#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 6.89 0.21 2.98 0.01 -1.26 -4.92 114.94 118.84 2kk2 s ASN 2 Ca 0.00 2.08 -0.18 0.00 -0.71 0.00 0.00 52.86 54.04 2kk2 s ASN 2 Cb 0.00 -2.56 0.19 0.00 0.41 0.00 0.00 41.25 39.28 2kk2 s ASN 2 CO 0.00 -0.69 1.58 -0.65 -1.51 0.00 0.00 177.10 175.83 2kk2 h PRO 3 N 7.69 -0.09 0.00 -0.60 0.11 -1.93 -3.10 132.00 134.08 2kk2 h PRO 3 Ca -0.38 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2kk2 h PRO 3 Cb 1.18 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kk2 h PRO 3 CO 0.89 -0.06 0.14 0.39 -0.21 0.00 0.00 178.00 179.15 2kk2 n GLU 4 N -5.46 0.00 0.15 1.05 1.02 -1.26 -0.43 120.64 115.71 2kk2 n GLU 4 Ca 0.07 0.14 0.02 0.00 -0.02 0.00 0.00 57.16 57.37 2kk2 n GLU 4 Cb 0.37 -1.64 0.36 0.00 -0.02 0.00 0.00 31.44 30.52 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 0.12 0.83 1.62 3.58 -1.96 -3.19 116.42 117.42 2kk2 h ASP 5 Ca 0.00 -0.03 -0.11 0.00 0.42 0.00 0.00 57.03 57.30 2kk2 h ASP 5 Cb 0.28 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 2kk2 h ASP 5 CO 0.00 0.40 -0.53 -2.24 -2.88 0.00 0.00 179.24 173.98 2kk2 h ASP 6 N 0.11 0.00 -2.59 2.28 2.03 -1.02 -3.49 116.42 113.74 2kk2 h ASP 6 Ca 0.02 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.79 2kk2 h ASP 6 Cb 0.55 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 39.09 2kk2 h ASP 6 CO 0.04 0.53 1.07 -0.47 -1.03 0.00 0.00 179.24 179.38 2kk2 s TYR 7 N -3.47 2.35 -0.42 4.15 5.04 -1.21 -4.69 117.35 119.11 2kk2 s TYR 7 Ca -0.00 0.12 -0.11 0.00 -2.44 0.00 0.00 57.07 54.64 2kk2 s TYR 7 Cb 0.11 -4.13 0.07 0.00 0.35 0.00 0.00 41.96 38.36 2kk2 s TYR 7 CO 0.73 -4.56 0.27 0.95 -1.34 0.00 0.00 175.55 171.60 2kk2 s THR 8 N 2.40 4.49 -1.47 4.34 -4.23 -0.65 -4.95 115.64 115.56 2kk2 s THR 8 Ca 0.78 -1.22 0.30 0.00 -1.18 0.00 0.00 61.69 60.37 2kk2 s THR 8 Cb -0.46 -3.68 0.49 0.00 1.34 0.00 0.00 72.50 70.19 2kk2 s THR 8 CO 0.35 -0.46 1.98 -0.81 -0.54 0.00 0.00 174.62 175.14 2kk2 n PRO 9 N 4.99 0.48 0.11 3.99 -0.04 -1.26 -3.43 135.00 139.83 2kk2 n PRO 9 Ca -0.11 -0.06 -0.03 0.00 -0.04 0.00 0.00 63.50 63.26 2kk2 n PRO 9 Cb 0.44 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.49 2kk2 n PRO 9 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2kk2 h LEU 10 N 0.15 0.03 -0.28 1.53 3.38 -1.97 -3.31 115.31 114.85 2kk2 h LEU 10 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2kk2 h LEU 10 Cb 0.32 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2kk2 h LEU 10 CO 0.00 0.74 0.00 0.35 0.09 0.00 0.00 178.44 179.62 2kk2 n THR 11 N -3.70 0.00 -2.64 0.22 -2.24 -1.26 -5.05 114.28 99.60 2kk2 n THR 11 Ca -0.01 -0.17 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 2kk2 n THR 11 Cb 0.70 1.53 -0.02 0.00 -2.10 0.00 0.00 70.33 70.43 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 6.11 0.68 -4.00 0.00 -0.04 -1.26 -4.73 135.00 131.76 2kk2 n PRO 13 Ca 0.12 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 2kk2 n PRO 13 Cb 0.46 -1.17 -0.12 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.50 0.33 0.59 0.54 3.76 -1.26 -5.16 115.29 112.59 2kk2 s HIS 14 Ca 0.00 -0.37 -0.10 0.00 -0.15 0.00 0.00 55.06 54.44 2kk2 s HIS 14 Cb 0.00 -0.22 -0.04 0.00 1.11 0.00 0.00 32.58 33.43 2kk2 s HIS 14 CO 0.00 -0.11 0.97 0.95 -0.85 0.00 0.00 174.74 175.71 2kk2 s THR 15 N -1.01 4.73 -0.70 1.30 -4.23 -1.26 -4.87 115.64 109.61 2kk2 s THR 15 Ca -0.09 0.71 0.12 0.00 -1.18 0.00 0.00 61.69 61.25 2kk2 s THR 15 Cb -0.07 -3.86 0.11 0.00 1.34 0.00 0.00 72.50 70.02 2kk2 s THR 15 CO -0.00 -1.07 1.36 0.00 -0.54 0.00 0.00 174.62 174.37 2kk2 n ILE 16 N -2.64 1.41 -0.13 2.99 3.06 -1.26 -1.10 119.36 121.69 2kk2 n ILE 16 Ca 0.05 0.49 -0.08 0.00 -2.50 0.00 0.00 62.75 60.71 2kk2 n ILE 16 Cb 0.54 -1.44 -0.00 0.00 0.54 0.00 0.00 39.64 39.28 2kk2 n ILE 16 CO 0.00 0.00 0.00 -1.28 -2.50 0.00 0.00 176.55 172.77 2kk2 h SER 17 N 0.00 0.46 -1.54 9.51 0.87 -2.06 -3.40 113.55 117.40 2kk2 h SER 17 Ca 0.00 -0.02 -0.45 0.00 -1.23 0.00 0.00 61.79 60.09 2kk2 h SER 17 Cb 0.09 -0.12 -0.31 0.00 -0.44 0.00 0.00 62.40 61.62 2kk2 h SER 17 CO 0.00 0.34 -0.87 1.33 -0.53 0.00 0.00 176.83 177.10 2kk2 n VAL 18 N -4.80 -0.59 -0.00 2.23 0.24 -0.26 -4.89 118.33 110.26 2kk2 n VAL 18 Ca 0.00 -2.98 -0.00 0.00 -2.04 0.00 0.00 64.34 59.32 2kk2 n VAL 18 Cb 0.03 -0.80 -0.00 0.00 -1.47 0.00 0.00 33.84 31.60 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 1.98 0.01 0.17 3.34 3.14 -1.04 -4.33 118.33 121.60 2kk2 n VAL 19 Ca 0.20 -0.01 -0.07 0.00 -2.96 0.00 0.00 64.34 61.51 2kk2 n VAL 19 Cb 0.54 -0.83 -0.03 0.00 -1.06 0.00 0.00 33.84 32.46 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 0.00 -0.41 -0.79 1.45 2.91 -1.89 -1.66 115.95 115.55 2kk2 h TRP 20 Ca -0.01 -0.01 0.19 0.00 1.13 0.00 0.00 58.89 60.19 2kk2 h TRP 20 Cb 1.01 0.14 -0.13 0.00 -0.51 0.00 0.00 29.16 29.67 2kk2 h TRP 20 CO 0.00 -0.26 0.15 -0.92 -1.03 0.00 0.00 178.44 176.39 2kk2 h TYR 21 N -0.59 0.22 -0.21 2.65 3.20 -1.95 -1.94 116.97 118.34 2kk2 h TYR 21 Ca -0.05 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 2kk2 h TYR 21 Cb 0.34 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 2kk2 h TYR 21 CO 0.08 -0.17 -0.22 1.05 -1.64 0.00 0.00 178.16 177.26 2kk2 h GLU 22 N 0.21 0.38 -0.02 1.82 -0.00 -1.75 0.23 114.58 115.44 2kk2 h GLU 22 Ca 0.46 -0.13 0.00 0.00 -0.00 0.00 0.00 59.36 59.70 2kk2 h GLU 22 Cb 0.85 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.57 2kk2 h GLU 22 CO -0.60 0.58 -0.36 0.00 -0.00 0.00 0.00 179.01 178.63 2kk2 n THR 24 N 0.31 0.00 0.00 0.00 -2.24 -0.87 -3.05 114.28 108.43 2kk2 n THR 24 Ca 0.10 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2kk2 n THR 24 Cb 0.50 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.64 0.00 -1.87 -0.78 2.13 0.04 -4.13 120.64 115.39 2kk2 n GLU 25 Ca 0.00 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 2kk2 n GLU 25 Cb 0.00 -0.22 -0.06 0.00 0.27 0.00 0.00 31.44 31.43 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 -4.24 4.69 0.00 4.31 2.47 -1.03 -4.82 114.94 116.32 2kk2 s ASN 26 Ca 0.00 -0.38 0.00 0.00 0.42 0.00 0.00 52.86 52.90 2kk2 s ASN 26 Cb 0.00 -2.56 0.01 0.00 -1.45 0.00 0.00 41.25 37.26 2kk2 s ASN 26 CO 0.00 -3.15 0.94 0.35 -3.72 0.00 0.00 177.10 171.52 2kk2 n THR 27 N 8.20 1.73 -0.24 -5.21 -2.24 -1.26 -1.02 114.28 114.23 2kk2 n THR 27 Ca 0.42 0.43 0.01 0.00 -2.27 0.00 0.00 64.05 62.64 2kk2 n THR 27 Cb 0.46 -1.43 0.13 0.00 -2.10 0.00 0.00 70.33 67.39 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 2.01 0.95 0.00 6.98 0.00 -1.92 -3.41 119.26 123.87 2kk2 h ALA 28 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kk2 h ALA 28 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2kk2 h ALA 28 CO 0.00 -0.05 0.00 0.27 0.00 0.00 0.00 179.25 179.47 2kk2 n ASN 29 N -4.86 0.00 -4.63 0.00 2.04 -0.43 -5.09 115.26 102.28 2kk2 n ASN 29 Ca 0.10 -0.52 -0.33 0.00 -0.44 0.00 0.00 54.58 53.39 2kk2 n ASN 29 Cb 0.26 0.00 0.13 0.00 -2.53 0.00 0.00 39.78 37.64 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 0.71 0.64 0.50 0.00 0.00 -1.17 -2.00 105.19 103.87 2kk2 n GLY 31 Ca 0.12 -1.85 -0.19 0.00 0.00 0.00 0.00 46.02 44.10 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 0.04 -0.56 2.61 2.02 -0.73 -1.17 112.91 115.13 2kk2 h THR 32 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 2kk2 h THR 32 Cb 0.00 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.42 2kk2 h THR 32 CO 0.00 0.00 0.37 0.00 0.37 0.00 0.00 175.52 176.26 2kk2 h ALA 33 N -0.92 1.90 0.41 6.16 0.00 -1.93 0.11 119.26 124.97 2kk2 h ALA 33 Ca -0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2kk2 h ALA 33 Cb 0.89 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2kk2 h ALA 33 CO 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 179.25 179.07 2kk2 n ASP 36 N -4.17 0.59 0.00 0.00 2.03 0.31 -3.01 116.55 112.30 2kk2 n ASP 36 Ca -0.02 -1.50 -0.02 0.00 0.52 0.00 0.00 54.79 53.76 2kk2 n ASP 36 Cb 0.20 -0.03 -0.01 0.00 -0.72 0.00 0.00 41.12 40.56 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 -0.41 0.90 0.10 1.67 7.64 -0.33 -4.88 113.62 118.31 2kk2 n SER 37 Ca 0.15 0.13 -0.04 0.00 1.01 0.00 0.00 58.87 60.13 2kk2 n SER 37 Cb 0.16 -0.36 0.01 0.00 -1.01 0.00 0.00 64.21 63.01 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 -3.08 2.70 0.08 0.00 0.08 -1.17 -1.64 117.98 114.95 2kk2 s PHE 39 Ca 0.00 -0.21 -0.01 0.00 0.12 0.00 0.00 56.93 56.83 2kk2 s PHE 39 Cb 0.11 -1.25 -0.04 0.00 -0.57 0.00 0.00 43.02 41.27 2kk2 s PHE 39 CO 0.79 0.57 0.00 -1.21 -0.10 0.00 0.00 175.22 175.27 2kk2 s GLU 40 N -3.30 0.72 3.97 0.44 2.02 -1.26 -4.47 118.70 116.83 2kk2 s GLU 40 Ca 0.29 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 53.98 2kk2 s GLU 40 Cb -0.08 0.22 0.00 0.00 0.10 0.00 0.00 34.13 34.38 2kk2 s GLU 40 CO 0.18 -0.16 0.00 1.28 0.02 0.00 0.00 175.26 176.58 2kk2 n LEU 41 N 0.04 0.00 0.11 1.80 4.77 -1.26 -0.70 117.00 121.76 2kk2 n LEU 41 Ca -0.11 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.84 2kk2 n LEU 41 Cb 0.62 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.82 2kk2 n LEU 41 CO 0.29 0.00 0.43 0.74 -1.33 0.00 0.00 177.39 177.52 2kk2 h THR 42 N 0.00 1.47 -0.60 -5.08 2.02 -1.98 -1.84 112.91 106.89 2kk2 h THR 42 Ca 0.00 -2.30 -0.09 0.00 0.77 0.00 0.00 66.41 64.79 2kk2 h THR 42 Cb 0.00 2.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 2kk2 h THR 42 CO 0.00 0.66 0.03 1.23 0.37 0.00 0.00 175.52 177.81 2kk2 h GLY 43 N 1.92 1.11 0.61 2.16 0.00 -1.27 0.42 103.07 108.03 2kk2 h GLY 43 Ca -0.01 -0.78 0.03 0.00 0.00 0.00 0.00 47.33 46.57 2kk2 h GLY 43 CO 0.09 0.72 -0.14 -0.57 0.00 0.00 0.00 176.54 176.64 2kk2 h ASN 44 N 0.95 -0.42 -0.76 0.19 -0.73 -0.86 0.39 115.58 114.34 2kk2 h ASN 44 Ca 0.18 0.07 0.04 0.00 1.87 0.00 0.00 56.30 58.45 2kk2 h ASN 44 Cb 0.51 0.18 -0.05 0.00 0.27 0.00 0.00 38.32 39.23 2kk2 h ASN 44 CO 0.02 -0.19 0.47 0.74 -0.37 0.00 0.00 177.43 178.10 2kk2 h THR 45 N -0.22 1.08 -0.46 -3.57 2.02 -0.67 0.26 112.91 111.35 2kk2 h THR 45 Ca 0.06 -0.31 -0.10 0.00 0.77 0.00 0.00 66.41 66.83 2kk2 h THR 45 Cb 0.30 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 2kk2 h THR 45 CO -0.16 0.17 -0.11 0.24 0.37 0.00 0.00 175.52 176.02 2kk2 h MET 46 N 0.91 0.89 0.12 6.66 2.86 -0.53 -1.08 114.93 124.76 2kk2 h MET 46 Ca 0.31 -0.34 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2kk2 h MET 46 Cb 0.06 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 2kk2 h MET 46 CO -0.13 0.99 -0.25 0.00 1.06 0.00 0.00 176.91 178.58 2kk2 h LEU 48 N -0.46 0.15 -0.28 0.00 3.38 -0.88 0.13 115.31 117.35 2kk2 h LEU 48 Ca 0.03 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.16 2kk2 h LEU 48 Cb 0.48 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 2kk2 h LEU 48 CO -0.14 0.08 -0.18 0.25 0.09 0.00 0.00 178.44 178.54 2kk2 h LEU 49 N 0.35 -0.59 0.01 1.67 6.46 -0.69 -1.84 115.31 120.69 2kk2 h LEU 49 Ca 0.33 0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 58.21 2kk2 h LEU 49 Cb 0.45 0.30 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 2kk2 h LEU 49 CO -0.36 -0.22 -0.01 -0.61 -0.62 0.00 0.00 178.44 176.63 2kk2 h GLN 50 N -0.16 -0.01 -0.75 1.25 5.75 -0.51 -1.75 115.11 118.93 2kk2 h GLN 50 Ca 0.15 0.00 0.17 0.00 -0.15 0.00 0.00 58.65 58.82 2kk2 h GLN 50 Cb 0.38 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.89 2kk2 h GLN 50 CO -0.37 0.37 0.51 0.00 -2.65 0.00 0.00 178.83 176.69 2kk2 h ALA 51 N 0.58 2.31 -0.41 3.38 0.00 -0.84 -0.49 119.26 123.79 2kk2 h ALA 51 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kk2 h ALA 51 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2kk2 h ALA 51 CO 0.00 -0.53 0.00 0.41 0.00 0.00 0.00 179.25 179.13 2kk2 n GLY 52 N -1.57 2.85 0.18 0.00 0.00 -0.71 -4.41 105.19 101.53 2kk2 n GLY 52 Ca 0.15 -0.53 -0.07 0.00 0.00 0.00 0.00 46.02 45.57 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 2.45 -0.91 -1.15 4.61 0.00 -0.13 -3.48 119.26 120.66 2kk2 h ALA 53 Ca 0.00 -0.07 0.27 0.00 0.00 0.00 0.00 54.91 55.11 2kk2 h ALA 53 Cb 0.88 0.40 -0.24 0.00 0.00 0.00 0.00 17.79 18.84 2kk2 h ALA 53 CO 0.03 -0.92 0.92 0.00 0.00 0.00 0.00 179.25 179.29 2kk2 s ALA 54 N -4.15 -2.13 0.00 0.00 0.00 -1.26 -5.01 121.76 109.20 2kk2 s ALA 54 Ca -0.06 1.84 0.00 0.00 0.00 0.00 0.00 51.96 53.74 2kk2 s ALA 54 Cb 0.01 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.25 2kk2 s ALA 54 CO 0.21 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.98 2kk2 n GLY 55 N 0.25 1.23 3.59 0.00 0.00 -1.26 -4.96 105.19 104.03 2kk2 n GLY 55 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 2.45 0.07 -2.50 1.61 7.64 -1.26 -4.97 113.62 116.66 2kk2 n SER 56 Ca 0.00 0.60 -0.16 0.00 1.01 0.00 0.00 58.87 60.32 2kk2 n SER 56 Cb 0.00 -1.38 0.02 0.00 -1.01 0.00 0.00 64.21 61.84 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 1.10 4.02 3.92 0.23 0.00 -1.26 -4.99 105.19 108.21 2kk2 n GLY 57 Ca 0.12 -2.01 -0.28 0.00 0.00 0.00 0.00 46.02 43.85 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 -3.12 4.83 -0.89 0.00 2.15 -0.85 -4.83 116.67 113.96 2kk2 s ASP 59 Ca 0.40 0.08 0.00 0.00 0.43 0.00 0.00 52.55 53.46 2kk2 s ASP 59 Cb -0.11 -2.54 0.30 0.00 -0.30 0.00 0.00 42.92 40.27 2kk2 s ASP 59 CO 0.29 -2.86 1.28 0.23 -0.17 0.00 0.00 175.17 173.94 2kk2 n MET 60 N 8.98 3.99 0.00 4.34 2.81 -1.26 0.06 117.12 136.04 2kk2 n MET 60 Ca 0.35 -4.65 0.00 0.00 -1.81 0.00 0.00 57.70 51.58 2kk2 n MET 60 Cb 0.49 -2.40 0.00 0.00 -0.71 0.00 0.00 33.22 30.60 2kk2 n MET 60 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87