#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 3.65 -0.26 4.31 1.43 -1.26 -5.11 118.68 121.44 3kl2 s LEU 38 Ca 0.00 0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 53.16 3kl2 s LEU 38 Cb 0.00 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 3kl2 s LEU 38 CO 0.00 0.32 0.07 -0.62 0.23 0.00 0.00 176.35 176.35 3kl2 s ASP 39 N -0.55 5.07 0.41 2.29 3.68 -1.26 -4.95 116.67 121.35 3kl2 s ASP 39 Ca 0.10 -0.36 0.29 0.00 2.13 0.00 0.00 52.55 54.71 3kl2 s ASP 39 Cb -0.12 -1.90 1.20 0.00 -1.45 0.00 0.00 42.92 40.65 3kl2 s ASP 39 CO 0.02 -0.08 1.85 -0.65 0.13 0.00 0.00 175.17 176.45 3kl2 h PRO 40 N 8.23 0.00 0.00 4.34 0.11 -1.92 -0.06 132.00 142.70 3kl2 h PRO 40 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3kl2 h PRO 40 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kl2 h PRO 40 CO 0.59 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.38 3kl2 n ALA 41 N -1.93 2.07 -1.61 -0.75 0.00 -1.26 -4.06 120.51 112.98 3kl2 n ALA 41 Ca 0.01 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.48 3kl2 n ALA 41 Cb 0.26 -1.42 0.08 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.94 0.67 -4.25 0.00 1.74 -0.06 -4.59 116.66 108.23 3kl2 n ARG 42 Ca 0.05 -1.93 -0.19 0.00 -0.77 0.00 0.00 57.85 55.01 3kl2 n ARG 42 Cb 0.33 -0.98 -0.12 0.00 -1.02 0.00 0.00 32.46 30.66 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 -1.48 1.17 -0.03 0.55 2.01 -1.06 -1.20 115.64 115.61 3kl2 s THR 43 Ca 0.19 -1.22 -0.08 0.00 0.31 0.00 0.00 61.69 60.89 3kl2 s THR 43 Cb 0.18 -1.10 0.01 0.00 0.01 0.00 0.00 72.50 71.60 3kl2 s THR 43 CO -0.00 -0.13 0.18 0.00 -0.69 0.00 0.00 174.62 173.98 3kl2 s ALA 44 N -1.11 -0.43 -0.16 7.40 0.00 -0.69 -4.10 121.76 122.67 3kl2 s ALA 44 Ca 0.00 0.15 -0.15 0.00 0.00 0.00 0.00 51.96 51.96 3kl2 s ALA 44 Cb -0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 3kl2 s ALA 44 CO 0.02 -0.17 0.35 0.42 0.00 0.00 0.00 175.76 176.38 3kl2 s ILE 45 N -0.87 5.26 -0.20 0.00 -1.09 -0.36 -1.29 121.20 122.66 3kl2 s ILE 45 Ca -0.10 0.67 0.02 0.00 -2.23 0.00 0.00 60.65 59.01 3kl2 s ILE 45 Cb -0.05 -3.69 0.03 0.00 -1.58 0.00 0.00 42.46 37.17 3kl2 s ILE 45 CO 0.01 0.35 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.22 3kl2 s VAL 46 N 0.62 2.06 -0.29 2.92 1.01 0.32 -0.45 120.40 126.60 3kl2 s VAL 46 Ca 0.19 -1.15 -0.05 0.00 0.00 0.00 0.00 61.98 60.97 3kl2 s VAL 46 Cb -0.14 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.29 3kl2 s VAL 46 CO 0.06 0.34 0.05 -0.76 0.00 0.00 0.00 175.10 174.79 3kl2 s LEU 47 N 1.24 3.72 -0.34 3.92 1.43 0.39 -2.32 118.68 126.71 3kl2 s LEU 47 Ca 0.00 -0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 52.20 3kl2 s LEU 47 Cb -0.15 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 3kl2 s LEU 47 CO -0.10 -0.18 0.23 -0.63 0.23 0.00 0.00 176.35 175.89 3kl2 s ILE 48 N 1.45 5.13 -1.44 -0.59 1.01 -0.79 -0.20 121.20 125.76 3kl2 s ILE 48 Ca 0.02 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.27 3kl2 s ILE 48 Cb -0.17 -3.66 0.05 0.00 0.01 0.00 0.00 42.46 38.68 3kl2 s ILE 48 CO 0.01 -0.04 0.81 -0.62 0.00 0.00 0.00 174.94 175.10 3kl2 n GLU 49 N 5.08 -4.97 -1.30 2.79 1.02 -0.14 -2.22 120.64 120.89 3kl2 n GLU 49 Ca -0.13 0.58 -0.37 0.00 -0.02 0.00 0.00 57.16 57.22 3kl2 n GLU 49 Cb 0.49 -5.26 -0.02 0.00 -0.02 0.00 0.00 31.44 26.63 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 -4.49 2.47 -4.20 -0.32 4.01 -1.26 -4.62 117.16 108.74 3kl2 n TYR 50 Ca -0.12 -2.85 -0.24 0.00 -0.16 0.00 0.00 57.90 54.53 3kl2 n TYR 50 Cb 0.60 -2.35 -0.07 0.00 -0.31 0.00 0.00 39.34 37.21 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 2.69 2.54 0.49 -0.72 -0.21 -1.26 -0.47 119.66 122.72 3kl2 s GLN 51 Ca 0.60 -1.16 0.18 0.00 0.02 0.00 0.00 55.36 55.00 3kl2 s GLN 51 Cb 0.16 -2.38 1.21 0.00 1.00 0.00 0.00 33.01 33.00 3kl2 s GLN 51 CO -0.05 0.42 2.04 -0.91 -2.12 0.00 0.00 175.29 174.67 3kl2 h ASN 52 N 2.17 0.14 -0.99 5.90 2.35 -0.58 -0.20 115.58 124.36 3kl2 h ASN 52 Ca -0.47 0.00 0.23 0.00 -0.55 0.00 0.00 56.30 55.51 3kl2 h ASN 52 Cb 1.22 -0.03 -0.09 0.00 0.05 0.00 0.00 38.32 39.47 3kl2 h ASN 52 CO 0.60 0.09 0.63 -0.08 -1.65 0.00 0.00 177.43 177.02 3kl2 h GLU 53 N 0.16 0.50 0.00 0.81 4.57 -1.49 -1.89 114.58 117.24 3kl2 h GLU 53 Ca 0.17 -0.03 -0.28 0.00 -1.18 0.00 0.00 59.36 58.04 3kl2 h GLU 53 Cb 0.48 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.91 3kl2 h GLU 53 CO -0.03 0.33 -1.53 1.19 -1.18 0.00 0.00 179.01 177.79 3kl2 n PHE 54 N -4.65 0.79 0.17 0.92 3.72 -0.53 -0.98 117.46 116.91 3kl2 n PHE 54 Ca 0.23 0.34 0.05 0.00 -0.05 0.00 0.00 57.45 58.03 3kl2 n PHE 54 Cb 0.73 -1.07 0.21 0.00 -0.94 0.00 0.00 39.48 38.41 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 -1.00 0.78 -4.03 4.37 1.35 -0.86 -3.35 112.91 110.18 3kl2 h THR 55 Ca -0.42 -1.76 -0.56 0.00 -0.55 0.00 0.00 66.41 63.12 3kl2 h THR 55 Cb 1.36 2.14 -0.23 0.00 -1.73 0.00 0.00 68.15 69.69 3kl2 h THR 55 CO -0.26 0.39 -0.83 -0.44 -0.25 0.00 0.00 175.52 174.13 3kl2 s SER 56 N -6.38 2.45 0.17 5.36 0.01 -0.73 -5.03 113.70 109.54 3kl2 s SER 56 Ca 0.02 -0.61 -0.33 0.00 1.31 0.00 0.00 55.95 56.34 3kl2 s SER 56 Cb 0.09 -0.16 -0.16 0.00 0.21 0.00 0.00 66.02 66.00 3kl2 s SER 56 CO 0.70 0.09 1.22 0.47 0.41 0.00 0.00 173.24 176.13 3kl2 n ASP 57 N 1.42 1.55 0.00 2.44 8.00 -1.26 -0.34 116.55 128.36 3kl2 n ASP 57 Ca -0.19 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.45 3kl2 n ASP 57 Cb 0.53 -1.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.40 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 2.12 2.94 3.77 0.44 0.00 -1.26 -5.05 105.19 108.16 3kl2 n GLY 58 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3kl2 n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kl2 s GLY 59 N -2.15 2.94 0.40 -0.02 0.00 0.53 -4.94 107.32 104.10 3kl2 s GLY 59 Ca 0.00 1.30 0.08 0.00 0.00 0.00 0.00 44.72 46.10 3kl2 s GLY 59 CO 0.00 1.92 2.01 -2.08 0.00 0.00 0.00 173.10 174.95 3kl2 h VAL 60 N 2.64 1.12 -0.23 1.40 2.07 -1.83 -2.90 116.25 118.52 3kl2 h VAL 60 Ca -0.50 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.65 3kl2 h VAL 60 Cb 1.24 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3kl2 h VAL 60 CO 0.63 0.14 0.00 0.18 0.02 0.00 0.00 177.57 178.55 3kl2 n LEU 61 N -4.42 2.76 -0.13 2.57 4.77 -0.15 -4.61 117.00 117.80 3kl2 n LEU 61 Ca 0.02 -1.45 -0.12 0.00 -0.03 0.00 0.00 56.01 54.43 3kl2 n LEU 61 Cb 0.13 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 3kl2 n LEU 61 CO 0.36 0.60 0.67 -0.74 -1.33 0.00 0.00 177.39 176.95 3kl2 h HIS 62 N 3.00 0.93 -1.00 -1.77 2.76 -1.19 -2.60 115.15 115.28 3kl2 h HIS 62 Ca 0.00 -0.22 0.13 0.00 -2.20 0.00 0.00 60.37 58.07 3kl2 h HIS 62 Cb 0.73 -0.22 -0.09 0.00 1.55 0.00 0.00 27.41 29.39 3kl2 h HIS 62 CO 0.15 0.97 0.63 0.78 -1.30 0.00 0.00 177.93 179.16 3kl2 h GLY 63 N 0.62 1.65 2.00 5.26 0.00 -1.81 -0.86 103.07 109.92 3kl2 h GLY 63 Ca 0.09 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 3kl2 h GLY 63 CO 0.05 0.14 -0.48 0.00 0.00 0.00 0.00 176.54 176.26 3kl2 h ALA 64 N 1.55 1.01 -0.09 3.60 0.00 -1.79 -3.28 119.26 120.26 3kl2 h ALA 64 Ca 0.50 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kl2 h ALA 64 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3kl2 h ALA 64 CO -0.28 0.60 0.00 1.33 0.00 0.00 0.00 179.25 180.90 3kl2 n VAL 65 N -3.68 0.19 -0.18 0.00 0.24 -0.83 -4.22 118.33 109.86 3kl2 n VAL 65 Ca -0.01 -0.59 -0.07 0.00 -2.04 0.00 0.00 64.34 61.63 3kl2 n VAL 65 Cb 0.55 1.14 0.03 0.00 -1.47 0.00 0.00 33.84 34.09 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 2.69 0.66 -0.64 2.33 0.00 -1.24 -0.90 119.26 122.17 3kl2 h ALA 66 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kl2 h ALA 66 Cb 0.62 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3kl2 h ALA 66 CO 0.00 0.10 0.41 0.38 0.00 0.00 0.00 179.25 180.14 3kl2 h ASP 67 N 0.70 0.75 -0.01 0.00 2.03 -1.83 0.39 116.42 118.45 3kl2 h ASP 67 Ca 0.19 -0.04 -0.26 0.00 -0.73 0.00 0.00 57.03 56.20 3kl2 h ASP 67 Cb -0.07 -0.19 0.02 0.00 -0.83 0.00 0.00 39.33 38.26 3kl2 h ASP 67 CO -0.05 0.57 -1.00 0.58 -1.03 0.00 0.00 179.24 178.31 3kl2 h VAL 68 N 0.87 1.29 -0.42 4.15 2.07 -1.73 -0.78 116.25 121.70 3kl2 h VAL 68 Ca 0.23 -2.21 0.07 0.00 0.82 0.00 0.00 66.70 65.61 3kl2 h VAL 68 Cb -0.07 2.37 -0.06 0.00 -1.52 0.00 0.00 31.29 32.01 3kl2 h VAL 68 CO -0.05 0.68 0.04 0.24 0.02 0.00 0.00 177.57 178.50 3kl2 h MET 69 N 0.37 0.15 -0.33 1.57 2.07 -0.68 -1.88 114.93 116.20 3kl2 h MET 69 Ca -0.12 -0.01 0.01 0.00 -2.07 0.00 0.00 59.70 57.51 3kl2 h MET 69 Cb 1.65 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 31.33 3kl2 h MET 69 CO 0.20 0.10 0.21 0.37 1.07 0.00 0.00 176.91 178.85 3kl2 h GLN 70 N 0.15 0.41 -0.17 1.72 4.15 -0.00 -0.65 115.11 120.73 3kl2 h GLN 70 Ca 0.21 -0.02 -0.13 0.00 0.77 0.00 0.00 58.65 59.48 3kl2 h GLN 70 Cb 0.28 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 3kl2 h GLN 70 CO -0.31 0.27 -0.44 0.45 -1.93 0.00 0.00 178.83 176.87 3kl2 h HIS 71 N 0.42 0.49 0.00 3.99 3.86 -0.67 -3.22 115.15 120.02 3kl2 h HIS 71 Ca 0.12 -0.15 -0.08 0.00 -1.16 0.00 0.00 60.37 59.10 3kl2 h HIS 71 Cb -0.03 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 3kl2 h HIS 71 CO -0.06 0.78 -1.27 0.25 0.86 0.00 0.00 177.93 178.49 3kl2 n THR 72 N -4.00 0.87 -2.61 2.45 -2.24 -0.75 -4.97 114.28 103.02 3kl2 n THR 72 Ca -0.02 -0.62 -0.14 0.00 -2.27 0.00 0.00 64.05 61.01 3kl2 n THR 72 Cb 0.52 -0.51 0.02 0.00 -2.10 0.00 0.00 70.33 68.26 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 1.30 -0.09 0.29 3.38 0.00 -0.26 -4.86 105.19 104.95 3kl2 n GLY 73 Ca -0.05 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.65 0.36 0.13 1.61 -0.00 -1.66 -1.44 114.93 113.27 3kl2 h MET 74 Ca -0.33 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.70 59.35 3kl2 h MET 74 Cb 1.23 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 32.75 3kl2 h MET 74 CO 0.36 0.24 -0.06 1.25 -0.00 0.00 0.00 176.91 178.70 3kl2 h LEU 75 N 0.37 -0.15 -0.93 -0.10 5.85 -1.87 -1.02 115.31 117.47 3kl2 h LEU 75 Ca 0.10 -0.39 -0.06 0.00 0.84 0.00 0.00 57.88 58.37 3kl2 h LEU 75 Cb -0.04 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3kl2 h LEU 75 CO -0.02 0.37 0.11 0.00 -0.34 0.00 0.00 178.44 178.56 3kl2 h ALA 76 N -0.00 1.12 -0.76 1.25 0.00 -1.93 -1.95 119.26 116.98 3kl2 h ALA 76 Ca -0.02 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3kl2 h ALA 76 Cb 0.53 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3kl2 h ALA 76 CO 0.03 0.58 0.28 -0.91 0.00 0.00 0.00 179.25 179.24 3kl2 h ASN 77 N 0.86 1.07 0.04 0.00 2.35 -1.26 -1.34 115.58 117.29 3kl2 h ASN 77 Ca 0.18 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3kl2 h ASN 77 Cb 0.35 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 3kl2 h ASN 77 CO 0.00 0.96 -0.03 0.74 -1.65 0.00 0.00 177.43 177.46 3kl2 h THR 78 N 1.12 0.94 -0.90 2.81 2.02 -0.65 -1.14 112.91 117.10 3kl2 h THR 78 Ca 0.25 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.52 3kl2 h THR 78 Cb 0.24 0.94 -0.07 0.00 -1.74 0.00 0.00 68.15 67.52 3kl2 h THR 78 CO -0.02 0.00 0.55 0.58 0.37 0.00 0.00 175.52 177.00 3kl2 h VAL 79 N -0.07 0.97 -0.61 3.16 2.07 -1.23 0.13 116.25 120.67 3kl2 h VAL 79 Ca -0.00 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 3kl2 h VAL 79 Cb 0.06 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.75 3kl2 h VAL 79 CO 0.00 0.17 0.18 0.00 0.02 0.00 0.00 177.57 177.94 3kl2 h ALA 80 N 1.46 0.80 -0.45 1.67 0.00 -0.91 -0.04 119.26 121.78 3kl2 h ALA 80 Ca 0.42 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3kl2 h ALA 80 Cb 0.32 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3kl2 h ALA 80 CO -0.22 0.48 0.06 0.28 0.00 0.00 0.00 179.25 179.85 3kl2 h VAL 81 N 0.88 1.25 -0.34 0.00 2.07 -0.03 -2.05 116.25 118.03 3kl2 h VAL 81 Ca 0.19 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 3kl2 h VAL 81 Cb 0.31 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3kl2 h VAL 81 CO -0.00 0.32 0.20 0.58 0.02 0.00 0.00 177.57 178.69 3kl2 h VAL 82 N 0.62 1.12 -0.43 2.57 2.07 -0.57 0.28 116.25 121.91 3kl2 h VAL 82 Ca 0.14 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.42 3kl2 h VAL 82 Cb 0.40 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3kl2 h VAL 82 CO 0.01 0.12 0.20 0.44 0.02 0.00 0.00 177.57 178.36 3kl2 h ASP 83 N 0.44 0.28 -0.56 0.57 3.32 -0.99 -0.28 116.42 119.19 3kl2 h ASP 83 Ca 0.12 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 3kl2 h ASP 83 Cb 0.01 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3kl2 h ASP 83 CO -0.02 0.20 0.15 0.00 -1.72 0.00 0.00 179.24 177.85 3kl2 h ALA 84 N 1.24 1.13 -0.56 3.45 0.00 -0.88 -2.18 119.26 121.46 3kl2 h ALA 84 Ca 0.19 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3kl2 h ALA 84 Cb 0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3kl2 h ALA 84 CO -0.15 0.59 -0.01 0.00 0.00 0.00 0.00 179.25 179.68 3kl2 h ALA 85 N 1.27 0.92 -0.33 0.00 0.00 0.11 -2.12 119.26 119.10 3kl2 h ALA 85 Ca 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3kl2 h ALA 85 Cb 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3kl2 h ALA 85 CO -0.00 0.64 0.13 0.00 0.00 0.00 0.00 179.25 180.02 3kl2 h ARG 86 N 0.90 0.50 -0.94 0.00 3.08 -0.79 -0.64 114.38 116.48 3kl2 h ARG 86 Ca 0.16 -0.09 0.17 0.00 0.07 0.00 0.00 59.98 60.29 3kl2 h ARG 86 Cb 0.54 -0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.43 3kl2 h ARG 86 CO 0.03 0.50 0.60 0.37 -1.07 0.00 0.00 179.97 180.40 3kl2 h GLN 87 N 0.39 0.67 -0.00 0.04 4.15 -1.27 -2.01 115.11 117.07 3kl2 h GLN 87 Ca 0.11 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3kl2 h GLN 87 Cb 0.19 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.73 3kl2 h GLN 87 CO -0.01 0.44 -0.22 0.00 -1.93 0.00 0.00 178.83 177.11 3kl2 n ALA 88 N -2.41 2.90 -0.92 3.38 0.00 -0.81 -4.93 120.51 117.72 3kl2 n ALA 88 Ca 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3kl2 n ALA 88 Cb 0.54 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 1.45 0.46 3.70 0.00 0.00 -0.75 -4.88 105.19 105.17 3kl2 n GLY 89 Ca 0.08 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 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 5.12 0.39 1.61 1.01 -0.32 -4.86 120.40 121.35 3kl2 s VAL 90 Ca 0.00 1.10 -0.27 0.00 0.00 0.00 0.00 61.98 62.82 3kl2 s VAL 90 Cb 0.00 -3.89 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 3kl2 s VAL 90 CO 0.00 0.25 1.32 -2.84 0.00 0.00 0.00 175.10 173.83 3kl2 s PRO 91 N 1.03 4.05 -0.17 2.72 0.02 -1.26 -4.36 135.00 137.03 3kl2 s PRO 91 Ca 0.29 2.20 -0.04 0.00 0.02 0.00 0.00 61.00 63.47 3kl2 s PRO 91 Cb -0.16 -2.83 -0.02 0.00 0.02 0.00 0.00 34.50 31.50 3kl2 s PRO 91 CO 0.12 -0.44 -0.04 0.42 -0.33 0.00 0.00 177.00 176.73 3kl2 s ILE 92 N -1.23 3.77 -0.18 2.83 -1.09 -1.26 -1.22 121.20 122.81 3kl2 s ILE 92 Ca 0.55 -0.39 0.01 0.00 -2.23 0.00 0.00 60.65 58.58 3kl2 s ILE 92 Cb -0.39 -2.66 0.03 0.00 -1.58 0.00 0.00 42.46 37.86 3kl2 s ILE 92 CO 0.51 0.47 -0.13 -0.04 -1.23 0.00 0.00 174.94 174.52 3kl2 s MET 93 N 0.63 2.23 -0.06 2.79 -1.94 0.40 -2.07 119.30 121.28 3kl2 s MET 93 Ca -0.03 -0.76 -0.16 0.00 -1.71 0.00 0.00 55.69 53.03 3kl2 s MET 93 Cb -0.14 -2.34 -0.05 0.00 2.01 0.00 0.00 34.83 34.31 3kl2 s MET 93 CO 0.02 -0.34 0.44 -1.01 -0.01 0.00 0.00 175.02 174.12 3kl2 s HIS 94 N 1.41 3.63 -0.53 -0.03 3.76 -0.44 -0.46 115.29 122.61 3kl2 s HIS 94 Ca 0.01 0.94 0.04 0.00 -0.15 0.00 0.00 55.06 55.90 3kl2 s HIS 94 Cb -0.15 -2.42 0.15 0.00 1.11 0.00 0.00 32.58 31.27 3kl2 s HIS 94 CO -0.09 0.41 0.34 0.00 -0.85 0.00 0.00 174.74 174.54 3kl2 s ALA 95 N -0.26 2.77 0.30 -1.40 0.00 0.72 -0.04 121.76 123.86 3kl2 s ALA 95 Ca 0.24 -3.09 -0.07 0.00 0.00 0.00 0.00 51.96 49.05 3kl2 s ALA 95 Cb -0.16 -1.98 -0.06 0.00 0.00 0.00 0.00 23.12 20.92 3kl2 s ALA 95 CO 0.12 -2.05 0.59 -1.25 0.00 0.00 0.00 175.76 173.17 3kl2 s PRO 96 N -0.37 3.69 -0.18 0.00 0.04 -1.26 -0.97 135.00 135.94 3kl2 s PRO 96 Ca 0.22 0.13 -0.08 0.00 0.04 0.00 0.00 61.00 61.31 3kl2 s PRO 96 Cb -0.14 -2.60 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 3kl2 s PRO 96 CO -0.08 0.18 0.08 -1.50 0.04 0.00 0.00 177.00 175.72 3kl2 s ILE 97 N -2.10 4.96 0.06 0.56 2.07 -1.26 -4.29 121.20 121.20 3kl2 s ILE 97 Ca 0.46 0.03 -0.04 0.00 -1.41 0.00 0.00 60.65 59.68 3kl2 s ILE 97 Cb -0.11 -3.24 -0.02 0.00 0.13 0.00 0.00 42.46 39.22 3kl2 s ILE 97 CO 0.29 0.46 0.06 0.42 -1.91 0.00 0.00 174.94 174.26 3kl2 s THR 98 N 0.33 0.18 -0.03 4.00 -4.23 -1.22 -4.81 115.64 109.85 3kl2 s THR 98 Ca 0.05 -1.45 0.02 0.00 -1.18 0.00 0.00 61.69 59.12 3kl2 s THR 98 Cb -0.12 -1.31 0.01 0.00 1.34 0.00 0.00 72.50 72.42 3kl2 s THR 98 CO -0.00 -0.80 -0.06 -0.36 -0.54 0.00 0.00 174.62 172.86 3kl2 s PHE 99 N -3.58 0.75 0.20 3.99 0.08 -0.48 -4.67 117.98 114.26 3kl2 s PHE 99 Ca 0.03 -0.19 -0.32 0.00 0.12 0.00 0.00 56.93 56.57 3kl2 s PHE 99 Cb 0.05 -0.61 -0.15 0.00 -0.57 0.00 0.00 43.02 41.74 3kl2 s PHE 99 CO -0.09 -0.14 1.25 0.00 -0.10 0.00 0.00 175.22 176.15 3kl2 n ALA 100 N 3.68 -0.06 -1.55 5.36 0.00 -1.26 -0.35 120.51 126.33 3kl2 n ALA 100 Ca -0.22 0.44 -0.51 0.00 0.00 0.00 0.00 53.44 53.16 3kl2 n ALA 100 Cb 0.53 -2.12 -0.05 0.00 0.00 0.00 0.00 19.45 17.81 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 1.86 0.84 0.00 0.00 2.13 -1.26 -1.96 120.64 122.25 3kl2 n GLU 101 Ca 0.14 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.26 3kl2 n GLU 101 Cb 0.27 -1.76 0.00 0.00 0.27 0.00 0.00 31.44 30.22 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 1.97 1.04 2.41 8.31 0.00 -1.26 -4.58 105.19 113.08 3kl2 n GLY 102 Ca 0.16 0.00 -0.20 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 -2.00 -0.97 0.65 1.61 4.01 -0.83 -4.90 117.16 114.74 3kl2 n TYR 103 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 3kl2 n TYR 103 Cb 0.00 -3.85 0.37 0.00 -0.31 0.00 0.00 39.34 35.56 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 -0.96 -0.93 0.00 2.72 0.00 -1.26 -1.52 105.19 103.24 3kl2 n GLY 104 Ca -0.24 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.39 0.03 -4.18 1.61 1.02 -1.26 -4.90 120.64 111.57 3kl2 n GLU 105 Ca 0.06 0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 56.98 3kl2 n GLU 105 Cb 0.16 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.01 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 -2.97 3.19 0.47 -4.62 1.43 -0.58 -5.09 118.68 110.52 3kl2 s LEU 106 Ca 0.15 -0.80 -0.22 0.00 -1.03 0.00 0.00 54.13 52.23 3kl2 s LEU 106 Cb 0.19 -1.65 -0.09 0.00 0.03 0.00 0.00 46.19 44.66 3kl2 s LEU 106 CO 0.51 -0.23 0.93 1.07 0.23 0.00 0.00 176.35 178.85 3kl2 n THR 107 N -1.07 2.66 0.48 5.49 5.66 -1.26 -4.90 114.28 121.34 3kl2 n THR 107 Ca -0.04 -0.50 0.11 0.00 -3.05 0.00 0.00 64.05 60.57 3kl2 n THR 107 Cb 0.61 -1.08 0.45 0.00 -1.55 0.00 0.00 70.33 68.76 3kl2 n THR 107 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 3kl2 n ARG 108 N -0.10 0.16 -3.20 1.09 0.00 -1.26 -4.07 116.66 109.28 3kl2 n ARG 108 Ca 0.11 0.34 -0.25 0.00 -0.00 0.00 0.00 57.85 58.05 3kl2 n ARG 108 Cb 0.42 -1.78 -0.06 0.00 -0.00 0.00 0.00 32.46 31.04 3kl2 n ARG 108 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3kl2 n HIS 109 N -2.08 2.26 -2.45 2.89 8.25 -1.26 -5.10 115.22 117.74 3kl2 n HIS 109 Ca 0.03 -3.92 -0.35 0.00 -0.26 0.00 0.00 57.72 53.21 3kl2 n HIS 109 Cb 0.25 -0.47 -0.03 0.00 1.12 0.00 0.00 29.99 30.87 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 -2.44 3.83 0.52 -0.41 0.04 -1.26 -5.06 135.00 130.21 3kl2 s PRO 110 Ca 0.41 1.51 0.01 0.00 0.04 0.00 0.00 61.00 62.97 3kl2 s PRO 110 Cb 0.22 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 3kl2 s PRO 110 CO -0.08 -0.44 0.01 1.52 0.04 0.00 0.00 177.00 178.06 3kl2 s TYR 111 N -1.78 1.80 0.00 0.56 1.13 -1.26 -4.61 117.35 113.19 3kl2 s TYR 111 Ca 0.65 -0.98 0.00 0.00 -1.41 0.00 0.00 57.07 55.33 3kl2 s TYR 111 Cb -0.21 -1.60 0.00 0.00 -1.10 0.00 0.00 41.96 39.04 3kl2 s TYR 111 CO 0.26 0.19 0.00 0.41 -2.51 0.00 0.00 175.55 173.90 3kl2 n GLY 112 N -1.31 1.02 0.21 5.49 0.00 -1.26 -3.58 105.19 105.76 3kl2 n GLY 112 Ca -0.20 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 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 1.24 0.00 -0.61 6.09 -2.02 -1.70 117.51 120.51 3kl2 h ILE 113 Ca 0.00 -0.88 0.00 0.00 -1.37 0.00 0.00 64.86 62.61 3kl2 h ILE 113 Cb 0.00 1.02 0.00 0.00 0.47 0.00 0.00 36.82 38.31 3kl2 h ILE 113 CO 0.00 0.30 0.00 -0.07 -3.07 0.00 0.00 178.15 175.31 3kl2 h LEU 114 N 0.53 0.00 -0.46 2.19 3.38 -1.97 -1.17 115.31 117.81 3kl2 h LEU 114 Ca 0.12 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3kl2 h LEU 114 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3kl2 h LEU 114 CO 0.01 0.00 0.02 0.50 0.09 0.00 0.00 178.44 179.06 3kl2 h LYS 115 N 0.00 0.79 0.00 1.13 3.64 -1.36 -2.59 116.57 118.19 3kl2 h LYS 115 Ca 0.00 -0.24 -0.04 0.00 -1.27 0.00 0.00 60.65 59.10 3kl2 h LYS 115 Cb 0.08 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3kl2 h LYS 115 CO 0.00 0.84 -0.18 0.78 -2.27 0.00 0.00 179.45 178.62 3kl2 h GLY 116 N 0.65 0.00 0.63 5.01 0.00 -1.34 -1.18 103.07 106.84 3kl2 h GLY 116 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 3kl2 h GLY 116 CO 0.02 0.00 -0.07 -2.08 0.00 0.00 0.00 176.54 174.41 3kl2 h VAL 117 N 0.00 0.99 -0.12 4.60 2.07 -1.51 0.59 116.25 122.87 3kl2 h VAL 117 Ca -0.00 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 66.79 3kl2 h VAL 117 Cb 0.33 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3kl2 h VAL 117 CO 0.02 0.17 -0.05 0.58 0.02 0.00 0.00 177.57 178.31 3kl2 h VAL 118 N -0.58 0.82 -0.29 2.57 2.07 -1.41 -0.88 116.25 118.56 3kl2 h VAL 118 Ca -0.02 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.36 3kl2 h VAL 118 Cb 0.44 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3kl2 h VAL 118 CO 0.03 0.00 -0.39 0.44 0.02 0.00 0.00 177.57 177.68 3kl2 h ASP 119 N -0.04 0.71 0.61 0.57 3.32 -1.22 -1.65 116.42 118.72 3kl2 h ASP 119 Ca 0.07 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3kl2 h ASP 119 Cb 0.14 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3kl2 h ASP 119 CO -0.15 1.02 0.00 0.61 -1.72 0.00 0.00 179.24 179.00 3kl2 n GLY 120 N 0.01 -1.18 3.59 2.75 0.00 0.20 -4.95 105.19 105.60 3kl2 n GLY 120 Ca -0.02 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.38 -3.07 -3.97 1.61 5.02 -0.62 -4.99 118.16 110.76 3kl2 n LYS 121 Ca 0.09 0.62 -0.25 0.00 -2.02 0.00 0.00 58.31 56.75 3kl2 n LYS 121 Cb 0.23 -4.98 -0.03 0.00 -0.02 0.00 0.00 35.03 30.23 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 -3.54 3.91 -1.41 7.82 0.00 -0.43 -4.56 121.76 123.55 3kl2 s ALA 122 Ca 0.27 -1.09 -0.10 0.00 0.00 0.00 0.00 51.96 51.04 3kl2 s ALA 122 Cb -0.07 -1.71 0.06 0.00 0.00 0.00 0.00 23.12 21.40 3kl2 s ALA 122 CO 0.81 0.49 0.63 1.19 0.00 0.00 0.00 175.76 178.88 3kl2 n PHE 123 N -0.65 -1.95 -2.09 0.00 3.01 -1.26 -4.79 117.46 109.73 3kl2 n PHE 123 Ca -0.07 0.58 -0.42 0.00 1.01 0.00 0.00 57.45 58.55 3kl2 n PHE 123 Cb 0.55 -3.52 -0.03 0.00 -0.01 0.00 0.00 39.48 36.47 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 -3.07 2.95 0.23 -4.37 1.01 -1.26 -1.38 120.40 114.50 3kl2 s VAL 124 Ca 0.45 0.74 -0.32 0.00 0.00 0.00 0.00 61.98 62.85 3kl2 s VAL 124 Cb -0.23 -3.47 -0.14 0.00 0.00 0.00 0.00 36.38 32.55 3kl2 s VAL 124 CO 0.55 0.09 1.41 1.17 0.00 0.00 0.00 175.10 178.32 3kl2 n LYS 125 N 3.10 1.99 -1.05 2.72 4.81 0.53 -2.58 118.16 127.68 3kl2 n LYS 125 Ca 0.09 0.71 -0.02 0.00 -0.87 0.00 0.00 58.31 58.22 3kl2 n LYS 125 Cb 0.41 -2.37 -0.01 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 2.27 0.52 3.91 3.14 0.00 -1.26 -4.80 105.19 108.97 3kl2 n GLY 126 Ca 0.12 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.94 4.13 0.20 2.61 -4.23 -1.07 -5.02 115.64 110.33 3kl2 s THR 127 Ca 0.00 -1.20 -0.10 0.00 -1.18 0.00 0.00 61.69 59.21 3kl2 s THR 127 Cb 0.00 -3.40 0.14 0.00 1.34 0.00 0.00 72.50 70.58 3kl2 s THR 127 CO 0.00 -0.22 1.73 -0.25 -0.54 0.00 0.00 174.62 175.34 3kl2 h TRP 128 N 1.16 0.30 -0.85 3.99 7.01 -1.96 -2.19 115.95 123.42 3kl2 h TRP 128 Ca -0.47 0.03 0.09 0.00 2.11 0.00 0.00 58.89 60.66 3kl2 h TRP 128 Cb 1.25 -0.05 -0.07 0.00 -2.10 0.00 0.00 29.16 28.19 3kl2 h TRP 128 CO 0.49 0.05 0.50 0.78 -2.79 0.00 0.00 178.44 177.47 3kl2 h GLY 129 N 0.34 1.33 2.00 2.65 0.00 -1.92 -0.23 103.07 107.24 3kl2 h GLY 129 Ca 0.30 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3kl2 h GLY 129 CO -0.33 0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.37 3kl2 h ALA 130 N 1.46 1.00 -2.66 3.60 0.00 -1.58 -1.27 119.26 119.81 3kl2 h ALA 130 Ca 0.41 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.81 3kl2 h ALA 130 Cb 0.35 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.19 3kl2 h ALA 130 CO -0.24 0.00 0.47 0.00 0.00 0.00 0.00 179.25 179.49 3kl2 s ALA 131 N -3.63 3.03 0.28 0.00 0.00 -0.10 -4.76 121.76 116.60 3kl2 s ALA 131 Ca 0.02 0.90 -0.29 0.00 0.00 0.00 0.00 51.96 52.58 3kl2 s ALA 131 Cb 0.09 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 19.75 3kl2 s ALA 131 CO 0.55 -0.54 1.35 0.42 0.00 0.00 0.00 175.76 177.53 3kl2 s ILE 132 N -1.54 2.78 0.30 0.00 1.01 -1.26 -0.47 121.20 122.02 3kl2 s ILE 132 Ca 0.61 0.71 -0.28 0.00 0.00 0.00 0.00 60.65 61.69 3kl2 s ILE 132 Cb -0.28 -3.45 -0.13 0.00 0.01 0.00 0.00 42.46 38.60 3kl2 s ILE 132 CO 0.34 0.14 1.14 0.55 0.00 0.00 0.00 174.94 177.12 3kl2 n VAL 133 N 1.57 1.92 -0.29 2.92 3.14 0.38 -4.75 118.33 123.21 3kl2 n VAL 133 Ca 0.03 -0.48 -0.01 0.00 -2.96 0.00 0.00 64.34 60.92 3kl2 n VAL 133 Cb 0.41 -1.24 0.06 0.00 -1.06 0.00 0.00 33.84 32.01 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 2.36 -1.06 0.17 6.55 3.32 -1.91 -0.50 116.42 125.34 3kl2 h ASP 134 Ca -0.42 0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3kl2 h ASP 134 Cb 1.31 0.60 0.00 0.00 0.22 0.00 0.00 39.33 41.46 3kl2 h ASP 134 CO 0.62 -0.29 0.00 1.05 -1.72 0.00 0.00 179.24 178.91 3kl2 h GLU 135 N -0.05 0.00 -0.20 3.56 9.09 -1.99 -2.27 114.58 122.72 3kl2 h GLU 135 Ca 0.33 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.74 3kl2 h GLU 135 Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.69 3kl2 h GLU 135 CO -0.83 0.00 0.00 1.28 0.05 0.00 0.00 179.01 179.51 3kl2 n LEU 136 N -2.67 3.05 -4.71 3.06 4.77 -0.23 -4.99 117.00 115.28 3kl2 n LEU 136 Ca -0.02 -2.59 -0.41 0.00 -0.03 0.00 0.00 56.01 52.97 3kl2 n LEU 136 Cb 0.09 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 40.84 3kl2 n LEU 136 CO 0.17 0.67 0.91 0.00 -1.33 0.00 0.00 177.39 177.80 3kl2 n ALA 137 N -0.38 1.39 -1.85 -1.18 0.00 -0.86 -4.87 120.51 112.76 3kl2 n ALA 137 Ca 0.14 0.29 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 3kl2 n ALA 137 Cb 0.62 -2.28 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 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 -2.14 4.17 0.22 0.00 0.02 -1.26 -5.01 135.00 131.01 3kl2 s PRO 138 Ca 0.59 2.43 0.10 0.00 0.02 0.00 0.00 61.00 64.14 3kl2 s PRO 138 Cb -0.52 -3.62 -0.05 0.00 0.02 0.00 0.00 34.50 30.33 3kl2 s PRO 138 CO 0.59 -0.78 -0.19 0.14 -0.33 0.00 0.00 177.00 176.43 3kl2 s VAL 139 N 2.76 2.15 -0.05 3.83 -7.23 -1.26 -4.98 120.40 115.62 3kl2 s VAL 139 Ca 0.77 -2.19 -0.40 0.00 -1.81 0.00 0.00 61.98 58.35 3kl2 s VAL 139 Cb -0.42 -2.11 -0.19 0.00 0.56 0.00 0.00 36.38 34.22 3kl2 s VAL 139 CO 0.34 -0.38 1.27 0.59 -0.31 0.00 0.00 175.10 176.61 3kl2 n ASN 140 N -0.21 0.86 0.00 4.85 3.02 -1.26 -1.41 115.26 121.11 3kl2 n ASN 140 Ca -0.09 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.61 3kl2 n ASN 140 Cb 0.59 -1.02 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 3kl2 n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kl2 n GLY 141 N 2.32 2.48 3.68 7.41 0.00 -1.26 -5.08 105.19 114.74 3kl2 n GLY 141 Ca 0.21 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 3kl2 n GLY 141 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kl2 s ASP 142 N -0.02 3.03 -0.07 1.61 1.01 -0.50 -4.88 116.67 116.85 3kl2 s ASP 142 Ca 0.00 2.19 0.05 0.00 0.71 0.00 0.00 52.55 55.50 3kl2 s ASP 142 Cb 0.00 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 3kl2 s ASP 142 CO 0.00 -3.03 -0.24 -0.63 0.21 0.00 0.00 175.17 171.48 3kl2 s ILE 143 N -2.63 2.15 -0.30 0.77 1.01 -0.88 -4.95 121.20 116.37 3kl2 s ILE 143 Ca 0.67 -1.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 3kl2 s ILE 143 Cb -0.23 -1.80 0.04 0.00 0.01 0.00 0.00 42.46 40.49 3kl2 s ILE 143 CO 0.57 0.57 0.01 -0.69 0.00 0.00 0.00 174.94 175.40 3kl2 s VAL 144 N -0.01 3.11 0.43 2.92 1.01 -1.26 -1.33 120.40 125.27 3kl2 s VAL 144 Ca -0.08 -1.28 -0.25 0.00 0.00 0.00 0.00 61.98 60.38 3kl2 s VAL 144 Cb -0.15 -2.75 -0.08 0.00 0.00 0.00 0.00 36.38 33.40 3kl2 s VAL 144 CO 0.05 -0.07 1.24 -0.63 0.00 0.00 0.00 175.10 175.69 3kl2 s ILE 145 N 1.29 2.80 -0.05 2.22 -1.09 0.95 -4.95 121.20 122.38 3kl2 s ILE 145 Ca -0.04 0.66 0.04 0.00 -2.23 0.00 0.00 60.65 59.09 3kl2 s ILE 145 Cb -0.19 -3.37 -0.02 0.00 -1.58 0.00 0.00 42.46 37.30 3kl2 s ILE 145 CO -0.01 0.05 -0.17 -1.61 -1.23 0.00 0.00 174.94 171.97 3kl2 s GLU 146 N -2.44 2.47 0.00 2.79 2.02 -1.26 -4.44 118.70 117.83 3kl2 s GLU 146 Ca 0.60 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.84 3kl2 s GLU 146 Cb -0.34 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.58 3kl2 s GLU 146 CO 0.43 0.58 0.00 0.41 0.02 0.00 0.00 175.26 176.70 3kl2 n GLY 147 N 2.42 1.09 3.68 -1.39 0.00 -1.26 -2.84 105.19 106.88 3kl2 n GLY 147 Ca -0.17 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.59 2.15 0.00 1.61 4.81 -1.24 -4.63 118.16 120.27 3kl2 n LYS 148 Ca 0.00 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 3kl2 n LYS 148 Cb 0.00 -2.62 0.00 0.00 0.02 0.00 0.00 35.03 32.43 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 6.22 0.79 -0.06 1.64 5.12 -1.26 -3.41 116.66 125.70 3kl2 n ARG 149 Ca 0.22 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.14 3kl2 n ARG 149 Cb 0.29 -0.93 0.00 0.00 -1.16 0.00 0.00 32.46 30.66 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 2.20 5.22 0.13 -0.13 0.00 -1.26 -5.02 105.19 106.34 3kl2 n GLY 150 Ca 0.00 -2.04 -0.21 0.00 0.00 0.00 0.00 46.02 43.77 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 2.55 -4.65 0.99 7.99 -1.26 -4.78 117.00 117.83 3kl2 n LEU 151 Ca 0.00 0.20 -0.43 0.00 -0.01 0.00 0.00 56.01 55.77 3kl2 n LEU 151 Cb 0.00 -1.06 -0.02 0.00 -0.11 0.00 0.00 43.42 42.23 3kl2 n LEU 151 CO 0.00 0.77 1.00 -0.62 -1.51 0.00 0.00 177.39 177.03 3kl2 s ASP 152 N -6.96 6.99 0.42 -1.43 -1.08 -1.26 -4.36 116.67 108.98 3kl2 s ASP 152 Ca -0.26 1.43 0.11 0.00 -0.52 0.00 0.00 52.55 53.31 3kl2 s ASP 152 Cb 0.07 -2.54 0.94 0.00 -1.46 0.00 0.00 42.92 39.93 3kl2 s ASP 152 CO 0.71 -0.76 2.00 0.74 0.52 0.00 0.00 175.17 178.37 3kl2 h THR 153 N 5.54 0.97 0.00 1.71 2.02 -1.86 -1.50 112.91 119.79 3kl2 h THR 153 Ca -0.22 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.78 3kl2 h THR 153 Cb 1.08 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3kl2 h THR 153 CO 0.99 0.09 0.00 -0.26 0.37 0.00 0.00 175.52 176.71 3kl2 h PHE 154 N 0.51 0.00 0.00 3.16 0.04 -1.91 -3.28 116.94 115.46 3kl2 h PHE 154 Ca 0.25 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.91 3kl2 h PHE 154 Cb 0.34 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 3kl2 h PHE 154 CO -0.00 0.00 -0.75 0.00 -0.60 0.00 0.00 178.31 176.96 3kl2 h ALA 155 N 2.12 0.67 0.00 2.45 0.00 -1.68 -3.39 119.26 119.44 3kl2 h ALA 155 Ca 0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3kl2 h ALA 155 Cb 0.44 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3kl2 h ALA 155 CO 0.00 0.65 -0.46 -1.13 0.00 0.00 0.00 179.25 178.31 3kl2 n SER 156 N -3.11 0.30 -3.89 0.00 3.41 -1.25 -5.06 113.62 104.03 3kl2 n SER 156 Ca -0.01 -2.13 -0.24 0.00 -0.26 0.00 0.00 58.87 56.23 3kl2 n SER 156 Cb 0.75 -0.23 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.33 0.40 -1.42 6.66 -4.23 -1.23 -3.69 115.64 111.79 3kl2 s THR 157 Ca 0.05 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.69 3kl2 s THR 157 Cb 0.05 -2.38 0.47 0.00 1.34 0.00 0.00 72.50 71.98 3kl2 s THR 157 CO -0.00 0.00 1.35 -0.46 -0.54 0.00 0.00 174.62 174.96 3kl2 n ASN 158 N -1.38 3.20 0.02 3.99 0.23 -1.13 -4.61 115.26 115.58 3kl2 n ASN 158 Ca -0.02 -2.24 -0.10 0.00 -0.53 0.00 0.00 54.58 51.69 3kl2 n ASN 158 Cb 0.64 -0.44 -0.04 0.00 -2.08 0.00 0.00 39.78 37.86 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 2.77 -0.42 -0.38 -4.53 5.85 -1.87 -1.43 115.31 115.29 3kl2 h LEU 159 Ca 0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3kl2 h LEU 159 Cb 0.97 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 3kl2 h LEU 159 CO 0.13 -0.19 0.20 -0.78 -0.34 0.00 0.00 178.44 177.46 3kl2 h ASP 160 N -0.20 0.48 -0.62 1.25 3.58 -1.89 -0.07 116.42 118.95 3kl2 h ASP 160 Ca 0.07 -0.11 0.08 0.00 0.42 0.00 0.00 57.03 57.49 3kl2 h ASP 160 Cb 0.30 -0.12 -0.06 0.00 1.72 0.00 0.00 39.33 41.16 3kl2 h ASP 160 CO -0.19 0.45 0.29 0.15 -2.88 0.00 0.00 179.24 177.06 3kl2 h PHE 161 N 0.48 0.52 0.06 0.28 3.57 -1.78 -2.13 116.94 117.93 3kl2 h PHE 161 Ca 0.13 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 3kl2 h PHE 161 Cb 0.08 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.69 3kl2 h PHE 161 CO -0.02 0.20 -0.03 0.82 -2.23 0.00 0.00 178.31 177.05 3kl2 h ILE 162 N 0.52 1.28 -0.62 1.41 2.04 -0.87 0.35 117.51 121.62 3kl2 h ILE 162 Ca 0.29 -1.45 0.13 0.00 1.00 0.00 0.00 64.86 64.83 3kl2 h ILE 162 Cb 0.28 2.19 -0.12 0.00 -0.74 0.00 0.00 36.82 38.43 3kl2 h ILE 162 CO -0.24 0.35 -0.12 -0.07 0.00 0.00 0.00 178.15 178.07 3kl2 h LEU 163 N -0.76 -0.51 -0.35 1.44 3.38 -0.97 -0.72 115.31 116.83 3kl2 h LEU 163 Ca -0.01 0.18 -0.19 0.00 0.09 0.00 0.00 57.88 57.95 3kl2 h LEU 163 Cb 0.62 0.36 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 3kl2 h LEU 163 CO 0.01 -0.19 -0.76 0.03 0.09 0.00 0.00 178.44 177.63 3kl2 h ARG 164 N 0.02 0.44 -0.72 1.13 2.47 -1.35 0.84 114.38 117.22 3kl2 h ARG 164 Ca 0.31 -0.38 0.02 0.00 -1.26 0.00 0.00 59.98 58.67 3kl2 h ARG 164 Cb 0.48 0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.84 3kl2 h ARG 164 CO -0.62 1.01 0.46 1.03 0.56 0.00 0.00 179.97 182.42 3kl2 h SER 165 N 0.30 0.78 0.39 7.04 0.87 -0.26 -2.70 113.55 119.97 3kl2 h SER 165 Ca -0.04 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 3kl2 h SER 165 Cb 1.35 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 3kl2 h SER 165 CO 0.13 0.55 -0.01 0.29 -0.53 0.00 0.00 176.83 177.27 3kl2 n LYS 166 N -4.62 0.62 -1.07 2.24 5.02 -0.34 -4.89 118.16 115.12 3kl2 n LYS 166 Ca 0.07 -0.03 -0.02 0.00 -2.02 0.00 0.00 58.31 56.31 3kl2 n LYS 166 Cb 0.05 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.55 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 1.20 0.57 3.67 0.72 0.00 -0.81 -4.92 105.19 105.63 3kl2 n GLY 167 Ca 0.17 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.09 4.72 -0.95 1.61 1.01 0.23 -4.58 120.40 120.35 3kl2 s VAL 168 Ca 0.00 1.99 0.08 0.00 0.00 0.00 0.00 61.98 64.05 3kl2 s VAL 168 Cb 0.00 -4.29 0.06 0.00 0.00 0.00 0.00 36.38 32.15 3kl2 s VAL 168 CO 0.00 -0.12 0.75 -0.90 0.00 0.00 0.00 175.10 174.83 3kl2 n ASP 169 N 5.93 1.65 -3.87 3.32 5.68 -0.34 -4.59 116.55 124.34 3kl2 n ASP 169 Ca 0.10 -1.33 -0.20 0.00 -0.50 0.00 0.00 54.79 52.87 3kl2 n ASP 169 Cb 0.47 -0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.28 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 -0.64 0.46 -0.04 2.12 2.01 -0.44 -1.21 115.64 117.89 3kl2 s THR 170 Ca 0.09 -0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.07 3kl2 s THR 170 Cb 0.06 -0.51 -0.01 0.00 0.01 0.00 0.00 72.50 72.06 3kl2 s THR 170 CO 0.10 0.21 -0.17 0.27 -0.69 0.00 0.00 174.62 174.34 3kl2 s ILE 171 N 1.01 1.43 -0.23 1.82 -4.36 -0.91 -1.71 121.20 118.26 3kl2 s ILE 171 Ca -0.10 -0.73 -0.05 0.00 -0.26 0.00 0.00 60.65 59.51 3kl2 s ILE 171 Cb -0.14 -1.22 -0.01 0.00 1.25 0.00 0.00 42.46 42.33 3kl2 s ILE 171 CO -0.01 0.41 0.00 -0.69 0.24 0.00 0.00 174.94 174.90 3kl2 s VAL 172 N -0.05 3.71 -0.11 8.37 1.01 -0.41 -0.75 120.40 132.17 3kl2 s VAL 172 Ca -0.02 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 3kl2 s VAL 172 Cb -0.11 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 3kl2 s VAL 172 CO 0.02 0.37 0.00 -0.76 0.00 0.00 0.00 175.10 174.73 3kl2 s LEU 173 N 1.52 3.55 0.15 3.92 1.43 0.18 -0.52 118.68 128.92 3kl2 s LEU 173 Ca 0.06 0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 53.23 3kl2 s LEU 173 Cb -0.15 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 3kl2 s LEU 173 CO -0.01 0.33 0.12 -0.83 0.23 0.00 0.00 176.35 176.18 3kl2 s GLY 174 N -0.56 0.94 0.00 -3.19 0.00 -0.98 -1.49 107.32 102.04 3kl2 s GLY 174 Ca 0.09 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.44 3kl2 s GLY 174 CO 0.02 -1.25 0.00 0.61 0.00 0.00 0.00 173.10 172.48 3kl2 n GLY 175 N -0.14 0.61 3.29 0.20 0.00 0.22 -1.88 105.19 107.49 3kl2 n GLY 175 Ca -0.05 -1.87 -0.26 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.15 1.91 0.05 1.61 0.08 -0.94 -1.76 117.98 116.78 3kl2 s PHE 176 Ca 0.00 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.66 3kl2 s PHE 176 Cb 0.00 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 41.33 3kl2 s PHE 176 CO 0.00 0.18 0.16 -0.51 -0.10 0.00 0.00 175.22 174.95 3kl2 s LEU 177 N -1.62 4.18 0.28 -0.37 1.43 -1.26 -4.16 118.68 117.16 3kl2 s LEU 177 Ca 0.08 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 3kl2 s LEU 177 Cb -0.10 -2.75 0.67 0.00 0.03 0.00 0.00 46.19 44.05 3kl2 s LEU 177 CO 0.03 0.19 1.66 0.74 0.23 0.00 0.00 176.35 179.20 3kl2 h THR 178 N 2.36 0.37 -0.46 5.49 2.02 -1.20 -1.93 112.91 119.55 3kl2 h THR 178 Ca -0.46 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.63 3kl2 h THR 178 Cb 1.16 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3kl2 h THR 178 CO 0.72 0.05 0.00 -0.46 0.37 0.00 0.00 175.52 176.19 3kl2 n ASN 179 N -5.19 3.29 0.00 4.18 6.94 -1.26 -2.88 115.26 120.34 3kl2 n ASN 179 Ca 0.20 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 52.81 3kl2 n ASN 179 Cb 0.64 -0.30 0.00 0.00 -2.36 0.00 0.00 39.78 37.76 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 0.29 1.12 -0.41 0.00 2.07 -1.55 -1.81 116.25 115.96 3kl2 h VAL 182 Ca 0.01 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.80 3kl2 h VAL 182 Cb 1.02 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.37 3kl2 h VAL 182 CO 0.09 0.18 0.25 -0.33 0.02 0.00 0.00 177.57 177.78 3kl2 h GLU 183 N -0.45 0.48 -0.52 1.57 5.08 -1.35 0.12 114.58 119.51 3kl2 h GLU 183 Ca -0.01 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3kl2 h GLU 183 Cb 0.38 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3kl2 h GLU 183 CO 0.02 0.32 0.18 0.77 -1.00 0.00 0.00 179.01 179.29 3kl2 h SER 184 N 0.50 0.74 -0.36 1.42 0.02 -0.93 0.17 113.55 115.12 3kl2 h SER 184 Ca 0.16 -0.20 -0.11 0.00 -0.84 0.00 0.00 61.79 60.80 3kl2 h SER 184 Cb -0.00 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 3kl2 h SER 184 CO -0.07 0.74 -0.21 0.74 -1.14 0.00 0.00 176.83 176.88 3kl2 h THR 185 N 0.70 1.29 -0.36 -2.27 2.02 -0.96 -2.48 112.91 110.85 3kl2 h THR 185 Ca 0.17 -1.35 0.06 0.00 0.77 0.00 0.00 66.41 66.05 3kl2 h THR 185 Cb 0.25 1.39 -0.05 0.00 -1.74 0.00 0.00 68.15 68.00 3kl2 h THR 185 CO -0.01 0.45 0.02 -0.03 0.37 0.00 0.00 175.52 176.32 3kl2 h MET 186 N 0.56 0.12 -0.34 6.66 -1.53 -0.59 0.43 114.93 120.24 3kl2 h MET 186 Ca 0.07 -0.01 0.01 0.00 -3.44 0.00 0.00 59.70 56.34 3kl2 h MET 186 Cb 0.77 -0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.77 3kl2 h MET 186 CO 0.06 0.08 0.21 0.00 0.14 0.00 0.00 176.91 177.41 3kl2 h ARG 187 N 0.13 0.42 -0.12 0.39 3.08 -0.48 -1.51 114.38 116.30 3kl2 h ARG 187 Ca 0.17 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.99 3kl2 h ARG 187 Cb 0.23 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3kl2 h ARG 187 CO -0.27 0.28 -0.77 1.15 -1.07 0.00 0.00 179.97 179.30 3kl2 h THR 188 N 0.44 1.32 -0.82 2.04 2.02 -1.32 -2.29 112.91 114.31 3kl2 h THR 188 Ca 0.13 -2.06 0.20 0.00 0.77 0.00 0.00 66.41 65.45 3kl2 h THR 188 Cb -0.03 2.05 -0.14 0.00 -1.74 0.00 0.00 68.15 68.29 3kl2 h THR 188 CO -0.04 0.64 0.01 1.23 0.37 0.00 0.00 175.52 177.72 3kl2 h GLY 189 N 0.89 0.94 0.94 2.16 0.00 -0.69 0.00 103.07 107.31 3kl2 h GLY 189 Ca -0.04 0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 3kl2 h GLY 189 CO 0.15 -0.34 0.01 -1.82 0.00 0.00 0.00 176.54 174.53 3kl2 h TYR 190 N 0.09 0.76 0.00 5.60 3.20 -0.93 -2.53 116.97 123.15 3kl2 h TYR 190 Ca 0.46 -0.13 -0.04 0.00 3.14 0.00 0.00 58.73 62.16 3kl2 h TYR 190 Cb 0.84 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 3kl2 h TYR 190 CO -0.45 0.77 -0.19 0.93 -1.64 0.00 0.00 178.16 177.58 3kl2 h GLU 191 N 0.52 0.00 -0.46 1.82 4.39 -0.74 -2.35 114.58 117.76 3kl2 h GLU 191 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3kl2 h GLU 191 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3kl2 h GLU 191 CO 0.02 0.19 0.00 0.54 -1.16 0.00 0.00 179.01 178.60 3kl2 n ARG 192 N -3.91 2.34 -0.08 2.33 1.74 -0.11 -4.95 116.66 114.03 3kl2 n ARG 192 Ca -0.02 -2.05 0.00 0.00 -0.77 0.00 0.00 57.85 55.01 3kl2 n ARG 192 Cb 0.28 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 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 1.43 0.59 3.75 -0.13 0.00 -0.89 -5.06 105.19 104.89 3kl2 n GLY 193 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.27 2.42 -0.58 1.61 0.08 -1.00 -4.96 117.98 113.29 3kl2 s PHE 194 Ca 0.00 1.47 -0.25 0.00 0.12 0.00 0.00 56.93 58.27 3kl2 s PHE 194 Cb 0.00 -3.58 0.04 0.00 -0.57 0.00 0.00 43.02 38.91 3kl2 s PHE 194 CO 0.00 -2.36 1.01 0.50 -0.10 0.00 0.00 175.22 174.27 3kl2 s ARG 195 N -3.08 3.34 -0.10 0.44 3.52 -0.35 -4.56 118.95 118.17 3kl2 s ARG 195 Ca 0.73 -0.21 -0.17 0.00 -0.13 0.00 0.00 55.73 55.94 3kl2 s ARG 195 Cb -0.34 -4.07 -0.04 0.00 -1.56 0.00 0.00 34.95 28.94 3kl2 s ARG 195 CO 0.39 -1.59 0.46 0.08 -0.81 0.00 0.00 175.30 173.82 3kl2 s VAL 196 N 4.26 5.16 -0.14 7.11 1.01 -1.26 -2.14 120.40 134.40 3kl2 s VAL 196 Ca 0.32 0.92 0.02 0.00 0.00 0.00 0.00 61.98 63.24 3kl2 s VAL 196 Cb -0.12 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.47 3kl2 s VAL 196 CO 0.19 0.37 -0.20 -0.63 0.00 0.00 0.00 175.10 174.84 3kl2 s ILE 197 N 0.34 2.30 -0.17 2.22 1.01 0.07 -0.13 121.20 126.84 3kl2 s ILE 197 Ca 0.25 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 3kl2 s ILE 197 Cb -0.15 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 3kl2 s ILE 197 CO 0.10 0.54 -0.02 0.42 0.00 0.00 0.00 174.94 175.98 3kl2 s THR 198 N 0.73 3.96 -0.74 2.92 -4.23 -1.00 0.51 115.64 117.79 3kl2 s THR 198 Ca -0.08 -0.33 -0.22 0.00 -1.18 0.00 0.00 61.69 59.88 3kl2 s THR 198 Cb -0.16 -2.75 0.08 0.00 1.34 0.00 0.00 72.50 71.01 3kl2 s THR 198 CO 0.01 0.48 1.03 -0.76 -0.54 0.00 0.00 174.62 174.84 3kl2 s LEU 199 N 0.51 4.45 0.50 4.79 1.43 -0.56 -0.98 118.68 128.83 3kl2 s LEU 199 Ca -0.02 -1.23 0.22 0.00 -1.03 0.00 0.00 54.13 52.07 3kl2 s LEU 199 Cb -0.14 -2.43 1.32 0.00 0.03 0.00 0.00 46.19 44.97 3kl2 s LEU 199 CO 0.02 -1.38 2.08 0.71 0.23 0.00 0.00 176.35 178.01 3kl2 h THR 200 N 5.99 0.82 -0.41 5.49 1.35 -1.47 -1.28 112.91 123.40 3kl2 h THR 200 Ca -0.17 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 3kl2 h THR 200 Cb 1.06 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3kl2 h THR 200 CO 1.18 0.12 0.00 -0.90 -0.25 0.00 0.00 175.52 175.67 3kl2 n ASP 201 N -4.01 3.99 -0.88 5.36 5.75 -1.26 -4.26 116.55 121.23 3kl2 n ASP 201 Ca -0.02 -2.59 0.02 0.00 -0.01 0.00 0.00 54.79 52.18 3kl2 n ASP 201 Cb 0.20 -0.48 0.17 0.00 -1.03 0.00 0.00 41.12 39.99 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 -3.24 0.65 0.05 0.00 -7.23 -1.23 -0.61 120.40 108.80 3kl2 s VAL 203 Ca 0.39 -1.56 -0.06 0.00 -1.81 0.00 0.00 61.98 58.94 3kl2 s VAL 203 Cb 0.38 -1.22 -0.01 0.00 0.56 0.00 0.00 36.38 36.09 3kl2 s VAL 203 CO -0.06 -0.64 0.12 0.00 -0.31 0.00 0.00 175.10 174.21 3kl2 s ALA 204 N -2.60 -0.09 0.23 1.32 0.00 -0.72 -4.88 121.76 115.01 3kl2 s ALA 204 Ca 0.02 -0.58 -0.00 0.00 0.00 0.00 0.00 51.96 51.40 3kl2 s ALA 204 Cb -0.02 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 3kl2 s ALA 204 CO -0.02 -0.37 0.19 0.00 0.00 0.00 0.00 175.76 175.56 3kl2 s ALA 205 N -2.99 1.20 -0.64 0.00 0.00 -1.26 -0.85 121.76 117.22 3kl2 s ALA 205 Ca -0.02 -1.71 0.26 0.00 0.00 0.00 0.00 51.96 50.48 3kl2 s ALA 205 Cb 0.01 1.38 0.85 0.00 0.00 0.00 0.00 23.12 25.36 3kl2 s ALA 205 CO -0.06 -0.63 1.76 1.79 0.00 0.00 0.00 175.76 178.62 3kl2 h THR 206 N 2.49 0.00 -3.43 0.00 1.35 -1.92 -3.41 112.91 108.00 3kl2 h THR 206 Ca -0.33 -0.44 -0.16 0.00 -0.55 0.00 0.00 66.41 64.93 3kl2 h THR 206 Cb 1.25 1.37 -0.23 0.00 -1.73 0.00 0.00 68.15 68.81 3kl2 h THR 206 CO 0.48 0.00 -0.50 -0.94 -0.25 0.00 0.00 175.52 174.31 3kl2 s SER 207 N -4.56 -0.06 0.24 5.36 1.04 -1.26 -4.80 113.70 109.66 3kl2 s SER 207 Ca 0.09 0.03 -0.04 0.00 0.48 0.00 0.00 55.95 56.50 3kl2 s SER 207 Cb 0.11 0.27 0.26 0.00 0.10 0.00 0.00 66.02 66.76 3kl2 s SER 207 CO 0.55 -0.24 1.76 -0.61 0.98 0.00 0.00 173.24 175.68 3kl2 h GLN 208 N 4.96 0.96 0.20 4.02 5.75 -1.97 -1.17 115.11 127.85 3kl2 h GLN 208 Ca -0.28 -0.23 -0.01 0.00 -0.15 0.00 0.00 58.65 57.98 3kl2 h GLN 208 Cb 1.20 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.62 3kl2 h GLN 208 CO 0.40 0.88 -0.10 0.93 -2.65 0.00 0.00 178.83 178.29 3kl2 h GLU 209 N 0.91 -0.26 -0.58 1.69 3.07 -1.98 0.56 114.58 117.99 3kl2 h GLU 209 Ca 0.19 0.02 0.11 0.00 -0.50 0.00 0.00 59.36 59.17 3kl2 h GLU 209 Cb 0.38 0.06 -0.08 0.00 -0.84 0.00 0.00 28.75 28.26 3kl2 h GLU 209 CO 0.01 0.03 0.12 0.93 -1.40 0.00 0.00 179.01 178.69 3kl2 h GLU 210 N -0.55 0.24 0.40 2.33 5.08 -1.97 0.71 114.58 120.81 3kl2 h GLU 210 Ca -0.03 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3kl2 h GLU 210 Cb 0.41 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3kl2 h GLU 210 CO 0.05 0.16 -0.23 1.25 -1.00 0.00 0.00 179.01 179.23 3kl2 h HIS 211 N 0.25 -0.60 -0.27 4.33 2.76 -0.97 -0.49 115.15 120.16 3kl2 h HIS 211 Ca 0.30 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.45 3kl2 h HIS 211 Cb 0.45 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.60 3kl2 h HIS 211 CO -0.25 -0.36 0.10 -0.91 -1.30 0.00 0.00 177.93 175.21 3kl2 h ASN 212 N -0.60 0.38 -0.45 3.26 2.35 0.58 -2.25 115.58 118.86 3kl2 h ASN 212 Ca -0.05 -0.17 0.07 0.00 -0.55 0.00 0.00 56.30 55.60 3kl2 h ASN 212 Cb 0.48 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.69 3kl2 h ASN 212 CO 0.06 0.45 0.12 0.78 -1.65 0.00 0.00 177.43 177.19 3kl2 h ASN 213 N 0.29 0.08 -0.66 5.81 2.35 -0.89 -0.80 115.58 121.76 3kl2 h ASN 213 Ca 0.09 0.07 0.07 0.00 -0.55 0.00 0.00 56.30 55.98 3kl2 h ASN 213 Cb 0.19 0.08 -0.06 0.00 0.05 0.00 0.00 38.32 38.58 3kl2 h ASN 213 CO -0.01 0.08 0.34 0.00 -1.65 0.00 0.00 177.43 176.19 3kl2 h ALA 214 N 1.33 0.88 -0.56 -0.83 0.00 -0.85 -1.72 119.26 117.51 3kl2 h ALA 214 Ca 0.22 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 3kl2 h ALA 214 Cb 0.26 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3kl2 h ALA 214 CO -0.26 -0.02 -0.07 0.82 0.00 0.00 0.00 179.25 179.72 3kl2 h ILE 215 N 0.61 1.27 0.03 0.00 2.04 -0.85 -2.09 117.51 118.51 3kl2 h ILE 215 Ca 0.31 -1.22 -0.10 0.00 1.00 0.00 0.00 64.86 64.84 3kl2 h ILE 215 Cb 0.25 0.92 0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3kl2 h ILE 215 CO -0.22 0.44 -0.41 0.28 0.00 0.00 0.00 178.15 178.24 3kl2 h SER 216 N 0.92 0.32 0.06 1.72 0.02 -0.92 -3.34 113.55 112.32 3kl2 h SER 216 Ca 0.15 -0.83 -0.37 0.00 -0.84 0.00 0.00 61.79 59.90 3kl2 h SER 216 Cb 0.63 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.03 3kl2 h SER 216 CO 0.04 1.11 -2.20 -1.22 -1.14 0.00 0.00 176.83 173.43 3kl2 n TYR 217 N -4.38 0.63 -0.05 3.45 4.01 -0.67 -4.64 117.16 115.52 3kl2 n TYR 217 Ca -0.11 0.15 -0.20 0.00 -0.16 0.00 0.00 57.90 57.58 3kl2 n TYR 217 Cb 0.60 -1.08 -0.13 0.00 -0.31 0.00 0.00 39.34 38.42 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 -3.49 2.07 -0.17 7.72 8.00 -0.88 -4.37 116.55 125.43 3kl2 n ASP 218 Ca -0.39 0.10 -0.08 0.00 0.71 0.00 0.00 54.79 55.12 3kl2 n ASP 218 Cb 0.99 -0.71 0.01 0.00 -0.02 0.00 0.00 41.12 41.40 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 0.00 0.72 0.00 1.24 0.05 -1.52 -2.00 116.94 115.43 3kl2 h PHE 219 Ca -0.48 -0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.27 3kl2 h PHE 219 Cb 1.96 -0.22 -0.00 0.00 2.00 0.00 0.00 35.95 39.69 3kl2 h PHE 219 CO 0.06 0.56 -0.02 -1.35 -0.18 0.00 0.00 178.31 177.38 3kl2 h PRO 220 N 0.66 0.00 0.00 1.51 0.11 -1.79 0.91 132.00 133.41 3kl2 h PRO 220 Ca 0.17 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.22 3kl2 h PRO 220 Cb 0.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 3kl2 h PRO 220 CO -0.02 0.02 -0.29 0.52 -0.21 0.00 0.00 178.00 178.02 3kl2 h MET 221 N 0.00 0.00 0.00 1.05 2.86 -1.56 -3.37 114.93 113.91 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 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 3kl2 h MET 221 CO 0.00 0.29 0.00 1.19 1.06 0.00 0.00 176.91 179.45 3kl2 n PHE 222 N -4.14 0.00 -3.91 -0.22 3.72 -0.44 -5.09 117.46 107.37 3kl2 n PHE 222 Ca -0.02 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.29 3kl2 n PHE 222 Cb 0.34 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.86 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 -0.11 0.06 -0.45 4.37 1.04 0.19 -4.58 113.70 114.21 3kl2 s SER 223 Ca 0.00 -1.00 -0.12 0.00 0.48 0.00 0.00 55.95 55.31 3kl2 s SER 223 Cb 0.00 0.73 0.08 0.00 0.10 0.00 0.00 66.02 66.92 3kl2 s SER 223 CO 0.00 -1.40 0.34 -0.69 0.98 0.00 0.00 173.24 172.46 3kl2 s VAL 224 N -3.28 4.74 0.12 5.02 1.01 0.82 -4.48 120.40 124.34 3kl2 s VAL 224 Ca 0.18 -1.26 -0.31 0.00 0.00 0.00 0.00 61.98 60.60 3kl2 s VAL 224 Cb -0.04 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 3kl2 s VAL 224 CO 0.11 -0.56 1.27 -2.16 0.00 0.00 0.00 175.10 173.75 3kl2 s PRO 225 N 1.53 4.41 0.04 2.72 0.05 -1.26 -2.38 135.00 140.11 3kl2 s PRO 225 Ca 0.04 1.91 0.01 0.00 0.05 0.00 0.00 61.00 63.01 3kl2 s PRO 225 Cb -0.24 -3.28 -0.03 0.00 0.05 0.00 0.00 34.50 31.01 3kl2 s PRO 225 CO 0.04 -0.27 -0.05 -1.64 0.05 0.00 0.00 177.00 175.13 3kl2 s MET 226 N 0.64 0.51 0.52 4.56 -1.94 -0.15 -4.93 119.30 118.50 3kl2 s MET 226 Ca 0.59 -0.88 -0.10 0.00 -1.71 0.00 0.00 55.69 53.60 3kl2 s MET 226 Cb -0.33 -0.03 -0.05 0.00 2.01 0.00 0.00 34.83 36.43 3kl2 s MET 226 CO 0.32 -0.03 0.90 0.95 -0.01 0.00 0.00 175.02 177.15 3kl2 s THR 227 N -2.22 4.77 0.26 2.05 -4.23 -1.26 -1.17 115.64 113.83 3kl2 s THR 227 Ca -0.06 0.64 -0.03 0.00 -1.18 0.00 0.00 61.69 61.07 3kl2 s THR 227 Cb -0.04 -3.83 0.23 0.00 1.34 0.00 0.00 72.50 70.20 3kl2 s THR 227 CO -0.03 -0.88 1.81 0.77 -0.54 0.00 0.00 174.62 175.75 3kl2 h SER 228 N 0.28 0.73 -0.60 3.99 4.64 -1.93 -2.48 113.55 118.19 3kl2 h SER 228 Ca -0.46 0.05 0.05 0.00 -0.47 0.00 0.00 61.79 60.97 3kl2 h SER 228 Cb 1.19 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 63.14 3kl2 h SER 228 CO 0.62 0.41 0.32 0.00 -0.87 0.00 0.00 176.83 177.30 3kl2 h ALA 229 N 1.48 0.79 0.00 5.18 0.00 -1.95 0.12 119.26 124.87 3kl2 h ALA 229 Ca 0.43 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.26 3kl2 h ALA 229 Cb 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3kl2 h ALA 229 CO -0.26 -0.02 -0.49 -0.44 0.00 0.00 0.00 179.25 178.04 3kl2 h ASP 230 N 0.59 0.00 0.07 0.00 3.32 -1.87 0.37 116.42 118.91 3kl2 h ASP 230 Ca 0.27 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.04 3kl2 h ASP 230 Cb 0.17 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.75 3kl2 h ASP 230 CO -0.18 0.49 -1.14 0.58 -1.72 0.00 0.00 179.24 177.27 3kl2 h VAL 231 N 0.00 1.29 0.07 -1.35 2.07 -1.01 -1.56 116.25 115.76 3kl2 h VAL 231 Ca -0.00 -2.36 0.02 0.00 0.82 0.00 0.00 66.70 65.17 3kl2 h VAL 231 Cb 1.05 2.57 -0.03 0.00 -1.52 0.00 0.00 31.29 33.36 3kl2 h VAL 231 CO 0.06 0.72 -0.17 0.40 0.02 0.00 0.00 177.57 178.61 3kl2 h ILE 232 N 0.30 0.61 -0.83 4.57 2.04 -0.53 0.90 117.51 124.57 3kl2 h ILE 232 Ca -0.16 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.85 3kl2 h ILE 232 Cb 1.81 0.61 -0.10 0.00 -0.74 0.00 0.00 36.82 38.40 3kl2 h ILE 232 CO 0.22 0.00 0.39 0.00 0.00 0.00 0.00 178.15 178.76 3kl2 h ALA 233 N 0.56 1.24 0.00 1.87 0.00 -0.89 0.12 119.26 122.15 3kl2 h ALA 233 Ca 0.03 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3kl2 h ALA 233 Cb 0.35 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3kl2 h ALA 233 CO -0.11 -0.16 -0.48 0.00 0.00 0.00 0.00 179.25 178.50 3kl2 h ALA 234 N 1.58 1.06 -0.14 0.00 0.00 -0.80 -3.09 119.26 117.87 3kl2 h ALA 234 Ca 0.46 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 3kl2 h ALA 234 Cb 0.70 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.42 3kl2 h ALA 234 CO -0.40 0.60 -0.49 -0.07 0.00 0.00 0.00 179.25 178.89 3kl2 h LEU 235 N 0.00 0.67 0.00 0.00 3.38 0.16 -3.39 115.31 116.14 3kl2 h LEU 235 Ca -0.00 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.35 3kl2 h LEU 235 Cb 0.93 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3kl2 h LEU 235 CO 0.06 1.17 0.00 -0.62 0.09 0.00 0.00 178.44 179.14