#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 2.79 -0.02 7.83 0.01 -1.26 -5.12 113.70 117.92 2ksh s SER 2 Ca 0.00 -0.52 0.04 0.00 1.31 0.00 0.00 55.95 56.78 2ksh s SER 2 Cb 0.00 -1.26 -0.03 0.00 0.21 0.00 0.00 66.02 64.94 2ksh s SER 2 CO 0.00 -0.01 -0.14 -0.76 0.41 0.00 0.00 173.24 172.74 2ksh s LEU 3 N 1.26 2.80 0.28 2.44 1.43 -1.26 -5.02 118.68 120.61 2ksh s LEU 3 Ca 0.01 -0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 52.86 2ksh s LEU 3 Cb -0.14 -1.60 0.41 0.00 0.03 0.00 0.00 46.19 44.89 2ksh s LEU 3 CO -0.08 0.32 1.89 0.11 0.23 0.00 0.00 176.35 178.82 2ksh h LYS 4 N 5.03 0.98 -0.30 1.70 1.57 -2.00 -1.76 116.57 121.80 2ksh h LYS 4 Ca -0.47 -0.12 0.09 0.00 -1.87 0.00 0.00 60.65 58.27 2ksh h LYS 4 Cb 1.16 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 2ksh h LYS 4 CO 0.50 0.75 0.35 0.66 -0.57 0.00 0.00 179.45 181.15 2ksh h SER 5 N 0.98 0.00 -0.96 0.86 4.64 -1.96 -0.47 113.55 116.64 2ksh h SER 5 Ca 0.24 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.69 2ksh h SER 5 Cb 0.08 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.09 2ksh h SER 5 CO -0.03 0.00 0.61 -0.78 -0.87 0.00 0.00 176.83 175.76 2ksh h ASP 6 N 0.00 0.84 0.02 4.97 3.58 -1.72 -0.79 116.42 123.32 2ksh h ASP 6 Ca 0.14 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 2ksh h ASP 6 Cb 0.85 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2ksh h ASP 6 CO -0.00 0.44 -0.01 -0.33 -2.88 0.00 0.00 179.24 176.46 2ksh h GLU 7 N 0.90 -0.03 -0.17 0.28 5.08 -1.25 -0.29 114.58 119.10 2ksh h GLU 7 Ca 0.48 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.86 2ksh h GLU 7 Cb 0.55 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2ksh h GLU 7 CO -0.24 0.12 0.05 0.28 -1.00 0.00 0.00 179.01 178.22 2ksh h VAL 8 N -0.18 0.95 -0.40 3.13 2.07 -1.48 -1.05 116.25 119.30 2ksh h VAL 8 Ca -0.00 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2ksh h VAL 8 Cb 0.17 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2ksh h VAL 8 CO 0.01 0.02 0.18 -0.26 0.02 0.00 0.00 177.57 177.54 2ksh h PHE 9 N 0.13 0.55 -0.28 1.57 0.04 -1.11 -0.95 116.94 116.87 2ksh h PHE 9 Ca 0.07 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.78 2ksh h PHE 9 Cb 0.05 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 2ksh h PHE 9 CO -0.12 0.42 -0.04 0.00 -0.60 0.00 0.00 178.31 177.97 2ksh h ALA 10 N 1.64 0.39 -0.59 2.45 0.00 -0.39 -1.74 119.26 121.02 2ksh h ALA 10 Ca 0.14 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2ksh h ALA 10 Cb 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2ksh h ALA 10 CO -0.02 0.17 -0.04 0.87 0.00 0.00 0.00 179.25 180.23 2ksh h LYS 11 N 0.30 1.07 0.10 0.00 1.57 -0.82 -2.98 116.57 115.81 2ksh h LYS 11 Ca 0.08 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 2ksh h LYS 11 Cb 0.49 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2ksh h LYS 11 CO 0.02 1.06 -0.05 0.82 -0.57 0.00 0.00 179.45 180.74 2ksh h ILE 12 N 0.96 0.96 -0.53 1.86 2.04 -1.12 -2.85 117.51 118.83 2ksh h ILE 12 Ca 0.16 -0.21 0.11 0.00 1.00 0.00 0.00 64.86 65.91 2ksh h ILE 12 Cb 0.61 1.10 -0.10 0.00 -0.74 0.00 0.00 36.82 37.68 2ksh h ILE 12 CO 0.04 0.05 -0.16 0.00 0.00 0.00 0.00 178.15 178.08 2ksh h ALA 13 N 0.65 0.30 -0.70 1.87 0.00 -1.29 0.30 119.26 120.40 2ksh h ALA 13 Ca -0.01 0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.23 2ksh h ALA 13 Cb 0.19 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2ksh h ALA 13 CO 0.02 -0.47 0.47 -0.22 0.00 0.00 0.00 179.25 179.05 2ksh h LYS 14 N -0.03 0.36 0.02 0.00 3.64 -1.41 0.26 116.57 119.40 2ksh h LYS 14 Ca 0.25 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.41 2ksh h LYS 14 Cb 0.42 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2ksh h LYS 14 CO -0.56 0.24 -0.92 -0.09 -2.27 0.00 0.00 179.45 175.84 2ksh h ARG 15 N 0.37 0.15 0.00 1.90 9.65 -0.29 -3.09 114.38 123.08 2ksh h ARG 15 Ca 0.34 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 2ksh h ARG 15 Cb 0.79 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.43 2ksh h ARG 15 CO -0.10 0.97 0.00 1.28 2.80 0.00 0.00 179.97 184.92 2ksh n LEU 16 N -3.60 0.48 0.03 3.80 4.77 0.06 -1.21 117.00 121.34 2ksh n LEU 16 Ca -0.03 0.66 0.12 0.00 -0.03 0.00 0.00 56.01 56.73 2ksh n LEU 16 Cb 0.84 -0.64 0.31 0.00 -2.33 0.00 0.00 43.42 41.60 2ksh n LEU 16 CO 0.48 -0.64 0.55 -0.62 -1.33 0.00 0.00 177.39 175.83 2ksh n GLU 17 N -2.07 0.13 -0.00 3.23 1.02 -1.08 -3.65 120.64 118.22 2ksh n GLU 17 Ca 0.01 0.05 0.09 0.00 -0.02 0.00 0.00 57.16 57.30 2ksh n GLU 17 Cb 0.14 -1.60 -0.13 0.00 -0.02 0.00 0.00 31.44 29.83 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 -1.81 0.77 -4.76 1.62 7.64 -0.35 -4.99 113.62 111.75 2ksh n SER 18 Ca 0.05 -0.41 -0.39 0.00 1.01 0.00 0.00 58.87 59.12 2ksh n SER 18 Cb 0.38 1.48 0.03 0.00 -1.01 0.00 0.00 64.21 65.09 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 -1.83 3.17 -4.39 0.44 5.41 -1.08 -5.02 119.36 116.06 2ksh n ILE 19 Ca -0.00 -0.50 -0.27 0.00 1.00 0.00 0.00 62.75 62.98 2ksh n ILE 19 Cb 0.40 -1.79 -0.11 0.00 -0.71 0.00 0.00 39.64 37.43 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 -0.62 3.71 0.16 4.38 1.11 -1.26 -5.05 116.67 119.10 2ksh s ASP 20 Ca 0.65 -0.79 -0.09 0.00 0.18 0.00 0.00 52.55 52.50 2ksh s ASP 20 Cb -0.44 -0.41 0.01 0.00 1.07 0.00 0.00 42.92 43.16 2ksh s ASP 20 CO 0.55 0.11 1.50 1.55 1.18 0.00 0.00 175.17 180.05 2ksh h PRO 21 N 3.01 0.87 -0.00 8.23 0.13 -1.99 -2.90 132.00 139.35 2ksh h PRO 21 Ca -0.46 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.22 2ksh h PRO 21 Cb 1.21 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2ksh h PRO 21 CO 0.51 1.10 0.05 0.00 -0.23 0.00 0.00 178.00 179.43 2ksh h ALA 22 N 0.84 1.07 -1.35 -0.56 0.00 -2.02 -3.43 119.26 113.81 2ksh h ALA 22 Ca 0.06 -0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.50 2ksh h ALA 22 Cb 0.97 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.87 2ksh h ALA 22 CO 0.09 -0.05 0.19 -0.80 0.00 0.00 0.00 179.25 178.68 2ksh s ASN 23 N -5.07 3.87 0.22 0.00 0.01 -1.10 -4.97 114.94 107.90 2ksh s ASN 23 Ca -0.05 -0.33 0.00 0.00 -0.71 0.00 0.00 52.86 51.77 2ksh s ASN 23 Cb 0.12 0.13 0.00 0.00 0.41 0.00 0.00 41.25 41.91 2ksh s ASN 23 CO 0.39 -2.20 0.00 -2.11 -1.51 0.00 0.00 177.10 171.67 2ksh n ARG 24 N -3.13 0.00 0.02 -0.60 0.00 -1.26 -4.93 116.66 106.76 2ksh n ARG 24 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.02 2ksh n ARG 24 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 33.06 2ksh n ARG 24 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2ksh n GLN 25 N -0.22 0.00 -3.48 2.89 7.27 -1.26 -5.10 117.38 117.47 2ksh n GLN 25 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.72 2ksh n GLN 25 Cb 0.00 -0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.59 2ksh n GLN 25 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2ksh s VAL 26 N -1.13 4.99 -0.22 1.69 0.11 -1.26 -5.08 120.40 119.50 2ksh s VAL 26 Ca 0.00 0.65 -0.08 0.00 -2.93 0.00 0.00 61.98 59.62 2ksh s VAL 26 Cb 0.00 -3.69 0.10 0.00 -1.53 0.00 0.00 36.38 31.26 2ksh s VAL 26 CO 0.00 0.31 0.47 -1.61 -3.33 0.00 0.00 175.10 170.94 2ksh s GLU 27 N -1.83 0.38 0.23 1.54 0.41 -1.26 -5.11 118.70 113.07 2ksh s GLU 27 Ca 0.34 1.12 -0.04 0.00 -0.41 0.00 0.00 54.97 55.97 2ksh s GLU 27 Cb -0.15 0.43 -0.03 0.00 -1.78 0.00 0.00 34.13 32.61 2ksh s GLU 27 CO 0.18 -0.24 0.27 -1.01 -0.49 0.00 0.00 175.26 173.98 2ksh s HIS 28 N 2.61 0.94 0.39 1.61 3.76 -1.26 -5.12 115.29 118.24 2ksh s HIS 28 Ca -0.03 -1.19 -0.25 0.00 -0.15 0.00 0.00 55.06 53.44 2ksh s HIS 28 Cb -0.12 -0.30 -0.09 0.00 1.11 0.00 0.00 32.58 33.19 2ksh s HIS 28 CO -0.14 -0.80 1.15 0.08 -0.85 0.00 0.00 174.74 174.18 2ksh s VAL 29 N -3.99 3.23 0.04 -0.90 1.01 -1.26 -4.87 120.40 113.66 2ksh s VAL 29 Ca 0.33 1.03 0.05 0.00 0.00 0.00 0.00 61.98 63.39 2ksh s VAL 29 Cb 0.04 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 2ksh s VAL 29 CO 0.13 0.09 -0.15 -0.47 0.00 0.00 0.00 175.10 174.70 2ksh s TYR 30 N -1.43 1.27 -0.12 5.22 5.04 -1.25 -2.67 117.35 123.41 2ksh s TYR 30 Ca 0.56 -0.36 -0.02 0.00 -2.44 0.00 0.00 57.07 54.82 2ksh s TYR 30 Cb -0.30 -0.75 -0.03 0.00 0.35 0.00 0.00 41.96 41.23 2ksh s TYR 30 CO 0.37 0.04 -0.06 0.15 -1.34 0.00 0.00 175.55 174.72 2ksh s LYS 31 N -1.15 3.26 -0.11 4.97 1.02 -0.94 -1.50 119.74 125.28 2ksh s LYS 31 Ca 0.02 -0.54 0.03 0.00 0.02 0.00 0.00 55.97 55.50 2ksh s LYS 31 Cb -0.08 -2.76 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 2ksh s LYS 31 CO 0.01 0.42 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.58 2ksh s PHE 32 N -0.15 2.53 -0.22 3.18 0.08 0.33 0.09 117.98 123.82 2ksh s PHE 32 Ca 0.02 -1.13 -0.04 0.00 0.12 0.00 0.00 56.93 55.90 2ksh s PHE 32 Cb -0.13 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 40.60 2ksh s PHE 32 CO 0.03 -0.48 -0.02 1.03 -0.10 0.00 0.00 175.22 175.67 2ksh s ARG 33 N 0.54 3.44 -0.34 0.44 0.52 0.85 -0.04 118.95 124.35 2ksh s ARG 33 Ca -0.14 -0.59 -0.12 0.00 -0.52 0.00 0.00 55.73 54.35 2ksh s ARG 33 Cb -0.17 -3.07 -0.01 0.00 0.52 0.00 0.00 34.95 32.23 2ksh s ARG 33 CO 0.05 -0.19 0.22 0.42 0.02 0.00 0.00 175.30 175.82 2ksh s ILE 34 N 1.48 5.04 0.05 1.52 -1.09 -0.56 -1.72 121.20 125.92 2ksh s ILE 34 Ca 0.06 -0.37 0.05 0.00 -2.23 0.00 0.00 60.65 58.16 2ksh s ILE 34 Cb -0.14 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 2ksh s ILE 34 CO -0.02 -0.04 -0.09 0.42 -1.23 0.00 0.00 174.94 173.98 2ksh s THR 35 N 1.68 3.44 -0.58 2.92 -4.23 -1.13 -0.64 115.64 117.09 2ksh s THR 35 Ca 0.05 -1.01 -0.18 0.00 -1.18 0.00 0.00 61.69 59.37 2ksh s THR 35 Cb -0.18 -2.53 0.11 0.00 1.34 0.00 0.00 72.50 71.24 2ksh s THR 35 CO 0.09 0.28 0.66 -1.58 -0.54 0.00 0.00 174.62 173.54 2ksh s GLN 36 N -1.71 3.03 0.00 3.99 0.74 0.11 -1.57 119.66 124.25 2ksh s GLN 36 Ca 0.18 -1.40 0.00 0.00 0.05 0.00 0.00 55.36 54.20 2ksh s GLN 36 Cb -0.11 -4.27 0.00 0.00 1.10 0.00 0.00 33.01 29.73 2ksh s GLN 36 CO 0.10 -1.50 0.00 0.41 -0.55 0.00 0.00 175.29 173.74 2ksh n GLY 37 N 5.28 1.99 0.00 2.59 0.00 -1.26 -2.93 105.19 110.85 2ksh n GLY 37 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 3.28 -0.02 0.00 -1.26 -5.02 105.19 102.17 2ksh n GLY 38 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.27 0.21 1.61 -2.85 -1.15 -5.01 119.74 115.82 2ksh s LYS 39 Ca 0.00 -0.70 -0.31 0.00 -1.00 0.00 0.00 55.97 53.95 2ksh s LYS 39 Cb 0.00 -2.76 -0.15 0.00 -2.06 0.00 0.00 37.83 32.86 2ksh s LYS 39 CO 0.00 -0.06 1.15 1.55 0.10 0.00 0.00 175.35 178.09 2ksh n VAL 40 N 4.32 1.20 0.00 1.79 3.14 -1.26 0.05 118.33 127.57 2ksh n VAL 40 Ca -0.19 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 60.89 2ksh n VAL 40 Cb 0.51 -0.96 0.00 0.00 -1.06 0.00 0.00 33.84 32.33 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 1.21 0.00 -3.56 1.55 3.14 0.19 -4.76 118.33 116.09 2ksh n VAL 41 Ca 0.13 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.44 2ksh n VAL 41 Cb 0.27 0.05 -0.02 0.00 -1.06 0.00 0.00 33.84 33.09 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 -1.77 0.88 -0.04 1.45 2.20 -0.98 -5.06 119.74 116.42 2ksh s LYS 42 Ca 0.00 -0.37 0.03 0.00 -0.36 0.00 0.00 55.97 55.27 2ksh s LYS 42 Cb 0.00 0.38 0.01 0.00 -1.51 0.00 0.00 37.83 36.71 2ksh s LYS 42 CO 0.00 -0.39 -0.11 -0.80 -0.36 0.00 0.00 175.35 173.68 2ksh s ASN 43 N -2.58 1.59 0.05 1.43 0.02 -1.26 -1.50 114.94 112.69 2ksh s ASN 43 Ca 0.07 -0.26 0.07 0.00 -1.02 0.00 0.00 52.86 51.72 2ksh s ASN 43 Cb -0.01 -0.57 -0.03 0.00 0.02 0.00 0.00 41.25 40.66 2ksh s ASN 43 CO -0.07 0.06 -0.18 0.26 0.02 0.00 0.00 177.10 177.19 2ksh s TRP 44 N 0.39 2.55 -0.03 2.20 0.52 0.94 -3.90 118.94 121.60 2ksh s TRP 44 Ca -0.08 -0.26 0.06 0.00 0.02 0.00 0.00 56.10 55.83 2ksh s TRP 44 Cb -0.12 -1.45 -0.01 0.00 -1.15 0.00 0.00 33.47 30.74 2ksh s TRP 44 CO 0.02 0.26 -0.20 0.08 0.02 0.00 0.00 176.95 177.13 2ksh s VAL 45 N -0.94 1.62 -0.34 4.03 1.01 -0.60 -0.52 120.40 124.66 2ksh s VAL 45 Ca 0.15 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.12 2ksh s VAL 45 Cb -0.10 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 2ksh s VAL 45 CO 0.06 0.46 0.38 -0.32 0.00 0.00 0.00 175.10 175.67 2ksh s MET 46 N -0.28 3.62 -0.20 2.72 1.75 -0.56 -2.54 119.30 123.80 2ksh s MET 46 Ca 0.03 -0.34 -0.29 0.00 -1.25 0.00 0.00 55.69 53.83 2ksh s MET 46 Cb -0.10 -3.79 0.00 0.00 2.84 0.00 0.00 34.83 33.79 2ksh s MET 46 CO 0.01 -0.51 1.10 0.34 -0.65 0.00 0.00 175.02 175.31 2ksh s ASP 47 N 1.73 7.07 0.18 1.11 -1.08 -0.28 -3.88 116.67 121.52 2ksh s ASP 47 Ca 0.13 1.48 0.23 0.00 -0.52 0.00 0.00 52.55 53.86 2ksh s ASP 47 Cb -0.16 -2.54 -0.01 0.00 -1.46 0.00 0.00 42.92 38.74 2ksh s ASP 47 CO 0.12 -0.68 1.01 -0.11 0.52 0.00 0.00 175.17 176.03 2ksh n LEU 48 N 6.30 0.78 0.06 -1.34 -0.00 -1.26 -0.98 117.00 120.57 2ksh n LEU 48 Ca 0.12 0.29 -0.21 0.00 -0.00 0.00 0.00 56.01 56.22 2ksh n LEU 48 Cb 0.46 -0.06 -0.13 0.00 -0.00 0.00 0.00 43.42 43.69 2ksh n LEU 48 CO 0.53 -0.17 0.03 0.50 -0.00 0.00 0.00 177.39 178.28 2ksh h LYS 49 N 0.00 0.55 0.00 1.96 1.63 -1.96 -3.34 116.57 115.41 2ksh h LYS 49 Ca 0.00 -0.71 0.00 0.00 -0.85 0.00 0.00 60.65 59.09 2ksh h LYS 49 Cb 0.98 0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2ksh h LYS 49 CO 0.00 1.30 -1.27 -1.71 -3.45 0.00 0.00 179.45 174.33 2ksh n ASN 50 N -3.93 0.82 -2.44 4.20 5.15 -1.26 -4.99 115.26 112.80 2ksh n ASN 50 Ca -0.13 -0.53 -0.17 0.00 -0.60 0.00 0.00 54.58 53.15 2ksh n ASN 50 Cb 0.89 1.36 0.04 0.00 -0.53 0.00 0.00 39.78 41.53 2ksh n ASN 50 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2ksh n VAL 51 N -1.73 -1.72 -4.31 3.44 0.31 -0.15 -5.02 118.33 109.15 2ksh n VAL 51 Ca 0.01 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 2ksh n VAL 51 Cb 0.36 -3.01 -0.10 0.00 -0.91 0.00 0.00 33.84 30.19 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 -5.57 1.24 -0.17 5.55 2.20 -1.07 -4.61 119.74 117.31 2ksh s LYS 52 Ca 0.29 -1.54 -0.09 0.00 -0.36 0.00 0.00 55.97 54.27 2ksh s LYS 52 Cb -0.13 -0.96 -0.05 0.00 -1.51 0.00 0.00 37.83 35.19 2ksh s LYS 52 CO 0.36 0.15 0.13 -0.51 -0.36 0.00 0.00 175.35 175.12 2ksh s LEU 53 N -3.25 4.27 0.24 5.43 2.01 -1.26 -1.12 118.68 124.99 2ksh s LEU 53 Ca 0.20 0.32 -0.09 0.00 0.01 0.00 0.00 54.13 54.57 2ksh s LEU 53 Cb 0.00 -2.08 -0.01 0.00 0.01 0.00 0.00 46.19 44.11 2ksh s LEU 53 CO 0.05 0.27 0.38 0.68 1.01 0.00 0.00 176.35 178.74 2ksh s VAL 54 N -0.16 0.00 -0.48 -1.59 -7.23 -1.05 -5.00 120.40 104.89 2ksh s VAL 54 Ca 0.11 -1.58 -0.18 0.00 -1.81 0.00 0.00 61.98 58.51 2ksh s VAL 54 Cb -0.11 -2.31 0.05 0.00 0.56 0.00 0.00 36.38 34.57 2ksh s VAL 54 CO 0.00 0.00 0.54 -1.61 -0.31 0.00 0.00 175.10 173.73 2ksh s GLU 55 N -3.99 3.09 0.24 4.82 2.02 -1.26 -1.56 118.70 122.06 2ksh s GLU 55 Ca 0.27 -0.95 -0.09 0.00 0.02 0.00 0.00 54.97 54.22 2ksh s GLU 55 Cb 0.01 -4.08 -0.01 0.00 0.10 0.00 0.00 34.13 30.15 2ksh s GLU 55 CO 0.11 -1.11 0.39 0.45 0.02 0.00 0.00 175.26 175.11 2ksh s SER 56 N 2.50 0.02 0.00 -0.19 0.15 -1.25 -4.93 113.70 109.99 2ksh s SER 56 Ca 0.12 -1.08 0.05 0.00 0.70 0.00 0.00 55.95 55.75 2ksh s SER 56 Cb -0.20 0.54 0.15 0.00 -1.71 0.00 0.00 66.02 64.79 2ksh s SER 56 CO 0.11 -1.07 1.11 -0.67 1.20 0.00 0.00 173.24 173.92 2ksh n ASP 57 N -0.40 2.42 -4.39 5.45 2.03 -1.26 -4.14 116.55 116.26 2ksh n ASP 57 Ca -0.01 -1.98 -0.33 0.00 0.52 0.00 0.00 54.79 53.00 2ksh n ASP 57 Cb 0.63 -0.11 0.12 0.00 -0.72 0.00 0.00 41.12 41.04 2ksh n ASP 57 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2ksh n ASP 58 N 0.00 -2.31 -4.11 1.67 2.03 -1.26 -4.98 116.55 107.60 2ksh n ASP 58 Ca 0.06 0.32 -0.30 0.00 0.52 0.00 0.00 54.79 55.39 2ksh n ASP 58 Cb 0.33 -1.18 0.20 0.00 -0.72 0.00 0.00 41.12 39.75 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 -2.37 1.54 0.04 -1.67 0.00 -1.26 -4.97 121.76 113.06 2ksh s ALA 59 Ca 0.56 -1.00 -0.27 0.00 0.00 0.00 0.00 51.96 51.25 2ksh s ALA 59 Cb -0.21 -2.86 0.09 0.00 0.00 0.00 0.00 23.12 20.14 2ksh s ALA 59 CO 0.68 -2.86 0.77 0.00 0.00 0.00 0.00 175.76 174.36 2ksh s ALA 60 N -3.45 -1.75 0.64 0.00 0.00 -1.26 -4.87 121.76 111.07 2ksh s ALA 60 Ca 0.71 0.90 0.39 0.00 0.00 0.00 0.00 51.96 53.96 2ksh s ALA 60 Cb -0.08 0.46 2.20 0.00 0.00 0.00 0.00 23.12 25.71 2ksh s ALA 60 CO 0.54 -0.66 2.33 0.93 0.00 0.00 0.00 175.76 178.90 2ksh h GLU 61 N 2.14 0.00 -3.11 0.00 4.39 -1.89 -3.44 114.58 112.67 2ksh h GLU 61 Ca -0.27 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.41 2ksh h GLU 61 Cb 1.25 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.79 2ksh h GLU 61 CO 0.34 0.00 0.13 0.00 -1.16 0.00 0.00 179.01 178.33 2ksh s ALA 62 N -4.33 -1.36 -0.05 3.43 0.00 -1.26 -3.08 121.76 115.10 2ksh s ALA 62 Ca -0.05 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.19 2ksh s ALA 62 Cb 0.14 0.84 0.00 0.00 0.00 0.00 0.00 23.12 24.10 2ksh s ALA 62 CO 0.46 -0.77 -0.15 0.99 0.00 0.00 0.00 175.76 176.30 2ksh s THR 63 N -3.79 1.27 -0.24 0.00 2.01 -0.16 -2.23 115.64 112.51 2ksh s THR 63 Ca 0.03 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.45 2ksh s THR 63 Cb -0.01 -1.13 0.04 0.00 0.01 0.00 0.00 72.50 71.42 2ksh s THR 63 CO -0.10 0.38 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.86 2ksh s LEU 64 N 0.34 3.08 -0.17 4.42 0.20 0.11 -0.56 118.68 126.11 2ksh s LEU 64 Ca -0.09 -1.12 -0.04 0.00 0.69 0.00 0.00 54.13 53.57 2ksh s LEU 64 Cb -0.13 -1.56 -0.02 0.00 -0.43 0.00 0.00 46.19 44.05 2ksh s LEU 64 CO 0.03 -0.13 -0.04 -0.89 -0.29 0.00 0.00 176.35 175.03 2ksh s THR 65 N 1.19 3.78 -0.05 3.68 2.01 -1.07 -0.11 115.64 125.07 2ksh s THR 65 Ca -0.04 -0.39 -0.30 0.00 0.31 0.00 0.00 61.69 61.27 2ksh s THR 65 Cb -0.18 -2.67 0.07 0.00 0.01 0.00 0.00 72.50 69.73 2ksh s THR 65 CO -0.07 0.47 0.65 -0.04 -0.69 0.00 0.00 174.62 174.95 2ksh s MET 66 N 0.61 1.03 1.12 4.92 1.00 -0.70 -3.32 119.30 123.96 2ksh s MET 66 Ca -0.03 0.24 -0.13 0.00 0.00 0.00 0.00 55.69 55.78 2ksh s MET 66 Cb -0.14 0.48 0.26 0.00 0.00 0.00 0.00 34.83 35.43 2ksh s MET 66 CO 0.02 -0.32 1.05 -1.21 0.00 0.00 0.00 175.02 174.57 2ksh s GLU 67 N -1.18 -0.55 -0.01 2.03 2.02 -1.26 -2.85 118.70 116.90 2ksh s GLU 67 Ca -0.11 0.70 -0.25 0.00 0.02 0.00 0.00 54.97 55.32 2ksh s GLU 67 Cb -0.00 -1.61 -0.19 0.00 0.10 0.00 0.00 34.13 32.42 2ksh s GLU 67 CO 0.09 -3.44 1.30 0.22 0.02 0.00 0.00 175.26 173.45 2ksh h ASP 68 N -2.41 -0.03 0.42 -0.19 3.58 -1.65 0.39 116.42 116.53 2ksh h ASP 68 Ca -0.60 -0.41 -0.07 0.00 0.42 0.00 0.00 57.03 56.37 2ksh h ASP 68 Cb 1.34 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.38 2ksh h ASP 68 CO 0.53 0.40 -0.33 0.44 -2.88 0.00 0.00 179.24 177.40 2ksh h ASP 69 N -0.47 0.00 0.00 2.28 3.32 -1.93 -2.64 116.42 116.98 2ksh h ASP 69 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2ksh h ASP 69 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 2ksh h ASP 69 CO 0.01 0.33 -0.00 0.40 -1.72 0.00 0.00 179.24 178.26 2ksh h ILE 70 N 0.00 1.57 -0.66 0.35 1.08 -1.91 -3.23 117.51 114.71 2ksh h ILE 70 Ca -0.00 -2.17 0.19 0.00 -0.39 0.00 0.00 64.86 62.49 2ksh h ILE 70 Cb 0.63 2.96 -0.03 0.00 -3.07 0.00 0.00 36.82 37.32 2ksh h ILE 70 CO 0.04 0.53 0.47 -0.03 -0.69 0.00 0.00 178.15 178.48 2ksh h MET 71 N -1.00 0.03 -0.34 2.37 4.05 -0.21 -0.09 114.93 119.75 2ksh h MET 71 Ca -0.00 -0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.32 2ksh h MET 71 Cb 0.87 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.66 2ksh h MET 71 CO 0.00 0.02 -0.17 0.35 0.23 0.00 0.00 176.91 177.34 2ksh h PHE 72 N 0.03 0.82 -0.29 1.39 3.57 -1.55 0.46 116.94 121.37 2ksh h PHE 72 Ca 0.32 -0.21 0.05 0.00 3.53 0.00 0.00 57.97 61.66 2ksh h PHE 72 Cb 1.23 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.73 2ksh h PHE 72 CO -0.00 0.92 0.00 0.00 -2.23 0.00 0.00 178.31 177.01 2ksh h ALA 73 N 0.77 0.26 0.00 2.41 0.00 -1.03 0.10 119.26 121.78 2ksh h ALA 73 Ca 0.07 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 2ksh h ALA 73 Cb 0.71 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2ksh h ALA 73 CO 0.05 -0.41 -0.92 0.82 0.00 0.00 0.00 179.25 178.80 2ksh h ILE 74 N 0.09 1.59 -0.21 0.00 1.08 -1.51 0.55 117.51 119.11 2ksh h ILE 74 Ca 0.14 -3.21 -0.09 0.00 -0.39 0.00 0.00 64.86 61.30 2ksh h ILE 74 Cb 0.18 2.76 -0.01 0.00 -3.07 0.00 0.00 36.82 36.68 2ksh h ILE 74 CO -0.23 0.90 -0.28 1.23 -0.69 0.00 0.00 178.15 179.08 2ksh h GLY 75 N 3.02 0.43 -1.65 5.37 0.00 0.43 -2.68 103.07 108.00 2ksh h GLY 75 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2ksh h GLY 75 CO 0.12 0.33 0.00 -0.37 0.00 0.00 0.00 176.54 176.62 2ksh n THR 76 N -4.11 0.23 -0.59 4.70 5.66 0.31 -4.92 114.28 115.56 2ksh n THR 76 Ca -0.01 -0.53 0.00 0.00 -3.05 0.00 0.00 64.05 60.47 2ksh n THR 76 Cb 0.41 0.93 0.00 0.00 -1.55 0.00 0.00 70.33 70.13 2ksh n THR 76 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ksh n GLY 77 N 1.34 1.57 0.00 1.09 0.00 -1.01 -4.95 105.19 103.24 2ksh n GLY 77 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.40 -0.12 -2.33 4.61 0.00 0.18 -4.63 120.51 118.61 2ksh n ALA 78 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2ksh n ALA 78 Cb 0.00 0.17 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 2ksh n ALA 78 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2ksh s LEU 79 N -3.00 4.41 -0.01 0.00 0.20 -0.30 -4.96 118.68 115.01 2ksh s LEU 79 Ca 0.00 1.14 -0.30 0.00 0.69 0.00 0.00 54.13 55.66 2ksh s LEU 79 Cb 0.00 -3.11 -0.06 0.00 -0.43 0.00 0.00 46.19 42.59 2ksh s LEU 79 CO 0.00 0.17 1.45 -2.16 -0.29 0.00 0.00 176.35 175.52 2ksh s PRO 80 N -1.62 4.26 0.58 0.98 0.04 -1.26 -3.93 135.00 134.04 2ksh s PRO 80 Ca 0.34 2.02 0.27 0.00 0.04 0.00 0.00 61.00 63.67 2ksh s PRO 80 Cb -0.17 -3.63 1.62 0.00 0.04 0.00 0.00 34.50 32.36 2ksh s PRO 80 CO 0.19 -0.63 2.11 0.00 0.04 0.00 0.00 177.00 178.71 2ksh h ALA 81 N 8.09 1.85 -0.05 8.56 0.00 -1.95 -1.81 119.26 133.95 2ksh h ALA 81 Ca -0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2ksh h ALA 81 Cb 1.18 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2ksh h ALA 81 CO 0.92 -0.27 -0.00 1.57 0.00 0.00 0.00 179.25 181.46 2ksh h LYS 82 N 0.00 0.09 0.28 0.00 2.10 -2.00 -2.36 116.57 114.68 2ksh h LYS 82 Ca 0.08 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.69 2ksh h LYS 82 Cb 0.44 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 2ksh h LYS 82 CO -0.00 0.39 -0.13 0.93 -2.00 0.00 0.00 179.45 178.63 2ksh h GLU 83 N -0.22 -0.36 -1.01 0.07 4.39 -1.75 -2.15 114.58 113.55 2ksh h GLU 83 Ca 0.01 0.02 0.24 0.00 0.34 0.00 0.00 59.36 59.98 2ksh h GLU 83 Cb 0.35 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 28.97 2ksh h GLU 83 CO 0.00 -0.12 0.63 0.00 -1.16 0.00 0.00 179.01 178.36 2ksh h ALA 84 N 0.13 1.94 -0.38 3.43 0.00 -1.48 0.42 119.26 123.32 2ksh h ALA 84 Ca -0.04 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2ksh h ALA 84 Cb 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2ksh h ALA 84 CO 0.06 -0.36 -0.33 1.98 0.00 0.00 0.00 179.25 180.61 2ksh h MET 85 N 0.55 0.85 0.00 0.00 4.05 -1.20 -1.89 114.93 117.29 2ksh h MET 85 Ca 0.60 -0.41 0.00 0.00 -0.28 0.00 0.00 59.70 59.62 2ksh h MET 85 Cb 1.25 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.04 2ksh h MET 85 CO -0.37 1.05 0.00 0.00 0.23 0.00 0.00 176.91 177.81 2ksh h ALA 86 N 0.92 1.00 -0.25 0.39 0.00 0.05 -2.98 119.26 118.38 2ksh h ALA 86 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2ksh h ALA 86 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2ksh h ALA 86 CO 0.08 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.37 2ksh n GLN 87 N -2.95 1.68 -1.62 0.00 1.13 0.11 -4.88 117.38 110.86 2ksh n GLN 87 Ca 0.03 -1.05 -0.20 0.00 -1.94 0.00 0.00 57.00 53.85 2ksh n GLN 87 Cb 0.45 -1.29 -0.08 0.00 0.11 0.00 0.00 30.24 29.44 2ksh n GLN 87 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2ksh n ASP 88 N 0.32 -5.24 -0.67 1.08 8.00 -1.13 -4.81 116.55 114.12 2ksh n ASP 88 Ca 0.12 0.46 0.13 0.00 0.71 0.00 0.00 54.79 56.21 2ksh n ASP 88 Cb 0.27 -4.63 0.37 0.00 -0.02 0.00 0.00 41.12 37.11 2ksh n ASP 88 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2ksh n LYS 89 N -2.35 1.91 -3.58 -1.24 5.02 -0.73 -4.90 118.16 112.29 2ksh n LYS 89 Ca -0.20 -1.33 -0.16 0.00 -2.02 0.00 0.00 58.31 54.60 2ksh n LYS 89 Cb 0.65 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 34.13 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 -1.95 0.93 0.17 1.97 0.23 -1.18 -4.71 119.30 114.77 2ksh s MET 90 Ca 0.34 0.66 0.02 0.00 -1.03 0.00 0.00 55.69 55.69 2ksh s MET 90 Cb 0.20 0.45 -0.05 0.00 -1.53 0.00 0.00 34.83 33.91 2ksh s MET 90 CO 0.32 -0.20 -0.00 -1.21 -2.03 0.00 0.00 175.02 171.89 2ksh s GLU 91 N -0.33 1.11 -0.03 3.16 2.02 -1.21 -4.57 118.70 118.86 2ksh s GLU 91 Ca -0.05 -1.53 -0.08 0.00 0.02 0.00 0.00 54.97 53.32 2ksh s GLU 91 Cb -0.03 -0.28 0.01 0.00 0.10 0.00 0.00 34.13 33.93 2ksh s GLU 91 CO 0.05 -0.12 0.19 0.14 0.02 0.00 0.00 175.26 175.54 2ksh s VAL 92 N -3.64 0.05 0.38 2.63 -7.23 -1.26 -2.61 120.40 108.71 2ksh s VAL 92 Ca 0.24 -0.43 0.07 0.00 -1.81 0.00 0.00 61.98 60.05 2ksh s VAL 92 Cb 0.06 -0.42 -0.07 0.00 0.56 0.00 0.00 36.38 36.51 2ksh s VAL 92 CO 0.04 -0.23 0.00 -0.62 -0.31 0.00 0.00 175.10 173.98 2ksh s ASP 93 N -0.88 3.48 0.00 4.85 2.15 0.27 -4.93 116.67 121.61 2ksh s ASP 93 Ca -0.10 -1.34 0.00 0.00 0.43 0.00 0.00 52.55 51.55 2ksh s ASP 93 Cb -0.05 -0.31 0.00 0.00 -0.30 0.00 0.00 42.92 42.26 2ksh s ASP 93 CO 0.02 -0.44 0.00 0.61 -0.17 0.00 0.00 175.17 175.18 2ksh n GLY 94 N -0.86 0.88 3.25 2.66 0.00 -1.26 -0.99 105.19 108.87 2ksh n GLY 94 Ca -0.04 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 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 2.86 0.23 1.61 -1.52 -1.18 -5.00 119.66 116.67 2ksh s GLN 95 Ca 0.00 -0.98 -0.11 0.00 -1.95 0.00 0.00 55.36 52.32 2ksh s GLN 95 Cb 0.00 -3.17 0.31 0.00 -0.22 0.00 0.00 33.01 29.93 2ksh s GLN 95 CO 0.00 -0.46 1.61 0.28 -0.25 0.00 0.00 175.29 176.48 2ksh h VAL 96 N 6.08 0.29 0.65 1.09 2.07 -1.94 0.61 116.25 125.10 2ksh h VAL 96 Ca -0.30 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2ksh h VAL 96 Cb 1.11 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2ksh h VAL 96 CO 0.58 0.00 -0.36 -0.33 0.02 0.00 0.00 177.57 177.48 2ksh h GLU 97 N 0.01 -0.91 -0.89 1.57 3.07 -1.99 -1.34 114.58 114.11 2ksh h GLU 97 Ca 0.35 0.06 0.25 0.00 -0.50 0.00 0.00 59.36 59.52 2ksh h GLU 97 Cb 0.56 0.21 -0.04 0.00 -0.84 0.00 0.00 28.75 28.63 2ksh h GLU 97 CO -0.73 -0.61 0.63 -0.07 -1.40 0.00 0.00 179.01 176.84 2ksh h LEU 98 N -0.94 0.09 0.08 1.33 -0.00 -1.70 0.41 115.31 114.57 2ksh h LEU 98 Ca -0.08 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2ksh h LEU 98 Cb 0.75 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.41 2ksh h LEU 98 CO 0.11 0.03 -0.04 0.40 -0.00 0.00 0.00 178.44 178.94 2ksh h ILE 99 N 0.08 1.20 0.00 1.22 2.04 -0.28 -3.18 117.51 118.60 2ksh h ILE 99 Ca 0.44 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 2ksh h ILE 99 Cb 1.60 1.94 -0.00 0.00 -0.74 0.00 0.00 36.82 39.62 2ksh h ILE 99 CO -0.05 0.28 -0.09 -0.26 0.00 0.00 0.00 178.15 178.03 2ksh h PHE 100 N -0.66 0.00 0.00 1.37 0.04 -0.08 -2.72 116.94 114.90 2ksh h PHE 100 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2ksh h PHE 100 Cb 0.54 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.69 2ksh h PHE 100 CO 0.10 0.09 0.03 -0.07 -0.60 0.00 0.00 178.31 177.86 2ksh h LEU 101 N 0.00 0.00 0.00 1.54 3.38 -0.22 -0.50 115.31 119.51 2ksh h LEU 101 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 2ksh h LEU 101 Cb 0.55 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 2ksh h LEU 101 CO 0.01 0.00 -1.93 0.18 0.09 0.00 0.00 178.44 176.79 2ksh n LEU 102 N -2.84 0.45 -0.38 1.67 4.77 -1.03 -4.18 117.00 115.47 2ksh n LEU 102 Ca -0.02 0.21 -0.05 0.00 -0.03 0.00 0.00 56.01 56.11 2ksh n LEU 102 Cb 0.09 0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.42 2ksh n LEU 102 CO 0.17 0.34 0.51 1.21 -1.33 0.00 0.00 177.39 178.28 2ksh n GLU 103 N -2.82 -0.31 0.11 3.23 4.07 -0.20 0.41 120.64 125.13 2ksh n GLU 103 Ca -0.20 1.44 -0.02 0.00 -0.06 0.00 0.00 57.16 58.32 2ksh n GLU 103 Cb 1.00 -2.13 0.21 0.00 -0.06 0.00 0.00 31.44 30.46 2ksh n GLU 103 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 2ksh h PRO 104 N 0.00 0.18 -0.03 5.31 0.13 -1.78 -2.88 132.00 132.94 2ksh h PRO 104 Ca 0.25 -0.09 0.01 0.00 -0.87 0.00 0.00 66.00 65.30 2ksh h PRO 104 Cb 0.49 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 2ksh h PRO 104 CO -0.92 0.62 0.07 0.74 -0.23 0.00 0.00 178.00 178.28 2ksh h PHE 105 N 0.15 0.00 0.00 1.56 -1.00 -0.21 -0.67 116.94 116.76 2ksh h PHE 105 Ca 0.01 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 2ksh h PHE 105 Cb 0.89 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.45 2ksh h PHE 105 CO 0.01 0.00 -0.05 0.82 -1.61 0.00 0.00 178.31 177.48 2ksh h ILE 106 N 0.00 0.72 -0.27 -0.55 2.04 -1.10 -1.64 117.51 116.71 2ksh h ILE 106 Ca 0.02 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.64 2ksh h ILE 106 Cb 0.15 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2ksh h ILE 106 CO -0.00 0.05 -0.06 0.00 0.00 0.00 0.00 178.15 178.13 2ksh h ALA 107 N 1.95 1.39 -0.18 1.87 0.00 -1.32 -2.92 119.26 120.07 2ksh h ALA 107 Ca -0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2ksh h ALA 107 Cb 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2ksh h ALA 107 CO 0.01 0.42 -0.34 1.03 0.00 0.00 0.00 179.25 180.37 2ksh h SER 108 N 0.40 0.60 -0.87 0.00 0.87 -1.46 -3.40 113.55 109.70 2ksh h SER 108 Ca 0.08 -0.55 -0.20 0.00 -1.23 0.00 0.00 61.79 59.90 2ksh h SER 108 Cb 0.37 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2ksh h SER 108 CO 0.02 1.04 0.67 -0.22 -0.53 0.00 0.00 176.83 177.80 2ksh s LEU 109 N -8.84 3.08 0.00 2.23 1.98 -1.10 -5.16 118.68 110.87 2ksh s LEU 109 Ca -0.13 0.36 0.00 0.00 -2.89 0.00 0.00 54.13 51.47 2ksh s LEU 109 Cb 0.06 -2.53 0.00 0.00 0.66 0.00 0.00 46.19 44.38 2ksh s LEU 109 CO 0.81 -3.42 0.00 1.17 -1.89 0.00 0.00 176.35 173.02