#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kl2 s GLU 37 N 0.00 1.51 -0.12 1.96 4.04 -1.26 -4.86 118.70 119.96 3kl2 s GLU 37 Ca 0.00 -1.29 -0.00 0.00 0.04 0.00 0.00 54.97 53.72 3kl2 s GLU 37 Cb 0.00 -1.93 -0.02 0.00 0.02 0.00 0.00 34.13 32.20 3kl2 s GLU 37 CO 0.00 0.46 -0.12 -0.51 -1.84 0.00 0.00 175.26 173.26 3kl2 s LEU 38 N -1.92 2.82 -0.29 1.83 1.43 -1.26 -5.09 118.68 116.19 3kl2 s LEU 38 Ca 0.14 -0.27 -0.20 0.00 -1.03 0.00 0.00 54.13 52.76 3kl2 s LEU 38 Cb -0.10 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 3kl2 s LEU 38 CO 0.06 0.19 0.63 -0.62 0.23 0.00 0.00 176.35 176.84 3kl2 s ASP 39 N 0.21 6.52 0.23 2.29 3.68 -1.26 -4.97 116.67 123.37 3kl2 s ASP 39 Ca -0.07 0.50 -0.07 0.00 2.13 0.00 0.00 52.55 55.05 3kl2 s ASP 39 Cb -0.15 -2.33 0.27 0.00 -1.45 0.00 0.00 42.92 39.26 3kl2 s ASP 39 CO 0.05 -0.45 1.88 -0.65 0.13 0.00 0.00 175.17 176.12 3kl2 h PRO 40 N 8.11 1.03 0.00 4.34 0.11 -1.94 -1.81 132.00 141.85 3kl2 h PRO 40 Ca -0.27 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3kl2 h PRO 40 Cb 1.12 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3kl2 h PRO 40 CO 0.80 0.68 0.00 0.00 -0.21 0.00 0.00 178.00 179.27 3kl2 n ALA 41 N -2.34 1.53 -0.94 -0.75 0.00 -1.26 -3.36 120.51 113.39 3kl2 n ALA 41 Ca 0.11 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.56 3kl2 n ALA 41 Cb 0.10 -1.19 0.06 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.52 1.37 -4.42 0.00 1.74 -0.71 -4.65 116.66 108.47 3kl2 n ARG 42 Ca 0.03 -1.76 -0.25 0.00 -0.77 0.00 0.00 57.85 55.09 3kl2 n ARG 42 Cb 0.14 -1.07 -0.10 0.00 -1.02 0.00 0.00 32.46 30.41 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 -1.51 2.55 -0.00 0.55 2.01 -1.00 -1.15 115.64 117.09 3kl2 s THR 43 Ca 0.14 -2.15 -0.06 0.00 0.31 0.00 0.00 61.69 59.93 3kl2 s THR 43 Cb 0.12 -2.29 0.00 0.00 0.01 0.00 0.00 72.50 70.34 3kl2 s THR 43 CO 0.01 -0.25 0.12 0.00 -0.69 0.00 0.00 174.62 173.81 3kl2 s ALA 44 N -2.07 -0.27 -0.26 7.40 0.00 -0.52 -4.14 121.76 121.90 3kl2 s ALA 44 Ca 0.26 -0.11 -0.12 0.00 0.00 0.00 0.00 51.96 51.99 3kl2 s ALA 44 Cb -0.07 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 3kl2 s ALA 44 CO 0.13 -0.18 0.25 0.42 0.00 0.00 0.00 175.76 176.38 3kl2 s ILE 45 N -1.15 5.27 -0.24 0.00 -1.09 -0.73 -1.34 121.20 121.92 3kl2 s ILE 45 Ca -0.12 0.32 -0.05 0.00 -2.23 0.00 0.00 60.65 58.57 3kl2 s ILE 45 Cb -0.07 -3.59 -0.01 0.00 -1.58 0.00 0.00 42.46 37.22 3kl2 s ILE 45 CO 0.01 0.25 -0.00 -0.69 -1.23 0.00 0.00 174.94 173.27 3kl2 s VAL 46 N 1.66 3.62 -0.34 2.92 1.01 0.11 -0.77 120.40 128.61 3kl2 s VAL 46 Ca 0.10 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 3kl2 s VAL 46 Cb -0.15 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.55 3kl2 s VAL 46 CO 0.09 0.33 0.12 -0.76 0.00 0.00 0.00 175.10 174.88 3kl2 s LEU 47 N 1.50 4.31 -0.25 3.92 1.43 0.10 -2.11 118.68 127.57 3kl2 s LEU 47 Ca 0.05 -1.03 -0.16 0.00 -1.03 0.00 0.00 54.13 51.95 3kl2 s LEU 47 Cb -0.15 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 3kl2 s LEU 47 CO -0.01 -0.31 0.43 -0.63 0.23 0.00 0.00 176.35 176.06 3kl2 s ILE 48 N 1.45 5.14 -1.39 -0.59 1.01 0.26 -1.14 121.20 125.94 3kl2 s ILE 48 Ca -0.00 0.71 -0.05 0.00 0.00 0.00 0.00 60.65 61.31 3kl2 s ILE 48 Cb -0.19 -3.75 0.03 0.00 0.01 0.00 0.00 42.46 38.56 3kl2 s ILE 48 CO 0.03 0.16 0.80 -0.62 0.00 0.00 0.00 174.94 175.31 3kl2 n GLU 49 N 5.19 -5.13 -1.99 2.79 1.02 -0.44 -2.02 120.64 120.07 3kl2 n GLU 49 Ca -0.07 0.61 -0.42 0.00 -0.02 0.00 0.00 57.16 57.26 3kl2 n GLU 49 Cb 0.50 -5.28 0.00 0.00 -0.02 0.00 0.00 31.44 26.65 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 -4.43 3.61 -4.30 -0.32 4.01 -1.26 -4.63 117.16 109.84 3kl2 n TYR 50 Ca -0.18 -2.94 -0.24 0.00 -0.16 0.00 0.00 57.90 54.39 3kl2 n TYR 50 Cb 0.62 -2.44 -0.12 0.00 -0.31 0.00 0.00 39.34 37.09 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 2.74 1.16 0.34 -0.72 -0.21 -1.26 -1.32 119.66 120.39 3kl2 s GLN 51 Ca 0.46 -1.22 0.09 0.00 0.02 0.00 0.00 55.36 54.71 3kl2 s GLN 51 Cb 0.11 -1.38 0.80 0.00 1.00 0.00 0.00 33.01 33.55 3kl2 s GLN 51 CO -0.05 0.31 1.84 -0.91 -2.12 0.00 0.00 175.29 174.37 3kl2 h ASN 52 N 3.90 0.69 -1.02 5.90 2.35 -1.19 0.40 115.58 126.61 3kl2 h ASN 52 Ca -0.45 0.05 0.27 0.00 -0.55 0.00 0.00 56.30 55.62 3kl2 h ASN 52 Cb 1.19 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 39.41 3kl2 h ASN 52 CO 0.42 0.32 0.70 -0.08 -1.65 0.00 0.00 177.43 177.13 3kl2 h GLU 53 N 0.71 0.20 0.00 0.81 4.57 -1.44 -0.76 114.58 118.67 3kl2 h GLU 53 Ca 0.49 -0.01 -0.44 0.00 -1.18 0.00 0.00 59.36 58.21 3kl2 h GLU 53 Cb 0.80 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 29.28 3kl2 h GLU 53 CO -0.25 0.13 -2.45 1.19 -1.18 0.00 0.00 179.01 176.46 3kl2 n PHE 54 N -4.42 0.09 0.36 0.92 3.72 0.11 -0.93 117.46 117.31 3kl2 n PHE 54 Ca 0.23 0.04 0.12 0.00 -0.05 0.00 0.00 57.45 57.79 3kl2 n PHE 54 Cb 0.96 -1.01 0.25 0.00 -0.94 0.00 0.00 39.48 38.74 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 -0.91 0.00 -4.09 4.37 1.35 0.17 -3.35 112.91 110.46 3kl2 h THR 55 Ca -0.67 -0.82 -0.46 0.00 -0.55 0.00 0.00 66.41 63.91 3kl2 h THR 55 Cb 1.62 1.82 -0.26 0.00 -1.73 0.00 0.00 68.15 69.60 3kl2 h THR 55 CO -0.38 0.00 -0.80 -0.44 -0.25 0.00 0.00 175.52 173.65 3kl2 s SER 56 N -5.65 1.65 0.08 5.36 0.01 -0.36 -5.00 113.70 109.79 3kl2 s SER 56 Ca 0.08 -0.39 -0.33 0.00 1.31 0.00 0.00 55.95 56.62 3kl2 s SER 56 Cb 0.07 -0.13 -0.12 0.00 0.21 0.00 0.00 66.02 66.05 3kl2 s SER 56 CO 0.65 0.08 1.76 0.47 0.41 0.00 0.00 173.24 176.60 3kl2 n ASP 57 N 2.17 3.56 0.00 2.44 8.00 -1.26 0.66 116.55 132.12 3kl2 n ASP 57 Ca -0.17 1.02 0.00 0.00 0.71 0.00 0.00 54.79 56.35 3kl2 n ASP 57 Cb 0.55 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 3kl2 n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kl2 n GLY 58 N 4.00 3.12 3.63 0.44 0.00 -1.26 -5.06 105.19 110.06 3kl2 n GLY 58 Ca 0.19 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 0.50 0.44 -0.02 0.00 0.21 -4.86 105.19 99.46 3kl2 n GLY 59 Ca 0.00 0.52 0.26 0.00 0.00 0.00 0.00 46.02 46.79 3kl2 n GLY 59 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kl2 h VAL 60 N 2.91 0.58 -0.14 1.61 2.07 -1.86 -2.80 116.25 118.62 3kl2 h VAL 60 Ca -0.44 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3kl2 h VAL 60 Cb 1.30 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3kl2 h VAL 60 CO 0.74 0.02 0.00 0.18 0.02 0.00 0.00 177.57 178.53 3kl2 n LEU 61 N -4.36 2.35 -0.29 2.57 4.77 -0.10 -4.66 117.00 117.29 3kl2 n LEU 61 Ca 0.19 -1.33 -0.05 0.00 -0.03 0.00 0.00 56.01 54.79 3kl2 n LEU 61 Cb 0.89 -0.08 0.09 0.00 -2.33 0.00 0.00 43.42 41.98 3kl2 n LEU 61 CO 0.36 0.50 1.08 -0.74 -1.33 0.00 0.00 177.39 177.26 3kl2 h HIS 62 N 2.34 1.19 -0.02 -1.77 2.76 -1.09 -1.44 115.15 117.12 3kl2 h HIS 62 Ca 0.00 -0.07 0.01 0.00 -2.20 0.00 0.00 60.37 58.10 3kl2 h HIS 62 Cb 0.59 -0.36 -0.00 0.00 1.55 0.00 0.00 27.41 29.19 3kl2 h HIS 62 CO 0.08 0.88 0.02 0.78 -1.30 0.00 0.00 177.93 178.39 3kl2 h GLY 63 N 1.17 0.00 1.83 5.26 0.00 -1.83 -1.39 103.07 108.11 3kl2 h GLY 63 Ca 0.27 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.43 3kl2 h GLY 63 CO -0.03 0.00 -0.74 0.00 0.00 0.00 0.00 176.54 175.77 3kl2 h ALA 64 N 1.99 0.71 -0.11 3.60 0.00 -1.59 -3.31 119.26 120.56 3kl2 h ALA 64 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3kl2 h ALA 64 Cb 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kl2 h ALA 64 CO -0.00 0.84 0.00 1.33 0.00 0.00 0.00 179.25 181.42 3kl2 n VAL 65 N -3.74 0.35 -0.14 0.00 0.24 -1.04 -4.20 118.33 109.80 3kl2 n VAL 65 Ca -0.02 -0.68 -0.12 0.00 -2.04 0.00 0.00 64.34 61.48 3kl2 n VAL 65 Cb 0.71 0.95 -0.01 0.00 -1.47 0.00 0.00 33.84 34.02 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 1.71 0.63 -0.35 2.33 0.00 -1.35 -1.23 119.26 121.00 3kl2 h ALA 66 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 3kl2 h ALA 66 Cb 0.48 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3kl2 h ALA 66 CO 0.00 0.65 0.18 -0.44 0.00 0.00 0.00 179.25 179.64 3kl2 h ASP 67 N 0.80 0.44 0.04 0.00 3.32 -1.84 -1.38 116.42 117.80 3kl2 h ASP 67 Ca 0.09 -0.10 -0.17 0.00 0.02 0.00 0.00 57.03 56.87 3kl2 h ASP 67 Cb 0.84 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 3kl2 h ASP 67 CO 0.07 0.42 -0.60 0.58 -1.72 0.00 0.00 179.24 177.99 3kl2 h VAL 68 N 0.43 1.33 -0.64 -1.35 2.07 -1.78 -0.74 116.25 115.57 3kl2 h VAL 68 Ca 0.12 -1.87 0.10 0.00 0.82 0.00 0.00 66.70 65.87 3kl2 h VAL 68 Cb 0.08 1.85 -0.08 0.00 -1.52 0.00 0.00 31.29 31.62 3kl2 h VAL 68 CO -0.02 0.58 0.24 0.24 0.02 0.00 0.00 177.57 178.64 3kl2 h MET 69 N 0.42 0.41 -0.08 1.57 2.86 -1.01 -1.13 114.93 117.96 3kl2 h MET 69 Ca -0.00 -0.02 -0.21 0.00 -2.06 0.00 0.00 59.70 57.41 3kl2 h MET 69 Cb 1.16 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.74 3kl2 h MET 69 CO 0.11 0.27 -0.75 0.37 1.06 0.00 0.00 176.91 177.97 3kl2 h GLN 70 N 0.42 0.66 -0.28 1.72 4.15 -1.02 -0.98 115.11 119.77 3kl2 h GLN 70 Ca 0.33 -0.59 0.05 0.00 0.77 0.00 0.00 58.65 59.21 3kl2 h GLN 70 Cb 0.42 0.14 -0.05 0.00 0.21 0.00 0.00 27.48 28.20 3kl2 h GLN 70 CO -0.32 1.20 -0.04 1.25 -1.93 0.00 0.00 178.83 179.00 3kl2 h HIS 71 N 0.32 -0.08 0.00 3.99 2.76 -0.89 -3.09 115.15 118.16 3kl2 h HIS 71 Ca -0.07 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 57.97 3kl2 h HIS 71 Cb 1.40 0.08 -0.02 0.00 1.55 0.00 0.00 27.41 30.42 3kl2 h HIS 71 CO 0.11 -0.09 -0.72 1.79 -1.30 0.00 0.00 177.93 177.72 3kl2 h THR 72 N 0.04 1.31 -3.96 6.26 1.35 -1.23 -3.48 112.91 113.21 3kl2 h THR 72 Ca 0.14 -2.64 -0.31 0.00 -0.55 0.00 0.00 66.41 63.05 3kl2 h THR 72 Cb 0.20 2.51 0.07 0.00 -1.73 0.00 0.00 68.15 69.19 3kl2 h THR 72 CO -0.26 0.70 -0.49 0.61 -0.25 0.00 0.00 175.52 175.83 3kl2 n GLY 73 N 1.02 -0.23 0.29 5.82 0.00 -0.39 -4.91 105.19 106.78 3kl2 n GLY 73 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.43 0.86 0.18 1.61 -0.00 -1.71 -2.09 114.93 112.36 3kl2 h MET 74 Ca -0.42 -0.27 0.01 0.00 -0.00 0.00 0.00 59.70 59.02 3kl2 h MET 74 Cb 1.28 -0.08 -0.02 0.00 -0.00 0.00 0.00 31.60 32.78 3kl2 h MET 74 CO 0.44 0.89 -0.22 1.25 -0.00 0.00 0.00 176.91 179.27 3kl2 h LEU 75 N 0.79 -0.59 -0.68 -0.10 5.85 -1.89 -0.92 115.31 117.77 3kl2 h LEU 75 Ca 0.14 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.81 3kl2 h LEU 75 Cb 0.54 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3kl2 h LEU 75 CO 0.03 -0.31 -0.19 0.00 -0.34 0.00 0.00 178.44 177.63 3kl2 h ALA 76 N 0.30 0.86 -0.66 1.25 0.00 -1.91 -0.14 119.26 118.97 3kl2 h ALA 76 Ca 0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3kl2 h ALA 76 Cb 0.43 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3kl2 h ALA 76 CO -0.08 0.64 0.38 -0.91 0.00 0.00 0.00 179.25 179.28 3kl2 h ASN 77 N 0.73 0.81 0.68 0.00 2.35 -1.25 -1.17 115.58 117.73 3kl2 h ASN 77 Ca 0.11 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 3kl2 h ASN 77 Cb 0.71 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.87 3kl2 h ASN 77 CO 0.05 0.65 -0.38 0.74 -1.65 0.00 0.00 177.43 176.85 3kl2 h THR 78 N 0.90 0.23 -0.76 2.81 2.02 -0.85 -1.39 112.91 115.87 3kl2 h THR 78 Ca 0.24 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.59 3kl2 h THR 78 Cb 0.00 0.23 -0.13 0.00 -1.74 0.00 0.00 68.15 66.51 3kl2 h THR 78 CO -0.04 0.00 0.02 0.58 0.37 0.00 0.00 175.52 176.45 3kl2 h VAL 79 N -0.98 0.34 -0.91 3.16 2.07 -0.92 -0.54 116.25 118.47 3kl2 h VAL 79 Ca -0.09 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3kl2 h VAL 79 Cb 0.78 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 3kl2 h VAL 79 CO 0.11 0.02 0.56 0.00 0.02 0.00 0.00 177.57 178.29 3kl2 h ALA 80 N 1.71 1.27 -0.17 1.67 0.00 -0.85 -1.79 119.26 121.10 3kl2 h ALA 80 Ca 0.42 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 55.03 3kl2 h ALA 80 Cb 0.74 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.17 3kl2 h ALA 80 CO -0.66 0.63 -0.70 0.28 0.00 0.00 0.00 179.25 178.80 3kl2 h VAL 81 N 1.25 1.29 -0.23 0.00 2.07 -0.10 -2.56 116.25 117.97 3kl2 h VAL 81 Ca 0.33 -1.91 -0.00 0.00 0.82 0.00 0.00 66.70 65.94 3kl2 h VAL 81 Cb -0.07 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3kl2 h VAL 81 CO -0.06 0.60 0.13 0.58 0.02 0.00 0.00 177.57 178.84 3kl2 h VAL 82 N 0.49 1.11 -0.49 2.57 2.07 -1.02 0.14 116.25 121.12 3kl2 h VAL 82 Ca -0.04 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.24 3kl2 h VAL 82 Cb 1.33 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 3kl2 h VAL 82 CO 0.15 0.10 0.24 0.44 0.02 0.00 0.00 177.57 178.52 3kl2 h ASP 83 N 0.27 0.34 -0.27 0.57 3.32 -1.34 0.18 116.42 119.48 3kl2 h ASP 83 Ca 0.08 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 3kl2 h ASP 83 Cb 0.06 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3kl2 h ASP 83 CO -0.01 0.24 -0.20 0.00 -1.72 0.00 0.00 179.24 177.54 3kl2 h ALA 84 N 1.27 0.93 0.01 3.45 0.00 -1.29 -1.41 119.26 122.22 3kl2 h ALA 84 Ca 0.22 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kl2 h ALA 84 Cb 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kl2 h ALA 84 CO -0.16 0.61 -0.00 0.00 0.00 0.00 0.00 179.25 179.70 3kl2 h ALA 85 N 1.13 -0.01 -0.38 0.00 0.00 -0.21 -1.46 119.26 118.33 3kl2 h ALA 85 Ca 0.09 -0.35 0.08 0.00 0.00 0.00 0.00 54.91 54.73 3kl2 h ALA 85 Cb 0.70 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 3kl2 h ALA 85 CO 0.05 -0.14 -0.19 -0.09 0.00 0.00 0.00 179.25 178.87 3kl2 h ARG 86 N -0.74 -0.13 -1.02 0.00 2.43 -0.71 -0.41 114.38 113.81 3kl2 h ARG 86 Ca -0.00 0.01 0.24 0.00 -0.81 0.00 0.00 59.98 59.42 3kl2 h ARG 86 Cb 0.71 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 30.19 3kl2 h ARG 86 CO 0.00 -0.08 0.64 0.37 -1.51 0.00 0.00 179.97 179.39 3kl2 h GLN 87 N -0.13 0.49 0.00 0.20 5.75 -1.10 -0.40 115.11 119.92 3kl2 h GLN 87 Ca 0.19 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 3kl2 h GLN 87 Cb 0.42 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.86 3kl2 h GLN 87 CO -0.46 0.32 0.00 0.00 -2.65 0.00 0.00 178.83 176.04 3kl2 n ALA 88 N -2.42 2.25 -0.10 3.38 0.00 -0.29 -4.93 120.51 118.41 3kl2 n ALA 88 Ca 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3kl2 n ALA 88 Cb 0.78 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 1.27 0.67 3.69 0.00 0.00 -0.16 -4.89 105.19 105.76 3kl2 n GLY 89 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.14 3.98 0.39 1.61 1.01 -0.48 -4.78 120.40 119.99 3kl2 s VAL 90 Ca 0.00 1.33 -0.27 0.00 0.00 0.00 0.00 61.98 63.04 3kl2 s VAL 90 Cb 0.00 -3.85 -0.10 0.00 0.00 0.00 0.00 36.38 32.42 3kl2 s VAL 90 CO 0.00 -0.01 1.46 -2.16 0.00 0.00 0.00 175.10 174.39 3kl2 s PRO 91 N 2.34 4.00 -0.21 2.72 0.04 -1.26 -3.95 135.00 138.69 3kl2 s PRO 91 Ca 0.60 2.50 -0.07 0.00 0.04 0.00 0.00 61.00 64.06 3kl2 s PRO 91 Cb -0.28 -2.88 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 3kl2 s PRO 91 CO 0.24 -0.59 0.07 0.42 0.04 0.00 0.00 177.00 177.18 3kl2 s ILE 92 N -1.15 4.63 -0.15 0.56 -1.09 -1.26 -1.78 121.20 120.97 3kl2 s ILE 92 Ca 0.55 -0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.91 3kl2 s ILE 92 Cb -0.45 -3.12 0.01 0.00 -1.58 0.00 0.00 42.46 37.33 3kl2 s ILE 92 CO 0.60 0.41 -0.19 -0.04 -1.23 0.00 0.00 174.94 174.49 3kl2 s MET 93 N 0.88 2.78 -0.08 2.79 -1.94 0.05 -0.39 119.30 123.39 3kl2 s MET 93 Ca 0.04 -0.76 -0.06 0.00 -1.71 0.00 0.00 55.69 53.20 3kl2 s MET 93 Cb -0.14 -2.33 -0.04 0.00 2.01 0.00 0.00 34.83 34.33 3kl2 s MET 93 CO 0.03 -0.10 0.16 -1.01 -0.01 0.00 0.00 175.02 174.08 3kl2 s HIS 94 N 1.05 3.59 -0.52 -0.03 3.76 -0.65 0.01 115.29 122.49 3kl2 s HIS 94 Ca -0.02 0.48 0.05 0.00 -0.15 0.00 0.00 55.06 55.41 3kl2 s HIS 94 Cb -0.14 -1.91 0.18 0.00 1.11 0.00 0.00 32.58 31.81 3kl2 s HIS 94 CO -0.06 0.71 0.42 0.00 -0.85 0.00 0.00 174.74 174.96 3kl2 n ALA 95 N 1.65 3.07 -1.98 -1.40 0.00 -0.29 0.03 120.51 121.58 3kl2 n ALA 95 Ca -0.17 -3.66 -0.33 0.00 0.00 0.00 0.00 53.44 49.28 3kl2 n ALA 95 Cb 0.54 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 19.07 3kl2 n ALA 95 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kl2 s PRO 96 N -0.61 4.16 -0.17 0.00 0.04 -1.26 -1.33 135.00 135.83 3kl2 s PRO 96 Ca 0.31 0.92 -0.09 0.00 0.04 0.00 0.00 61.00 62.17 3kl2 s PRO 96 Cb 0.02 -2.41 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 3kl2 s PRO 96 CO -0.18 0.12 0.13 -1.50 0.04 0.00 0.00 177.00 175.60 3kl2 s ILE 97 N -1.98 5.37 0.10 0.56 2.07 -1.26 -4.35 121.20 121.71 3kl2 s ILE 97 Ca 0.56 0.17 -0.01 0.00 -1.41 0.00 0.00 60.65 59.96 3kl2 s ILE 97 Cb -0.11 -3.41 -0.04 0.00 0.13 0.00 0.00 42.46 39.03 3kl2 s ILE 97 CO 0.17 0.50 0.01 0.42 -1.91 0.00 0.00 174.94 174.12 3kl2 s THR 98 N -0.08 0.22 -0.10 4.00 -4.23 -1.22 -4.84 115.64 109.40 3kl2 s THR 98 Ca 0.10 -1.87 -0.07 0.00 -1.18 0.00 0.00 61.69 58.66 3kl2 s THR 98 Cb -0.11 -1.81 0.03 0.00 1.34 0.00 0.00 72.50 71.95 3kl2 s THR 98 CO 0.00 -0.71 0.24 -0.36 -0.54 0.00 0.00 174.62 173.25 3kl2 s PHE 99 N -3.95 -0.29 0.40 3.99 0.08 -0.46 -4.70 117.98 113.06 3kl2 s PHE 99 Ca 0.16 0.71 -0.27 0.00 0.12 0.00 0.00 56.93 57.66 3kl2 s PHE 99 Cb 0.07 0.07 -0.10 0.00 -0.57 0.00 0.00 43.02 42.50 3kl2 s PHE 99 CO -0.03 -0.17 1.38 0.00 -0.10 0.00 0.00 175.22 176.29 3kl2 n ALA 100 N 3.50 1.79 -1.73 5.36 0.00 -1.26 0.21 120.51 128.38 3kl2 n ALA 100 Ca -0.18 0.30 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 3kl2 n ALA 100 Cb 0.56 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 3kl2 n ALA 100 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kl2 n GLU 101 N 0.17 2.61 0.00 0.00 0.00 -1.26 -1.13 120.64 121.02 3kl2 n GLU 101 Ca 0.04 0.93 0.00 0.00 0.00 0.00 0.00 57.16 58.13 3kl2 n GLU 101 Cb 0.39 -2.71 0.00 0.00 0.00 0.00 0.00 31.44 29.12 3kl2 n GLU 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3kl2 n GLY 102 N 2.53 2.61 2.41 8.31 0.00 -1.26 -4.62 105.19 115.17 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 -1.49 -1.16 0.95 1.61 4.01 -0.29 -4.85 117.16 115.95 3kl2 n TYR 103 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 3kl2 n TYR 103 Cb 0.00 -3.29 0.49 0.00 -0.31 0.00 0.00 39.34 36.23 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 -0.86 -0.84 0.01 2.72 0.00 -1.26 -1.79 105.19 103.18 3kl2 n GLY 104 Ca -0.19 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.22 0.26 -4.51 1.61 1.02 -1.26 -4.91 120.64 111.62 3kl2 n GLU 105 Ca 0.10 -0.02 -0.25 0.00 -0.02 0.00 0.00 57.16 56.97 3kl2 n GLU 105 Cb 0.13 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.95 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 -2.76 2.67 0.45 -4.62 1.43 -0.74 -5.10 118.68 110.01 3kl2 s LEU 106 Ca 0.22 -1.15 -0.22 0.00 -1.03 0.00 0.00 54.13 51.94 3kl2 s LEU 106 Cb 0.20 -0.97 -0.11 0.00 0.03 0.00 0.00 46.19 45.33 3kl2 s LEU 106 CO 0.50 -0.16 0.72 1.07 0.23 0.00 0.00 176.35 178.71 3kl2 n THR 107 N -0.72 2.18 0.42 5.49 5.66 -1.26 -4.89 114.28 121.16 3kl2 n THR 107 Ca -0.05 -0.50 0.13 0.00 -3.05 0.00 0.00 64.05 60.58 3kl2 n THR 107 Cb 0.63 -0.79 0.48 0.00 -1.55 0.00 0.00 70.33 69.10 3kl2 n THR 107 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 3kl2 h ARG 108 N 0.96 0.00 -2.19 1.09 3.08 -1.97 -3.34 114.38 112.01 3kl2 h ARG 108 Ca -0.43 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.03 3kl2 h ARG 108 Cb 1.38 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 31.01 3kl2 h ARG 108 CO 0.53 0.00 -0.62 0.72 -1.07 0.00 0.00 179.97 179.52 3kl2 n HIS 109 N -2.48 3.53 -1.64 3.04 8.25 -1.26 -5.10 115.22 119.55 3kl2 n HIS 109 Ca 0.03 -4.11 -0.35 0.00 -0.26 0.00 0.00 57.72 53.03 3kl2 n HIS 109 Cb 0.32 -0.54 0.07 0.00 1.12 0.00 0.00 29.99 30.96 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 -2.56 2.45 0.15 -0.41 0.04 -1.26 -5.06 135.00 128.35 3kl2 s PRO 110 Ca 0.41 1.81 0.02 0.00 0.04 0.00 0.00 61.00 63.28 3kl2 s PRO 110 Cb 0.17 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 3kl2 s PRO 110 CO -0.03 -1.61 -0.03 1.52 0.04 0.00 0.00 177.00 176.89 3kl2 s TYR 111 N -1.81 1.14 0.00 0.56 1.13 -1.26 -4.67 117.35 112.44 3kl2 s TYR 111 Ca 0.76 -0.96 0.00 0.00 -1.41 0.00 0.00 57.07 55.46 3kl2 s TYR 111 Cb -0.30 -0.64 0.00 0.00 -1.10 0.00 0.00 41.96 39.91 3kl2 s TYR 111 CO 0.41 -0.16 0.00 0.41 -2.51 0.00 0.00 175.55 173.70 3kl2 n GLY 112 N -0.19 0.46 0.33 5.49 0.00 -1.26 -3.90 105.19 106.12 3kl2 n GLY 112 Ca -0.08 -0.84 0.07 0.00 0.00 0.00 0.00 46.02 45.18 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 1.01 0.00 -0.61 6.09 -2.03 -1.82 117.51 120.16 3kl2 h ILE 113 Ca 0.00 -0.17 -0.01 0.00 -1.37 0.00 0.00 64.86 63.31 3kl2 h ILE 113 Cb 0.00 0.46 -0.00 0.00 0.47 0.00 0.00 36.82 37.75 3kl2 h ILE 113 CO 0.00 0.09 -0.05 -0.07 -3.07 0.00 0.00 178.15 175.05 3kl2 h LEU 114 N 0.50 0.00 -1.16 2.19 3.38 -1.97 -1.93 115.31 116.32 3kl2 h LEU 114 Ca 0.21 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.27 3kl2 h LEU 114 Cb 0.21 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 3kl2 h LEU 114 CO -0.06 0.05 0.59 0.50 0.09 0.00 0.00 178.44 179.61 3kl2 h LYS 115 N 0.00 0.92 -0.07 1.13 3.64 -1.46 -1.80 116.57 118.93 3kl2 h LYS 115 Ca -0.00 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 3kl2 h LYS 115 Cb 0.58 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3kl2 h LYS 115 CO 0.01 0.61 -0.56 0.78 -2.27 0.00 0.00 179.45 178.02 3kl2 h GLY 116 N 0.95 0.24 0.87 5.01 0.00 -1.49 0.13 103.07 108.78 3kl2 h GLY 116 Ca 0.42 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 3kl2 h GLY 116 CO -0.18 0.25 0.06 -2.08 0.00 0.00 0.00 176.54 174.60 3kl2 h VAL 117 N 0.17 1.18 0.05 4.60 2.07 -1.50 -1.65 116.25 121.18 3kl2 h VAL 117 Ca -0.00 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3kl2 h VAL 117 Cb 1.04 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3kl2 h VAL 117 CO 0.09 0.18 -0.02 0.58 0.02 0.00 0.00 177.57 178.41 3kl2 h VAL 118 N 0.14 1.26 -0.04 2.57 2.07 -0.75 -2.06 116.25 119.45 3kl2 h VAL 118 Ca 0.06 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 3kl2 h VAL 118 Cb 0.22 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 3kl2 h VAL 118 CO -0.00 0.27 -0.20 0.44 0.02 0.00 0.00 177.57 178.10 3kl2 h ASP 119 N -0.56 0.06 -0.32 0.57 3.32 -0.84 -1.50 116.42 117.15 3kl2 h ASP 119 Ca -0.01 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3kl2 h ASP 119 Cb 0.50 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3kl2 h ASP 119 CO 0.01 0.27 0.00 0.61 -1.72 0.00 0.00 179.24 178.41 3kl2 n GLY 120 N -0.87 0.68 4.16 2.75 0.00 -0.62 -4.97 105.19 106.33 3kl2 n GLY 120 Ca -0.02 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 3kl2 n GLY 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kl2 n LYS 121 N 0.57 -3.17 -3.08 1.61 5.02 -0.57 -4.92 118.16 113.63 3kl2 n LYS 121 Ca 0.14 0.37 -0.28 0.00 -2.02 0.00 0.00 58.31 56.53 3kl2 n LYS 121 Cb 0.34 -4.92 -0.02 0.00 -0.02 0.00 0.00 35.03 30.41 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 -3.48 3.52 -1.50 7.82 0.00 -0.87 -4.52 121.76 122.73 3kl2 s ALA 122 Ca 0.55 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.95 3kl2 s ALA 122 Cb -0.30 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.40 3kl2 s ALA 122 CO 0.92 0.01 0.59 1.19 0.00 0.00 0.00 175.76 178.47 3kl2 n PHE 123 N -1.44 -1.89 -2.21 0.00 3.01 -1.26 -4.84 117.46 108.82 3kl2 n PHE 123 Ca -0.01 0.51 -0.42 0.00 1.01 0.00 0.00 57.45 58.54 3kl2 n PHE 123 Cb 0.54 -4.38 -0.03 0.00 -0.01 0.00 0.00 39.48 35.61 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 -3.16 3.65 -0.05 -4.37 1.01 -1.26 -1.35 120.40 114.87 3kl2 s VAL 124 Ca 0.29 1.07 -0.37 0.00 0.00 0.00 0.00 61.98 62.97 3kl2 s VAL 124 Cb -0.13 -3.69 -0.16 0.00 0.00 0.00 0.00 36.38 32.41 3kl2 s VAL 124 CO 0.36 0.01 1.55 1.17 0.00 0.00 0.00 175.10 178.19 3kl2 n LYS 125 N 5.17 1.35 -0.71 2.72 4.81 0.13 -1.64 118.16 129.98 3kl2 n LYS 125 Ca 0.13 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 3kl2 n LYS 125 Cb 0.43 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.31 3kl2 n LYS 125 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kl2 n GLY 126 N 3.35 0.67 3.95 3.14 0.00 -1.26 -4.75 105.19 110.28 3kl2 n GLY 126 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 3kl2 n GLY 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kl2 s THR 127 N -2.15 5.26 0.28 2.61 -4.23 -0.65 -4.98 115.64 111.77 3kl2 s THR 127 Ca 0.00 -0.82 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 3kl2 s THR 127 Cb 0.00 -3.77 0.28 0.00 1.34 0.00 0.00 72.50 70.35 3kl2 s THR 127 CO 0.00 -0.18 1.68 -0.25 -0.54 0.00 0.00 174.62 175.33 3kl2 h TRP 128 N 1.79 0.45 -0.72 3.99 7.01 -1.96 -0.09 115.95 126.42 3kl2 h TRP 128 Ca -0.50 0.04 0.12 0.00 2.11 0.00 0.00 58.89 60.67 3kl2 h TRP 128 Cb 1.21 -0.06 -0.08 0.00 -2.10 0.00 0.00 29.16 28.12 3kl2 h TRP 128 CO 0.50 -0.11 0.30 0.78 -2.79 0.00 0.00 178.44 177.13 3kl2 h GLY 129 N 0.30 1.08 2.00 2.65 0.00 -1.93 -1.09 103.07 106.09 3kl2 h GLY 129 Ca 0.51 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 3kl2 h GLY 129 CO -0.56 -0.04 -0.04 0.00 0.00 0.00 0.00 176.54 175.90 3kl2 h ALA 130 N 1.50 1.00 -2.35 3.60 0.00 -1.24 -1.01 119.26 120.77 3kl2 h ALA 130 Ca 0.38 -0.04 -0.48 0.00 0.00 0.00 0.00 54.91 54.77 3kl2 h ALA 130 Cb 0.52 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.35 3kl2 h ALA 130 CO -0.35 0.05 0.39 0.00 0.00 0.00 0.00 179.25 179.33 3kl2 s ALA 131 N -3.62 2.81 0.27 0.00 0.00 -0.41 -4.77 121.76 116.04 3kl2 s ALA 131 Ca 0.02 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 3kl2 s ALA 131 Cb 0.09 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.86 3kl2 s ALA 131 CO 0.57 -0.53 1.42 0.42 0.00 0.00 0.00 175.76 177.64 3kl2 s ILE 132 N -2.16 2.62 0.38 0.00 1.01 -1.26 -1.80 121.20 119.99 3kl2 s ILE 132 Ca 0.66 0.54 -0.26 0.00 0.00 0.00 0.00 60.65 61.59 3kl2 s ILE 132 Cb -0.17 -3.35 -0.11 0.00 0.01 0.00 0.00 42.46 38.85 3kl2 s ILE 132 CO 0.27 0.10 1.20 0.55 0.00 0.00 0.00 174.94 177.05 3kl2 n VAL 133 N 1.95 2.31 -0.31 2.92 3.14 -0.43 -4.78 118.33 123.14 3kl2 n VAL 133 Ca 0.05 -0.50 0.05 0.00 -2.96 0.00 0.00 64.34 60.98 3kl2 n VAL 133 Cb 0.40 -1.43 0.20 0.00 -1.06 0.00 0.00 33.84 31.96 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 2.10 0.68 0.82 6.55 3.32 -1.92 -1.00 116.42 126.96 3kl2 h ASP 134 Ca -0.46 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3kl2 h ASP 134 Cb 1.30 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3kl2 h ASP 134 CO 0.60 0.35 0.00 -1.84 -1.72 0.00 0.00 179.24 176.63 3kl2 n GLU 135 N -4.76 0.11 -0.43 3.56 0.28 -1.26 -2.18 120.64 115.96 3kl2 n GLU 135 Ca 0.16 0.03 0.06 0.00 -0.16 0.00 0.00 57.16 57.25 3kl2 n GLU 135 Cb 0.35 -1.50 0.21 0.00 1.43 0.00 0.00 31.44 31.93 3kl2 n GLU 135 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3kl2 n LEU 136 N -1.44 3.46 -4.63 -1.84 4.77 -0.40 -5.01 117.00 111.91 3kl2 n LEU 136 Ca 0.08 -3.26 -0.42 0.00 -0.03 0.00 0.00 56.01 52.39 3kl2 n LEU 136 Cb 0.29 -0.53 0.01 0.00 -2.33 0.00 0.00 43.42 40.86 3kl2 n LEU 136 CO 0.24 0.85 0.65 0.00 -1.33 0.00 0.00 177.39 177.80 3kl2 n ALA 137 N -0.93 0.38 -1.81 -1.18 0.00 -0.93 -4.86 120.51 111.18 3kl2 n ALA 137 Ca 0.22 0.25 -0.42 0.00 0.00 0.00 0.00 53.44 53.50 3kl2 n ALA 137 Cb 0.85 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 3kl2 n ALA 137 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kl2 s PRO 138 N -2.00 4.16 0.31 0.00 0.04 -1.26 -5.02 135.00 131.23 3kl2 s PRO 138 Ca 0.62 2.51 0.09 0.00 0.04 0.00 0.00 61.00 64.26 3kl2 s PRO 138 Cb -0.56 -3.10 -0.06 0.00 0.04 0.00 0.00 34.50 30.81 3kl2 s PRO 138 CO 0.57 -0.69 -0.10 0.14 0.04 0.00 0.00 177.00 176.97 3kl2 s VAL 139 N 1.14 2.05 -0.68 -0.36 -7.23 -1.26 -4.95 120.40 109.11 3kl2 s VAL 139 Ca 0.73 -2.20 -0.15 0.00 -1.81 0.00 0.00 61.98 58.55 3kl2 s VAL 139 Cb -0.47 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 33.96 3kl2 s VAL 139 CO 0.32 -0.27 0.41 -0.46 -0.31 0.00 0.00 175.10 174.79 3kl2 n ASN 140 N -0.69 -2.71 -0.92 4.85 2.04 -1.26 -0.27 115.26 116.31 3kl2 n ASN 140 Ca -0.05 -0.75 -0.12 0.00 -0.44 0.00 0.00 54.58 53.21 3kl2 n ASN 140 Cb 0.63 -0.99 -0.05 0.00 -2.53 0.00 0.00 39.78 36.84 3kl2 n ASN 140 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3kl2 n GLY 141 N -1.51 1.23 3.43 4.83 0.00 -1.26 -4.98 105.19 106.92 3kl2 n GLY 141 Ca -0.12 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.67 -1.43 -4.71 1.61 8.00 0.63 -4.81 116.55 115.18 3kl2 n ASP 142 Ca -0.12 0.75 -0.35 0.00 0.71 0.00 0.00 54.79 55.78 3kl2 n ASP 142 Cb 0.50 -1.11 -0.09 0.00 -0.02 0.00 0.00 41.12 40.40 3kl2 n ASP 142 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kl2 s ILE 143 N -1.72 4.72 -0.38 0.53 1.01 0.48 -4.89 121.20 120.94 3kl2 s ILE 143 Ca 0.66 -0.08 -0.08 0.00 0.00 0.00 0.00 60.65 61.15 3kl2 s ILE 143 Cb -0.48 -3.05 0.06 0.00 0.01 0.00 0.00 42.46 39.00 3kl2 s ILE 143 CO 0.57 0.56 0.20 -0.69 0.00 0.00 0.00 174.94 175.57 3kl2 s VAL 144 N -0.48 4.10 0.37 2.92 1.01 -1.26 -1.64 120.40 125.42 3kl2 s VAL 144 Ca 0.10 -1.25 -0.27 0.00 0.00 0.00 0.00 61.98 60.56 3kl2 s VAL 144 Cb -0.12 -3.42 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 3kl2 s VAL 144 CO 0.02 -0.36 1.34 -0.63 0.00 0.00 0.00 175.10 175.47 3kl2 s ILE 145 N 1.43 2.53 0.15 2.22 -1.09 0.10 -4.96 121.20 121.58 3kl2 s ILE 145 Ca 0.01 0.51 0.11 0.00 -2.23 0.00 0.00 60.65 59.05 3kl2 s ILE 145 Cb -0.21 -3.31 -0.04 0.00 -1.58 0.00 0.00 42.46 37.31 3kl2 s ILE 145 CO 0.03 0.10 -0.26 -1.61 -1.23 0.00 0.00 174.94 171.97 3kl2 s GLU 146 N -2.05 1.45 0.00 2.79 2.02 -1.26 -4.42 118.70 117.23 3kl2 s GLU 146 Ca 0.53 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 54.12 3kl2 s GLU 146 Cb -0.40 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 31.94 3kl2 s GLU 146 CO 0.53 0.43 0.00 0.41 0.02 0.00 0.00 175.26 176.66 3kl2 n GLY 147 N 0.70 2.36 3.68 -1.39 0.00 -1.26 -2.42 105.19 106.86 3kl2 n GLY 147 Ca -0.16 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.35 3kl2 n GLY 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kl2 n LYS 148 N -0.55 1.88 0.00 1.61 4.81 -1.23 -4.68 118.16 120.01 3kl2 n LYS 148 Ca 0.00 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 3kl2 n LYS 148 Cb 0.00 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 32.57 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 5.77 3.23 -0.95 1.64 5.12 -1.26 -3.44 116.66 126.76 3kl2 n ARG 149 Ca 0.23 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 3kl2 n ARG 149 Cb 0.25 -0.33 0.00 0.00 -1.16 0.00 0.00 32.46 31.22 3kl2 n ARG 149 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kl2 n GLY 150 N 0.47 5.90 0.12 -0.13 0.00 -1.26 -5.04 105.19 105.25 3kl2 n GLY 150 Ca 0.00 -2.03 -0.22 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 2.16 -4.63 0.99 7.99 -1.26 -4.83 117.00 117.42 3kl2 n LEU 151 Ca 0.00 0.33 -0.43 0.00 -0.01 0.00 0.00 56.01 55.90 3kl2 n LEU 151 Cb 0.00 -1.00 -0.02 0.00 -0.11 0.00 0.00 43.42 42.28 3kl2 n LEU 151 CO 0.00 0.51 1.30 -0.62 -1.51 0.00 0.00 177.39 177.08 3kl2 s ASP 152 N -6.96 6.48 0.38 -1.43 -1.08 -1.26 -4.39 116.67 108.41 3kl2 s ASP 152 Ca -0.28 1.54 0.10 0.00 -0.52 0.00 0.00 52.55 53.39 3kl2 s ASP 152 Cb 0.07 -2.53 0.87 0.00 -1.46 0.00 0.00 42.92 39.86 3kl2 s ASP 152 CO 0.64 -1.19 1.93 0.74 0.52 0.00 0.00 175.17 177.81 3kl2 h THR 153 N 6.06 0.90 0.00 1.71 2.02 -1.88 -0.28 112.91 121.45 3kl2 h THR 153 Ca -0.32 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3kl2 h THR 153 Cb 1.14 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3kl2 h THR 153 CO 1.01 0.11 0.00 -0.26 0.37 0.00 0.00 175.52 176.75 3kl2 h PHE 154 N 0.62 0.00 0.01 3.16 0.04 -1.92 -3.24 116.94 115.61 3kl2 h PHE 154 Ca 0.36 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.94 3kl2 h PHE 154 Cb 0.55 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.68 3kl2 h PHE 154 CO -0.00 0.00 -0.88 0.00 -0.60 0.00 0.00 178.31 176.83 3kl2 h ALA 155 N 2.08 0.55 0.00 2.45 0.00 -1.44 -3.39 119.26 119.51 3kl2 h ALA 155 Ca 0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 54.91 54.05 3kl2 h ALA 155 Cb 0.51 -0.11 -0.21 0.00 0.00 0.00 0.00 17.79 17.98 3kl2 h ALA 155 CO 0.00 1.01 -0.77 -1.13 0.00 0.00 0.00 179.25 178.36 3kl2 n SER 156 N -3.57 0.69 -3.87 0.00 3.41 -1.25 -5.06 113.62 103.97 3kl2 n SER 156 Ca -0.02 -2.12 -0.24 0.00 -0.26 0.00 0.00 58.87 56.23 3kl2 n SER 156 Cb 0.82 -0.28 -0.08 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.25 0.39 -0.53 6.66 -4.23 -1.22 -3.47 115.64 112.99 3kl2 s THR 157 Ca 0.21 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.80 3kl2 s THR 157 Cb 0.23 -2.36 0.50 0.00 1.34 0.00 0.00 72.50 72.21 3kl2 s THR 157 CO -0.09 0.00 1.28 -0.46 -0.54 0.00 0.00 174.62 174.80 3kl2 n ASN 158 N -1.42 3.88 -0.04 3.99 0.23 -1.02 -4.61 115.26 116.28 3kl2 n ASN 158 Ca -0.02 -2.59 -0.11 0.00 -0.53 0.00 0.00 54.58 51.33 3kl2 n ASN 158 Cb 0.64 -0.62 -0.06 0.00 -2.08 0.00 0.00 39.78 37.66 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 2.38 0.20 -0.54 -4.53 5.85 -1.85 -1.93 115.31 114.89 3kl2 h LEU 159 Ca 0.02 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3kl2 h LEU 159 Cb 1.44 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 3kl2 h LEU 159 CO 0.32 0.35 0.34 -0.78 -0.34 0.00 0.00 178.44 178.33 3kl2 h ASP 160 N 0.04 0.64 -0.45 1.25 3.58 -1.90 -0.06 116.42 119.51 3kl2 h ASP 160 Ca 0.04 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 3kl2 h ASP 160 Cb 0.22 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 3kl2 h ASP 160 CO -0.00 0.49 0.27 0.15 -2.88 0.00 0.00 179.24 177.27 3kl2 h PHE 161 N 0.73 0.59 -0.24 0.28 3.57 -1.86 -0.82 116.94 119.18 3kl2 h PHE 161 Ca 0.20 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 3kl2 h PHE 161 Cb -0.04 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.50 3kl2 h PHE 161 CO -0.03 0.41 -0.22 0.82 -2.23 0.00 0.00 178.31 177.06 3kl2 h ILE 162 N 0.60 1.31 -0.23 1.41 2.04 -1.06 0.15 117.51 121.72 3kl2 h ILE 162 Ca 0.16 -1.37 0.01 0.00 1.00 0.00 0.00 64.86 64.66 3kl2 h ILE 162 Cb -0.01 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3kl2 h ILE 162 CO -0.03 0.43 0.13 -0.07 0.00 0.00 0.00 178.15 178.61 3kl2 h LEU 163 N 0.29 0.22 -0.46 1.44 3.38 -0.84 -0.92 115.31 118.42 3kl2 h LEU 163 Ca 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3kl2 h LEU 163 Cb 0.76 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3kl2 h LEU 163 CO 0.06 0.16 0.06 0.03 0.09 0.00 0.00 178.44 178.84 3kl2 h ARG 164 N 0.28 0.77 -0.74 1.13 2.47 -1.11 -0.65 114.38 116.53 3kl2 h ARG 164 Ca 0.09 -0.21 -0.00 0.00 -1.26 0.00 0.00 59.98 58.60 3kl2 h ARG 164 Cb -0.00 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.19 3kl2 h ARG 164 CO -0.04 0.79 0.46 1.03 0.56 0.00 0.00 179.97 182.77 3kl2 h SER 165 N 0.63 0.87 1.02 7.04 0.87 -0.49 -2.23 113.55 121.26 3kl2 h SER 165 Ca 0.14 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3kl2 h SER 165 Cb 0.41 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 3kl2 h SER 165 CO 0.01 0.66 0.00 0.29 -0.53 0.00 0.00 176.83 177.27 3kl2 n LYS 166 N -4.53 0.16 -1.49 2.24 5.02 -0.37 -4.91 118.16 114.29 3kl2 n LYS 166 Ca 0.07 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 3kl2 n LYS 166 Cb 0.04 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 3kl2 n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kl2 n GLY 167 N 0.72 0.81 3.72 0.72 0.00 -0.76 -4.97 105.19 105.43 3kl2 n GLY 167 Ca 0.04 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.03 4.99 -0.26 1.61 1.01 -0.32 -4.55 120.40 120.85 3kl2 s VAL 168 Ca 0.00 1.52 0.03 0.00 0.00 0.00 0.00 61.98 63.53 3kl2 s VAL 168 Cb 0.00 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.31 3kl2 s VAL 168 CO 0.00 0.26 0.40 -0.90 0.00 0.00 0.00 175.10 174.86 3kl2 n ASP 169 N 3.66 0.79 -3.96 3.32 5.68 -0.30 -4.66 116.55 121.09 3kl2 n ASP 169 Ca -0.01 -0.90 -0.26 0.00 -0.50 0.00 0.00 54.79 53.13 3kl2 n ASP 169 Cb 0.51 0.39 -0.17 0.00 -1.14 0.00 0.00 41.12 40.72 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 -0.63 1.05 -0.00 2.12 2.01 -0.78 0.25 115.64 119.65 3kl2 s THR 170 Ca 0.02 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 61.74 3kl2 s THR 170 Cb 0.02 -1.02 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 3kl2 s THR 170 CO 0.06 0.36 -0.24 0.27 -0.69 0.00 0.00 174.62 174.38 3kl2 s ILE 171 N 1.22 2.24 -0.21 1.82 -4.36 0.28 -1.43 121.20 120.76 3kl2 s ILE 171 Ca -0.04 -1.14 -0.00 0.00 -0.26 0.00 0.00 60.65 59.20 3kl2 s ILE 171 Cb -0.14 -1.82 0.02 0.00 1.25 0.00 0.00 42.46 41.76 3kl2 s ILE 171 CO -0.03 0.51 -0.13 -0.69 0.24 0.00 0.00 174.94 174.84 3kl2 s VAL 172 N -0.70 2.51 -0.08 8.37 1.01 -0.45 -0.52 120.40 130.55 3kl2 s VAL 172 Ca 0.11 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 3kl2 s VAL 172 Cb -0.10 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 3kl2 s VAL 172 CO 0.00 0.41 -0.01 -0.76 0.00 0.00 0.00 175.10 174.74 3kl2 s LEU 173 N 1.33 3.50 0.20 3.92 1.43 -0.43 0.06 118.68 128.69 3kl2 s LEU 173 Ca 0.03 0.11 -0.10 0.00 -1.03 0.00 0.00 54.13 53.14 3kl2 s LEU 173 Cb -0.14 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 3kl2 s LEU 173 CO -0.09 0.37 0.34 -0.83 0.23 0.00 0.00 176.35 176.38 3kl2 s GLY 174 N -0.83 0.62 0.00 -3.19 0.00 -0.90 -1.87 107.32 101.15 3kl2 s GLY 174 Ca 0.13 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.87 3kl2 s GLY 174 CO 0.02 -0.82 0.00 0.61 0.00 0.00 0.00 173.10 172.91 3kl2 n GLY 175 N -0.29 0.17 3.13 0.20 0.00 -0.26 -0.58 105.19 107.57 3kl2 n GLY 175 Ca -0.04 -1.88 -0.20 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.47 1.17 -0.04 1.61 0.08 -0.86 -2.14 117.98 117.34 3kl2 s PHE 176 Ca 0.00 -0.35 -0.02 0.00 0.12 0.00 0.00 56.93 56.68 3kl2 s PHE 176 Cb 0.00 -0.70 -0.04 0.00 -0.57 0.00 0.00 43.02 41.71 3kl2 s PHE 176 CO 0.00 0.03 0.10 -0.51 -0.10 0.00 0.00 175.22 174.74 3kl2 s LEU 177 N -1.10 4.04 0.21 -0.37 1.43 -1.26 -4.24 118.68 117.38 3kl2 s LEU 177 Ca 0.01 0.24 -0.20 0.00 -1.03 0.00 0.00 54.13 53.16 3kl2 s LEU 177 Cb -0.08 -2.25 0.17 0.00 0.03 0.00 0.00 46.19 44.07 3kl2 s LEU 177 CO 0.01 0.31 1.57 0.74 0.23 0.00 0.00 176.35 179.20 3kl2 h THR 178 N 3.39 0.07 -0.72 5.49 2.02 -1.30 0.29 112.91 122.16 3kl2 h THR 178 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3kl2 h THR 178 Cb 1.19 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3kl2 h THR 178 CO 0.62 0.00 0.00 -0.46 0.37 0.00 0.00 175.52 176.05 3kl2 n ASN 179 N -5.45 4.13 0.00 4.18 6.94 -1.26 -1.72 115.26 122.09 3kl2 n ASN 179 Ca 0.07 -2.11 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 3kl2 n ASN 179 Cb 0.38 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 37.28 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 0.93 0.49 -0.47 0.00 2.07 -1.15 -2.43 116.25 115.67 3kl2 h VAL 182 Ca 0.15 -0.28 0.08 0.00 0.82 0.00 0.00 66.70 67.47 3kl2 h VAL 182 Cb 0.67 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 3kl2 h VAL 182 CO 0.05 0.05 0.07 -0.08 0.02 0.00 0.00 177.57 177.68 3kl2 h GLU 183 N -0.82 0.19 -0.84 1.57 4.81 -1.21 -1.36 114.58 116.92 3kl2 h GLU 183 Ca -0.07 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.23 3kl2 h GLU 183 Cb 0.57 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.84 3kl2 h GLU 183 CO 0.11 0.13 0.50 0.77 -0.73 0.00 0.00 179.01 179.79 3kl2 h SER 184 N 0.20 0.76 -0.05 1.04 0.02 -0.63 0.47 113.55 115.36 3kl2 h SER 184 Ca 0.24 0.03 -0.19 0.00 -0.84 0.00 0.00 61.79 61.03 3kl2 h SER 184 Cb 0.32 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3kl2 h SER 184 CO -0.33 0.46 -0.67 0.74 -1.14 0.00 0.00 176.83 175.90 3kl2 h THR 185 N 0.88 1.31 0.15 -2.27 2.02 -1.12 -1.94 112.91 111.93 3kl2 h THR 185 Ca 0.38 -1.92 0.01 0.00 0.77 0.00 0.00 66.41 65.66 3kl2 h THR 185 Cb 0.26 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 3kl2 h THR 185 CO -0.21 0.60 -0.17 -0.03 0.37 0.00 0.00 175.52 176.08 3kl2 h MET 186 N 0.49 -0.35 -0.41 6.66 -1.53 -0.80 0.15 114.93 119.14 3kl2 h MET 186 Ca -0.02 0.02 0.06 0.00 -3.44 0.00 0.00 59.70 56.32 3kl2 h MET 186 Cb 1.26 0.08 -0.05 0.00 -0.55 0.00 0.00 31.60 32.34 3kl2 h MET 186 CO 0.13 -0.24 0.12 0.00 0.14 0.00 0.00 176.91 177.06 3kl2 h ARG 187 N -0.37 0.26 -0.03 0.39 3.08 -0.69 0.02 114.38 117.04 3kl2 h ARG 187 Ca 0.01 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 3kl2 h ARG 187 Cb 0.36 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3kl2 h ARG 187 CO -0.06 0.17 -0.61 1.15 -1.07 0.00 0.00 179.97 179.54 3kl2 h THR 188 N 0.26 1.42 -0.17 2.04 2.02 -1.32 -2.49 112.91 114.68 3kl2 h THR 188 Ca 0.19 -2.06 -0.00 0.00 0.77 0.00 0.00 66.41 65.31 3kl2 h THR 188 Cb 0.20 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 3kl2 h THR 188 CO -0.22 0.60 0.10 1.23 0.37 0.00 0.00 175.52 177.60 3kl2 h GLY 189 N 1.69 0.24 0.38 2.16 0.00 0.65 -1.44 103.07 106.75 3kl2 h GLY 189 Ca -0.01 -0.10 0.10 0.00 0.00 0.00 0.00 47.33 47.32 3kl2 h GLY 189 CO 0.09 0.10 0.27 -1.82 0.00 0.00 0.00 176.54 175.18 3kl2 h TYR 190 N 0.19 0.48 -0.03 5.60 3.20 -0.88 -2.35 116.97 123.18 3kl2 h TYR 190 Ca 0.06 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 3kl2 h TYR 190 Cb 0.02 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 3kl2 h TYR 190 CO -0.05 0.13 -0.40 0.93 -1.64 0.00 0.00 178.16 177.13 3kl2 h GLU 191 N 0.47 0.05 -0.50 1.82 4.39 -0.98 -2.09 114.58 117.74 3kl2 h GLU 191 Ca 0.33 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.01 3kl2 h GLU 191 Cb 0.41 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3kl2 h GLU 191 CO -0.31 0.45 0.00 0.54 -1.16 0.00 0.00 179.01 178.53 3kl2 n ARG 192 N -4.05 2.12 -0.91 2.33 1.74 -0.59 -4.91 116.66 112.39 3kl2 n ARG 192 Ca -0.02 -1.29 0.00 0.00 -0.77 0.00 0.00 57.85 55.77 3kl2 n ARG 192 Cb 0.44 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 3kl2 n ARG 192 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kl2 n GLY 193 N 0.79 0.75 3.79 -0.13 0.00 -0.79 -5.02 105.19 104.58 3kl2 n GLY 193 Ca 0.12 0.00 -0.34 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 -2.93 2.88 -0.33 1.61 0.08 -0.92 -4.98 117.98 113.38 3kl2 s PHE 194 Ca 0.00 1.56 -0.23 0.00 0.12 0.00 0.00 56.93 58.38 3kl2 s PHE 194 Cb 0.00 -3.13 0.00 0.00 -0.57 0.00 0.00 43.02 39.32 3kl2 s PHE 194 CO 0.00 -1.13 0.77 0.50 -0.10 0.00 0.00 175.22 175.26 3kl2 s ARG 195 N -3.39 3.87 -0.26 0.44 3.52 0.14 -4.52 118.95 118.74 3kl2 s ARG 195 Ca 0.68 0.44 -0.09 0.00 -0.13 0.00 0.00 55.73 56.63 3kl2 s ARG 195 Cb -0.19 -3.76 -0.04 0.00 -1.56 0.00 0.00 34.95 29.40 3kl2 s ARG 195 CO 0.25 -0.74 0.13 0.08 -0.81 0.00 0.00 175.30 174.22 3kl2 s VAL 196 N 2.98 4.86 -0.17 7.11 1.01 -1.26 -0.55 120.40 134.38 3kl2 s VAL 196 Ca 0.31 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 3kl2 s VAL 196 Cb -0.14 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 3kl2 s VAL 196 CO 0.14 0.30 0.01 -0.63 0.00 0.00 0.00 175.10 174.92 3kl2 s ILE 197 N 1.63 4.28 -0.18 2.22 1.01 0.32 -0.19 121.20 130.30 3kl2 s ILE 197 Ca 0.07 -0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.45 3kl2 s ILE 197 Cb -0.15 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 3kl2 s ILE 197 CO 0.07 0.48 -0.01 0.42 0.00 0.00 0.00 174.94 175.90 3kl2 s THR 198 N 0.33 3.99 -0.77 2.92 -4.23 -0.84 -1.31 115.64 115.73 3kl2 s THR 198 Ca -0.01 -0.31 -0.23 0.00 -1.18 0.00 0.00 61.69 59.96 3kl2 s THR 198 Cb -0.13 -2.77 0.07 0.00 1.34 0.00 0.00 72.50 71.00 3kl2 s THR 198 CO 0.02 0.46 1.13 -0.76 -0.54 0.00 0.00 174.62 174.93 3kl2 s LEU 199 N 0.63 4.09 0.57 4.79 1.43 -0.78 -0.11 118.68 129.30 3kl2 s LEU 199 Ca -0.01 -1.11 0.35 0.00 -1.03 0.00 0.00 54.13 52.33 3kl2 s LEU 199 Cb -0.14 -2.47 1.64 0.00 0.03 0.00 0.00 46.19 45.25 3kl2 s LEU 199 CO 0.02 -1.48 2.09 0.71 0.23 0.00 0.00 176.35 177.92 3kl2 h THR 200 N 6.07 0.10 -0.29 5.49 1.35 -1.33 -1.19 112.91 123.12 3kl2 h THR 200 Ca -0.14 -0.42 -0.02 0.00 -0.55 0.00 0.00 66.41 65.28 3kl2 h THR 200 Cb 1.05 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 3kl2 h THR 200 CO 1.23 0.03 0.00 -0.90 -0.25 0.00 0.00 175.52 175.63 3kl2 n ASP 201 N -3.17 3.86 -1.35 5.36 5.75 -1.26 -4.46 116.55 121.28 3kl2 n ASP 201 Ca -0.01 -3.08 0.01 0.00 -0.01 0.00 0.00 54.79 51.71 3kl2 n ASP 201 Cb 0.24 -0.56 0.10 0.00 -1.03 0.00 0.00 41.12 39.87 3kl2 n ASP 201 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kl2 s VAL 203 N -2.20 1.44 0.09 0.00 -7.23 -1.21 -1.10 120.40 110.19 3kl2 s VAL 203 Ca 0.37 -1.83 -0.05 0.00 -1.81 0.00 0.00 61.98 58.65 3kl2 s VAL 203 Cb 0.38 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 35.63 3kl2 s VAL 203 CO -0.09 -0.45 0.12 0.00 -0.31 0.00 0.00 175.10 174.37 3kl2 s ALA 204 N -2.31 0.18 0.31 1.32 0.00 -0.91 -4.87 121.76 115.49 3kl2 s ALA 204 Ca 0.12 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.18 3kl2 s ALA 204 Cb -0.04 0.53 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 3kl2 s ALA 204 CO 0.04 -0.49 0.23 0.00 0.00 0.00 0.00 175.76 175.55 3kl2 s ALA 205 N -3.92 1.85 -2.16 0.00 0.00 -1.26 -1.05 121.76 115.22 3kl2 s ALA 205 Ca 0.10 -1.93 0.31 0.00 0.00 0.00 0.00 51.96 50.44 3kl2 s ALA 205 Cb 0.06 1.38 1.62 0.00 0.00 0.00 0.00 23.12 26.18 3kl2 s ALA 205 CO -0.07 -0.61 2.07 0.25 0.00 0.00 0.00 175.76 177.39 3kl2 n THR 206 N -0.59 0.00 -3.74 0.00 -2.24 -1.26 -4.43 114.28 102.02 3kl2 n THR 206 Ca 0.05 -0.08 -0.13 0.00 -2.27 0.00 0.00 64.05 61.62 3kl2 n THR 206 Cb 0.63 -0.17 -0.10 0.00 -2.10 0.00 0.00 70.33 68.59 3kl2 n THR 206 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kl2 s SER 207 N -2.01 -0.40 0.16 3.42 0.15 -1.26 -4.76 113.70 109.00 3kl2 s SER 207 Ca 0.44 0.78 -0.03 0.00 0.70 0.00 0.00 55.95 57.84 3kl2 s SER 207 Cb 0.22 0.78 -0.01 0.00 -1.71 0.00 0.00 66.02 65.30 3kl2 s SER 207 CO 0.36 -0.13 1.38 -0.61 1.20 0.00 0.00 173.24 175.44 3kl2 h GLN 208 N 5.56 0.43 0.44 5.44 5.75 -1.97 -2.00 115.11 128.76 3kl2 h GLN 208 Ca -0.27 -0.39 -0.01 0.00 -0.15 0.00 0.00 58.65 57.84 3kl2 h GLN 208 Cb 1.18 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.81 3kl2 h GLN 208 CO 0.26 1.03 -0.36 1.49 -2.65 0.00 0.00 178.83 178.60 3kl2 h GLU 209 N 0.28 -0.77 -0.38 1.69 4.81 -1.99 0.20 114.58 118.41 3kl2 h GLU 209 Ca -0.05 0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 3kl2 h GLU 209 Cb 1.40 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.95 3kl2 h GLU 209 CO 0.14 -0.52 -0.27 0.93 -0.73 0.00 0.00 179.01 178.57 3kl2 h GLU 210 N -0.80 0.78 0.06 1.92 5.08 -1.98 -1.64 114.58 118.00 3kl2 h GLU 210 Ca -0.04 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.00 3kl2 h GLU 210 Cb 0.70 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 3kl2 h GLU 210 CO -0.02 0.96 -0.43 1.25 -1.00 0.00 0.00 179.01 179.77 3kl2 h HIS 211 N 0.67 -1.22 -0.93 4.33 2.76 -1.28 -1.90 115.15 117.58 3kl2 h HIS 211 Ca 0.08 0.04 0.07 0.00 -2.20 0.00 0.00 60.37 58.36 3kl2 h HIS 211 Cb 0.79 0.53 -0.07 0.00 1.55 0.00 0.00 27.41 30.21 3kl2 h HIS 211 CO 0.04 -0.51 0.59 -0.91 -1.30 0.00 0.00 177.93 175.83 3kl2 h ASN 212 N -0.62 0.92 0.56 3.26 4.21 -0.11 -1.86 115.58 121.94 3kl2 h ASN 212 Ca 0.03 0.02 -0.26 0.00 1.21 0.00 0.00 56.30 57.30 3kl2 h ASN 212 Cb 0.67 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.70 3kl2 h ASN 212 CO -0.29 0.58 -1.17 0.78 -1.29 0.00 0.00 177.43 176.04 3kl2 h ASN 213 N 1.05 0.45 -0.22 5.81 2.35 -1.28 -0.29 115.58 123.46 3kl2 h ASN 213 Ca 0.41 -0.45 0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3kl2 h ASN 213 Cb 0.19 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 3kl2 h ASN 213 CO -0.18 1.33 0.10 0.00 -1.65 0.00 0.00 177.43 177.03 3kl2 h ALA 214 N 0.62 0.26 -0.58 -0.83 0.00 -1.27 0.20 119.26 117.66 3kl2 h ALA 214 Ca -0.12 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3kl2 h ALA 214 Cb 1.88 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 3kl2 h ALA 214 CO 0.20 -0.31 0.09 0.82 0.00 0.00 0.00 179.25 180.04 3kl2 h ILE 215 N 0.22 1.25 0.16 0.00 2.04 -1.21 0.12 117.51 120.09 3kl2 h ILE 215 Ca 0.09 -0.96 -0.30 0.00 1.00 0.00 0.00 64.86 64.70 3kl2 h ILE 215 Cb 0.03 0.71 0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3kl2 h ILE 215 CO -0.07 0.35 -1.45 0.28 0.00 0.00 0.00 178.15 177.26 3kl2 h SER 216 N 0.88 0.53 0.07 1.72 0.02 -0.88 -3.37 113.55 112.52 3kl2 h SER 216 Ca 0.18 -0.90 -0.38 0.00 -0.84 0.00 0.00 61.79 59.85 3kl2 h SER 216 Cb 0.40 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.72 3kl2 h SER 216 CO 0.01 1.66 -2.23 -1.22 -1.14 0.00 0.00 176.83 173.90 3kl2 n TYR 217 N -3.82 0.62 -0.13 3.45 4.01 0.68 -4.62 117.16 117.36 3kl2 n TYR 217 Ca -0.22 0.13 -0.19 0.00 -0.16 0.00 0.00 57.90 57.46 3kl2 n TYR 217 Cb 0.97 -1.08 -0.12 0.00 -0.31 0.00 0.00 39.34 38.80 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 -3.35 2.01 -0.15 7.72 8.00 -0.49 -4.47 116.55 125.82 3kl2 n ASP 218 Ca -0.38 -0.09 -0.02 0.00 0.71 0.00 0.00 54.79 55.01 3kl2 n ASP 218 Cb 1.02 -0.44 0.21 0.00 -0.02 0.00 0.00 41.12 41.90 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 -0.09 0.87 0.00 1.24 0.05 -1.18 -1.71 116.94 116.11 3kl2 h PHE 219 Ca -0.58 -0.05 0.00 0.00 3.82 0.00 0.00 57.97 61.16 3kl2 h PHE 219 Cb 1.86 -0.27 0.00 0.00 2.00 0.00 0.00 35.95 39.54 3kl2 h PHE 219 CO 0.02 0.67 0.00 -1.35 -0.18 0.00 0.00 178.31 177.47 3kl2 h PRO 220 N 0.85 0.00 0.03 1.51 0.11 -1.79 -1.60 132.00 131.12 3kl2 h PRO 220 Ca 0.20 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.08 3kl2 h PRO 220 Cb 0.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 3kl2 h PRO 220 CO -0.02 0.00 -1.08 0.52 -0.21 0.00 0.00 178.00 177.21 3kl2 h MET 221 N 0.00 0.07 0.00 1.05 2.86 -1.53 -3.38 114.93 114.00 3kl2 h MET 221 Ca 0.00 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3kl2 h MET 221 Cb 0.16 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.86 3kl2 h MET 221 CO 0.00 1.05 0.00 1.19 1.06 0.00 0.00 176.91 180.21 3kl2 n PHE 222 N -3.39 0.00 -3.83 -0.22 3.72 -1.12 -5.09 117.46 107.53 3kl2 n PHE 222 Ca -0.03 -0.27 -0.07 0.00 -0.05 0.00 0.00 57.45 57.04 3kl2 n PHE 222 Cb 0.96 -0.03 -0.00 0.00 -0.94 0.00 0.00 39.48 39.47 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 -0.53 -0.15 -0.49 4.37 1.04 -0.62 -4.56 113.70 112.75 3kl2 s SER 223 Ca 0.00 -0.72 -0.15 0.00 0.48 0.00 0.00 55.95 55.56 3kl2 s SER 223 Cb 0.00 0.70 0.10 0.00 0.10 0.00 0.00 66.02 66.92 3kl2 s SER 223 CO 0.00 -1.33 0.42 -0.69 0.98 0.00 0.00 173.24 172.62 3kl2 s VAL 224 N -3.24 5.06 0.10 5.02 1.01 0.73 -4.52 120.40 124.55 3kl2 s VAL 224 Ca 0.13 -1.32 -0.31 0.00 0.00 0.00 0.00 61.98 60.49 3kl2 s VAL 224 Cb -0.05 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 32.13 3kl2 s VAL 224 CO 0.07 -0.70 1.30 -2.16 0.00 0.00 0.00 175.10 173.61 3kl2 s PRO 225 N 1.58 4.38 0.05 2.72 0.04 -1.26 -1.98 135.00 140.53 3kl2 s PRO 225 Ca 0.04 1.94 -0.03 0.00 0.04 0.00 0.00 61.00 62.98 3kl2 s PRO 225 Cb -0.27 -3.29 -0.02 0.00 0.04 0.00 0.00 34.50 30.96 3kl2 s PRO 225 CO 0.04 -0.34 0.03 -1.64 0.04 0.00 0.00 177.00 175.14 3kl2 s MET 226 N 0.96 0.59 0.60 4.56 -1.94 0.84 -4.92 119.30 119.99 3kl2 s MET 226 Ca 0.61 -0.98 -0.06 0.00 -1.71 0.00 0.00 55.69 53.56 3kl2 s MET 226 Cb -0.34 0.22 0.01 0.00 2.01 0.00 0.00 34.83 36.74 3kl2 s MET 226 CO 0.30 -0.13 0.90 0.95 -0.01 0.00 0.00 175.02 177.03 3kl2 s THR 227 N -3.22 3.49 0.14 2.05 -4.23 -1.26 -0.87 115.64 111.74 3kl2 s THR 227 Ca 0.00 -0.06 -0.17 0.00 -1.18 0.00 0.00 61.69 60.28 3kl2 s THR 227 Cb 0.03 -3.39 -0.01 0.00 1.34 0.00 0.00 72.50 70.46 3kl2 s THR 227 CO -0.07 -0.40 1.77 0.77 -0.54 0.00 0.00 174.62 176.15 3kl2 h SER 228 N -0.19 0.42 -0.88 3.99 4.64 -1.92 -1.92 113.55 117.68 3kl2 h SER 228 Ca -0.45 -0.05 0.19 0.00 -0.47 0.00 0.00 61.79 61.01 3kl2 h SER 228 Cb 1.26 -0.11 -0.11 0.00 -0.31 0.00 0.00 62.40 63.14 3kl2 h SER 228 CO 0.60 0.34 0.43 0.00 -0.87 0.00 0.00 176.83 177.34 3kl2 h ALA 229 N 1.10 1.39 -0.17 5.18 0.00 -1.94 0.95 119.26 125.76 3kl2 h ALA 229 Ca 0.13 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3kl2 h ALA 229 Cb -0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kl2 h ALA 229 CO -0.02 -0.21 -0.34 -0.44 0.00 0.00 0.00 179.25 178.24 3kl2 h ASP 230 N 0.53 0.60 -0.21 0.00 3.32 -1.82 -0.06 116.42 118.77 3kl2 h ASP 230 Ca 0.52 -0.55 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 3kl2 h ASP 230 Cb 0.87 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3kl2 h ASP 230 CO -0.44 1.03 0.13 0.58 -1.72 0.00 0.00 179.24 178.82 3kl2 h VAL 231 N 0.18 1.08 -0.47 -1.35 2.07 -0.89 0.13 116.25 116.99 3kl2 h VAL 231 Ca 0.01 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.43 3kl2 h VAL 231 Cb 0.93 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.45 3kl2 h VAL 231 CO 0.08 0.07 0.09 0.40 0.02 0.00 0.00 177.57 178.23 3kl2 h ILE 232 N 0.27 0.73 -0.56 4.57 2.04 -0.81 1.04 117.51 124.79 3kl2 h ILE 232 Ca 0.08 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.91 3kl2 h ILE 232 Cb 0.01 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 3kl2 h ILE 232 CO -0.02 0.04 0.31 0.00 0.00 0.00 0.00 178.15 178.48 3kl2 h ALA 233 N 1.37 0.73 -0.37 1.87 0.00 -0.70 -2.82 119.26 119.35 3kl2 h ALA 233 Ca 0.24 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 3kl2 h ALA 233 Cb 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3kl2 h ALA 233 CO -0.31 -0.02 -0.24 0.00 0.00 0.00 0.00 179.25 178.68 3kl2 h ALA 234 N 1.29 0.52 0.00 0.00 0.00 0.53 -3.51 119.26 118.09 3kl2 h ALA 234 Ca 0.25 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kl2 h ALA 234 Cb 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kl2 h ALA 234 CO -0.15 0.51 0.00 1.28 0.00 0.00 0.00 179.25 180.89