99 4.33 0.28 -0.37 1.43 -1.26 -4.03 118.68 117.06 3kl2 s LEU 177 Ca 0.09 0.68 -0.00 0.00 -1.03 0.00 0.00 54.13 53.86 3kl2 s LEU 177 Cb -0.10 -3.03 0.64 0.00 0.03 0.00 0.00 46.19 43.74 3kl2 s LEU 177 CO 0.05 0.15 1.65 0.74 0.23 0.00 0.00 176.35 179.17 3kl2 h THR 178 N 2.63 0.35 -0.02 5.49 2.02 -1.26 -1.44 112.91 120.67 3kl2 h THR 178 Ca -0.48 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.63 3kl2 h THR 178 Cb 1.18 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3kl2 h THR 178 CO 0.68 0.04 -0.01 -0.46 0.37 0.00 0.00 175.52 176.14 3kl2 n ASN 179 N -5.23 2.44 0.00 4.18 6.94 -1.26 -2.55 115.26 119.77 3kl2 n ASN 179 Ca 0.19 -1.72 0.00 0.00 -0.02 0.00 0.00 54.58 53.04 3kl2 n ASN 179 Cb 0.62 0.02 0.00 0.00 -2.36 0.00 0.00 39.78 38.06 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 0.55 0.49 -0.40 0.00 2.07 -1.52 -1.85 116.25 115.60 3kl2 h VAL 182 Ca 0.07 -0.34 0.08 0.00 0.82 0.00 0.00 66.70 67.33 3kl2 h VAL 182 Cb 0.76 0.63 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 3kl2 h VAL 182 CO 0.06 0.06 -0.12 -0.33 0.02 0.00 0.00 177.57 177.26 3kl2 h GLU 183 N -0.85 -0.03 -0.49 1.57 5.08 -1.32 0.34 114.58 118.89 3kl2 h GLU 183 Ca -0.06 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3kl2 h GLU 183 Cb 0.57 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3kl2 h GLU 183 CO 0.11 -0.02 0.13 0.77 -1.00 0.00 0.00 179.01 179.00 3kl2 h SER 184 N -0.03 0.68 -0.15 1.42 0.02 -1.12 0.54 113.55 114.91 3kl2 h SER 184 Ca 0.19 -0.11 -0.21 0.00 -0.84 0.00 0.00 61.79 60.83 3kl2 h SER 184 Cb 0.32 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.69 3kl2 h SER 184 CO -0.42 0.67 -0.69 0.74 -1.14 0.00 0.00 176.83 175.98 3kl2 h THR 185 N 0.71 1.29 0.12 -2.27 2.02 -0.77 -2.40 112.91 111.60 3kl2 h THR 185 Ca 0.16 -1.90 0.01 0.00 0.77 0.00 0.00 66.41 65.45 3kl2 h THR 185 Cb 0.25 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 3kl2 h THR 185 CO -0.00 0.61 -0.16 -0.03 0.37 0.00 0.00 175.52 176.30 3kl2 h MET 186 N 0.56 -0.32 -0.40 6.66 -1.53 -0.40 -1.23 114.93 118.26 3kl2 h MET 186 Ca -0.03 0.02 0.03 0.00 -3.44 0.00 0.00 59.70 56.28 3kl2 h MET 186 Cb 1.31 0.07 -0.03 0.00 -0.55 0.00 0.00 31.60 32.40 3kl2 h MET 186 CO 0.14 -0.21 0.22 0.00 0.14 0.00 0.00 176.91 177.19 3kl2 h ARG 187 N -0.33 0.42 -0.34 0.39 3.08 -0.89 -0.90 114.38 115.80 3kl2 h ARG 187 Ca 0.02 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 3kl2 h ARG 187 Cb 0.34 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3kl2 h ARG 187 CO -0.07 0.28 -0.38 1.15 -1.07 0.00 0.00 179.97 179.88 3kl2 h THR 188 N 0.44 1.28 -0.76 2.04 2.02 -1.37 -2.15 112.91 114.41 3kl2 h THR 188 Ca 0.17 -1.55 0.05 0.00 0.77 0.00 0.00 66.41 65.84 3kl2 h THR 188 Cb 0.05 1.42 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 3kl2 h THR 188 CO -0.10 0.51 0.50 1.23 0.37 0.00 0.00 175.52 178.03 3kl2 h GLY 189 N 0.88 1.04 0.85 2.16 0.00 -0.88 -0.64 103.07 106.49 3kl2 h GLY 189 Ca 0.06 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 3kl2 h GLY 189 CO 0.09 0.28 0.01 -1.82 0.00 0.00 0.00 176.54 175.10 3kl2 h TYR 190 N 0.87 0.46 -0.55 5.60 3.20 -0.93 -0.88 116.97 124.74 3kl2 h TYR 190 Ca 0.31 -0.08 0.02 0.00 3.14 0.00 0.00 58.73 62.13 3kl2 h TYR 190 Cb 0.14 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3kl2 h TYR 190 CO -0.00 0.58 0.37 0.93 -1.64 0.00 0.00 178.16 178.39 3kl2 h GLU 191 N 0.20 0.67 -0.31 1.82 4.39 -0.71 -1.83 114.58 118.81 3kl2 h GLU 191 Ca 0.07 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3kl2 h GLU 191 Cb 0.39 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3kl2 h GLU 191 CO 0.01 0.44 0.00 0.54 -1.16 0.00 0.00 179.01 178.84 3kl2 n ARG 192 N -4.46 1.84 -0.91 2.33 1.74 -0.32 -4.94 116.66 111.94 3kl2 n ARG 192 Ca 0.06 -1.29 0.00 0.00 -0.77 0.00 0.00 57.85 55.85 3kl2 n ARG 192 Cb 0.10 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 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 1.12 0.46 3.82 -0.13 0.00 -0.69 -5.04 105.19 104.73 3kl2 n GLY 193 Ca 0.14 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 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 3.44 -0.59 1.61 0.08 -0.37 -5.00 117.98 115.15 3kl2 s PHE 194 Ca 0.00 1.47 -0.28 0.00 0.12 0.00 0.00 56.93 58.24 3kl2 s PHE 194 Cb 0.00 -2.72 0.02 0.00 -0.57 0.00 0.00 43.02 39.75 3kl2 s PHE 194 CO 0.00 0.08 1.35 0.50 -0.10 0.00 0.00 175.22 177.04 3kl2 s ARG 195 N -2.75 3.33 -0.20 0.44 3.52 0.17 -4.48 118.95 118.97 3kl2 s ARG 195 Ca 0.55 0.30 -0.18 0.00 -0.13 0.00 0.00 55.73 56.27 3kl2 s ARG 195 Cb -0.12 -4.11 -0.03 0.00 -1.56 0.00 0.00 34.95 29.13 3kl2 s ARG 195 CO 0.17 -1.92 0.48 0.08 -0.81 0.00 0.00 175.30 173.30 3kl2 s VAL 196 N 5.79 5.13 -0.14 7.11 1.01 -1.26 -1.03 120.40 137.01 3kl2 s VAL 196 Ca 0.48 0.87 -0.02 0.00 0.00 0.00 0.00 61.98 63.30 3kl2 s VAL 196 Cb -0.09 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 3kl2 s VAL 196 CO 0.23 0.19 -0.08 -0.63 0.00 0.00 0.00 175.10 174.82 3kl2 s ILE 197 N 1.58 3.55 -0.16 2.22 1.01 0.58 0.11 121.20 130.10 3kl2 s ILE 197 Ca 0.22 -0.48 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 3kl2 s ILE 197 Cb -0.15 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 3kl2 s ILE 197 CO 0.09 0.51 -0.05 0.42 0.00 0.00 0.00 174.94 175.91 3kl2 s THR 198 N 0.35 3.76 -0.67 2.92 -4.23 -0.94 -0.45 115.64 116.39 3kl2 s THR 198 Ca -0.07 -0.40 -0.25 0.00 -1.18 0.00 0.00 61.69 59.79 3kl2 s THR 198 Cb -0.15 -2.65 0.05 0.00 1.34 0.00 0.00 72.50 71.09 3kl2 s THR 198 CO 0.04 0.49 1.10 -0.76 -0.54 0.00 0.00 174.62 174.95 3kl2 s LEU 199 N 0.47 3.78 0.21 4.79 1.43 -0.54 -0.84 118.68 127.98 3kl2 s LEU 199 Ca -0.04 -0.57 0.21 0.00 -1.03 0.00 0.00 54.13 52.69 3kl2 s LEU 199 Cb -0.14 -2.61 0.91 0.00 0.03 0.00 0.00 46.19 44.37 3kl2 s LEU 199 CO 0.03 -1.57 1.63 0.35 0.23 0.00 0.00 176.35 177.02 3kl2 n THR 200 N 6.22 0.94 -0.58 5.49 -2.24 0.81 -1.67 114.28 123.25 3kl2 n THR 200 Ca 0.01 0.32 0.05 0.00 -2.27 0.00 0.00 64.05 62.16 3kl2 n THR 200 Cb 0.47 -1.24 0.07 0.00 -2.10 0.00 0.00 70.33 67.54 3kl2 n THR 200 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3kl2 n ASP 201 N -2.09 2.18 -1.58 3.42 5.75 -1.26 -4.53 116.55 118.44 3kl2 n ASP 201 Ca 0.02 -2.58 -0.11 0.00 -0.01 0.00 0.00 54.79 52.10 3kl2 n ASP 201 Cb 0.18 -0.23 0.09 0.00 -1.03 0.00 0.00 41.12 40.13 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 -3.92 0.42 0.09 0.00 -7.23 -1.24 -0.93 120.40 107.59 3kl2 s VAL 203 Ca 0.44 -1.36 -0.10 0.00 -1.81 0.00 0.00 61.98 59.16 3kl2 s VAL 203 Cb 0.39 -0.92 0.01 0.00 0.56 0.00 0.00 36.38 36.42 3kl2 s VAL 203 CO -0.01 -0.62 0.24 0.00 -0.31 0.00 0.00 175.10 174.39 3kl2 s ALA 204 N -2.33 -0.39 0.26 1.32 0.00 -0.95 -4.84 121.76 114.84 3kl2 s ALA 204 Ca -0.04 -0.48 -0.03 0.00 0.00 0.00 0.00 51.96 51.41 3kl2 s ALA 204 Cb -0.04 0.52 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 3kl2 s ALA 204 CO -0.03 -0.53 0.32 0.00 0.00 0.00 0.00 175.76 175.52 3kl2 s ALA 205 N -3.80 0.78 -1.77 0.00 0.00 -1.26 -0.97 121.76 114.75 3kl2 s ALA 205 Ca 0.04 -1.48 0.31 0.00 0.00 0.00 0.00 51.96 50.82 3kl2 s ALA 205 Cb 0.04 1.26 1.62 0.00 0.00 0.00 0.00 23.12 26.04 3kl2 s ALA 205 CO -0.11 -0.72 2.08 0.25 0.00 0.00 0.00 175.76 177.27 3kl2 n THR 206 N -0.41 0.00 -3.63 0.00 -2.24 -1.26 -4.52 114.28 102.21 3kl2 n THR 206 Ca 0.01 -0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 3kl2 n THR 206 Cb 0.63 -0.38 -0.07 0.00 -2.10 0.00 0.00 70.33 68.41 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 -2.28 -0.64 0.20 3.42 1.04 -1.26 -4.79 113.70 109.39 3kl2 s SER 207 Ca 0.38 1.11 -0.11 0.00 0.48 0.00 0.00 55.95 57.81 3kl2 s SER 207 Cb 0.21 1.10 0.19 0.00 0.10 0.00 0.00 66.02 67.62 3kl2 s SER 207 CO 0.42 -0.31 1.80 -0.61 0.98 0.00 0.00 173.24 175.51 3kl2 h GLN 208 N 4.63 0.59 0.51 4.02 5.75 -1.97 -0.42 115.11 128.22 3kl2 h GLN 208 Ca -0.28 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.16 3kl2 h GLN 208 Cb 1.16 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.57 3kl2 h GLN 208 CO 0.18 0.39 -0.34 0.93 -2.65 0.00 0.00 178.83 177.34 3kl2 h GLU 209 N 0.61 -0.79 -0.75 1.69 3.07 -1.99 0.04 114.58 116.46 3kl2 h GLU 209 Ca 0.26 0.05 0.15 0.00 -0.50 0.00 0.00 59.36 59.32 3kl2 h GLU 209 Cb 0.15 0.18 -0.10 0.00 -0.84 0.00 0.00 28.75 28.14 3kl2 h GLU 209 CO -0.17 -0.53 0.27 0.93 -1.40 0.00 0.00 179.01 178.12 3kl2 h GLU 210 N -0.82 0.39 0.90 2.33 5.08 -1.93 -0.55 114.58 119.98 3kl2 h GLU 210 Ca -0.06 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3kl2 h GLU 210 Cb 0.68 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.85 3kl2 h GLU 210 CO 0.04 0.26 -0.46 1.25 -1.00 0.00 0.00 179.01 179.10 3kl2 h HIS 211 N 0.40 -1.21 -0.21 4.33 2.76 -0.92 -2.13 115.15 118.17 3kl2 h HIS 211 Ca 0.41 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.61 3kl2 h HIS 211 Cb 0.64 0.41 -0.05 0.00 1.55 0.00 0.00 27.41 29.96 3kl2 h HIS 211 CO -0.18 -0.73 -0.12 -0.91 -1.30 0.00 0.00 177.93 174.68 3kl2 h ASN 212 N -1.25 -0.41 -0.70 3.26 2.35 -0.74 -1.57 115.58 116.53 3kl2 h ASN 212 Ca -0.12 0.09 0.06 0.00 -0.55 0.00 0.00 56.30 55.77 3kl2 h ASN 212 Cb 0.97 0.22 -0.05 0.00 0.05 0.00 0.00 38.32 39.50 3kl2 h ASN 212 CO 0.18 -0.16 0.40 0.78 -1.65 0.00 0.00 177.43 176.98 3kl2 h ASN 213 N -0.11 0.61 -0.33 5.81 2.35 -1.15 -0.99 115.58 121.76 3kl2 h ASN 213 Ca 0.12 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 3kl2 h ASN 213 Cb 0.29 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 3kl2 h ASN 213 CO -0.28 0.40 0.12 0.00 -1.65 0.00 0.00 177.43 176.02 3kl2 h ALA 214 N 1.35 0.44 -0.00 -0.83 0.00 -1.12 0.51 119.26 119.59 3kl2 h ALA 214 Ca 0.31 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3kl2 h ALA 214 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3kl2 h ALA 214 CO -0.17 0.06 -0.29 0.82 0.00 0.00 0.00 179.25 179.67 3kl2 h ILE 215 N 0.39 1.21 0.08 0.00 2.04 -0.64 -1.99 117.51 118.60 3kl2 h ILE 215 Ca 0.11 -1.00 -0.34 0.00 1.00 0.00 0.00 64.86 64.63 3kl2 h ILE 215 Cb 0.22 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 3kl2 h ILE 215 CO -0.01 0.29 -1.90 -1.20 0.00 0.00 0.00 178.15 175.33 3kl2 n SER 216 N -4.19 2.04 -0.09 1.72 7.64 -0.44 -4.11 113.62 116.20 3kl2 n SER 216 Ca -0.02 0.23 -0.23 0.00 1.01 0.00 0.00 58.87 59.87 3kl2 n SER 216 Cb 0.34 -0.84 -0.12 0.00 -1.01 0.00 0.00 64.21 62.57 3kl2 n SER 216 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3kl2 n TYR 217 N -3.73 0.93 -0.03 1.43 4.01 0.14 -4.76 117.16 115.16 3kl2 n TYR 217 Ca -0.34 0.34 -0.17 0.00 -0.16 0.00 0.00 57.90 57.57 3kl2 n TYR 217 Cb 0.95 -1.10 -0.14 0.00 -0.31 0.00 0.00 39.34 38.74 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 -4.19 1.68 -0.17 7.72 8.00 -0.83 -4.40 116.55 124.37 3kl2 n ASP 218 Ca -0.35 0.20 -0.09 0.00 0.71 0.00 0.00 54.79 55.26 3kl2 n ASP 218 Cb 0.79 -0.50 0.04 0.00 -0.02 0.00 0.00 41.12 41.43 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 0.04 1.09 0.00 1.24 0.05 -1.54 -2.19 116.94 115.63 3kl2 h PHE 219 Ca -0.42 -0.22 0.00 0.00 3.82 0.00 0.00 57.97 61.15 3kl2 h PHE 219 Cb 2.03 -0.27 0.00 0.00 2.00 0.00 0.00 35.95 39.70 3kl2 h PHE 219 CO 0.05 1.02 0.00 -1.35 -0.18 0.00 0.00 178.31 177.85 3kl2 h PRO 220 N 0.87 0.00 0.00 1.51 0.11 -1.77 -0.37 132.00 132.36 3kl2 h PRO 220 Ca 0.14 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.18 3kl2 h PRO 220 Cb 0.66 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 3kl2 h PRO 220 CO 0.05 0.00 -0.31 0.52 -0.21 0.00 0.00 178.00 178.05 3kl2 h MET 221 N 0.00 0.00 0.00 1.05 2.86 -1.60 -3.37 114.93 113.87 3kl2 h MET 221 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kl2 h MET 221 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 3kl2 h MET 221 CO 0.00 0.31 0.00 1.19 1.06 0.00 0.00 176.91 179.47 3kl2 n PHE 222 N -3.67 0.00 -3.88 -0.22 3.72 -1.00 -5.09 117.46 107.32 3kl2 n PHE 222 Ca -0.01 -0.02 -0.08 0.00 -0.05 0.00 0.00 57.45 57.29 3kl2 n PHE 222 Cb 0.42 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.94 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 -0.04 -0.18 -0.52 4.37 1.04 -0.18 -4.59 113.70 113.60 3kl2 s SER 223 Ca 0.00 -0.74 -0.19 0.00 0.48 0.00 0.00 55.95 55.50 3kl2 s SER 223 Cb 0.00 0.72 0.06 0.00 0.10 0.00 0.00 66.02 66.90 3kl2 s SER 223 CO 0.00 -1.35 0.64 -0.69 0.98 0.00 0.00 173.24 172.83 3kl2 s VAL 224 N -3.75 4.85 0.07 5.02 1.01 0.12 -4.39 120.40 123.32 3kl2 s VAL 224 Ca 0.14 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 3kl2 s VAL 224 Cb -0.05 -4.33 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 3kl2 s VAL 224 CO 0.08 -0.85 1.16 -2.84 0.00 0.00 0.00 175.10 172.65 3kl2 s PRO 225 N 2.68 4.47 0.08 2.72 0.02 -1.26 -2.21 135.00 141.50 3kl2 s PRO 225 Ca 0.15 1.72 -0.03 0.00 0.02 0.00 0.00 61.00 62.86 3kl2 s PRO 225 Cb -0.19 -3.35 -0.03 0.00 0.02 0.00 0.00 34.50 30.95 3kl2 s PRO 225 CO 0.12 -0.19 0.06 -1.64 -0.33 0.00 0.00 177.00 175.01 3kl2 s MET 226 N 0.88 0.75 0.35 5.54 -1.94 -0.02 -4.91 119.30 119.94 3kl2 s MET 226 Ca 0.57 -1.19 -0.07 0.00 -1.71 0.00 0.00 55.69 53.28 3kl2 s MET 226 Cb -0.28 0.26 -0.06 0.00 2.01 0.00 0.00 34.83 36.76 3kl2 s MET 226 CO 0.30 -0.19 0.66 0.95 -0.01 0.00 0.00 175.02 176.72 3kl2 s THR 227 N -3.93 4.91 0.30 2.05 -4.23 -1.26 -0.13 115.64 113.34 3kl2 s THR 227 Ca 0.10 0.31 0.05 0.00 -1.18 0.00 0.00 61.69 60.98 3kl2 s THR 227 Cb 0.07 -3.74 0.29 0.00 1.34 0.00 0.00 72.50 70.46 3kl2 s THR 227 CO -0.08 -0.42 1.72 0.77 -0.54 0.00 0.00 174.62 176.07 3kl2 h SER 228 N 1.46 0.48 -0.50 3.99 4.64 -1.92 -1.25 113.55 120.45 3kl2 h SER 228 Ca -0.47 0.14 0.05 0.00 -0.47 0.00 0.00 61.79 61.03 3kl2 h SER 228 Cb 1.19 0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 63.32 3kl2 h SER 228 CO 0.65 0.07 0.25 0.00 -0.87 0.00 0.00 176.83 176.92 3kl2 h ALA 229 N 1.70 0.64 -0.61 5.18 0.00 -1.95 -0.20 119.26 124.02 3kl2 h ALA 229 Ca 0.58 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.43 3kl2 h ALA 229 Cb 1.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3kl2 h ALA 229 CO -0.49 -0.11 0.05 -0.44 0.00 0.00 0.00 179.25 178.27 3kl2 h ASP 230 N 0.48 1.01 0.56 0.00 3.32 -1.64 -1.68 116.42 118.47 3kl2 h ASP 230 Ca 0.22 -0.28 -0.20 0.00 0.02 0.00 0.00 57.03 56.79 3kl2 h ASP 230 Cb 0.14 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3kl2 h ASP 230 CO -0.16 1.04 -0.88 0.58 -1.72 0.00 0.00 179.24 178.09 3kl2 h VAL 231 N 0.94 1.48 -0.19 -1.35 2.07 -0.99 -2.22 116.25 116.00 3kl2 h VAL 231 Ca 0.18 -2.60 -0.03 0.00 0.82 0.00 0.00 66.70 65.07 3kl2 h VAL 231 Cb 0.49 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 3kl2 h VAL 231 CO 0.02 0.76 -0.00 0.40 0.02 0.00 0.00 177.57 178.77 3kl2 h ILE 232 N 0.12 1.25 -0.80 4.57 2.04 -0.91 -0.50 117.51 123.28 3kl2 h ILE 232 Ca -0.05 -0.86 0.15 0.00 1.00 0.00 0.00 64.86 65.10 3kl2 h ILE 232 Cb 1.51 1.46 -0.06 0.00 -0.74 0.00 0.00 36.82 39.00 3kl2 h ILE 232 CO 0.14 0.26 0.53 0.00 0.00 0.00 0.00 178.15 179.08 3kl2 h ALA 233 N 0.78 2.07 0.00 1.87 0.00 -1.21 -1.29 119.26 121.48 3kl2 h ALA 233 Ca 0.05 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 3kl2 h ALA 233 Cb 0.39 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3kl2 h ALA 233 CO 0.01 -0.29 -0.90 0.00 0.00 0.00 0.00 179.25 178.07 3kl2 h ALA 234 N 1.63 0.62 0.00 0.00 0.00 -1.06 -3.15 119.26 117.31 3kl2 h ALA 234 Ca 0.40 -0.68 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3kl2 h ALA 234 Cb 0.86 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3kl2 h ALA 234 CO -0.14 0.84 -0.20 -0.07 0.00 0.00 0.00 179.25 179.68 3kl2 h LEU 235 N 0.00 0.00 -0.81 0.00 3.38 0.00 -3.39 115.31 114.49 3kl2 h LEU 235 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kl2 h LEU 235 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 3kl2 h LEU 235 CO 0.07 0.20 0.00 -1.84 0.09 0.00 0.00 178.44 176.96