#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 2.16 -0.18 7.83 0.01 -1.26 -5.14 113.70 117.12 2ksh s SER 2 Ca 0.00 -0.53 -0.04 0.00 1.31 0.00 0.00 55.95 56.68 2ksh s SER 2 Cb 0.00 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 66.06 2ksh s SER 2 CO 0.00 0.08 -0.02 -0.76 0.41 0.00 0.00 173.24 172.95 2ksh s LEU 3 N -1.32 3.22 0.53 2.44 1.43 -1.26 -4.98 118.68 118.73 2ksh s LEU 3 Ca 0.05 -0.19 0.26 0.00 -1.03 0.00 0.00 54.13 53.22 2ksh s LEU 3 Cb -0.09 -1.80 1.39 0.00 0.03 0.00 0.00 46.19 45.73 2ksh s LEU 3 CO 0.02 0.10 1.97 0.11 0.23 0.00 0.00 176.35 178.78 2ksh h LYS 4 N 7.21 0.03 -0.05 1.70 1.79 -2.01 0.22 116.57 125.46 2ksh h LYS 4 Ca -0.34 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.14 2ksh h LYS 4 Cb 1.18 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2ksh h LYS 4 CO 0.61 0.02 0.07 0.66 -1.08 0.00 0.00 179.45 179.74 2ksh h SER 5 N 0.03 0.00 -0.82 0.86 4.64 -1.94 -1.62 113.55 114.70 2ksh h SER 5 Ca 0.30 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.76 2ksh h SER 5 Cb 1.16 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.19 2ksh h SER 5 CO -0.01 0.00 0.54 0.44 -0.87 0.00 0.00 176.83 176.92 2ksh h ASP 6 N 0.00 0.51 0.06 4.97 3.32 -0.97 -1.85 116.42 122.45 2ksh h ASP 6 Ca 0.02 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 2ksh h ASP 6 Cb 0.17 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2ksh h ASP 6 CO -0.00 0.26 -0.03 -0.08 -1.72 0.00 0.00 179.24 177.68 2ksh h GLU 7 N 0.54 -0.07 -0.54 3.56 4.22 -1.47 -2.56 114.58 118.26 2ksh h GLU 7 Ca 0.40 0.00 0.11 0.00 0.08 0.00 0.00 59.36 59.96 2ksh h GLU 7 Cb 0.78 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.95 2ksh h GLU 7 CO -0.16 0.20 -0.15 0.28 -2.18 0.00 0.00 179.01 177.01 2ksh h VAL 8 N -0.35 0.44 -0.49 0.32 2.07 -1.47 0.20 116.25 116.97 2ksh h VAL 8 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 2ksh h VAL 8 Cb 0.31 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2ksh h VAL 8 CO 0.01 0.00 0.32 -0.26 0.02 0.00 0.00 177.57 177.66 2ksh h PHE 9 N -0.01 0.60 -0.28 1.57 0.04 -1.45 0.13 116.94 117.53 2ksh h PHE 9 Ca 0.26 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.99 2ksh h PHE 9 Cb 0.41 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 2ksh h PHE 9 CO -0.46 0.38 -0.04 0.00 -0.60 0.00 0.00 178.31 177.59 2ksh h ALA 10 N 1.70 0.39 -0.14 2.45 0.00 -0.26 -0.85 119.26 122.56 2ksh h ALA 10 Ca 0.18 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2ksh h ALA 10 Cb -0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2ksh h ALA 10 CO -0.04 0.17 -0.16 0.87 0.00 0.00 0.00 179.25 180.09 2ksh h LYS 11 N 0.29 0.34 -1.00 0.00 1.79 -0.59 -2.79 116.57 114.63 2ksh h LYS 11 Ca 0.08 -0.19 0.02 0.00 -2.18 0.00 0.00 60.65 58.37 2ksh h LYS 11 Cb 0.49 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.10 2ksh h LYS 11 CO 0.02 0.75 0.66 0.82 -1.08 0.00 0.00 179.45 180.62 2ksh h ILE 12 N -0.04 1.23 -0.62 1.86 2.04 -0.78 -2.39 117.51 118.82 2ksh h ILE 12 Ca 0.02 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 2ksh h ILE 12 Cb 0.70 -0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 2ksh h ILE 12 CO 0.04 0.24 0.33 0.00 0.00 0.00 0.00 178.15 178.76 2ksh h ALA 13 N 1.39 0.80 -0.73 1.87 0.00 -1.13 -2.36 119.26 119.09 2ksh h ALA 13 Ca 0.37 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.25 2ksh h ALA 13 Cb -0.11 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.38 2ksh h ALA 13 CO -0.09 0.32 0.48 0.87 0.00 0.00 0.00 179.25 180.83 2ksh h LYS 14 N 0.84 0.69 0.00 0.00 1.79 -1.15 0.21 116.57 118.95 2ksh h LYS 14 Ca 0.22 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.57 2ksh h LYS 14 Cb 0.06 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 2ksh h LYS 14 CO -0.03 0.45 -0.34 0.00 -1.08 0.00 0.00 179.45 178.45 2ksh h ARG 15 N 0.71 0.00 0.00 3.15 2.47 -1.21 -2.59 114.38 116.90 2ksh h ARG 15 Ca 0.33 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.04 2ksh h ARG 15 Cb 0.35 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.67 2ksh h ARG 15 CO -0.11 0.34 -0.05 -0.07 0.56 0.00 0.00 179.97 180.64 2ksh h LEU 16 N 0.00 0.00 0.00 3.04 3.38 -0.70 -0.69 115.31 120.34 2ksh h LEU 16 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ksh h LEU 16 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2ksh h LEU 16 CO 0.04 0.05 -0.01 -0.62 0.09 0.00 0.00 178.44 177.99 2ksh n GLU 17 N -3.36 0.16 0.05 1.13 1.02 -0.98 -3.10 120.64 115.56 2ksh n GLU 17 Ca -0.02 0.13 0.11 0.00 -0.02 0.00 0.00 57.16 57.36 2ksh n GLU 17 Cb 0.19 -1.68 0.02 0.00 -0.02 0.00 0.00 31.44 29.95 2ksh n GLU 17 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2ksh n SER 18 N -1.95 0.64 -4.74 1.62 2.88 -0.27 -4.94 113.62 106.85 2ksh n SER 18 Ca 0.06 0.05 -0.39 0.00 -1.33 0.00 0.00 58.87 57.25 2ksh n SER 18 Cb 0.39 0.71 0.03 0.00 -0.75 0.00 0.00 64.21 64.59 2ksh n SER 18 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2ksh n ILE 19 N -2.26 3.23 -4.41 2.46 5.41 -1.18 -5.02 119.36 117.59 2ksh n ILE 19 Ca 0.01 -0.50 -0.27 0.00 1.00 0.00 0.00 62.75 62.99 2ksh n ILE 19 Cb 0.49 -1.70 -0.12 0.00 -0.71 0.00 0.00 39.64 37.60 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 -0.69 3.35 0.55 4.38 1.11 -1.26 -5.03 116.67 119.08 2ksh s ASP 20 Ca 0.66 -0.84 0.34 0.00 0.18 0.00 0.00 52.55 52.88 2ksh s ASP 20 Cb -0.44 -0.24 1.40 0.00 1.07 0.00 0.00 42.92 44.71 2ksh s ASP 20 CO 0.54 0.12 2.00 1.55 1.18 0.00 0.00 175.17 180.56 2ksh h PRO 21 N 3.33 0.00 -0.12 8.23 0.13 -2.02 -3.16 132.00 138.40 2ksh h PRO 21 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2ksh h PRO 21 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2ksh h PRO 21 CO 0.46 0.01 0.06 0.00 -0.23 0.00 0.00 178.00 178.31 2ksh h ALA 22 N 1.99 0.15 -3.05 -0.56 0.00 -2.02 -3.40 119.26 112.37 2ksh h ALA 22 Ca -0.00 -0.05 -0.67 0.00 0.00 0.00 0.00 54.91 54.19 2ksh h ALA 22 Cb 0.49 -0.05 -0.27 0.00 0.00 0.00 0.00 17.79 17.97 2ksh h ALA 22 CO 0.00 -0.32 -0.65 1.21 0.00 0.00 0.00 179.25 179.49 2ksh s ASN 23 N -5.40 4.91 -0.47 0.00 3.84 -1.19 -5.01 114.94 111.62 2ksh s ASN 23 Ca -0.13 -0.66 0.07 0.00 0.21 0.00 0.00 52.86 52.35 2ksh s ASN 23 Cb 0.07 -1.84 0.18 0.00 -0.55 0.00 0.00 41.25 39.12 2ksh s ASN 23 CO 0.68 -0.15 0.65 -0.13 -2.79 0.00 0.00 177.10 175.37 2ksh s ARG 24 N 1.48 0.97 0.14 0.43 0.52 -1.26 -4.57 118.95 116.66 2ksh s ARG 24 Ca 0.03 -0.90 -0.23 0.00 -0.52 0.00 0.00 55.73 54.11 2ksh s ARG 24 Cb -0.17 -0.14 0.01 0.00 0.52 0.00 0.00 34.95 35.17 2ksh s ARG 24 CO 0.01 -1.29 1.64 1.96 0.02 0.00 0.00 175.30 177.64 2ksh h GLN 25 N 5.73 -0.25 -1.59 3.54 7.50 -1.98 -3.44 115.11 124.61 2ksh h GLN 25 Ca 0.07 0.02 0.07 0.00 0.50 0.00 0.00 58.65 59.30 2ksh h GLN 25 Cb 1.11 0.06 -0.26 0.00 0.05 0.00 0.00 27.48 28.44 2ksh h GLN 25 CO 0.07 -0.17 0.45 0.54 -1.50 0.00 0.00 178.83 178.22 2ksh s VAL 26 N -6.09 0.00 -0.08 -0.54 0.11 -1.26 -5.16 120.40 107.38 2ksh s VAL 26 Ca -0.15 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 58.89 2ksh s VAL 26 Cb 0.11 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.99 2ksh s VAL 26 CO 0.68 0.00 -0.02 -1.61 -3.33 0.00 0.00 175.10 170.82 2ksh s GLU 27 N 0.36 0.79 0.25 1.54 0.41 -1.26 -5.12 118.70 115.67 2ksh s GLU 27 Ca 0.02 0.03 0.01 0.00 -0.41 0.00 0.00 54.97 54.61 2ksh s GLU 27 Cb -0.05 -1.07 -0.04 0.00 -1.78 0.00 0.00 34.13 31.19 2ksh s GLU 27 CO -0.07 -0.28 0.15 -1.01 -0.49 0.00 0.00 175.26 173.55 2ksh s HIS 28 N 1.83 1.39 0.31 1.61 3.76 -1.26 -5.06 115.29 117.88 2ksh s HIS 28 Ca 0.04 -1.37 -0.28 0.00 -0.15 0.00 0.00 55.06 53.29 2ksh s HIS 28 Cb -0.12 -0.70 -0.09 0.00 1.11 0.00 0.00 32.58 32.77 2ksh s HIS 28 CO -0.05 -0.59 1.08 0.54 -0.85 0.00 0.00 174.74 174.87 2ksh s VAL 29 N -3.89 3.56 -0.03 -0.90 0.11 -1.26 -4.85 120.40 113.13 2ksh s VAL 29 Ca 0.38 1.46 -0.01 0.00 -2.93 0.00 0.00 61.98 60.89 2ksh s VAL 29 Cb 0.06 -3.89 0.03 0.00 -1.53 0.00 0.00 36.38 31.05 2ksh s VAL 29 CO 0.15 0.27 0.03 -0.31 -3.33 0.00 0.00 175.10 171.91 2ksh s TYR 30 N -1.30 0.14 -0.11 1.54 2.02 -1.24 -3.57 117.35 114.84 2ksh s TYR 30 Ca 0.48 0.13 -0.04 0.00 -0.37 0.00 0.00 57.07 57.27 2ksh s TYR 30 Cb -0.29 -0.40 -0.04 0.00 -0.40 0.00 0.00 41.96 40.83 2ksh s TYR 30 CO 0.37 -0.15 0.06 0.15 -1.57 0.00 0.00 175.55 174.41 2ksh s LYS 31 N 1.52 3.25 -0.09 -0.62 1.02 -0.48 -1.60 119.74 122.74 2ksh s LYS 31 Ca -0.03 -0.29 0.03 0.00 0.02 0.00 0.00 55.97 55.70 2ksh s LYS 31 Cb -0.13 -2.98 -0.01 0.00 -0.52 0.00 0.00 37.83 34.19 2ksh s LYS 31 CO -0.03 0.69 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.83 2ksh s PHE 32 N -0.82 2.61 -0.29 3.18 0.08 -0.51 0.13 117.98 122.35 2ksh s PHE 32 Ca 0.13 -0.79 -0.06 0.00 0.12 0.00 0.00 56.93 56.33 2ksh s PHE 32 Cb -0.12 -1.71 0.02 0.00 -0.57 0.00 0.00 43.02 40.64 2ksh s PHE 32 CO 0.03 -0.27 0.05 1.03 -0.10 0.00 0.00 175.22 175.96 2ksh s ARG 33 N 0.13 2.96 -0.36 0.44 0.52 0.86 -0.39 118.95 123.12 2ksh s ARG 33 Ca -0.11 -0.94 -0.20 0.00 -0.52 0.00 0.00 55.73 53.97 2ksh s ARG 33 Cb -0.16 -3.30 0.00 0.00 0.52 0.00 0.00 34.95 32.01 2ksh s ARG 33 CO 0.06 -0.47 0.61 0.42 0.02 0.00 0.00 175.30 175.94 2ksh s ILE 34 N 1.44 4.92 0.01 1.52 -1.09 0.00 -2.35 121.20 125.65 2ksh s ILE 34 Ca 0.01 0.51 0.03 0.00 -2.23 0.00 0.00 60.65 58.97 2ksh s ILE 34 Cb -0.17 -4.05 -0.03 0.00 -1.58 0.00 0.00 42.46 36.62 2ksh s ILE 34 CO 0.01 -0.30 -0.06 0.42 -1.23 0.00 0.00 174.94 173.78 2ksh s THR 35 N 2.64 3.71 -0.53 2.92 -4.23 -1.22 -0.01 115.64 118.92 2ksh s THR 35 Ca 0.23 -0.77 -0.16 0.00 -1.18 0.00 0.00 61.69 59.81 2ksh s THR 35 Cb -0.15 -2.63 0.13 0.00 1.34 0.00 0.00 72.50 71.19 2ksh s THR 35 CO 0.15 0.38 0.49 -1.58 -0.54 0.00 0.00 174.62 173.51 2ksh s GLN 36 N -1.48 2.99 0.00 3.99 -0.44 0.17 -2.78 119.66 122.11 2ksh s GLN 36 Ca 0.18 -1.68 0.00 0.00 -2.50 0.00 0.00 55.36 51.36 2ksh s GLN 36 Cb -0.11 -4.29 0.00 0.00 -1.64 0.00 0.00 33.01 26.97 2ksh s GLN 36 CO 0.08 -1.30 0.00 0.41 0.50 0.00 0.00 175.29 174.98 2ksh n GLY 37 N 5.25 2.14 0.00 2.59 0.00 -1.26 -3.30 105.19 110.61 2ksh n GLY 37 Ca -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 3.09 -0.02 0.00 -1.26 -5.01 105.19 101.99 2ksh n GLY 38 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2ksh n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ksh s LYS 39 N 0.00 1.93 0.27 1.61 2.20 -1.21 -5.04 119.74 119.49 2ksh s LYS 39 Ca 0.00 -0.55 -0.30 0.00 -0.36 0.00 0.00 55.97 54.76 2ksh s LYS 39 Cb 0.00 -1.58 -0.13 0.00 -1.51 0.00 0.00 37.83 34.61 2ksh s LYS 39 CO 0.00 0.12 1.39 0.28 -0.36 0.00 0.00 175.35 176.78 2ksh n VAL 40 N 3.55 1.20 -0.48 4.02 0.31 -1.26 0.45 118.33 126.11 2ksh n VAL 40 Ca -0.21 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 2ksh n VAL 40 Cb 0.52 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 2ksh n VAL 40 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2ksh n VAL 41 N 1.56 0.00 -3.62 2.52 0.24 0.99 -4.78 118.33 115.23 2ksh n VAL 41 Ca 0.10 -0.17 -0.03 0.00 -2.04 0.00 0.00 64.34 62.20 2ksh n VAL 41 Cb 0.33 1.48 -0.02 0.00 -1.47 0.00 0.00 33.84 34.15 2ksh n VAL 41 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2ksh s LYS 42 N -0.09 0.15 -0.06 7.34 2.20 -0.95 -5.01 119.74 123.31 2ksh s LYS 42 Ca 0.00 -0.06 -0.02 0.00 -0.36 0.00 0.00 55.97 55.53 2ksh s LYS 42 Cb 0.00 0.07 0.04 0.00 -1.51 0.00 0.00 37.83 36.42 2ksh s LYS 42 CO 0.00 -0.06 0.12 -0.80 -0.36 0.00 0.00 175.35 174.25 2ksh s ASN 43 N -2.16 0.24 0.14 1.43 0.01 -1.26 -0.82 114.94 112.52 2ksh s ASN 43 Ca 0.11 0.25 0.05 0.00 -0.71 0.00 0.00 52.86 52.56 2ksh s ASN 43 Cb -0.00 0.14 -0.04 0.00 0.41 0.00 0.00 41.25 41.76 2ksh s ASN 43 CO -0.03 -0.18 0.10 0.26 -1.51 0.00 0.00 177.10 175.74 2ksh s TRP 44 N 1.52 3.11 0.04 2.20 0.52 0.48 -4.27 118.94 122.54 2ksh s TRP 44 Ca -0.05 -0.01 0.07 0.00 0.02 0.00 0.00 56.10 56.13 2ksh s TRP 44 Cb -0.12 -1.52 -0.03 0.00 -1.15 0.00 0.00 33.47 30.65 2ksh s TRP 44 CO -0.05 0.52 -0.19 0.54 0.02 0.00 0.00 176.95 177.79 2ksh s VAL 45 N -1.65 2.73 -0.26 4.03 0.11 -0.96 -1.42 120.40 122.99 2ksh s VAL 45 Ca 0.30 -1.20 -0.03 0.00 -2.93 0.00 0.00 61.98 58.11 2ksh s VAL 45 Cb -0.10 -2.14 0.02 0.00 -1.53 0.00 0.00 36.38 32.62 2ksh s VAL 45 CO 0.22 0.34 -0.02 -0.32 -3.33 0.00 0.00 175.10 171.99 2ksh s MET 46 N -1.42 2.97 0.00 1.54 1.75 -0.63 -2.94 119.30 120.57 2ksh s MET 46 Ca 0.14 -0.90 0.00 0.00 -1.25 0.00 0.00 55.69 53.68 2ksh s MET 46 Cb -0.10 -3.10 0.00 0.00 2.84 0.00 0.00 34.83 34.47 2ksh s MET 46 CO 0.05 -0.39 0.00 -3.47 -0.65 0.00 0.00 175.02 170.56 2ksh n ASP 47 N 4.74 -1.34 0.11 1.11 -0.08 -0.34 -3.69 116.55 117.07 2ksh n ASP 47 Ca -0.16 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.12 2ksh n ASP 47 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 2ksh n ASP 47 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2ksh n LEU 48 N 0.00 -1.58 0.18 -2.67 0.00 -1.26 -4.60 117.00 107.08 2ksh n LEU 48 Ca 0.00 0.42 0.05 0.00 0.00 0.00 0.00 56.01 56.48 2ksh n LEU 48 Cb 0.00 1.66 0.33 0.00 0.00 0.00 0.00 43.42 45.41 2ksh n LEU 48 CO 0.00 -0.26 0.67 0.11 0.00 0.00 0.00 177.39 177.91 2ksh h LYS 49 N 0.00 0.00 0.00 1.96 1.57 -1.97 -3.20 116.57 114.93 2ksh h LYS 49 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2ksh h LYS 49 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2ksh h LYS 49 CO 0.00 0.39 -1.93 -1.71 -0.57 0.00 0.00 179.45 175.64 2ksh n ASN 50 N -3.59 0.99 -2.70 0.86 2.85 -1.26 -5.02 115.26 107.39 2ksh n ASN 50 Ca -0.00 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.31 2ksh n ASN 50 Cb 0.51 1.44 0.06 0.00 1.24 0.00 0.00 39.78 43.03 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 -2.31 -2.74 -4.72 3.44 0.31 -1.21 -5.03 118.33 106.08 2ksh n VAL 51 Ca -0.12 -0.10 -0.32 0.00 -0.01 0.00 0.00 64.34 63.79 2ksh n VAL 51 Cb 0.69 -3.56 -0.08 0.00 -0.91 0.00 0.00 33.84 29.97 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 -5.65 2.13 -0.06 5.55 2.47 -1.26 -4.82 119.74 118.10 2ksh s LYS 52 Ca 0.30 -2.33 0.01 0.00 -1.56 0.00 0.00 55.97 52.38 2ksh s LYS 52 Cb -0.13 -1.46 0.02 0.00 -1.46 0.00 0.00 37.83 34.80 2ksh s LYS 52 CO 0.52 -0.32 -0.08 -1.17 0.16 0.00 0.00 175.35 174.46 2ksh s LEU 53 N -3.82 1.40 0.16 5.43 2.96 -1.26 -1.20 118.68 122.34 2ksh s LEU 53 Ca 0.12 -0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 53.73 2ksh s LEU 53 Cb 0.03 -0.65 -0.01 0.00 0.50 0.00 0.00 46.19 46.07 2ksh s LEU 53 CO 0.06 -0.03 0.27 -0.69 -1.32 0.00 0.00 176.35 174.64 2ksh s VAL 54 N 0.96 0.07 -0.65 1.68 1.01 -1.15 -5.03 120.40 117.30 2ksh s VAL 54 Ca -0.10 -1.36 -0.26 0.00 0.00 0.00 0.00 61.98 60.26 2ksh s VAL 54 Cb -0.15 -1.78 0.04 0.00 0.00 0.00 0.00 36.38 34.49 2ksh s VAL 54 CO 0.00 -0.34 1.15 -1.83 0.00 0.00 0.00 175.10 174.09 2ksh s GLU 55 N -3.96 3.30 0.28 2.72 -1.05 -1.26 -2.26 118.70 116.48 2ksh s GLU 55 Ca 0.16 -0.18 -0.14 0.00 -0.15 0.00 0.00 54.97 54.66 2ksh s GLU 55 Cb 0.03 -4.11 0.01 0.00 -0.44 0.00 0.00 34.13 29.62 2ksh s GLU 55 CO -0.01 -1.84 0.57 0.45 0.95 0.00 0.00 175.26 175.37 2ksh s SER 56 N 3.33 -0.05 -0.11 0.83 0.15 -1.26 -4.94 113.70 111.65 2ksh s SER 56 Ca 0.35 -0.91 0.16 0.00 0.70 0.00 0.00 55.95 56.25 2ksh s SER 56 Cb -0.10 0.65 0.24 0.00 -1.71 0.00 0.00 66.02 65.11 2ksh s SER 56 CO 0.18 -1.25 1.12 -0.67 1.20 0.00 0.00 173.24 173.82 2ksh n ASP 57 N -0.57 2.24 -4.51 5.45 2.03 -1.26 -3.65 116.55 116.28 2ksh n ASP 57 Ca -0.03 -2.91 -0.38 0.00 0.52 0.00 0.00 54.79 51.99 2ksh n ASP 57 Cb 0.61 -0.37 0.04 0.00 -0.72 0.00 0.00 41.12 40.68 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 -1.28 -0.50 -4.39 1.67 2.03 -1.26 -4.87 116.55 107.96 2ksh n ASP 58 Ca 0.13 0.77 -0.36 0.00 0.52 0.00 0.00 54.79 55.85 2ksh n ASP 58 Cb 0.59 -1.23 0.06 0.00 -0.72 0.00 0.00 41.12 39.82 2ksh n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ksh n ALA 59 N -1.64 -2.20 -2.72 -1.67 0.00 -1.26 -5.02 120.51 105.99 2ksh n ALA 59 Ca 0.12 -0.29 -0.11 0.00 0.00 0.00 0.00 53.44 53.17 2ksh n ALA 59 Cb 0.47 -1.72 -0.07 0.00 0.00 0.00 0.00 19.45 18.13 2ksh n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ksh s ALA 60 N -1.97 0.48 -0.12 0.00 0.00 -1.26 -4.96 121.76 113.94 2ksh s ALA 60 Ca 0.61 -1.30 0.22 0.00 0.00 0.00 0.00 51.96 51.49 2ksh s ALA 60 Cb -0.34 1.22 -0.31 0.00 0.00 0.00 0.00 23.12 23.69 2ksh s ALA 60 CO 0.62 -0.73 0.54 -0.85 0.00 0.00 0.00 175.76 175.34 2ksh n GLU 61 N -0.35 0.60 -3.57 0.00 0.28 -1.23 -5.00 120.64 111.36 2ksh n GLU 61 Ca 0.00 -0.17 -0.13 0.00 -0.16 0.00 0.00 57.16 56.71 2ksh n GLU 61 Cb 0.64 -1.53 -0.05 0.00 1.43 0.00 0.00 31.44 31.93 2ksh n GLU 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ksh s ALA 62 N -3.47 -1.24 -0.06 -1.84 0.00 -1.26 -3.26 121.76 110.64 2ksh s ALA 62 Ca -0.06 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.29 2ksh s ALA 62 Cb 0.14 0.55 0.02 0.00 0.00 0.00 0.00 23.12 23.83 2ksh s ALA 62 CO 0.90 -0.58 -0.09 0.99 0.00 0.00 0.00 175.76 176.98 2ksh s THR 63 N -3.04 0.87 -0.31 0.00 2.01 -1.05 -1.38 115.64 112.74 2ksh s THR 63 Ca -0.02 -0.32 -0.01 0.00 0.31 0.00 0.00 61.69 61.65 2ksh s THR 63 Cb -0.00 -0.83 0.06 0.00 0.01 0.00 0.00 72.50 71.74 2ksh s THR 63 CO -0.06 0.30 0.02 -0.76 -0.69 0.00 0.00 174.62 173.43 2ksh s LEU 64 N 0.82 4.09 -0.19 4.42 1.43 0.12 0.12 118.68 129.48 2ksh s LEU 64 Ca -0.12 -1.42 -0.06 0.00 -1.03 0.00 0.00 54.13 51.50 2ksh s LEU 64 Cb -0.15 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2ksh s LEU 64 CO 0.02 -0.30 0.01 -0.89 0.23 0.00 0.00 176.35 175.42 2ksh s THR 65 N 1.21 4.21 -0.02 5.49 2.01 -0.78 -0.10 115.64 127.66 2ksh s THR 65 Ca -0.03 -0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.45 2ksh s THR 65 Cb -0.20 -2.89 0.07 0.00 0.01 0.00 0.00 72.50 69.48 2ksh s THR 65 CO -0.02 0.45 0.65 0.00 -0.69 0.00 0.00 174.62 175.00 2ksh s MET 66 N 0.71 1.06 0.74 4.92 0.23 -0.99 -1.46 119.30 124.50 2ksh s MET 66 Ca 0.01 0.14 -0.15 0.00 -1.03 0.00 0.00 55.69 54.66 2ksh s MET 66 Cb -0.14 0.50 0.04 0.00 -1.53 0.00 0.00 34.83 33.70 2ksh s MET 66 CO 0.02 -0.35 1.22 0.39 -2.03 0.00 0.00 175.02 174.28 2ksh n GLU 67 N 0.78 0.57 -0.13 3.16 1.02 -1.26 -3.39 120.64 121.40 2ksh n GLU 67 Ca -0.19 0.26 -0.05 0.00 -0.02 0.00 0.00 57.16 57.17 2ksh n GLU 67 Cb 0.58 -2.46 0.02 0.00 -0.02 0.00 0.00 31.44 29.56 2ksh n GLU 67 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2ksh h ASP 68 N -0.30 -0.54 -0.70 1.62 1.82 -1.90 0.11 116.42 116.53 2ksh h ASP 68 Ca -0.48 0.14 0.10 0.00 -0.39 0.00 0.00 57.03 56.40 2ksh h ASP 68 Cb 1.32 0.32 -0.05 0.00 0.68 0.00 0.00 39.33 41.60 2ksh h ASP 68 CO 0.49 -0.19 0.46 -2.24 -1.61 0.00 0.00 179.24 176.15 2ksh h ASP 69 N -0.06 0.50 0.14 2.28 2.03 -1.90 -2.21 116.42 117.20 2ksh h ASP 69 Ca 0.21 0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.51 2ksh h ASP 69 Cb 0.38 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 38.79 2ksh h ASP 69 CO -0.47 0.30 -0.07 0.40 -1.03 0.00 0.00 179.24 178.37 2ksh h ILE 70 N 0.56 1.00 -0.85 4.15 1.08 -1.16 -2.79 117.51 119.49 2ksh h ILE 70 Ca 0.32 -0.64 0.14 0.00 -0.39 0.00 0.00 64.86 64.30 2ksh h ILE 70 Cb 0.52 1.39 -0.09 0.00 -3.07 0.00 0.00 36.82 35.56 2ksh h ILE 70 CO -0.11 0.15 0.45 -0.03 -0.69 0.00 0.00 178.15 177.92 2ksh h MET 71 N -0.49 0.64 -0.88 2.37 4.05 -0.73 -0.33 114.93 119.55 2ksh h MET 71 Ca -0.02 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.39 2ksh h MET 71 Cb 0.39 -0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 30.99 2ksh h MET 71 CO 0.03 0.42 0.58 0.35 0.23 0.00 0.00 176.91 178.52 2ksh h PHE 72 N 0.66 1.08 0.01 1.39 3.57 -1.35 0.18 116.94 122.48 2ksh h PHE 72 Ca 0.46 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.98 2ksh h PHE 72 Cb 0.61 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2ksh h PHE 72 CO -0.08 0.64 -0.01 0.00 -2.23 0.00 0.00 178.31 176.63 2ksh h ALA 73 N 1.36 -0.02 0.00 2.41 0.00 -0.80 0.25 119.26 122.46 2ksh h ALA 73 Ca 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2ksh h ALA 73 Cb -0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2ksh h ALA 73 CO -0.11 -0.46 0.00 0.82 0.00 0.00 0.00 179.25 179.50 2ksh h ILE 74 N -0.12 0.00 0.16 0.00 1.08 -1.09 0.39 117.51 117.93 2ksh h ILE 74 Ca -0.00 -0.42 -0.34 0.00 -0.39 0.00 0.00 64.86 63.70 2ksh h ILE 74 Cb 0.11 1.32 0.00 0.00 -3.07 0.00 0.00 36.82 35.19 2ksh h ILE 74 CO 0.00 0.00 -1.77 1.23 -0.69 0.00 0.00 178.15 176.93 2ksh h GLY 75 N 2.29 0.38 -3.35 5.37 0.00 -0.12 -3.35 103.07 104.30 2ksh h GLY 75 Ca 0.00 -0.98 -0.33 0.00 0.00 0.00 0.00 47.33 46.02 2ksh h GLY 75 CO 0.00 0.86 0.42 -1.30 0.00 0.00 0.00 176.54 176.52 2ksh n THR 76 N -3.63 2.50 -2.02 4.70 -2.24 0.83 -4.86 114.28 109.55 2ksh n THR 76 Ca -0.27 -1.31 -0.08 0.00 -2.27 0.00 0.00 64.05 60.11 2ksh n THR 76 Cb 1.04 -0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 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 -0.55 -0.04 0.00 3.38 0.00 -1.10 -4.84 105.19 102.04 2ksh n GLY 77 Ca 0.40 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.42 2ksh n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ksh h ALA 78 N 1.08 -0.28 -3.65 4.61 0.00 -0.50 -3.47 119.26 117.05 2ksh h ALA 78 Ca -0.19 -0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.05 2ksh h ALA 78 Cb 0.93 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.54 2ksh h ALA 78 CO 0.24 -0.28 -0.72 -0.51 0.00 0.00 0.00 179.25 177.98 2ksh s LEU 79 N -4.02 3.08 0.11 0.00 1.43 -1.04 -5.00 118.68 113.24 2ksh s LEU 79 Ca -0.00 -0.22 -0.31 0.00 -1.03 0.00 0.00 54.13 52.57 2ksh s LEU 79 Cb 0.00 -1.79 -0.08 0.00 0.03 0.00 0.00 46.19 44.35 2ksh s LEU 79 CO 0.00 0.26 1.36 -2.16 0.23 0.00 0.00 176.35 176.05 2ksh s PRO 80 N -1.54 4.34 0.57 1.29 0.04 -1.26 -3.73 135.00 134.71 2ksh s PRO 80 Ca 0.18 2.04 0.27 0.00 0.04 0.00 0.00 61.00 63.52 2ksh s PRO 80 Cb -0.11 -3.26 1.59 0.00 0.04 0.00 0.00 34.50 32.76 2ksh s PRO 80 CO 0.08 -0.41 2.10 0.00 0.04 0.00 0.00 177.00 178.81 2ksh h ALA 81 N 6.78 1.90 0.44 8.56 0.00 -1.94 -2.15 119.26 132.85 2ksh h ALA 81 Ca -0.42 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 2ksh h ALA 81 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2ksh h ALA 81 CO 0.86 -0.30 -0.21 0.87 0.00 0.00 0.00 179.25 180.47 2ksh h LYS 82 N 0.00 -0.57 -0.29 0.00 6.56 -2.00 -2.67 116.57 117.60 2ksh h LYS 82 Ca 0.09 0.04 0.05 0.00 -1.06 0.00 0.00 60.65 59.77 2ksh h LYS 82 Cb 0.48 0.13 -0.05 0.00 -0.57 0.00 0.00 32.23 32.23 2ksh h LYS 82 CO -0.00 -0.27 0.00 1.49 -2.06 0.00 0.00 179.45 178.62 2ksh h GLU 83 N -0.98 0.09 -0.93 3.15 4.57 -1.85 -1.68 114.58 116.95 2ksh h GLU 83 Ca -0.06 -0.01 0.18 0.00 -1.18 0.00 0.00 59.36 58.30 2ksh h GLU 83 Cb 0.57 -0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 29.03 2ksh h GLU 83 CO 0.10 0.06 0.51 0.00 -1.18 0.00 0.00 179.01 178.50 2ksh h ALA 84 N 1.25 1.49 -0.02 2.92 0.00 -1.47 0.34 119.26 123.79 2ksh h ALA 84 Ca 0.14 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2ksh h ALA 84 Cb 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2ksh h ALA 84 CO -0.23 -0.12 -0.28 1.98 0.00 0.00 0.00 179.25 180.59 2ksh h MET 85 N 0.64 0.03 0.00 0.00 4.05 -0.95 -2.09 114.93 116.61 2ksh h MET 85 Ca 0.54 -0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.85 2ksh h MET 85 Cb 0.85 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.64 2ksh h MET 85 CO -0.40 0.31 -0.48 0.00 0.23 0.00 0.00 176.91 176.57 2ksh h ALA 86 N 1.69 0.79 -0.17 0.39 0.00 0.10 -2.98 119.26 119.09 2ksh h ALA 86 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2ksh h ALA 86 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2ksh h ALA 86 CO 0.04 0.60 0.00 1.04 0.00 0.00 0.00 179.25 180.93 2ksh n GLN 87 N -3.37 1.52 -1.25 0.00 6.02 -0.49 -4.87 117.38 114.94 2ksh n GLN 87 Ca 0.01 -0.80 -0.09 0.00 -0.01 0.00 0.00 57.00 56.12 2ksh n GLN 87 Cb 0.65 -1.29 -0.04 0.00 1.02 0.00 0.00 30.24 30.58 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 0.07 -5.12 -0.17 1.08 -0.08 -1.13 -4.82 116.55 106.38 2ksh n ASP 88 Ca 0.12 0.21 0.14 0.00 -1.51 0.00 0.00 54.79 53.76 2ksh n ASP 88 Cb 0.23 -3.38 0.55 0.00 2.34 0.00 0.00 41.12 40.86 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 -1.32 0.78 -3.59 -0.67 5.02 -0.84 -4.86 118.16 112.68 2ksh n LYS 89 Ca -0.09 -0.33 -0.14 0.00 -2.02 0.00 0.00 58.31 55.73 2ksh n LYS 89 Cb 0.46 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.92 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 -2.45 0.83 0.23 1.97 0.23 -1.21 -4.07 119.30 114.83 2ksh s MET 90 Ca 0.29 0.62 0.04 0.00 -1.03 0.00 0.00 55.69 55.61 2ksh s MET 90 Cb 0.20 0.40 -0.05 0.00 -1.53 0.00 0.00 34.83 33.85 2ksh s MET 90 CO 0.48 -0.17 -0.03 -2.00 -2.03 0.00 0.00 175.02 171.26 2ksh s GLU 91 N -0.28 1.35 -0.04 3.16 2.56 -0.54 -4.29 118.70 120.61 2ksh s GLU 91 Ca -0.03 -1.66 -0.07 0.00 0.00 0.00 0.00 54.97 53.21 2ksh s GLU 91 Cb -0.03 -0.76 0.01 0.00 2.00 0.00 0.00 34.13 35.36 2ksh s GLU 91 CO 0.03 -0.03 0.17 0.08 -0.56 0.00 0.00 175.26 174.95 2ksh s VAL 92 N -3.30 0.03 0.46 3.70 1.01 -1.26 -1.86 120.40 119.18 2ksh s VAL 92 Ca 0.27 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.03 2ksh s VAL 92 Cb 0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 2ksh s VAL 92 CO 0.08 -0.13 0.03 -0.62 0.00 0.00 0.00 175.10 174.46 2ksh s ASP 93 N -0.43 3.74 0.83 3.32 2.15 0.12 -4.94 116.67 121.45 2ksh s ASP 93 Ca -0.05 -1.59 0.00 0.00 0.43 0.00 0.00 52.55 51.34 2ksh s ASP 93 Cb -0.03 0.31 0.00 0.00 -0.30 0.00 0.00 42.92 42.89 2ksh s ASP 93 CO 0.01 -0.78 0.00 0.61 -0.17 0.00 0.00 175.17 174.84 2ksh n GLY 94 N -1.11 1.74 3.34 2.66 0.00 -1.26 -2.52 105.19 108.03 2ksh n GLY 94 Ca -0.13 -0.62 -0.46 0.00 0.00 0.00 0.00 46.02 44.81 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 3.08 0.51 1.61 -1.52 -1.20 -4.90 119.66 117.23 2ksh s GLN 95 Ca 0.00 -1.65 0.21 0.00 -1.95 0.00 0.00 55.36 51.97 2ksh s GLN 95 Cb 0.00 -4.31 1.32 0.00 -0.22 0.00 0.00 33.01 29.79 2ksh s GLN 95 CO 0.00 -1.41 2.09 0.28 -0.25 0.00 0.00 175.29 176.00 2ksh h VAL 96 N 5.80 0.86 0.00 1.09 2.07 -1.93 -1.43 116.25 122.71 2ksh h VAL 96 Ca -0.25 -0.35 -0.14 0.00 0.82 0.00 0.00 66.70 66.77 2ksh h VAL 96 Cb 1.09 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 2ksh h VAL 96 CO 1.04 0.09 -0.67 1.05 0.02 0.00 0.00 177.57 179.10 2ksh h GLU 97 N 0.00 0.00 0.05 1.57 4.11 -1.98 -2.96 114.58 115.37 2ksh h GLU 97 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2ksh h GLU 97 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2ksh h GLU 97 CO 0.01 0.67 -0.03 -0.07 0.07 0.00 0.00 179.01 179.67 2ksh h LEU 98 N 0.00 -0.06 -1.98 3.06 3.38 -1.71 -3.19 115.31 114.82 2ksh h LEU 98 Ca -0.01 -0.47 0.15 0.00 0.09 0.00 0.00 57.88 57.65 2ksh h LEU 98 Cb 1.21 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 2ksh h LEU 98 CO 0.09 0.64 0.48 0.16 0.09 0.00 0.00 178.44 179.89 2ksh h ILE 99 N -0.96 0.46 -0.13 1.22 -0.00 -1.45 0.24 117.51 116.88 2ksh h ILE 99 Ca -0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 64.86 64.68 2ksh h ILE 99 Cb 0.53 0.64 -0.00 0.00 -0.00 0.00 0.00 36.82 37.98 2ksh h ILE 99 CO 0.01 0.00 -0.64 0.15 -0.00 0.00 0.00 178.15 177.67 2ksh h PHE 100 N 0.00 0.63 0.00 0.16 3.04 -1.58 -2.83 116.94 116.36 2ksh h PHE 100 Ca 0.25 -0.25 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2ksh h PHE 100 Cb 1.20 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.60 2ksh h PHE 100 CO 0.00 0.99 0.00 1.28 -2.02 0.00 0.00 178.31 178.56 2ksh n LEU 101 N -3.90 0.34 0.08 0.59 7.99 0.82 -2.16 117.00 120.75 2ksh n LEU 101 Ca -0.04 0.60 -0.15 0.00 -0.01 0.00 0.00 56.01 56.41 2ksh n LEU 101 Cb 0.65 -0.57 -0.14 0.00 -0.11 0.00 0.00 43.42 43.26 2ksh n LEU 101 CO 0.48 -0.49 -0.16 -0.07 -1.51 0.00 0.00 177.39 175.64 2ksh h LEU 102 N 0.00 0.34 -0.26 2.23 3.38 -1.40 -3.30 115.31 116.30 2ksh h LEU 102 Ca 0.00 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.60 2ksh h LEU 102 Cb 0.24 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 2ksh h LEU 102 CO 0.00 1.34 -0.48 -0.08 0.09 0.00 0.00 178.44 179.30 2ksh h GLU 103 N 0.06 -0.44 0.00 1.13 4.22 -1.49 0.30 114.58 118.36 2ksh h GLU 103 Ca -0.17 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.30 2ksh h GLU 103 Cb 1.97 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.32 2ksh h GLU 103 CO 0.17 -0.29 0.00 -0.35 -2.18 0.00 0.00 179.01 176.36 2ksh n PRO 104 N -5.42 0.23 0.06 0.92 -0.04 -1.26 -2.02 135.00 127.47 2ksh n PRO 104 Ca -0.03 0.14 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 2ksh n PRO 104 Cb 0.36 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.41 2ksh n PRO 104 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2ksh n PHE 105 N -1.26 0.52 0.03 0.54 7.35 0.10 -4.02 117.46 120.72 2ksh n PHE 105 Ca 0.07 0.15 0.18 0.00 -0.76 0.00 0.00 57.45 57.09 2ksh n PHE 105 Cb 0.11 -0.63 0.67 0.00 0.35 0.00 0.00 39.48 39.98 2ksh n PHE 105 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2ksh h ILE 106 N 0.00 0.78 -0.80 -2.13 2.04 -0.78 -0.50 117.51 116.13 2ksh h ILE 106 Ca 0.00 -0.01 0.15 0.00 1.00 0.00 0.00 64.86 66.00 2ksh h ILE 106 Cb 0.79 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 2ksh h ILE 106 CO 0.00 0.00 0.53 0.00 0.00 0.00 0.00 178.15 178.68 2ksh h ALA 107 N 1.77 2.05 0.00 1.87 0.00 -1.79 0.51 119.26 123.67 2ksh h ALA 107 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 2ksh h ALA 107 Cb 0.84 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2ksh h ALA 107 CO -0.01 -0.26 -1.09 1.03 0.00 0.00 0.00 179.25 178.92 2ksh h SER 108 N 0.49 0.00 -0.88 0.00 0.87 -1.38 -3.31 113.55 109.34 2ksh h SER 108 Ca 0.39 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.42 2ksh h SER 108 Cb 0.83 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 62.51 2ksh h SER 108 CO -0.14 0.63 0.49 0.18 -0.53 0.00 0.00 176.83 177.46 2ksh n LEU 109 N -3.06 6.58 0.00 2.23 4.32 -0.01 -4.91 117.00 122.14 2ksh n LEU 109 Ca -0.05 -4.03 0.01 0.00 -0.02 0.00 0.00 56.01 51.92 2ksh n LEU 109 Cb 0.83 -0.82 0.09 0.00 -1.62 0.00 0.00 43.42 41.90 2ksh n LEU 109 CO 0.43 1.36 0.33 1.17 -1.22 0.00 0.00 177.39 179.46