#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 -1.46 0.28 2.98 4.13 -1.26 -4.85 115.26 115.07 2kk2 n ASN 2 Ca 0.00 0.54 0.18 0.00 1.68 0.00 0.00 54.58 56.98 2kk2 n ASN 2 Cb 0.00 -2.67 0.95 0.00 -1.54 0.00 0.00 39.78 36.52 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 1.61 0.00 0.00 3.52 0.13 -1.93 -2.22 132.00 133.11 2kk2 h PRO 3 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2kk2 h PRO 3 Cb 0.49 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 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 -3.45 0.05 -0.17 0.86 1.02 -1.26 -1.27 120.64 116.42 2kk2 n GLU 4 Ca -0.01 0.29 -0.08 0.00 -0.02 0.00 0.00 57.16 57.34 2kk2 n GLU 4 Cb 0.23 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.16 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 0.67 -0.65 1.62 3.32 -1.72 -3.09 116.42 116.57 2kk2 h ASP 5 Ca 0.00 -0.17 -0.18 0.00 0.02 0.00 0.00 57.03 56.70 2kk2 h ASP 5 Cb 0.09 -0.17 -0.11 0.00 0.22 0.00 0.00 39.33 39.35 2kk2 h ASP 5 CO 0.00 0.65 0.21 0.47 -1.72 0.00 0.00 179.24 178.85 2kk2 n ASP 6 N -4.57 4.56 -4.65 6.45 8.00 -0.40 -4.94 116.55 121.01 2kk2 n ASP 6 Ca 0.01 -3.24 -0.45 0.00 0.71 0.00 0.00 54.79 51.82 2kk2 n ASP 6 Cb 0.15 -0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 40.52 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 -0.26 1.96 -4.00 1.24 9.36 -1.03 -1.66 117.16 122.77 2kk2 n TYR 7 Ca 0.38 0.52 -0.34 0.00 3.32 0.00 0.00 57.90 61.78 2kk2 n TYR 7 Cb 1.30 -2.40 -0.15 0.00 -0.63 0.00 0.00 39.34 37.46 2kk2 n TYR 7 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2kk2 s THR 8 N -0.39 2.61 0.28 2.97 -4.23 -0.49 -4.93 115.64 111.47 2kk2 s THR 8 Ca 0.65 -1.26 -0.01 0.00 -1.18 0.00 0.00 61.69 59.89 2kk2 s THR 8 Cb -0.67 -2.39 0.14 0.00 1.34 0.00 0.00 72.50 70.92 2kk2 s THR 8 CO 0.54 0.11 1.81 1.55 -0.54 0.00 0.00 174.62 178.09 2kk2 h PRO 9 N 7.93 0.80 0.00 3.99 0.13 -1.89 -3.32 132.00 139.64 2kk2 h PRO 9 Ca -0.28 -0.18 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2kk2 h PRO 9 Cb 1.08 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 2kk2 h PRO 9 CO 0.54 0.75 -0.06 -0.07 -0.23 0.00 0.00 178.00 178.93 2kk2 h LEU 10 N 0.77 0.00 -2.90 1.56 4.07 -1.93 -0.99 115.31 115.88 2kk2 h LEU 10 Ca 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.12 2kk2 h LEU 10 Cb 0.34 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 2kk2 h LEU 10 CO 0.00 0.06 -0.14 0.35 -1.08 0.00 0.00 178.44 177.64 2kk2 n THR 11 N -4.02 1.70 -4.22 0.22 -2.24 -1.26 -5.03 114.28 99.44 2kk2 n THR 11 Ca -0.03 -2.15 -0.35 0.00 -2.27 0.00 0.00 64.05 59.26 2kk2 n THR 11 Cb 0.15 -0.14 -0.10 0.00 -2.10 0.00 0.00 70.33 68.14 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 2.89 0.38 -2.31 0.00 -0.04 -1.26 -4.85 135.00 129.81 2kk2 n PRO 13 Ca -0.18 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.25 2kk2 n PRO 13 Cb 0.53 -1.33 -0.01 0.00 -0.04 0.00 0.00 33.50 32.65 2kk2 n PRO 13 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2kk2 n HIS 14 N -0.83 0.11 -4.33 0.54 8.25 -1.26 -5.17 115.22 112.53 2kk2 n HIS 14 Ca 0.06 -0.30 -0.21 0.00 -0.26 0.00 0.00 57.72 57.01 2kk2 n HIS 14 Cb 0.03 -0.03 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 2kk2 n HIS 14 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2kk2 s THR 15 N -1.34 1.79 -0.10 1.59 -4.23 -1.26 -5.02 115.64 107.07 2kk2 s THR 15 Ca 0.01 -1.96 0.26 0.00 -1.18 0.00 0.00 61.69 58.82 2kk2 s THR 15 Cb 0.00 -1.86 0.26 0.00 1.34 0.00 0.00 72.50 72.24 2kk2 s THR 15 CO 0.00 -0.36 1.79 -0.29 -0.54 0.00 0.00 174.62 175.22 2kk2 h ILE 16 N 3.15 0.00 0.00 2.99 2.10 -1.99 -0.09 117.51 123.67 2kk2 h ILE 16 Ca -0.41 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.47 2kk2 h ILE 16 Cb 1.21 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 37.61 2kk2 h ILE 16 CO 0.53 0.00 0.00 -1.20 -1.08 0.00 0.00 178.15 176.40 2kk2 n SER 17 N -2.41 0.00 0.00 2.19 7.64 -1.26 -3.97 113.62 115.80 2kk2 n SER 17 Ca -0.01 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2kk2 n SER 17 Cb 0.08 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 2kk2 n SER 17 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2kk2 n VAL 18 N -1.36 0.00 -0.31 0.44 0.24 -0.85 -5.02 118.33 111.47 2kk2 n VAL 18 Ca 0.12 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.54 2kk2 n VAL 18 Cb 0.27 0.45 0.36 0.00 -1.47 0.00 0.00 33.84 33.45 2kk2 n VAL 18 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 2kk2 h VAL 19 N 0.00 0.77 0.76 3.34 3.04 -1.16 0.11 116.25 123.11 2kk2 h VAL 19 Ca 0.00 -0.25 -0.03 0.00 -1.01 0.00 0.00 66.70 65.41 2kk2 h VAL 19 Cb 0.00 -0.01 -0.00 0.00 -2.01 0.00 0.00 31.29 29.26 2kk2 h VAL 19 CO 0.00 0.13 -0.47 -0.25 -1.01 0.00 0.00 177.57 175.97 2kk2 h TRP 20 N 0.72 -1.24 -0.60 3.17 2.91 -1.87 0.17 115.95 119.22 2kk2 h TRP 20 Ca 0.51 -0.01 0.11 0.00 1.13 0.00 0.00 58.89 60.63 2kk2 h TRP 20 Cb 0.83 0.44 -0.09 0.00 -0.51 0.00 0.00 29.16 29.84 2kk2 h TRP 20 CO -0.00 -0.70 0.12 -0.92 -1.03 0.00 0.00 178.44 175.91 2kk2 h TYR 21 N -1.15 0.19 0.00 2.65 5.03 -1.56 -0.58 116.97 121.55 2kk2 h TYR 21 Ca -0.10 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.25 2kk2 h TYR 21 Cb 0.93 0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.21 2kk2 h TYR 21 CO -0.10 -0.04 -0.31 1.05 -1.32 0.00 0.00 178.16 177.44 2kk2 h GLU 22 N 0.25 0.00 0.00 1.82 4.11 -0.20 0.26 114.58 120.82 2kk2 h GLU 22 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.74 2kk2 h GLU 22 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2kk2 h GLU 22 CO -0.41 0.00 -0.76 0.00 0.07 0.00 0.00 179.01 177.92 2kk2 n THR 24 N -1.39 0.00 0.00 0.00 -2.24 -0.24 -2.77 114.28 107.64 2kk2 n THR 24 Ca 0.02 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2kk2 n THR 24 Cb 0.24 1.56 0.00 0.00 -2.10 0.00 0.00 70.33 70.03 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 -0.04 0.00 -1.86 -0.78 2.13 0.79 -4.19 120.64 116.69 2kk2 n GLU 25 Ca 0.00 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.58 2kk2 n GLU 25 Cb 0.14 -0.26 -0.05 0.00 0.27 0.00 0.00 31.44 31.53 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 -4.16 4.70 0.53 4.31 2.47 -0.45 -4.84 114.94 117.50 2kk2 s ASN 26 Ca 0.00 -0.19 0.26 0.00 0.42 0.00 0.00 52.86 53.35 2kk2 s ASN 26 Cb 0.00 -2.55 1.41 0.00 -1.45 0.00 0.00 41.25 38.66 2kk2 s ASN 26 CO 0.00 -3.08 1.98 0.71 -3.72 0.00 0.00 177.10 172.99 2kk2 h THR 27 N 7.39 0.70 0.00 -5.21 1.35 -1.90 0.24 112.91 115.48 2kk2 h THR 27 Ca -0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2kk2 h THR 27 Cb 1.04 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 2kk2 h THR 27 CO 1.14 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.41 2kk2 n ALA 28 N -2.65 1.29 -0.08 6.62 0.00 -1.26 -3.99 120.51 120.44 2kk2 n ALA 28 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2kk2 n ALA 28 Cb 0.67 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.45 0.00 -4.76 0.00 0.23 -0.46 -5.14 115.26 103.69 2kk2 n ASN 29 Ca 0.02 0.00 -0.39 0.00 -0.53 0.00 0.00 54.58 53.68 2kk2 n ASN 29 Cb 0.06 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 37.79 2kk2 n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kk2 n GLY 31 N 0.67 0.06 0.25 0.00 0.00 -1.12 -0.97 105.19 104.08 2kk2 n GLY 31 Ca 0.08 -1.40 0.01 0.00 0.00 0.00 0.00 46.02 44.72 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 4.12 0.79 -0.29 2.61 2.02 -1.24 -0.05 112.91 120.86 2kk2 h THR 32 Ca 0.00 -0.16 -0.13 0.00 0.77 0.00 0.00 66.41 66.89 2kk2 h THR 32 Cb 0.00 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 2kk2 h THR 32 CO 0.00 0.09 -0.35 0.00 0.37 0.00 0.00 175.52 175.63 2kk2 h ALA 33 N 1.43 0.84 0.38 6.16 0.00 -1.94 0.16 119.26 126.31 2kk2 h ALA 33 Ca 0.33 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2kk2 h ALA 33 Cb 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kk2 h ALA 33 CO -0.30 0.64 -0.18 0.00 0.00 0.00 0.00 179.25 179.40 2kk2 h ASP 36 N 0.00 0.00 0.00 0.00 3.58 -0.74 -3.00 116.42 116.26 2kk2 h ASP 36 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2kk2 h ASP 36 Cb 0.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2kk2 h ASP 36 CO -0.00 0.36 -0.92 -1.20 -2.88 0.00 0.00 179.24 174.60 2kk2 n SER 37 N -3.34 3.30 0.11 2.28 7.64 -1.01 -4.53 113.62 118.07 2kk2 n SER 37 Ca 0.01 -0.13 0.12 0.00 1.01 0.00 0.00 58.87 59.87 2kk2 n SER 37 Cb 0.58 1.12 0.10 0.00 -1.01 0.00 0.00 64.21 65.00 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 -3.26 0.05 0.29 0.00 0.08 -1.13 -1.39 117.98 112.62 2kk2 s PHE 39 Ca 0.03 -0.23 0.04 0.00 0.12 0.00 0.00 56.93 56.90 2kk2 s PHE 39 Cb 0.10 -0.03 -0.06 0.00 -0.57 0.00 0.00 43.02 42.46 2kk2 s PHE 39 CO 0.74 -0.39 0.04 -1.21 -0.10 0.00 0.00 175.22 174.29 2kk2 s GLU 40 N -2.23 1.54 3.81 0.44 2.02 -0.67 -4.40 118.70 119.22 2kk2 s GLU 40 Ca -0.08 -1.83 0.00 0.00 0.02 0.00 0.00 54.97 53.08 2kk2 s GLU 40 Cb -0.03 -0.78 0.00 0.00 0.10 0.00 0.00 34.13 33.43 2kk2 s GLU 40 CO -0.02 -0.15 0.00 1.28 0.02 0.00 0.00 175.26 176.39 2kk2 n LEU 41 N -0.59 0.00 0.28 1.80 4.77 -1.26 -0.89 117.00 121.11 2kk2 n LEU 41 Ca -0.03 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.09 2kk2 n LEU 41 Cb 0.66 0.00 0.83 0.00 -2.33 0.00 0.00 43.42 42.57 2kk2 n LEU 41 CO 0.40 0.00 1.05 0.74 -1.33 0.00 0.00 177.39 178.25 2kk2 h THR 42 N 0.00 0.53 -0.38 -5.08 2.02 -1.98 -1.45 112.91 106.57 2kk2 h THR 42 Ca 0.00 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 66.84 2kk2 h THR 42 Cb 0.00 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2kk2 h THR 42 CO 0.00 0.06 0.03 1.23 0.37 0.00 0.00 175.52 177.21 2kk2 h GLY 43 N 0.46 0.69 0.82 2.16 0.00 -1.32 -0.51 103.07 105.38 2kk2 h GLY 43 Ca -0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 2kk2 h GLY 43 CO 0.01 0.45 -0.21 -0.57 0.00 0.00 0.00 176.54 176.22 2kk2 h ASN 44 N 0.47 -0.55 -0.34 0.19 -0.73 0.02 -0.78 115.58 113.86 2kk2 h ASN 44 Ca 0.11 0.04 0.07 0.00 1.87 0.00 0.00 56.30 58.40 2kk2 h ASN 44 Cb 0.42 0.18 -0.07 0.00 0.27 0.00 0.00 38.32 39.12 2kk2 h ASN 44 CO 0.01 -0.32 -0.12 0.74 -0.37 0.00 0.00 177.43 177.37 2kk2 h THR 45 N -0.49 0.58 -0.76 -3.57 2.02 -1.30 -0.56 112.91 108.83 2kk2 h THR 45 Ca -0.02 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 2kk2 h THR 45 Cb 0.43 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 2kk2 h THR 45 CO -0.01 0.00 0.29 0.24 0.37 0.00 0.00 175.52 176.40 2kk2 h MET 46 N -0.05 1.15 0.08 6.66 2.86 -0.76 0.12 114.93 124.99 2kk2 h MET 46 Ca 0.17 -0.22 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2kk2 h MET 46 Cb 0.31 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 2kk2 h MET 46 CO -0.38 0.95 -0.18 0.00 1.06 0.00 0.00 176.91 178.36 2kk2 h LEU 48 N -0.34 -0.18 -0.86 0.00 3.38 -0.81 0.25 115.31 116.75 2kk2 h LEU 48 Ca 0.03 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.17 2kk2 h LEU 48 Cb 0.37 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 2kk2 h LEU 48 CO -0.11 -0.06 0.51 -0.07 0.09 0.00 0.00 178.44 178.80 2kk2 h LEU 49 N 0.05 0.75 -0.26 1.67 3.38 -0.42 -1.85 115.31 118.62 2kk2 h LEU 49 Ca 0.14 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 2kk2 h LEU 49 Cb 0.19 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2kk2 h LEU 49 CO -0.26 0.44 -0.20 -0.61 0.09 0.00 0.00 178.44 177.90 2kk2 h GLN 50 N 0.87 0.59 -0.62 1.13 5.75 -0.42 -2.60 115.11 119.81 2kk2 h GLN 50 Ca 0.41 -0.29 0.08 0.00 -0.15 0.00 0.00 58.65 58.69 2kk2 h GLN 50 Cb 0.34 -0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.83 2kk2 h GLN 50 CO -0.23 0.88 0.29 0.00 -2.65 0.00 0.00 178.83 177.11 2kk2 h ALA 51 N 0.70 0.82 -0.25 3.38 0.00 -0.44 -0.56 119.26 122.92 2kk2 h ALA 51 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2kk2 h ALA 51 Cb 0.74 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2kk2 h ALA 51 CO 0.05 -0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.62 2kk2 n GLY 52 N -1.28 0.19 3.58 0.00 0.00 -0.75 -3.81 105.19 103.12 2kk2 n GLY 52 Ca 0.08 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 2kk2 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk2 s ALA 53 N -1.66 2.62 -1.48 4.61 0.00 -0.22 -4.07 121.76 121.57 2kk2 s ALA 53 Ca 0.17 -0.26 -0.11 0.00 0.00 0.00 0.00 51.96 51.76 2kk2 s ALA 53 Cb 0.09 -4.12 0.06 0.00 0.00 0.00 0.00 23.12 19.14 2kk2 s ALA 53 CO 0.12 -3.11 0.93 0.00 0.00 0.00 0.00 175.76 173.70 2kk2 n ALA 54 N 10.91 -1.22 0.00 0.00 0.00 -1.26 -2.20 120.51 126.74 2kk2 n ALA 54 Ca 0.20 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2kk2 n ALA 54 Cb 0.49 -4.48 0.00 0.00 0.00 0.00 0.00 19.45 15.47 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 -1.69 0.67 7.00 0.00 0.00 -1.26 -5.11 105.19 104.79 2kk2 n GLY 55 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.00 1.61 2.88 -0.94 -4.89 113.62 112.28 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 2.23 4.00 0.46 0.00 -1.26 -4.65 105.19 105.97 2kk2 n GLY 57 Ca 0.00 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 -4.67 6.81 -0.35 0.00 2.15 -0.14 -4.92 116.67 115.55 2kk2 s ASP 59 Ca 0.64 -2.52 -0.05 0.00 0.43 0.00 0.00 52.55 51.04 2kk2 s ASP 59 Cb -0.06 -2.34 -0.16 0.00 -0.30 0.00 0.00 42.92 40.05 2kk2 s ASP 59 CO 0.42 -0.82 2.75 0.23 -0.17 0.00 0.00 175.17 177.58 2kk2 n MET 60 N 5.45 1.87 -0.64 4.34 2.81 -1.26 -0.71 117.12 128.98 2kk2 n MET 60 Ca 0.24 -1.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.09 2kk2 n MET 60 Cb 0.46 -2.08 0.00 0.00 -0.71 0.00 0.00 33.22 30.89 2kk2 n MET 60 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87