#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 -6.76 0.31 2.98 4.13 -1.26 -4.66 115.26 110.00 2kk2 n ASN 2 Ca 0.00 1.10 0.17 0.00 1.68 0.00 0.00 54.58 57.54 2kk2 n ASN 2 Cb 0.00 -3.69 1.00 0.00 -1.54 0.00 0.00 39.78 35.56 2kk2 n ASN 2 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2kk2 h PRO 3 N 2.76 0.00 0.00 3.52 0.13 -1.92 -1.99 132.00 134.50 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 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.16 2kk2 n GLU 4 N -3.62 0.07 0.23 0.86 1.02 -1.26 -1.49 120.64 116.45 2kk2 n GLU 4 Ca -0.03 0.47 0.09 0.00 -0.02 0.00 0.00 57.16 57.67 2kk2 n GLU 4 Cb 0.09 -1.68 0.57 0.00 -0.02 0.00 0.00 31.44 30.40 2kk2 n GLU 4 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2kk2 h ASP 5 N 0.00 0.00 -0.01 1.62 5.19 -1.62 -3.17 116.42 118.43 2kk2 h ASP 5 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2kk2 h ASP 5 Cb 0.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.62 2kk2 h ASP 5 CO 0.00 0.21 0.00 0.47 -3.12 0.00 0.00 179.24 176.80 2kk2 n ASP 6 N -3.80 2.38 -4.72 6.45 8.00 -0.55 -5.02 116.55 119.28 2kk2 n ASP 6 Ca -0.02 -3.02 -0.42 0.00 0.71 0.00 0.00 54.79 52.05 2kk2 n ASP 6 Cb 0.31 -0.41 -0.03 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 -2.76 3.04 -0.66 1.24 5.04 -1.11 -2.28 117.35 119.86 2kk2 s TYR 7 Ca 0.30 0.70 0.02 0.00 -2.44 0.00 0.00 57.07 55.65 2kk2 s TYR 7 Cb 0.26 -3.92 0.16 0.00 0.35 0.00 0.00 41.96 38.82 2kk2 s TYR 7 CO 0.03 -3.31 0.45 0.95 -1.34 0.00 0.00 175.55 172.33 2kk2 s THR 8 N 0.91 3.17 0.49 4.34 -4.23 -0.50 -4.96 115.64 114.86 2kk2 s THR 8 Ca 0.68 -3.65 0.18 0.00 -1.18 0.00 0.00 61.69 57.71 2kk2 s THR 8 Cb -0.44 -3.09 0.24 0.00 1.34 0.00 0.00 72.50 70.56 2kk2 s THR 8 CO 0.34 -0.93 2.09 1.55 -0.54 0.00 0.00 174.62 177.13 2kk2 h PRO 9 N 6.16 0.00 -0.40 3.99 0.13 -1.88 -2.37 132.00 137.63 2kk2 h PRO 9 Ca 0.04 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.24 2kk2 h PRO 9 Cb 0.85 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.89 2kk2 h PRO 9 CO 0.73 0.09 -0.44 -0.07 -0.23 0.00 0.00 178.00 178.08 2kk2 h LEU 10 N 0.00 -1.46 -0.02 1.56 4.07 -1.93 -2.54 115.31 114.99 2kk2 h LEU 10 Ca -0.00 0.22 0.00 0.00 0.08 0.00 0.00 57.88 58.18 2kk2 h LEU 10 Cb 0.17 0.63 0.00 0.00 1.08 0.00 0.00 40.66 42.54 2kk2 h LEU 10 CO 0.01 -0.37 -0.55 0.35 -1.08 0.00 0.00 178.44 176.80 2kk2 n THR 11 N -5.41 0.00 -3.49 0.22 -2.24 -1.07 -4.91 114.28 97.38 2kk2 n THR 11 Ca -0.01 -0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.37 2kk2 n THR 11 Cb 0.35 0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 68.83 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 5.21 0.68 -4.32 0.00 -0.04 -1.26 -4.74 135.00 130.52 2kk2 n PRO 13 Ca -0.11 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.15 2kk2 n PRO 13 Cb 0.50 -1.16 -0.15 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.53 0.84 0.69 0.54 3.76 -1.26 -5.14 115.29 113.19 2kk2 s HIS 14 Ca 0.00 -0.20 -0.11 0.00 -0.15 0.00 0.00 55.06 54.59 2kk2 s HIS 14 Cb 0.00 -0.61 0.01 0.00 1.11 0.00 0.00 32.58 33.09 2kk2 s HIS 14 CO 0.00 -0.09 1.06 0.95 -0.85 0.00 0.00 174.74 175.81 2kk2 s THR 15 N 0.22 3.95 0.59 1.30 -4.23 -1.26 -4.78 115.64 111.43 2kk2 s THR 15 Ca -0.03 0.67 0.36 0.00 -1.18 0.00 0.00 61.69 61.51 2kk2 s THR 15 Cb -0.08 -3.36 0.39 0.00 1.34 0.00 0.00 72.50 70.79 2kk2 s THR 15 CO 0.00 -0.79 2.29 -0.29 -0.54 0.00 0.00 174.62 175.29 2kk2 h ILE 16 N -0.61 0.29 -0.59 2.99 2.10 -2.00 -0.42 117.51 119.27 2kk2 h ILE 16 Ca -0.44 -0.06 0.01 0.00 1.08 0.00 0.00 64.86 65.45 2kk2 h ILE 16 Cb 1.21 1.04 -0.03 0.00 -1.09 0.00 0.00 36.82 37.96 2kk2 h ILE 16 CO 0.56 0.01 0.38 -1.28 -1.08 0.00 0.00 178.15 176.75 2kk2 h SER 17 N 0.00 0.65 -1.28 2.19 0.87 -2.06 -3.35 113.55 110.57 2kk2 h SER 17 Ca -0.00 -0.01 -0.44 0.00 -1.23 0.00 0.00 61.79 60.11 2kk2 h SER 17 Cb 0.04 -0.16 -0.41 0.00 -0.44 0.00 0.00 62.40 61.44 2kk2 h SER 17 CO 0.00 0.47 -1.07 1.33 -0.53 0.00 0.00 176.83 177.03 2kk2 n VAL 18 N -4.69 1.28 -0.12 2.23 0.24 -0.24 -4.85 118.33 112.18 2kk2 n VAL 18 Ca 0.04 -3.76 -0.25 0.00 -2.04 0.00 0.00 64.34 58.34 2kk2 n VAL 18 Cb 0.04 0.03 -0.08 0.00 -1.47 0.00 0.00 33.84 32.36 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 -0.13 1.29 0.00 3.34 3.14 -0.76 -4.30 118.33 120.91 2kk2 n VAL 19 Ca 0.19 -0.32 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 2kk2 n VAL 19 Cb 0.75 -1.83 0.00 0.00 -1.06 0.00 0.00 33.84 31.70 2kk2 n VAL 19 CO 0.00 0.00 0.00 1.87 -6.46 0.00 0.00 176.83 172.24 2kk2 n TRP 20 N -4.06 0.00 -0.33 1.45 -0.00 -1.26 -1.74 117.44 111.51 2kk2 n TRP 20 Ca -0.46 0.00 0.17 0.00 -0.00 0.00 0.00 57.50 57.21 2kk2 n TRP 20 Cb 0.82 -0.37 0.40 0.00 -0.00 0.00 0.00 31.31 32.16 2kk2 n TRP 20 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 177.69 176.77 2kk2 h TYR 21 N 0.00 0.88 -0.24 5.87 5.03 -1.93 -0.70 116.97 125.88 2kk2 h TYR 21 Ca 0.00 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.24 2kk2 h TYR 21 Cb 0.00 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.00 2kk2 h TYR 21 CO -0.11 0.17 -0.28 1.05 -1.32 0.00 0.00 178.16 177.67 2kk2 h GLU 22 N 0.60 0.48 -0.02 1.82 -0.00 -1.67 0.96 114.58 116.75 2kk2 h GLU 22 Ca 0.57 -0.19 0.00 0.00 -0.00 0.00 0.00 59.36 59.74 2kk2 h GLU 22 Cb 1.11 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.83 2kk2 h GLU 22 CO -0.34 0.72 -0.08 0.00 -0.00 0.00 0.00 179.01 179.31 2kk2 n THR 24 N 0.80 0.00 0.00 0.00 -2.24 -0.67 -2.74 114.28 109.43 2kk2 n THR 24 Ca 0.14 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2kk2 n THR 24 Cb 0.51 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.83 0.00 -2.32 -0.78 2.13 0.22 -4.00 120.64 115.06 2kk2 n GLU 25 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 2kk2 n GLU 25 Cb 0.00 -0.14 -0.03 0.00 0.27 0.00 0.00 31.44 31.54 2kk2 n GLU 25 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2kk2 s ASN 26 N -1.42 5.80 0.00 4.31 2.47 -0.52 -4.84 114.94 120.75 2kk2 s ASN 26 Ca 0.00 -0.56 0.04 0.00 0.42 0.00 0.00 52.86 52.76 2kk2 s ASN 26 Cb 0.00 -2.55 0.22 0.00 -1.45 0.00 0.00 41.25 37.46 2kk2 s ASN 26 CO 0.00 -2.09 0.95 0.35 -3.72 0.00 0.00 177.10 172.59 2kk2 n THR 27 N 7.04 0.92 0.25 -5.21 -2.24 -1.26 -1.49 114.28 112.29 2kk2 n THR 27 Ca 0.23 0.23 0.12 0.00 -2.27 0.00 0.00 64.05 62.36 2kk2 n THR 27 Cb 0.50 -1.16 0.76 0.00 -2.10 0.00 0.00 70.33 68.33 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 2.21 1.85 -3.00 6.98 0.00 -1.90 -3.43 119.26 121.97 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 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2kk2 h ALA 28 CO 0.00 -0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.27 2kk2 n ASN 29 N -4.22 0.00 0.00 0.00 3.02 -0.56 -5.17 115.26 108.33 2kk2 n ASN 29 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 2kk2 n ASN 29 Cb 0.14 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 2kk2 n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kk2 n GLY 31 N -0.08 -1.15 0.22 0.00 0.00 -1.11 -4.14 105.19 98.93 2kk2 n GLY 31 Ca 0.00 -1.61 -0.01 0.00 0.00 0.00 0.00 46.02 44.40 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 0.00 0.62 -0.01 2.61 2.02 -1.90 -2.10 112.91 114.15 2kk2 h THR 32 Ca 0.00 -0.07 -0.15 0.00 0.77 0.00 0.00 66.41 66.96 2kk2 h THR 32 Cb 0.00 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 2kk2 h THR 32 CO 0.00 0.03 -0.70 0.00 0.37 0.00 0.00 175.52 175.23 2kk2 h ALA 33 N 1.47 0.82 -0.20 6.16 0.00 -1.92 0.65 119.26 126.23 2kk2 h ALA 33 Ca 0.29 -0.62 0.02 0.00 0.00 0.00 0.00 54.91 54.59 2kk2 h ALA 33 Cb 0.43 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2kk2 h ALA 33 CO -0.41 0.84 0.06 0.00 0.00 0.00 0.00 179.25 179.74 2kk2 h ASP 36 N -0.66 0.00 0.98 0.00 3.58 -0.44 0.37 116.42 120.25 2kk2 h ASP 36 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2kk2 h ASP 36 Cb 0.64 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.69 2kk2 h ASP 36 CO -0.15 0.28 0.00 -1.20 -2.88 0.00 0.00 179.24 175.29 2kk2 n SER 37 N -4.07 0.30 0.00 2.28 7.64 -0.20 -4.31 113.62 115.27 2kk2 n SER 37 Ca -0.02 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.40 2kk2 n SER 37 Cb 0.34 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 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 -0.68 -0.53 0.36 0.00 0.08 0.11 -1.41 117.98 115.91 2kk2 s PHE 39 Ca 0.00 1.20 0.07 0.00 0.12 0.00 0.00 56.93 58.32 2kk2 s PHE 39 Cb 0.00 0.21 -0.07 0.00 -0.57 0.00 0.00 43.02 42.59 2kk2 s PHE 39 CO 0.00 -0.28 -0.01 -1.21 -0.10 0.00 0.00 175.22 173.62 2kk2 s GLU 40 N 0.77 1.82 4.46 0.44 2.02 -0.97 -3.82 118.70 123.42 2kk2 s GLU 40 Ca -0.04 -2.00 0.00 0.00 0.02 0.00 0.00 54.97 52.95 2kk2 s GLU 40 Cb -0.05 -1.44 0.00 0.00 0.10 0.00 0.00 34.13 32.73 2kk2 s GLU 40 CO -0.06 -0.03 0.00 1.28 0.02 0.00 0.00 175.26 176.47 2kk2 n LEU 41 N -0.83 0.00 0.14 1.80 4.77 -1.26 -0.47 117.00 121.15 2kk2 n LEU 41 Ca -0.04 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.98 2kk2 n LEU 41 Cb 0.66 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 42.23 2kk2 n LEU 41 CO 0.46 0.00 1.00 0.74 -1.33 0.00 0.00 177.39 178.26 2kk2 h THR 42 N 0.00 1.11 -0.70 -5.08 2.02 -1.98 -2.23 112.91 106.05 2kk2 h THR 42 Ca 0.00 -0.41 -0.07 0.00 0.77 0.00 0.00 66.41 66.70 2kk2 h THR 42 Cb 0.00 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 2kk2 h THR 42 CO 0.00 0.14 0.17 1.23 0.37 0.00 0.00 175.52 177.42 2kk2 h GLY 43 N 0.47 1.21 0.95 2.16 0.00 -1.04 -0.61 103.07 106.21 2kk2 h GLY 43 Ca 0.05 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 2kk2 h GLY 43 CO 0.00 0.70 -0.16 -0.57 0.00 0.00 0.00 176.54 176.52 2kk2 h ASN 44 N 1.06 -0.39 -0.78 0.19 -0.73 -0.67 -2.00 115.58 112.26 2kk2 h ASN 44 Ca 0.22 0.02 0.10 0.00 1.87 0.00 0.00 56.30 58.51 2kk2 h ASN 44 Cb 0.38 0.11 -0.05 0.00 0.27 0.00 0.00 38.32 39.02 2kk2 h ASN 44 CO 0.00 -0.26 0.51 0.74 -0.37 0.00 0.00 177.43 178.05 2kk2 h THR 45 N -0.42 0.93 -0.05 -3.57 2.02 -0.95 -0.01 112.91 110.86 2kk2 h THR 45 Ca -0.03 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 2kk2 h THR 45 Cb 0.34 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2kk2 h THR 45 CO 0.05 0.13 -0.07 0.24 0.37 0.00 0.00 175.52 176.23 2kk2 h MET 46 N 0.69 0.13 -0.21 6.66 2.86 -1.02 -2.71 114.93 121.33 2kk2 h MET 46 Ca 0.36 -0.08 0.03 0.00 -2.06 0.00 0.00 59.70 57.95 2kk2 h MET 46 Cb 0.48 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 2kk2 h MET 46 CO -0.14 0.63 0.03 0.00 1.06 0.00 0.00 176.91 178.50 2kk2 h LEU 48 N 0.11 0.16 -1.41 0.00 3.38 -1.12 -0.01 115.31 116.41 2kk2 h LEU 48 Ca 0.10 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.18 2kk2 h LEU 48 Cb 0.10 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2kk2 h LEU 48 CO -0.13 0.10 0.43 0.25 0.09 0.00 0.00 178.44 179.18 2kk2 h LEU 49 N 0.35 0.66 0.00 1.67 5.85 -1.08 -0.86 115.31 121.91 2kk2 h LEU 49 Ca 0.29 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 2kk2 h LEU 49 Cb 0.37 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 2kk2 h LEU 49 CO -0.31 0.46 -0.14 -0.61 -0.34 0.00 0.00 178.44 177.50 2kk2 h GLN 50 N 0.77 0.00 0.13 1.25 5.75 -0.81 -2.90 115.11 119.29 2kk2 h GLN 50 Ca 0.26 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.78 2kk2 h GLN 50 Cb 0.09 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.60 2kk2 h GLN 50 CO -0.07 0.98 -0.42 0.00 -2.65 0.00 0.00 178.83 176.66 2kk2 h ALA 51 N -0.07 -0.76 -0.22 3.38 0.00 -0.97 -2.53 119.26 118.09 2kk2 h ALA 51 Ca -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2kk2 h ALA 51 Cb 1.01 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2kk2 h ALA 51 CO -0.02 -0.99 0.00 0.41 0.00 0.00 0.00 179.25 178.64 2kk2 n GLY 52 N -1.47 1.45 0.39 0.00 0.00 -0.34 -4.20 105.19 101.02 2kk2 n GLY 52 Ca -0.07 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 2.93 -0.93 -0.66 4.61 0.00 -1.23 -3.37 119.26 120.61 2kk2 h ALA 53 Ca 0.00 -0.10 -0.31 0.00 0.00 0.00 0.00 54.91 54.50 2kk2 h ALA 53 Cb 0.81 0.79 -0.26 0.00 0.00 0.00 0.00 17.79 19.12 2kk2 h ALA 53 CO 0.12 -1.03 -0.76 0.00 0.00 0.00 0.00 179.25 177.58 2kk2 n ALA 54 N -2.81 1.48 0.00 0.00 0.00 -1.26 -5.00 120.51 112.92 2kk2 n ALA 54 Ca -0.07 -2.23 0.00 0.00 0.00 0.00 0.00 53.44 51.14 2kk2 n ALA 54 Cb 0.33 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.06 2.07 6.76 0.00 0.00 -1.26 -4.93 105.19 107.77 2kk2 n GLY 55 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2kk2 n GLY 55 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kk2 n SER 56 N 2.71 0.00 -1.92 1.61 2.88 -1.26 -0.93 113.62 116.71 2kk2 n SER 56 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 2kk2 n SER 56 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 2kk2 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kk2 n GLY 57 N 0.00 1.29 3.87 0.46 0.00 -1.26 -5.15 105.19 104.40 2kk2 n GLY 57 Ca 0.00 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.89 6.40 -0.54 0.00 2.15 -1.26 -4.91 116.67 114.61 2kk2 s ASP 59 Ca 0.33 0.40 0.07 0.00 0.43 0.00 0.00 52.55 53.78 2kk2 s ASP 59 Cb -0.08 -2.01 0.27 0.00 -0.30 0.00 0.00 42.92 40.80 2kk2 s ASP 59 CO 0.26 0.01 0.72 0.23 -0.17 0.00 0.00 175.17 176.22 2kk2 n MET 60 N -0.38 2.05 -0.11 4.34 2.81 -1.26 -3.61 117.12 120.95 2kk2 n MET 60 Ca -0.04 -4.23 0.00 0.00 -1.81 0.00 0.00 57.70 51.62 2kk2 n MET 60 Cb 0.53 -1.94 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 2kk2 n MET 60 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63