#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 4.35 0.61 2.98 0.01 -1.26 -5.01 114.94 116.62 2kk2 s ASN 2 Ca 0.00 -0.34 0.34 0.00 -0.71 0.00 0.00 52.86 52.15 2kk2 s ASN 2 Cb 0.00 -1.73 1.97 0.00 0.41 0.00 0.00 41.25 41.90 2kk2 s ASN 2 CO 0.00 0.03 2.28 1.55 -1.51 0.00 0.00 177.10 179.45 2kk2 h PRO 3 N 7.72 0.00 0.00 -0.60 0.13 -1.91 -1.97 132.00 135.37 2kk2 h PRO 3 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2kk2 h PRO 3 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kk2 h PRO 3 CO 0.60 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 178.77 2kk2 n GLU 4 N -3.62 0.04 0.01 0.86 1.02 -1.26 -2.14 120.64 115.54 2kk2 n GLU 4 Ca -0.03 0.49 -0.07 0.00 -0.02 0.00 0.00 57.16 57.53 2kk2 n GLU 4 Cb 0.09 -1.60 0.11 0.00 -0.02 0.00 0.00 31.44 30.01 2kk2 n GLU 4 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2kk2 h ASP 5 N 0.00 0.55 -0.48 1.62 1.82 -1.79 -3.12 116.42 115.01 2kk2 h ASP 5 Ca 0.00 -0.25 0.00 0.00 -0.39 0.00 0.00 57.03 56.39 2kk2 h ASP 5 Cb 0.05 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 39.90 2kk2 h ASP 5 CO 0.00 0.92 0.00 0.47 -1.61 0.00 0.00 179.24 179.02 2kk2 n ASP 6 N -4.01 4.68 -4.72 2.28 8.00 -0.91 -4.97 116.55 116.90 2kk2 n ASP 6 Ca -0.02 -2.74 -0.42 0.00 0.71 0.00 0.00 54.79 52.32 2kk2 n ASP 6 Cb 0.53 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 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 -2.37 2.92 -0.86 1.24 5.04 -1.18 -2.14 117.35 120.01 2kk2 s TYR 7 Ca 0.47 0.48 0.00 0.00 -2.44 0.00 0.00 57.07 55.59 2kk2 s TYR 7 Cb 0.34 -4.08 0.24 0.00 0.35 0.00 0.00 41.96 38.82 2kk2 s TYR 7 CO 0.16 -3.98 0.89 0.25 -1.34 0.00 0.00 175.55 171.53 2kk2 n THR 8 N 3.70 3.19 0.30 4.34 -2.24 -0.48 -4.95 114.28 118.14 2kk2 n THR 8 Ca 0.14 -5.28 0.19 0.00 -2.27 0.00 0.00 64.05 56.83 2kk2 n THR 8 Cb 0.36 -2.24 0.96 0.00 -2.10 0.00 0.00 70.33 67.31 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 5.38 0.00 -0.56 -0.78 0.13 -1.87 -0.24 132.00 134.06 2kk2 h PRO 9 Ca 0.18 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.26 2kk2 h PRO 9 Cb 0.73 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 2kk2 h PRO 9 CO 0.93 0.03 0.15 -0.07 -0.23 0.00 0.00 178.00 178.81 2kk2 h LEU 10 N 0.00 0.85 0.00 1.56 3.38 -1.98 -3.18 115.31 115.94 2kk2 h LEU 10 Ca -0.00 -0.23 -0.32 0.00 0.09 0.00 0.00 57.88 57.42 2kk2 h LEU 10 Cb 0.19 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 2kk2 h LEU 10 CO 0.00 0.85 -1.99 0.35 0.09 0.00 0.00 178.44 177.75 2kk2 n THR 11 N -4.40 1.53 -2.36 0.22 -2.24 -1.16 -4.97 114.28 100.89 2kk2 n THR 11 Ca 0.03 -0.82 -0.43 0.00 -2.27 0.00 0.00 64.05 60.56 2kk2 n THR 11 Cb 0.23 -0.83 -0.02 0.00 -2.10 0.00 0.00 70.33 67.61 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 7.02 0.65 -4.16 0.00 -0.04 -1.26 -4.72 135.00 132.50 2kk2 n PRO 13 Ca 0.15 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.46 2kk2 n PRO 13 Cb 0.45 -1.17 -0.13 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.48 0.71 0.81 0.54 3.76 -1.26 -5.14 115.29 113.23 2kk2 s HIS 14 Ca 0.00 -0.32 -0.12 0.00 -0.15 0.00 0.00 55.06 54.47 2kk2 s HIS 14 Cb 0.00 -0.43 0.08 0.00 1.11 0.00 0.00 32.58 33.33 2kk2 s HIS 14 CO 0.00 -0.03 1.11 0.95 -0.85 0.00 0.00 174.74 175.91 2kk2 s THR 15 N -0.83 2.87 -0.60 1.30 -4.23 -1.26 -4.75 115.64 108.14 2kk2 s THR 15 Ca -0.03 0.28 0.18 0.00 -1.18 0.00 0.00 61.69 60.94 2kk2 s THR 15 Cb -0.07 -3.06 0.18 0.00 1.34 0.00 0.00 72.50 70.89 2kk2 s THR 15 CO 0.00 -0.37 1.55 0.00 -0.54 0.00 0.00 174.62 175.26 2kk2 n ILE 16 N -3.45 1.08 -0.13 2.99 3.06 -1.26 -1.29 119.36 120.36 2kk2 n ILE 16 Ca 0.07 0.39 -0.09 0.00 -2.50 0.00 0.00 62.75 60.61 2kk2 n ILE 16 Cb 0.57 -1.31 -0.01 0.00 0.54 0.00 0.00 39.64 39.43 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 0.54 -1.45 9.51 0.02 -2.06 -3.40 113.55 116.71 2kk2 h SER 17 Ca 0.00 -0.19 -0.41 0.00 -0.84 0.00 0.00 61.79 60.34 2kk2 h SER 17 Cb 0.20 -0.14 -0.40 0.00 0.14 0.00 0.00 62.40 62.21 2kk2 h SER 17 CO 0.00 0.58 -1.19 1.33 -1.14 0.00 0.00 176.83 176.42 2kk2 n VAL 18 N -4.64 0.43 -0.12 2.27 0.24 -0.41 -4.86 118.33 111.24 2kk2 n VAL 18 Ca -0.01 -3.74 -0.20 0.00 -2.04 0.00 0.00 64.34 58.35 2kk2 n VAL 18 Cb 0.16 0.25 -0.10 0.00 -1.47 0.00 0.00 33.84 32.68 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 0.10 1.33 0.00 3.34 3.14 -0.49 -4.32 118.33 121.42 2kk2 n VAL 19 Ca 0.16 -0.45 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 2kk2 n VAL 19 Cb 0.74 -1.50 0.00 0.00 -1.06 0.00 0.00 33.84 32.02 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 -3.51 0.00 -0.22 1.45 -0.00 -1.26 -2.74 117.44 111.16 2kk2 n TRP 20 Ca -0.44 0.00 0.17 0.00 -0.00 0.00 0.00 57.50 57.24 2kk2 n TRP 20 Cb 0.90 -0.44 0.50 0.00 -0.00 0.00 0.00 31.31 32.27 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 0.55 -0.45 5.87 5.03 -1.93 0.11 116.97 126.15 2kk2 h TYR 21 Ca 0.00 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.28 2kk2 h TYR 21 Cb 0.00 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.09 2kk2 h TYR 21 CO 0.14 0.17 0.07 1.05 -1.32 0.00 0.00 178.16 178.27 2kk2 h GLU 22 N 0.43 0.69 -0.09 1.82 -0.00 -1.73 -0.09 114.58 115.62 2kk2 h GLU 22 Ca 0.43 -0.15 0.00 0.00 -0.00 0.00 0.00 59.36 59.65 2kk2 h GLU 22 Cb 1.02 -0.10 0.00 0.00 -0.00 0.00 0.00 28.75 29.67 2kk2 h GLU 22 CO -0.16 0.66 0.00 0.00 -0.00 0.00 0.00 179.01 179.51 2kk2 n THR 24 N 0.68 0.00 0.00 0.00 -2.24 -0.03 -3.52 114.28 109.17 2kk2 n THR 24 Ca 0.08 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2kk2 n THR 24 Cb 0.34 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 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 -0.71 0.00 -2.49 -0.78 2.13 -0.14 -3.97 120.64 114.68 2kk2 n GLU 25 Ca 0.00 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.42 2kk2 n GLU 25 Cb 0.00 -0.36 -0.03 0.00 0.27 0.00 0.00 31.44 31.32 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 -1.96 6.19 0.55 4.31 2.47 -0.65 -4.88 114.94 120.97 2kk2 s ASN 26 Ca 0.00 -0.87 0.26 0.00 0.42 0.00 0.00 52.86 52.67 2kk2 s ASN 26 Cb 0.00 -2.56 1.41 0.00 -1.45 0.00 0.00 41.25 38.65 2kk2 s ASN 26 CO 0.00 -1.79 1.77 0.71 -3.72 0.00 0.00 177.10 174.07 2kk2 h THR 27 N 6.52 0.00 0.00 -5.21 1.35 -1.87 0.14 112.91 113.84 2kk2 h THR 27 Ca -0.03 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.80 2kk2 h THR 27 Cb 1.04 0.58 -0.00 0.00 -1.73 0.00 0.00 68.15 68.03 2kk2 h THR 27 CO 1.34 0.00 -0.15 0.00 -0.25 0.00 0.00 175.52 176.46 2kk2 h ALA 28 N 1.39 1.03 0.00 6.62 0.00 -1.89 -3.36 119.26 123.04 2kk2 h ALA 28 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2kk2 h ALA 28 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2kk2 h ALA 28 CO 0.00 0.18 -0.83 0.09 0.00 0.00 0.00 179.25 178.69 2kk2 n ASN 29 N -3.31 3.35 -4.69 0.00 3.02 -0.52 -5.06 115.26 108.06 2kk2 n ASN 29 Ca 0.00 0.00 -0.59 0.00 -0.03 0.00 0.00 54.58 53.96 2kk2 n ASN 29 Cb 0.38 0.02 -0.08 0.00 -0.61 0.00 0.00 39.78 39.49 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 3.72 0.58 0.14 0.00 0.00 -1.23 -2.68 105.19 105.73 2kk2 n GLY 31 Ca 0.26 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 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 0.96 1.05 -0.76 2.61 2.02 -1.50 -1.49 112.91 115.81 2kk2 h THR 32 Ca 0.00 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 2kk2 h THR 32 Cb 0.00 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 2kk2 h THR 32 CO 0.00 0.07 0.41 0.00 0.37 0.00 0.00 175.52 176.37 2kk2 h ALA 33 N 1.12 1.30 -0.02 6.16 0.00 -1.89 -1.56 119.26 124.38 2kk2 h ALA 33 Ca 0.11 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2kk2 h ALA 33 Cb -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2kk2 h ALA 33 CO -0.04 0.57 -0.03 0.00 0.00 0.00 0.00 179.25 179.74 2kk2 h ASP 36 N -0.64 0.77 0.14 0.00 1.82 -1.24 0.27 116.42 117.54 2kk2 h ASP 36 Ca -0.04 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 2kk2 h ASP 36 Cb 0.53 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.34 2kk2 h ASP 36 CO 0.03 0.70 0.00 -1.20 -1.61 0.00 0.00 179.24 177.16 2kk2 n SER 37 N -4.32 0.00 0.00 2.28 7.64 -0.58 -3.42 113.62 115.22 2kk2 n SER 37 Ca 0.05 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2kk2 n SER 37 Cb 0.17 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 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 -0.34 0.47 0.00 0.08 0.81 -1.39 117.98 117.54 2kk2 s PHE 39 Ca 0.00 0.81 0.06 0.00 0.12 0.00 0.00 56.93 57.92 2kk2 s PHE 39 Cb 0.00 0.10 -0.01 0.00 -0.57 0.00 0.00 43.02 42.53 2kk2 s PHE 39 CO 0.00 -0.20 0.25 -1.21 -0.10 0.00 0.00 175.22 173.96 2kk2 s GLU 40 N 0.72 2.26 4.51 0.44 2.02 -0.91 -3.85 118.70 123.89 2kk2 s GLU 40 Ca -0.05 -1.95 0.00 0.00 0.02 0.00 0.00 54.97 53.00 2kk2 s GLU 40 Cb -0.06 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.17 2kk2 s GLU 40 CO -0.05 -0.33 0.00 1.28 0.02 0.00 0.00 175.26 176.19 2kk2 n LEU 41 N -1.45 0.00 -0.09 1.80 4.77 -1.26 -0.53 117.00 120.24 2kk2 n LEU 41 Ca -0.03 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.93 2kk2 n LEU 41 Cb 0.64 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.97 2kk2 n LEU 41 CO 0.42 0.00 0.98 0.74 -1.33 0.00 0.00 177.39 178.21 2kk2 h THR 42 N 0.00 1.21 -0.56 -5.08 2.02 -1.97 -2.33 112.91 106.20 2kk2 h THR 42 Ca 0.00 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 2kk2 h THR 42 Cb 0.00 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 2kk2 h THR 42 CO 0.00 0.28 0.26 1.23 0.37 0.00 0.00 175.52 177.66 2kk2 h GLY 43 N 0.91 0.87 0.58 2.16 0.00 -1.41 -0.98 103.07 105.21 2kk2 h GLY 43 Ca 0.16 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2kk2 h GLY 43 CO -0.00 0.42 -0.33 -0.57 0.00 0.00 0.00 176.54 176.05 2kk2 h ASN 44 N 0.76 -0.92 -0.87 0.19 -0.73 -0.53 -0.13 115.58 113.35 2kk2 h ASN 44 Ca 0.19 0.09 0.08 0.00 1.87 0.00 0.00 56.30 58.53 2kk2 h ASN 44 Cb 0.13 0.32 -0.06 0.00 0.27 0.00 0.00 38.32 38.98 2kk2 h ASN 44 CO -0.02 -0.46 0.56 0.74 -0.37 0.00 0.00 177.43 177.89 2kk2 h THR 45 N -0.66 1.02 -0.14 -3.57 2.02 -1.11 0.12 112.91 110.58 2kk2 h THR 45 Ca -0.01 -0.32 -0.08 0.00 0.77 0.00 0.00 66.41 66.78 2kk2 h THR 45 Cb 0.62 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 2kk2 h THR 45 CO -0.10 0.17 -0.21 0.24 0.37 0.00 0.00 175.52 175.99 2kk2 h MET 46 N 0.92 0.39 -0.18 6.66 2.86 -0.89 -1.97 114.93 122.72 2kk2 h MET 46 Ca 0.39 -0.23 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 2kk2 h MET 46 Cb 0.30 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 2kk2 h MET 46 CO -0.15 0.81 0.05 0.00 1.06 0.00 0.00 176.91 178.68 2kk2 h LEU 48 N 0.13 0.04 -0.56 0.00 3.38 -0.90 -0.23 115.31 117.18 2kk2 h LEU 48 Ca 0.08 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.23 2kk2 h LEU 48 Cb 0.06 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.82 2kk2 h LEU 48 CO -0.09 0.06 0.06 0.25 0.09 0.00 0.00 178.44 178.81 2kk2 h LEU 49 N 0.25 -0.11 -0.02 1.67 5.85 -0.66 0.36 115.31 122.65 2kk2 h LEU 49 Ca 0.22 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 59.02 2kk2 h LEU 49 Cb 0.27 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2kk2 h LEU 49 CO -0.28 -0.04 -0.15 -0.61 -0.34 0.00 0.00 178.44 177.03 2kk2 h GLN 50 N 0.19 0.13 0.19 1.25 5.75 -0.45 -2.37 115.11 119.80 2kk2 h GLN 50 Ca 0.29 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 2kk2 h GLN 50 Cb 0.43 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 2kk2 h GLN 50 CO -0.42 0.81 -0.18 0.00 -2.65 0.00 0.00 178.83 176.39 2kk2 h ALA 51 N 0.33 -0.36 -0.25 3.38 0.00 -0.97 -3.05 119.26 118.33 2kk2 h ALA 51 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2kk2 h ALA 51 Cb 0.84 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2kk2 h ALA 51 CO 0.03 -0.73 0.00 0.41 0.00 0.00 0.00 179.25 178.96 2kk2 n GLY 52 N -1.30 1.65 0.23 0.00 0.00 0.11 -4.49 105.19 101.39 2kk2 n GLY 52 Ca -0.08 -0.36 -0.06 0.00 0.00 0.00 0.00 46.02 45.52 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 3.01 -0.41 -0.70 4.61 0.00 -1.31 -3.39 119.26 121.07 2kk2 h ALA 53 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kk2 h ALA 53 Cb 0.92 1.07 -0.18 0.00 0.00 0.00 0.00 17.79 19.59 2kk2 h ALA 53 CO 0.15 -0.59 -0.33 0.00 0.00 0.00 0.00 179.25 178.48 2kk2 s ALA 54 N -4.74 -3.14 -1.49 0.00 0.00 -1.26 -5.03 121.76 106.10 2kk2 s ALA 54 Ca -0.07 0.53 -0.08 0.00 0.00 0.00 0.00 51.96 52.33 2kk2 s ALA 54 Cb 0.05 -2.84 0.06 0.00 0.00 0.00 0.00 23.12 20.39 2kk2 s ALA 54 CO 0.32 -2.33 0.75 0.41 0.00 0.00 0.00 175.76 174.91 2kk2 n GLY 55 N 3.95 -0.37 0.10 0.00 0.00 -1.26 -4.90 105.19 102.71 2kk2 n GLY 55 Ca 0.10 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.15 2kk2 n GLY 55 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kk2 h SER 56 N -1.87 -0.13 0.00 1.61 0.02 -1.93 -3.47 113.55 107.78 2kk2 h SER 56 Ca -0.60 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.10 2kk2 h SER 56 Cb 1.37 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.95 2kk2 h SER 56 CO 0.66 0.19 0.00 0.61 -1.14 0.00 0.00 176.83 177.15 2kk2 n GLY 57 N -0.33 -0.06 3.90 -3.77 0.00 -1.26 -5.14 105.19 98.53 2kk2 n GLY 57 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 -4.20 6.12 0.00 0.00 -1.08 -1.09 -4.95 116.67 111.46 2kk2 s ASP 59 Ca 0.52 -0.15 0.00 0.00 -0.52 0.00 0.00 52.55 52.40 2kk2 s ASP 59 Cb -0.11 -2.16 0.00 0.00 -1.46 0.00 0.00 42.92 39.19 2kk2 s ASP 59 CO 0.47 -0.21 0.48 0.23 0.52 0.00 0.00 175.17 176.66 2kk2 n MET 60 N 5.21 0.95 0.00 4.34 2.81 -1.26 -1.47 117.12 127.71 2kk2 n MET 60 Ca -0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 2kk2 n MET 60 Cb 0.50 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.54 2kk2 n MET 60 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87