#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 7.03 0.51 2.98 2.47 -1.26 -4.98 114.94 121.68 2kk2 s ASN 2 Ca 0.00 1.25 0.28 0.00 0.42 0.00 0.00 52.86 54.81 2kk2 s ASN 2 Cb 0.00 -2.45 1.35 0.00 -1.45 0.00 0.00 41.25 38.70 2kk2 s ASN 2 CO 0.00 -0.26 2.01 1.55 -3.72 0.00 0.00 177.10 176.68 2kk2 h PRO 3 N 7.02 0.00 0.00 0.43 0.13 -1.96 -2.87 132.00 134.74 2kk2 h PRO 3 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 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 0.79 0.13 0.03 0.39 -0.23 0.00 0.00 178.00 179.11 2kk2 n GLU 4 N -3.45 0.00 0.05 0.86 -0.58 -1.26 -0.74 120.64 115.52 2kk2 n GLU 4 Ca -0.01 0.15 0.11 0.00 -0.42 0.00 0.00 57.16 57.00 2kk2 n GLU 4 Cb 0.29 -1.53 -0.06 0.00 -0.57 0.00 0.00 31.44 29.57 2kk2 n GLU 4 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2kk2 n ASP 5 N -1.10 0.51 -0.69 1.62 8.00 -1.08 -4.14 116.55 119.66 2kk2 n ASP 5 Ca 0.00 0.13 0.08 0.00 0.71 0.00 0.00 54.79 55.70 2kk2 n ASP 5 Cb 0.03 1.06 0.11 0.00 -0.02 0.00 0.00 41.12 42.30 2kk2 n ASP 5 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2kk2 n ASP 6 N -2.42 2.60 -4.60 -2.24 5.75 0.08 -4.98 116.55 110.74 2kk2 n ASP 6 Ca -0.01 -1.76 -0.58 0.00 -0.01 0.00 0.00 54.79 52.44 2kk2 n ASP 6 Cb 0.54 -0.11 -0.08 0.00 -1.03 0.00 0.00 41.12 40.44 2kk2 n ASP 6 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kk2 n TYR 7 N 0.86 1.81 -3.50 2.11 9.36 -0.76 -3.87 117.16 123.17 2kk2 n TYR 7 Ca 0.11 0.58 -0.42 0.00 3.32 0.00 0.00 57.90 61.49 2kk2 n TYR 7 Cb 0.42 -2.43 -0.06 0.00 -0.63 0.00 0.00 39.34 36.64 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 4.60 4.74 -0.70 2.97 -4.23 0.17 -4.94 115.64 118.25 2kk2 s THR 8 Ca 1.04 -2.61 0.13 0.00 -1.18 0.00 0.00 61.69 59.08 2kk2 s THR 8 Cb -1.14 -3.99 0.13 0.00 1.34 0.00 0.00 72.50 68.84 2kk2 s THR 8 CO 0.64 -0.95 1.42 -0.81 -0.54 0.00 0.00 174.62 174.38 2kk2 n PRO 9 N 3.86 0.07 -0.23 3.99 -0.04 -1.26 -3.02 135.00 138.38 2kk2 n PRO 9 Ca 0.09 0.46 -0.02 0.00 -0.04 0.00 0.00 63.50 63.99 2kk2 n PRO 9 Cb 0.43 -1.69 0.09 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.00 0.55 -0.17 1.53 3.38 -1.92 -3.16 115.31 115.52 2kk2 h LEU 10 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2kk2 h LEU 10 Cb 0.13 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2kk2 h LEU 10 CO 0.00 0.36 -0.07 0.35 0.09 0.00 0.00 178.44 179.17 2kk2 n THR 11 N -4.78 0.00 -2.23 0.22 -2.24 -1.24 -5.04 114.28 98.96 2kk2 n THR 11 Ca 0.08 -0.46 -0.43 0.00 -2.27 0.00 0.00 64.05 60.97 2kk2 n THR 11 Cb 0.16 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.37 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 7.19 0.67 -4.24 0.00 -0.04 -1.26 -4.76 135.00 132.56 2kk2 n PRO 13 Ca 0.16 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.43 2kk2 n PRO 13 Cb 0.45 -1.17 -0.16 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.73 0.56 0.54 3.76 -1.26 -5.14 115.29 112.97 2kk2 s HIS 14 Ca 0.00 -0.18 -0.16 0.00 -0.15 0.00 0.00 55.06 54.57 2kk2 s HIS 14 Cb 0.00 -0.57 -0.06 0.00 1.11 0.00 0.00 32.58 33.07 2kk2 s HIS 14 CO 0.00 -0.11 1.02 0.95 -0.85 0.00 0.00 174.74 175.75 2kk2 s THR 15 N 0.40 4.19 0.45 1.30 -4.23 -1.26 -4.81 115.64 111.68 2kk2 s THR 15 Ca -0.05 1.03 0.35 0.00 -1.18 0.00 0.00 61.69 61.84 2kk2 s THR 15 Cb -0.09 -3.56 0.38 0.00 1.34 0.00 0.00 72.50 70.56 2kk2 s THR 15 CO 0.00 -0.62 2.18 -0.29 -0.54 0.00 0.00 174.62 175.36 2kk2 h ILE 16 N 0.64 0.23 -0.26 2.99 2.10 -2.00 -0.25 117.51 120.97 2kk2 h ILE 16 Ca -0.47 -0.29 -0.05 0.00 1.08 0.00 0.00 64.86 65.13 2kk2 h ILE 16 Cb 1.20 1.23 -0.01 0.00 -1.09 0.00 0.00 36.82 38.14 2kk2 h ILE 16 CO 0.60 0.04 -0.06 0.28 -1.08 0.00 0.00 178.15 177.92 2kk2 h SER 17 N 0.00 0.38 -1.74 2.19 0.02 -2.04 -3.35 113.55 109.01 2kk2 h SER 17 Ca -0.00 -0.08 -0.50 0.00 -0.84 0.00 0.00 61.79 60.37 2kk2 h SER 17 Cb 0.22 -0.10 -0.35 0.00 0.14 0.00 0.00 62.40 62.32 2kk2 h SER 17 CO 0.01 0.50 -0.98 1.33 -1.14 0.00 0.00 176.83 176.54 2kk2 n VAL 18 N -4.27 -0.66 -0.03 2.27 0.24 -0.14 -4.92 118.33 110.81 2kk2 n VAL 18 Ca 0.01 -3.45 -0.07 0.00 -2.04 0.00 0.00 64.34 58.78 2kk2 n VAL 18 Cb 0.26 -1.32 -0.02 0.00 -1.47 0.00 0.00 33.84 31.29 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 1.73 0.44 0.31 3.34 3.14 -0.96 -4.26 118.33 122.07 2kk2 n VAL 19 Ca 0.21 -0.07 -0.16 0.00 -2.96 0.00 0.00 64.34 61.36 2kk2 n VAL 19 Cb 0.54 -1.61 -0.08 0.00 -1.06 0.00 0.00 33.84 31.63 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 -0.25 -1.12 -0.71 1.45 2.91 -1.89 -0.46 115.95 115.88 2kk2 h TRP 20 Ca -0.16 -0.00 0.16 0.00 1.13 0.00 0.00 58.89 60.01 2kk2 h TRP 20 Cb 1.10 0.42 -0.12 0.00 -0.51 0.00 0.00 29.16 30.04 2kk2 h TRP 20 CO -0.03 -0.59 0.02 -0.92 -1.03 0.00 0.00 178.44 175.90 2kk2 h TYR 21 N -0.93 -0.01 -0.24 2.65 3.20 -1.95 -1.71 116.97 117.98 2kk2 h TYR 21 Ca -0.07 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.76 2kk2 h TYR 21 Cb 0.77 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 2kk2 h TYR 21 CO -0.13 -0.20 -0.22 1.05 -1.64 0.00 0.00 178.16 177.02 2kk2 h GLU 22 N 0.12 0.43 -0.01 1.82 -0.00 -1.53 0.10 114.58 115.51 2kk2 h GLU 22 Ca 0.39 -0.15 0.00 0.00 -0.00 0.00 0.00 59.36 59.60 2kk2 h GLU 22 Cb 0.66 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.38 2kk2 h GLU 22 CO -0.61 0.63 -0.49 0.00 -0.00 0.00 0.00 179.01 178.54 2kk2 n THR 24 N -0.63 0.00 0.00 0.00 -2.24 -0.71 -3.44 114.28 107.27 2kk2 n THR 24 Ca 0.09 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2kk2 n THR 24 Cb 0.39 1.55 0.00 0.00 -2.10 0.00 0.00 70.33 70.17 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 -0.05 0.00 -2.35 -0.78 4.07 0.32 -4.50 120.64 117.34 2kk2 n GLU 25 Ca 0.00 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.71 2kk2 n GLU 25 Cb 0.14 -0.28 -0.03 0.00 -0.06 0.00 0.00 31.44 31.20 2kk2 n GLU 25 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 2kk2 s ASN 26 N -1.74 5.83 0.40 4.31 2.47 -1.04 -4.87 114.94 120.32 2kk2 s ASN 26 Ca 0.00 -0.27 0.23 0.00 0.42 0.00 0.00 52.86 53.24 2kk2 s ASN 26 Cb 0.00 -2.55 1.26 0.00 -1.45 0.00 0.00 41.25 38.51 2kk2 s ASN 26 CO 0.00 -2.04 1.67 0.71 -3.72 0.00 0.00 177.10 173.72 2kk2 h THR 27 N 6.44 0.27 0.00 -5.21 1.35 -1.86 0.83 112.91 114.74 2kk2 h THR 27 Ca -0.22 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2kk2 h THR 27 Cb 1.08 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 2kk2 h THR 27 CO 1.27 0.04 0.00 0.00 -0.25 0.00 0.00 175.52 176.58 2kk2 n ALA 28 N -2.45 1.39 0.00 6.62 0.00 -1.26 -4.07 120.51 120.74 2kk2 n ALA 28 Ca 0.33 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2kk2 n ALA 28 Cb 1.17 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 -2.13 0.12 -4.76 0.00 3.02 -0.25 -5.12 115.26 106.14 2kk2 n ASN 29 Ca 0.01 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.19 2kk2 n ASN 29 Cb 0.14 0.01 0.01 0.00 -0.61 0.00 0.00 39.78 39.33 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 0.53 0.03 0.13 0.00 0.00 -1.22 -3.01 105.19 101.65 2kk2 n GLY 31 Ca 0.10 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.47 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 4.74 0.74 0.00 2.61 2.02 -1.39 -1.82 112.91 119.82 2kk2 h THR 32 Ca 0.00 -0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2kk2 h THR 32 Cb 0.00 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 2kk2 h THR 32 CO 0.00 0.00 -0.19 0.00 0.37 0.00 0.00 175.52 175.70 2kk2 h ALA 33 N 1.27 1.42 0.20 6.16 0.00 -1.94 -0.63 119.26 125.74 2kk2 h ALA 33 Ca 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2kk2 h ALA 33 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2kk2 h ALA 33 CO -0.27 0.24 -0.10 0.00 0.00 0.00 0.00 179.25 179.12 2kk2 n ASP 36 N -4.96 0.04 0.00 0.00 -0.08 -0.29 -0.52 116.55 110.74 2kk2 n ASP 36 Ca -0.00 -0.96 0.00 0.00 -1.51 0.00 0.00 54.79 52.32 2kk2 n ASP 36 Cb 0.09 -0.02 0.00 0.00 2.34 0.00 0.00 41.12 43.52 2kk2 n ASP 36 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2kk2 n SER 37 N -0.43 0.41 0.00 1.67 7.64 -0.78 -4.90 113.62 117.24 2kk2 n SER 37 Ca 0.00 -1.14 0.00 0.00 1.01 0.00 0.00 58.87 58.74 2kk2 n SER 37 Cb 0.01 0.00 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 -0.24 0.06 0.14 0.00 0.08 0.32 -0.66 117.98 117.68 2kk2 s PHE 39 Ca 0.00 -0.14 0.01 0.00 0.12 0.00 0.00 56.93 56.92 2kk2 s PHE 39 Cb 0.00 -0.06 -0.04 0.00 -0.57 0.00 0.00 43.02 42.34 2kk2 s PHE 39 CO 0.00 -0.23 -0.01 -1.21 -0.10 0.00 0.00 175.22 173.68 2kk2 s GLU 40 N -1.14 0.97 4.61 0.44 2.02 -1.25 -4.20 118.70 120.15 2kk2 s GLU 40 Ca -0.12 -1.44 0.00 0.00 0.02 0.00 0.00 54.97 53.42 2kk2 s GLU 40 Cb -0.07 -0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.03 2kk2 s GLU 40 CO 0.01 -0.12 0.00 1.28 0.02 0.00 0.00 175.26 176.44 2kk2 n LEU 41 N -0.14 0.00 0.29 1.80 4.77 -1.26 -1.04 117.00 121.42 2kk2 n LEU 41 Ca -0.08 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.05 2kk2 n LEU 41 Cb 0.62 0.00 0.91 0.00 -2.33 0.00 0.00 43.42 42.62 2kk2 n LEU 41 CO 0.32 0.00 1.13 0.74 -1.33 0.00 0.00 177.39 178.24 2kk2 h THR 42 N 0.00 0.54 -0.48 -5.08 2.02 -1.99 -1.08 112.91 106.83 2kk2 h THR 42 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 2kk2 h THR 42 Cb 0.00 0.99 -0.10 0.00 -1.74 0.00 0.00 68.15 67.30 2kk2 h THR 42 CO 0.00 0.00 -0.33 1.23 0.37 0.00 0.00 175.52 176.79 2kk2 h GLY 43 N 0.00 -0.20 0.64 2.16 0.00 -1.45 -0.00 103.07 104.21 2kk2 h GLY 43 Ca 0.00 0.43 0.04 0.00 0.00 0.00 0.00 47.33 47.80 2kk2 h GLY 43 CO -0.00 -0.20 -0.03 -0.57 0.00 0.00 0.00 176.54 175.74 2kk2 h ASN 44 N -0.22 -0.13 -0.41 0.19 -0.73 -0.89 -0.41 115.58 112.98 2kk2 h ASN 44 Ca 0.20 0.05 0.08 0.00 1.87 0.00 0.00 56.30 58.50 2kk2 h ASN 44 Cb 0.54 0.10 -0.07 0.00 0.27 0.00 0.00 38.32 39.16 2kk2 h ASN 44 CO -0.60 -0.04 -0.05 0.74 -0.37 0.00 0.00 177.43 177.11 2kk2 h THR 45 N 0.03 0.63 -0.02 -3.57 2.02 -1.26 -1.04 112.91 109.71 2kk2 h THR 45 Ca 0.10 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 2kk2 h THR 45 Cb 0.14 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2kk2 h THR 45 CO -0.19 0.01 0.01 0.24 0.37 0.00 0.00 175.52 175.96 2kk2 h MET 46 N 0.05 0.03 -0.02 6.66 2.86 0.04 -0.02 114.93 124.52 2kk2 h MET 46 Ca 0.20 -0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.86 2kk2 h MET 46 Cb 0.30 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 2kk2 h MET 46 CO -0.39 0.07 -0.12 0.00 1.06 0.00 0.00 176.91 177.53 2kk2 h LEU 48 N -0.19 0.86 -1.05 0.00 3.38 -1.05 -1.30 115.31 115.95 2kk2 h LEU 48 Ca 0.05 0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.20 2kk2 h LEU 48 Cb 0.26 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 40.74 2kk2 h LEU 48 CO -0.13 0.56 0.62 0.25 0.09 0.00 0.00 178.44 179.83 2kk2 h LEU 49 N 1.00 0.79 0.05 1.67 5.85 -0.57 -0.34 115.31 123.77 2kk2 h LEU 49 Ca 0.36 0.08 -0.16 0.00 0.84 0.00 0.00 57.88 59.00 2kk2 h LEU 49 Cb 0.12 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2kk2 h LEU 49 CO -0.15 0.32 -0.83 -0.61 -0.34 0.00 0.00 178.44 176.83 2kk2 h GLN 50 N 0.79 0.11 -0.54 1.25 5.75 -1.18 -2.72 115.11 118.57 2kk2 h GLN 50 Ca 0.55 -0.18 0.11 0.00 -0.15 0.00 0.00 58.65 58.98 2kk2 h GLN 50 Cb 0.82 0.07 -0.09 0.00 1.07 0.00 0.00 27.48 29.35 2kk2 h GLN 50 CO -0.34 1.09 0.02 0.00 -2.65 0.00 0.00 178.83 176.95 2kk2 h ALA 51 N -0.13 0.54 -0.21 3.38 0.00 -0.99 -1.37 119.26 120.49 2kk2 h ALA 51 Ca -0.20 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2kk2 h ALA 51 Cb 1.37 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2kk2 h ALA 51 CO -0.02 -0.37 0.00 0.41 0.00 0.00 0.00 179.25 179.27 2kk2 n GLY 52 N -1.33 0.46 0.33 0.00 0.00 -0.16 -3.14 105.19 101.35 2kk2 n GLY 52 Ca 0.07 -0.44 -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 4.04 -0.14 -0.66 4.61 0.00 -0.90 -2.26 119.26 123.94 2kk2 h ALA 53 Ca 0.00 0.11 -0.35 0.00 0.00 0.00 0.00 54.91 54.67 2kk2 h ALA 53 Cb 0.53 0.69 -0.41 0.00 0.00 0.00 0.00 17.79 18.60 2kk2 h ALA 53 CO 0.00 -0.71 -1.04 0.00 0.00 0.00 0.00 179.25 177.50 2kk2 n ALA 54 N -3.01 3.42 0.00 0.00 0.00 -1.26 -4.98 120.51 114.68 2kk2 n ALA 54 Ca 0.01 -3.14 0.00 0.00 0.00 0.00 0.00 53.44 50.31 2kk2 n ALA 54 Cb 0.34 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.54 2.41 2.53 0.00 0.00 -0.85 -4.64 105.19 104.10 2kk2 n GLY 55 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.05 -2.04 0.00 1.61 2.88 -1.19 -0.61 113.62 114.33 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 -1.65 0.00 0.00 -0.75 0.00 0.00 64.21 61.81 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 0.27 0.62 0.00 0.46 0.00 -1.26 -4.76 105.19 100.53 2kk2 n GLY 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.00 0.74 0.16 0.00 1.01 -1.16 -4.95 116.67 111.46 2kk2 s ASP 59 Ca 0.00 -0.05 -0.03 0.00 0.71 0.00 0.00 52.55 53.18 2kk2 s ASP 59 Cb 0.00 -0.30 -0.03 0.00 1.01 0.00 0.00 42.92 43.60 2kk2 s ASP 59 CO 0.00 -0.11 0.13 0.00 0.21 0.00 0.00 175.17 175.40 2kk2 s MET 60 N 1.18 1.07 0.00 8.23 0.23 -1.26 -0.90 119.30 127.85 2kk2 s MET 60 Ca -0.07 -1.45 0.13 0.00 -1.03 0.00 0.00 55.69 53.26 2kk2 s MET 60 Cb -0.13 0.28 0.10 0.00 -1.53 0.00 0.00 34.83 33.55 2kk2 s MET 60 CO -0.02 -0.34 0.92 -0.85 -2.03 0.00 0.00 175.02 172.70