#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 -0.53 0.30 2.98 4.13 -1.26 -4.71 115.26 116.17 2kk2 n ASN 2 Ca 0.00 0.00 0.16 0.00 1.68 0.00 0.00 54.58 56.42 2kk2 n ASN 2 Cb 0.00 0.28 0.92 0.00 -1.54 0.00 0.00 39.78 39.43 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 0.00 0.00 -0.12 3.52 0.13 -1.89 -0.92 132.00 132.72 2kk2 h PRO 3 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.16 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 0.04 0.33 0.93 -0.23 0.00 0.00 178.00 179.07 2kk2 h GLU 4 N 0.00 0.00 0.00 0.86 5.08 -1.94 -1.36 114.58 117.22 2kk2 h GLU 4 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kk2 h GLU 4 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2kk2 h GLU 4 CO 0.01 0.00 0.00 0.22 -1.00 0.00 0.00 179.01 178.24 2kk2 h ASP 5 N 0.00 0.00 0.00 1.42 3.58 -1.44 -3.07 116.42 116.91 2kk2 h ASP 5 Ca 0.06 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 2kk2 h ASP 5 Cb 0.71 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.76 2kk2 h ASP 5 CO -0.00 0.00 -0.13 0.47 -2.88 0.00 0.00 179.24 176.70 2kk2 n ASP 6 N -2.87 1.79 -4.75 2.28 8.00 -0.58 -5.05 116.55 115.37 2kk2 n ASP 6 Ca 0.03 -2.86 -0.42 0.00 0.71 0.00 0.00 54.79 52.26 2kk2 n ASP 6 Cb 0.41 -0.38 -0.01 0.00 -0.02 0.00 0.00 41.12 41.12 2kk2 n ASP 6 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kk2 n TYR 7 N -1.09 2.88 -3.68 1.24 9.36 -0.80 -2.05 117.16 123.02 2kk2 n TYR 7 Ca 0.12 0.33 -0.33 0.00 3.32 0.00 0.00 57.90 61.34 2kk2 n TYR 7 Cb 0.66 -2.57 -0.08 0.00 -0.63 0.00 0.00 39.34 36.72 2kk2 n TYR 7 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 2kk2 n THR 8 N 1.49 2.65 0.27 2.97 -2.24 -0.27 -4.91 114.28 114.25 2kk2 n THR 8 Ca 0.06 -5.08 0.11 0.00 -2.27 0.00 0.00 64.05 56.87 2kk2 n THR 8 Cb 0.37 -2.29 0.74 0.00 -2.10 0.00 0.00 70.33 67.05 2kk2 n THR 8 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2kk2 h PRO 9 N 5.65 0.00 -0.84 -0.78 0.13 -1.87 -0.63 132.00 133.67 2kk2 h PRO 9 Ca 0.16 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.50 2kk2 h PRO 9 Cb 0.77 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.76 2kk2 h PRO 9 CO 0.83 0.03 0.05 -0.07 -0.23 0.00 0.00 178.00 178.61 2kk2 h LEU 10 N 0.00 -0.32 -0.01 1.56 4.07 -1.95 -2.88 115.31 115.78 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 0.06 0.37 0.00 0.00 1.08 0.00 0.00 40.66 42.17 2kk2 h LEU 10 CO 0.00 -0.22 -0.58 0.35 -1.08 0.00 0.00 178.44 176.92 2kk2 n THR 11 N -5.36 0.00 -3.46 0.22 -2.24 -0.61 -4.99 114.28 97.84 2kk2 n THR 11 Ca 0.17 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 2kk2 n THR 11 Cb 0.58 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.71 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 5.23 0.33 -4.69 0.00 -0.04 -1.26 -4.72 135.00 129.84 2kk2 n PRO 13 Ca -0.11 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.10 2kk2 n PRO 13 Cb 0.48 -1.10 -0.16 0.00 -0.04 0.00 0.00 33.50 32.68 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 -2.00 1.60 0.82 0.54 3.76 -1.26 -5.13 115.29 113.62 2kk2 s HIS 14 Ca 0.03 -0.57 -0.11 0.00 -0.15 0.00 0.00 55.06 54.26 2kk2 s HIS 14 Cb 0.01 -1.14 0.08 0.00 1.11 0.00 0.00 32.58 32.65 2kk2 s HIS 14 CO 0.02 -0.26 1.09 0.95 -0.85 0.00 0.00 174.74 175.69 2kk2 s THR 15 N 0.50 3.07 0.31 1.30 -4.23 -1.26 -4.63 115.64 110.69 2kk2 s THR 15 Ca -0.13 0.35 0.36 0.00 -1.18 0.00 0.00 61.69 61.09 2kk2 s THR 15 Cb -0.15 -2.94 0.36 0.00 1.34 0.00 0.00 72.50 71.11 2kk2 s THR 15 CO 0.04 -0.46 2.09 -0.29 -0.54 0.00 0.00 174.62 175.46 2kk2 h ILE 16 N -1.23 0.00 0.02 2.99 2.10 -2.00 -0.08 117.51 119.32 2kk2 h ILE 16 Ca -0.47 -0.03 -0.22 0.00 1.08 0.00 0.00 64.86 65.22 2kk2 h ILE 16 Cb 1.26 0.84 -0.02 0.00 -1.09 0.00 0.00 36.82 37.81 2kk2 h ILE 16 CO 0.56 0.00 -1.06 0.28 -1.08 0.00 0.00 178.15 176.84 2kk2 h SER 17 N 0.00 0.08 -0.59 2.19 0.02 -2.06 -3.38 113.55 109.80 2kk2 h SER 17 Ca 0.00 -0.08 -0.39 0.00 -0.84 0.00 0.00 61.79 60.48 2kk2 h SER 17 Cb 0.03 -0.02 -0.41 0.00 0.14 0.00 0.00 62.40 62.14 2kk2 h SER 17 CO 0.00 1.06 -0.98 1.33 -1.14 0.00 0.00 176.83 177.11 2kk2 n VAL 18 N -3.38 1.87 -0.13 2.27 0.24 -0.14 -4.73 118.33 114.34 2kk2 n VAL 18 Ca -0.02 -3.55 -0.24 0.00 -2.04 0.00 0.00 64.34 58.49 2kk2 n VAL 18 Cb 0.96 0.13 -0.10 0.00 -1.47 0.00 0.00 33.84 33.36 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 -0.65 1.39 0.43 3.34 3.14 -0.60 -4.19 118.33 121.19 2kk2 n VAL 19 Ca 0.25 -0.40 -0.17 0.00 -2.96 0.00 0.00 64.34 61.06 2kk2 n VAL 19 Cb 0.88 -1.71 -0.08 0.00 -1.06 0.00 0.00 33.84 31.87 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 -0.66 -1.02 -0.89 1.45 2.91 -1.85 -1.46 115.95 114.43 2kk2 h TRP 20 Ca -0.62 -0.02 0.13 0.00 1.13 0.00 0.00 58.89 59.51 2kk2 h TRP 20 Cb 1.64 0.34 -0.09 0.00 -0.51 0.00 0.00 29.16 30.54 2kk2 h TRP 20 CO -0.05 -0.64 0.51 -0.92 -1.03 0.00 0.00 178.44 176.31 2kk2 h TYR 21 N -1.20 0.92 -0.36 2.65 3.20 -1.86 -0.54 116.97 119.78 2kk2 h TYR 21 Ca -0.11 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.67 2kk2 h TYR 21 Cb 0.85 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 2kk2 h TYR 21 CO 0.02 0.31 -0.28 1.05 -1.64 0.00 0.00 178.16 177.62 2kk2 h GLU 22 N 0.78 0.75 -0.21 1.82 -0.00 -1.68 0.55 114.58 116.59 2kk2 h GLU 22 Ca 0.46 -0.33 0.00 0.00 -0.00 0.00 0.00 59.36 59.49 2kk2 h GLU 22 Cb 0.54 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.27 2kk2 h GLU 22 CO -0.30 0.94 0.00 0.00 -0.00 0.00 0.00 179.01 179.65 2kk2 n THR 24 N 1.38 0.00 0.01 0.00 -2.24 -0.25 -3.47 114.28 109.71 2kk2 n THR 24 Ca 0.17 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2kk2 n THR 24 Cb 0.59 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 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 -0.74 0.00 -1.76 -0.78 0.00 0.12 -4.39 120.64 113.09 2kk2 n GLU 25 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.76 2kk2 n GLU 25 Cb 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 31.44 31.13 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 -5.06 5.22 0.25 4.31 2.47 -0.80 -4.84 114.94 116.49 2kk2 s ASN 26 Ca 0.00 1.26 0.20 0.00 0.42 0.00 0.00 52.86 54.74 2kk2 s ASN 26 Cb 0.00 -2.51 0.97 0.00 -1.45 0.00 0.00 41.25 38.26 2kk2 s ASN 26 CO 0.00 -2.24 1.60 0.35 -3.72 0.00 0.00 177.10 173.09 2kk2 n THR 27 N 7.66 1.06 1.18 -5.21 -2.24 -1.26 -0.66 114.28 114.81 2kk2 n THR 27 Ca 0.29 0.53 0.11 0.00 -2.27 0.00 0.00 64.05 62.70 2kk2 n THR 27 Cb 0.49 -1.49 0.59 0.00 -2.10 0.00 0.00 70.33 67.82 2kk2 n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kk2 n ALA 28 N -1.74 2.20 0.00 6.98 0.00 -1.26 -4.45 120.51 122.25 2kk2 n ALA 28 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2kk2 n ALA 28 Cb 0.10 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.20 2kk2 n ALA 28 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kk2 n ASN 29 N -1.15 0.00 -4.76 0.00 3.02 -0.43 -5.14 115.26 106.80 2kk2 n ASN 29 Ca 0.13 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.27 2kk2 n ASN 29 Cb 0.12 0.08 -0.01 0.00 -0.61 0.00 0.00 39.78 39.36 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 1.56 -2.55 0.17 0.00 0.00 -1.23 -1.44 105.19 101.71 2kk2 n GLY 31 Ca 0.06 -1.33 -0.07 0.00 0.00 0.00 0.00 46.02 44.68 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 1.01 -0.61 2.61 2.02 -1.77 -1.52 112.91 114.65 2kk2 h THR 32 Ca 0.00 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 2kk2 h THR 32 Cb 0.00 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 2kk2 h THR 32 CO 0.00 0.08 0.14 0.00 0.37 0.00 0.00 175.52 176.11 2kk2 h ALA 33 N 1.19 1.11 -0.21 6.16 0.00 -1.93 -0.99 119.26 124.60 2kk2 h ALA 33 Ca 0.16 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2kk2 h ALA 33 Cb 0.04 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 2kk2 h ALA 33 CO -0.10 0.59 -0.08 0.00 0.00 0.00 0.00 179.25 179.66 2kk2 h ASP 36 N -0.40 0.00 0.14 0.00 3.58 -0.66 0.36 116.42 119.44 2kk2 h ASP 36 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kk2 h ASP 36 Cb 0.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2kk2 h ASP 36 CO -0.04 0.00 -0.07 -1.20 -2.88 0.00 0.00 179.24 175.06 2kk2 n SER 37 N -3.06 0.80 0.00 2.28 7.64 -0.45 -4.40 113.62 116.43 2kk2 n SER 37 Ca 0.00 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 58.86 2kk2 n SER 37 Cb 0.29 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 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 -0.08 -0.54 0.41 0.00 0.08 0.11 -1.11 117.98 116.85 2kk2 s PHE 39 Ca 0.00 1.31 0.07 0.00 0.12 0.00 0.00 56.93 58.43 2kk2 s PHE 39 Cb 0.00 0.19 -0.08 0.00 -0.57 0.00 0.00 43.02 42.56 2kk2 s PHE 39 CO 0.00 -0.26 0.01 -1.21 -0.10 0.00 0.00 175.22 173.66 2kk2 s GLU 40 N 0.28 1.95 5.23 0.44 2.02 -0.87 -4.02 118.70 123.73 2kk2 s GLU 40 Ca -0.00 -2.10 0.00 0.00 0.02 0.00 0.00 54.97 52.89 2kk2 s GLU 40 Cb -0.03 -1.61 0.00 0.00 0.10 0.00 0.00 34.13 32.58 2kk2 s GLU 40 CO 0.00 -0.05 0.00 1.28 0.02 0.00 0.00 175.26 176.51 2kk2 n LEU 41 N -0.96 0.00 0.27 1.80 4.77 -1.26 -0.63 117.00 120.98 2kk2 n LEU 41 Ca -0.05 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.05 2kk2 n LEU 41 Cb 0.67 0.00 0.74 0.00 -2.33 0.00 0.00 43.42 42.50 2kk2 n LEU 41 CO 0.49 0.00 1.01 0.74 -1.33 0.00 0.00 177.39 178.30 2kk2 h THR 42 N 0.00 0.68 -0.28 -5.08 2.02 -1.98 -1.17 112.91 107.09 2kk2 h THR 42 Ca 0.00 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 66.75 2kk2 h THR 42 Cb 0.00 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2kk2 h THR 42 CO 0.00 0.09 -0.13 1.23 0.37 0.00 0.00 175.52 177.08 2kk2 h GLY 43 N 0.48 0.64 0.65 2.16 0.00 -1.15 0.12 103.07 105.97 2kk2 h GLY 43 Ca -0.00 -0.57 0.02 0.00 0.00 0.00 0.00 47.33 46.78 2kk2 h GLY 43 CO 0.01 0.52 -0.19 -0.57 0.00 0.00 0.00 176.54 176.30 2kk2 h ASN 44 N 0.34 -0.55 -0.31 0.19 -0.73 -0.48 -0.41 115.58 113.63 2kk2 h ASN 44 Ca 0.06 0.07 0.07 0.00 1.87 0.00 0.00 56.30 58.37 2kk2 h ASN 44 Cb 0.64 0.21 -0.07 0.00 0.27 0.00 0.00 38.32 39.37 2kk2 h ASN 44 CO 0.04 -0.27 -0.15 0.74 -0.37 0.00 0.00 177.43 177.41 2kk2 h THR 45 N -0.37 0.53 -0.53 -3.57 2.02 -0.96 -0.77 112.91 109.26 2kk2 h THR 45 Ca 0.03 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.11 2kk2 h THR 45 Cb 0.39 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 2kk2 h THR 45 CO -0.12 0.00 -0.07 0.24 0.37 0.00 0.00 175.52 175.94 2kk2 h MET 46 N -0.10 0.97 -0.11 6.66 2.86 -0.53 -0.61 114.93 124.06 2kk2 h MET 46 Ca 0.16 -0.33 0.03 0.00 -2.06 0.00 0.00 59.70 57.50 2kk2 h MET 46 Cb 0.35 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 2kk2 h MET 46 CO -0.38 1.00 -0.10 0.00 1.06 0.00 0.00 176.91 178.50 2kk2 h LEU 48 N -0.11 0.90 -1.74 0.00 3.38 -0.88 0.18 115.31 117.03 2kk2 h LEU 48 Ca 0.08 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.13 2kk2 h LEU 48 Cb 0.22 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2kk2 h LEU 48 CO -0.18 0.63 0.35 -0.07 0.09 0.00 0.00 178.44 179.26 2kk2 h LEU 49 N 1.06 0.26 0.02 1.67 4.07 -0.61 -0.44 115.31 121.34 2kk2 h LEU 49 Ca 0.32 0.01 -0.18 0.00 0.08 0.00 0.00 57.88 58.11 2kk2 h LEU 49 Cb -0.03 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.64 2kk2 h LEU 49 CO -0.10 0.16 -0.96 -0.61 -1.08 0.00 0.00 178.44 175.85 2kk2 h GLN 50 N 0.29 0.04 0.15 1.13 5.75 -0.62 -3.28 115.11 118.57 2kk2 h GLN 50 Ca 0.24 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 2kk2 h GLN 50 Cb 0.56 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 2kk2 h GLN 50 CO -0.05 1.03 -0.13 0.00 -2.65 0.00 0.00 178.83 177.03 2kk2 h ALA 51 N -0.29 -0.27 -0.44 3.38 0.00 -0.45 -2.62 119.26 118.56 2kk2 h ALA 51 Ca -0.25 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 2kk2 h ALA 51 Cb 1.30 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 2kk2 h ALA 51 CO -0.11 -0.67 0.06 0.41 0.00 0.00 0.00 179.25 178.94 2kk2 n GLY 52 N -1.25 2.71 0.23 0.00 0.00 -0.19 -4.55 105.19 102.14 2kk2 n GLY 52 Ca -0.08 -0.67 -0.06 0.00 0.00 0.00 0.00 46.02 45.21 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 3.15 -0.34 -0.08 4.61 0.00 -1.53 -3.33 119.26 121.75 2kk2 h ALA 53 Ca 0.06 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 2kk2 h ALA 53 Cb 1.65 1.17 -0.24 0.00 0.00 0.00 0.00 17.79 20.38 2kk2 h ALA 53 CO 0.41 -0.56 -0.58 0.00 0.00 0.00 0.00 179.25 178.52 2kk2 n ALA 54 N -3.11 3.02 0.00 0.00 0.00 -1.26 -4.99 120.51 114.17 2kk2 n ALA 54 Ca 0.01 -1.48 0.00 0.00 0.00 0.00 0.00 53.44 51.96 2kk2 n ALA 54 Cb 0.15 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.46 0.60 7.00 0.00 0.00 -1.25 -5.14 105.19 105.93 2kk2 n GLY 55 Ca -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.25 -0.19 1.61 7.64 -1.26 -4.53 113.62 115.65 2kk2 n SER 56 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 2kk2 n SER 56 Cb 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.25 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 1.92 3.67 0.23 0.00 -1.26 -5.09 105.19 104.66 2kk2 n GLY 57 Ca 0.00 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.38 6.39 -0.20 0.00 -1.08 -0.52 -4.92 116.67 112.96 2kk2 s ASP 59 Ca 0.65 0.35 -0.04 0.00 -0.52 0.00 0.00 52.55 53.00 2kk2 s ASP 59 Cb -0.19 -2.00 0.07 0.00 -1.46 0.00 0.00 42.92 39.34 2kk2 s ASP 59 CO 0.58 0.20 0.07 -0.04 0.52 0.00 0.00 175.17 176.50 2kk2 s MET 60 N -2.25 0.39 0.00 4.34 -1.94 -1.26 -2.05 119.30 116.52 2kk2 s MET 60 Ca 0.32 -0.34 0.21 0.00 -1.71 0.00 0.00 55.69 54.18 2kk2 s MET 60 Cb -0.13 -1.91 1.28 0.00 2.01 0.00 0.00 34.83 36.08 2kk2 s MET 60 CO 0.23 -0.71 1.66 -0.85 -0.01 0.00 0.00 175.02 175.34