#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 3.22 0.07 3.17 1.04 -1.26 -5.12 113.70 114.83 2ksh s SER 2 Ca 0.00 -0.80 0.10 0.00 0.48 0.00 0.00 55.95 55.72 2ksh s SER 2 Cb 0.00 -1.19 -0.03 0.00 0.10 0.00 0.00 66.02 64.90 2ksh s SER 2 CO 0.00 -0.14 -0.26 -0.76 0.98 0.00 0.00 173.24 173.06 2ksh s LEU 3 N 1.44 2.26 0.34 2.42 1.43 -1.26 -5.03 118.68 120.28 2ksh s LEU 3 Ca -0.00 -0.63 0.04 0.00 -1.03 0.00 0.00 54.13 52.50 2ksh s LEU 3 Cb -0.16 -1.29 0.63 0.00 0.03 0.00 0.00 46.19 45.40 2ksh s LEU 3 CO -0.08 0.23 1.92 0.11 0.23 0.00 0.00 176.35 178.76 2ksh h LYS 4 N 4.45 0.63 -0.12 1.70 1.79 -2.00 -1.74 116.57 121.28 2ksh h LYS 4 Ca -0.48 -0.10 0.03 0.00 -2.18 0.00 0.00 60.65 57.93 2ksh h LYS 4 Cb 1.15 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2ksh h LYS 4 CO 0.42 0.55 0.16 0.66 -1.08 0.00 0.00 179.45 180.16 2ksh h SER 5 N 0.62 0.00 -0.87 0.86 4.64 -1.96 -1.34 113.55 115.49 2ksh h SER 5 Ca 0.15 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.61 2ksh h SER 5 Cb 0.18 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.20 2ksh h SER 5 CO -0.01 0.00 0.56 -0.78 -0.87 0.00 0.00 176.83 175.74 2ksh h ASP 6 N 0.00 0.63 -0.04 4.97 1.82 -1.72 -1.68 116.42 120.40 2ksh h ASP 6 Ca 0.06 0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.73 2ksh h ASP 6 Cb 0.37 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 40.29 2ksh h ASP 6 CO -0.00 0.33 0.01 -0.33 -1.61 0.00 0.00 179.24 177.64 2ksh h GLU 7 N 0.67 0.07 -0.19 0.28 3.07 -1.42 -1.62 114.58 115.44 2ksh h GLU 7 Ca 0.43 -0.01 0.05 0.00 -0.50 0.00 0.00 59.36 59.33 2ksh h GLU 7 Cb 0.71 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.56 2ksh h GLU 7 CO -0.19 0.24 -0.12 0.28 -1.40 0.00 0.00 179.01 177.81 2ksh h VAL 8 N -0.11 0.64 -0.71 3.13 2.07 -1.45 -0.29 116.25 119.53 2ksh h VAL 8 Ca 0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.56 2ksh h VAL 8 Cb 0.20 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2ksh h VAL 8 CO -0.00 0.00 0.47 -0.26 0.02 0.00 0.00 177.57 177.80 2ksh h PHE 9 N -0.12 0.86 -0.24 1.57 0.04 -1.36 0.11 116.94 117.80 2ksh h PHE 9 Ca 0.11 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 2ksh h PHE 9 Cb 0.28 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 2ksh h PHE 9 CO -0.27 0.52 0.05 0.00 -0.60 0.00 0.00 178.31 178.01 2ksh h ALA 10 N 1.57 0.32 -0.49 2.45 0.00 -0.27 0.16 119.26 122.99 2ksh h ALA 10 Ca 0.27 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2ksh h ALA 10 Cb -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2ksh h ALA 10 CO -0.07 -0.01 -0.02 0.87 0.00 0.00 0.00 179.25 180.01 2ksh h LYS 11 N 0.21 0.89 -0.03 0.00 1.57 -0.63 -2.71 116.57 115.87 2ksh h LYS 11 Ca 0.07 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 2ksh h LYS 11 Cb 0.30 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 2ksh h LYS 11 CO 0.00 0.93 -0.00 0.82 -0.57 0.00 0.00 179.45 180.64 2ksh h ILE 12 N 0.75 1.26 -0.95 1.86 2.04 -0.91 -2.77 117.51 118.79 2ksh h ILE 12 Ca 0.14 -0.78 0.19 0.00 1.00 0.00 0.00 64.86 65.41 2ksh h ILE 12 Cb 0.55 1.72 -0.08 0.00 -0.74 0.00 0.00 36.82 38.27 2ksh h ILE 12 CO 0.03 0.21 0.61 0.00 0.00 0.00 0.00 178.15 179.00 2ksh h ALA 13 N 0.69 1.97 -0.14 1.87 0.00 -0.68 0.26 119.26 123.24 2ksh h ALA 13 Ca 0.01 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2ksh h ALA 13 Cb 0.34 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2ksh h ALA 13 CO 0.00 -0.29 -0.40 0.87 0.00 0.00 0.00 179.25 179.44 2ksh h LYS 14 N 0.58 0.31 0.01 0.00 1.57 -1.33 -2.91 116.57 114.79 2ksh h LYS 14 Ca 0.51 -0.14 -0.20 0.00 -1.87 0.00 0.00 60.65 58.94 2ksh h LYS 14 Cb 1.03 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 2ksh h LYS 14 CO -0.26 0.66 -0.91 -0.09 -0.57 0.00 0.00 179.45 178.28 2ksh h ARG 15 N 0.26 0.19 0.00 3.15 9.65 -0.30 -3.06 114.38 124.27 2ksh h ARG 15 Ca 0.02 -0.22 0.00 0.00 -1.10 0.00 0.00 59.98 58.68 2ksh h ARG 15 Cb 0.82 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.47 2ksh h ARG 15 CO 0.07 0.98 0.00 1.28 2.80 0.00 0.00 179.97 185.09 2ksh n LEU 16 N -3.63 0.14 0.08 3.80 4.77 0.06 -2.23 117.00 120.00 2ksh n LEU 16 Ca -0.04 0.53 0.13 0.00 -0.03 0.00 0.00 56.01 56.60 2ksh n LEU 16 Cb 0.83 -0.50 0.45 0.00 -2.33 0.00 0.00 43.42 41.87 2ksh n LEU 16 CO 0.48 -0.25 0.90 -0.62 -1.33 0.00 0.00 177.39 176.57 2ksh n GLU 17 N -1.65 0.21 0.00 3.23 1.02 -1.12 -2.98 120.64 119.35 2ksh n GLU 17 Ca 0.04 0.17 0.12 0.00 -0.02 0.00 0.00 57.16 57.47 2ksh n GLU 17 Cb 0.22 -1.74 0.11 0.00 -0.02 0.00 0.00 31.44 30.01 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 -2.10 2.54 -4.72 1.62 7.64 -0.95 -4.98 113.62 112.68 2ksh n SER 18 Ca 0.06 -1.79 -0.42 0.00 1.01 0.00 0.00 58.87 57.73 2ksh n SER 18 Cb 0.41 0.14 -0.00 0.00 -1.01 0.00 0.00 64.21 63.75 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 0.80 2.03 -4.34 0.44 2.08 -1.16 -5.01 119.36 114.20 2ksh n ILE 19 Ca 0.13 -0.50 -0.20 0.00 0.56 0.00 0.00 62.75 62.74 2ksh n ILE 19 Cb 0.54 -1.67 -0.13 0.00 -0.75 0.00 0.00 39.64 37.63 2ksh n ILE 19 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2ksh s ASP 20 N -0.28 1.56 0.00 4.38 2.15 -1.26 -5.02 116.67 118.20 2ksh s ASP 20 Ca 0.55 -0.43 0.15 0.00 0.43 0.00 0.00 52.55 53.24 2ksh s ASP 20 Cb -0.54 -0.10 0.69 0.00 -0.30 0.00 0.00 42.92 42.67 2ksh s ASP 20 CO 0.62 0.03 1.43 -0.81 -0.17 0.00 0.00 175.17 176.27 2ksh n PRO 21 N 1.97 0.13 0.08 4.34 -0.04 -1.26 -2.08 135.00 138.14 2ksh n PRO 21 Ca -0.18 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.59 2ksh n PRO 21 Cb 0.55 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.61 2ksh n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ksh h ALA 22 N 2.62 0.56 -3.00 0.55 0.00 -2.01 -3.44 119.26 114.54 2ksh h ALA 22 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 2ksh h ALA 22 Cb 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 17.59 2ksh h ALA 22 CO 0.00 0.00 -0.69 1.21 0.00 0.00 0.00 179.25 179.77 2ksh s ASN 23 N -4.69 1.42 -0.03 0.00 3.84 -0.88 -5.13 114.94 109.47 2ksh s ASN 23 Ca 0.04 -0.11 -0.21 0.00 0.21 0.00 0.00 52.86 52.79 2ksh s ASN 23 Cb 0.12 0.07 0.07 0.00 -0.55 0.00 0.00 41.25 40.96 2ksh s ASN 23 CO 0.75 -0.29 0.93 -2.11 -2.79 0.00 0.00 177.10 173.58 2ksh n ARG 24 N 5.31 0.10 0.03 0.43 0.00 -1.26 -4.27 116.66 117.00 2ksh n ARG 24 Ca -0.05 -0.51 0.00 0.00 -0.00 0.00 0.00 57.85 57.29 2ksh n ARG 24 Cb 0.50 0.87 0.00 0.00 -0.00 0.00 0.00 32.46 33.82 2ksh n ARG 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2ksh n GLN 25 N -0.67 0.00 -3.64 2.89 6.02 -1.26 -5.14 117.38 115.58 2ksh n GLN 25 Ca 0.04 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.95 2ksh n GLN 25 Cb 0.41 -0.02 -0.07 0.00 1.02 0.00 0.00 30.24 31.59 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 -2.00 0.00 -0.20 5.09 0.11 -1.26 -5.16 120.40 116.98 2ksh s VAL 26 Ca 0.00 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.98 2ksh s VAL 26 Cb 0.00 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.94 2ksh s VAL 26 CO 0.00 0.00 0.42 -1.61 -3.33 0.00 0.00 175.10 170.58 2ksh s GLU 27 N 0.48 0.32 0.14 1.54 0.41 -1.26 -5.03 118.70 115.30 2ksh s GLU 27 Ca 0.01 1.03 0.02 0.00 -0.41 0.00 0.00 54.97 55.62 2ksh s GLU 27 Cb -0.05 0.32 -0.04 0.00 -1.78 0.00 0.00 34.13 32.58 2ksh s GLU 27 CO -0.09 -0.25 -0.03 -1.01 -0.49 0.00 0.00 175.26 173.39 2ksh s HIS 28 N 2.59 1.09 0.11 1.61 3.76 -1.26 -5.05 115.29 118.14 2ksh s HIS 28 Ca -0.02 -0.95 -0.31 0.00 -0.15 0.00 0.00 55.06 53.63 2ksh s HIS 28 Cb -0.12 -0.62 -0.10 0.00 1.11 0.00 0.00 32.58 32.86 2ksh s HIS 28 CO -0.13 -0.16 1.76 0.08 -0.85 0.00 0.00 174.74 175.44 2ksh s VAL 29 N -3.61 2.70 -0.06 -0.90 1.01 -1.26 -4.96 120.40 113.32 2ksh s VAL 29 Ca 0.18 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.41 2ksh s VAL 29 Cb 0.05 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.30 2ksh s VAL 29 CO 0.00 0.00 -0.15 -0.31 0.00 0.00 0.00 175.10 174.65 2ksh s TYR 30 N 2.63 1.60 -0.03 5.22 2.02 -1.25 -2.75 117.35 124.79 2ksh s TYR 30 Ca 0.78 -0.54 -0.18 0.00 -0.37 0.00 0.00 57.07 56.76 2ksh s TYR 30 Cb -0.44 -1.12 -0.05 0.00 -0.40 0.00 0.00 41.96 39.95 2ksh s TYR 30 CO 0.35 -0.24 0.50 0.21 -1.57 0.00 0.00 175.55 174.80 2ksh s LYS 31 N 0.38 4.20 -0.18 -0.62 2.20 -0.93 -3.22 119.74 121.57 2ksh s LYS 31 Ca -0.10 0.55 -0.02 0.00 -0.36 0.00 0.00 55.97 56.04 2ksh s LYS 31 Cb -0.14 -3.32 -0.01 0.00 -1.51 0.00 0.00 37.83 32.85 2ksh s LYS 31 CO 0.03 0.43 -0.09 -0.06 -0.36 0.00 0.00 175.35 175.30 2ksh s PHE 32 N -0.31 2.89 -0.22 4.03 0.08 0.13 -0.12 117.98 124.46 2ksh s PHE 32 Ca 0.27 -0.87 -0.01 0.00 0.12 0.00 0.00 56.93 56.44 2ksh s PHE 32 Cb -0.17 -1.98 0.02 0.00 -0.57 0.00 0.00 43.02 40.32 2ksh s PHE 32 CO 0.14 -0.42 -0.11 1.03 -0.10 0.00 0.00 175.22 175.75 2ksh s ARG 33 N 0.98 2.98 -0.31 0.44 0.52 -0.73 0.18 118.95 123.02 2ksh s ARG 33 Ca -0.01 -0.86 -0.05 0.00 -0.52 0.00 0.00 55.73 54.29 2ksh s ARG 33 Cb -0.15 -2.82 0.03 0.00 0.52 0.00 0.00 34.95 32.53 2ksh s ARG 33 CO -0.01 -0.29 0.06 0.42 0.02 0.00 0.00 175.30 175.50 2ksh s ILE 34 N 1.33 3.57 -0.03 1.52 1.01 0.11 -0.58 121.20 128.13 2ksh s ILE 34 Ca 0.03 -1.06 -0.06 0.00 0.00 0.00 0.00 60.65 59.56 2ksh s ILE 34 Cb -0.15 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 2ksh s ILE 34 CO -0.08 -0.06 0.21 0.42 0.00 0.00 0.00 174.94 175.44 2ksh s THR 35 N 1.39 5.39 -0.65 2.92 -4.23 -1.26 -1.53 115.64 117.68 2ksh s THR 35 Ca -0.01 0.09 -0.22 0.00 -1.18 0.00 0.00 61.69 60.37 2ksh s THR 35 Cb -0.19 -3.52 0.07 0.00 1.34 0.00 0.00 72.50 70.21 2ksh s THR 35 CO 0.01 0.42 0.94 -1.58 -0.54 0.00 0.00 174.62 173.88 2ksh s GLN 36 N -1.61 3.11 0.00 3.99 0.74 0.23 -3.70 119.66 122.42 2ksh s GLN 36 Ca 0.24 -0.85 0.00 0.00 0.05 0.00 0.00 55.36 54.81 2ksh s GLN 36 Cb -0.13 -4.22 0.00 0.00 1.10 0.00 0.00 33.01 29.76 2ksh s GLN 36 CO 0.14 -1.78 0.00 0.41 -0.55 0.00 0.00 175.29 173.51 2ksh n GLY 37 N 5.31 1.31 0.00 2.59 0.00 -1.26 -3.01 105.19 110.14 2ksh n GLY 37 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 3.17 -0.02 0.00 -1.26 -5.13 105.19 101.95 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 2.68 -0.07 1.61 -2.85 -1.16 -5.01 119.74 114.94 2ksh s LYS 39 Ca 0.00 -0.76 -0.36 0.00 -1.00 0.00 0.00 55.97 53.85 2ksh s LYS 39 Cb 0.00 -2.06 -0.13 0.00 -2.06 0.00 0.00 37.83 33.57 2ksh s LYS 39 CO 0.00 0.15 1.74 0.28 0.10 0.00 0.00 175.35 177.62 2ksh n VAL 40 N 3.55 0.35 -0.66 1.79 0.31 -1.26 0.76 118.33 123.18 2ksh n VAL 40 Ca -0.20 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 2ksh n VAL 40 Cb 0.53 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 2ksh n VAL 40 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2ksh n VAL 41 N 4.43 0.00 -3.58 2.52 3.14 -0.97 -4.80 118.33 119.08 2ksh n VAL 41 Ca 0.22 -0.15 -0.15 0.00 -2.96 0.00 0.00 64.34 61.29 2ksh n VAL 41 Cb 0.25 1.66 -0.06 0.00 -1.06 0.00 0.00 33.84 34.62 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 -0.01 0.89 -0.05 1.45 2.47 -0.58 -4.99 119.74 118.92 2ksh s LYS 42 Ca 0.00 0.59 -0.02 0.00 -1.56 0.00 0.00 55.97 54.98 2ksh s LYS 42 Cb 0.00 0.43 0.04 0.00 -1.46 0.00 0.00 37.83 36.83 2ksh s LYS 42 CO 0.00 -0.20 0.09 0.54 0.16 0.00 0.00 175.35 175.94 2ksh s ASN 43 N -0.42 0.39 0.05 1.43 2.20 -1.26 -0.72 114.94 116.61 2ksh s ASN 43 Ca -0.05 0.17 0.08 0.00 -0.94 0.00 0.00 52.86 52.12 2ksh s ASN 43 Cb -0.03 0.04 -0.03 0.00 -2.00 0.00 0.00 41.25 39.23 2ksh s ASN 43 CO 0.04 -0.18 -0.21 0.26 -2.94 0.00 0.00 177.10 174.07 2ksh s TRP 44 N 1.57 2.47 -0.05 1.54 0.52 0.13 -3.72 118.94 121.39 2ksh s TRP 44 Ca -0.04 -0.31 0.02 0.00 0.02 0.00 0.00 56.10 55.79 2ksh s TRP 44 Cb -0.12 -1.42 0.01 0.00 -1.15 0.00 0.00 33.47 30.78 2ksh s TRP 44 CO -0.04 0.23 -0.11 0.08 0.02 0.00 0.00 176.95 177.13 2ksh s VAL 45 N -0.91 0.97 -0.20 4.03 1.01 -1.02 0.18 120.40 124.46 2ksh s VAL 45 Ca 0.14 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 2ksh s VAL 45 Cb -0.10 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 2ksh s VAL 45 CO 0.05 0.31 0.01 0.00 0.00 0.00 0.00 175.10 175.46 2ksh s MET 46 N 0.52 3.64 0.00 2.72 0.23 -1.20 -1.85 119.30 123.37 2ksh s MET 46 Ca -0.10 -0.51 0.00 0.00 -1.03 0.00 0.00 55.69 54.05 2ksh s MET 46 Cb -0.13 -3.10 0.00 0.00 -1.53 0.00 0.00 34.83 30.07 2ksh s MET 46 CO 0.02 0.02 0.00 -3.47 -2.03 0.00 0.00 175.02 169.56 2ksh n ASP 47 N 4.22 -0.10 0.00 -1.18 -0.08 -0.05 -3.87 116.55 115.50 2ksh n ASP 47 Ca -0.17 -0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 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 0.09 -2.67 0.00 -1.26 -4.52 117.00 108.64 2ksh n LEU 48 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 56.01 55.95 2ksh n LEU 48 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 43.42 43.42 2ksh n LEU 48 CO 0.00 -0.04 0.25 0.50 0.00 0.00 0.00 177.39 178.11 2ksh h LYS 49 N 0.00 0.07 0.00 1.96 3.11 -1.97 -3.28 116.57 116.46 2ksh h LYS 49 Ca 0.00 -0.09 -0.12 0.00 -2.81 0.00 0.00 60.65 57.63 2ksh h LYS 49 Cb 0.00 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.23 2ksh h LYS 49 CO 0.00 0.90 -1.88 -1.71 -2.81 0.00 0.00 179.45 173.95 2ksh n ASN 50 N -3.57 0.25 -1.70 4.20 5.15 -1.26 -5.00 115.26 113.34 2ksh n ASN 50 Ca -0.02 0.11 -0.11 0.00 -0.60 0.00 0.00 54.58 53.96 2ksh n ASN 50 Cb 0.82 1.23 0.02 0.00 -0.53 0.00 0.00 39.78 41.33 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 -2.55 -1.10 -4.16 3.44 0.31 -1.24 -5.03 118.33 108.01 2ksh n VAL 51 Ca -0.12 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.06 2ksh n VAL 51 Cb 0.77 -2.34 -0.14 0.00 -0.91 0.00 0.00 33.84 31.22 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 -5.21 0.48 -0.04 5.55 2.20 -1.26 -4.65 119.74 116.81 2ksh s LYS 52 Ca 0.18 -0.34 0.07 0.00 -0.36 0.00 0.00 55.97 55.52 2ksh s LYS 52 Cb -0.08 -0.42 -0.02 0.00 -1.51 0.00 0.00 37.83 35.81 2ksh s LYS 52 CO 0.22 0.11 -0.25 -0.48 -0.36 0.00 0.00 175.35 174.59 2ksh s LEU 53 N -0.48 2.08 0.30 5.43 2.34 -1.26 -0.87 118.68 126.21 2ksh s LEU 53 Ca -0.01 -0.48 -0.04 0.00 0.06 0.00 0.00 54.13 53.67 2ksh s LEU 53 Cb -0.04 -1.36 -0.01 0.00 -0.56 0.00 0.00 46.19 44.22 2ksh s LEU 53 CO -0.00 0.29 0.40 0.68 -1.06 0.00 0.00 176.35 176.66 2ksh s VAL 54 N -0.44 0.00 -0.64 1.48 -7.23 -0.77 -4.96 120.40 107.84 2ksh s VAL 54 Ca 0.05 -1.65 -0.26 0.00 -1.81 0.00 0.00 61.98 58.31 2ksh s VAL 54 Cb -0.11 -2.50 -0.07 0.00 0.56 0.00 0.00 36.38 34.25 2ksh s VAL 54 CO 0.01 0.00 2.21 -1.61 -0.31 0.00 0.00 175.10 175.39 2ksh s GLU 55 N -3.49 2.19 0.21 4.82 2.02 -1.26 -2.44 118.70 120.74 2ksh s GLU 55 Ca 0.31 0.79 -0.11 0.00 0.02 0.00 0.00 54.97 55.98 2ksh s GLU 55 Cb 0.01 -4.64 -0.00 0.00 0.10 0.00 0.00 34.13 29.60 2ksh s GLU 55 CO 0.17 -3.39 0.38 0.45 0.02 0.00 0.00 175.26 172.89 2ksh s SER 56 N 10.32 -0.05 -0.05 -0.19 0.15 -1.24 -4.94 113.70 117.70 2ksh s SER 56 Ca 0.85 -0.88 0.07 0.00 0.70 0.00 0.00 55.95 56.69 2ksh s SER 56 Cb -0.14 0.51 0.11 0.00 -1.71 0.00 0.00 66.02 64.80 2ksh s SER 56 CO 0.17 -1.01 1.05 -0.67 1.20 0.00 0.00 173.24 173.98 2ksh n ASP 57 N -0.30 2.07 -4.51 5.45 2.03 -1.26 -3.37 116.55 116.65 2ksh n ASP 57 Ca -0.05 -2.39 -0.37 0.00 0.52 0.00 0.00 54.79 52.50 2ksh n ASP 57 Cb 0.63 -0.17 0.05 0.00 -0.72 0.00 0.00 41.12 40.91 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 -0.84 -0.55 -4.15 1.67 2.03 -1.26 -4.96 116.55 108.50 2ksh n ASP 58 Ca 0.06 0.72 -0.29 0.00 0.52 0.00 0.00 54.79 55.80 2ksh n ASP 58 Cb 0.41 -1.25 0.23 0.00 -0.72 0.00 0.00 41.12 39.80 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 -1.71 0.19 0.12 -1.67 0.00 -1.26 -4.94 121.76 112.50 2ksh s ALA 59 Ca 0.70 -0.60 -0.24 0.00 0.00 0.00 0.00 51.96 51.83 2ksh s ALA 59 Cb -0.41 -3.04 0.08 0.00 0.00 0.00 0.00 23.12 19.75 2ksh s ALA 59 CO 0.53 -3.64 0.67 0.00 0.00 0.00 0.00 175.76 173.32 2ksh s ALA 60 N -2.75 -1.64 0.61 0.00 0.00 -1.26 -4.93 121.76 111.78 2ksh s ALA 60 Ca 0.68 0.59 0.32 0.00 0.00 0.00 0.00 51.96 53.55 2ksh s ALA 60 Cb -0.16 0.78 1.84 0.00 0.00 0.00 0.00 23.12 25.57 2ksh s ALA 60 CO 0.59 -0.76 2.19 0.93 0.00 0.00 0.00 175.76 178.71 2ksh h GLU 61 N 2.00 0.00 -3.29 0.00 4.39 -1.90 -3.44 114.58 112.34 2ksh h GLU 61 Ca -0.31 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.36 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 0.36 0.00 0.01 0.00 -1.16 0.00 0.00 179.01 178.22 2ksh s ALA 62 N -4.53 -1.06 -0.14 3.43 0.00 -1.25 -4.23 121.76 113.98 2ksh s ALA 62 Ca -0.05 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.93 2ksh s ALA 62 Cb 0.14 0.78 0.01 0.00 0.00 0.00 0.00 23.12 24.06 2ksh s ALA 62 CO 0.51 -0.72 -0.21 0.99 0.00 0.00 0.00 175.76 176.33 2ksh s THR 63 N -3.82 1.99 -0.32 0.00 2.01 -0.96 -2.18 115.64 112.36 2ksh s THR 63 Ca 0.05 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 61.08 2ksh s THR 63 Cb 0.00 -1.77 0.06 0.00 0.01 0.00 0.00 72.50 70.80 2ksh s THR 63 CO -0.09 0.54 0.04 -0.22 -0.69 0.00 0.00 174.62 174.20 2ksh s LEU 64 N 0.88 4.16 -0.25 4.42 2.96 0.83 0.08 118.68 131.76 2ksh s LEU 64 Ca -0.06 -1.37 -0.15 0.00 -0.22 0.00 0.00 54.13 52.33 2ksh s LEU 64 Cb -0.15 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 2ksh s LEU 64 CO -0.03 -0.31 0.37 -0.89 -1.32 0.00 0.00 176.35 174.17 2ksh s THR 65 N 1.26 5.19 -0.10 3.68 2.01 0.61 -1.77 115.64 126.52 2ksh s THR 65 Ca -0.03 0.60 -0.05 0.00 0.31 0.00 0.00 61.69 62.52 2ksh s THR 65 Cb -0.20 -3.70 0.04 0.00 0.01 0.00 0.00 72.50 68.65 2ksh s THR 65 CO -0.01 0.19 0.23 -0.04 -0.69 0.00 0.00 174.62 174.30 2ksh s MET 66 N 1.82 0.20 1.03 4.92 -1.94 0.26 -2.32 119.30 123.27 2ksh s MET 66 Ca 0.16 0.47 -0.12 0.00 -1.71 0.00 0.00 55.69 54.49 2ksh s MET 66 Cb -0.15 -0.08 0.21 0.00 2.01 0.00 0.00 34.83 36.82 2ksh s MET 66 CO 0.09 -0.14 1.07 -1.21 -0.01 0.00 0.00 175.02 174.83 2ksh s GLU 67 N 1.02 0.16 0.02 2.03 0.41 -1.26 -3.79 118.70 117.28 2ksh s GLU 67 Ca -0.07 0.90 -0.26 0.00 -0.41 0.00 0.00 54.97 55.13 2ksh s GLU 67 Cb -0.09 -1.68 -0.17 0.00 -1.78 0.00 0.00 34.13 30.42 2ksh s GLU 67 CO -0.06 -3.02 1.33 0.22 -0.49 0.00 0.00 175.26 173.24 2ksh h ASP 68 N -2.12 -0.30 -0.29 -0.19 3.58 -1.91 0.78 116.42 115.98 2ksh h ASP 68 Ca -0.54 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 56.71 2ksh h ASP 68 Cb 1.31 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 42.42 2ksh h ASP 68 CO 0.51 0.02 0.13 0.44 -2.88 0.00 0.00 179.24 177.47 2ksh h ASP 69 N -0.65 0.43 0.01 2.28 3.32 -1.93 -1.83 116.42 118.05 2ksh h ASP 69 Ca -0.04 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2ksh h ASP 69 Cb 0.46 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2ksh h ASP 69 CO 0.06 0.40 -0.01 0.40 -1.72 0.00 0.00 179.24 178.37 2ksh h ILE 70 N 0.48 1.53 -0.90 0.35 5.03 -1.90 -3.25 117.51 118.85 2ksh h ILE 70 Ca 0.12 -1.97 0.19 0.00 -0.12 0.00 0.00 64.86 63.08 2ksh h ILE 70 Cb 0.11 2.80 -0.07 0.00 -3.03 0.00 0.00 36.82 36.63 2ksh h ILE 70 CO -0.01 0.49 0.59 -0.03 -0.68 0.00 0.00 178.15 178.50 2ksh h MET 71 N -0.91 0.44 -0.47 2.37 4.05 0.70 -0.24 114.93 120.88 2ksh h MET 71 Ca -0.00 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 2ksh h MET 71 Cb 0.81 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.49 2ksh h MET 71 CO 0.00 0.29 0.25 0.35 0.23 0.00 0.00 176.91 178.03 2ksh h PHE 72 N 0.45 0.65 -0.37 1.39 3.57 -1.41 -0.40 116.94 120.82 2ksh h PHE 72 Ca 0.47 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.99 2ksh h PHE 72 Cb 1.10 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.60 2ksh h PHE 72 CO -0.00 0.49 0.15 0.00 -2.23 0.00 0.00 178.31 176.72 2ksh h ALA 73 N 1.09 0.44 0.00 2.41 0.00 -1.08 0.14 119.26 122.28 2ksh h ALA 73 Ca 0.16 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2ksh h ALA 73 Cb 0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2ksh h ALA 73 CO -0.03 -0.24 -0.25 0.82 0.00 0.00 0.00 179.25 179.56 2ksh h ILE 74 N 0.31 0.71 0.14 0.00 5.03 -1.29 0.68 117.51 123.10 2ksh h ILE 74 Ca 0.17 -1.08 -0.29 0.00 -0.12 0.00 0.00 64.86 63.53 2ksh h ILE 74 Cb 0.12 1.69 0.02 0.00 -3.03 0.00 0.00 36.82 35.62 2ksh h ILE 74 CO -0.15 0.25 -1.27 1.23 -0.68 0.00 0.00 178.15 177.52 2ksh h GLY 75 N 1.64 0.56 -3.05 5.37 0.00 0.06 -3.26 103.07 104.38 2ksh h GLY 75 Ca -0.00 -1.26 -0.17 0.00 0.00 0.00 0.00 47.33 45.89 2ksh h GLY 75 CO 0.03 1.11 0.22 -1.30 0.00 0.00 0.00 176.54 176.60 2ksh n THR 76 N -3.70 2.20 -1.52 4.70 -2.24 0.40 -4.87 114.28 109.24 2ksh n THR 76 Ca -0.12 -1.13 -0.14 0.00 -2.27 0.00 0.00 64.05 60.38 2ksh n THR 76 Cb 1.01 -0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 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 -0.08 1.15 0.00 3.38 0.00 -1.08 -4.87 105.19 103.70 2ksh n GLY 77 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 0.32 -0.06 -2.84 4.61 0.00 0.23 -4.88 120.51 117.90 2ksh n ALA 78 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.95 2ksh n ALA 78 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.82 4.16 0.07 0.00 1.43 -1.03 -4.97 118.68 116.53 2ksh s LEU 79 Ca 0.00 0.32 -0.31 0.00 -1.03 0.00 0.00 54.13 53.11 2ksh s LEU 79 Cb 0.00 -2.23 -0.07 0.00 0.03 0.00 0.00 46.19 43.92 2ksh s LEU 79 CO 0.00 0.33 1.39 -2.16 0.23 0.00 0.00 176.35 176.14 2ksh s PRO 80 N -1.42 4.31 0.58 1.29 0.04 -1.26 -3.60 135.00 134.93 2ksh s PRO 80 Ca 0.20 2.03 0.28 0.00 0.04 0.00 0.00 61.00 63.54 2ksh s PRO 80 Cb -0.12 -3.37 1.56 0.00 0.04 0.00 0.00 34.50 32.60 2ksh s PRO 80 CO 0.10 -0.48 2.04 0.00 0.04 0.00 0.00 177.00 178.70 2ksh h ALA 81 N 7.20 2.01 0.26 8.56 0.00 -1.95 -1.92 119.26 133.41 2ksh h ALA 81 Ca -0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2ksh h ALA 81 Cb 1.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2ksh h ALA 81 CO 0.88 -0.43 -0.12 0.87 0.00 0.00 0.00 179.25 180.44 2ksh h LYS 82 N 0.00 -0.33 0.21 0.00 6.56 -1.98 -1.82 116.57 119.21 2ksh h LYS 82 Ca 0.14 0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.74 2ksh h LYS 82 Cb 0.70 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.44 2ksh h LYS 82 CO -0.00 -0.07 -0.11 0.93 -2.06 0.00 0.00 179.45 178.14 2ksh h GLU 83 N -0.57 -0.28 -0.84 3.15 4.39 -1.76 -0.03 114.58 118.64 2ksh h GLU 83 Ca -0.04 0.02 0.16 0.00 0.34 0.00 0.00 59.36 59.85 2ksh h GLU 83 Cb 0.41 0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 29.03 2ksh h GLU 83 CO 0.06 -0.19 0.40 0.00 -1.16 0.00 0.00 179.01 178.12 2ksh h ALA 84 N 0.50 1.27 -0.10 3.43 0.00 -1.49 0.34 119.26 123.21 2ksh h ALA 84 Ca -0.03 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 2ksh h ALA 84 Cb 0.23 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2ksh h ALA 84 CO 0.04 -0.18 -0.53 0.52 0.00 0.00 0.00 179.25 179.10 2ksh h MET 85 N 0.53 0.29 0.00 0.00 2.86 -1.00 -1.06 114.93 116.55 2ksh h MET 85 Ca 0.48 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.94 2ksh h MET 85 Cb 0.75 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.43 2ksh h MET 85 CO -0.41 0.76 -0.02 0.00 1.06 0.00 0.00 176.91 178.29 2ksh h ALA 86 N 1.21 0.99 -0.37 6.32 0.00 0.12 -2.96 119.26 124.57 2ksh h ALA 86 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ksh h ALA 86 Cb 1.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2ksh h ALA 86 CO 0.09 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.40 2ksh n GLN 87 N -3.11 2.53 -1.29 0.00 1.13 0.92 -4.87 117.38 112.70 2ksh n GLN 87 Ca 0.03 -1.62 -0.10 0.00 -1.94 0.00 0.00 57.00 53.36 2ksh n GLN 87 Cb 0.45 -1.60 -0.04 0.00 0.11 0.00 0.00 30.24 29.15 2ksh n GLN 87 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2ksh n ASP 88 N 0.55 -5.15 -0.27 1.08 -0.08 -1.12 -4.82 116.55 106.74 2ksh n ASP 88 Ca 0.15 0.25 0.12 0.00 -1.51 0.00 0.00 54.79 53.80 2ksh n ASP 88 Cb 0.55 -3.53 0.25 0.00 2.34 0.00 0.00 41.12 40.74 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 -1.44 0.80 -3.75 -0.67 5.02 -0.43 -4.88 118.16 112.81 2ksh n LYS 89 Ca -0.10 -0.54 -0.13 0.00 -2.02 0.00 0.00 58.31 55.52 2ksh n LYS 89 Cb 0.49 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.90 2ksh n LYS 89 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2ksh s MET 90 N -2.57 0.37 0.13 1.97 -1.94 -1.05 -4.51 119.30 111.71 2ksh s MET 90 Ca 0.21 0.48 0.07 0.00 -1.71 0.00 0.00 55.69 54.74 2ksh s MET 90 Cb 0.19 0.16 -0.04 0.00 2.01 0.00 0.00 34.83 37.15 2ksh s MET 90 CO 0.57 -0.06 -0.17 -1.21 -0.01 0.00 0.00 175.02 174.14 2ksh s GLU 91 N 0.31 1.12 -0.08 2.03 8.01 -0.98 -4.47 118.70 124.65 2ksh s GLU 91 Ca -0.01 -1.26 -0.08 0.00 0.01 0.00 0.00 54.97 53.63 2ksh s GLU 91 Cb -0.03 -1.15 0.02 0.00 -4.31 0.00 0.00 34.13 28.66 2ksh s GLU 91 CO -0.01 0.24 0.22 0.54 0.01 0.00 0.00 175.26 176.26 2ksh s VAL 92 N -1.83 0.01 0.46 2.63 0.11 -1.26 -0.28 120.40 120.23 2ksh s VAL 92 Ca 0.10 -0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.12 2ksh s VAL 92 Cb -0.07 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 2ksh s VAL 92 CO 0.04 -0.03 0.02 -0.62 -3.33 0.00 0.00 175.10 171.18 2ksh s ASP 93 N -0.02 3.84 0.09 3.54 2.15 0.11 -4.96 116.67 121.42 2ksh s ASP 93 Ca -0.01 -1.54 0.00 0.00 0.43 0.00 0.00 52.55 51.42 2ksh s ASP 93 Cb -0.02 0.18 0.00 0.00 -0.30 0.00 0.00 42.92 42.77 2ksh s ASP 93 CO 0.01 -0.71 0.00 0.61 -0.17 0.00 0.00 175.17 174.91 2ksh n GLY 94 N -1.10 1.00 3.13 2.66 0.00 -1.26 -2.28 105.19 107.34 2ksh n GLY 94 Ca -0.12 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 2ksh n GLY 94 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ksh s GLN 95 N 0.00 2.59 0.40 1.61 2.00 -1.26 -4.99 119.66 120.01 2ksh s GLN 95 Ca 0.00 -1.12 0.21 0.00 -2.00 0.00 0.00 55.36 52.45 2ksh s GLN 95 Cb 0.00 -2.88 1.20 0.00 0.80 0.00 0.00 33.01 32.12 2ksh s GLN 95 CO 0.00 -0.45 1.70 0.28 -0.50 0.00 0.00 175.29 176.32 2ksh h VAL 96 N 6.38 0.34 0.31 1.34 2.07 -1.95 0.73 116.25 125.47 2ksh h VAL 96 Ca -0.29 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 2ksh h VAL 96 Cb 1.08 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2ksh h VAL 96 CO 0.54 0.05 -0.15 -0.08 0.02 0.00 0.00 177.57 177.95 2ksh h GLU 97 N 0.28 -0.41 0.16 1.57 4.81 -1.97 0.76 114.58 119.78 2ksh h GLU 97 Ca 0.70 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.97 2ksh h GLU 97 Cb 1.88 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 31.31 2ksh h GLU 97 CO -0.41 -0.24 -0.49 -0.07 -0.73 0.00 0.00 179.01 177.07 2ksh h LEU 98 N -0.47 -1.45 -1.72 1.64 -0.00 -1.29 0.31 115.31 112.33 2ksh h LEU 98 Ca -0.04 0.15 0.07 0.00 -0.00 0.00 0.00 57.88 58.05 2ksh h LEU 98 Cb 0.36 0.53 -0.03 0.00 -0.00 0.00 0.00 40.66 41.52 2ksh h LEU 98 CO 0.07 -0.55 0.31 -0.29 -0.00 0.00 0.00 178.44 177.98 2ksh h ILE 99 N -0.75 0.95 -0.14 1.22 6.09 -1.44 -0.85 117.51 122.59 2ksh h ILE 99 Ca -0.00 -0.12 -0.14 0.00 -1.37 0.00 0.00 64.86 63.23 2ksh h ILE 99 Cb 0.75 0.57 -0.01 0.00 0.47 0.00 0.00 36.82 38.60 2ksh h ILE 99 CO -0.25 0.06 -0.53 0.15 -3.07 0.00 0.00 178.15 174.51 2ksh h PHE 100 N 0.34 0.49 0.00 2.19 3.57 0.44 -2.69 116.94 121.28 2ksh h PHE 100 Ca 0.20 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2ksh h PHE 100 Cb 0.36 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.00 2ksh h PHE 100 CO -0.00 0.84 0.00 1.28 -2.23 0.00 0.00 178.31 178.20 2ksh n LEU 101 N -3.95 0.36 0.07 0.59 4.77 0.98 -2.27 117.00 117.54 2ksh n LEU 101 Ca -0.02 0.61 -0.23 0.00 -0.03 0.00 0.00 56.01 56.34 2ksh n LEU 101 Cb 0.58 -0.60 -0.15 0.00 -2.33 0.00 0.00 43.42 40.92 2ksh n LEU 101 CO 0.45 -0.55 -0.43 -0.07 -1.33 0.00 0.00 177.39 175.45 2ksh h LEU 102 N 0.00 0.59 -0.92 2.23 3.38 -1.39 -3.22 115.31 115.97 2ksh h LEU 102 Ca 0.00 -0.92 0.09 0.00 0.09 0.00 0.00 57.88 57.15 2ksh h LEU 102 Cb 0.20 -0.19 -0.12 0.00 0.09 0.00 0.00 40.66 40.63 2ksh h LEU 102 CO 0.00 1.72 -0.51 -0.62 0.09 0.00 0.00 178.44 179.12 2ksh n GLU 103 N -3.72 -0.37 0.16 1.13 4.71 -0.96 0.41 120.64 121.99 2ksh n GLU 103 Ca -0.23 1.40 0.00 0.00 -0.01 0.00 0.00 57.16 58.32 2ksh n GLU 103 Cb 1.02 -2.06 0.26 0.00 -1.01 0.00 0.00 31.44 29.66 2ksh n GLU 103 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 2ksh h PRO 104 N 0.00 0.02 -0.05 3.49 0.13 -1.73 -2.89 132.00 130.96 2ksh h PRO 104 Ca 0.18 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.32 2ksh h PRO 104 Cb 0.41 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.54 2ksh h PRO 104 CO -0.88 0.50 0.07 0.35 -0.23 0.00 0.00 178.00 177.81 2ksh h PHE 105 N 0.01 0.00 -0.04 1.56 3.57 -0.05 -0.92 116.94 121.07 2ksh h PHE 105 Ca -0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2ksh h PHE 105 Cb 0.87 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 2ksh h PHE 105 CO 0.00 0.00 0.03 0.82 -2.23 0.00 0.00 178.31 176.93 2ksh h ILE 106 N 0.00 0.99 -0.59 1.41 2.04 -1.10 -1.53 117.51 118.74 2ksh h ILE 106 Ca 0.03 -0.01 0.17 0.00 1.00 0.00 0.00 64.86 66.05 2ksh h ILE 106 Cb 0.16 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2ksh h ILE 106 CO -0.00 0.00 0.47 0.00 0.00 0.00 0.00 178.15 178.62 2ksh h ALA 107 N 1.98 2.47 0.09 1.87 0.00 -1.36 0.14 119.26 124.45 2ksh h ALA 107 Ca 0.02 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 2ksh h ALA 107 Cb 0.04 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2ksh h ALA 107 CO -0.00 -0.77 -1.16 1.03 0.00 0.00 0.00 179.25 178.35 2ksh h SER 108 N 0.00 0.36 -1.64 0.00 0.87 -1.47 -3.32 113.55 108.35 2ksh h SER 108 Ca 0.28 -0.37 -0.69 0.00 -1.23 0.00 0.00 61.79 59.78 2ksh h SER 108 Cb 1.22 -0.12 -0.22 0.00 -0.44 0.00 0.00 62.40 62.84 2ksh h SER 108 CO -0.00 1.27 1.07 0.18 -0.53 0.00 0.00 176.83 178.81 2ksh n LEU 109 N -3.53 7.27 0.00 2.23 7.99 0.48 -5.12 117.00 126.32 2ksh n LEU 109 Ca -0.07 -4.73 0.00 0.00 -0.01 0.00 0.00 56.01 51.21 2ksh n LEU 109 Cb 0.98 -1.18 0.00 0.00 -0.11 0.00 0.00 43.42 43.11 2ksh n LEU 109 CO 0.52 1.85 0.00 1.17 -1.51 0.00 0.00 177.39 179.43