#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ko4 s ARG 2 N 0.00 1.78 -0.04 2.12 0.52 -0.33 -1.10 118.95 121.90 3ko4 s ARG 2 Ca 0.00 -0.59 0.02 0.00 -0.52 0.00 0.00 55.73 54.64 3ko4 s ARG 2 Cb 0.00 -1.53 0.02 0.00 0.52 0.00 0.00 34.95 33.96 3ko4 s ARG 2 CO 0.00 0.22 -0.06 0.54 0.02 0.00 0.00 175.30 176.02 3ko4 s VAL 3 N 0.10 0.65 -0.29 3.52 0.11 -0.51 0.24 120.40 124.22 3ko4 s VAL 3 Ca -0.05 -0.22 -0.07 0.00 -2.93 0.00 0.00 61.98 58.72 3ko4 s VAL 3 Cb -0.12 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 34.11 3ko4 s VAL 3 CO 0.02 0.24 0.08 -0.69 -3.33 0.00 0.00 175.10 171.42 3ko4 s VAL 4 N 0.68 3.97 -0.17 2.04 1.01 -0.95 -1.61 120.40 125.37 3ko4 s VAL 4 Ca -0.10 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 3ko4 s VAL 4 Cb -0.13 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 3ko4 s VAL 4 CO 0.01 0.11 0.21 -0.63 0.00 0.00 0.00 175.10 174.79 3ko4 s ILE 5 N 1.51 5.37 -0.07 2.22 1.01 0.27 -1.31 121.20 130.19 3ko4 s ILE 5 Ca 0.03 0.36 0.02 0.00 0.00 0.00 0.00 60.65 61.06 3ko4 s ILE 5 Cb -0.17 -3.54 0.01 0.00 0.01 0.00 0.00 42.46 38.78 3ko4 s ILE 5 CO 0.02 0.44 -0.13 -1.10 0.00 0.00 0.00 174.94 174.17 3ko4 s GLN 6 N 0.21 1.86 -0.20 2.79 -0.21 0.02 -0.10 119.66 124.03 3ko4 s GLN 6 Ca 0.13 -0.46 -0.29 0.00 0.02 0.00 0.00 55.36 54.75 3ko4 s GLN 6 Cb -0.12 -1.53 -0.00 0.00 1.00 0.00 0.00 33.01 32.36 3ko4 s GLN 6 CO 0.01 0.02 1.15 0.50 -2.12 0.00 0.00 175.29 174.86 3ko4 s ARG 7 N 0.70 4.24 0.25 2.91 3.52 0.45 -0.73 118.95 130.29 3ko4 s ARG 7 Ca -0.14 1.50 0.12 0.00 -0.13 0.00 0.00 55.73 57.08 3ko4 s ARG 7 Cb -0.16 -3.70 -0.05 0.00 -1.56 0.00 0.00 34.95 29.48 3ko4 s ARG 7 CO 0.03 -0.68 -0.21 0.14 -0.81 0.00 0.00 175.30 173.78 3ko4 s VAL 8 N 3.36 2.41 -0.13 7.11 -7.23 -0.03 -0.09 120.40 125.81 3ko4 s VAL 8 Ca 0.49 -2.29 0.18 0.00 -1.81 0.00 0.00 61.98 58.55 3ko4 s VAL 8 Cb -0.18 -2.24 -0.16 0.00 0.56 0.00 0.00 36.38 34.37 3ko4 s VAL 8 CO 0.10 -0.33 0.73 0.29 -0.31 0.00 0.00 175.10 175.58 3ko4 n LYS 9 N -0.35 0.63 -3.63 4.82 4.76 0.55 -1.69 118.16 123.24 3ko4 n LYS 9 Ca -0.07 0.15 -0.00 0.00 -2.87 0.00 0.00 58.31 55.51 3ko4 n LYS 9 Cb 0.59 -1.75 -0.01 0.00 -1.84 0.00 0.00 35.03 32.02 3ko4 n LYS 9 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3ko4 s GLY 10 N -4.81 -0.37 -0.30 0.72 0.00 -1.08 -1.35 107.32 100.14 3ko4 s GLY 10 Ca -0.04 0.76 -0.04 0.00 0.00 0.00 0.00 44.72 45.40 3ko4 s GLY 10 CO 0.82 0.17 0.68 0.00 0.00 0.00 0.00 173.10 174.77 3ko4 s ALA 11 N -2.58 -2.42 -0.12 3.20 0.00 -0.33 -1.75 121.76 117.76 3ko4 s ALA 11 Ca 0.13 1.85 -0.19 0.00 0.00 0.00 0.00 51.96 53.75 3ko4 s ALA 11 Cb 0.03 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 3ko4 s ALA 11 CO -0.03 -1.30 0.51 0.42 0.00 0.00 0.00 175.76 175.36 3ko4 s ILE 12 N 2.87 5.16 -0.21 0.00 1.09 -0.38 -2.11 121.20 127.61 3ko4 s ILE 12 Ca 0.14 1.02 0.00 0.00 -1.10 0.00 0.00 60.65 60.71 3ko4 s ILE 12 Cb -0.14 -3.85 0.02 0.00 -1.06 0.00 0.00 42.46 37.44 3ko4 s ILE 12 CO -0.19 0.29 -0.14 -0.22 -0.10 0.00 0.00 174.94 174.59 3ko4 s LEU 13 N 0.79 2.65 0.04 2.97 0.20 0.81 -1.47 118.68 124.68 3ko4 s LEU 13 Ca 0.27 -0.78 0.06 0.00 0.69 0.00 0.00 54.13 54.37 3ko4 s LEU 13 Cb -0.15 -1.56 -0.03 0.00 -0.43 0.00 0.00 46.19 44.01 3ko4 s LEU 13 CO 0.11 -0.06 -0.12 -0.44 -0.29 0.00 0.00 176.35 175.56 3ko4 s SER 14 N 1.29 4.27 0.35 3.68 0.01 0.32 -0.90 113.70 122.73 3ko4 s SER 14 Ca 0.02 -0.31 0.06 0.00 1.31 0.00 0.00 55.95 57.03 3ko4 s SER 14 Cb -0.15 -0.85 -0.07 0.00 0.21 0.00 0.00 66.02 65.16 3ko4 s SER 14 CO -0.09 0.25 0.02 0.68 0.41 0.00 0.00 173.24 174.51 3ko4 s VAL 15 N -1.03 1.59 0.08 3.43 -7.23 -1.21 0.04 120.40 116.07 3ko4 s VAL 15 Ca 0.17 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 3ko4 s VAL 15 Cb -0.11 -2.84 0.01 0.00 0.56 0.00 0.00 36.38 34.01 3ko4 s VAL 15 CO 0.08 -0.04 0.11 0.54 -0.31 0.00 0.00 175.10 175.48 3ko4 n ARG 16 N -0.79 0.75 -0.08 4.82 1.74 -1.26 -1.75 116.66 120.09 3ko4 n ARG 16 Ca -0.04 -0.35 0.00 0.00 -0.77 0.00 0.00 57.85 56.69 3ko4 n ARG 16 Cb 0.66 -0.05 0.00 0.00 -1.02 0.00 0.00 32.46 32.05 3ko4 n ARG 16 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3ko4 n LYS 25 N -1.19 0.00 -3.30 5.56 0.00 -1.26 -4.72 118.16 113.26 3ko4 n LYS 25 Ca 0.02 0.08 -0.22 0.00 -0.00 0.00 0.00 58.31 58.19 3ko4 n LYS 25 Cb 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 35.03 35.10 3ko4 n LYS 25 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3ko4 s GLU 26 N -3.68 3.20 0.53 -1.58 2.56 -1.26 -5.09 118.70 113.37 3ko4 s GLU 26 Ca 0.00 -0.64 -0.18 0.00 0.00 0.00 0.00 54.97 54.15 3ko4 s GLU 26 Cb 0.00 -2.69 -0.07 0.00 2.00 0.00 0.00 34.13 33.37 3ko4 s GLU 26 CO 0.00 -0.02 1.03 -0.51 -0.56 0.00 0.00 175.26 175.20 3ko4 s LEU 27 N -4.34 3.69 -0.26 2.70 1.43 -1.26 -5.03 118.68 115.60 3ko4 s LEU 27 Ca 0.44 1.82 -0.08 0.00 -1.03 0.00 0.00 54.13 55.29 3ko4 s LEU 27 Cb -0.10 -4.54 0.12 0.00 0.03 0.00 0.00 46.19 41.70 3ko4 s LEU 27 CO 0.35 -0.88 0.55 -1.83 0.23 0.00 0.00 176.35 174.76 3ko4 s GLU 28 N -3.67 0.47 0.13 1.70 -1.05 -0.72 -5.01 118.70 110.56 3ko4 s GLU 28 Ca 0.64 1.23 -0.35 0.00 -0.15 0.00 0.00 54.97 56.34 3ko4 s GLU 28 Cb -0.15 0.59 -0.16 0.00 -0.44 0.00 0.00 34.13 33.98 3ko4 s GLU 28 CO 0.28 -0.27 1.35 -0.89 0.95 0.00 0.00 175.26 176.67 3ko4 n ILE 29 N 5.42 0.29 0.00 1.83 5.41 -1.26 -3.34 119.36 127.71 3ko4 n ILE 29 Ca -0.09 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.58 3ko4 n ILE 29 Cb 0.49 -1.01 0.00 0.00 -0.71 0.00 0.00 39.64 38.41 3ko4 n ILE 29 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3ko4 n ILE 30 N 2.39 0.00 -4.06 1.39 -6.64 -0.08 -4.93 119.36 107.43 3ko4 n ILE 30 Ca 0.17 -0.03 -0.10 0.00 -1.77 0.00 0.00 62.75 61.02 3ko4 n ILE 30 Cb 0.23 0.40 -0.11 0.00 -1.44 0.00 0.00 39.64 38.73 3ko4 n ILE 30 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 3ko4 s SER 31 N -1.31 0.58 -0.12 7.28 0.01 -0.84 -5.01 113.70 114.29 3ko4 s SER 31 Ca 0.00 -0.73 -0.18 0.00 1.31 0.00 0.00 55.95 56.36 3ko4 s SER 31 Cb 0.00 0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.39 3ko4 s SER 31 CO 0.00 -0.39 0.46 -0.70 0.41 0.00 0.00 173.24 173.02 3ko4 s GLU 32 N -2.53 0.64 0.03 12.44 2.12 -1.26 -0.13 118.70 130.02 3ko4 s GLU 32 Ca -0.04 0.40 0.02 0.00 0.36 0.00 0.00 54.97 55.71 3ko4 s GLU 32 Cb -0.03 0.30 -0.02 0.00 0.26 0.00 0.00 34.13 34.65 3ko4 s GLU 32 CO -0.04 -0.13 -0.07 0.96 -0.54 0.00 0.00 175.26 175.44 3ko4 s ILE 33 N -0.31 0.51 0.00 -3.70 -4.36 -0.90 -4.98 121.20 107.46 3ko4 s ILE 33 Ca -0.05 -0.89 0.00 0.00 -0.26 0.00 0.00 60.65 59.46 3ko4 s ILE 33 Cb -0.03 -0.55 0.00 0.00 1.25 0.00 0.00 42.46 43.13 3ko4 s ILE 33 CO 0.03 -0.27 0.00 0.29 0.24 0.00 0.00 174.94 175.23 3ko4 n LYS 34 N 1.80 0.00 -1.72 0.37 4.76 -1.26 -1.18 118.16 120.92 3ko4 n LYS 34 Ca -0.21 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 54.86 3ko4 n LYS 34 Cb 0.55 0.00 0.06 0.00 -1.84 0.00 0.00 35.03 33.80 3ko4 n LYS 34 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3ko4 n ASN 35 N 0.00 2.18 0.00 4.39 3.02 -0.45 -2.63 115.26 121.76 3ko4 n ASN 35 Ca 0.00 0.89 0.00 0.00 -0.03 0.00 0.00 54.58 55.44 3ko4 n ASN 35 Cb 0.00 -1.55 0.00 0.00 -0.61 0.00 0.00 39.78 37.62 3ko4 n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ko4 n GLY 36 N 0.90 0.02 2.88 7.41 0.00 -0.68 -1.74 105.19 113.97 3ko4 n GLY 36 Ca 0.13 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 3ko4 n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ko4 s LEU 37 N 0.00 1.87 -0.16 0.99 1.43 -0.45 -0.85 118.68 121.51 3ko4 s LEU 37 Ca 0.00 -0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.01 3ko4 s LEU 37 Cb 0.00 -0.09 -0.04 0.00 0.03 0.00 0.00 46.19 46.09 3ko4 s LEU 37 CO 0.00 -0.00 0.07 -0.51 0.23 0.00 0.00 176.35 176.13 3ko4 s ILE 38 N 0.13 4.84 -0.24 -0.59 2.07 0.09 -0.57 121.20 126.93 3ko4 s ILE 38 Ca -0.01 -0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.22 3ko4 s ILE 38 Cb -0.03 -3.15 0.06 0.00 0.13 0.00 0.00 42.46 39.48 3ko4 s ILE 38 CO -0.00 0.51 -0.06 0.00 -1.91 0.00 0.00 174.94 173.48 3ko4 s PHE 40 N 1.34 3.11 -0.24 0.00 0.08 -0.43 0.13 117.98 121.97 3ko4 s PHE 40 Ca -0.06 0.06 -0.08 0.00 0.12 0.00 0.00 56.93 56.98 3ko4 s PHE 40 Cb -0.19 -3.19 -0.03 0.00 -0.57 0.00 0.00 43.02 39.04 3ko4 s PHE 40 CO -0.06 -0.74 0.08 -1.17 -0.10 0.00 0.00 175.22 173.23 3ko4 s LEU 41 N 2.67 3.57 -0.22 -0.37 0.20 0.23 -2.24 118.68 122.52 3ko4 s LEU 41 Ca 0.22 -0.13 -0.08 0.00 0.69 0.00 0.00 54.13 54.82 3ko4 s LEU 41 Cb -0.15 -1.95 -0.04 0.00 -0.43 0.00 0.00 46.19 43.62 3ko4 s LEU 41 CO 0.17 -0.00 0.10 -0.83 -0.29 0.00 0.00 176.35 175.50 3ko4 s GLY 42 N 1.42 1.90 -0.32 7.98 0.00 0.14 0.26 107.32 118.69 3ko4 s GLY 42 Ca 0.06 -0.89 -0.07 0.00 0.00 0.00 0.00 44.72 43.81 3ko4 s GLY 42 CO 0.04 0.30 0.10 -0.42 0.00 0.00 0.00 173.10 173.11 3ko4 s ILE 43 N 0.93 3.88 0.65 0.90 1.01 -1.26 -1.18 121.20 126.12 3ko4 s ILE 43 Ca 0.05 -0.93 -0.17 0.00 0.00 0.00 0.00 60.65 59.60 3ko4 s ILE 43 Cb -0.14 -3.11 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 3ko4 s ILE 43 CO 0.03 -0.06 1.18 -2.28 0.00 0.00 0.00 174.94 173.80 3ko4 s HIS 44 N 1.45 2.36 0.30 3.97 2.46 -1.26 -1.54 115.29 123.03 3ko4 s HIS 44 Ca 0.00 1.55 0.00 0.00 0.47 0.00 0.00 55.06 57.09 3ko4 s HIS 44 Cb -0.18 -3.39 0.52 0.00 -0.13 0.00 0.00 32.58 29.39 3ko4 s HIS 44 CO 0.03 -2.16 1.93 1.57 -2.47 0.00 0.00 174.74 173.63 3ko4 h LYS 45 N 0.33 1.01 -0.80 2.88 2.10 -0.93 -2.86 116.57 118.31 3ko4 h LYS 45 Ca -0.49 -0.06 -0.14 0.00 -2.00 0.00 0.00 60.65 57.96 3ko4 h LYS 45 Cb 1.28 -0.23 -0.09 0.00 -0.90 0.00 0.00 32.23 32.30 3ko4 h LYS 45 CO 0.53 0.67 0.18 0.09 -2.00 0.00 0.00 179.45 178.92 3ko4 n ASN 46 N -4.46 4.23 -4.74 7.07 3.02 -1.26 -4.90 115.26 114.22 3ko4 n ASN 46 Ca 0.12 -2.90 -0.41 0.00 -0.03 0.00 0.00 54.58 51.36 3ko4 n ASN 46 Cb 0.15 -0.68 -0.03 0.00 -0.61 0.00 0.00 39.78 38.60 3ko4 n ASN 46 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3ko4 s ASP 47 N -0.64 7.03 0.36 6.41 1.01 -1.08 -5.01 116.67 124.75 3ko4 s ASP 47 Ca 0.42 2.27 0.07 0.00 0.71 0.00 0.00 52.55 56.02 3ko4 s ASP 47 Cb 0.33 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.64 3ko4 s ASP 47 CO 0.11 -0.42 0.39 0.42 0.21 0.00 0.00 175.17 175.88 3ko4 s THR 48 N 0.06 3.49 0.18 -1.27 -4.23 -1.26 -5.00 115.64 107.62 3ko4 s THR 48 Ca 0.54 -1.22 -0.13 0.00 -1.18 0.00 0.00 61.69 59.71 3ko4 s THR 48 Cb -0.33 -3.20 0.09 0.00 1.34 0.00 0.00 72.50 70.39 3ko4 s THR 48 CO 0.37 -0.12 1.80 -0.25 -0.54 0.00 0.00 174.62 175.87 3ko4 h TRP 49 N 1.04 0.55 -1.23 3.99 2.91 -2.00 -1.51 115.95 119.70 3ko4 h TRP 49 Ca -0.44 0.02 0.35 0.00 1.13 0.00 0.00 58.89 59.95 3ko4 h TRP 49 Cb 1.26 -0.17 -0.08 0.00 -0.51 0.00 0.00 29.16 29.66 3ko4 h TRP 49 CO 0.48 0.28 0.84 0.93 -1.03 0.00 0.00 178.44 179.95 3ko4 h GLU 50 N 0.58 0.14 -0.00 2.65 4.39 -1.99 -0.56 114.58 119.78 3ko4 h GLU 50 Ca 0.23 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 3ko4 h GLU 50 Cb 0.10 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3ko4 h GLU 50 CO -0.14 0.09 -0.01 -0.44 -1.16 0.00 0.00 179.01 177.35 3ko4 h ASP 51 N 0.14 0.02 -0.64 1.42 3.32 -1.67 -2.77 116.42 116.24 3ko4 h ASP 51 Ca 0.65 -0.66 0.13 0.00 0.02 0.00 0.00 57.03 57.17 3ko4 h ASP 51 Cb 2.19 -0.00 -0.10 0.00 0.22 0.00 0.00 39.33 41.64 3ko4 h ASP 51 CO -0.17 0.67 0.06 0.00 -1.72 0.00 0.00 179.24 178.08 3ko4 h ALA 52 N 0.35 0.70 0.00 3.45 0.00 -0.89 -2.66 119.26 120.20 3ko4 h ALA 52 Ca -0.00 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3ko4 h ALA 52 Cb 0.67 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3ko4 h ALA 52 CO 0.00 -0.37 -0.43 1.25 0.00 0.00 0.00 179.25 179.70 3ko4 h LEU 53 N 0.17 0.00 -0.14 0.00 5.85 -1.19 -1.72 115.31 118.29 3ko4 h LEU 53 Ca 0.34 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.99 3ko4 h LEU 53 Cb 0.55 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 3ko4 h LEU 53 CO -0.50 0.43 -0.18 0.22 -0.34 0.00 0.00 178.44 178.07 3ko4 h TYR 54 N 0.00 0.45 -0.28 1.25 3.20 -1.25 -1.76 116.97 118.58 3ko4 h TYR 54 Ca -0.00 -0.15 0.05 0.00 3.14 0.00 0.00 58.73 61.77 3ko4 h TYR 54 Cb 0.95 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 39.07 3ko4 h TYR 54 CO 0.00 0.79 -0.06 0.82 -1.64 0.00 0.00 178.16 178.07 3ko4 h ILE 55 N -0.03 0.73 -0.13 1.81 1.08 -1.25 -0.32 117.51 119.40 3ko4 h ILE 55 Ca 0.02 -0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.51 3ko4 h ILE 55 Cb 0.74 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 35.19 3ko4 h ILE 55 CO 0.04 0.00 -0.04 0.40 -0.69 0.00 0.00 178.15 177.87 3ko4 h ILE 56 N 0.01 0.86 -0.60 -0.67 2.04 -1.34 0.20 117.51 118.01 3ko4 h ILE 56 Ca 0.13 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.00 3ko4 h ILE 56 Cb 0.20 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3ko4 h ILE 56 CO -0.28 0.00 0.40 -0.09 0.00 0.00 0.00 178.15 178.18 3ko4 h ARG 57 N -0.01 0.79 0.18 2.37 2.43 -1.02 0.15 114.38 119.27 3ko4 h ARG 57 Ca 0.06 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3ko4 h ARG 57 Cb 0.10 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3ko4 h ARG 57 CO -0.14 0.52 -0.09 0.87 -1.51 0.00 0.00 179.97 179.63 3ko4 h LYS 58 N 0.81 -0.23 -0.57 0.20 1.79 -0.46 -2.03 116.57 116.08 3ko4 h LYS 58 Ca 0.22 0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.79 3ko4 h LYS 58 Cb -0.09 0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 30.54 3ko4 h LYS 58 CO -0.05 0.18 0.20 0.00 -1.08 0.00 0.00 179.45 178.70 3ko4 h LEU 60 N 0.38 0.00 0.00 0.00 3.38 -0.76 -3.38 115.31 114.93 3ko4 h LEU 60 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3ko4 h LEU 60 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3ko4 h LEU 60 CO -0.29 0.20 -0.77 0.59 0.09 0.00 0.00 178.44 178.26 3ko4 n ASN 61 N -3.35 3.84 -4.66 -0.43 3.02 -0.77 -4.11 115.26 108.80 3ko4 n ASN 61 Ca 0.00 -0.09 -0.48 0.00 -0.03 0.00 0.00 54.58 53.99 3ko4 n ASN 61 Cb 0.42 0.94 -0.05 0.00 -0.61 0.00 0.00 39.78 40.49 3ko4 n ASN 61 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ko4 n LEU 62 N -1.32 2.80 -4.45 3.41 4.77 -0.31 -4.72 117.00 117.18 3ko4 n LEU 62 Ca 0.00 1.08 -0.44 0.00 -0.03 0.00 0.00 56.01 56.62 3ko4 n LEU 62 Cb 0.00 -1.36 -0.03 0.00 -2.33 0.00 0.00 43.42 39.71 3ko4 n LEU 62 CO 0.00 -0.43 0.94 -0.13 -1.33 0.00 0.00 177.39 176.44 3ko4 s ARG 63 N 1.32 3.53 0.00 3.23 0.52 -1.26 -4.31 118.95 121.98 3ko4 s ARG 63 Ca 0.83 -1.66 0.10 0.00 -0.52 0.00 0.00 55.73 54.47 3ko4 s ARG 63 Cb -0.76 -4.83 -0.00 0.00 0.52 0.00 0.00 34.95 29.89 3ko4 s ARG 63 CO 0.43 -1.77 0.63 1.28 0.02 0.00 0.00 175.30 175.89 3ko4 n LEU 64 N 6.63 1.20 -4.53 2.53 4.77 -0.85 -4.06 117.00 122.70 3ko4 n LEU 64 Ca 0.20 -0.76 -0.32 0.00 -0.03 0.00 0.00 56.01 55.10 3ko4 n LEU 64 Cb 0.49 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.46 3ko4 n LEU 64 CO 0.52 0.24 -0.43 0.26 -1.33 0.00 0.00 177.39 176.65 3ko4 s TRP 65 N -1.36 2.75 0.87 -1.77 0.51 -0.72 -4.84 118.94 114.38 3ko4 s TRP 65 Ca 0.08 -0.12 -0.12 0.00 -2.12 0.00 0.00 56.10 53.82 3ko4 s TRP 65 Cb 0.08 -1.58 0.11 0.00 -0.81 0.00 0.00 33.47 31.27 3ko4 s TRP 65 CO 0.25 0.29 1.10 -0.80 -0.51 0.00 0.00 176.95 177.29 3ko4 s ASN 66 N -1.22 3.80 0.00 2.95 0.01 -1.26 -0.54 114.94 118.67 3ko4 s ASN 66 Ca 0.15 1.28 0.00 0.00 -0.71 0.00 0.00 52.86 53.58 3ko4 s ASN 66 Cb -0.11 -1.97 0.00 0.00 0.41 0.00 0.00 41.25 39.59 3ko4 s ASN 66 CO 0.05 -2.41 0.49 -3.20 -1.51 0.00 0.00 177.10 170.52 3ko4 n ASN 67 N -3.71 0.00 0.00 -1.22 5.15 -1.26 -4.61 115.26 109.60 3ko4 n ASN 67 Ca 0.07 -1.14 0.00 0.00 -0.60 0.00 0.00 54.58 52.91 3ko4 n ASN 67 Cb 0.57 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 3ko4 n ASN 67 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 3ko4 n ASN 69 N 0.00 0.00 -4.21 1.20 0.23 -1.26 -4.79 115.26 106.44 3ko4 n ASN 69 Ca 0.00 0.00 -0.23 0.00 -0.53 0.00 0.00 54.58 53.82 3ko4 n ASN 69 Cb 0.53 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 38.09 3ko4 n ASN 69 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3ko4 s LYS 70 N 0.00 1.21 0.21 -3.83 1.02 -1.26 -5.14 119.74 111.95 3ko4 s LYS 70 Ca 0.00 -0.86 -0.09 0.00 0.02 0.00 0.00 55.97 55.04 3ko4 s LYS 70 Cb 0.00 -1.28 -0.07 0.00 -0.52 0.00 0.00 37.83 35.96 3ko4 s LYS 70 CO 0.00 0.32 0.52 0.95 -0.92 0.00 0.00 175.35 176.22 3ko4 s THR 71 N -0.81 4.97 -1.42 2.17 -4.23 -1.26 -4.47 115.64 110.60 3ko4 s THR 71 Ca 0.05 0.40 -0.02 0.00 -1.18 0.00 0.00 61.69 60.94 3ko4 s THR 71 Cb -0.08 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 70.15 3ko4 s THR 71 CO 0.02 -0.04 0.53 0.79 -0.54 0.00 0.00 174.62 175.37 3ko4 n TRP 72 N -0.07 -1.74 -0.12 3.99 7.02 -1.26 -4.88 117.44 120.38 3ko4 n TRP 72 Ca -0.00 0.78 -0.21 0.00 -1.02 0.00 0.00 57.50 57.04 3ko4 n TRP 72 Cb 0.52 -3.82 -0.07 0.00 -2.42 0.00 0.00 31.31 25.51 3ko4 n TRP 72 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3ko4 n ASP 73 N -2.97 1.94 -4.71 -0.99 2.03 -0.19 -4.67 116.55 106.99 3ko4 n ASP 73 Ca -0.26 0.35 -0.30 0.00 0.52 0.00 0.00 54.79 55.10 3ko4 n ASP 73 Cb 0.66 -0.80 -0.07 0.00 -0.72 0.00 0.00 41.12 40.19 3ko4 n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3ko4 s LYS 74 N -2.64 2.63 0.26 -0.67 -0.14 0.30 -4.78 119.74 114.70 3ko4 s LYS 74 Ca -0.34 -0.82 0.03 0.00 -1.36 0.00 0.00 55.97 53.49 3ko4 s LYS 74 Cb 0.10 -2.58 0.03 0.00 -1.68 0.00 0.00 37.83 33.71 3ko4 s LYS 74 CO 0.47 0.54 0.29 0.27 -0.76 0.00 0.00 175.35 176.16 3ko4 n ASN 75 N 0.47 1.35 0.24 2.83 0.23 -1.26 -1.76 115.26 117.36 3ko4 n ASN 75 Ca -0.10 -1.78 -0.17 0.00 -0.53 0.00 0.00 54.58 51.99 3ko4 n ASN 75 Cb 0.52 -0.12 -0.09 0.00 -2.08 0.00 0.00 39.78 38.01 3ko4 n ASN 75 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3ko4 h VAL 76 N 0.28 0.07 -0.30 3.53 2.07 -1.76 -2.94 116.25 117.19 3ko4 h VAL 76 Ca -0.14 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.42 3ko4 h VAL 76 Cb 0.58 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 3ko4 h VAL 76 CO 0.21 0.00 0.09 0.11 0.02 0.00 0.00 177.57 178.00 3ko4 h LYS 77 N -0.89 0.21 -0.47 1.57 1.57 -1.88 -1.25 116.57 115.42 3ko4 h LYS 77 Ca -0.04 -0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.87 3ko4 h LYS 77 Cb 0.81 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 3ko4 h LYS 77 CO -0.12 0.14 0.48 -0.44 -0.57 0.00 0.00 179.45 178.94 3ko4 h ASP 78 N 0.21 0.00 -0.05 0.86 3.32 -1.88 -0.75 116.42 118.14 3ko4 h ASP 78 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3ko4 h ASP 78 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3ko4 h ASP 78 CO -0.15 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.55 3ko4 n LEU 79 N -3.77 1.81 -2.64 1.55 4.77 -0.76 -4.94 117.00 113.02 3ko4 n LEU 79 Ca 0.09 -1.20 -0.19 0.00 -0.03 0.00 0.00 56.01 54.68 3ko4 n LEU 79 Cb 0.67 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.77 3ko4 n LEU 79 CO 0.28 0.39 0.04 -3.20 -1.33 0.00 0.00 177.39 173.58 3ko4 n ASN 80 N 0.36 -5.43 -3.76 -1.43 4.05 -0.29 -5.00 115.26 103.77 3ko4 n ASN 80 Ca 0.05 -0.28 -0.27 0.00 0.45 0.00 0.00 54.58 54.53 3ko4 n ASN 80 Cb 0.22 -4.22 0.19 0.00 1.23 0.00 0.00 39.78 37.19 3ko4 n ASN 80 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 3ko4 n TYR 81 N -4.36 -3.98 -4.16 1.20 4.01 -0.63 -5.02 117.16 104.23 3ko4 n TYR 81 Ca -0.08 -1.09 -0.24 0.00 -0.16 0.00 0.00 57.90 56.34 3ko4 n TYR 81 Cb 0.59 -0.94 -0.07 0.00 -0.31 0.00 0.00 39.34 38.61 3ko4 n TYR 81 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3ko4 s GLU 82 N -5.65 2.28 -0.06 -0.72 2.02 -0.71 -4.83 118.70 111.02 3ko4 s GLU 82 Ca 0.69 -1.65 -0.00 0.00 0.02 0.00 0.00 54.97 54.03 3ko4 s GLU 82 Cb -0.02 -2.08 0.02 0.00 0.10 0.00 0.00 34.13 32.15 3ko4 s GLU 82 CO 0.48 0.08 -0.03 -0.51 0.02 0.00 0.00 175.26 175.30 3ko4 s LEU 83 N -3.83 1.00 -0.30 1.80 1.02 -0.01 -1.34 118.68 117.02 3ko4 s LEU 83 Ca 0.38 -0.13 -0.07 0.00 0.02 0.00 0.00 54.13 54.33 3ko4 s LEU 83 Cb -0.01 -0.49 0.01 0.00 0.02 0.00 0.00 46.19 45.72 3ko4 s LEU 83 CO 0.22 -0.12 0.09 -0.22 0.02 0.00 0.00 176.35 176.34 3ko4 s LEU 84 N 1.46 3.93 -0.29 1.79 2.96 0.26 0.39 118.68 129.18 3ko4 s LEU 84 Ca -0.02 -0.74 -0.10 0.00 -0.22 0.00 0.00 54.13 53.04 3ko4 s LEU 84 Cb -0.13 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 3ko4 s LEU 84 CO -0.03 -0.21 0.16 -0.63 -1.32 0.00 0.00 176.35 174.32 3ko4 s ILE 85 N 1.50 4.83 -0.08 6.68 -1.09 -0.05 0.31 121.20 133.30 3ko4 s ILE 85 Ca 0.02 -0.17 0.03 0.00 -2.23 0.00 0.00 60.65 58.31 3ko4 s ILE 85 Cb -0.17 -3.37 0.01 0.00 -1.58 0.00 0.00 42.46 37.35 3ko4 s ILE 85 CO 0.03 0.17 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.06 3ko4 s VAL 86 N 1.67 1.44 0.14 2.92 1.01 0.35 -3.58 120.40 124.34 3ko4 s VAL 86 Ca 0.06 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 3ko4 s VAL 86 Cb -0.16 -1.28 -0.07 0.00 0.00 0.00 0.00 36.38 34.86 3ko4 s VAL 86 CO 0.08 0.42 1.20 -0.55 0.00 0.00 0.00 175.10 176.25 3ko4 s SER 87 N 0.59 7.08 -0.36 3.32 0.15 -1.26 0.76 113.70 123.98 3ko4 s SER 87 Ca -0.15 2.16 0.01 0.00 0.70 0.00 0.00 55.95 58.66 3ko4 s SER 87 Cb -0.16 -2.60 0.14 0.00 -1.71 0.00 0.00 66.02 61.69 3ko4 s SER 87 CO 0.05 -0.41 0.23 -1.10 1.20 0.00 0.00 173.24 173.21 3ko4 s GLN 88 N 0.25 0.59 0.52 5.44 -1.52 0.14 -4.78 119.66 120.31 3ko4 s GLN 88 Ca 0.55 -1.42 0.17 0.00 -1.95 0.00 0.00 55.36 52.71 3ko4 s GLN 88 Cb -0.32 -1.29 1.30 0.00 -0.22 0.00 0.00 33.01 32.48 3ko4 s GLN 88 CO 0.34 -1.24 2.15 0.27 -0.25 0.00 0.00 175.29 176.56 3ko4 h PHE 89 N 6.82 0.00 -0.10 0.91 -5.15 -1.95 -2.27 116.94 115.20 3ko4 h PHE 89 Ca 0.09 0.00 0.03 0.00 -0.20 0.00 0.00 57.97 57.89 3ko4 h PHE 89 Cb 0.96 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.13 3ko4 h PHE 89 CO 0.41 0.00 0.24 1.79 -2.00 0.00 0.00 178.31 178.75 3ko4 h THR 90 N 0.00 0.17 0.00 0.88 1.35 -1.93 0.43 112.91 113.82 3ko4 h THR 90 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 3ko4 h THR 90 Cb 0.02 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 67.22 3ko4 h THR 90 CO -0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 3ko4 n LEU 91 N -3.28 0.51 -1.29 3.87 4.77 -0.85 -0.97 117.00 119.76 3ko4 n LEU 91 Ca -0.00 0.70 -0.04 0.00 -0.03 0.00 0.00 56.01 56.64 3ko4 n LEU 91 Cb 0.33 -0.71 0.22 0.00 -2.33 0.00 0.00 43.42 40.92 3ko4 n LEU 91 CO 0.20 -0.77 0.79 0.49 -1.33 0.00 0.00 177.39 176.78 3ko4 n PHE 92 N -2.14 1.39 -2.53 -1.77 3.72 0.15 -4.94 117.46 111.34 3ko4 n PHE 92 Ca -0.00 -1.45 -0.43 0.00 -0.05 0.00 0.00 57.45 55.52 3ko4 n PHE 92 Cb 0.09 -0.52 -0.02 0.00 -0.94 0.00 0.00 39.48 38.09 3ko4 n PHE 92 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3ko4 s GLY 93 N -2.16 1.54 -0.08 1.37 0.00 -0.14 -4.19 107.32 103.66 3ko4 s GLY 93 Ca 0.46 0.13 -0.24 0.00 0.00 0.00 0.00 44.72 45.07 3ko4 s GLY 93 CO 0.04 2.40 0.71 0.21 0.00 0.00 0.00 173.10 176.47 3ko4 s ASN 94 N 2.01 6.98 -0.05 1.64 2.47 0.14 -4.80 114.94 123.33 3ko4 s ASN 94 Ca 0.50 1.19 0.08 0.00 0.42 0.00 0.00 52.86 55.05 3ko4 s ASN 94 Cb -0.16 -2.42 0.12 0.00 -1.45 0.00 0.00 41.25 37.34 3ko4 s ASN 94 CO 0.16 -0.15 1.00 0.35 -3.72 0.00 0.00 177.10 174.75 3ko4 n THR 95 N 3.89 1.10 -0.09 -5.21 -2.24 -1.26 -2.25 114.28 108.21 3ko4 n THR 95 Ca -0.01 -1.25 -0.08 0.00 -2.27 0.00 0.00 64.05 60.44 3ko4 n THR 95 Cb 0.51 0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 69.00 3ko4 n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3ko4 h LYS 96 N 0.00 0.37 0.00 -0.78 1.57 -1.96 -3.41 116.57 112.36 3ko4 h LYS 96 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3ko4 h LYS 96 Cb 0.88 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3ko4 h LYS 96 CO 0.00 0.25 0.00 1.17 -0.57 0.00 0.00 179.45 180.30 3ko4 n LYS 97 N -4.91 0.00 -0.37 3.15 3.00 -1.26 -5.02 118.16 112.75 3ko4 n LYS 97 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 3ko4 n LYS 97 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 35.03 35.06 3ko4 n LYS 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ko4 n GLY 98 N 3.03 0.19 0.07 3.14 0.00 -1.26 -5.02 105.19 105.34 3ko4 n GLY 98 Ca 0.00 -1.86 0.06 0.00 0.00 0.00 0.00 46.02 44.22 3ko4 n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ko4 n ASN 99 N -2.60 0.41 -4.67 1.61 3.02 -1.26 -4.77 115.26 106.99 3ko4 n ASN 99 Ca 0.00 0.17 -0.42 0.00 -0.03 0.00 0.00 54.58 54.29 3ko4 n ASN 99 Cb 0.00 1.06 -0.03 0.00 -0.61 0.00 0.00 39.78 40.20 3ko4 n ASN 99 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3ko4 s LYS 100 N -3.21 4.25 0.53 3.52 2.20 -1.26 -5.02 119.74 120.75 3ko4 s LYS 100 Ca -0.05 1.89 -0.16 0.00 -0.36 0.00 0.00 55.97 57.29 3ko4 s LYS 100 Cb 0.11 -3.74 -0.07 0.00 -1.51 0.00 0.00 37.83 32.61 3ko4 s LYS 100 CO 0.85 -0.68 1.00 -2.14 -0.36 0.00 0.00 175.35 174.01 3ko4 s PRO 101 N 3.18 3.87 -0.09 4.03 0.02 -1.26 -4.92 135.00 139.82 3ko4 s PRO 101 Ca 0.62 0.94 0.04 0.00 0.02 0.00 0.00 61.00 62.62 3ko4 s PRO 101 Cb -0.28 -2.12 -0.01 0.00 0.02 0.00 0.00 34.50 32.11 3ko4 s PRO 101 CO 0.23 -0.34 -0.20 0.16 -0.33 0.00 0.00 177.00 176.51 3ko4 s ASP 102 N -3.22 3.44 -0.65 2.53 1.47 -0.95 -4.86 116.67 114.43 3ko4 s ASP 102 Ca 0.59 -0.44 0.03 0.00 1.18 0.00 0.00 52.55 53.90 3ko4 s ASP 102 Cb -0.10 -1.20 0.37 0.00 -0.34 0.00 0.00 42.92 41.65 3ko4 s ASP 102 CO 0.35 0.21 1.38 0.49 0.68 0.00 0.00 175.17 178.29 3ko4 n PHE 103 N 3.17 3.38 0.65 2.11 3.72 -1.26 -0.69 117.46 128.55 3ko4 n PHE 103 Ca -0.18 -3.06 0.11 0.00 -0.05 0.00 0.00 57.45 54.27 3ko4 n PHE 103 Cb 0.52 -0.58 0.06 0.00 -0.94 0.00 0.00 39.48 38.54 3ko4 n PHE 103 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3ko4 n HIS 104 N -0.39 0.25 0.89 1.38 8.25 -1.26 -3.42 115.22 120.91 3ko4 n HIS 104 Ca 0.42 0.07 0.13 0.00 -0.26 0.00 0.00 57.72 58.07 3ko4 n HIS 104 Cb 0.44 -0.41 0.34 0.00 1.12 0.00 0.00 29.99 31.48 3ko4 n HIS 104 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ko4 n LEU 105 N -1.89 0.44 -4.68 2.41 4.32 -1.26 -4.84 117.00 111.50 3ko4 n LEU 105 Ca 0.03 0.21 -0.43 0.00 -0.02 0.00 0.00 56.01 55.80 3ko4 n LEU 105 Cb 0.42 -0.30 -0.02 0.00 -1.62 0.00 0.00 43.42 41.89 3ko4 n LEU 105 CO 0.39 0.04 0.92 0.00 -1.22 0.00 0.00 177.39 177.52 3ko4 s ALA 106 N -3.04 3.52 0.56 -1.18 0.00 -1.22 -0.29 121.76 120.11 3ko4 s ALA 106 Ca 0.11 0.46 -0.19 0.00 0.00 0.00 0.00 51.96 52.33 3ko4 s ALA 106 Cb 0.17 -3.51 -0.07 0.00 0.00 0.00 0.00 23.12 19.70 3ko4 s ALA 106 CO 0.66 -0.82 0.80 1.17 0.00 0.00 0.00 175.76 177.57 3ko4 n LYS 107 N 5.53 0.82 -1.78 0.00 4.81 -0.59 -4.69 118.16 122.26 3ko4 n LYS 107 Ca 0.11 0.31 -0.42 0.00 -0.87 0.00 0.00 58.31 57.44 3ko4 n LYS 107 Cb 0.47 -1.96 -0.03 0.00 0.02 0.00 0.00 35.03 33.52 3ko4 n LYS 107 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3ko4 s GLU 108 N -2.37 4.06 0.16 1.64 -6.30 -1.26 -4.73 118.70 109.89 3ko4 s GLU 108 Ca 0.71 2.40 0.07 0.00 -2.50 0.00 0.00 54.97 55.65 3ko4 s GLU 108 Cb -0.45 -4.12 0.54 0.00 0.00 0.00 0.00 34.13 30.09 3ko4 s GLU 108 CO 0.51 -1.03 0.72 -2.30 0.02 0.00 0.00 175.26 173.18 3ko4 n PRO 109 N 7.53 -0.03 -0.02 4.30 -0.02 -1.26 -0.07 135.00 145.42 3ko4 n PRO 109 Ca 0.20 0.64 -0.13 0.00 -2.02 0.00 0.00 63.50 62.19 3ko4 n PRO 109 Cb 0.42 -1.11 -0.09 0.00 -0.02 0.00 0.00 33.50 32.70 3ko4 n PRO 109 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3ko4 h ASN 110 N 0.00 0.12 0.75 2.55 2.35 -2.00 -1.91 115.58 117.44 3ko4 h ASN 110 Ca 0.35 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3ko4 h ASN 110 Cb 0.89 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.23 3ko4 h ASN 110 CO -0.37 0.51 0.00 -0.62 -1.65 0.00 0.00 177.43 175.30 3ko4 n GLU 111 N -4.80 0.09 0.07 0.81 1.02 0.90 -2.65 120.64 116.08 3ko4 n GLU 111 Ca -0.07 0.07 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 3ko4 n GLU 111 Cb 0.25 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.02 3ko4 n GLU 111 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ko4 h ALA 112 N 2.93 0.16 -0.79 0.62 0.00 -1.14 -2.71 119.26 118.32 3ko4 h ALA 112 Ca 0.00 -1.15 0.07 0.00 0.00 0.00 0.00 54.91 53.84 3ko4 h ALA 112 Cb 0.37 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 3ko4 h ALA 112 CO 0.00 1.02 0.52 1.25 0.00 0.00 0.00 179.25 182.04 3ko4 h LEU 113 N 0.11 0.72 -0.16 0.00 5.85 -1.11 0.20 115.31 120.92 3ko4 h LEU 113 Ca -0.35 0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.17 3ko4 h LEU 113 Cb 2.10 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 42.99 3ko4 h LEU 113 CO 0.18 0.45 -0.73 0.40 -0.34 0.00 0.00 178.44 178.41 3ko4 h ILE 114 N 0.81 1.29 -0.14 4.05 2.04 -1.61 -2.73 117.51 121.22 3ko4 h ILE 114 Ca 0.35 -1.93 -0.04 0.00 1.00 0.00 0.00 64.86 64.24 3ko4 h ILE 114 Cb 0.30 1.97 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3ko4 h ILE 114 CO -0.13 0.61 -0.07 0.15 0.00 0.00 0.00 178.15 178.72 3ko4 h PHE 115 N 0.51 0.33 0.74 1.37 3.04 -1.08 -2.86 116.94 118.98 3ko4 h PHE 115 Ca -0.05 -0.08 -0.03 0.00 3.98 0.00 0.00 57.97 61.79 3ko4 h PHE 115 Cb 1.36 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 39.78 3ko4 h PHE 115 CO 0.09 0.62 -0.46 -0.92 -2.02 0.00 0.00 178.31 175.62 3ko4 h TYR 116 N -0.05 -1.24 -0.40 0.41 5.03 -0.68 -1.43 116.97 118.61 3ko4 h TYR 116 Ca 0.03 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.44 3ko4 h TYR 116 Cb 0.54 0.44 -0.02 0.00 1.55 0.00 0.00 36.73 39.24 3ko4 h TYR 116 CO 0.07 -0.69 0.38 -0.91 -1.32 0.00 0.00 178.16 175.68 3ko4 h ASN 117 N -1.13 0.00 -0.12 -2.11 2.35 -1.58 0.21 115.58 113.20 3ko4 h ASN 117 Ca -0.10 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.48 3ko4 h ASN 117 Cb 0.91 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.28 3ko4 h ASN 117 CO 0.09 0.00 -0.54 0.11 -1.65 0.00 0.00 177.43 175.44 3ko4 h LYS 118 N 0.00 0.70 -0.15 0.81 1.57 -1.09 -2.26 116.57 116.16 3ko4 h LYS 118 Ca 0.19 -0.44 -0.22 0.00 -1.87 0.00 0.00 60.65 58.31 3ko4 h LYS 118 Cb 0.94 0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.30 3ko4 h LYS 118 CO -0.00 1.06 -0.76 0.82 -0.57 0.00 0.00 179.45 180.00 3ko4 h ILE 119 N 0.54 1.29 0.57 1.86 2.04 0.33 -2.66 117.51 121.49 3ko4 h ILE 119 Ca 0.01 -1.98 -0.03 0.00 1.00 0.00 0.00 64.86 63.87 3ko4 h ILE 119 Cb 1.11 1.97 0.01 0.00 -0.74 0.00 0.00 36.82 39.17 3ko4 h ILE 119 CO 0.11 0.62 -0.27 0.40 0.00 0.00 0.00 178.15 179.01 3ko4 h ILE 120 N 0.51 0.41 -0.99 -0.67 1.08 -1.11 0.22 117.51 116.96 3ko4 h ILE 120 Ca -0.04 -0.14 0.24 0.00 -0.39 0.00 0.00 64.86 64.53 3ko4 h ILE 120 Cb 1.38 0.47 -0.19 0.00 -3.07 0.00 0.00 36.82 35.41 3ko4 h ILE 120 CO 0.15 0.02 -0.11 0.44 -0.69 0.00 0.00 178.15 177.96 3ko4 h ASP 121 N -0.86 -0.70 1.51 1.72 3.32 -1.47 0.24 116.42 120.20 3ko4 h ASP 121 Ca -0.08 0.29 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3ko4 h ASP 121 Cb 0.62 0.55 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3ko4 h ASP 121 CO 0.13 -0.34 0.00 -0.08 -1.72 0.00 0.00 179.24 177.22 3ko4 h GLU 122 N 0.00 0.00 -0.04 3.56 4.57 -1.02 -1.11 114.58 120.54 3ko4 h GLU 122 Ca 0.54 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.70 3ko4 h GLU 122 Cb 0.99 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.58 3ko4 h GLU 122 CO -0.97 0.00 -0.07 0.74 -1.18 0.00 0.00 179.01 177.53 3ko4 h PHE 123 N 0.00 0.15 0.31 0.92 0.04 0.27 -2.76 116.94 115.88 3ko4 h PHE 123 Ca 0.00 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 3ko4 h PHE 123 Cb 0.76 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.88 3ko4 h PHE 123 CO 0.00 0.63 -0.15 0.87 -0.60 0.00 0.00 178.31 179.06 3ko4 h LYS 124 N -0.37 -0.40 -1.03 1.51 1.57 -1.28 -2.54 116.57 114.04 3ko4 h LYS 124 Ca 0.00 0.03 0.41 0.00 -1.87 0.00 0.00 60.65 59.22 3ko4 h LYS 124 Cb 0.62 0.09 -0.17 0.00 0.08 0.00 0.00 32.23 32.85 3ko4 h LYS 124 CO 0.02 -0.12 0.57 0.87 -0.57 0.00 0.00 179.45 180.21 3ko4 h LYS 125 N -0.67 0.05 -0.50 3.15 1.79 -1.33 -0.09 116.57 118.97 3ko4 h LYS 125 Ca -0.04 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3ko4 h LYS 125 Cb 0.47 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3ko4 h LYS 125 CO 0.07 0.04 0.00 0.94 -1.08 0.00 0.00 179.45 179.42 3ko4 n GLN 126 N -5.19 2.43 0.00 3.15 7.27 -0.98 -4.78 117.38 119.28 3ko4 n GLN 126 Ca 0.37 -2.19 0.00 0.00 0.07 0.00 0.00 57.00 55.25 3ko4 n GLN 126 Cb 1.26 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 32.41 3ko4 n GLN 126 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 3ko4 n TYR 127 N 1.33 0.00 -3.62 3.69 9.36 -0.40 -5.05 117.16 122.47 3ko4 n TYR 127 Ca 0.20 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.40 3ko4 n TYR 127 Cb 0.55 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.20 3ko4 n TYR 127 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3ko4 s ASN 128 N 1.70 -0.52 -0.05 2.98 3.84 -0.18 -5.02 114.94 117.69 3ko4 s ASN 128 Ca 0.00 0.82 0.06 0.00 0.21 0.00 0.00 52.86 53.95 3ko4 s ASN 128 Cb 0.00 1.27 0.27 0.00 -0.55 0.00 0.00 41.25 42.24 3ko4 s ASN 128 CO 0.00 -0.13 1.04 -0.90 -2.79 0.00 0.00 177.10 174.32 3ko4 n ASP 129 N 3.86 2.23 -0.00 -4.21 3.85 -1.26 -2.91 116.55 118.11 3ko4 n ASP 129 Ca -0.18 -2.21 0.04 0.00 -0.71 0.00 0.00 54.79 51.74 3ko4 n ASP 129 Cb 0.57 -0.43 -0.07 0.00 -1.35 0.00 0.00 41.12 39.85 3ko4 n ASP 129 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 3ko4 n ASP 130 N 0.24 2.83 0.07 -1.12 2.03 -1.26 -4.64 116.55 114.70 3ko4 n ASP 130 Ca 0.10 -0.03 0.13 0.00 0.52 0.00 0.00 54.79 55.50 3ko4 n ASP 130 Cb 0.46 1.39 0.34 0.00 -0.72 0.00 0.00 41.12 42.59 3ko4 n ASP 130 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3ko4 n LYS 131 N -1.78 0.21 -3.68 -0.67 4.76 -1.15 -4.84 118.16 111.02 3ko4 n LYS 131 Ca -0.01 0.12 -0.38 0.00 -2.87 0.00 0.00 58.31 55.17 3ko4 n LYS 131 Cb 0.23 -1.69 -0.12 0.00 -1.84 0.00 0.00 35.03 31.61 3ko4 n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ko4 s ILE 132 N -3.10 4.51 0.13 -0.18 -1.09 -1.25 -0.83 121.20 119.39 3ko4 s ILE 132 Ca 0.10 -0.41 0.08 0.00 -2.23 0.00 0.00 60.65 58.19 3ko4 s ILE 132 Cb 0.14 -3.28 -0.04 0.00 -1.58 0.00 0.00 42.46 37.70 3ko4 s ILE 132 CO 0.64 0.11 -0.12 -0.54 -1.23 0.00 0.00 174.94 173.80 3ko4 s LYS 133 N 1.60 2.02 0.42 2.79 -0.14 0.16 -4.99 119.74 121.60 3ko4 s LYS 133 Ca 0.05 -1.14 0.06 0.00 -1.36 0.00 0.00 55.97 53.58 3ko4 s LYS 133 Cb -0.17 -2.21 -0.07 0.00 -1.68 0.00 0.00 37.83 33.70 3ko4 s LYS 133 CO 0.06 0.48 0.01 0.96 -0.76 0.00 0.00 175.35 176.10 3ko4 s ILE 134 N -1.35 1.88 0.00 2.17 -4.36 -1.26 -0.87 121.20 117.41 3ko4 s ILE 134 Ca 0.22 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 3ko4 s ILE 134 Cb -0.10 -2.90 0.00 0.00 1.25 0.00 0.00 42.46 40.70 3ko4 s ILE 134 CO 0.13 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.92 3ko4 n GLY 135 N -0.99 0.91 3.26 6.27 0.00 -1.24 -4.70 105.19 108.70 3ko4 n GLY 135 Ca -0.06 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 3ko4 n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ko4 s LYS 136 N 1.83 3.27 0.37 1.61 -0.14 -1.26 -5.07 119.74 120.36 3ko4 s LYS 136 Ca 0.00 -0.69 -0.26 0.00 -1.36 0.00 0.00 55.97 53.66 3ko4 s LYS 136 Cb 0.00 -2.84 -0.12 0.00 -1.68 0.00 0.00 37.83 33.19 3ko4 s LYS 136 CO 0.00 -0.16 1.12 0.34 -0.76 0.00 0.00 175.35 175.89 3ko4 n PHE 137 N 4.61 1.61 -0.24 3.18 7.35 -1.26 -1.89 117.46 130.83 3ko4 n PHE 137 Ca -0.19 0.58 0.00 0.00 -0.76 0.00 0.00 57.45 57.08 3ko4 n PHE 137 Cb 0.51 -2.30 0.00 0.00 0.35 0.00 0.00 39.48 38.04 3ko4 n PHE 137 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ko4 n GLY 138 N 1.03 0.46 3.94 7.13 0.00 -1.26 -4.92 105.19 111.57 3ko4 n GLY 138 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 3ko4 n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ko4 s ASN 139 N -2.34 6.33 -0.01 1.61 0.01 -0.79 -5.05 114.94 114.70 3ko4 s ASN 139 Ca 0.00 0.45 -0.30 0.00 -0.71 0.00 0.00 52.86 52.30 3ko4 s ASN 139 Cb 0.00 -2.03 -0.05 0.00 0.41 0.00 0.00 41.25 39.58 3ko4 s ASN 139 CO 0.00 -0.22 1.31 -0.47 -1.51 0.00 0.00 177.10 176.20 3ko4 s TYR 140 N -2.19 3.04 -0.08 2.20 5.04 -1.26 -4.89 117.35 119.21 3ko4 s TYR 140 Ca 0.40 1.01 0.04 0.00 -2.44 0.00 0.00 57.07 56.08 3ko4 s TYR 140 Cb -0.10 -3.55 0.00 0.00 0.35 0.00 0.00 41.96 38.66 3ko4 s TYR 140 CO 0.34 -1.91 -0.21 -1.64 -1.34 0.00 0.00 175.55 170.78 3ko4 s MET 141 N 2.20 2.60 -0.17 4.97 -1.94 -1.26 -4.26 119.30 121.43 3ko4 s MET 141 Ca 0.60 -0.76 -0.08 0.00 -1.71 0.00 0.00 55.69 53.75 3ko4 s MET 141 Cb -0.29 -2.03 -0.04 0.00 2.01 0.00 0.00 34.83 34.48 3ko4 s MET 141 CO 0.25 0.17 0.10 1.21 -0.01 0.00 0.00 175.02 176.74 3ko4 s ASN 142 N 0.34 5.98 -0.25 3.03 2.47 0.11 -4.96 114.94 121.65 3ko4 s ASN 142 Ca -0.15 0.21 -0.04 0.00 0.42 0.00 0.00 52.86 53.30 3ko4 s ASN 142 Cb -0.17 -2.00 0.08 0.00 -1.45 0.00 0.00 41.25 37.71 3ko4 s ASN 142 CO 0.07 0.23 0.11 -0.63 -3.72 0.00 0.00 177.10 173.16 3ko4 s ILE 143 N 0.04 -0.04 -0.03 -5.21 1.01 -1.26 0.12 121.20 115.83 3ko4 s ILE 143 Ca 0.08 -0.56 -0.30 0.00 0.00 0.00 0.00 60.65 59.87 3ko4 s ILE 143 Cb -0.12 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.45 3ko4 s ILE 143 CO 0.00 -0.56 1.47 -1.81 0.00 0.00 0.00 174.94 174.04 3ko4 s ASP 144 N 2.10 6.79 -0.12 3.58 1.01 -0.54 -4.92 116.67 124.57 3ko4 s ASP 144 Ca 0.06 2.12 0.02 0.00 0.71 0.00 0.00 52.55 55.47 3ko4 s ASP 144 Cb -0.16 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.23 3ko4 s ASP 144 CO -0.26 -0.79 -0.17 -0.69 0.21 0.00 0.00 175.17 173.47 3ko4 s VAL 145 N 2.96 1.62 -0.58 -1.27 1.01 -1.26 -1.25 120.40 121.64 3ko4 s VAL 145 Ca 0.66 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 3ko4 s VAL 145 Cb -0.31 -1.47 0.13 0.00 0.00 0.00 0.00 36.38 34.73 3ko4 s VAL 145 CO 0.26 0.47 0.57 -0.89 0.00 0.00 0.00 175.10 175.51 3ko4 s THR 146 N 0.97 5.16 0.20 3.92 2.01 -0.71 -5.02 115.64 122.17 3ko4 s THR 146 Ca -0.06 -1.47 -0.30 0.00 0.31 0.00 0.00 61.69 60.17 3ko4 s THR 146 Cb -0.15 -4.39 -0.08 0.00 0.01 0.00 0.00 72.50 67.89 3ko4 s THR 146 CO -0.02 -0.94 1.21 0.20 -0.69 0.00 0.00 174.62 174.38 3ko4 s ASN 147 N 3.49 7.06 -0.86 3.53 0.01 -1.26 -0.33 114.94 126.57 3ko4 s ASN 147 Ca 0.06 2.29 -0.07 0.00 -0.71 0.00 0.00 52.86 54.44 3ko4 s ASN 147 Cb -0.27 -2.61 0.22 0.00 0.41 0.00 0.00 41.25 39.00 3ko4 s ASN 147 CO 0.03 -0.38 0.77 -0.62 -1.51 0.00 0.00 177.10 175.38 3ko4 s ASP 148 N 0.03 6.29 0.00 -1.22 -1.08 0.88 -4.75 116.67 116.82 3ko4 s ASP 148 Ca 0.52 -3.25 0.00 0.00 -0.52 0.00 0.00 52.55 49.31 3ko4 s ASP 148 Cb -0.34 -2.03 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 3ko4 s ASP 148 CO 0.38 -0.34 0.00 0.61 0.52 0.00 0.00 175.17 176.34 3ko4 n GLY 149 N 3.07 2.00 3.93 2.66 0.00 -1.26 -3.53 105.19 112.05 3ko4 n GLY 149 Ca 0.17 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 3ko4 n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ko4 s PRO 150 N 0.00 2.31 -0.10 1.61 0.04 -1.26 -5.17 135.00 132.43 3ko4 s PRO 150 Ca 0.00 -0.21 -0.02 0.00 0.04 0.00 0.00 61.00 60.81 3ko4 s PRO 150 Cb 0.00 -2.18 0.04 0.00 0.04 0.00 0.00 34.50 32.39 3ko4 s PRO 150 CO 0.00 -1.15 0.03 0.08 0.04 0.00 0.00 177.00 176.00 3ko4 s VAL 151 N -3.21 0.26 -0.09 -0.36 1.01 -1.23 -5.02 120.40 111.75 3ko4 s VAL 151 Ca 0.59 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.61 3ko4 s VAL 151 Cb -0.11 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.72 3ko4 s VAL 151 CO 0.45 0.09 -0.16 -0.89 0.00 0.00 0.00 175.10 174.59 3ko4 s THR 152 N 2.01 1.48 -0.00 3.92 2.01 -1.26 -0.41 115.64 123.39 3ko4 s THR 152 Ca 0.03 -0.66 0.07 0.00 0.31 0.00 0.00 61.69 61.45 3ko4 s THR 152 Cb -0.14 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.02 3ko4 s THR 152 CO -0.06 0.44 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.45 3ko4 s ILE 153 N 0.76 1.83 -0.10 1.82 -1.09 0.86 -4.95 121.20 120.34 3ko4 s ILE 153 Ca -0.12 -1.05 0.01 0.00 -2.23 0.00 0.00 60.65 57.26 3ko4 s ILE 153 Cb -0.16 -1.54 0.02 0.00 -1.58 0.00 0.00 42.46 39.21 3ko4 s ILE 153 CO 0.02 0.46 -0.10 -0.47 -1.23 0.00 0.00 174.94 173.62 3ko4 s TYR 154 N -0.60 1.57 -0.08 3.97 6.14 -1.26 -0.56 117.35 126.53 3ko4 s TYR 154 Ca 0.09 -0.73 0.03 0.00 0.64 0.00 0.00 57.07 57.10 3ko4 s TYR 154 Cb -0.09 -1.22 0.01 0.00 0.42 0.00 0.00 41.96 41.07 3ko4 s TYR 154 CO -0.00 -0.45 -0.17 0.42 0.64 0.00 0.00 175.55 175.99 3ko4 s ILE 155 N 1.29 1.49 -0.21 3.14 1.01 -0.63 -5.00 121.20 122.28 3ko4 s ILE 155 Ca -0.02 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.94 3ko4 s ILE 155 Cb -0.14 -1.32 0.03 0.00 0.01 0.00 0.00 42.46 41.04 3ko4 s ILE 155 CO -0.04 0.43 -0.14 -0.62 0.00 0.00 0.00 174.94 174.57 3ko4 s ASP 156 N 0.54 3.73 0.47 3.58 -1.08 -1.26 -1.43 116.67 121.21 3ko4 s ASP 156 Ca -0.16 -0.83 0.17 0.00 -0.52 0.00 0.00 52.55 51.21 3ko4 s ASP 156 Cb -0.17 -1.55 1.11 0.00 -1.46 0.00 0.00 42.92 40.85 3ko4 s ASP 156 CO 0.06 -0.07 2.02 0.71 0.52 0.00 0.00 175.17 178.41 3ko4 h THR 157 N 6.13 1.02 0.00 1.71 1.35 -1.51 -2.17 112.91 119.44 3ko4 h THR 157 Ca -0.37 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 3ko4 h THR 157 Cb 1.11 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 3ko4 h THR 157 CO 0.59 0.15 0.00 1.41 -0.25 0.00 0.00 175.52 177.42 3ko4 n HIS 158 N -4.22 0.00 -0.05 4.73 8.25 -1.26 -1.69 115.22 120.97 3ko4 n HIS 158 Ca -0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.47 3ko4 n HIS 158 Cb 0.23 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.42 3ko4 n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3ko4 n ASP 159 N -0.63 2.42 -0.35 0.41 8.00 -0.82 -5.19 116.55 120.39 3ko4 n ASP 159 Ca 0.00 -1.90 0.04 0.00 0.71 0.00 0.00 54.79 53.65 3ko4 n ASP 159 Cb 0.00 -0.12 0.04 0.00 -0.02 0.00 0.00 41.12 41.02 3ko4 n ASP 159 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43