#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk2 s ASN 2 N 0.00 6.36 0.51 2.98 -0.87 -1.26 -5.00 114.94 117.65 2kk2 s ASN 2 Ca 0.00 0.41 0.23 0.00 -1.57 0.00 0.00 52.86 51.94 2kk2 s ASN 2 Cb 0.00 -2.12 1.35 0.00 -0.02 0.00 0.00 41.25 40.46 2kk2 s ASN 2 CO 0.00 0.22 2.07 1.55 -2.57 0.00 0.00 177.10 178.36 2kk2 h PRO 3 N 6.17 0.00 0.00 -0.60 0.13 -1.90 -1.77 132.00 134.03 2kk2 h PRO 3 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2kk2 h PRO 3 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kk2 h PRO 3 CO 0.71 0.13 0.00 0.39 -0.23 0.00 0.00 178.00 179.00 2kk2 n GLU 4 N -3.88 0.11 0.12 0.86 -0.58 -1.26 -1.22 120.64 114.79 2kk2 n GLU 4 Ca -0.02 0.17 0.13 0.00 -0.42 0.00 0.00 57.16 57.02 2kk2 n GLU 4 Cb 0.22 -1.50 0.40 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 0.00 1.62 3.58 -1.74 -3.32 116.42 116.55 2kk2 h ASP 5 Ca 0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 2kk2 h ASP 5 Cb 0.04 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 40.91 2kk2 h ASP 5 CO 0.00 0.00 -0.74 0.47 -2.88 0.00 0.00 179.24 176.09 2kk2 n ASP 6 N -2.36 0.53 -4.75 2.28 8.00 -0.35 -5.07 116.55 114.83 2kk2 n ASP 6 Ca 0.05 -2.05 -0.39 0.00 0.71 0.00 0.00 54.79 53.11 2kk2 n ASP 6 Cb 0.42 -0.26 0.04 0.00 -0.02 0.00 0.00 41.12 41.30 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 -0.11 2.29 -0.66 1.24 5.04 -0.85 -1.17 117.35 123.13 2kk2 s TYR 7 Ca 0.17 1.33 0.05 0.00 -2.44 0.00 0.00 57.07 56.18 2kk2 s TYR 7 Cb 0.19 -3.86 0.19 0.00 0.35 0.00 0.00 41.96 38.83 2kk2 s TYR 7 CO -0.08 -3.00 0.53 0.25 -1.34 0.00 0.00 175.55 171.91 2kk2 n THR 8 N -0.86 1.46 0.27 4.34 -2.24 0.05 -4.90 114.28 112.38 2kk2 n THR 8 Ca 0.09 -4.78 0.11 0.00 -2.27 0.00 0.00 64.05 57.20 2kk2 n THR 8 Cb 0.44 -2.11 0.74 0.00 -2.10 0.00 0.00 70.33 67.29 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 5.13 0.00 -0.80 -0.78 0.13 -1.89 -2.78 132.00 131.00 2kk2 h PRO 9 Ca 0.17 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.44 2kk2 h PRO 9 Cb 0.75 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.79 2kk2 h PRO 9 CO 0.70 0.06 0.38 -0.07 -0.23 0.00 0.00 178.00 178.85 2kk2 h LEU 10 N 0.00 0.44 0.00 1.56 -0.00 -1.96 -2.39 115.31 112.96 2kk2 h LEU 10 Ca -0.00 0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 57.96 2kk2 h LEU 10 Cb 0.13 0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 40.82 2kk2 h LEU 10 CO 0.01 0.19 -1.53 0.35 -0.00 0.00 0.00 178.44 177.46 2kk2 n THR 11 N -4.91 0.06 -2.60 0.22 -2.24 -1.24 -5.04 114.28 98.52 2kk2 n THR 11 Ca 0.15 -0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 2kk2 n THR 11 Cb 0.41 0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 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 3.14 0.19 -4.16 0.00 -0.04 -1.26 -4.78 135.00 128.10 2kk2 n PRO 13 Ca 0.05 0.15 -0.29 0.00 -0.04 0.00 0.00 63.50 63.37 2kk2 n PRO 13 Cb 0.48 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.65 2.93 0.38 0.54 3.76 -1.26 -5.13 115.29 113.86 2kk2 s HIS 14 Ca 0.14 -0.07 0.02 0.00 -0.15 0.00 0.00 55.06 55.00 2kk2 s HIS 14 Cb 0.11 -1.48 -0.01 0.00 1.11 0.00 0.00 32.58 32.31 2kk2 s HIS 14 CO 0.25 0.49 0.57 0.95 -0.85 0.00 0.00 174.74 176.15 2kk2 s THR 15 N -1.45 4.40 0.51 1.30 -4.23 -1.26 -4.88 115.64 110.03 2kk2 s THR 15 Ca 0.26 -0.64 0.42 0.00 -1.18 0.00 0.00 61.69 60.55 2kk2 s THR 15 Cb -0.11 -3.59 0.43 0.00 1.34 0.00 0.00 72.50 70.57 2kk2 s THR 15 CO 0.18 -0.35 2.27 -0.29 -0.54 0.00 0.00 174.62 175.89 2kk2 h ILE 16 N 0.66 0.00 -0.13 2.99 2.10 -2.00 -0.26 117.51 120.87 2kk2 h ILE 16 Ca -0.47 -0.13 -0.01 0.00 1.08 0.00 0.00 64.86 65.32 2kk2 h ILE 16 Cb 1.24 1.12 -0.01 0.00 -1.09 0.00 0.00 36.82 38.09 2kk2 h ILE 16 CO 0.58 0.00 0.02 0.28 -1.08 0.00 0.00 178.15 177.95 2kk2 h SER 17 N 0.00 0.20 -0.94 2.19 0.02 -2.06 -3.37 113.55 109.59 2kk2 h SER 17 Ca 0.00 -0.25 -0.47 0.00 -0.84 0.00 0.00 61.79 60.23 2kk2 h SER 17 Cb 0.13 -0.05 -0.42 0.00 0.14 0.00 0.00 62.40 62.20 2kk2 h SER 17 CO 0.00 0.41 -0.92 1.33 -1.14 0.00 0.00 176.83 176.51 2kk2 n VAL 18 N -4.83 1.98 -0.13 2.27 0.24 -0.23 -4.71 118.33 112.93 2kk2 n VAL 18 Ca -0.05 -3.97 -0.26 0.00 -2.04 0.00 0.00 64.34 58.02 2kk2 n VAL 18 Cb 0.17 -0.39 -0.09 0.00 -1.47 0.00 0.00 33.84 32.05 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 -0.52 1.52 0.46 3.34 3.14 -0.51 -4.27 118.33 121.50 2kk2 n VAL 19 Ca 0.30 -0.25 -0.19 0.00 -2.96 0.00 0.00 64.34 61.24 2kk2 n VAL 19 Cb 0.82 -1.97 -0.09 0.00 -1.06 0.00 0.00 33.84 31.54 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 -1.00 -1.09 -0.76 1.45 2.91 -1.85 -1.13 115.95 114.48 2kk2 h TRP 20 Ca -0.55 -0.03 0.16 0.00 1.13 0.00 0.00 58.89 59.61 2kk2 h TRP 20 Cb 1.46 0.36 -0.10 0.00 -0.51 0.00 0.00 29.16 30.37 2kk2 h TRP 20 CO -0.09 -0.67 0.26 -0.92 -1.03 0.00 0.00 178.44 175.98 2kk2 h TYR 21 N -1.22 0.42 -0.32 2.65 3.20 -1.90 -2.63 116.97 117.16 2kk2 h TYR 21 Ca -0.12 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.67 2kk2 h TYR 21 Cb 0.90 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 2kk2 h TYR 21 CO -0.01 -0.02 -0.28 1.05 -1.64 0.00 0.00 178.16 177.27 2kk2 h GLU 22 N 0.36 0.76 -0.17 1.82 -0.00 -1.53 0.84 114.58 116.65 2kk2 h GLU 22 Ca 0.43 -0.39 0.00 0.00 -0.00 0.00 0.00 59.36 59.40 2kk2 h GLU 22 Cb 0.71 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.47 2kk2 h GLU 22 CO -0.46 1.01 0.00 0.00 -0.00 0.00 0.00 179.01 179.56 2kk2 n THR 24 N 0.64 0.00 0.00 0.00 -2.24 -0.95 -3.45 114.28 108.28 2kk2 n THR 24 Ca 0.17 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2kk2 n THR 24 Cb 0.42 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.87 0.00 -2.16 -0.78 2.13 0.25 -4.33 120.64 114.88 2kk2 n GLU 25 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 2kk2 n GLU 25 Cb 0.00 -0.35 -0.05 0.00 0.27 0.00 0.00 31.44 31.31 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 -2.06 5.43 0.44 4.31 2.47 -1.05 -4.83 114.94 119.64 2kk2 s ASN 26 Ca 0.00 -0.83 0.30 0.00 0.42 0.00 0.00 52.86 52.75 2kk2 s ASN 26 Cb 0.00 -2.56 1.60 0.00 -1.45 0.00 0.00 41.25 38.84 2kk2 s ASN 26 CO 0.00 -2.48 1.91 0.71 -3.72 0.00 0.00 177.10 173.52 2kk2 h THR 27 N 7.16 0.00 0.00 -5.21 1.35 -1.87 0.77 112.91 115.11 2kk2 h THR 27 Ca 0.12 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.96 2kk2 h THR 27 Cb 1.01 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2kk2 h THR 27 CO 1.26 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.53 2kk2 n ALA 28 N -1.88 1.78 -1.97 6.62 0.00 -1.26 -4.11 120.51 119.68 2kk2 n ALA 28 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2kk2 n ALA 28 Cb 0.06 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2kk2 n ALA 28 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2kk2 n ASN 29 N -1.37 0.00 -4.78 0.00 2.04 -0.52 -5.16 115.26 105.47 2kk2 n ASN 29 Ca 0.06 -1.00 -0.34 0.00 -0.44 0.00 0.00 54.58 52.86 2kk2 n ASN 29 Cb 0.14 0.00 0.02 0.00 -2.53 0.00 0.00 39.78 37.41 2kk2 n ASN 29 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2kk2 n GLY 31 N -0.39 0.28 0.17 0.00 0.00 -1.22 -2.27 105.19 101.75 2kk2 n GLY 31 Ca 0.10 -1.77 -0.07 0.00 0.00 0.00 0.00 46.02 44.28 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 0.99 0.00 2.61 2.02 -1.77 -1.33 112.91 115.43 2kk2 h THR 32 Ca 0.00 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 2kk2 h THR 32 Cb 0.00 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2kk2 h THR 32 CO 0.00 0.08 -0.06 0.00 0.37 0.00 0.00 175.52 175.90 2kk2 h ALA 33 N 1.20 1.75 0.22 6.16 0.00 -1.94 -0.27 119.26 126.38 2kk2 h ALA 33 Ca 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2kk2 h ALA 33 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kk2 h ALA 33 CO -0.10 0.08 -0.11 0.00 0.00 0.00 0.00 179.25 179.12 2kk2 n ASP 36 N -4.94 0.09 -0.25 0.00 9.92 -0.16 -0.21 116.55 121.00 2kk2 n ASP 36 Ca 0.05 0.53 0.03 0.00 -0.53 0.00 0.00 54.79 54.86 2kk2 n ASP 36 Cb 0.17 -0.54 0.07 0.00 -0.64 0.00 0.00 41.12 40.18 2kk2 n ASP 36 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2kk2 n SER 37 N -1.60 2.40 0.00 -2.24 7.64 -0.79 -4.67 113.62 114.36 2kk2 n SER 37 Ca 0.02 -2.09 0.00 0.00 1.01 0.00 0.00 58.87 57.81 2kk2 n SER 37 Cb 0.13 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 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 -0.09 -0.18 0.32 0.00 0.08 0.71 -0.77 117.98 118.04 2kk2 s PHE 39 Ca 0.00 0.21 0.05 0.00 0.12 0.00 0.00 56.93 57.31 2kk2 s PHE 39 Cb 0.00 0.11 -0.06 0.00 -0.57 0.00 0.00 43.02 42.50 2kk2 s PHE 39 CO 0.00 -0.44 0.01 -1.21 -0.10 0.00 0.00 175.22 173.48 2kk2 s GLU 40 N -1.73 1.67 5.25 0.44 0.41 -0.31 -4.29 118.70 120.13 2kk2 s GLU 40 Ca -0.11 -1.91 0.00 0.00 -0.41 0.00 0.00 54.97 52.55 2kk2 s GLU 40 Cb -0.04 -1.08 0.00 0.00 -1.78 0.00 0.00 34.13 31.23 2kk2 s GLU 40 CO 0.02 -0.09 0.00 1.28 -0.49 0.00 0.00 175.26 175.98 2kk2 n LEU 41 N -0.70 0.00 0.27 1.80 4.77 -1.26 -0.52 117.00 121.35 2kk2 n LEU 41 Ca -0.04 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.07 2kk2 n LEU 41 Cb 0.66 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 42.48 2kk2 n LEU 41 CO 0.43 0.00 0.98 0.74 -1.33 0.00 0.00 177.39 178.21 2kk2 h THR 42 N 0.00 0.53 -0.30 -5.08 2.02 -1.98 -1.32 112.91 106.77 2kk2 h THR 42 Ca 0.00 -0.52 -0.09 0.00 0.77 0.00 0.00 66.41 66.57 2kk2 h THR 42 Cb 0.00 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 2kk2 h THR 42 CO 0.00 0.11 -0.15 1.23 0.37 0.00 0.00 175.52 177.08 2kk2 h GLY 43 N 0.89 0.69 0.86 2.16 0.00 -1.25 -0.21 103.07 106.22 2kk2 h GLY 43 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2kk2 h GLY 43 CO 0.01 0.57 -0.13 -0.57 0.00 0.00 0.00 176.54 176.42 2kk2 h ASN 44 N 0.40 -0.34 -0.31 0.19 -0.73 -0.15 -0.28 115.58 114.36 2kk2 h ASN 44 Ca 0.07 0.03 0.07 0.00 1.87 0.00 0.00 56.30 58.34 2kk2 h ASN 44 Cb 0.67 0.11 -0.08 0.00 0.27 0.00 0.00 38.32 39.30 2kk2 h ASN 44 CO 0.05 -0.20 -0.31 0.74 -0.37 0.00 0.00 177.43 177.33 2kk2 h THR 45 N -0.30 0.27 -0.74 -3.57 2.02 -1.20 -0.10 112.91 109.29 2kk2 h THR 45 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2kk2 h THR 45 Cb 0.27 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 2kk2 h THR 45 CO -0.02 0.00 0.42 0.24 0.37 0.00 0.00 175.52 176.52 2kk2 h MET 46 N -0.29 1.03 0.21 6.66 2.86 -0.69 0.06 114.93 124.77 2kk2 h MET 46 Ca 0.15 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2kk2 h MET 46 Cb 0.53 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 2kk2 h MET 46 CO -0.47 0.76 -0.17 0.00 1.06 0.00 0.00 176.91 178.09 2kk2 h LEU 48 N -0.39 0.26 -1.07 0.00 3.38 -0.69 0.66 115.31 117.45 2kk2 h LEU 48 Ca -0.01 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.17 2kk2 h LEU 48 Cb 0.35 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 2kk2 h LEU 48 CO -0.02 0.17 0.62 -0.07 0.09 0.00 0.00 178.44 179.22 2kk2 h LEU 49 N 0.43 0.82 0.02 1.67 3.38 -0.73 -0.75 115.31 120.15 2kk2 h LEU 49 Ca 0.28 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.28 2kk2 h LEU 49 Cb 0.30 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2kk2 h LEU 49 CO -0.26 0.39 -0.11 -0.61 0.09 0.00 0.00 178.44 177.94 2kk2 h GLN 50 N 0.86 0.05 -0.90 1.13 5.75 -0.67 -3.18 115.11 118.13 2kk2 h GLN 50 Ca 0.52 -0.07 0.08 0.00 -0.15 0.00 0.00 58.65 59.02 2kk2 h GLN 50 Cb 0.68 0.03 -0.07 0.00 1.07 0.00 0.00 27.48 29.19 2kk2 h GLN 50 CO -0.29 1.00 0.56 0.00 -2.65 0.00 0.00 178.83 177.45 2kk2 h ALA 51 N 0.05 1.27 -0.98 3.38 0.00 -0.57 -2.25 119.26 120.15 2kk2 h ALA 51 Ca -0.02 -0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.25 2kk2 h ALA 51 Cb 1.06 -0.23 -0.35 0.00 0.00 0.00 0.00 17.79 18.27 2kk2 h ALA 51 CO 0.02 0.28 0.19 0.41 0.00 0.00 0.00 179.25 180.14 2kk2 n GLY 52 N -1.34 6.00 0.00 0.00 0.00 -0.32 -4.51 105.19 105.03 2kk2 n GLY 52 Ca 0.14 -2.50 0.00 0.00 0.00 0.00 0.00 46.02 43.66 2kk2 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk2 n ALA 53 N -0.74 -0.18 -2.44 4.61 0.00 -0.85 -4.50 120.51 116.40 2kk2 n ALA 53 Ca 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.94 2kk2 n ALA 53 Cb 0.69 0.29 0.04 0.00 0.00 0.00 0.00 19.45 20.47 2kk2 n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kk2 n ALA 54 N -2.47 3.09 0.00 0.00 0.00 -1.26 -5.02 120.51 114.86 2kk2 n ALA 54 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.14 2kk2 n ALA 54 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.65 0.16 7.00 0.00 0.00 -1.26 -5.14 105.19 105.29 2kk2 n GLY 55 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 -2.92 0.00 1.61 2.88 -1.26 -4.59 113.62 109.33 2kk2 n SER 56 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2kk2 n SER 56 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.54 3.68 0.46 0.00 -1.26 -5.11 105.19 102.42 2kk2 n GLY 57 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.15 4.49 -0.52 0.00 2.15 -0.96 -4.93 116.67 112.74 2kk2 s ASP 59 Ca 0.72 -2.50 -0.20 0.00 0.43 0.00 0.00 52.55 50.99 2kk2 s ASP 59 Cb -0.08 -1.57 0.06 0.00 -0.30 0.00 0.00 42.92 41.03 2kk2 s ASP 59 CO 0.55 -0.32 0.69 -0.04 -0.17 0.00 0.00 175.17 175.89 2kk2 s MET 60 N 0.42 3.15 0.00 4.34 -1.94 -1.26 -2.09 119.30 121.93 2kk2 s MET 60 Ca 0.14 -0.81 0.00 0.00 -1.71 0.00 0.00 55.69 53.31 2kk2 s MET 60 Cb -0.22 -4.10 0.00 0.00 2.01 0.00 0.00 34.83 32.51 2kk2 s MET 60 CO -0.05 -1.30 0.00 0.39 -0.01 0.00 0.00 175.02 174.04