#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kl2 s LEU 38 N 0.00 1.45 -0.33 -1.84 1.43 -1.26 -5.11 118.68 113.02 3kl2 s LEU 38 Ca 0.00 -0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 52.52 3kl2 s LEU 38 Cb 0.00 -0.95 -0.00 0.00 0.03 0.00 0.00 46.19 45.27 3kl2 s LEU 38 CO 0.00 -0.06 0.72 -0.62 0.23 0.00 0.00 176.35 176.62 3kl2 s ASP 39 N 1.36 6.56 0.42 2.29 3.68 -1.26 -4.95 116.67 124.76 3kl2 s ASP 39 Ca -0.00 0.45 0.11 0.00 2.13 0.00 0.00 52.55 55.24 3kl2 s ASP 39 Cb -0.14 -2.37 0.90 0.00 -1.45 0.00 0.00 42.92 39.86 3kl2 s ASP 39 CO -0.06 -0.60 1.98 -0.65 0.13 0.00 0.00 175.17 175.98 3kl2 h PRO 40 N 8.26 0.21 0.00 4.34 0.11 -1.93 -1.75 132.00 141.24 3kl2 h PRO 40 Ca -0.25 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3kl2 h PRO 40 Cb 1.10 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kl2 h PRO 40 CO 0.86 0.29 0.00 0.00 -0.21 0.00 0.00 178.00 178.94 3kl2 n ALA 41 N -2.50 2.02 -1.69 -0.75 0.00 -1.26 -3.47 120.51 112.86 3kl2 n ALA 41 Ca -0.01 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.38 3kl2 n ALA 41 Cb 0.21 -1.31 0.05 0.00 0.00 0.00 0.00 19.45 18.41 3kl2 n ALA 41 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3kl2 n ARG 42 N -1.27 0.47 -4.25 0.00 1.85 -0.67 -4.65 116.66 108.13 3kl2 n ARG 42 Ca 0.09 -1.61 -0.18 0.00 -1.00 0.00 0.00 57.85 55.15 3kl2 n ARG 42 Cb 0.15 -0.85 -0.13 0.00 -1.05 0.00 0.00 32.46 30.58 3kl2 n ARG 42 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3kl2 s THR 43 N -1.05 0.91 0.02 8.89 2.01 -1.12 -0.86 115.64 124.43 3kl2 s THR 43 Ca 0.13 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.17 3kl2 s THR 43 Cb 0.11 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.75 3kl2 s THR 43 CO 0.00 -0.09 -0.03 0.00 -0.69 0.00 0.00 174.62 173.82 3kl2 s ALA 44 N -0.92 0.16 -0.20 7.40 0.00 -0.35 -4.16 121.76 123.69 3kl2 s ALA 44 Ca -0.01 -0.48 -0.16 0.00 0.00 0.00 0.00 51.96 51.31 3kl2 s ALA 44 Cb -0.08 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 3kl2 s ALA 44 CO 0.01 -0.11 0.40 0.42 0.00 0.00 0.00 175.76 176.48 3kl2 s ILE 45 N -1.13 5.20 -0.19 0.00 -1.09 -0.93 -0.72 121.20 122.34 3kl2 s ILE 45 Ca -0.12 0.71 0.00 0.00 -2.23 0.00 0.00 60.65 59.01 3kl2 s ILE 45 Cb -0.08 -3.73 0.01 0.00 -1.58 0.00 0.00 42.46 37.09 3kl2 s ILE 45 CO -0.01 0.25 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.09 3kl2 s VAL 46 N 1.32 2.32 -0.33 2.92 1.01 0.15 -1.30 120.40 126.49 3kl2 s VAL 46 Ca 0.19 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 3kl2 s VAL 46 Cb -0.15 -1.99 0.05 0.00 0.00 0.00 0.00 36.38 34.29 3kl2 s VAL 46 CO 0.08 0.52 0.08 -0.76 0.00 0.00 0.00 175.10 175.02 3kl2 s LEU 47 N 1.33 4.26 -0.36 3.92 1.43 0.16 -1.97 118.68 127.44 3kl2 s LEU 47 Ca 0.05 -1.22 -0.20 0.00 -1.03 0.00 0.00 54.13 51.73 3kl2 s LEU 47 Cb -0.13 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.26 3kl2 s LEU 47 CO -0.11 -0.32 0.64 -0.63 0.23 0.00 0.00 176.35 176.16 3kl2 s ILE 48 N 1.35 4.89 -1.28 -0.59 1.01 -0.34 -0.15 121.20 126.09 3kl2 s ILE 48 Ca -0.02 0.58 -0.04 0.00 0.00 0.00 0.00 60.65 61.17 3kl2 s ILE 48 Cb -0.20 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.20 3kl2 s ILE 48 CO 0.01 -0.32 0.51 -0.62 0.00 0.00 0.00 174.94 174.52 3kl2 n GLU 49 N 6.05 -4.08 -1.11 2.79 1.02 -0.49 -1.69 120.64 123.13 3kl2 n GLU 49 Ca -0.01 0.75 -0.36 0.00 -0.02 0.00 0.00 57.16 57.52 3kl2 n GLU 49 Cb 0.49 -5.28 -0.04 0.00 -0.02 0.00 0.00 31.44 26.59 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 -4.30 1.97 -4.46 -0.32 4.01 -1.26 -4.68 117.16 108.11 3kl2 n TYR 50 Ca -0.09 -2.08 -0.30 0.00 -0.16 0.00 0.00 57.90 55.27 3kl2 n TYR 50 Cb 0.60 -1.85 -0.12 0.00 -0.31 0.00 0.00 39.34 37.66 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 4.13 1.90 0.41 -0.72 -0.21 -1.26 -1.57 119.66 122.34 3kl2 s GLN 51 Ca 0.51 -1.10 0.19 0.00 0.02 0.00 0.00 55.36 54.98 3kl2 s GLN 51 Cb 0.13 -2.14 1.11 0.00 1.00 0.00 0.00 33.01 33.11 3kl2 s GLN 51 CO 0.03 0.51 1.80 -0.91 -2.12 0.00 0.00 175.29 174.60 3kl2 h ASN 52 N 4.08 0.42 -0.70 5.90 2.35 -0.49 0.22 115.58 127.36 3kl2 h ASN 52 Ca -0.49 0.07 0.20 0.00 -0.55 0.00 0.00 56.30 55.53 3kl2 h ASN 52 Cb 1.16 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.50 3kl2 h ASN 52 CO 0.47 0.11 0.51 -0.08 -1.65 0.00 0.00 177.43 176.78 3kl2 h GLU 53 N 0.39 0.00 0.01 0.81 4.57 -1.33 -0.18 114.58 118.85 3kl2 h GLU 53 Ca 0.56 0.00 -0.41 0.00 -1.18 0.00 0.00 59.36 58.33 3kl2 h GLU 53 Cb 1.43 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.95 3kl2 h GLU 53 CO -0.25 0.00 -2.29 1.19 -1.18 0.00 0.00 179.01 176.48 3kl2 n PHE 54 N -4.32 0.25 0.09 0.92 3.72 0.66 -1.33 117.46 117.44 3kl2 n PHE 54 Ca 0.14 0.09 -0.02 0.00 -0.05 0.00 0.00 57.45 57.61 3kl2 n PHE 54 Cb 0.78 -1.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.24 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 -0.74 1.12 -4.36 4.37 1.35 -0.64 -3.34 112.91 110.67 3kl2 h THR 55 Ca -0.61 -2.65 -0.70 0.00 -0.55 0.00 0.00 66.41 61.91 3kl2 h THR 55 Cb 1.65 2.53 -0.27 0.00 -1.73 0.00 0.00 68.15 70.33 3kl2 h THR 55 CO -0.29 0.64 -0.85 -0.44 -0.25 0.00 0.00 175.52 174.32 3kl2 s SER 56 N -6.46 3.35 0.00 5.36 0.01 -0.13 -5.01 113.70 110.82 3kl2 s SER 56 Ca 0.02 -0.44 -0.38 0.00 1.31 0.00 0.00 55.95 56.46 3kl2 s SER 56 Cb 0.09 -0.46 -0.17 0.00 0.21 0.00 0.00 66.02 65.69 3kl2 s SER 56 CO 0.78 0.30 1.39 0.47 0.41 0.00 0.00 173.24 176.59 3kl2 n ASP 57 N 2.17 1.59 0.00 2.44 8.00 -1.26 -0.62 116.55 128.86 3kl2 n ASP 57 Ca -0.16 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.45 3kl2 n ASP 57 Cb 0.52 -1.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.47 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 2.73 2.97 3.63 0.44 0.00 -1.26 -5.05 105.19 108.64 3kl2 n GLY 58 Ca 0.20 -0.54 -0.54 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 0.59 0.37 -0.02 0.00 0.21 -4.86 105.19 101.47 3kl2 n GLY 59 Ca 0.00 0.78 0.25 0.00 0.00 0.00 0.00 46.02 47.05 3kl2 n GLY 59 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kl2 h VAL 60 N 3.99 0.33 -0.26 1.61 2.07 -1.86 -0.83 116.25 121.30 3kl2 h VAL 60 Ca -0.47 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3kl2 h VAL 60 Cb 1.33 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3kl2 h VAL 60 CO 0.84 0.06 0.00 0.18 0.02 0.00 0.00 177.57 178.67 3kl2 n LEU 61 N -4.91 2.68 -0.10 2.57 4.77 -0.44 -4.58 117.00 116.98 3kl2 n LEU 61 Ca 0.31 -1.91 -0.11 0.00 -0.03 0.00 0.00 56.01 54.27 3kl2 n LEU 61 Cb 1.01 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.95 3kl2 n LEU 61 CO 0.14 0.66 0.60 -0.74 -1.33 0.00 0.00 177.39 176.73 3kl2 h HIS 62 N 1.69 1.00 -0.88 -1.77 2.76 -0.49 -2.87 115.15 114.58 3kl2 h HIS 62 Ca 0.00 -0.28 0.17 0.00 -2.20 0.00 0.00 60.37 58.07 3kl2 h HIS 62 Cb 0.66 -0.22 -0.10 0.00 1.55 0.00 0.00 27.41 29.30 3kl2 h HIS 62 CO 0.17 1.06 0.45 0.78 -1.30 0.00 0.00 177.93 179.10 3kl2 h GLY 63 N 0.89 1.48 2.00 5.26 0.00 -1.81 -0.40 103.07 110.49 3kl2 h GLY 63 Ca 0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 3kl2 h GLY 63 CO 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 176.54 176.51 3kl2 h ALA 64 N 1.61 1.00 -0.01 3.60 0.00 -1.83 -3.24 119.26 120.39 3kl2 h ALA 64 Ca 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3kl2 h ALA 64 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3kl2 h ALA 64 CO -0.41 0.02 -0.21 1.33 0.00 0.00 0.00 179.25 179.98 3kl2 n VAL 65 N -3.11 0.00 -0.23 0.00 0.24 -0.93 -4.26 118.33 110.05 3kl2 n VAL 65 Ca 0.02 -0.39 0.02 0.00 -2.04 0.00 0.00 64.34 61.95 3kl2 n VAL 65 Cb 0.40 1.13 0.14 0.00 -1.47 0.00 0.00 33.84 34.04 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 1.86 0.91 0.30 2.33 0.00 -1.11 -0.76 119.26 122.78 3kl2 h ALA 66 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kl2 h ALA 66 Cb 0.36 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kl2 h ALA 66 CO 0.00 -0.19 -0.14 -0.44 0.00 0.00 0.00 179.25 178.48 3kl2 h ASP 67 N 0.43 -0.34 -0.30 0.00 3.32 -1.84 -0.23 116.42 117.46 3kl2 h ASP 67 Ca 0.35 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.31 3kl2 h ASP 67 Cb 0.48 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 3kl2 h ASP 67 CO -0.35 -0.24 -0.18 0.58 -1.72 0.00 0.00 179.24 177.33 3kl2 h VAL 68 N -0.40 1.27 -0.45 -1.35 2.07 -1.77 -0.01 116.25 115.59 3kl2 h VAL 68 Ca -0.04 -1.26 0.08 0.00 0.82 0.00 0.00 66.70 66.30 3kl2 h VAL 68 Cb 0.31 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 3kl2 h VAL 68 CO 0.07 0.42 -0.00 0.24 0.02 0.00 0.00 177.57 178.32 3kl2 h MET 69 N 0.68 0.11 0.25 1.57 2.86 -0.81 -1.39 114.93 118.19 3kl2 h MET 69 Ca 0.10 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3kl2 h MET 69 Cb 0.67 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.31 3kl2 h MET 69 CO 0.05 0.07 -0.12 0.37 1.06 0.00 0.00 176.91 178.34 3kl2 h GLN 70 N 0.11 -0.32 -0.00 1.72 4.15 -0.55 -0.39 115.11 119.83 3kl2 h GLN 70 Ca 0.22 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.67 3kl2 h GLN 70 Cb 0.33 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 3kl2 h GLN 70 CO -0.38 -0.09 -0.00 0.45 -1.93 0.00 0.00 178.83 176.89 3kl2 h HIS 71 N -0.52 0.00 0.00 3.99 3.86 -0.77 -2.86 115.15 118.85 3kl2 h HIS 71 Ca -0.03 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.93 3kl2 h HIS 71 Cb 0.39 -0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.81 3kl2 h HIS 71 CO -0.01 0.00 -1.96 0.25 0.86 0.00 0.00 177.93 177.08 3kl2 n THR 72 N -4.54 1.13 -2.25 2.45 -2.24 -0.55 -4.98 114.28 103.31 3kl2 n THR 72 Ca -0.03 -0.74 -0.07 0.00 -2.27 0.00 0.00 64.05 60.94 3kl2 n THR 72 Cb 0.09 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 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 1.54 0.16 0.34 3.38 0.00 -0.16 -4.90 105.19 105.54 3kl2 n GLY 73 Ca -0.19 -0.57 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.14 0.97 0.13 1.61 -0.00 -1.66 -1.54 114.93 114.30 3kl2 h MET 74 Ca -0.16 -0.09 -0.01 0.00 -0.00 0.00 0.00 59.70 59.44 3kl2 h MET 74 Cb 1.12 -0.20 0.00 0.00 -0.00 0.00 0.00 31.60 32.52 3kl2 h MET 74 CO 0.19 0.69 -0.06 1.25 -0.00 0.00 0.00 176.91 178.98 3kl2 h LEU 75 N 0.99 -0.15 -0.61 -0.10 5.85 -1.87 -0.39 115.31 119.03 3kl2 h LEU 75 Ca 0.26 -0.19 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 3kl2 h LEU 75 Cb -0.01 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3kl2 h LEU 75 CO -0.05 0.11 -0.09 0.00 -0.34 0.00 0.00 178.44 178.07 3kl2 h ALA 76 N 0.43 0.81 -0.80 1.25 0.00 -1.88 -1.72 119.26 117.34 3kl2 h ALA 76 Ca -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3kl2 h ALA 76 Cb 0.33 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3kl2 h ALA 76 CO 0.03 0.66 0.48 -0.91 0.00 0.00 0.00 179.25 179.51 3kl2 h ASN 77 N 0.89 0.97 -0.16 0.00 2.35 -1.21 -1.31 115.58 117.12 3kl2 h ASN 77 Ca 0.14 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3kl2 h ASN 77 Cb 0.65 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3kl2 h ASN 77 CO 0.04 0.76 0.06 0.74 -1.65 0.00 0.00 177.43 177.38 3kl2 h THR 78 N 1.10 1.16 -0.71 2.81 2.02 -0.82 0.87 112.91 119.35 3kl2 h THR 78 Ca 0.29 -0.50 0.14 0.00 0.77 0.00 0.00 66.41 67.11 3kl2 h THR 78 Cb -0.03 1.20 -0.10 0.00 -1.74 0.00 0.00 68.15 67.49 3kl2 h THR 78 CO -0.05 0.15 0.22 0.58 0.37 0.00 0.00 175.52 176.79 3kl2 h VAL 79 N 0.09 0.60 -0.06 3.16 2.07 -1.02 0.21 116.25 121.31 3kl2 h VAL 79 Ca 0.05 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3kl2 h VAL 79 Cb 0.19 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3kl2 h VAL 79 CO -0.00 0.06 0.03 0.00 0.02 0.00 0.00 177.57 177.68 3kl2 h ALA 80 N 1.55 0.08 -0.11 1.67 0.00 -0.74 -0.82 119.26 120.89 3kl2 h ALA 80 Ca 0.39 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.28 3kl2 h ALA 80 Cb 0.62 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3kl2 h ALA 80 CO -0.44 -0.37 -0.13 0.28 0.00 0.00 0.00 179.25 178.59 3kl2 h VAL 81 N -0.01 0.66 -0.66 0.00 2.07 -0.09 -1.42 116.25 116.78 3kl2 h VAL 81 Ca 0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.59 3kl2 h VAL 81 Cb 0.10 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 3kl2 h VAL 81 CO -0.00 0.00 0.39 0.58 0.02 0.00 0.00 177.57 178.56 3kl2 h VAL 82 N -0.16 1.02 -0.87 2.57 2.07 -0.45 0.45 116.25 120.87 3kl2 h VAL 82 Ca 0.08 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.37 3kl2 h VAL 82 Cb 0.28 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 3kl2 h VAL 82 CO -0.20 0.13 0.57 0.44 0.02 0.00 0.00 177.57 178.53 3kl2 h ASP 83 N 0.74 0.95 -0.38 0.57 3.32 -0.93 0.43 116.42 121.11 3kl2 h ASP 83 Ca 0.28 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.23 3kl2 h ASP 83 Cb 0.11 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3kl2 h ASP 83 CO -0.15 0.67 -0.14 0.00 -1.72 0.00 0.00 179.24 177.90 3kl2 h ALA 84 N 1.35 0.53 -0.62 3.45 0.00 -0.61 -2.19 119.26 121.17 3kl2 h ALA 84 Ca 0.34 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3kl2 h ALA 84 Cb -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3kl2 h ALA 84 CO -0.10 0.44 0.38 0.00 0.00 0.00 0.00 179.25 179.96 3kl2 h ALA 85 N 0.82 0.81 -0.19 0.00 0.00 -0.65 -1.39 119.26 118.66 3kl2 h ALA 85 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kl2 h ALA 85 Cb 0.68 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3kl2 h ALA 85 CO 0.05 0.12 0.11 0.00 0.00 0.00 0.00 179.25 179.52 3kl2 h ARG 86 N 0.74 0.26 -0.93 0.00 3.08 -0.74 -0.85 114.38 115.94 3kl2 h ARG 86 Ca 0.25 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.39 3kl2 h ARG 86 Cb 0.03 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 29.95 3kl2 h ARG 86 CO -0.11 0.24 0.56 1.96 -1.07 0.00 0.00 179.97 181.55 3kl2 h GLN 87 N 0.21 0.87 0.00 0.04 1.08 -1.17 -2.39 115.11 113.75 3kl2 h GLN 87 Ca 0.07 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3kl2 h GLN 87 Cb 0.05 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.28 3kl2 h GLN 87 CO -0.01 0.57 0.00 0.00 -0.95 0.00 0.00 178.83 178.44 3kl2 h ALA 88 N 1.52 1.00 0.00 3.87 0.00 -0.74 -3.47 119.26 121.44 3kl2 h ALA 88 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3kl2 h ALA 88 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3kl2 h ALA 88 CO -0.27 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.39 3kl2 n GLY 89 N 0.93 0.90 3.66 0.00 0.00 -0.69 -4.92 105.19 105.08 3kl2 n GLY 89 Ca 0.04 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 5.07 0.42 1.61 1.01 -0.41 -4.88 120.40 121.22 3kl2 s VAL 90 Ca 0.00 1.08 -0.26 0.00 0.00 0.00 0.00 61.98 62.80 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 0.15 1.38 -2.16 0.00 0.00 0.00 175.10 174.47 3kl2 s PRO 91 N 1.72 3.87 -0.17 2.72 0.04 -1.26 -4.35 135.00 137.57 3kl2 s PRO 91 Ca 0.27 2.32 -0.05 0.00 0.04 0.00 0.00 61.00 63.58 3kl2 s PRO 91 Cb -0.16 -2.74 -0.03 0.00 0.04 0.00 0.00 34.50 31.61 3kl2 s PRO 91 CO 0.10 -0.63 -0.01 0.42 0.04 0.00 0.00 177.00 176.92 3kl2 s ILE 92 N -1.22 4.06 -0.18 0.56 -1.09 -1.26 -2.18 121.20 119.89 3kl2 s ILE 92 Ca 0.58 -0.29 -0.01 0.00 -2.23 0.00 0.00 60.65 58.70 3kl2 s ILE 92 Cb -0.41 -2.80 0.05 0.00 -1.58 0.00 0.00 42.46 37.71 3kl2 s ILE 92 CO 0.54 0.47 -0.04 -0.04 -1.23 0.00 0.00 174.94 174.64 3kl2 s MET 93 N 0.51 1.38 0.01 2.79 -1.94 -0.42 -1.02 119.30 120.62 3kl2 s MET 93 Ca -0.02 -0.61 -0.13 0.00 -1.71 0.00 0.00 55.69 53.22 3kl2 s MET 93 Cb -0.14 -2.15 -0.06 0.00 2.01 0.00 0.00 34.83 34.50 3kl2 s MET 93 CO 0.02 -0.49 0.39 -1.01 -0.01 0.00 0.00 175.02 173.92 3kl2 s HIS 94 N 1.61 3.69 -0.55 -0.03 3.76 -0.80 -0.67 115.29 122.29 3kl2 s HIS 94 Ca -0.01 0.92 0.04 0.00 -0.15 0.00 0.00 55.06 55.86 3kl2 s HIS 94 Cb -0.16 -2.24 0.15 0.00 1.11 0.00 0.00 32.58 31.44 3kl2 s HIS 94 CO -0.07 0.62 0.34 0.00 -0.85 0.00 0.00 174.74 174.77 3kl2 s ALA 95 N -1.16 2.99 0.45 -1.40 0.00 0.79 -1.53 121.76 121.91 3kl2 s ALA 95 Ca 0.26 -3.21 -0.19 0.00 0.00 0.00 0.00 51.96 48.82 3kl2 s ALA 95 Cb -0.16 -2.04 -0.10 0.00 0.00 0.00 0.00 23.12 20.83 3kl2 s ALA 95 CO 0.14 -2.05 0.94 -1.25 0.00 0.00 0.00 175.76 173.53 3kl2 s PRO 96 N -0.47 4.10 -0.15 0.00 0.04 -1.26 -1.39 135.00 135.86 3kl2 s PRO 96 Ca 0.21 1.00 -0.05 0.00 0.04 0.00 0.00 61.00 62.20 3kl2 s PRO 96 Cb -0.16 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 3kl2 s PRO 96 CO -0.07 -0.10 0.02 -1.50 0.04 0.00 0.00 177.00 175.39 3kl2 s ILE 97 N -2.32 4.40 0.06 0.56 2.07 -1.26 -4.41 121.20 120.30 3kl2 s ILE 97 Ca 0.60 -0.18 -0.02 0.00 -1.41 0.00 0.00 60.65 59.64 3kl2 s ILE 97 Cb -0.09 -2.93 -0.04 0.00 0.13 0.00 0.00 42.46 39.53 3kl2 s ILE 97 CO 0.20 0.52 0.00 0.42 -1.91 0.00 0.00 174.94 174.17 3kl2 s THR 98 N -0.03 0.20 -0.06 4.00 -4.23 -1.20 -4.84 115.64 109.49 3kl2 s THR 98 Ca 0.04 -1.77 -0.05 0.00 -1.18 0.00 0.00 61.69 58.73 3kl2 s THR 98 Cb -0.13 -1.57 0.02 0.00 1.34 0.00 0.00 72.50 72.16 3kl2 s THR 98 CO 0.02 -0.90 0.15 -0.36 -0.54 0.00 0.00 174.62 172.99 3kl2 s PHE 99 N -3.93 -0.17 0.43 3.99 0.08 -0.55 -4.69 117.98 113.13 3kl2 s PHE 99 Ca 0.09 0.43 -0.26 0.00 0.12 0.00 0.00 56.93 57.31 3kl2 s PHE 99 Cb 0.08 0.03 -0.09 0.00 -0.57 0.00 0.00 43.02 42.47 3kl2 s PHE 99 CO -0.09 -0.10 1.44 0.00 -0.10 0.00 0.00 175.22 176.38 3kl2 s ALA 100 N 0.33 3.34 0.26 5.36 0.00 -1.26 -0.56 121.76 129.23 3kl2 s ALA 100 Ca -0.02 1.50 -0.31 0.00 0.00 0.00 0.00 51.96 53.13 3kl2 s ALA 100 Cb -0.03 -3.60 -0.12 0.00 0.00 0.00 0.00 23.12 19.37 3kl2 s ALA 100 CO -0.01 -1.15 1.56 -1.91 0.00 0.00 0.00 175.76 174.25 3kl2 n GLU 101 N 0.01 2.51 -0.01 0.00 2.13 -1.26 -1.97 120.64 122.04 3kl2 n GLU 101 Ca 0.04 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.75 3kl2 n GLU 101 Cb 0.41 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.47 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 2.42 0.33 2.35 8.31 0.00 -1.26 -4.60 105.19 112.75 3kl2 n GLY 102 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.82 0.30 1.61 4.01 -0.83 -4.86 117.16 114.56 3kl2 n TYR 103 Ca 0.00 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.93 3kl2 n TYR 103 Cb 0.00 -3.16 0.88 0.00 -0.31 0.00 0.00 39.34 36.74 3kl2 n TYR 103 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3kl2 h GLY 104 N 0.00 0.00 2.00 2.72 0.00 -1.81 -1.71 103.07 104.27 3kl2 h GLY 104 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3kl2 h GLY 104 CO 0.47 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.19 3kl2 n GLU 105 N -3.15 0.02 -4.61 4.80 1.02 -1.26 -4.80 120.64 112.66 3kl2 n GLU 105 Ca -0.01 0.39 -0.28 0.00 -0.02 0.00 0.00 57.16 57.24 3kl2 n GLU 105 Cb 0.22 -1.56 -0.11 0.00 -0.02 0.00 0.00 31.44 29.97 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 -3.20 2.87 0.36 -4.62 1.43 -0.64 -5.11 118.68 109.77 3kl2 s LEU 106 Ca 0.03 -1.35 -0.27 0.00 -1.03 0.00 0.00 54.13 51.51 3kl2 s LEU 106 Cb 0.05 -0.92 -0.12 0.00 0.03 0.00 0.00 46.19 45.24 3kl2 s LEU 106 CO 0.16 -0.43 1.28 1.07 0.23 0.00 0.00 176.35 178.66 3kl2 n THR 107 N -0.96 2.15 0.94 5.49 5.66 -1.26 -4.88 114.28 121.43 3kl2 n THR 107 Ca -0.05 -0.50 0.09 0.00 -3.05 0.00 0.00 64.05 60.54 3kl2 n THR 107 Cb 0.67 -1.56 0.49 0.00 -1.55 0.00 0.00 70.33 68.37 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 0.41 0.32 -3.16 1.09 0.00 -1.26 -3.92 116.66 110.14 3kl2 n ARG 108 Ca 0.05 0.09 -0.21 0.00 -0.00 0.00 0.00 57.85 57.78 3kl2 n ARG 108 Cb 0.37 -1.50 -0.04 0.00 -0.00 0.00 0.00 32.46 31.29 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 -1.24 0.93 -1.57 2.89 8.25 -1.26 -5.12 115.22 118.10 3kl2 n HIS 109 Ca 0.10 -3.82 -0.33 0.00 -0.26 0.00 0.00 57.72 53.41 3kl2 n HIS 109 Cb 0.13 -0.43 0.07 0.00 1.12 0.00 0.00 29.99 30.89 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 -2.34 2.53 0.31 -0.41 0.04 -1.25 -5.07 135.00 128.80 3kl2 s PRO 110 Ca 0.40 1.41 0.03 0.00 0.04 0.00 0.00 61.00 62.88 3kl2 s PRO 110 Cb 0.29 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.86 3kl2 s PRO 110 CO -0.09 -1.47 0.09 1.52 0.04 0.00 0.00 177.00 177.09 3kl2 s TYR 111 N -2.40 1.75 0.00 0.56 1.13 -1.26 -4.71 117.35 112.42 3kl2 s TYR 111 Ca 0.67 -1.12 0.00 0.00 -1.41 0.00 0.00 57.07 55.21 3kl2 s TYR 111 Cb -0.21 -1.09 0.00 0.00 -1.10 0.00 0.00 41.96 39.56 3kl2 s TYR 111 CO 0.45 -0.20 0.00 0.41 -2.51 0.00 0.00 175.55 173.70 3kl2 n GLY 112 N -0.62 0.88 0.21 5.49 0.00 -1.26 -3.96 105.19 105.92 3kl2 n GLY 112 Ca -0.02 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.72 117.51 120.49 3kl2 h ILE 113 Ca 0.00 -1.11 -0.03 0.00 -1.37 0.00 0.00 64.86 62.35 3kl2 h ILE 113 Cb 0.00 1.49 -0.00 0.00 0.47 0.00 0.00 36.82 38.77 3kl2 h ILE 113 CO 0.00 0.33 -0.15 -0.07 -3.07 0.00 0.00 178.15 175.19 3kl2 h LEU 114 N 0.13 0.00 -1.59 2.19 3.38 -1.98 -1.85 115.31 115.59 3kl2 h LEU 114 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3kl2 h LEU 114 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3kl2 h LEU 114 CO 0.04 0.15 0.15 0.50 0.09 0.00 0.00 178.44 179.37 3kl2 h LYS 115 N 0.00 0.42 -0.07 1.13 3.64 -1.43 -1.67 116.57 118.60 3kl2 h LYS 115 Ca -0.00 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.16 3kl2 h LYS 115 Cb 0.52 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3kl2 h LYS 115 CO 0.02 0.33 -0.72 0.78 -2.27 0.00 0.00 179.45 177.59 3kl2 h GLY 116 N 0.52 0.39 1.00 5.01 0.00 -1.46 -1.39 103.07 107.14 3kl2 h GLY 116 Ca 0.11 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 3kl2 h GLY 116 CO -0.02 0.48 0.19 -2.08 0.00 0.00 0.00 176.54 175.12 3kl2 h VAL 117 N 0.24 1.24 -0.06 4.60 2.07 -1.35 -0.98 116.25 122.01 3kl2 h VAL 117 Ca -0.03 -0.79 -0.08 0.00 0.82 0.00 0.00 66.70 66.62 3kl2 h VAL 117 Cb 1.28 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3kl2 h VAL 117 CO 0.12 0.30 -0.29 0.58 0.02 0.00 0.00 177.57 178.30 3kl2 h VAL 118 N 0.81 1.44 0.00 2.57 2.07 -1.29 -2.33 116.25 119.51 3kl2 h VAL 118 Ca 0.19 -1.71 -0.09 0.00 0.82 0.00 0.00 66.70 65.91 3kl2 h VAL 118 Cb 0.27 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 3kl2 h VAL 118 CO -0.01 0.49 -0.41 0.44 0.02 0.00 0.00 177.57 178.10 3kl2 h ASP 119 N -0.21 0.00 1.17 0.57 3.32 -1.30 -2.55 116.42 117.42 3kl2 h ASP 119 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3kl2 h ASP 119 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 3kl2 h ASP 119 CO 0.06 0.41 -0.02 0.61 -1.72 0.00 0.00 179.24 178.59 3kl2 n GLY 120 N -0.29 -1.57 3.53 2.75 0.00 -0.37 -4.95 105.19 104.28 3kl2 n GLY 120 Ca -0.02 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.80 -7.70 -3.93 1.61 4.76 -0.92 -4.99 118.16 105.19 3kl2 n LYS 121 Ca 0.06 0.81 -0.29 0.00 -2.87 0.00 0.00 58.31 56.02 3kl2 n LYS 121 Cb 0.38 -5.80 -0.04 0.00 -1.84 0.00 0.00 35.03 27.73 3kl2 n LYS 121 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kl2 s ALA 122 N -3.31 3.98 -1.37 7.82 0.00 -0.95 -4.51 121.76 123.42 3kl2 s ALA 122 Ca 0.53 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.58 3kl2 s ALA 122 Cb -0.23 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.08 3kl2 s ALA 122 CO 0.71 0.73 0.00 1.19 0.00 0.00 0.00 175.76 178.39 3kl2 n PHE 123 N 0.01 -0.74 -1.91 0.00 3.01 -1.26 -4.85 117.46 111.72 3kl2 n PHE 123 Ca -0.06 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.99 3kl2 n PHE 123 Cb 0.52 -3.27 -0.02 0.00 -0.01 0.00 0.00 39.48 36.70 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 -2.79 2.47 0.23 -4.37 1.01 -1.26 -1.48 120.40 114.19 3kl2 s VAL 124 Ca 0.00 0.36 -0.31 0.00 0.00 0.00 0.00 61.98 62.04 3kl2 s VAL 124 Cb 0.00 -3.23 -0.11 0.00 0.00 0.00 0.00 36.38 33.04 3kl2 s VAL 124 CO 0.00 0.05 1.56 -0.75 0.00 0.00 0.00 175.10 175.95 3kl2 s LYS 125 N 0.26 4.20 0.00 2.72 2.20 0.27 -2.30 119.74 127.09 3kl2 s LYS 125 Ca 0.65 2.43 0.00 0.00 -0.36 0.00 0.00 55.97 58.69 3kl2 s LYS 125 Cb -0.44 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 3kl2 s LYS 125 CO 0.39 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 3kl2 n GLY 126 N 2.95 2.01 3.89 5.54 0.00 -1.26 -4.81 105.19 113.52 3kl2 n GLY 126 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3kl2 n GLY 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kl2 s THR 127 N -3.18 4.22 0.36 2.61 -4.23 -0.97 -4.97 115.64 109.47 3kl2 s THR 127 Ca 0.00 0.41 0.11 0.00 -1.18 0.00 0.00 61.69 61.02 3kl2 s THR 127 Cb 0.00 -3.68 0.33 0.00 1.34 0.00 0.00 72.50 70.50 3kl2 s THR 127 CO 0.00 -0.79 1.84 -0.25 -0.54 0.00 0.00 174.62 174.88 3kl2 h TRP 128 N -0.23 0.81 -0.67 3.99 7.01 -1.97 -2.74 115.95 122.16 3kl2 h TRP 128 Ca -0.45 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 60.51 3kl2 h TRP 128 Cb 1.22 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 28.01 3kl2 h TRP 128 CO 0.56 0.24 0.19 0.78 -2.79 0.00 0.00 178.44 177.42 3kl2 h GLY 129 N 0.63 1.14 2.00 2.65 0.00 -1.93 -2.33 103.07 105.23 3kl2 h GLY 129 Ca 0.49 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3kl2 h GLY 129 CO -0.24 0.65 0.00 0.00 0.00 0.00 0.00 176.54 176.94 3kl2 n ALA 130 N -2.43 1.53 -1.96 3.60 0.00 -1.04 -0.99 120.51 119.23 3kl2 n ALA 130 Ca 0.05 0.03 -0.35 0.00 0.00 0.00 0.00 53.44 53.16 3kl2 n ALA 130 Cb 0.23 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 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 -3.16 3.28 0.33 0.00 0.00 -0.88 -4.82 121.76 116.51 3kl2 s ALA 131 Ca 0.04 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 52.01 3kl2 s ALA 131 Cb 0.08 -2.98 -0.10 0.00 0.00 0.00 0.00 23.12 20.12 3kl2 s ALA 131 CO 0.27 0.25 1.37 0.42 0.00 0.00 0.00 175.76 178.07 3kl2 s ILE 132 N -1.73 2.56 0.39 0.00 1.01 -1.26 -0.50 121.20 121.67 3kl2 s ILE 132 Ca 0.50 0.54 -0.26 0.00 0.00 0.00 0.00 60.65 61.43 3kl2 s ILE 132 Cb -0.15 -3.35 -0.09 0.00 0.01 0.00 0.00 42.46 38.88 3kl2 s ILE 132 CO 0.20 0.12 1.30 0.54 0.00 0.00 0.00 174.94 177.10 3kl2 s VAL 133 N -0.94 2.65 0.27 2.92 0.11 -0.61 -4.76 120.40 120.05 3kl2 s VAL 133 Ca 0.52 0.59 0.00 0.00 -2.93 0.00 0.00 61.98 60.16 3kl2 s VAL 133 Cb -0.42 -3.35 0.26 0.00 -1.53 0.00 0.00 36.38 31.34 3kl2 s VAL 133 CO 0.54 0.09 1.79 0.44 -3.33 0.00 0.00 175.10 174.63 3kl2 h ASP 134 N 2.79 0.72 -0.25 3.54 3.32 -1.92 0.91 116.42 125.52 3kl2 h ASP 134 Ca -0.49 0.07 0.07 0.00 0.02 0.00 0.00 57.03 56.70 3kl2 h ASP 134 Cb 1.24 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 3kl2 h ASP 134 CO 0.63 0.34 0.18 -0.33 -1.72 0.00 0.00 179.24 178.33 3kl2 h GLU 135 N 0.78 0.02 -0.15 3.56 3.07 -1.99 -2.49 114.58 117.38 3kl2 h GLU 135 Ca 0.48 -0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.27 3kl2 h GLU 135 Cb 0.61 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.47 3kl2 h GLU 135 CO -0.32 0.01 -0.26 1.28 -1.40 0.00 0.00 179.01 178.32 3kl2 n LEU 136 N -4.47 3.28 -4.73 1.33 4.77 0.27 -5.00 117.00 112.46 3kl2 n LEU 136 Ca 0.03 -3.72 -0.42 0.00 -0.03 0.00 0.00 56.01 51.86 3kl2 n LEU 136 Cb 0.32 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 3kl2 n LEU 136 CO 0.35 1.24 1.24 0.00 -1.33 0.00 0.00 177.39 178.89 3kl2 n ALA 137 N -1.12 2.39 -1.78 -1.18 0.00 -0.94 -4.80 120.51 113.08 3kl2 n ALA 137 Ca 0.24 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.66 3kl2 n ALA 137 Cb 0.83 -2.45 -0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 -0.11 4.11 0.03 0.00 0.02 -1.26 -4.99 135.00 132.79 3kl2 s PRO 138 Ca 0.67 2.57 0.02 0.00 0.02 0.00 0.00 61.00 64.29 3kl2 s PRO 138 Cb -0.52 -2.97 -0.02 0.00 0.02 0.00 0.00 34.50 31.01 3kl2 s PRO 138 CO 0.45 -0.54 -0.08 0.14 -0.33 0.00 0.00 177.00 176.64 3kl2 s VAL 139 N -1.04 0.57 0.00 3.83 -7.23 -1.26 -5.01 120.40 110.26 3kl2 s VAL 139 Ca 0.54 -0.78 0.00 0.00 -1.81 0.00 0.00 61.98 59.93 3kl2 s VAL 139 Cb -0.47 -0.57 0.00 0.00 0.56 0.00 0.00 36.38 35.90 3kl2 s VAL 139 CO 0.62 -0.16 0.00 -0.46 -0.31 0.00 0.00 175.10 174.79 3kl2 n ASN 140 N 2.02 0.00 0.00 4.85 0.23 -1.26 -1.35 115.26 119.75 3kl2 n ASN 140 Ca -0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.86 3kl2 n ASN 140 Cb 0.56 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.26 3kl2 n ASN 140 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kl2 n GLY 141 N 0.00 2.87 3.70 4.83 0.00 -1.26 -5.08 105.19 110.25 3kl2 n GLY 141 Ca 0.00 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 3kl2 n GLY 141 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kl2 n ASP 142 N 0.46 2.20 -4.77 1.61 9.92 -0.46 -4.85 116.55 120.67 3kl2 n ASP 142 Ca 0.00 0.99 -0.36 0.00 -0.53 0.00 0.00 54.79 54.89 3kl2 n ASP 142 Cb 0.00 -1.50 -0.08 0.00 -0.64 0.00 0.00 41.12 38.90 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 -1.30 4.98 -0.44 0.53 1.01 -0.19 -4.84 121.20 120.95 3kl2 s ILE 143 Ca 0.68 0.01 -0.06 0.00 0.00 0.00 0.00 60.65 61.29 3kl2 s ILE 143 Cb -0.45 -3.15 0.11 0.00 0.01 0.00 0.00 42.46 38.98 3kl2 s ILE 143 CO 0.52 0.59 0.27 -0.69 0.00 0.00 0.00 174.94 175.63 3kl2 s VAL 144 N -0.78 3.74 0.27 2.92 1.01 -1.26 -1.91 120.40 124.39 3kl2 s VAL 144 Ca 0.13 -1.92 -0.30 0.00 0.00 0.00 0.00 61.98 59.89 3kl2 s VAL 144 Cb -0.12 -3.50 -0.13 0.00 0.00 0.00 0.00 36.38 32.63 3kl2 s VAL 144 CO 0.03 -0.73 1.32 -0.38 0.00 0.00 0.00 175.10 175.34 3kl2 n ILE 145 N 4.75 1.40 -4.34 2.22 2.08 -0.58 -4.98 119.36 119.90 3kl2 n ILE 145 Ca -0.05 -0.35 -0.31 0.00 0.56 0.00 0.00 62.75 62.60 3kl2 n ILE 145 Cb 0.41 -1.43 -0.10 0.00 -0.75 0.00 0.00 39.64 37.77 3kl2 n ILE 145 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3kl2 s GLU 146 N -1.00 2.32 0.00 0.38 2.02 -1.26 -4.47 118.70 116.69 3kl2 s GLU 146 Ca 0.63 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.73 3kl2 s GLU 146 Cb -0.64 -2.39 0.00 0.00 0.10 0.00 0.00 34.13 31.20 3kl2 s GLU 146 CO 0.55 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.79 3kl2 n GLY 147 N 1.08 0.71 3.65 -1.39 0.00 -1.26 -2.98 105.19 104.99 3kl2 n GLY 147 Ca -0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.07 2.45 0.00 1.61 4.81 -1.24 -4.56 118.16 120.15 3kl2 n LYS 148 Ca 0.00 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 3kl2 n LYS 148 Cb 0.00 -2.89 0.00 0.00 0.02 0.00 0.00 35.03 32.16 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 7.42 1.38 0.00 1.64 5.12 -1.26 -3.23 116.66 127.72 3kl2 n ARG 149 Ca 0.23 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.15 3kl2 n ARG 149 Cb 0.37 -0.95 0.00 0.00 -1.16 0.00 0.00 32.46 30.72 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 2.38 5.47 0.13 -0.13 0.00 -1.26 -5.00 105.19 106.78 3kl2 n GLY 150 Ca 0.00 -2.02 -0.22 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 2.35 -4.67 0.99 7.99 -1.26 -4.81 117.00 117.59 3kl2 n LEU 151 Ca 0.00 0.28 -0.43 0.00 -0.01 0.00 0.00 56.01 55.85 3kl2 n LEU 151 Cb 0.00 -1.05 -0.02 0.00 -0.11 0.00 0.00 43.42 42.24 3kl2 n LEU 151 CO 0.00 0.64 0.96 -0.62 -1.51 0.00 0.00 177.39 176.86 3kl2 s ASP 152 N -6.98 7.06 0.50 -1.43 -1.08 -1.26 -4.31 116.67 109.16 3kl2 s ASP 152 Ca -0.26 1.58 0.20 0.00 -0.52 0.00 0.00 52.55 53.55 3kl2 s ASP 152 Cb 0.07 -2.54 1.27 0.00 -1.46 0.00 0.00 42.92 40.25 3kl2 s ASP 152 CO 0.69 -0.66 2.07 0.74 0.52 0.00 0.00 175.17 178.54 3kl2 h THR 153 N 5.35 0.88 0.00 1.71 2.02 -1.87 -2.38 112.91 118.62 3kl2 h THR 153 Ca -0.26 -0.44 -0.09 0.00 0.77 0.00 0.00 66.41 66.40 3kl2 h THR 153 Cb 1.10 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 3kl2 h THR 153 CO 0.94 0.12 -0.41 -0.26 0.37 0.00 0.00 175.52 176.28 3kl2 h PHE 154 N 0.00 0.00 0.00 3.16 0.04 -1.91 -3.27 116.94 114.96 3kl2 h PHE 154 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3kl2 h PHE 154 Cb 0.24 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 3kl2 h PHE 154 CO 0.00 0.41 -0.12 0.00 -0.60 0.00 0.00 178.31 177.99 3kl2 h ALA 155 N 1.59 0.94 0.00 2.45 0.00 -1.83 -3.37 119.26 119.04 3kl2 h ALA 155 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kl2 h ALA 155 Cb 0.82 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3kl2 h ALA 155 CO 0.05 0.03 -0.45 -1.13 0.00 0.00 0.00 179.25 177.75 3kl2 n SER 156 N -3.07 0.33 -3.25 0.00 3.41 -1.25 -5.03 113.62 104.76 3kl2 n SER 156 Ca 0.03 -2.15 -0.20 0.00 -0.26 0.00 0.00 58.87 56.30 3kl2 n SER 156 Cb 0.54 -0.23 -0.07 0.00 -0.26 0.00 0.00 64.21 64.19 3kl2 n SER 156 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kl2 n THR 157 N -0.17 0.00 -0.38 6.66 -2.24 -1.23 -3.59 114.28 113.32 3kl2 n THR 157 Ca 0.02 -2.18 0.09 0.00 -2.27 0.00 0.00 64.05 59.71 3kl2 n THR 157 Cb 0.70 0.97 0.33 0.00 -2.10 0.00 0.00 70.33 70.23 3kl2 n THR 157 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3kl2 n ASN 158 N -1.73 4.34 0.11 3.42 0.23 -1.16 -4.57 115.26 115.91 3kl2 n ASN 158 Ca 0.02 -2.39 -0.13 0.00 -0.53 0.00 0.00 54.58 51.56 3kl2 n ASN 158 Cb 0.55 -0.55 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 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 3.74 -0.78 -0.17 -4.53 5.85 -1.86 -1.84 115.31 115.72 3kl2 h LEU 159 Ca 0.00 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3kl2 h LEU 159 Cb 1.33 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 42.62 3kl2 h LEU 159 CO 0.21 -0.36 -0.06 -0.78 -0.34 0.00 0.00 178.44 177.11 3kl2 h ASP 160 N -0.49 -0.19 -0.48 1.25 1.82 -1.88 0.90 116.42 117.34 3kl2 h ASP 160 Ca 0.03 0.06 0.07 0.00 -0.39 0.00 0.00 57.03 56.80 3kl2 h ASP 160 Cb 0.51 0.12 -0.06 0.00 0.68 0.00 0.00 39.33 40.59 3kl2 h ASP 160 CO -0.16 -0.07 0.15 0.15 -1.61 0.00 0.00 179.24 177.70 3kl2 h PHE 161 N -0.02 0.26 -0.18 0.28 3.57 -1.87 0.16 116.94 119.14 3kl2 h PHE 161 Ca 0.09 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 3kl2 h PHE 161 Cb 0.15 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3kl2 h PHE 161 CO -0.21 0.07 -0.32 0.82 -2.23 0.00 0.00 178.31 176.44 3kl2 h ILE 162 N 0.31 1.34 -0.19 1.41 2.04 -0.77 0.09 117.51 121.73 3kl2 h ILE 162 Ca 0.23 -1.55 0.04 0.00 1.00 0.00 0.00 64.86 64.58 3kl2 h ILE 162 Cb 0.26 1.90 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 3kl2 h ILE 162 CO -0.26 0.47 -0.08 -0.07 0.00 0.00 0.00 178.15 178.21 3kl2 h LEU 163 N 0.19 -0.28 -0.43 1.44 3.38 -0.53 -1.53 115.31 117.55 3kl2 h LEU 163 Ca 0.01 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 3kl2 h LEU 163 Cb 0.91 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3kl2 h LEU 163 CO 0.07 -0.11 -0.07 0.03 0.09 0.00 0.00 178.44 178.45 3kl2 h ARG 164 N -0.05 0.80 -0.95 1.13 2.47 -0.58 -1.58 114.38 115.62 3kl2 h ARG 164 Ca 0.10 -0.29 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 3kl2 h ARG 164 Cb 0.21 -0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.43 3kl2 h ARG 164 CO -0.23 0.91 0.60 1.03 0.56 0.00 0.00 179.97 182.83 3kl2 h SER 165 N 0.63 1.12 0.66 7.04 0.87 -0.87 -2.00 113.55 121.00 3kl2 h SER 165 Ca 0.11 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3kl2 h SER 165 Cb 0.60 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 3kl2 h SER 165 CO 0.04 0.84 -0.07 0.29 -0.53 0.00 0.00 176.83 177.40 3kl2 n LYS 166 N -4.37 0.31 -1.61 2.24 5.02 -0.59 -4.92 118.16 114.24 3kl2 n LYS 166 Ca 0.11 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 3kl2 n LYS 166 Cb 0.04 -1.50 0.00 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 1.37 0.64 3.71 0.72 0.00 -0.75 -4.94 105.19 105.93 3kl2 n GLY 167 Ca 0.11 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.00 5.10 0.00 1.61 1.01 -0.66 -4.52 120.40 120.93 3kl2 s VAL 168 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.17 3kl2 s VAL 168 Cb 0.00 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.45 3kl2 s VAL 168 CO 0.00 0.25 0.53 -0.90 0.00 0.00 0.00 175.10 174.98 3kl2 n ASP 169 N 4.01 1.04 -3.94 3.32 5.68 -0.04 -4.65 116.55 121.97 3kl2 n ASP 169 Ca -0.04 -1.15 -0.25 0.00 -0.50 0.00 0.00 54.79 52.85 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 -0.15 0.99 -0.11 2.12 2.01 -0.63 -1.39 115.64 118.48 3kl2 s THR 170 Ca 0.00 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.68 3kl2 s THR 170 Cb 0.00 -0.98 -0.02 0.00 0.01 0.00 0.00 72.50 71.51 3kl2 s THR 170 CO 0.00 0.35 -0.12 0.27 -0.69 0.00 0.00 174.62 174.42 3kl2 s ILE 171 N 1.30 3.14 -0.25 1.82 -4.36 -0.58 -1.21 121.20 121.06 3kl2 s ILE 171 Ca -0.03 -0.65 -0.08 0.00 -0.26 0.00 0.00 60.65 59.63 3kl2 s ILE 171 Cb -0.14 -2.30 -0.03 0.00 1.25 0.00 0.00 42.46 41.24 3kl2 s ILE 171 CO -0.03 0.54 0.09 -0.69 0.24 0.00 0.00 174.94 175.09 3kl2 s VAL 172 N 0.06 4.51 -0.09 8.37 1.01 0.10 -0.85 120.40 133.51 3kl2 s VAL 172 Ca -0.05 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3kl2 s VAL 172 Cb -0.14 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 3kl2 s VAL 172 CO 0.04 0.33 -0.10 -0.76 0.00 0.00 0.00 175.10 174.61 3kl2 s LEU 173 N 1.58 2.97 0.16 3.92 1.43 -0.31 0.33 118.68 128.76 3kl2 s LEU 173 Ca 0.06 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 52.90 3kl2 s LEU 173 Cb -0.15 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.42 3kl2 s LEU 173 CO 0.05 0.28 0.32 -0.83 0.23 0.00 0.00 176.35 176.40 3kl2 s GLY 174 N -0.32 0.27 0.00 -3.19 0.00 -0.83 -1.87 107.32 101.38 3kl2 s GLY 174 Ca 0.04 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.08 3kl2 s GLY 174 CO 0.02 -0.69 0.00 0.61 0.00 0.00 0.00 173.10 173.04 3kl2 n GLY 175 N -0.22 0.44 3.40 0.20 0.00 0.44 -1.20 105.19 108.26 3kl2 n GLY 175 Ca -0.09 -1.94 -0.27 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.25 2.24 0.05 1.61 0.08 -0.68 -2.48 117.98 117.55 3kl2 s PHE 176 Ca 0.00 -0.38 -0.02 0.00 0.12 0.00 0.00 56.93 56.65 3kl2 s PHE 176 Cb 0.00 -1.16 -0.04 0.00 -0.57 0.00 0.00 43.02 41.25 3kl2 s PHE 176 CO 0.00 0.41 0.24 -0.51 -0.10 0.00 0.00 175.22 175.26 3kl2 s LEU 177 N -2.39 4.35 0.18 -0.37 1.43 -1.26 -4.15 118.68 116.47 3kl2 s LEU 177 Ca 0.17 0.38 -0.19 0.00 -1.03 0.00 0.00 54.13 53.46 3kl2 s LEU 177 Cb -0.09 -2.91 0.13 0.00 0.03 0.00 0.00 46.19 43.35 3kl2 s LEU 177 CO 0.08 0.18 1.61 0.74 0.23 0.00 0.00 176.35 179.19 3kl2 h THR 178 N 2.36 0.31 -0.01 5.49 2.02 -1.49 0.84 112.91 122.44 3kl2 h THR 178 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3kl2 h THR 178 Cb 1.17 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3kl2 h THR 178 CO 0.73 0.00 -0.16 -0.46 0.37 0.00 0.00 175.52 175.99 3kl2 n ASN 179 N -5.41 0.93 0.00 4.18 6.94 -1.26 -3.06 115.26 117.57 3kl2 n ASN 179 Ca 0.04 -0.91 0.00 0.00 -0.02 0.00 0.00 54.58 53.68 3kl2 n ASN 179 Cb 0.32 0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 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 0.33 1.35 -0.47 0.00 2.07 -1.08 -2.57 116.25 115.89 3kl2 h VAL 182 Ca 0.08 -1.65 -0.10 0.00 0.82 0.00 0.00 66.70 65.85 3kl2 h VAL 182 Cb 0.15 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 3kl2 h VAL 182 CO -0.00 0.50 -0.13 -0.08 0.02 0.00 0.00 177.57 177.88 3kl2 h GLU 183 N 0.15 0.87 -0.61 1.57 4.81 -1.36 -1.45 114.58 118.56 3kl2 h GLU 183 Ca -0.00 -0.31 -0.09 0.00 -0.13 0.00 0.00 59.36 58.82 3kl2 h GLU 183 Cb 0.98 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 3kl2 h GLU 183 CO 0.08 0.95 0.01 0.77 -0.73 0.00 0.00 179.01 180.09 3kl2 h SER 184 N 0.78 1.04 -0.39 1.04 0.02 -0.82 -0.86 113.55 114.35 3kl2 h SER 184 Ca 0.12 -0.29 -0.15 0.00 -0.84 0.00 0.00 61.79 60.64 3kl2 h SER 184 Cb 0.64 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3kl2 h SER 184 CO 0.04 1.08 -0.32 0.74 -1.14 0.00 0.00 176.83 177.23 3kl2 h THR 185 N 0.97 1.27 -0.19 -2.27 2.02 -1.30 -2.11 112.91 111.31 3kl2 h THR 185 Ca 0.18 -1.49 -0.05 0.00 0.77 0.00 0.00 66.41 65.81 3kl2 h THR 185 Cb 0.54 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 3kl2 h THR 185 CO 0.03 0.50 -0.07 -0.03 0.37 0.00 0.00 175.52 176.33 3kl2 h MET 186 N 0.78 0.39 -0.45 6.66 -1.53 -1.11 -0.10 114.93 119.57 3kl2 h MET 186 Ca 0.08 -0.16 0.05 0.00 -3.44 0.00 0.00 59.70 56.23 3kl2 h MET 186 Cb 0.91 -0.02 -0.05 0.00 -0.55 0.00 0.00 31.60 31.89 3kl2 h MET 186 CO 0.08 0.66 0.18 0.00 0.14 0.00 0.00 176.91 177.97 3kl2 h ARG 187 N 0.10 0.35 -0.20 0.39 3.08 -1.04 -1.75 114.38 115.31 3kl2 h ARG 187 Ca 0.05 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 3kl2 h ARG 187 Cb 0.53 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3kl2 h ARG 187 CO 0.02 0.23 -0.52 1.15 -1.07 0.00 0.00 179.97 179.79 3kl2 h THR 188 N 0.36 1.32 -0.73 2.04 2.02 -1.33 -2.08 112.91 114.51 3kl2 h THR 188 Ca 0.21 -1.75 0.04 0.00 0.77 0.00 0.00 66.41 65.68 3kl2 h THR 188 Cb 0.18 1.72 -0.05 0.00 -1.74 0.00 0.00 68.15 68.26 3kl2 h THR 188 CO -0.19 0.54 0.44 1.23 0.37 0.00 0.00 175.52 177.92 3kl2 h GLY 189 N 1.06 1.06 0.84 2.16 0.00 -0.45 -0.72 103.07 107.02 3kl2 h GLY 189 Ca 0.02 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 3kl2 h GLY 189 CO 0.10 0.25 -0.15 -1.82 0.00 0.00 0.00 176.54 174.92 3kl2 h TYR 190 N 0.85 0.58 -0.75 5.60 3.20 -1.28 -1.56 116.97 123.61 3kl2 h TYR 190 Ca 0.30 -0.16 0.15 0.00 3.14 0.00 0.00 58.73 62.16 3kl2 h TYR 190 Cb 0.08 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.17 3kl2 h TYR 190 CO -0.05 0.80 0.50 0.93 -1.64 0.00 0.00 178.16 178.71 3kl2 h GLU 191 N 0.19 0.40 -0.17 1.82 4.39 -0.96 -0.80 114.58 119.44 3kl2 h GLU 191 Ca 0.04 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3kl2 h GLU 191 Cb 0.68 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3kl2 h GLU 191 CO 0.04 0.26 0.00 0.54 -1.16 0.00 0.00 179.01 178.70 3kl2 n ARG 192 N -4.48 1.75 -0.44 2.33 1.74 -0.31 -4.92 116.66 112.33 3kl2 n ARG 192 Ca 0.14 -1.13 0.00 0.00 -0.77 0.00 0.00 57.85 56.09 3kl2 n ARG 192 Cb 0.53 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 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 1.14 0.75 3.77 -0.13 0.00 -0.31 -5.05 105.19 105.36 3kl2 n GLY 193 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.48 2.97 -0.51 1.61 0.08 -0.63 -4.99 117.98 114.03 3kl2 s PHE 194 Ca 0.00 1.53 -0.28 0.00 0.12 0.00 0.00 56.93 58.30 3kl2 s PHE 194 Cb 0.00 -3.43 0.02 0.00 -0.57 0.00 0.00 43.02 39.04 3kl2 s PHE 194 CO 0.00 -1.49 1.36 0.50 -0.10 0.00 0.00 175.22 175.49 3kl2 s ARG 195 N -2.42 3.45 -0.29 0.44 3.52 -0.49 -4.39 118.95 118.78 3kl2 s ARG 195 Ca 0.59 0.59 -0.13 0.00 -0.13 0.00 0.00 55.73 56.65 3kl2 s ARG 195 Cb -0.31 -4.06 -0.04 0.00 -1.56 0.00 0.00 34.95 28.99 3kl2 s ARG 195 CO 0.39 -1.74 0.30 0.08 -0.81 0.00 0.00 175.30 173.52 3kl2 s VAL 196 N 5.58 5.23 -0.28 7.11 1.01 -1.26 -1.52 120.40 136.26 3kl2 s VAL 196 Ca 0.54 0.28 -0.10 0.00 0.00 0.00 0.00 61.98 62.70 3kl2 s VAL 196 Cb -0.11 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 3kl2 s VAL 196 CO 0.28 0.13 0.16 -0.63 0.00 0.00 0.00 175.10 175.05 3kl2 s ILE 197 N 1.93 4.95 -0.25 2.22 1.01 -0.03 -0.45 121.20 130.58 3kl2 s ILE 197 Ca 0.11 -0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.60 3kl2 s ILE 197 Cb -0.16 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 3kl2 s ILE 197 CO 0.11 0.21 0.16 0.42 0.00 0.00 0.00 174.94 175.84 3kl2 s THR 198 N 1.70 5.29 -0.68 2.92 -4.23 -0.65 -1.17 115.64 118.82 3kl2 s THR 198 Ca 0.06 0.16 -0.27 0.00 -1.18 0.00 0.00 61.69 60.46 3kl2 s THR 198 Cb -0.16 -3.48 0.02 0.00 1.34 0.00 0.00 72.50 70.22 3kl2 s THR 198 CO 0.08 0.32 1.41 -0.76 -0.54 0.00 0.00 174.62 175.13 3kl2 s LEU 199 N 1.28 3.24 0.51 4.79 1.43 -0.78 -0.92 118.68 128.23 3kl2 s LEU 199 Ca 0.07 -0.15 0.34 0.00 -1.03 0.00 0.00 54.13 53.36 3kl2 s LEU 199 Cb -0.14 -2.67 1.52 0.00 0.03 0.00 0.00 46.19 44.93 3kl2 s LEU 199 CO 0.06 -1.90 2.00 0.71 0.23 0.00 0.00 176.35 177.46 3kl2 h THR 200 N 6.25 0.00 -0.31 5.49 1.35 -1.11 -2.22 112.91 122.36 3kl2 h THR 200 Ca -0.27 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3kl2 h THR 200 Cb 1.08 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3kl2 h THR 200 CO 1.25 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.62 3kl2 n ASP 201 N -2.89 3.09 -1.84 5.36 5.68 -1.26 -4.46 116.55 120.23 3kl2 n ASP 201 Ca -0.00 -2.22 -0.21 0.00 -0.50 0.00 0.00 54.79 51.87 3kl2 n ASP 201 Cb 0.22 -0.29 0.05 0.00 -1.14 0.00 0.00 41.12 39.97 3kl2 n ASP 201 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kl2 s VAL 203 N -4.41 0.18 0.03 0.00 -7.23 -1.25 -0.42 120.40 107.30 3kl2 s VAL 203 Ca 0.50 -1.54 -0.20 0.00 -1.81 0.00 0.00 61.98 58.93 3kl2 s VAL 203 Cb 0.41 -1.49 0.04 0.00 0.56 0.00 0.00 36.38 35.91 3kl2 s VAL 203 CO 0.02 -0.80 0.45 0.00 -0.31 0.00 0.00 175.10 174.46 3kl2 s ALA 204 N -3.90 -1.14 0.24 1.32 0.00 -1.04 -4.87 121.76 112.36 3kl2 s ALA 204 Ca 0.07 0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.54 3kl2 s ALA 204 Cb 0.07 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 3kl2 s ALA 204 CO -0.09 -0.45 0.16 0.00 0.00 0.00 0.00 175.76 175.38 3kl2 n ALA 205 N 0.57 0.45 0.15 0.00 0.00 -1.26 -1.55 120.51 118.87 3kl2 n ALA 205 Ca -0.19 -1.32 0.12 0.00 0.00 0.00 0.00 53.44 52.05 3kl2 n ALA 205 Cb 0.59 1.01 0.02 0.00 0.00 0.00 0.00 19.45 21.07 3kl2 n ALA 205 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3kl2 h THR 206 N 1.63 0.00 -3.58 0.00 1.35 -1.93 -3.40 112.91 106.98 3kl2 h THR 206 Ca -0.17 -0.95 -0.52 0.00 -0.55 0.00 0.00 66.41 64.22 3kl2 h THR 206 Cb 0.80 1.47 -0.33 0.00 -1.73 0.00 0.00 68.15 68.36 3kl2 h THR 206 CO 0.26 0.00 -0.82 -0.55 -0.25 0.00 0.00 175.52 174.16 3kl2 s SER 207 N -5.28 1.83 0.22 5.36 0.15 -1.26 -4.76 113.70 109.96 3kl2 s SER 207 Ca 0.00 -0.30 -0.07 0.00 0.70 0.00 0.00 55.95 56.28 3kl2 s SER 207 Cb 0.10 -0.73 0.18 0.00 -1.71 0.00 0.00 66.02 63.86 3kl2 s SER 207 CO 0.78 0.07 1.82 -0.61 1.20 0.00 0.00 173.24 176.50 3kl2 h GLN 208 N 6.72 1.23 -0.27 5.44 5.75 -1.97 -0.94 115.11 131.06 3kl2 h GLN 208 Ca -0.31 -0.18 0.03 0.00 -0.15 0.00 0.00 58.65 58.04 3kl2 h GLN 208 Cb 1.18 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 29.48 3kl2 h GLN 208 CO 0.48 0.94 0.08 0.93 -2.65 0.00 0.00 178.83 178.61 3kl2 h GLU 209 N 1.21 0.20 -0.45 1.69 3.07 -1.99 -0.43 114.58 117.87 3kl2 h GLU 209 Ca 0.29 -0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 59.01 3kl2 h GLU 209 Cb 0.12 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 3kl2 h GLU 209 CO -0.04 0.13 -0.22 0.93 -1.40 0.00 0.00 179.01 178.41 3kl2 h GLU 210 N 0.20 0.93 -0.46 2.33 5.08 -1.94 -1.32 114.58 119.40 3kl2 h GLU 210 Ca 0.12 -0.39 0.03 0.00 -1.00 0.00 0.00 59.36 58.12 3kl2 h GLU 210 Cb 0.10 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3kl2 h GLU 210 CO -0.13 1.05 0.25 1.25 -1.00 0.00 0.00 179.01 180.43 3kl2 h HIS 211 N 0.80 0.46 -0.01 4.33 2.76 -0.68 -1.89 115.15 120.93 3kl2 h HIS 211 Ca 0.10 0.02 -0.25 0.00 -2.20 0.00 0.00 60.37 58.05 3kl2 h HIS 211 Cb 0.78 -0.14 0.01 0.00 1.55 0.00 0.00 27.41 29.61 3kl2 h HIS 211 CO 0.05 0.25 -0.99 -0.91 -1.30 0.00 0.00 177.93 175.03 3kl2 h ASN 212 N 0.50 0.75 -0.46 3.26 2.35 -0.86 -2.80 115.58 118.32 3kl2 h ASN 212 Ca 0.19 -0.59 -0.04 0.00 -0.55 0.00 0.00 56.30 55.31 3kl2 h ASN 212 Cb 0.07 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 3kl2 h ASN 212 CO -0.12 1.39 0.11 0.78 -1.65 0.00 0.00 177.43 177.95 3kl2 h ASN 213 N 0.33 0.69 -0.65 5.81 2.35 -1.13 0.43 115.58 123.41 3kl2 h ASN 213 Ca -0.10 -0.23 0.03 0.00 -0.55 0.00 0.00 56.30 55.45 3kl2 h ASN 213 Cb 1.63 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 39.77 3kl2 h ASN 213 CO 0.18 0.74 0.40 0.00 -1.65 0.00 0.00 177.43 177.11 3kl2 h ALA 214 N 0.97 0.85 -0.40 -0.83 0.00 -1.36 0.96 119.26 119.46 3kl2 h ALA 214 Ca 0.14 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3kl2 h ALA 214 Cb 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kl2 h ALA 214 CO 0.00 0.14 -0.23 0.82 0.00 0.00 0.00 179.25 179.99 3kl2 h ILE 215 N 0.78 1.27 0.01 0.00 2.04 -1.20 -0.73 117.51 119.67 3kl2 h ILE 215 Ca 0.27 -1.36 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 3kl2 h ILE 215 Cb 0.04 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3kl2 h ILE 215 CO -0.12 0.46 -0.00 0.28 0.00 0.00 0.00 178.15 178.77 3kl2 h SER 216 N 0.71 -0.01 0.05 1.72 0.02 -0.60 -3.35 113.55 112.09 3kl2 h SER 216 Ca 0.10 -0.75 -0.30 0.00 -0.84 0.00 0.00 61.79 60.00 3kl2 h SER 216 Cb 0.76 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.27 3kl2 h SER 216 CO 0.06 0.75 -1.61 -1.22 -1.14 0.00 0.00 176.83 173.67 3kl2 n TYR 217 N -4.73 1.09 -0.08 3.45 4.01 0.31 -4.66 117.16 116.55 3kl2 n TYR 217 Ca -0.09 0.35 -0.17 0.00 -0.16 0.00 0.00 57.90 57.83 3kl2 n TYR 217 Cb 0.37 -1.12 -0.13 0.00 -0.31 0.00 0.00 39.34 38.14 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 -4.03 1.71 -0.27 7.72 8.00 -0.52 -4.36 116.55 124.80 3kl2 n ASP 218 Ca -0.33 0.01 -0.00 0.00 0.71 0.00 0.00 54.79 55.18 3kl2 n ASP 218 Cb 0.84 -0.35 0.12 0.00 -0.02 0.00 0.00 41.12 41.72 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 0.02 0.85 0.00 1.24 0.05 -1.32 -1.98 116.94 115.80 3kl2 h PHE 219 Ca -0.51 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.28 3kl2 h PHE 219 Cb 1.99 -0.27 -0.00 0.00 2.00 0.00 0.00 35.95 39.67 3kl2 h PHE 219 CO 0.04 0.42 -0.11 -1.35 -0.18 0.00 0.00 178.31 177.13 3kl2 h PRO 220 N 0.84 0.00 0.00 1.51 0.11 -1.77 -1.23 132.00 131.46 3kl2 h PRO 220 Ca 0.34 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.41 3kl2 h PRO 220 Cb 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 3kl2 h PRO 220 CO -0.18 0.11 -0.22 0.52 -0.21 0.00 0.00 178.00 178.01 3kl2 h MET 221 N 0.00 0.00 0.00 1.05 2.86 -1.55 -3.35 114.93 113.93 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 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3kl2 h MET 221 CO 0.01 0.22 0.00 1.19 1.06 0.00 0.00 176.91 179.40 3kl2 n PHE 222 N -4.03 0.00 -3.82 -0.22 3.72 -0.95 -5.09 117.46 107.06 3kl2 n PHE 222 Ca -0.02 -0.16 -0.07 0.00 -0.05 0.00 0.00 57.45 57.15 3kl2 n PHE 222 Cb 0.30 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.80 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 -0.32 -0.28 -0.50 4.37 1.04 -0.51 -4.59 113.70 112.92 3kl2 s SER 223 Ca 0.00 -0.55 -0.18 0.00 0.48 0.00 0.00 55.95 55.70 3kl2 s SER 223 Cb 0.00 0.71 0.07 0.00 0.10 0.00 0.00 66.02 66.90 3kl2 s SER 223 CO 0.00 -1.30 0.53 -0.69 0.98 0.00 0.00 173.24 172.76 3kl2 s VAL 224 N -3.89 5.03 0.23 5.02 1.01 0.41 -4.46 120.40 123.74 3kl2 s VAL 224 Ca 0.10 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 3kl2 s VAL 224 Cb -0.05 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 3kl2 s VAL 224 CO 0.05 -0.73 1.01 -2.84 0.00 0.00 0.00 175.10 172.59 3kl2 s PRO 225 N 2.20 4.75 0.07 2.72 0.02 -1.26 -1.64 135.00 141.87 3kl2 s PRO 225 Ca 0.10 1.60 -0.10 0.00 0.02 0.00 0.00 61.00 62.62 3kl2 s PRO 225 Cb -0.22 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.04 3kl2 s PRO 225 CO 0.09 0.35 0.22 -1.64 -0.33 0.00 0.00 177.00 175.69 3kl2 s MET 226 N -1.02 0.80 0.51 5.54 -1.94 -0.09 -4.91 119.30 118.18 3kl2 s MET 226 Ca 0.44 -0.79 -0.13 0.00 -1.71 0.00 0.00 55.69 53.50 3kl2 s MET 226 Cb -0.28 0.33 -0.06 0.00 2.01 0.00 0.00 34.83 36.83 3kl2 s MET 226 CO 0.35 -0.25 0.92 0.95 -0.01 0.00 0.00 175.02 176.98 3kl2 s THR 227 N -3.29 4.67 0.22 2.05 -4.23 -1.26 -0.47 115.64 113.32 3kl2 s THR 227 Ca 0.00 0.91 -0.09 0.00 -1.18 0.00 0.00 61.69 61.33 3kl2 s THR 227 Cb 0.02 -3.77 0.19 0.00 1.34 0.00 0.00 72.50 70.28 3kl2 s THR 227 CO -0.08 -0.76 1.69 0.77 -0.54 0.00 0.00 174.62 175.70 3kl2 h SER 228 N 0.68 -0.07 -0.39 3.99 4.64 -1.92 -1.59 113.55 118.89 3kl2 h SER 228 Ca -0.46 0.13 0.07 0.00 -0.47 0.00 0.00 61.79 61.06 3kl2 h SER 228 Cb 1.19 0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 63.41 3kl2 h SER 228 CO 0.62 -0.04 0.01 0.00 -0.87 0.00 0.00 176.83 176.55 3kl2 h ALA 229 N 1.53 0.36 0.00 5.18 0.00 -1.95 0.82 119.26 125.20 3kl2 h ALA 229 Ca 0.34 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.28 3kl2 h ALA 229 Cb 0.54 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3kl2 h ALA 229 CO -0.46 -0.39 -0.36 -0.44 0.00 0.00 0.00 179.25 177.60 3kl2 h ASP 230 N 0.11 0.00 -0.12 0.00 3.32 -1.77 -1.23 116.42 116.73 3kl2 h ASP 230 Ca 0.19 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.06 3kl2 h ASP 230 Cb 0.26 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.82 3kl2 h ASP 230 CO -0.31 0.36 -0.62 0.58 -1.72 0.00 0.00 179.24 177.54 3kl2 h VAL 231 N 0.00 1.33 -0.94 -1.35 2.07 -0.35 -2.82 116.25 114.19 3kl2 h VAL 231 Ca -0.00 -1.89 0.01 0.00 0.82 0.00 0.00 66.70 65.63 3kl2 h VAL 231 Cb 0.64 2.11 -0.05 0.00 -1.52 0.00 0.00 31.29 32.48 3kl2 h VAL 231 CO 0.05 0.58 0.61 0.40 0.02 0.00 0.00 177.57 179.23 3kl2 h ILE 232 N 0.29 1.25 -0.52 4.57 2.04 -0.63 0.22 117.51 124.72 3kl2 h ILE 232 Ca -0.04 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 3kl2 h ILE 232 Cb 1.26 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3kl2 h ILE 232 CO 0.13 0.24 0.29 0.00 0.00 0.00 0.00 178.15 178.81 3kl2 h ALA 233 N 1.39 0.67 -0.45 1.87 0.00 -1.23 0.20 119.26 121.71 3kl2 h ALA 233 Ca 0.34 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 3kl2 h ALA 233 Cb -0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3kl2 h ALA 233 CO -0.07 0.19 -0.12 0.00 0.00 0.00 0.00 179.25 179.25 3kl2 h ALA 234 N 1.12 0.93 -0.11 0.00 0.00 -1.16 -2.24 119.26 117.80 3kl2 h ALA 234 Ca 0.18 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3kl2 h ALA 234 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3kl2 h ALA 234 CO -0.03 0.62 -0.40 -0.07 0.00 0.00 0.00 179.25 179.37 3kl2 h LEU 235 N 0.75 0.25 -0.18 0.00 3.38 -0.35 -3.41 115.31 115.75 3kl2 h LEU 235 Ca 0.12 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kl2 h LEU 235 Cb 0.63 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3kl2 h LEU 235 CO 0.04 0.63 0.00 1.21 0.09 0.00 0.00 178.44 180.41