#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 1.35 0.12 7.83 1.04 -1.26 -5.15 113.70 117.63 2ksh s SER 2 Ca 0.00 -0.22 0.08 0.00 0.48 0.00 0.00 55.95 56.29 2ksh s SER 2 Cb 0.00 -0.14 -0.04 0.00 0.10 0.00 0.00 66.02 65.93 2ksh s SER 2 CO 0.00 0.13 -0.15 -0.76 0.98 0.00 0.00 173.24 173.44 2ksh s LEU 3 N -0.33 2.82 0.31 2.42 1.43 -1.26 -5.03 118.68 119.05 2ksh s LEU 3 Ca 0.04 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 2ksh s LEU 3 Cb -0.05 -1.63 0.52 0.00 0.03 0.00 0.00 46.19 45.07 2ksh s LEU 3 CO -0.00 0.17 1.86 0.11 0.23 0.00 0.00 176.35 178.71 2ksh h LYS 4 N 3.59 0.65 0.00 1.70 1.57 -2.01 -1.85 116.57 120.22 2ksh h LYS 4 Ca -0.49 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.15 2ksh h LYS 4 Cb 1.17 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 2ksh h LYS 4 CO 0.49 0.63 -0.00 0.66 -0.57 0.00 0.00 179.45 180.65 2ksh h SER 5 N 0.62 0.00 -1.00 0.86 4.64 -1.95 -2.16 113.55 114.56 2ksh h SER 5 Ca 0.14 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.57 2ksh h SER 5 Cb 0.31 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.32 2ksh h SER 5 CO 0.01 0.00 0.63 -0.78 -0.87 0.00 0.00 176.83 175.81 2ksh h ASP 6 N 0.00 0.92 -0.95 4.97 1.82 -1.73 0.27 116.42 121.72 2ksh h ASP 6 Ca -0.00 0.05 0.01 0.00 -0.39 0.00 0.00 57.03 56.69 2ksh h ASP 6 Cb 0.01 -0.14 -0.05 0.00 0.68 0.00 0.00 39.33 39.84 2ksh h ASP 6 CO 0.00 0.49 0.62 -0.33 -1.61 0.00 0.00 179.24 178.42 2ksh h GLU 7 N 0.99 1.26 0.06 0.28 5.08 -1.57 0.37 114.58 121.06 2ksh h GLU 7 Ca 0.49 -0.08 -0.21 0.00 -1.00 0.00 0.00 59.36 58.56 2ksh h GLU 7 Cb 0.48 -0.28 0.02 0.00 0.50 0.00 0.00 28.75 29.47 2ksh h GLU 7 CO -0.26 0.84 -0.87 0.28 -1.00 0.00 0.00 179.01 178.00 2ksh h VAL 8 N 1.30 1.39 -0.49 3.13 2.07 -1.29 -2.86 116.25 119.49 2ksh h VAL 8 Ca 0.35 -2.30 -0.08 0.00 0.82 0.00 0.00 66.70 65.49 2ksh h VAL 8 Cb -0.13 2.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 2ksh h VAL 8 CO -0.07 0.68 -0.01 -0.26 0.02 0.00 0.00 177.57 177.93 2ksh h PHE 9 N -0.00 0.88 -0.02 1.57 -1.00 -0.31 -0.52 116.94 117.54 2ksh h PHE 9 Ca -0.13 -0.13 -0.00 0.00 2.81 0.00 0.00 57.97 60.52 2ksh h PHE 9 Cb 1.59 -0.24 -0.00 0.00 3.61 0.00 0.00 35.95 40.91 2ksh h PHE 9 CO 0.14 0.81 0.00 0.00 -1.61 0.00 0.00 178.31 177.66 2ksh h ALA 10 N 1.23 0.02 -0.47 2.45 0.00 -0.34 -1.36 119.26 120.78 2ksh h ALA 10 Ca 0.15 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2ksh h ALA 10 Cb 0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2ksh h ALA 10 CO 0.02 -0.34 0.01 1.57 0.00 0.00 0.00 179.25 180.52 2ksh h LYS 11 N -0.24 0.76 -0.39 0.00 2.10 -1.42 -2.59 116.57 114.79 2ksh h LYS 11 Ca 0.01 -0.20 -0.04 0.00 -2.00 0.00 0.00 60.65 58.42 2ksh h LYS 11 Cb 0.28 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 31.50 2ksh h LYS 11 CO 0.00 0.77 0.10 0.82 -2.00 0.00 0.00 179.45 179.14 2ksh h ILE 12 N 0.72 1.22 -0.25 0.07 2.04 -1.00 -2.03 117.51 118.28 2ksh h ILE 12 Ca 0.14 -0.76 0.01 0.00 1.00 0.00 0.00 64.86 65.26 2ksh h ILE 12 Cb 0.42 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 2ksh h ILE 12 CO 0.02 0.26 0.13 0.00 0.00 0.00 0.00 178.15 178.56 2ksh h ALA 13 N 0.95 0.30 -0.76 1.87 0.00 -1.06 -1.43 119.26 119.13 2ksh h ALA 13 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2ksh h ALA 13 Cb 0.30 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2ksh h ALA 13 CO 0.00 -0.27 0.49 0.87 0.00 0.00 0.00 179.25 180.34 2ksh h LYS 14 N 0.27 0.95 0.00 0.00 1.79 -1.38 -1.48 116.57 116.71 2ksh h LYS 14 Ca 0.10 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.47 2ksh h LYS 14 Cb 0.02 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.45 2ksh h LYS 14 CO -0.06 0.63 -0.21 0.00 -1.08 0.00 0.00 179.45 178.72 2ksh h ARG 15 N 0.97 0.00 0.00 3.15 2.47 -0.97 -1.11 114.38 118.89 2ksh h ARG 15 Ca 0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.01 2ksh h ARG 15 Cb -0.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 2ksh h ARG 15 CO -0.09 0.21 0.00 1.28 0.56 0.00 0.00 179.97 181.93 2ksh n LEU 16 N -4.28 0.04 0.13 3.04 4.77 -0.57 -2.56 117.00 117.56 2ksh n LEU 16 Ca -0.02 0.51 0.13 0.00 -0.03 0.00 0.00 56.01 56.59 2ksh n LEU 16 Cb 0.27 -0.50 0.41 0.00 -2.33 0.00 0.00 43.42 41.27 2ksh n LEU 16 CO 0.37 -0.15 0.88 -0.33 -1.33 0.00 0.00 177.39 176.83 2ksh h GLU 17 N 0.00 0.00 -0.03 3.23 5.08 -0.96 -2.95 114.58 118.95 2ksh h GLU 17 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ksh h GLU 17 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2ksh h GLU 17 CO 0.00 0.00 -0.02 0.43 -1.00 0.00 0.00 179.01 178.42 2ksh n SER 18 N -2.38 2.62 -4.74 1.42 7.64 -1.06 -4.97 113.62 112.15 2ksh n SER 18 Ca 0.05 -1.86 -0.41 0.00 1.01 0.00 0.00 58.87 57.65 2ksh n SER 18 Cb 0.40 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 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 1.02 2.21 -4.20 0.44 2.08 -1.12 -5.01 119.36 114.79 2ksh n ILE 19 Ca 0.15 -0.50 -0.24 0.00 0.56 0.00 0.00 62.75 62.72 2ksh n ILE 19 Cb 0.54 -1.77 -0.06 0.00 -0.75 0.00 0.00 39.64 37.60 2ksh n ILE 19 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 2ksh s ASP 20 N -0.30 4.96 0.28 4.38 1.11 -1.26 -5.03 116.67 120.81 2ksh s ASP 20 Ca 0.56 -0.42 0.06 0.00 0.18 0.00 0.00 52.55 52.93 2ksh s ASP 20 Cb -0.50 -1.10 0.40 0.00 1.07 0.00 0.00 42.92 42.79 2ksh s ASP 20 CO 0.61 0.02 1.66 1.55 1.18 0.00 0.00 175.17 180.20 2ksh h PRO 21 N 2.05 0.24 0.16 8.23 0.13 -2.04 -3.28 132.00 137.49 2ksh h PRO 21 Ca -0.46 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 64.53 2ksh h PRO 21 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2ksh h PRO 21 CO 0.60 0.65 -0.08 0.00 -0.23 0.00 0.00 178.00 178.95 2ksh h ALA 22 N 1.33 -0.21 -2.53 -0.56 0.00 -2.03 -3.43 119.26 111.83 2ksh h ALA 22 Ca 0.01 -0.23 -0.62 0.00 0.00 0.00 0.00 54.91 54.08 2ksh h ALA 22 Cb 0.89 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.64 2ksh h ALA 22 CO 0.07 -0.31 0.06 -0.80 0.00 0.00 0.00 179.25 178.27 2ksh s ASN 23 N -5.47 6.49 0.00 0.00 0.01 -1.24 -4.65 114.94 110.08 2ksh s ASN 23 Ca -0.13 0.57 0.00 0.00 -0.71 0.00 0.00 52.86 52.59 2ksh s ASN 23 Cb 0.01 -2.30 0.00 0.00 0.41 0.00 0.00 41.25 39.36 2ksh s ASN 23 CO 0.50 -0.34 0.00 0.54 -1.51 0.00 0.00 177.10 176.29 2ksh n ARG 24 N 5.64 0.00 0.00 -0.60 1.74 -1.26 -3.97 116.66 118.20 2ksh n ARG 24 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2ksh n ARG 24 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 2ksh n ARG 24 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2ksh n GLN 25 N -0.92 0.00 -3.64 5.56 6.02 -1.26 -4.60 117.38 118.54 2ksh n GLN 25 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 2ksh n GLN 25 Cb 0.00 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.19 2ksh n GLN 25 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2ksh s VAL 26 N 0.00 -0.00 -0.08 5.09 0.11 -1.26 -5.15 120.40 119.10 2ksh s VAL 26 Ca 0.00 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.04 2ksh s VAL 26 Cb 0.00 -0.96 0.03 0.00 -1.53 0.00 0.00 36.38 33.91 2ksh s VAL 26 CO 0.00 0.00 -0.03 -1.61 -3.33 0.00 0.00 175.10 170.14 2ksh s GLU 27 N 0.96 0.93 0.02 1.54 0.41 -1.26 -5.07 118.70 116.23 2ksh s GLU 27 Ca -0.05 -0.02 0.03 0.00 -0.41 0.00 0.00 54.97 54.52 2ksh s GLU 27 Cb -0.05 -1.17 -0.02 0.00 -1.78 0.00 0.00 34.13 31.11 2ksh s GLU 27 CO -0.09 -0.28 -0.09 -3.38 -0.49 0.00 0.00 175.26 170.93 2ksh s HIS 28 N 1.84 0.83 0.19 1.61 -3.43 -1.26 -5.03 115.29 110.05 2ksh s HIS 28 Ca 0.04 -0.29 -0.32 0.00 -0.80 0.00 0.00 55.06 53.70 2ksh s HIS 28 Cb -0.12 -0.51 -0.11 0.00 -1.43 0.00 0.00 32.58 30.40 2ksh s HIS 28 CO -0.06 -0.01 1.67 0.08 -2.00 0.00 0.00 174.74 174.41 2ksh s VAL 29 N -0.68 2.24 0.07 -5.38 1.01 -1.26 -4.94 120.40 111.46 2ksh s VAL 29 Ca -0.01 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.22 2ksh s VAL 29 Cb -0.06 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 2ksh s VAL 29 CO 0.00 0.01 -0.21 -0.47 0.00 0.00 0.00 175.10 174.44 2ksh s TYR 30 N 1.16 1.78 -0.11 5.22 5.04 -1.24 -1.87 117.35 127.33 2ksh s TYR 30 Ca 0.73 -0.39 -0.00 0.00 -2.44 0.00 0.00 57.07 54.96 2ksh s TYR 30 Cb -0.48 -1.02 -0.02 0.00 0.35 0.00 0.00 41.96 40.79 2ksh s TYR 30 CO 0.32 0.14 -0.10 0.21 -1.34 0.00 0.00 175.55 174.78 2ksh s LYS 31 N -1.52 3.22 -0.16 4.97 2.20 -0.90 -1.20 119.74 126.35 2ksh s LYS 31 Ca 0.07 -0.63 -0.01 0.00 -0.36 0.00 0.00 55.97 55.04 2ksh s LYS 31 Cb -0.09 -2.65 -0.01 0.00 -1.51 0.00 0.00 37.83 33.57 2ksh s LYS 31 CO 0.03 0.35 -0.12 -0.06 -0.36 0.00 0.00 175.35 175.19 2ksh s PHE 32 N 0.00 2.83 -0.21 4.03 0.08 -0.55 -0.21 117.98 123.96 2ksh s PHE 32 Ca -0.02 -0.87 -0.03 0.00 0.12 0.00 0.00 56.93 56.13 2ksh s PHE 32 Cb -0.14 -1.92 -0.00 0.00 -0.57 0.00 0.00 43.02 40.39 2ksh s PHE 32 CO 0.04 -0.39 -0.08 1.03 -0.10 0.00 0.00 175.22 175.71 2ksh s ARG 33 N 0.77 3.29 -0.25 0.44 0.52 -0.67 -0.15 118.95 122.90 2ksh s ARG 33 Ca -0.05 -0.68 -0.04 0.00 -0.52 0.00 0.00 55.73 54.45 2ksh s ARG 33 Cb -0.15 -2.89 0.01 0.00 0.52 0.00 0.00 34.95 32.44 2ksh s ARG 33 CO 0.01 -0.18 -0.02 0.42 0.02 0.00 0.00 175.30 175.55 2ksh s ILE 34 N 1.38 3.36 0.02 1.52 1.01 -1.07 -0.99 121.20 126.45 2ksh s ILE 34 Ca 0.05 -0.72 -0.10 0.00 0.00 0.00 0.00 60.65 59.87 2ksh s ILE 34 Cb -0.14 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.63 2ksh s ILE 34 CO -0.05 0.26 0.35 0.42 0.00 0.00 0.00 174.94 175.92 2ksh s THR 35 N 1.43 5.16 -0.50 2.92 -4.23 -1.24 -2.11 115.64 117.07 2ksh s THR 35 Ca 0.03 0.49 -0.19 0.00 -1.18 0.00 0.00 61.69 60.84 2ksh s THR 35 Cb -0.16 -3.63 0.05 0.00 1.34 0.00 0.00 72.50 70.11 2ksh s THR 35 CO -0.02 0.42 0.62 -1.10 -0.54 0.00 0.00 174.62 174.01 2ksh s GLN 36 N -1.54 3.14 0.00 3.99 -0.21 0.28 -3.27 119.66 122.05 2ksh s GLN 36 Ca 0.27 -0.81 0.00 0.00 0.02 0.00 0.00 55.36 54.84 2ksh s GLN 36 Cb -0.14 -4.07 0.00 0.00 1.00 0.00 0.00 33.01 29.79 2ksh s GLN 36 CO 0.15 -1.18 0.00 0.41 -2.12 0.00 0.00 175.29 172.54 2ksh n GLY 37 N 5.15 1.37 0.00 3.09 0.00 -1.26 -3.03 105.19 110.51 2ksh n GLY 37 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.06 2.97 -0.02 0.00 -1.26 -5.10 105.19 101.83 2ksh n GLY 38 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.51 0.25 1.61 2.47 -1.17 -5.05 119.74 118.36 2ksh s LYS 39 Ca 0.00 -0.22 -0.30 0.00 -1.56 0.00 0.00 55.97 53.89 2ksh s LYS 39 Cb 0.00 -0.49 -0.14 0.00 -1.46 0.00 0.00 37.83 35.73 2ksh s LYS 39 CO 0.00 0.13 1.16 1.55 0.16 0.00 0.00 175.35 178.35 2ksh n VAL 40 N 2.94 1.43 -0.00 4.02 3.14 -1.26 0.98 118.33 129.58 2ksh n VAL 40 Ca -0.13 -0.36 -0.00 0.00 -2.96 0.00 0.00 64.34 60.89 2ksh n VAL 40 Cb 0.58 -1.09 -0.00 0.00 -1.06 0.00 0.00 33.84 32.27 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 0.98 0.00 -3.58 1.55 3.14 -0.90 -4.67 118.33 114.86 2ksh n VAL 41 Ca 0.11 -0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.43 2ksh n VAL 41 Cb 0.30 -0.67 -0.03 0.00 -1.06 0.00 0.00 33.84 32.38 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 -2.00 0.45 -0.05 1.45 2.20 -1.21 -5.05 119.74 115.53 2ksh s LYS 42 Ca -0.00 -0.09 0.04 0.00 -0.36 0.00 0.00 55.97 55.56 2ksh s LYS 42 Cb 0.00 0.21 -0.00 0.00 -1.51 0.00 0.00 37.83 36.53 2ksh s LYS 42 CO 0.00 -0.18 -0.18 0.54 -0.36 0.00 0.00 175.35 175.17 2ksh s ASN 43 N -1.90 2.27 0.20 1.43 2.20 -1.26 -2.59 114.94 115.28 2ksh s ASN 43 Ca 0.06 -0.37 0.07 0.00 -0.94 0.00 0.00 52.86 51.67 2ksh s ASN 43 Cb -0.01 -0.68 -0.04 0.00 -2.00 0.00 0.00 41.25 38.53 2ksh s ASN 43 CO -0.05 0.16 0.08 0.26 -2.94 0.00 0.00 177.10 174.61 2ksh s TRP 44 N 0.07 2.98 -0.06 1.54 0.52 0.79 -4.24 118.94 120.55 2ksh s TRP 44 Ca -0.05 -0.10 0.02 0.00 0.02 0.00 0.00 56.10 55.99 2ksh s TRP 44 Cb -0.12 -1.41 0.01 0.00 -1.15 0.00 0.00 33.47 30.81 2ksh s TRP 44 CO 0.03 0.53 -0.10 0.08 0.02 0.00 0.00 176.95 177.51 2ksh s VAL 45 N -1.88 0.94 -0.22 4.03 1.01 -0.92 -1.48 120.40 121.88 2ksh s VAL 45 Ca 0.30 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 2ksh s VAL 45 Cb -0.09 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 2ksh s VAL 45 CO 0.21 0.31 0.23 -0.32 0.00 0.00 0.00 175.10 175.54 2ksh s MET 46 N 0.67 4.13 0.00 2.72 1.75 -0.34 -2.33 119.30 125.90 2ksh s MET 46 Ca -0.13 -0.11 0.00 0.00 -1.25 0.00 0.00 55.69 54.21 2ksh s MET 46 Cb -0.15 -3.51 0.00 0.00 2.84 0.00 0.00 34.83 34.01 2ksh s MET 46 CO 0.02 0.08 0.00 -3.47 -0.65 0.00 0.00 175.02 171.01 2ksh n ASP 47 N 4.17 -0.67 0.00 1.11 -0.08 0.02 -3.67 116.55 117.43 2ksh n ASP 47 Ca -0.13 -0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.13 2ksh n ASP 47 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 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 0.00 0.15 -2.67 0.00 -1.26 -4.39 117.00 108.83 2ksh n LEU 48 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 56.01 56.02 2ksh n LEU 48 Cb 0.00 0.36 0.20 0.00 0.00 0.00 0.00 43.42 43.98 2ksh n LEU 48 CO 0.00 -0.45 0.54 0.50 0.00 0.00 0.00 177.39 177.98 2ksh h LYS 49 N 0.00 0.00 0.00 1.96 3.64 -1.96 -3.26 116.57 116.96 2ksh h LYS 49 Ca 0.00 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 2ksh h LYS 49 Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2ksh h LYS 49 CO 0.00 0.54 -1.98 0.09 -2.27 0.00 0.00 179.45 175.83 2ksh n ASN 50 N -3.61 0.88 -2.46 4.20 4.13 -1.26 -5.03 115.26 112.11 2ksh n ASN 50 Ca -0.00 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.16 2ksh n ASN 50 Cb 0.61 1.37 0.05 0.00 -1.54 0.00 0.00 39.78 40.28 2ksh n ASN 50 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2ksh n VAL 51 N -2.37 -3.91 -4.03 2.41 0.31 -1.23 -5.02 118.33 104.49 2ksh n VAL 51 Ca -0.15 -0.37 -0.08 0.00 -0.01 0.00 0.00 64.34 63.73 2ksh n VAL 51 Cb 0.75 -4.15 -0.11 0.00 -0.91 0.00 0.00 33.84 29.43 2ksh n VAL 51 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2ksh s LYS 52 N -4.68 0.44 -0.15 5.55 -2.85 -1.26 -4.63 119.74 112.15 2ksh s LYS 52 Ca 0.04 -0.85 -0.10 0.00 -1.00 0.00 0.00 55.97 54.06 2ksh s LYS 52 Cb -0.00 0.13 -0.05 0.00 -2.06 0.00 0.00 37.83 35.85 2ksh s LYS 52 CO 0.44 -0.07 0.17 -0.51 0.10 0.00 0.00 175.35 175.48 2ksh s LEU 53 N -2.03 4.29 0.05 2.77 1.02 -1.26 -0.80 118.68 122.73 2ksh s LEU 53 Ca -0.07 0.39 -0.10 0.00 0.02 0.00 0.00 54.13 54.38 2ksh s LEU 53 Cb -0.03 -2.15 0.00 0.00 0.02 0.00 0.00 46.19 44.04 2ksh s LEU 53 CO -0.04 0.26 0.21 0.68 0.02 0.00 0.00 176.35 177.48 2ksh s VAL 54 N -0.21 0.11 -0.66 -1.59 -7.23 -0.98 -4.99 120.40 104.85 2ksh s VAL 54 Ca 0.13 -0.94 -0.26 0.00 -1.81 0.00 0.00 61.98 59.10 2ksh s VAL 54 Cb -0.12 -1.02 0.04 0.00 0.56 0.00 0.00 36.38 35.84 2ksh s VAL 54 CO 0.02 -0.52 1.15 -1.83 -0.31 0.00 0.00 175.10 173.61 2ksh s GLU 55 N -2.90 3.27 0.20 4.82 -1.05 -1.26 -2.16 118.70 119.62 2ksh s GLU 55 Ca -0.02 -0.25 -0.07 0.00 -0.15 0.00 0.00 54.97 54.47 2ksh s GLU 55 Cb 0.00 -4.13 -0.02 0.00 -0.44 0.00 0.00 34.13 29.54 2ksh s GLU 55 CO -0.06 -1.88 0.29 0.45 0.95 0.00 0.00 175.26 175.01 2ksh s SER 56 N 3.42 0.04 -0.05 0.83 0.15 -1.26 -4.94 113.70 111.89 2ksh s SER 56 Ca 0.34 -1.06 0.12 0.00 0.70 0.00 0.00 55.95 56.05 2ksh s SER 56 Cb -0.10 0.46 0.35 0.00 -1.71 0.00 0.00 66.02 65.02 2ksh s SER 56 CO 0.17 -0.95 1.29 -0.67 1.20 0.00 0.00 173.24 174.28 2ksh n ASP 57 N -0.28 3.14 -4.70 5.45 -0.08 -1.26 -3.89 116.55 114.93 2ksh n ASP 57 Ca -0.03 -2.29 -0.34 0.00 -1.51 0.00 0.00 54.79 50.63 2ksh n ASP 57 Cb 0.64 -0.31 0.12 0.00 2.34 0.00 0.00 41.12 43.90 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 0.18 1.29 -4.26 1.67 -0.08 -1.26 -4.99 116.55 109.09 2ksh n ASP 58 Ca 0.14 0.64 -0.29 0.00 -1.51 0.00 0.00 54.79 53.77 2ksh n ASP 58 Cb 0.55 -1.52 0.21 0.00 2.34 0.00 0.00 41.12 42.70 2ksh n ASP 58 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ksh s ALA 59 N -1.96 0.71 0.16 -1.67 0.00 -1.26 -4.94 121.76 112.80 2ksh s ALA 59 Ca 0.76 -0.65 -0.21 0.00 0.00 0.00 0.00 51.96 51.86 2ksh s ALA 59 Cb -0.31 -3.00 0.06 0.00 0.00 0.00 0.00 23.12 19.86 2ksh s ALA 59 CO 0.48 -3.25 0.54 0.00 0.00 0.00 0.00 175.76 173.53 2ksh s ALA 60 N -2.97 -1.35 0.53 0.00 0.00 -1.26 -4.94 121.76 111.76 2ksh s ALA 60 Ca 0.68 0.27 0.22 0.00 0.00 0.00 0.00 51.96 53.12 2ksh s ALA 60 Cb -0.14 0.83 1.35 0.00 0.00 0.00 0.00 23.12 25.16 2ksh s ALA 60 CO 0.57 -0.74 2.06 0.93 0.00 0.00 0.00 175.76 178.58 2ksh h GLU 61 N 2.12 0.00 -3.21 0.00 4.39 -1.73 -3.44 114.58 112.71 2ksh h GLU 61 Ca -0.33 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.34 2ksh h GLU 61 Cb 1.29 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.82 2ksh h GLU 61 CO 0.40 0.00 0.07 0.00 -1.16 0.00 0.00 179.01 178.32 2ksh s ALA 62 N -5.03 -1.21 -0.08 3.43 0.00 -1.24 -3.71 121.76 113.92 2ksh s ALA 62 Ca -0.05 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.06 2ksh s ALA 62 Cb 0.18 0.81 0.01 0.00 0.00 0.00 0.00 23.12 24.12 2ksh s ALA 62 CO 0.70 -0.73 -0.15 0.99 0.00 0.00 0.00 175.76 176.56 2ksh s THR 63 N -3.80 1.40 -0.31 0.00 2.01 0.94 -2.12 115.64 113.77 2ksh s THR 63 Ca 0.04 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.40 2ksh s THR 63 Cb -0.00 -1.26 0.06 0.00 0.01 0.00 0.00 72.50 71.31 2ksh s THR 63 CO -0.10 0.42 0.01 -0.22 -0.69 0.00 0.00 174.62 174.03 2ksh s LEU 64 N 0.69 4.00 -0.22 4.42 0.20 0.71 -0.90 118.68 127.58 2ksh s LEU 64 Ca -0.13 -1.38 -0.13 0.00 0.69 0.00 0.00 54.13 53.18 2ksh s LEU 64 Cb -0.16 -1.70 -0.04 0.00 -0.43 0.00 0.00 46.19 43.85 2ksh s LEU 64 CO 0.03 -0.28 0.28 -0.89 -0.29 0.00 0.00 176.35 175.20 2ksh s THR 65 N 1.22 5.28 -0.16 3.68 2.01 -1.06 -1.68 115.64 124.93 2ksh s THR 65 Ca -0.04 0.45 -0.19 0.00 0.31 0.00 0.00 61.69 62.21 2ksh s THR 65 Cb -0.20 -3.62 0.05 0.00 0.01 0.00 0.00 72.50 68.74 2ksh s THR 65 CO -0.02 0.30 0.52 -0.04 -0.69 0.00 0.00 174.62 174.69 2ksh s MET 66 N 1.19 0.68 0.73 4.92 -1.94 -0.16 -3.29 119.30 121.43 2ksh s MET 66 Ca 0.13 0.55 -0.15 0.00 -1.71 0.00 0.00 55.69 54.52 2ksh s MET 66 Cb -0.14 0.33 0.04 0.00 2.01 0.00 0.00 34.83 37.06 2ksh s MET 66 CO 0.06 -0.12 1.18 -1.21 -0.01 0.00 0.00 175.02 174.93 2ksh s GLU 67 N -0.12 2.21 0.21 2.03 2.02 -1.26 -3.72 118.70 120.07 2ksh s GLU 67 Ca -0.03 1.67 -0.14 0.00 0.02 0.00 0.00 54.97 56.49 2ksh s GLU 67 Cb -0.03 -1.85 0.23 0.00 0.10 0.00 0.00 34.13 32.57 2ksh s GLU 67 CO 0.02 -1.76 1.63 0.22 0.02 0.00 0.00 175.26 175.39 2ksh h ASP 68 N -0.32 -0.56 0.24 -0.19 1.82 -1.88 0.50 116.42 116.03 2ksh h ASP 68 Ca -0.47 0.18 -0.07 0.00 -0.39 0.00 0.00 57.03 56.28 2ksh h ASP 68 Cb 1.28 0.38 -0.01 0.00 0.68 0.00 0.00 39.33 41.66 2ksh h ASP 68 CO 0.50 -0.20 -0.29 0.44 -1.61 0.00 0.00 179.24 178.09 2ksh h ASP 69 N 0.00 0.09 0.10 2.28 3.32 -1.91 -2.82 116.42 117.49 2ksh h ASP 69 Ca 0.30 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 2ksh h ASP 69 Cb 0.45 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2ksh h ASP 69 CO -0.63 0.38 -0.05 0.40 -1.72 0.00 0.00 179.24 177.62 2ksh h ILE 70 N 0.08 1.12 -0.78 0.35 1.08 -0.73 -3.12 117.51 115.51 2ksh h ILE 70 Ca 0.01 -1.17 0.19 0.00 -0.39 0.00 0.00 64.86 63.50 2ksh h ILE 70 Cb 0.55 1.83 -0.04 0.00 -3.07 0.00 0.00 36.82 36.09 2ksh h ILE 70 CO 0.04 0.27 0.54 -0.03 -0.69 0.00 0.00 178.15 178.28 2ksh h MET 71 N -0.71 0.20 -0.65 2.37 4.05 -0.18 0.79 114.93 120.80 2ksh h MET 71 Ca -0.01 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.31 2ksh h MET 71 Cb 0.55 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.28 2ksh h MET 71 CO 0.02 0.13 0.07 0.35 0.23 0.00 0.00 176.91 177.72 2ksh h PHE 72 N 0.21 1.17 0.24 1.39 3.57 -1.47 0.65 116.94 122.69 2ksh h PHE 72 Ca 0.39 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 2ksh h PHE 72 Cb 1.20 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.63 2ksh h PHE 72 CO -0.00 0.99 -0.11 0.00 -2.23 0.00 0.00 178.31 176.96 2ksh h ALA 73 N 1.05 -0.32 0.00 2.41 0.00 -0.79 0.12 119.26 121.74 2ksh h ALA 73 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2ksh h ALA 73 Cb 0.48 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2ksh h ALA 73 CO 0.02 -0.58 0.00 0.82 0.00 0.00 0.00 179.25 179.51 2ksh h ILE 74 N -0.52 0.00 0.07 0.00 5.03 -1.44 0.39 117.51 121.03 2ksh h ILE 74 Ca -0.03 -0.38 -0.30 0.00 -0.12 0.00 0.00 64.86 64.03 2ksh h ILE 74 Cb 0.39 1.27 -0.03 0.00 -3.03 0.00 0.00 36.82 35.42 2ksh h ILE 74 CO 0.05 0.00 -1.61 1.23 -0.68 0.00 0.00 178.15 177.15 2ksh h GLY 75 N 2.01 0.16 -3.54 5.37 0.00 -0.56 -3.33 103.07 103.18 2ksh h GLY 75 Ca 0.00 -0.42 -0.25 0.00 0.00 0.00 0.00 47.33 46.66 2ksh h GLY 75 CO 0.00 0.36 0.32 -0.37 0.00 0.00 0.00 176.54 176.86 2ksh n THR 76 N -3.31 2.73 -1.74 4.70 5.66 0.41 -4.88 114.28 117.84 2ksh n THR 76 Ca -0.17 -1.49 -0.15 0.00 -3.05 0.00 0.00 64.05 59.19 2ksh n THR 76 Cb 1.04 -0.43 -0.05 0.00 -1.55 0.00 0.00 70.33 69.34 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 -0.28 0.82 0.00 1.09 0.00 -1.10 -4.88 105.19 100.84 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 n ALA 78 N -0.20 -0.06 -2.77 4.61 0.00 0.14 -4.89 120.51 117.33 2ksh n ALA 78 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.94 2ksh n ALA 78 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.06 3.90 0.11 0.00 1.43 -1.12 -4.99 118.68 115.96 2ksh s LEU 79 Ca 0.00 0.20 -0.31 0.00 -1.03 0.00 0.00 54.13 52.99 2ksh s LEU 79 Cb 0.00 -2.14 -0.08 0.00 0.03 0.00 0.00 46.19 44.00 2ksh s LEU 79 CO 0.00 0.32 1.36 -2.16 0.23 0.00 0.00 176.35 176.10 2ksh s PRO 80 N -1.43 4.34 0.58 1.29 0.04 -1.26 -3.79 135.00 134.77 2ksh s PRO 80 Ca 0.19 2.04 0.28 0.00 0.04 0.00 0.00 61.00 63.55 2ksh s PRO 80 Cb -0.12 -3.26 1.74 0.00 0.04 0.00 0.00 34.50 32.91 2ksh s PRO 80 CO 0.10 -0.41 2.23 0.00 0.04 0.00 0.00 177.00 178.96 2ksh h ALA 81 N 6.72 1.56 0.45 8.56 0.00 -1.96 -2.41 119.26 132.19 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 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ksh h ALA 81 CO 0.85 0.01 -0.22 -0.22 0.00 0.00 0.00 179.25 179.68 2ksh h LYS 82 N 0.00 -0.59 -0.09 0.00 3.64 -2.00 -2.54 116.57 114.99 2ksh h LYS 82 Ca -0.00 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2ksh h LYS 82 Cb 0.02 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 2ksh h LYS 82 CO 0.00 -0.28 -0.08 0.93 -2.27 0.00 0.00 179.45 177.76 2ksh h GLU 83 N -0.95 -0.09 -1.00 1.90 4.39 -1.90 -1.85 114.58 115.08 2ksh h GLU 83 Ca -0.06 0.01 0.22 0.00 0.34 0.00 0.00 59.36 59.86 2ksh h GLU 83 Cb 0.58 0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 29.14 2ksh h GLU 83 CO 0.10 -0.06 0.62 0.00 -1.16 0.00 0.00 179.01 178.51 2ksh h ALA 84 N 0.98 1.84 -0.22 3.43 0.00 -1.50 0.33 119.26 124.11 2ksh h ALA 84 Ca 0.06 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2ksh h ALA 84 Cb 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2ksh h ALA 84 CO -0.15 -0.24 -0.29 1.98 0.00 0.00 0.00 179.25 180.55 2ksh h MET 85 N 0.63 0.44 0.00 0.00 -1.53 -0.90 -1.90 114.93 111.66 2ksh h MET 85 Ca 0.59 -0.18 -0.05 0.00 -3.44 0.00 0.00 59.70 56.63 2ksh h MET 85 Cb 1.11 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 32.13 2ksh h MET 85 CO -0.38 0.69 -0.24 0.00 0.14 0.00 0.00 176.91 177.12 2ksh h ALA 86 N 1.31 0.94 -0.31 0.39 0.00 0.13 -2.82 119.26 118.90 2ksh h ALA 86 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2ksh h ALA 86 Cb 0.71 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2ksh h ALA 86 CO 0.05 0.30 0.00 1.04 0.00 0.00 0.00 179.25 180.65 2ksh n GLN 87 N -3.30 1.77 -1.42 0.00 6.02 -0.35 -4.87 117.38 115.22 2ksh n GLN 87 Ca 0.01 -1.14 -0.15 0.00 -0.01 0.00 0.00 57.00 55.71 2ksh n GLN 87 Cb 0.50 -1.27 -0.06 0.00 1.02 0.00 0.00 30.24 30.43 2ksh n GLN 87 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2ksh n ASP 88 N 0.42 -5.55 -0.50 1.08 8.00 -1.07 -4.80 116.55 114.13 2ksh n ASP 88 Ca 0.11 0.36 0.13 0.00 0.71 0.00 0.00 54.79 56.10 2ksh n ASP 88 Cb 0.28 -4.33 0.50 0.00 -0.02 0.00 0.00 41.12 37.54 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 -1.52 1.68 -3.59 -1.24 5.02 -0.75 -4.89 118.16 112.87 2ksh n LYS 89 Ca -0.15 -1.00 -0.11 0.00 -2.02 0.00 0.00 58.31 55.03 2ksh n LYS 89 Cb 0.61 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 34.10 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 -1.96 0.65 0.28 1.97 0.23 -1.20 -4.71 119.30 114.56 2ksh s MET 90 Ca 0.37 0.32 0.04 0.00 -1.03 0.00 0.00 55.69 55.40 2ksh s MET 90 Cb 0.20 0.31 -0.06 0.00 -1.53 0.00 0.00 34.83 33.75 2ksh s MET 90 CO 0.32 -0.17 0.00 -1.21 -2.03 0.00 0.00 175.02 171.94 2ksh s GLU 91 N -0.68 1.51 -0.04 3.16 0.41 -1.21 -4.36 118.70 117.48 2ksh s GLU 91 Ca -0.02 -1.79 -0.08 0.00 -0.41 0.00 0.00 54.97 52.67 2ksh s GLU 91 Cb -0.02 -0.85 0.01 0.00 -1.78 0.00 0.00 34.13 31.49 2ksh s GLU 91 CO 0.01 -0.09 0.20 0.08 -0.49 0.00 0.00 175.26 174.96 2ksh s VAL 92 N -3.26 0.03 0.08 2.63 1.01 -1.26 -2.58 120.40 117.06 2ksh s VAL 92 Ca 0.32 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.07 2ksh s VAL 92 Cb 0.06 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 2ksh s VAL 92 CO 0.12 -0.16 -0.16 -0.62 0.00 0.00 0.00 175.10 174.28 2ksh s ASP 93 N -0.56 1.97 0.00 3.32 2.15 -0.08 -4.95 116.67 118.52 2ksh s ASP 93 Ca -0.07 -0.65 0.00 0.00 0.43 0.00 0.00 52.55 52.27 2ksh s ASP 93 Cb -0.04 -0.08 0.00 0.00 -0.30 0.00 0.00 42.92 42.50 2ksh s ASP 93 CO 0.01 -0.04 0.00 0.61 -0.17 0.00 0.00 175.17 175.59 2ksh n GLY 94 N 1.18 0.14 3.25 2.66 0.00 -1.26 -0.04 105.19 111.11 2ksh n GLY 94 Ca -0.20 -1.31 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 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 2.52 0.54 1.61 -1.52 -1.24 -4.95 119.66 116.62 2ksh s GLN 95 Ca 0.00 -1.44 0.36 0.00 -1.95 0.00 0.00 55.36 52.33 2ksh s GLN 95 Cb 0.00 -3.67 1.54 0.00 -0.22 0.00 0.00 33.01 30.66 2ksh s GLN 95 CO 0.00 -0.90 1.81 0.28 -0.25 0.00 0.00 175.29 176.23 2ksh h VAL 96 N 6.15 0.41 -0.10 1.09 2.07 -1.96 0.27 116.25 124.18 2ksh h VAL 96 Ca -0.22 -0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.16 2ksh h VAL 96 Cb 1.08 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2ksh h VAL 96 CO 0.71 0.00 -0.49 1.05 0.02 0.00 0.00 177.57 178.86 2ksh h GLU 97 N 0.01 0.51 0.13 1.57 4.11 -2.00 -3.18 114.58 115.73 2ksh h GLU 97 Ca 0.56 -0.41 0.02 0.00 0.07 0.00 0.00 59.36 59.60 2ksh h GLU 97 Cb 2.22 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 31.51 2ksh h GLU 97 CO -0.02 1.04 -0.40 -0.07 0.07 0.00 0.00 179.01 179.63 2ksh h LEU 98 N 0.10 -1.18 -1.97 3.06 -0.00 -0.89 -0.16 115.31 114.27 2ksh h LEU 98 Ca -0.03 0.13 0.20 0.00 -0.00 0.00 0.00 57.88 58.17 2ksh h LEU 98 Cb 1.14 0.44 -0.03 0.00 -0.00 0.00 0.00 40.66 42.21 2ksh h LEU 98 CO 0.10 -0.48 0.55 -0.29 -0.00 0.00 0.00 178.44 178.32 2ksh h ILE 99 N -0.64 0.51 -0.58 1.22 2.10 -1.59 0.18 117.51 118.70 2ksh h ILE 99 Ca 0.02 0.00 -0.09 0.00 1.08 0.00 0.00 64.86 65.87 2ksh h ILE 99 Cb 0.67 0.60 -0.02 0.00 -1.09 0.00 0.00 36.82 36.97 2ksh h ILE 99 CO -0.23 0.00 0.01 0.15 -1.08 0.00 0.00 178.15 177.00 2ksh h PHE 100 N 0.00 1.08 0.00 2.19 3.57 -1.01 -2.19 116.94 120.58 2ksh h PHE 100 Ca 0.32 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2ksh h PHE 100 Cb 1.41 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.87 2ksh h PHE 100 CO 0.00 0.95 0.00 -0.07 -2.23 0.00 0.00 178.31 176.96 2ksh h LEU 101 N 0.92 0.00 0.18 0.59 -0.00 -0.36 -2.86 115.31 113.78 2ksh h LEU 101 Ca 0.17 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.81 2ksh h LEU 101 Cb 0.52 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.20 2ksh h LEU 101 CO 0.03 0.00 -1.04 -0.07 -0.00 0.00 0.00 178.44 177.36 2ksh h LEU 102 N 0.00 0.61 -0.80 1.67 3.38 -1.30 -3.17 115.31 115.70 2ksh h LEU 102 Ca 0.00 -0.94 0.08 0.00 0.09 0.00 0.00 57.88 57.11 2ksh h LEU 102 Cb 0.36 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 40.81 2ksh h LEU 102 CO 0.00 1.50 -0.45 -0.62 0.09 0.00 0.00 178.44 178.96 2ksh n GLU 103 N -3.99 -0.33 0.13 1.13 1.02 -1.08 0.89 120.64 118.42 2ksh n GLU 103 Ca -0.15 1.21 -0.01 0.00 -0.02 0.00 0.00 57.16 58.20 2ksh n GLU 103 Cb 0.92 -1.79 0.24 0.00 -0.02 0.00 0.00 31.44 30.79 2ksh n GLU 103 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2ksh h PRO 104 N 0.00 0.11 -0.13 3.49 0.13 -1.71 -2.96 132.00 130.93 2ksh h PRO 104 Ca 0.15 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 65.25 2ksh h PRO 104 Cb 0.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 2ksh h PRO 104 CO -0.76 0.56 0.09 0.35 -0.23 0.00 0.00 178.00 178.02 2ksh h PHE 105 N 0.09 0.04 -0.30 1.56 3.57 0.53 -1.01 116.94 121.42 2ksh h PHE 105 Ca 0.00 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 2ksh h PHE 105 Cb 0.87 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 2ksh h PHE 105 CO 0.01 0.02 0.28 0.82 -2.23 0.00 0.00 178.31 177.21 2ksh h ILE 106 N 0.04 0.55 -0.02 1.41 2.04 -1.00 0.11 117.51 120.65 2ksh h ILE 106 Ca 0.06 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.85 2ksh h ILE 106 Cb 0.19 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2ksh h ILE 106 CO -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 178.15 177.84 2ksh h ALA 107 N 1.72 1.46 0.81 1.87 0.00 -1.37 -3.18 119.26 120.57 2ksh h ALA 107 Ca 0.14 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2ksh h ALA 107 Cb 0.71 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2ksh h ALA 107 CO -0.00 0.40 -0.42 1.03 0.00 0.00 0.00 179.25 180.26 2ksh h SER 108 N 0.03 -1.03 -3.64 0.00 0.87 -0.91 -3.40 113.55 105.48 2ksh h SER 108 Ca 0.00 0.04 -0.62 0.00 -1.23 0.00 0.00 61.79 59.99 2ksh h SER 108 Cb 0.56 0.28 -0.38 0.00 -0.44 0.00 0.00 62.40 62.41 2ksh h SER 108 CO 0.04 -0.70 -0.78 -1.48 -0.53 0.00 0.00 176.83 173.39 2ksh s LEU 109 N -10.04 2.87 0.00 2.23 2.34 -1.20 -5.16 118.68 109.72 2ksh s LEU 109 Ca -0.19 -1.33 0.00 0.00 0.06 0.00 0.00 54.13 52.67 2ksh s LEU 109 Cb 0.03 -1.25 0.00 0.00 -0.56 0.00 0.00 46.19 44.41 2ksh s LEU 109 CO 0.61 -0.26 0.00 1.17 -1.06 0.00 0.00 176.35 176.81