#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksh s SER 2 N 0.00 2.48 -0.18 7.83 0.01 -1.26 -5.13 113.70 117.46 2ksh s SER 2 Ca 0.00 -0.42 -0.08 0.00 1.31 0.00 0.00 55.95 56.76 2ksh s SER 2 Cb 0.00 -0.80 -0.04 0.00 0.21 0.00 0.00 66.02 65.39 2ksh s SER 2 CO 0.00 0.16 0.09 -0.76 0.41 0.00 0.00 173.24 173.15 2ksh s LEU 3 N 0.10 3.99 0.43 2.44 1.43 -1.26 -4.98 118.68 120.83 2ksh s LEU 3 Ca -0.07 0.16 0.13 0.00 -1.03 0.00 0.00 54.13 53.33 2ksh s LEU 3 Cb -0.13 -2.01 1.02 0.00 0.03 0.00 0.00 46.19 45.09 2ksh s LEU 3 CO 0.04 0.20 1.98 0.07 0.23 0.00 0.00 176.35 178.87 2ksh h LYS 4 N 6.53 0.41 0.00 1.70 -0.00 -2.00 0.12 116.57 123.32 2ksh h LYS 4 Ca -0.40 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.23 2ksh h LYS 4 Cb 1.16 -0.09 0.00 0.00 -0.00 0.00 0.00 32.23 33.30 2ksh h LYS 4 CO 0.71 0.27 0.00 0.77 -0.00 0.00 0.00 179.45 181.20 2ksh h SER 5 N 0.42 0.00 -0.98 7.07 0.02 -1.94 -2.31 113.55 115.83 2ksh h SER 5 Ca 0.27 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 61.37 2ksh h SER 5 Cb 0.51 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.96 2ksh h SER 5 CO -0.07 0.00 0.62 0.44 -1.14 0.00 0.00 176.83 176.67 2ksh h ASP 6 N 0.00 0.82 -0.55 3.07 3.32 -1.17 -0.79 116.42 121.12 2ksh h ASP 6 Ca 0.00 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 2ksh h ASP 6 Cb 0.01 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2ksh h ASP 6 CO 0.00 0.39 0.17 -0.33 -1.72 0.00 0.00 179.24 177.75 2ksh h GLU 7 N 0.85 0.86 -0.24 3.56 4.39 -1.61 -2.52 114.58 119.87 2ksh h GLU 7 Ca 0.51 -0.19 0.04 0.00 0.34 0.00 0.00 59.36 60.07 2ksh h GLU 7 Cb 0.68 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.17 2ksh h GLU 7 CO -0.28 0.78 -0.00 0.28 -1.16 0.00 0.00 179.01 178.63 2ksh h VAL 8 N 0.76 0.83 -0.44 3.13 2.07 -1.32 -0.57 116.25 120.71 2ksh h VAL 8 Ca 0.18 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.68 2ksh h VAL 8 Cb 0.29 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2ksh h VAL 8 CO -0.00 0.01 0.29 -0.26 0.02 0.00 0.00 177.57 177.63 2ksh h PHE 9 N 0.07 0.55 -0.15 1.57 0.04 -1.33 0.28 116.94 117.97 2ksh h PHE 9 Ca 0.11 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.86 2ksh h PHE 9 Cb 0.14 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.10 2ksh h PHE 9 CO -0.19 0.35 -0.06 0.00 -0.60 0.00 0.00 178.31 177.80 2ksh h ALA 10 N 1.73 0.21 -0.08 2.45 0.00 -0.85 -1.62 119.26 121.09 2ksh h ALA 10 Ca 0.16 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2ksh h ALA 10 Cb -0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2ksh h ALA 10 CO -0.04 -0.00 -0.09 1.57 0.00 0.00 0.00 179.25 180.70 2ksh h LYS 11 N -0.02 0.21 -1.00 0.00 2.10 -0.72 -2.76 116.57 114.38 2ksh h LYS 11 Ca 0.03 -0.11 0.09 0.00 -2.00 0.00 0.00 60.65 58.66 2ksh h LYS 11 Cb 0.52 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.78 2ksh h LYS 11 CO 0.02 0.64 0.64 0.82 -2.00 0.00 0.00 179.45 179.57 2ksh h ILE 12 N -0.22 1.03 -0.27 0.07 2.04 -0.52 -2.11 117.51 117.52 2ksh h ILE 12 Ca 0.01 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 2ksh h ILE 12 Cb 0.60 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 2ksh h ILE 12 CO 0.02 0.20 0.13 0.00 0.00 0.00 0.00 178.15 178.50 2ksh h ALA 13 N 1.48 0.35 -0.38 1.87 0.00 -1.27 -2.25 119.26 119.07 2ksh h ALA 13 Ca 0.46 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.38 2ksh h ALA 13 Cb 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2ksh h ALA 13 CO -0.21 -0.08 0.29 -0.22 0.00 0.00 0.00 179.25 179.03 2ksh h LYS 14 N 0.31 0.00 0.02 0.00 3.64 -1.09 0.07 116.57 119.52 2ksh h LYS 14 Ca 0.09 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.25 2ksh h LYS 14 Cb 0.13 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2ksh h LYS 14 CO -0.01 0.00 -0.96 0.00 -2.27 0.00 0.00 179.45 176.21 2ksh h ARG 15 N 0.00 0.29 0.00 1.90 2.47 -1.07 -3.13 114.38 114.85 2ksh h ARG 15 Ca 0.18 -0.34 -0.00 0.00 -1.26 0.00 0.00 59.98 58.55 2ksh h ARG 15 Cb 0.75 0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.18 2ksh h ARG 15 CO -0.00 1.06 -0.02 -0.07 0.56 0.00 0.00 179.97 181.50 2ksh h LEU 16 N 0.15 0.00 -0.03 3.04 3.38 -0.49 0.61 115.31 121.97 2ksh h LEU 16 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2ksh h LEU 16 Cb 1.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.36 2ksh h LEU 16 CO 0.16 0.02 -0.04 -0.62 0.09 0.00 0.00 178.44 178.04 2ksh n GLU 17 N -3.31 0.24 0.00 1.13 1.02 -1.14 -3.09 120.64 115.51 2ksh n GLU 17 Ca -0.02 -0.03 0.11 0.00 -0.02 0.00 0.00 57.16 57.20 2ksh n GLU 17 Cb 0.13 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.95 2ksh n GLU 17 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2ksh n SER 18 N -1.36 0.62 -4.69 1.62 7.64 0.20 -4.97 113.62 112.69 2ksh n SER 18 Ca 0.11 -0.53 -0.41 0.00 1.01 0.00 0.00 58.87 59.05 2ksh n SER 18 Cb 0.29 1.22 0.01 0.00 -1.01 0.00 0.00 64.21 64.72 2ksh n SER 18 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2ksh n ILE 19 N -1.81 2.64 -4.37 0.44 5.41 -1.18 -5.01 119.36 115.48 2ksh n ILE 19 Ca 0.01 -0.50 -0.26 0.00 1.00 0.00 0.00 62.75 63.01 2ksh n ILE 19 Cb 0.42 -1.49 -0.12 0.00 -0.71 0.00 0.00 39.64 37.74 2ksh n ILE 19 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2ksh s ASP 20 N -0.61 3.05 0.40 4.38 1.11 -1.26 -5.04 116.67 118.71 2ksh s ASP 20 Ca 0.62 -0.80 0.19 0.00 0.18 0.00 0.00 52.55 52.75 2ksh s ASP 20 Cb -0.51 -0.20 0.84 0.00 1.07 0.00 0.00 42.92 44.13 2ksh s ASP 20 CO 0.57 0.09 1.82 1.55 1.18 0.00 0.00 175.17 180.38 2ksh h PRO 21 N 3.57 0.00 0.44 8.23 0.13 -2.02 -3.24 132.00 139.11 2ksh h PRO 21 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 2ksh h PRO 21 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ksh h PRO 21 CO 0.45 0.32 -0.25 0.00 -0.23 0.00 0.00 178.00 178.28 2ksh h ALA 22 N 1.68 -0.65 -3.01 -0.56 0.00 -2.02 -3.39 119.26 111.30 2ksh h ALA 22 Ca -0.00 -0.13 -0.67 0.00 0.00 0.00 0.00 54.91 54.10 2ksh h ALA 22 Cb 0.74 0.30 -0.26 0.00 0.00 0.00 0.00 17.79 18.57 2ksh h ALA 22 CO 0.04 -0.87 -0.62 1.21 0.00 0.00 0.00 179.25 179.01 2ksh s ASN 23 N -4.63 5.13 -0.46 0.00 3.84 -1.22 -5.00 114.94 112.61 2ksh s ASN 23 Ca -0.16 -0.66 0.04 0.00 0.21 0.00 0.00 52.86 52.28 2ksh s ASN 23 Cb 0.05 -1.89 0.19 0.00 -0.55 0.00 0.00 41.25 39.05 2ksh s ASN 23 CO 0.63 -0.18 0.80 -0.13 -2.79 0.00 0.00 177.10 175.43 2ksh s ARG 24 N 1.51 0.83 0.11 0.43 0.52 -1.26 -4.44 118.95 116.65 2ksh s ARG 24 Ca 0.03 -0.72 -0.29 0.00 -0.52 0.00 0.00 55.73 54.23 2ksh s ARG 24 Cb -0.17 -0.01 -0.09 0.00 0.52 0.00 0.00 34.95 35.20 2ksh s ARG 24 CO 0.03 -1.05 1.60 1.96 0.02 0.00 0.00 175.30 177.86 2ksh h GLN 25 N 5.21 -0.57 -2.13 3.54 1.08 -1.97 -3.45 115.11 116.82 2ksh h GLN 25 Ca 0.04 0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.21 2ksh h GLN 25 Cb 1.14 0.13 -0.19 0.00 -0.05 0.00 0.00 27.48 28.51 2ksh h GLN 25 CO -0.00 -0.38 0.13 0.54 -0.95 0.00 0.00 178.83 178.17 2ksh s VAL 26 N -5.97 0.01 -0.30 -0.54 0.11 -1.26 -5.16 120.40 107.29 2ksh s VAL 26 Ca -0.16 -0.06 -0.13 0.00 -2.93 0.00 0.00 61.98 58.70 2ksh s VAL 26 Cb 0.08 -0.95 0.15 0.00 -1.53 0.00 0.00 36.38 34.13 2ksh s VAL 26 CO 0.64 -0.03 0.85 -1.83 -3.33 0.00 0.00 175.10 171.39 2ksh s GLU 27 N -1.15 0.42 0.14 1.54 4.04 -1.26 -5.08 118.70 117.35 2ksh s GLU 27 Ca -0.11 1.03 -0.01 0.00 0.04 0.00 0.00 54.97 55.92 2ksh s GLU 27 Cb -0.01 0.60 -0.04 0.00 0.02 0.00 0.00 34.13 34.70 2ksh s GLU 27 CO 0.09 -0.14 0.06 -1.01 -1.84 0.00 0.00 175.26 172.42 2ksh s HIS 28 N 2.57 0.91 0.22 4.83 3.76 -1.26 -5.08 115.29 121.24 2ksh s HIS 28 Ca -0.04 -1.25 -0.31 0.00 -0.15 0.00 0.00 55.06 53.31 2ksh s HIS 28 Cb -0.08 -0.50 -0.11 0.00 1.11 0.00 0.00 32.58 33.00 2ksh s HIS 28 CO -0.18 -0.53 1.57 0.08 -0.85 0.00 0.00 174.74 174.84 2ksh s VAL 29 N -4.05 2.41 -0.06 -0.90 1.01 -1.26 -4.98 120.40 112.56 2ksh s VAL 29 Ca 0.26 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.56 2ksh s VAL 29 Cb 0.07 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.27 2ksh s VAL 29 CO 0.03 0.03 -0.06 -0.31 0.00 0.00 0.00 175.10 174.79 2ksh s TYR 30 N 0.67 0.98 0.01 5.22 2.02 -1.26 -2.87 117.35 122.12 2ksh s TYR 30 Ca 0.67 -0.33 -0.18 0.00 -0.37 0.00 0.00 57.07 56.87 2ksh s TYR 30 Cb -0.45 -0.82 -0.06 0.00 -0.40 0.00 0.00 41.96 40.23 2ksh s TYR 30 CO 0.37 -0.24 0.50 0.21 -1.57 0.00 0.00 175.55 174.82 2ksh s LYS 31 N 0.96 4.14 -0.31 -0.62 2.20 -0.74 -3.26 119.74 122.11 2ksh s LYS 31 Ca -0.10 0.58 0.00 0.00 -0.36 0.00 0.00 55.97 56.09 2ksh s LYS 31 Cb -0.14 -3.28 0.10 0.00 -1.51 0.00 0.00 37.83 33.00 2ksh s LYS 31 CO 0.00 0.54 0.08 -0.06 -0.36 0.00 0.00 175.35 175.56 2ksh s PHE 32 N -0.70 2.26 -0.19 4.03 0.08 -0.02 0.33 117.98 123.77 2ksh s PHE 32 Ca 0.27 -2.06 -0.07 0.00 0.12 0.00 0.00 56.93 55.19 2ksh s PHE 32 Cb -0.18 -2.02 -0.04 0.00 -0.57 0.00 0.00 43.02 40.22 2ksh s PHE 32 CO 0.15 -0.89 0.05 -0.98 -0.10 0.00 0.00 175.22 173.45 2ksh s ARG 33 N 1.43 3.85 -0.16 0.44 1.70 -0.64 -0.93 118.95 124.64 2ksh s ARG 33 Ca 0.09 -0.40 -0.06 0.00 -0.47 0.00 0.00 55.73 54.89 2ksh s ARG 33 Cb -0.18 -3.19 -0.04 0.00 -0.57 0.00 0.00 34.95 30.97 2ksh s ARG 33 CO -0.20 0.16 0.06 0.42 -1.08 0.00 0.00 175.30 174.66 2ksh s ILE 34 N 0.66 4.79 -0.07 4.99 1.01 -0.89 -2.01 121.20 129.69 2ksh s ILE 34 Ca 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.61 2ksh s ILE 34 Cb -0.13 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 2ksh s ILE 34 CO 0.02 0.51 0.04 0.42 0.00 0.00 0.00 174.94 175.92 2ksh s THR 35 N -0.02 4.55 -0.62 2.92 -4.23 -1.17 -1.83 115.64 115.24 2ksh s THR 35 Ca 0.06 -0.25 -0.22 0.00 -1.18 0.00 0.00 61.69 60.10 2ksh s THR 35 Cb -0.12 -2.97 0.06 0.00 1.34 0.00 0.00 72.50 70.81 2ksh s THR 35 CO 0.01 0.53 0.91 -1.10 -0.54 0.00 0.00 174.62 174.44 2ksh s GLN 36 N -1.15 3.16 0.00 3.99 -0.21 0.22 -3.39 119.66 122.27 2ksh s GLN 36 Ca 0.16 -0.74 0.00 0.00 0.02 0.00 0.00 55.36 54.80 2ksh s GLN 36 Cb -0.12 -4.18 0.00 0.00 1.00 0.00 0.00 33.01 29.71 2ksh s GLN 36 CO 0.06 -1.67 0.00 0.41 -2.12 0.00 0.00 175.29 171.96 2ksh n GLY 37 N 5.26 0.97 0.00 3.09 0.00 -1.26 -2.88 105.19 110.37 2ksh n GLY 37 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2ksh n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ksh n GLY 38 N 0.00 0.00 3.16 -0.02 0.00 -1.26 -5.08 105.19 101.99 2ksh n GLY 38 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2ksh n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ksh s LYS 39 N 0.00 2.56 0.27 1.61 -2.85 -1.14 -5.02 119.74 115.16 2ksh s LYS 39 Ca 0.00 -0.73 -0.30 0.00 -1.00 0.00 0.00 55.97 53.93 2ksh s LYS 39 Cb 0.00 -1.99 -0.13 0.00 -2.06 0.00 0.00 37.83 33.64 2ksh s LYS 39 CO 0.00 0.16 1.32 1.55 0.10 0.00 0.00 175.35 178.47 2ksh n VAL 40 N 3.54 1.33 -0.02 1.79 3.14 -1.26 0.70 118.33 127.54 2ksh n VAL 40 Ca -0.20 -0.33 -0.01 0.00 -2.96 0.00 0.00 64.34 60.83 2ksh n VAL 40 Cb 0.53 -1.41 -0.03 0.00 -1.06 0.00 0.00 33.84 31.87 2ksh n VAL 40 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2ksh n VAL 41 N 1.29 0.24 -3.53 1.55 3.14 -0.76 -4.75 118.33 115.51 2ksh n VAL 41 Ca 0.10 -0.16 -0.09 0.00 -2.96 0.00 0.00 64.34 61.23 2ksh n VAL 41 Cb 0.32 -0.72 -0.03 0.00 -1.06 0.00 0.00 33.84 32.36 2ksh n VAL 41 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2ksh s LYS 42 N -2.13 0.70 -0.06 1.45 2.20 -1.22 -5.06 119.74 115.62 2ksh s LYS 42 Ca -0.02 -0.15 0.03 0.00 -0.36 0.00 0.00 55.97 55.47 2ksh s LYS 42 Cb 0.01 0.32 0.01 0.00 -1.51 0.00 0.00 37.83 36.67 2ksh s LYS 42 CO 0.17 -0.28 -0.15 -0.80 -0.36 0.00 0.00 175.35 173.93 2ksh s ASN 43 N -2.05 2.03 0.11 1.43 -0.87 -1.26 -2.10 114.94 112.23 2ksh s ASN 43 Ca 0.03 -0.34 0.04 0.00 -1.57 0.00 0.00 52.86 51.02 2ksh s ASN 43 Cb -0.01 -0.84 -0.04 0.00 -0.02 0.00 0.00 41.25 40.34 2ksh s ASN 43 CO -0.05 0.08 0.07 0.26 -2.57 0.00 0.00 177.10 174.89 2ksh s TRP 44 N 0.46 3.11 -0.05 2.20 0.52 -0.11 -4.03 118.94 121.03 2ksh s TRP 44 Ca -0.12 0.01 -0.00 0.00 0.02 0.00 0.00 56.10 56.01 2ksh s TRP 44 Cb -0.15 -1.55 0.03 0.00 -1.15 0.00 0.00 33.47 30.64 2ksh s TRP 44 CO 0.04 0.51 -0.01 0.08 0.02 0.00 0.00 176.95 177.59 2ksh s VAL 45 N -1.50 0.39 -0.19 4.03 1.01 -0.77 -0.84 120.40 122.54 2ksh s VAL 45 Ca 0.29 0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.18 2ksh s VAL 45 Cb -0.11 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 2ksh s VAL 45 CO 0.21 0.23 0.21 0.00 0.00 0.00 0.00 175.10 175.75 2ksh s MET 46 N 1.43 4.19 0.00 2.72 0.23 -1.20 -1.71 119.30 124.96 2ksh s MET 46 Ca -0.03 -0.09 0.00 0.00 -1.03 0.00 0.00 55.69 54.54 2ksh s MET 46 Cb -0.13 -3.45 0.00 0.00 -1.53 0.00 0.00 34.83 29.71 2ksh s MET 46 CO -0.03 0.20 0.00 -3.47 -2.03 0.00 0.00 175.02 169.70 2ksh n ASP 47 N 3.77 -0.64 0.00 -1.18 2.03 0.11 -4.07 116.55 116.57 2ksh n ASP 47 Ca -0.14 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.16 2ksh n ASP 47 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 2ksh n ASP 47 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2ksh n LEU 48 N 0.00 0.00 0.10 -2.67 0.00 -1.26 -4.59 117.00 108.58 2ksh n LEU 48 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 56.01 55.96 2ksh n LEU 48 Cb 0.00 0.17 0.02 0.00 0.00 0.00 0.00 43.42 43.60 2ksh n LEU 48 CO 0.00 -0.25 0.30 0.50 0.00 0.00 0.00 177.39 177.95 2ksh h LYS 49 N 0.00 0.02 0.00 1.96 3.11 -1.97 -3.26 116.57 116.43 2ksh h LYS 49 Ca 0.00 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 2ksh h LYS 49 Cb 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.24 2ksh h LYS 49 CO 0.00 0.83 -1.91 -1.71 -2.81 0.00 0.00 179.45 173.85 2ksh n ASN 50 N -3.58 0.08 -2.79 4.20 2.85 -1.26 -5.01 115.26 109.75 2ksh n ASN 50 Ca -0.01 -0.02 -0.14 0.00 -0.11 0.00 0.00 54.58 54.30 2ksh n ASN 50 Cb 0.79 1.88 0.06 0.00 1.24 0.00 0.00 39.78 43.75 2ksh n ASN 50 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 2ksh n VAL 51 N -2.25 -3.67 -4.03 3.44 0.31 -1.23 -5.03 118.33 105.86 2ksh n VAL 51 Ca -0.04 -0.24 -0.11 0.00 -0.01 0.00 0.00 64.34 63.94 2ksh n VAL 51 Cb 0.56 -4.00 -0.11 0.00 -0.91 0.00 0.00 33.84 29.38 2ksh n VAL 51 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2ksh s LYS 52 N -5.34 0.44 -0.15 5.55 2.20 -1.26 -4.63 119.74 116.55 2ksh s LYS 52 Ca 0.15 -0.70 -0.08 0.00 -0.36 0.00 0.00 55.97 54.98 2ksh s LYS 52 Cb -0.07 -0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.08 2ksh s LYS 52 CO 0.54 0.01 0.13 -0.51 -0.36 0.00 0.00 175.35 175.16 2ksh s LEU 53 N -1.53 4.30 0.11 5.43 1.02 -1.26 0.07 118.68 126.81 2ksh s LEU 53 Ca -0.12 0.37 -0.06 0.00 0.02 0.00 0.00 54.13 54.33 2ksh s LEU 53 Cb -0.10 -2.07 -0.02 0.00 0.02 0.00 0.00 46.19 44.02 2ksh s LEU 53 CO -0.00 0.32 0.16 -0.69 0.02 0.00 0.00 176.35 176.15 2ksh s VAL 54 N -0.46 0.12 -0.54 -1.59 1.01 -0.69 -4.96 120.40 113.29 2ksh s VAL 54 Ca 0.12 -1.49 -0.23 0.00 0.00 0.00 0.00 61.98 60.38 2ksh s VAL 54 Cb -0.12 -1.66 0.04 0.00 0.00 0.00 0.00 36.38 34.65 2ksh s VAL 54 CO 0.02 -0.57 0.89 -1.83 0.00 0.00 0.00 175.10 173.61 2ksh s GLU 55 N -3.94 3.30 0.25 2.72 -1.05 -1.26 -1.84 118.70 116.88 2ksh s GLU 55 Ca 0.13 -0.36 -0.13 0.00 -0.15 0.00 0.00 54.97 54.46 2ksh s GLU 55 Cb 0.05 -4.06 -0.00 0.00 -0.44 0.00 0.00 34.13 29.68 2ksh s GLU 55 CO -0.05 -1.44 0.48 0.45 0.95 0.00 0.00 175.26 175.65 2ksh s SER 56 N 2.80 -0.07 0.00 0.83 0.15 -1.26 -4.94 113.70 111.22 2ksh s SER 56 Ca 0.28 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2ksh s SER 56 Cb -0.14 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 2ksh s SER 56 CO 0.18 -1.15 0.73 -0.67 1.20 0.00 0.00 173.24 173.53 2ksh n ASP 57 N -0.41 1.42 -4.30 5.45 -0.08 -1.26 -4.00 116.55 113.36 2ksh n ASP 57 Ca -0.02 -1.50 -0.33 0.00 -1.51 0.00 0.00 54.79 51.43 2ksh n ASP 57 Cb 0.62 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.21 2ksh n ASP 57 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2ksh n ASP 58 N -0.25 -2.52 -4.54 1.67 2.03 -1.26 -4.93 116.55 106.75 2ksh n ASP 58 Ca 0.00 0.10 -0.29 0.00 0.52 0.00 0.00 54.79 55.12 2ksh n ASP 58 Cb 0.16 -1.03 0.23 0.00 -0.72 0.00 0.00 41.12 39.76 2ksh n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ksh s ALA 59 N -2.28 0.07 0.10 -1.67 0.00 -1.26 -5.05 121.76 111.67 2ksh s ALA 59 Ca 0.54 0.11 -0.24 0.00 0.00 0.00 0.00 51.96 52.37 2ksh s ALA 59 Cb -0.15 -3.32 0.07 0.00 0.00 0.00 0.00 23.12 19.72 2ksh s ALA 59 CO 0.68 -3.56 0.60 0.00 0.00 0.00 0.00 175.76 173.47 2ksh s ALA 60 N -2.50 -1.58 0.55 0.00 0.00 -1.26 -5.02 121.76 111.95 2ksh s ALA 60 Ca 0.68 0.65 0.24 0.00 0.00 0.00 0.00 51.96 53.52 2ksh s ALA 60 Cb -0.25 0.65 1.50 0.00 0.00 0.00 0.00 23.12 25.02 2ksh s ALA 60 CO 0.63 -0.66 2.12 0.93 0.00 0.00 0.00 175.76 178.79 2ksh h GLU 61 N 2.30 0.00 -2.66 0.00 4.39 -1.91 -3.44 114.58 113.26 2ksh h GLU 61 Ca -0.32 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.43 2ksh h GLU 61 Cb 1.26 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.79 2ksh h GLU 61 CO 0.39 0.00 0.35 0.00 -1.16 0.00 0.00 179.01 178.59 2ksh s ALA 62 N -4.86 -1.67 -0.09 3.43 0.00 -1.24 -3.69 121.76 113.63 2ksh s ALA 62 Ca -0.05 0.63 0.03 0.00 0.00 0.00 0.00 51.96 52.57 2ksh s ALA 62 Cb 0.17 0.67 0.01 0.00 0.00 0.00 0.00 23.12 23.97 2ksh s ALA 62 CO 0.63 -0.77 -0.18 0.99 0.00 0.00 0.00 175.76 176.43 2ksh s THR 63 N -3.47 1.63 -0.33 0.00 2.01 -1.06 -1.79 115.64 112.64 2ksh s THR 63 Ca 0.04 -0.76 -0.03 0.00 0.31 0.00 0.00 61.69 61.26 2ksh s THR 63 Cb -0.01 -1.45 0.06 0.00 0.01 0.00 0.00 72.50 71.11 2ksh s THR 63 CO -0.09 0.47 0.05 -0.76 -0.69 0.00 0.00 174.62 173.60 2ksh s LEU 64 N 0.62 4.21 -0.21 4.42 1.02 0.15 -0.44 118.68 128.45 2ksh s LEU 64 Ca -0.14 -1.38 -0.07 0.00 0.02 0.00 0.00 54.13 52.56 2ksh s LEU 64 Cb -0.16 -1.76 -0.03 0.00 0.02 0.00 0.00 46.19 44.25 2ksh s LEU 64 CO 0.04 -0.32 0.06 -0.89 0.02 0.00 0.00 176.35 175.26 2ksh s THR 65 N 1.26 4.53 -0.03 5.49 2.01 0.08 -1.62 115.64 127.35 2ksh s THR 65 Ca -0.02 -0.11 -0.29 0.00 0.31 0.00 0.00 61.69 61.58 2ksh s THR 65 Cb -0.20 -3.07 0.07 0.00 0.01 0.00 0.00 72.50 69.30 2ksh s THR 65 CO -0.01 0.40 0.64 0.00 -0.69 0.00 0.00 174.62 174.96 2ksh s MET 66 N 0.99 1.04 1.14 4.92 0.23 -0.85 -0.47 119.30 126.29 2ksh s MET 66 Ca 0.04 0.17 -0.12 0.00 -1.03 0.00 0.00 55.69 54.74 2ksh s MET 66 Cb -0.14 0.49 0.27 0.00 -1.53 0.00 0.00 34.83 33.92 2ksh s MET 66 CO 0.03 -0.33 1.04 -2.00 -2.03 0.00 0.00 175.02 171.73 2ksh s GLU 67 N -1.38 -0.77 0.09 3.16 -6.30 -1.26 -3.04 118.70 109.20 2ksh s GLU 67 Ca -0.10 0.92 -0.17 0.00 -2.50 0.00 0.00 54.97 53.11 2ksh s GLU 67 Cb -0.01 -1.56 -0.07 0.00 0.00 0.00 0.00 34.13 32.49 2ksh s GLU 67 CO 0.08 -3.65 1.50 0.22 0.02 0.00 0.00 175.26 173.43 2ksh h ASP 68 N -2.57 0.52 -0.49 -1.70 3.58 -1.91 -0.49 116.42 113.36 2ksh h ASP 68 Ca -0.60 -0.35 -0.03 0.00 0.42 0.00 0.00 57.03 56.48 2ksh h ASP 68 Cb 1.33 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 42.21 2ksh h ASP 68 CO 0.49 0.75 0.22 -0.78 -2.88 0.00 0.00 179.24 177.04 2ksh h ASP 69 N 0.29 0.69 0.06 2.28 3.58 -1.92 -2.05 116.42 119.36 2ksh h ASP 69 Ca 0.07 -0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2ksh h ASP 69 Cb 0.50 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2ksh h ASP 69 CO 0.02 0.62 -0.03 0.40 -2.88 0.00 0.00 179.24 177.37 2ksh h ILE 70 N 0.76 1.26 -0.93 2.25 5.03 -1.88 -3.06 117.51 120.93 2ksh h ILE 70 Ca 0.18 -1.32 0.17 0.00 -0.12 0.00 0.00 64.86 63.77 2ksh h ILE 70 Cb 0.14 2.09 -0.10 0.00 -3.03 0.00 0.00 36.82 35.91 2ksh h ILE 70 CO -0.02 0.32 0.53 -0.03 -0.68 0.00 0.00 178.15 178.26 2ksh h MET 71 N -0.70 0.68 -0.58 2.37 4.05 -0.98 -0.40 114.93 119.36 2ksh h MET 71 Ca -0.01 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.38 2ksh h MET 71 Cb 0.58 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.20 2ksh h MET 71 CO 0.01 0.45 0.38 0.35 0.23 0.00 0.00 176.91 178.33 2ksh h PHE 72 N 0.70 0.71 -0.23 1.39 3.57 -1.41 0.09 116.94 121.76 2ksh h PHE 72 Ca 0.52 0.02 0.03 0.00 3.53 0.00 0.00 57.97 62.07 2ksh h PHE 72 Cb 0.77 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 2ksh h PHE 72 CO -0.05 0.44 0.03 0.00 -2.23 0.00 0.00 178.31 176.50 2ksh h ALA 73 N 1.23 0.23 0.00 2.41 0.00 -0.98 0.30 119.26 122.45 2ksh h ALA 73 Ca 0.22 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2ksh h ALA 73 Cb -0.06 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2ksh h ALA 73 CO -0.06 -0.39 0.00 0.82 0.00 0.00 0.00 179.25 179.62 2ksh h ILE 74 N 0.12 0.00 0.12 0.00 2.04 -1.15 0.59 117.51 119.22 2ksh h ILE 74 Ca 0.11 -0.42 -0.33 0.00 1.00 0.00 0.00 64.86 65.22 2ksh h ILE 74 Cb 0.11 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 2ksh h ILE 74 CO -0.15 0.00 -1.74 1.23 0.00 0.00 0.00 178.15 177.49 2ksh h GLY 75 N 2.42 0.28 -3.81 5.37 0.00 0.42 -3.35 103.07 104.40 2ksh h GLY 75 Ca 0.00 -0.72 -0.44 0.00 0.00 0.00 0.00 47.33 46.16 2ksh h GLY 75 CO 0.00 0.63 0.56 -1.30 0.00 0.00 0.00 176.54 176.43 2ksh n THR 76 N -3.43 3.01 -1.79 4.70 -2.24 0.94 -4.87 114.28 110.59 2ksh n THR 76 Ca -0.23 -1.74 -0.11 0.00 -2.27 0.00 0.00 64.05 59.71 2ksh n THR 76 Cb 1.05 -0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 2ksh n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ksh n GLY 77 N -0.89 0.39 0.00 3.38 0.00 -1.09 -4.85 105.19 102.13 2ksh n GLY 77 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2ksh n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ksh n ALA 78 N -0.81 -0.14 -2.59 4.61 0.00 0.20 -4.90 120.51 116.88 2ksh n ALA 78 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.00 2ksh n ALA 78 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 2ksh n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ksh s LEU 79 N -3.64 3.16 0.12 0.00 1.43 -0.99 -4.99 118.68 113.77 2ksh s LEU 79 Ca 0.00 -0.16 -0.31 0.00 -1.03 0.00 0.00 54.13 52.64 2ksh s LEU 79 Cb 0.00 -1.81 -0.08 0.00 0.03 0.00 0.00 46.19 44.33 2ksh s LEU 79 CO 0.00 0.28 1.36 -2.16 0.23 0.00 0.00 176.35 176.06 2ksh s PRO 80 N -1.44 4.34 0.58 1.29 0.04 -1.26 -3.60 135.00 134.95 2ksh s PRO 80 Ca 0.17 2.04 0.28 0.00 0.04 0.00 0.00 61.00 63.53 2ksh s PRO 80 Cb -0.11 -3.25 1.63 0.00 0.04 0.00 0.00 34.50 32.81 2ksh s PRO 80 CO 0.08 -0.40 2.12 0.00 0.04 0.00 0.00 177.00 178.83 2ksh h ALA 81 N 6.65 1.83 0.53 8.56 0.00 -1.95 -2.26 119.26 132.62 2ksh h ALA 81 Ca -0.42 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 2ksh h ALA 81 Cb 1.21 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.02 2ksh h ALA 81 CO 0.85 -0.26 -0.25 -0.22 0.00 0.00 0.00 179.25 179.36 2ksh h LYS 82 N 0.00 -0.68 -0.21 0.00 3.11 -1.99 -2.33 116.57 114.47 2ksh h LYS 82 Ca 0.08 0.05 0.03 0.00 -2.81 0.00 0.00 60.65 58.00 2ksh h LYS 82 Cb 0.43 0.16 -0.03 0.00 -1.00 0.00 0.00 32.23 31.79 2ksh h LYS 82 CO -0.00 -0.38 0.03 0.93 -2.81 0.00 0.00 179.45 177.23 2ksh h GLU 83 N -0.98 0.11 -0.81 1.90 4.39 -1.85 -2.22 114.58 115.12 2ksh h GLU 83 Ca -0.07 -0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.79 2ksh h GLU 83 Cb 0.62 -0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.14 2ksh h GLU 83 CO 0.12 0.07 0.34 0.00 -1.16 0.00 0.00 179.01 178.39 2ksh h ALA 84 N 1.16 1.20 -0.10 3.43 0.00 -1.46 0.29 119.26 123.77 2ksh h ALA 84 Ca 0.10 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 2ksh h ALA 84 Cb 0.10 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2ksh h ALA 84 CO -0.13 -0.23 -0.20 1.98 0.00 0.00 0.00 179.25 180.67 2ksh h MET 85 N 0.46 0.17 0.00 0.00 -1.53 -0.85 -2.07 114.93 111.12 2ksh h MET 85 Ca 0.46 -0.05 -0.09 0.00 -3.44 0.00 0.00 59.70 56.59 2ksh h MET 85 Cb 0.75 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.77 2ksh h MET 85 CO -0.44 0.37 -0.41 0.00 0.14 0.00 0.00 176.91 176.58 2ksh h ALA 86 N 1.64 0.85 -0.18 0.39 0.00 0.06 -2.92 119.26 119.10 2ksh h ALA 86 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2ksh h ALA 86 Cb 0.46 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2ksh h ALA 86 CO 0.03 0.51 0.00 1.04 0.00 0.00 0.00 179.25 180.83 2ksh n GLN 87 N -3.37 1.55 -1.22 0.00 6.02 -0.25 -4.87 117.38 115.24 2ksh n GLN 87 Ca 0.01 -0.84 -0.08 0.00 -0.01 0.00 0.00 57.00 56.08 2ksh n GLN 87 Cb 0.60 -1.30 -0.03 0.00 1.02 0.00 0.00 30.24 30.53 2ksh n GLN 87 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2ksh n ASP 88 N 0.11 -5.11 -0.05 1.08 -0.08 -1.10 -4.82 116.55 106.57 2ksh n ASP 88 Ca 0.13 0.19 0.13 0.00 -1.51 0.00 0.00 54.79 53.73 2ksh n ASP 88 Cb 0.24 -3.28 0.50 0.00 2.34 0.00 0.00 41.12 40.92 2ksh n ASP 88 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2ksh n LYS 89 N -1.18 0.28 -3.65 -0.67 5.02 -0.84 -4.85 118.16 112.26 2ksh n LYS 89 Ca -0.08 -0.10 -0.15 0.00 -2.02 0.00 0.00 58.31 55.97 2ksh n LYS 89 Cb 0.45 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.88 2ksh n LYS 89 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ksh s MET 90 N -2.79 0.77 0.17 1.97 0.23 -1.21 -4.05 119.30 114.39 2ksh s MET 90 Ca 0.19 0.47 0.06 0.00 -1.03 0.00 0.00 55.69 55.38 2ksh s MET 90 Cb 0.19 0.37 -0.04 0.00 -1.53 0.00 0.00 34.83 33.81 2ksh s MET 90 CO 0.56 -0.17 -0.13 -1.83 -2.03 0.00 0.00 175.02 171.42 2ksh s GLU 91 N -0.41 1.17 -0.08 3.16 1.03 0.38 -4.37 118.70 119.58 2ksh s GLU 91 Ca -0.06 -1.46 -0.09 0.00 0.03 0.00 0.00 54.97 53.40 2ksh s GLU 91 Cb -0.03 -0.92 0.02 0.00 -0.80 0.00 0.00 34.13 32.40 2ksh s GLU 91 CO 0.04 0.15 0.24 0.08 -1.33 0.00 0.00 175.26 174.44 2ksh s VAL 92 N -2.86 0.01 0.41 1.83 1.01 -1.26 -0.74 120.40 118.79 2ksh s VAL 92 Ca 0.17 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.08 2ksh s VAL 92 Cb -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 2ksh s VAL 92 CO 0.04 -0.05 0.06 -0.67 0.00 0.00 0.00 175.10 174.48 2ksh n ASP 93 N 2.70 2.31 0.00 3.32 2.03 0.42 -4.96 116.55 122.37 2ksh n ASP 93 Ca -0.14 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.24 2ksh n ASP 93 Cb 0.58 0.58 0.00 0.00 -0.72 0.00 0.00 41.12 41.56 2ksh n ASP 93 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ksh n GLY 94 N -0.35 0.94 3.11 0.27 0.00 -1.26 -2.57 105.19 105.33 2ksh n GLY 94 Ca -0.12 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 2ksh n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ksh s GLN 95 N 0.00 2.50 0.57 1.61 -1.52 -1.24 -4.97 119.66 116.61 2ksh s GLN 95 Ca 0.00 -1.18 0.36 0.00 -1.95 0.00 0.00 55.36 52.59 2ksh s GLN 95 Cb 0.00 -2.87 1.95 0.00 -0.22 0.00 0.00 33.01 31.87 2ksh s GLN 95 CO 0.00 -0.48 2.09 0.28 -0.25 0.00 0.00 175.29 176.94 2ksh h VAL 96 N 6.47 0.00 -0.13 1.09 2.07 -1.96 -1.51 116.25 122.28 2ksh h VAL 96 Ca -0.27 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 2ksh h VAL 96 Cb 1.07 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2ksh h VAL 96 CO 0.52 0.00 -0.23 -0.08 0.02 0.00 0.00 177.57 177.80 2ksh h GLU 97 N 0.00 0.38 -0.05 1.57 4.81 -2.00 -3.11 114.58 116.18 2ksh h GLU 97 Ca 0.00 -0.24 -0.18 0.00 -0.13 0.00 0.00 59.36 58.81 2ksh h GLU 97 Cb 0.13 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2ksh h GLU 97 CO 0.00 0.83 -0.75 -0.07 -0.73 0.00 0.00 179.01 178.30 2ksh h LEU 98 N -0.03 0.37 -0.16 1.64 3.38 -1.73 -3.07 115.31 115.72 2ksh h LEU 98 Ca 0.01 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.78 2ksh h LEU 98 Cb 0.81 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 2ksh h LEU 98 CO 0.05 0.99 -0.22 0.40 0.09 0.00 0.00 178.44 179.75 2ksh h ILE 99 N 0.20 0.45 -0.02 1.22 2.04 -1.41 -0.93 117.51 119.05 2ksh h ILE 99 Ca -0.03 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 2ksh h ILE 99 Cb 1.32 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 2ksh h ILE 99 CO 0.12 0.00 -0.26 -0.26 0.00 0.00 0.00 178.15 177.75 2ksh h PHE 100 N -0.27 0.04 0.00 1.37 -1.00 -1.60 -2.01 116.94 113.47 2ksh h PHE 100 Ca 0.11 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.88 2ksh h PHE 100 Cb 0.43 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.98 2ksh h PHE 100 CO -0.34 0.30 0.00 -0.07 -1.61 0.00 0.00 178.31 176.59 2ksh h LEU 101 N 0.04 0.00 0.11 1.54 -0.00 -1.07 -1.34 115.31 114.59 2ksh h LEU 101 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.58 2ksh h LEU 101 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.13 2ksh h LEU 101 CO 0.03 0.00 -1.58 -0.07 -0.00 0.00 0.00 178.44 176.83 2ksh h LEU 102 N 0.00 0.36 -0.90 1.67 3.38 -1.09 -3.30 115.31 115.42 2ksh h LEU 102 Ca 0.00 -0.53 0.10 0.00 0.09 0.00 0.00 57.88 57.54 2ksh h LEU 102 Cb 0.04 -0.12 -0.12 0.00 0.09 0.00 0.00 40.66 40.56 2ksh h LEU 102 CO 0.00 1.45 -0.48 1.21 0.09 0.00 0.00 178.44 180.70 2ksh n GLU 103 N -3.42 -0.35 0.12 1.13 0.00 -0.50 0.44 120.64 118.05 2ksh n GLU 103 Ca -0.17 1.37 -0.01 0.00 0.00 0.00 0.00 57.16 58.34 2ksh n GLU 103 Cb 1.04 -2.02 0.23 0.00 0.00 0.00 0.00 31.44 30.69 2ksh n GLU 103 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 2ksh h PRO 104 N 0.00 0.14 -0.43 5.31 0.13 -1.73 -3.01 132.00 132.41 2ksh h PRO 104 Ca 0.19 -0.07 0.04 0.00 -0.87 0.00 0.00 66.00 65.28 2ksh h PRO 104 Cb 0.42 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.53 2ksh h PRO 104 CO -0.86 0.59 0.29 0.35 -0.23 0.00 0.00 178.00 178.13 2ksh h PHE 105 N 0.11 0.43 -0.29 1.56 3.57 -0.09 -0.88 116.94 121.35 2ksh h PHE 105 Ca 0.01 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.60 2ksh h PHE 105 Cb 0.88 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 2ksh h PHE 105 CO 0.01 0.25 0.27 0.82 -2.23 0.00 0.00 178.31 177.43 2ksh h ILE 106 N 0.45 0.55 -0.23 1.41 2.04 -1.00 0.44 117.51 121.16 2ksh h ILE 106 Ca 0.18 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.99 2ksh h ILE 106 Cb 0.15 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2ksh h ILE 106 CO -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 178.15 178.05 2ksh h ALA 107 N 1.73 1.48 0.24 1.87 0.00 -1.33 -3.07 119.26 120.18 2ksh h ALA 107 Ca 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2ksh h ALA 107 Cb 0.68 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2ksh h ALA 107 CO -0.00 0.37 -0.12 1.03 0.00 0.00 0.00 179.25 180.53 2ksh h SER 108 N 0.35 -0.27 -3.61 0.00 0.87 -1.04 -3.38 113.55 106.47 2ksh h SER 108 Ca 0.08 -0.20 -0.75 0.00 -1.23 0.00 0.00 61.79 59.68 2ksh h SER 108 Cb 0.32 0.07 -0.28 0.00 -0.44 0.00 0.00 62.40 62.07 2ksh h SER 108 CO 0.01 0.07 -0.18 -1.48 -0.53 0.00 0.00 176.83 174.73 2ksh s LEU 109 N -9.54 6.08 0.00 2.23 2.34 -1.16 -5.15 118.68 113.49 2ksh s LEU 109 Ca -0.14 -2.35 0.00 0.00 0.06 0.00 0.00 54.13 51.70 2ksh s LEU 109 Cb 0.02 -2.09 0.00 0.00 -0.56 0.00 0.00 46.19 43.57 2ksh s LEU 109 CO 0.58 -0.62 0.00 2.29 -1.06 0.00 0.00 176.35 177.54