#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk2 n ASN 2 N 0.00 -0.45 0.28 2.98 5.15 -1.26 -4.74 115.26 117.23 2kk2 n ASN 2 Ca 0.00 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.12 2kk2 n ASN 2 Cb 0.00 -0.12 0.84 0.00 -0.53 0.00 0.00 39.78 39.97 2kk2 n ASN 2 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2kk2 h PRO 3 N 0.00 0.00 0.00 1.20 0.13 -1.92 -0.55 132.00 130.86 2kk2 h PRO 3 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kk2 h PRO 3 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kk2 h PRO 3 CO 0.00 0.06 0.00 0.39 -0.23 0.00 0.00 178.00 178.22 2kk2 n GLU 4 N -3.68 0.05 0.22 0.86 -0.58 -1.26 -0.90 120.64 115.35 2kk2 n GLU 4 Ca -0.02 0.29 0.10 0.00 -0.42 0.00 0.00 57.16 57.10 2kk2 n GLU 4 Cb 0.16 -1.50 0.45 0.00 -0.57 0.00 0.00 31.44 29.99 2kk2 n GLU 4 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2kk2 h ASP 5 N 0.00 0.00 -0.17 1.62 1.82 -1.38 -3.23 116.42 115.08 2kk2 h ASP 5 Ca 0.00 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.59 2kk2 h ASP 5 Cb 0.13 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.11 2kk2 h ASP 5 CO 0.00 0.23 -0.11 0.47 -1.61 0.00 0.00 179.24 178.22 2kk2 n ASP 6 N -3.40 2.68 -4.77 2.28 8.00 -0.08 -5.01 116.55 116.25 2kk2 n ASP 6 Ca 0.00 -3.40 -0.40 0.00 0.71 0.00 0.00 54.79 51.69 2kk2 n ASP 6 Cb 0.43 -0.54 -0.01 0.00 -0.02 0.00 0.00 41.12 40.98 2kk2 n ASP 6 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2kk2 s TYR 7 N -3.03 2.90 -0.47 1.24 5.04 -0.82 -2.34 117.35 119.86 2kk2 s TYR 7 Ca 0.39 1.36 0.03 0.00 -2.44 0.00 0.00 57.07 56.41 2kk2 s TYR 7 Cb 0.35 -3.76 0.13 0.00 0.35 0.00 0.00 41.96 39.03 2kk2 s TYR 7 CO 0.02 -2.17 0.23 0.95 -1.34 0.00 0.00 175.55 173.25 2kk2 s THR 8 N -1.16 1.94 0.37 4.34 -4.23 -0.80 -4.97 115.64 111.13 2kk2 s THR 8 Ca 0.51 -2.84 0.20 0.00 -1.18 0.00 0.00 61.69 58.38 2kk2 s THR 8 Cb -0.41 -2.36 0.20 0.00 1.34 0.00 0.00 72.50 71.27 2kk2 s THR 8 CO 0.55 -0.83 1.94 1.55 -0.54 0.00 0.00 174.62 177.29 2kk2 h PRO 9 N 6.71 0.00 0.00 3.99 0.13 -1.87 -2.59 132.00 138.37 2kk2 h PRO 9 Ca -0.05 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 2kk2 h PRO 9 Cb 0.92 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 2kk2 h PRO 9 CO 0.57 0.23 -0.14 -0.07 -0.23 0.00 0.00 178.00 178.37 2kk2 h LEU 10 N 0.00 0.00 -2.01 1.56 3.38 -1.95 -2.69 115.31 113.60 2kk2 h LEU 10 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kk2 h LEU 10 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2kk2 h LEU 10 CO 0.03 0.14 0.00 0.35 0.09 0.00 0.00 178.44 179.05 2kk2 n THR 11 N -3.88 0.53 -3.24 0.22 -2.24 -1.24 -5.00 114.28 99.43 2kk2 n THR 11 Ca -0.02 -0.58 -0.41 0.00 -2.27 0.00 0.00 64.05 60.76 2kk2 n THR 11 Cb 0.23 0.79 -0.08 0.00 -2.10 0.00 0.00 70.33 69.17 2kk2 n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kk2 n PRO 13 N 5.72 0.16 -4.78 0.00 -0.04 -1.26 -4.78 135.00 130.02 2kk2 n PRO 13 Ca -0.05 0.18 -0.33 0.00 -0.04 0.00 0.00 63.50 63.26 2kk2 n PRO 13 Cb 0.49 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.33 2kk2 n PRO 13 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2kk2 s HIS 14 N -2.53 2.80 0.59 0.54 3.76 -1.26 -5.10 115.29 114.09 2kk2 s HIS 14 Ca 0.10 -0.11 -0.10 0.00 -0.15 0.00 0.00 55.06 54.80 2kk2 s HIS 14 Cb 0.07 -1.67 -0.04 0.00 1.11 0.00 0.00 32.58 32.04 2kk2 s HIS 14 CO 0.15 0.22 0.98 0.95 -0.85 0.00 0.00 174.74 176.20 2kk2 s THR 15 N -0.70 4.73 -1.62 1.30 -4.23 -1.26 -4.76 115.64 109.10 2kk2 s THR 15 Ca 0.11 0.79 0.07 0.00 -1.18 0.00 0.00 61.69 61.48 2kk2 s THR 15 Cb -0.11 -3.86 0.14 0.00 1.34 0.00 0.00 72.50 70.02 2kk2 s THR 15 CO 0.01 -1.06 1.00 0.00 -0.54 0.00 0.00 174.62 174.03 2kk2 n ILE 16 N -2.57 0.59 0.05 2.99 3.06 -1.26 -0.55 119.36 121.67 2kk2 n ILE 16 Ca 0.05 0.15 -0.00 0.00 -2.50 0.00 0.00 62.75 60.44 2kk2 n ILE 16 Cb 0.54 -1.04 -0.07 0.00 0.54 0.00 0.00 39.64 39.61 2kk2 n ILE 16 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 2kk2 h SER 17 N 0.00 0.00 -0.93 9.51 0.02 -2.05 -3.43 113.55 116.68 2kk2 h SER 17 Ca 0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 2kk2 h SER 17 Cb 0.04 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 62.25 2kk2 h SER 17 CO 0.00 0.61 -0.96 1.33 -1.14 0.00 0.00 176.83 176.67 2kk2 n VAL 18 N -2.97 0.45 -0.06 2.27 0.24 0.29 -4.86 118.33 113.69 2kk2 n VAL 18 Ca -0.08 -2.93 -0.14 0.00 -2.04 0.00 0.00 64.34 59.15 2kk2 n VAL 18 Cb 0.84 0.61 -0.05 0.00 -1.47 0.00 0.00 33.84 33.77 2kk2 n VAL 18 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 2kk2 n VAL 19 N -0.06 0.97 0.22 3.34 3.14 -0.70 -4.05 118.33 121.19 2kk2 n VAL 19 Ca 0.10 -0.10 -0.12 0.00 -2.96 0.00 0.00 64.34 61.26 2kk2 n VAL 19 Cb 0.78 -1.78 -0.06 0.00 -1.06 0.00 0.00 33.84 31.71 2kk2 n VAL 19 CO 0.00 0.00 0.00 -0.25 -6.46 0.00 0.00 176.83 170.12 2kk2 h TRP 20 N -0.55 -0.89 -0.98 1.45 2.91 -1.90 -1.33 115.95 114.66 2kk2 h TRP 20 Ca -0.29 0.00 0.24 0.00 1.13 0.00 0.00 58.89 59.97 2kk2 h TRP 20 Cb 1.14 0.34 -0.12 0.00 -0.51 0.00 0.00 29.16 30.01 2kk2 h TRP 20 CO -0.10 -0.45 0.55 -0.92 -1.03 0.00 0.00 178.44 176.50 2kk2 h TYR 21 N -0.70 0.94 0.36 2.65 3.20 -1.89 -1.39 116.97 120.14 2kk2 h TYR 21 Ca -0.05 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 2kk2 h TYR 21 Cb 0.59 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.60 2kk2 h TYR 21 CO -0.14 0.05 -0.17 1.05 -1.64 0.00 0.00 178.16 177.31 2kk2 h GLU 22 N 0.55 -0.46 0.00 1.82 -0.00 -1.60 -0.19 114.58 114.70 2kk2 h GLU 22 Ca 0.62 0.03 0.00 0.00 -0.00 0.00 0.00 59.36 60.02 2kk2 h GLU 22 Cb 1.17 0.11 0.00 0.00 -0.00 0.00 0.00 28.75 30.03 2kk2 h GLU 22 CO -0.48 -0.15 0.00 0.00 -0.00 0.00 0.00 179.01 178.37 2kk2 n THR 24 N -0.92 0.00 0.02 0.00 -2.24 -0.55 -3.31 114.28 107.28 2kk2 n THR 24 Ca 0.20 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2kk2 n THR 24 Cb 0.09 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 2kk2 n THR 24 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2kk2 n GLU 25 N -0.59 0.00 -1.84 -0.78 0.00 -0.11 -4.43 120.64 112.89 2kk2 n GLU 25 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.78 2kk2 n GLU 25 Cb 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 31.44 31.28 2kk2 n GLU 25 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 2kk2 s ASN 26 N -5.05 5.05 0.00 4.31 2.47 -0.93 -4.83 114.94 115.95 2kk2 s ASN 26 Ca 0.00 0.81 0.09 0.00 0.42 0.00 0.00 52.86 54.18 2kk2 s ASN 26 Cb 0.00 -2.52 0.46 0.00 -1.45 0.00 0.00 41.25 37.74 2kk2 s ASN 26 CO 0.00 -2.46 1.19 0.35 -3.72 0.00 0.00 177.10 172.46 2kk2 n THR 27 N 7.55 0.87 0.27 -5.21 -2.24 -1.26 -0.95 114.28 113.30 2kk2 n THR 27 Ca 0.27 0.22 0.18 0.00 -2.27 0.00 0.00 64.05 62.44 2kk2 n THR 27 Cb 0.52 -1.06 0.93 0.00 -2.10 0.00 0.00 70.33 68.61 2kk2 n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kk2 h ALA 28 N 2.42 1.53 0.00 6.98 0.00 -1.92 -3.39 119.26 124.88 2kk2 h ALA 28 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kk2 h ALA 28 Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2kk2 h ALA 28 CO 0.00 -0.19 0.00 0.27 0.00 0.00 0.00 179.25 179.33 2kk2 n ASN 29 N -3.55 0.00 -4.74 0.00 0.23 -0.33 -5.12 115.26 101.74 2kk2 n ASN 29 Ca -0.01 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.64 2kk2 n ASN 29 Cb 0.23 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 37.95 2kk2 n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kk2 n GLY 31 N 0.64 2.29 0.19 0.00 0.00 -1.21 -1.06 105.19 106.04 2kk2 n GLY 31 Ca 0.05 -1.83 -0.07 0.00 0.00 0.00 0.00 46.02 44.17 2kk2 n GLY 31 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2kk2 h THR 32 N 2.62 0.59 0.00 2.61 2.02 -1.67 -1.93 112.91 117.15 2kk2 h THR 32 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 2kk2 h THR 32 Cb 0.00 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 2kk2 h THR 32 CO 0.00 0.00 -0.27 0.00 0.37 0.00 0.00 175.52 175.62 2kk2 h ALA 33 N 1.12 1.29 -0.08 6.16 0.00 -1.90 -0.33 119.26 125.52 2kk2 h ALA 33 Ca 0.14 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2kk2 h ALA 33 Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kk2 h ALA 33 CO -0.33 0.34 -0.21 0.00 0.00 0.00 0.00 179.25 179.05 2kk2 n ASP 36 N -5.38 0.10 -0.15 0.00 2.03 -0.17 -0.13 116.55 112.85 2kk2 n ASP 36 Ca -0.00 -1.65 0.03 0.00 0.52 0.00 0.00 54.79 53.69 2kk2 n ASP 36 Cb 0.30 -0.05 -0.00 0.00 -0.72 0.00 0.00 41.12 40.64 2kk2 n ASP 36 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2kk2 n SER 37 N -0.43 0.98 0.00 1.67 7.64 -0.68 -4.84 113.62 117.97 2kk2 n SER 37 Ca 0.00 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.89 2kk2 n SER 37 Cb 0.03 0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 2kk2 n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kk2 s PHE 39 N 0.00 -0.26 0.34 0.00 0.08 0.81 -1.90 117.98 117.04 2kk2 s PHE 39 Ca 0.00 0.64 0.07 0.00 0.12 0.00 0.00 56.93 57.76 2kk2 s PHE 39 Cb 0.00 0.08 -0.07 0.00 -0.57 0.00 0.00 43.02 42.46 2kk2 s PHE 39 CO 0.00 -0.14 -0.03 -1.21 -0.10 0.00 0.00 175.22 173.74 2kk2 s GLU 40 N 0.34 1.74 4.94 0.44 2.02 -0.99 -4.01 118.70 123.19 2kk2 s GLU 40 Ca -0.02 -1.93 0.00 0.00 0.02 0.00 0.00 54.97 53.04 2kk2 s GLU 40 Cb -0.03 -1.36 0.00 0.00 0.10 0.00 0.00 34.13 32.83 2kk2 s GLU 40 CO -0.01 -0.00 0.00 1.28 0.02 0.00 0.00 175.26 176.55 2kk2 n LEU 41 N -0.75 0.00 -0.22 1.80 4.77 -1.26 -0.55 117.00 120.78 2kk2 n LEU 41 Ca -0.05 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.91 2kk2 n LEU 41 Cb 0.65 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.90 2kk2 n LEU 41 CO 0.44 0.00 1.09 0.74 -1.33 0.00 0.00 177.39 178.33 2kk2 h THR 42 N 0.00 1.23 -0.45 -5.08 2.02 -1.97 -2.38 112.91 106.27 2kk2 h THR 42 Ca 0.00 -0.68 -0.06 0.00 0.77 0.00 0.00 66.41 66.44 2kk2 h THR 42 Cb 0.00 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 2kk2 h THR 42 CO 0.00 0.28 0.05 1.23 0.37 0.00 0.00 175.52 177.45 2kk2 h GLY 43 N 1.08 0.83 0.57 2.16 0.00 -1.10 -0.56 103.07 106.06 2kk2 h GLY 43 Ca 0.25 -0.58 0.03 0.00 0.00 0.00 0.00 47.33 47.03 2kk2 h GLY 43 CO -0.03 0.53 -0.15 -0.57 0.00 0.00 0.00 176.54 176.32 2kk2 h ASN 44 N 0.63 -0.45 -0.61 0.19 -0.73 -1.01 -0.21 115.58 113.39 2kk2 h ASN 44 Ca 0.13 0.07 0.09 0.00 1.87 0.00 0.00 56.30 58.47 2kk2 h ASN 44 Cb 0.43 0.20 -0.07 0.00 0.27 0.00 0.00 38.32 39.14 2kk2 h ASN 44 CO 0.01 -0.20 0.25 0.74 -0.37 0.00 0.00 177.43 177.86 2kk2 h THR 45 N -0.23 0.79 -0.45 -3.57 2.02 -0.88 -0.30 112.91 110.30 2kk2 h THR 45 Ca 0.07 -0.15 -0.13 0.00 0.77 0.00 0.00 66.41 66.96 2kk2 h THR 45 Cb 0.32 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2kk2 h THR 45 CO -0.18 0.08 -0.23 0.24 0.37 0.00 0.00 175.52 175.80 2kk2 h MET 46 N 0.44 0.94 -0.08 6.66 2.86 -0.68 -1.29 114.93 123.78 2kk2 h MET 46 Ca 0.31 -0.42 0.03 0.00 -2.06 0.00 0.00 59.70 57.55 2kk2 h MET 46 Cb 0.36 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 2kk2 h MET 46 CO -0.29 1.08 -0.08 0.00 1.06 0.00 0.00 176.91 178.68 2kk2 h LEU 48 N -0.10 0.27 -1.14 0.00 3.38 -1.06 0.28 115.31 116.94 2kk2 h LEU 48 Ca 0.06 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.20 2kk2 h LEU 48 Cb 0.19 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 2kk2 h LEU 48 CO -0.15 0.16 0.60 0.25 0.09 0.00 0.00 178.44 179.39 2kk2 h LEU 49 N 0.44 0.86 0.01 1.67 6.46 -0.33 -0.63 115.31 123.79 2kk2 h LEU 49 Ca 0.30 0.02 -0.08 0.00 -0.12 0.00 0.00 57.88 58.00 2kk2 h LEU 49 Cb 0.35 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 2kk2 h LEU 49 CO -0.28 0.51 -0.43 -0.61 -0.62 0.00 0.00 178.44 177.00 2kk2 h GLN 50 N 0.95 0.02 -0.64 1.25 5.75 -0.75 -3.18 115.11 118.51 2kk2 h GLN 50 Ca 0.43 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.95 2kk2 h GLN 50 Cb 0.38 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.91 2kk2 h GLN 50 CO -0.19 1.02 0.43 0.00 -2.65 0.00 0.00 178.83 177.43 2kk2 h ALA 51 N -0.13 1.75 -0.68 3.38 0.00 -0.84 -1.95 119.26 120.78 2kk2 h ALA 51 Ca -0.11 -0.02 -0.45 0.00 0.00 0.00 0.00 54.91 54.32 2kk2 h ALA 51 Cb 1.14 -0.17 -0.28 0.00 0.00 0.00 0.00 17.79 18.48 2kk2 h ALA 51 CO -0.05 0.15 -0.07 0.41 0.00 0.00 0.00 179.25 179.69 2kk2 n GLY 52 N -1.46 5.67 0.32 0.00 0.00 -0.25 -4.35 105.19 105.11 2kk2 n GLY 52 Ca 0.09 -2.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.00 2kk2 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk2 h ALA 53 N 1.67 -0.83 -0.28 4.61 0.00 -1.33 -3.42 119.26 119.68 2kk2 h ALA 53 Ca 0.39 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 2kk2 h ALA 53 Cb 1.45 0.77 -0.15 0.00 0.00 0.00 0.00 17.79 19.87 2kk2 h ALA 53 CO 0.86 -0.92 -0.31 0.00 0.00 0.00 0.00 179.25 178.87 2kk2 n ALA 54 N -2.78 -2.52 0.00 0.00 0.00 -1.26 -4.99 120.51 108.95 2kk2 n ALA 54 Ca -0.05 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.63 2kk2 n ALA 54 Cb 0.27 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.50 2kk2 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kk2 n GLY 55 N 2.12 2.10 0.00 0.00 0.00 -1.26 -5.06 105.19 103.09 2kk2 n GLY 55 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2kk2 n GLY 55 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kk2 n SER 56 N 0.00 0.00 0.00 1.61 7.64 -1.26 -4.81 113.62 116.80 2kk2 n SER 56 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2kk2 n SER 56 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2kk2 n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kk2 n GLY 57 N 0.00 0.00 3.25 0.23 0.00 -1.26 -5.13 105.19 102.28 2kk2 n GLY 57 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2kk2 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk2 s ASP 59 N -2.55 6.86 -0.59 0.00 2.15 -0.22 -4.84 116.67 117.49 2kk2 s ASP 59 Ca 0.10 -2.49 -0.20 0.00 0.43 0.00 0.00 52.55 50.39 2kk2 s ASP 59 Cb -0.04 -2.48 0.08 0.00 -0.30 0.00 0.00 42.92 40.18 2kk2 s ASP 59 CO 0.03 -1.02 0.75 -0.04 -0.17 0.00 0.00 175.17 174.72 2kk2 s MET 60 N 3.01 3.09 0.00 4.34 -1.94 -1.26 -1.80 119.30 124.73 2kk2 s MET 60 Ca 0.45 -1.09 0.08 0.00 -1.71 0.00 0.00 55.69 53.43 2kk2 s MET 60 Cb -0.01 -4.21 0.49 0.00 2.01 0.00 0.00 34.83 33.11 2kk2 s MET 60 CO 0.00 -1.53 0.94 0.39 -0.01 0.00 0.00 175.02 174.81