#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 2.02 -0.00 7.83 0.01 -1.26 -5.14 113.70 117.16 2ksh s SER 2 Ca 0.00 -0.32 0.04 0.00 1.31 0.00 0.00 55.95 56.99 2ksh s SER 2 Cb 0.00 -0.31 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 2ksh s SER 2 CO 0.00 0.19 -0.12 -0.76 0.41 0.00 0.00 173.24 172.97 2ksh s LEU 3 N -0.29 2.90 0.34 2.44 1.43 -1.26 -5.02 118.68 119.22 2ksh s LEU 3 Ca 0.04 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 2ksh s LEU 3 Cb -0.08 -1.66 0.60 0.00 0.03 0.00 0.00 46.19 45.08 2ksh s LEU 3 CO -0.00 0.29 1.97 0.11 0.23 0.00 0.00 176.35 178.95 2ksh h LYS 4 N 4.74 0.79 -0.79 1.70 1.79 -2.01 -1.89 116.57 120.91 2ksh h LYS 4 Ca -0.48 -0.08 0.22 0.00 -2.18 0.00 0.00 60.65 58.14 2ksh h LYS 4 Cb 1.16 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.61 2ksh h LYS 4 CO 0.51 0.58 0.56 0.66 -1.08 0.00 0.00 179.45 180.68 2ksh h SER 5 N 0.80 0.04 -0.90 0.86 4.64 -1.95 0.90 113.55 117.94 2ksh h SER 5 Ca 0.21 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.66 2ksh h SER 5 Cb 0.01 -0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.03 2ksh h SER 5 CO -0.04 0.02 0.58 0.44 -0.87 0.00 0.00 176.83 176.96 2ksh h ASP 6 N 0.04 0.71 -0.67 4.97 5.19 -1.75 -0.75 116.42 124.16 2ksh h ASP 6 Ca 0.38 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.82 2ksh h ASP 6 Cb 1.45 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 40.82 2ksh h ASP 6 CO -0.02 0.37 0.40 -0.08 -3.12 0.00 0.00 179.24 176.79 2ksh h GLU 7 N 0.76 0.91 -0.26 3.56 4.22 -0.98 0.73 114.58 123.51 2ksh h GLU 7 Ca 0.45 -0.08 -0.06 0.00 0.08 0.00 0.00 59.36 59.74 2ksh h GLU 7 Cb 0.64 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2ksh h GLU 7 CO -0.21 0.65 -0.07 0.28 -2.18 0.00 0.00 179.01 177.48 2ksh h VAL 8 N 0.91 1.28 -0.68 0.32 2.07 -1.27 -2.23 116.25 116.66 2ksh h VAL 8 Ca 0.24 -1.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 2ksh h VAL 8 Cb -0.03 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2ksh h VAL 8 CO -0.05 0.34 0.25 -0.26 0.02 0.00 0.00 177.57 177.88 2ksh h PHE 9 N 0.25 1.03 -0.04 1.57 0.04 -1.05 0.83 116.94 119.59 2ksh h PHE 9 Ca 0.07 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 2ksh h PHE 9 Cb 0.54 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 38.38 2ksh h PHE 9 CO 0.05 0.80 0.01 0.00 -0.60 0.00 0.00 178.31 178.58 2ksh h ALA 10 N 1.28 0.05 -0.49 2.45 0.00 -0.77 -1.36 119.26 120.42 2ksh h ALA 10 Ca 0.23 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2ksh h ALA 10 Cb 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2ksh h ALA 10 CO -0.02 -0.36 -0.03 1.57 0.00 0.00 0.00 179.25 180.42 2ksh h LYS 11 N -0.12 0.89 -0.77 0.00 2.10 -1.25 -2.71 116.57 114.70 2ksh h LYS 11 Ca 0.01 -0.30 0.02 0.00 -2.00 0.00 0.00 60.65 58.38 2ksh h LYS 11 Cb 0.18 -0.07 -0.04 0.00 -0.90 0.00 0.00 32.23 31.40 2ksh h LYS 11 CO -0.00 0.94 0.51 0.82 -2.00 0.00 0.00 179.45 179.72 2ksh h ILE 12 N 0.75 1.17 0.26 0.07 2.04 -0.76 -2.26 117.51 118.78 2ksh h ILE 12 Ca 0.14 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 2ksh h ILE 12 Cb 0.55 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2ksh h ILE 12 CO 0.03 0.19 -0.13 0.00 0.00 0.00 0.00 178.15 178.24 2ksh h ALA 13 N 1.53 -0.35 -0.46 1.87 0.00 -1.05 -2.03 119.26 118.77 2ksh h ALA 13 Ca 0.29 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.18 2ksh h ALA 13 Cb -0.07 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2ksh h ALA 13 CO -0.07 -0.58 0.36 0.87 0.00 0.00 0.00 179.25 179.82 2ksh h LYS 14 N -0.59 0.00 0.00 0.00 1.57 -1.26 0.16 116.57 116.46 2ksh h LYS 14 Ca -0.04 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.56 2ksh h LYS 14 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2ksh h LYS 14 CO 0.06 0.00 -0.87 0.00 -0.57 0.00 0.00 179.45 178.07 2ksh h ARG 15 N 0.00 0.04 0.00 3.15 3.08 -1.13 -3.09 114.38 116.43 2ksh h ARG 15 Ca 0.22 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2ksh h ARG 15 Cb 0.93 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.99 2ksh h ARG 15 CO -0.00 0.88 0.00 -0.07 -1.07 0.00 0.00 179.97 179.71 2ksh h LEU 16 N 0.02 0.00 0.00 3.04 3.38 0.05 -1.45 115.31 120.35 2ksh h LEU 16 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2ksh h LEU 16 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 2ksh h LEU 16 CO 0.12 0.00 -0.08 -0.62 0.09 0.00 0.00 178.44 177.95 2ksh n GLU 17 N -2.46 0.25 0.03 1.13 1.02 -1.15 -3.13 120.64 116.32 2ksh n GLU 17 Ca 0.01 0.19 0.12 0.00 -0.02 0.00 0.00 57.16 57.45 2ksh n GLU 17 Cb 0.18 -1.77 0.16 0.00 -0.02 0.00 0.00 31.44 29.99 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 -2.20 0.60 -4.70 1.62 7.64 -0.55 -4.93 113.62 111.10 2ksh n SER 18 Ca 0.05 -0.15 -0.43 0.00 1.01 0.00 0.00 58.87 59.36 2ksh n SER 18 Cb 0.43 0.37 -0.01 0.00 -1.01 0.00 0.00 64.21 63.99 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 -1.80 1.97 -4.39 0.44 5.41 -1.19 -5.01 119.36 114.80 2ksh n ILE 19 Ca 0.04 -0.49 -0.27 0.00 1.00 0.00 0.00 62.75 63.03 2ksh n ILE 19 Cb 0.39 -1.58 -0.12 0.00 -0.71 0.00 0.00 39.64 37.61 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 -0.28 3.23 0.53 4.38 1.11 -1.26 -5.03 116.67 119.35 2ksh s ASP 20 Ca 0.56 -0.79 0.33 0.00 0.18 0.00 0.00 52.55 52.83 2ksh s ASP 20 Cb -0.57 -0.22 1.38 0.00 1.07 0.00 0.00 42.92 44.59 2ksh s ASP 20 CO 0.62 0.13 1.98 1.55 1.18 0.00 0.00 175.17 180.63 2ksh h PRO 21 N 3.64 0.00 0.18 8.23 0.13 -2.03 -3.20 132.00 138.94 2ksh h PRO 21 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2ksh h PRO 21 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2ksh h PRO 21 CO 0.43 0.00 -0.13 0.00 -0.23 0.00 0.00 178.00 178.07 2ksh h ALA 22 N 2.02 -0.30 -2.58 -0.56 0.00 -2.02 -3.39 119.26 112.44 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 0.48 0.17 -0.17 0.00 0.00 0.00 0.00 17.79 18.27 2ksh h ALA 22 CO 0.00 -0.68 -0.28 1.21 0.00 0.00 0.00 179.25 179.50 2ksh s ASN 23 N -4.92 6.18 0.32 0.00 3.84 -1.21 -5.04 114.94 114.11 2ksh s ASN 23 Ca -0.15 -0.28 -0.04 0.00 0.21 0.00 0.00 52.86 52.60 2ksh s ASN 23 Cb 0.06 -2.20 -0.00 0.00 -0.55 0.00 0.00 41.25 38.56 2ksh s ASN 23 CO 0.65 -0.36 0.45 -0.13 -2.79 0.00 0.00 177.10 174.92 2ksh s ARG 24 N 2.02 1.80 0.00 0.43 1.81 -1.26 -4.73 118.95 119.02 2ksh s ARG 24 Ca 0.12 -1.68 0.00 0.00 -1.72 0.00 0.00 55.73 52.45 2ksh s ARG 24 Cb -0.17 0.43 0.00 0.00 -0.45 0.00 0.00 34.95 34.77 2ksh s ARG 24 CO 0.12 -0.74 0.00 0.94 -0.68 0.00 0.00 175.30 174.94 2ksh n GLN 25 N -0.52 0.00 -3.64 3.54 7.27 -1.26 -5.14 117.38 117.63 2ksh n GLN 25 Ca 0.01 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 57.00 2ksh n GLN 25 Cb 0.62 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 33.20 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 0.00 0.00 -0.26 1.69 0.11 -1.26 -5.16 120.40 115.52 2ksh s VAL 26 Ca 0.00 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.96 2ksh s VAL 26 Cb 0.00 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.96 2ksh s VAL 26 CO 0.00 0.00 0.55 -1.61 -3.33 0.00 0.00 175.10 170.71 2ksh s GLU 27 N 0.27 0.48 0.23 1.54 0.41 -1.26 -5.15 118.70 115.21 2ksh s GLU 27 Ca 0.03 1.26 0.00 0.00 -0.41 0.00 0.00 54.97 55.86 2ksh s GLU 27 Cb -0.05 0.61 -0.04 0.00 -1.78 0.00 0.00 34.13 32.87 2ksh s GLU 27 CO -0.08 -0.22 0.13 -1.01 -0.49 0.00 0.00 175.26 173.60 2ksh s HIS 28 N 2.70 1.30 0.21 1.61 3.76 -1.26 -5.07 115.29 118.54 2ksh s HIS 28 Ca -0.05 -1.34 -0.30 0.00 -0.15 0.00 0.00 55.06 53.22 2ksh s HIS 28 Cb -0.12 -0.67 -0.08 0.00 1.11 0.00 0.00 32.58 32.83 2ksh s HIS 28 CO -0.16 -0.57 1.03 0.08 -0.85 0.00 0.00 174.74 174.27 2ksh s VAL 29 N -4.00 3.91 -0.06 -0.90 1.01 -1.26 -4.77 120.40 114.33 2ksh s VAL 29 Ca 0.39 1.79 0.02 0.00 0.00 0.00 0.00 61.98 64.18 2ksh s VAL 29 Cb 0.07 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.32 2ksh s VAL 29 CO 0.13 0.37 -0.10 -0.31 0.00 0.00 0.00 175.10 175.20 2ksh s TYR 30 N -0.73 1.21 -0.14 5.22 2.02 -1.24 -3.08 117.35 120.60 2ksh s TYR 30 Ca 0.45 -0.41 -0.06 0.00 -0.37 0.00 0.00 57.07 56.68 2ksh s TYR 30 Cb -0.28 -0.92 -0.04 0.00 -0.40 0.00 0.00 41.96 40.32 2ksh s TYR 30 CO 0.35 -0.23 0.07 0.21 -1.57 0.00 0.00 175.55 174.37 2ksh s LYS 31 N 0.69 3.59 -0.09 -0.62 2.20 -0.82 -1.17 119.74 123.52 2ksh s LYS 31 Ca -0.13 -0.30 0.02 0.00 -0.36 0.00 0.00 55.97 55.21 2ksh s LYS 31 Cb -0.15 -3.11 -0.02 0.00 -1.51 0.00 0.00 37.83 33.05 2ksh s LYS 31 CO 0.02 0.52 -0.15 -0.06 -0.36 0.00 0.00 175.35 175.32 2ksh s PHE 32 N -0.32 2.71 -0.23 4.03 0.40 0.09 -0.05 117.98 124.60 2ksh s PHE 32 Ca 0.09 -0.47 -0.05 0.00 -0.60 0.00 0.00 56.93 55.91 2ksh s PHE 32 Cb -0.12 -1.72 -0.01 0.00 0.51 0.00 0.00 43.02 41.68 2ksh s PHE 32 CO 0.02 -0.05 -0.01 1.03 0.70 0.00 0.00 175.22 176.90 2ksh s ARG 33 N -0.16 3.37 -0.31 0.44 0.52 0.77 0.11 118.95 123.69 2ksh s ARG 33 Ca -0.01 -0.64 -0.13 0.00 -0.52 0.00 0.00 55.73 54.44 2ksh s ARG 33 Cb -0.14 -3.09 -0.03 0.00 0.52 0.00 0.00 34.95 32.21 2ksh s ARG 33 CO 0.03 -0.23 0.24 0.42 0.02 0.00 0.00 175.30 175.79 2ksh s ILE 34 N 1.50 5.28 -0.00 1.52 -1.09 -0.29 -2.08 121.20 126.04 2ksh s ILE 34 Ca 0.05 0.00 0.01 0.00 -2.23 0.00 0.00 60.65 58.48 2ksh s ILE 34 Cb -0.15 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 2ksh s ILE 34 CO -0.02 0.09 0.04 0.42 -1.23 0.00 0.00 174.94 174.24 2ksh s THR 35 N 1.79 4.42 -0.41 2.92 -4.23 -1.21 -1.15 115.64 117.78 2ksh s THR 35 Ca 0.08 -0.51 -0.12 0.00 -1.18 0.00 0.00 61.69 59.95 2ksh s THR 35 Cb -0.17 -3.00 0.04 0.00 1.34 0.00 0.00 72.50 70.72 2ksh s THR 35 CO 0.11 0.36 0.26 -1.58 -0.54 0.00 0.00 174.62 173.24 2ksh s GLN 36 N -1.64 2.83 0.00 3.99 0.74 0.17 -2.69 119.66 123.06 2ksh s GLN 36 Ca 0.21 -1.18 0.00 0.00 0.05 0.00 0.00 55.36 54.44 2ksh s GLN 36 Cb -0.12 -3.85 0.00 0.00 1.10 0.00 0.00 33.01 30.14 2ksh s GLN 36 CO 0.12 -0.81 0.00 0.41 -0.55 0.00 0.00 175.29 174.46 2ksh n GLY 37 N 5.05 1.36 0.00 2.59 0.00 -1.26 -3.14 105.19 109.79 2ksh n GLY 37 Ca -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 3.00 -0.02 0.00 -1.26 -5.06 105.19 101.84 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 0.56 0.27 1.61 2.20 -1.19 -5.07 119.74 118.13 2ksh s LYS 39 Ca 0.00 -0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 54.99 2ksh s LYS 39 Cb 0.00 -0.52 -0.13 0.00 -1.51 0.00 0.00 37.83 35.67 2ksh s LYS 39 CO 0.00 0.14 1.44 1.55 -0.36 0.00 0.00 175.35 178.12 2ksh n VAL 40 N 2.71 1.17 0.00 4.02 3.14 -1.26 0.46 118.33 128.57 2ksh n VAL 40 Ca -0.14 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 60.94 2ksh n VAL 40 Cb 0.57 -1.64 0.00 0.00 -1.06 0.00 0.00 33.84 31.71 2ksh n VAL 40 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2ksh n VAL 41 N 1.67 0.00 -3.55 1.55 0.24 -0.30 -4.76 118.33 113.18 2ksh n VAL 41 Ca 0.09 -0.10 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 2ksh n VAL 41 Cb 0.34 0.53 -0.02 0.00 -1.47 0.00 0.00 33.84 33.22 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 -0.86 0.97 -0.03 7.34 2.20 -0.91 -5.04 119.74 123.39 2ksh s LYS 42 Ca 0.00 -0.40 -0.01 0.00 -0.36 0.00 0.00 55.97 55.19 2ksh s LYS 42 Cb 0.00 0.41 0.03 0.00 -1.51 0.00 0.00 37.83 36.77 2ksh s LYS 42 CO 0.00 -0.43 0.06 0.54 -0.36 0.00 0.00 175.35 175.16 2ksh s ASN 43 N -2.61 0.41 0.16 1.43 2.20 -1.26 -1.13 114.94 114.13 2ksh s ASN 43 Ca 0.06 0.10 0.05 0.00 -0.94 0.00 0.00 52.86 52.13 2ksh s ASN 43 Cb -0.01 -0.04 -0.04 0.00 -2.00 0.00 0.00 41.25 39.16 2ksh s ASN 43 CO -0.07 -0.17 0.10 0.26 -2.94 0.00 0.00 177.10 174.27 2ksh s TRP 44 N 1.49 3.08 -0.05 1.54 0.52 0.12 -3.73 118.94 121.91 2ksh s TRP 44 Ca -0.04 -0.03 0.04 0.00 0.02 0.00 0.00 56.10 56.09 2ksh s TRP 44 Cb -0.12 -1.50 -0.00 0.00 -1.15 0.00 0.00 33.47 30.70 2ksh s TRP 44 CO -0.03 0.52 -0.17 0.08 0.02 0.00 0.00 176.95 177.36 2ksh s VAL 45 N -1.69 1.46 -0.35 4.03 1.01 -0.06 -0.73 120.40 124.06 2ksh s VAL 45 Ca 0.30 -0.73 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 2ksh s VAL 45 Cb -0.10 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 2ksh s VAL 45 CO 0.22 0.42 0.38 -0.32 0.00 0.00 0.00 175.10 175.80 2ksh s MET 46 N 0.05 3.50 -0.37 2.72 1.75 -0.31 -1.96 119.30 124.67 2ksh s MET 46 Ca -0.04 -0.45 -0.26 0.00 -1.25 0.00 0.00 55.69 53.68 2ksh s MET 46 Cb -0.12 -3.83 0.02 0.00 2.84 0.00 0.00 34.83 33.74 2ksh s MET 46 CO 0.02 -0.58 0.93 0.34 -0.65 0.00 0.00 175.02 175.08 2ksh s ASP 47 N 1.74 6.67 0.06 1.11 -1.08 -0.27 -3.72 116.67 121.19 2ksh s ASP 47 Ca 0.12 0.55 0.23 0.00 -0.52 0.00 0.00 52.55 52.93 2ksh s ASP 47 Cb -0.17 -2.46 0.05 0.00 -1.46 0.00 0.00 42.92 38.88 2ksh s ASP 47 CO 0.12 -0.87 1.02 -0.11 0.52 0.00 0.00 175.17 175.85 2ksh n LEU 48 N 6.80 0.61 0.09 -1.34 -0.00 -1.26 -1.82 117.00 120.07 2ksh n LEU 48 Ca 0.07 0.03 -0.22 0.00 -0.00 0.00 0.00 56.01 55.89 2ksh n LEU 48 Cb 0.48 -0.10 -0.13 0.00 -0.00 0.00 0.00 43.42 43.67 2ksh n LEU 48 CO 0.58 0.02 -0.06 0.50 -0.00 0.00 0.00 177.39 178.43 2ksh h LYS 49 N 0.00 0.57 0.00 1.96 3.64 -1.95 -3.34 116.57 117.46 2ksh h LYS 49 Ca 0.00 -0.79 0.00 0.00 -1.27 0.00 0.00 60.65 58.59 2ksh h LYS 49 Cb 0.76 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2ksh h LYS 49 CO 0.00 1.36 -0.97 -1.71 -2.27 0.00 0.00 179.45 175.86 2ksh n ASN 50 N -3.85 0.83 -2.62 4.20 2.85 -1.26 -5.01 115.26 110.40 2ksh n ASN 50 Ca -0.14 -0.78 -0.12 0.00 -0.11 0.00 0.00 54.58 53.43 2ksh n ASN 50 Cb 0.97 1.12 0.06 0.00 1.24 0.00 0.00 39.78 43.16 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 -1.51 -3.66 -3.85 3.44 0.31 -0.76 -5.04 118.33 107.26 2ksh n VAL 51 Ca 0.02 -0.27 -0.10 0.00 -0.01 0.00 0.00 64.34 63.98 2ksh n VAL 51 Cb 0.30 -4.00 -0.08 0.00 -0.91 0.00 0.00 33.84 29.15 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 -5.09 0.70 -0.12 5.55 2.47 -0.80 -4.79 119.74 117.66 2ksh s LYS 52 Ca 0.07 -0.64 -0.12 0.00 -1.56 0.00 0.00 55.97 53.72 2ksh s LYS 52 Cb -0.03 0.29 -0.05 0.00 -1.46 0.00 0.00 37.83 36.58 2ksh s LYS 52 CO 0.49 -0.20 0.27 -0.51 0.16 0.00 0.00 175.35 175.56 2ksh s LEU 53 N -2.11 4.33 0.12 5.43 2.01 -1.26 -1.12 118.68 126.08 2ksh s LEU 53 Ca -0.05 0.58 -0.05 0.00 0.01 0.00 0.00 54.13 54.63 2ksh s LEU 53 Cb -0.01 -2.33 -0.02 0.00 0.01 0.00 0.00 46.19 43.84 2ksh s LEU 53 CO -0.04 0.24 0.13 -0.69 1.01 0.00 0.00 176.35 176.99 2ksh s VAL 54 N -0.28 0.12 -0.38 -1.59 1.01 -0.83 -4.97 120.40 113.49 2ksh s VAL 54 Ca 0.17 -1.62 -0.15 0.00 0.00 0.00 0.00 61.98 60.39 2ksh s VAL 54 Cb -0.13 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.48 2ksh s VAL 54 CO 0.06 -0.55 0.30 -1.83 0.00 0.00 0.00 175.10 173.08 2ksh s GLU 55 N -3.97 3.27 0.28 2.72 -1.05 -1.26 -0.89 118.70 117.79 2ksh s GLU 55 Ca 0.16 -0.76 -0.14 0.00 -0.15 0.00 0.00 54.97 54.08 2ksh s GLU 55 Cb 0.06 -3.89 0.01 0.00 -0.44 0.00 0.00 34.13 29.87 2ksh s GLU 55 CO -0.03 -0.62 0.55 0.45 0.95 0.00 0.00 175.26 176.56 2ksh s SER 56 N 1.72 -0.01 0.00 0.83 0.15 -1.24 -4.92 113.70 110.22 2ksh s SER 56 Ca 0.07 -0.95 0.07 0.00 0.70 0.00 0.00 55.95 55.84 2ksh s SER 56 Cb -0.18 0.64 0.12 0.00 -1.71 0.00 0.00 66.02 64.89 2ksh s SER 56 CO 0.11 -1.24 0.92 -0.67 1.20 0.00 0.00 173.24 173.55 2ksh n ASP 57 N -0.59 2.03 -4.48 5.45 -0.08 -1.26 -4.35 116.55 113.28 2ksh n ASP 57 Ca -0.02 -1.61 -0.34 0.00 -1.51 0.00 0.00 54.79 51.31 2ksh n ASP 57 Cb 0.61 -0.07 0.11 0.00 2.34 0.00 0.00 41.12 44.12 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 0.27 -1.34 -4.14 1.67 2.03 -1.26 -4.97 116.55 108.80 2ksh n ASP 58 Ca 0.05 0.43 -0.29 0.00 0.52 0.00 0.00 54.79 55.50 2ksh n ASP 58 Cb 0.26 -1.26 0.23 0.00 -0.72 0.00 0.00 41.12 39.62 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 -2.26 0.43 0.09 -1.67 0.00 -1.26 -5.02 121.76 112.07 2ksh s ALA 59 Ca 0.61 -0.66 -0.25 0.00 0.00 0.00 0.00 51.96 51.66 2ksh s ALA 59 Cb -0.25 -3.01 0.08 0.00 0.00 0.00 0.00 23.12 19.94 2ksh s ALA 59 CO 0.63 -3.49 0.69 0.00 0.00 0.00 0.00 175.76 173.58 2ksh s ALA 60 N -2.86 -1.68 0.60 0.00 0.00 -1.26 -4.97 121.76 111.59 2ksh s ALA 60 Ca 0.69 0.72 0.30 0.00 0.00 0.00 0.00 51.96 53.67 2ksh s ALA 60 Cb -0.15 0.65 1.73 0.00 0.00 0.00 0.00 23.12 25.36 2ksh s ALA 60 CO 0.58 -0.70 2.13 0.93 0.00 0.00 0.00 175.76 178.69 2ksh h GLU 61 N 2.09 0.00 -2.95 0.00 4.39 -1.94 -3.44 114.58 112.74 2ksh h GLU 61 Ca -0.30 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 2ksh h GLU 61 Cb 1.27 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.81 2ksh h GLU 61 CO 0.36 0.00 0.23 0.00 -1.16 0.00 0.00 179.01 178.44 2ksh s ALA 62 N -4.57 -1.58 -0.05 3.43 0.00 -1.26 -2.81 121.76 114.92 2ksh s ALA 62 Ca -0.05 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.37 2ksh s ALA 62 Cb 0.15 0.85 0.02 0.00 0.00 0.00 0.00 23.12 24.14 2ksh s ALA 62 CO 0.52 -0.79 -0.06 0.99 0.00 0.00 0.00 175.76 176.42 2ksh s THR 63 N -3.72 0.68 -0.31 0.00 2.01 -0.46 -1.95 115.64 111.90 2ksh s THR 63 Ca 0.02 -0.21 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 2ksh s THR 63 Cb -0.01 -0.68 0.06 0.00 0.01 0.00 0.00 72.50 71.87 2ksh s THR 63 CO -0.11 0.26 0.01 -0.76 -0.69 0.00 0.00 174.62 173.33 2ksh s LEU 64 N 0.88 4.00 -0.18 4.42 1.43 0.92 -0.05 118.68 130.10 2ksh s LEU 64 Ca -0.12 -1.39 -0.05 0.00 -1.03 0.00 0.00 54.13 51.54 2ksh s LEU 64 Cb -0.15 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 2ksh s LEU 64 CO 0.01 -0.28 0.01 -0.89 0.23 0.00 0.00 176.35 175.43 2ksh s THR 65 N 1.21 4.20 -0.00 5.49 2.01 -0.93 -0.16 115.64 127.45 2ksh s THR 65 Ca -0.04 -0.24 -0.29 0.00 0.31 0.00 0.00 61.69 61.43 2ksh s THR 65 Cb -0.20 -2.88 0.07 0.00 0.01 0.00 0.00 72.50 69.50 2ksh s THR 65 CO -0.02 0.45 0.66 0.00 -0.69 0.00 0.00 174.62 175.02 2ksh s MET 66 N 0.65 1.11 0.70 4.92 0.23 -0.88 -2.08 119.30 123.94 2ksh s MET 66 Ca 0.00 0.10 -0.16 0.00 -1.03 0.00 0.00 55.69 54.59 2ksh s MET 66 Cb -0.14 0.52 0.01 0.00 -1.53 0.00 0.00 34.83 33.70 2ksh s MET 66 CO 0.02 -0.38 1.18 0.39 -2.03 0.00 0.00 175.02 174.20 2ksh n GLU 67 N 0.62 0.72 -0.21 3.16 1.02 -1.26 -3.36 120.64 121.34 2ksh n GLU 67 Ca -0.19 0.31 0.01 0.00 -0.02 0.00 0.00 57.16 57.27 2ksh n GLU 67 Cb 0.59 -2.42 0.12 0.00 -0.02 0.00 0.00 31.44 29.71 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 -0.02 0.16 -0.16 1.62 3.58 -1.88 0.25 116.42 119.97 2ksh h ASP 68 Ca -0.49 0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.02 2ksh h ASP 68 Cb 1.33 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.46 2ksh h ASP 68 CO 0.50 0.09 0.02 0.44 -2.88 0.00 0.00 179.24 177.40 2ksh h ASP 69 N 0.36 0.35 0.06 2.28 5.19 -1.90 -2.32 116.42 120.45 2ksh h ASP 69 Ca 0.33 -0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.69 2ksh h ASP 69 Cb 0.45 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.87 2ksh h ASP 69 CO -0.36 0.40 -0.03 0.40 -3.12 0.00 0.00 179.24 176.54 2ksh h ILE 70 N 0.38 1.28 -0.97 0.35 1.08 -1.26 -3.13 117.51 115.23 2ksh h ILE 70 Ca 0.09 -1.48 0.20 0.00 -0.39 0.00 0.00 64.86 63.27 2ksh h ILE 70 Cb 0.23 2.20 -0.09 0.00 -3.07 0.00 0.00 36.82 36.08 2ksh h ILE 70 CO 0.00 0.35 0.61 -0.03 -0.69 0.00 0.00 178.15 178.40 2ksh h MET 71 N -0.78 0.61 -0.56 2.37 1.85 -0.51 0.13 114.93 118.04 2ksh h MET 71 Ca -0.01 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.03 2ksh h MET 71 Cb 0.63 -0.14 -0.03 0.00 0.43 0.00 0.00 31.60 32.50 2ksh h MET 71 CO 0.01 0.40 0.28 0.35 -0.40 0.00 0.00 176.91 177.56 2ksh h PHE 72 N 0.62 0.79 -0.02 1.39 3.57 -1.46 -0.62 116.94 121.21 2ksh h PHE 72 Ca 0.54 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.01 2ksh h PHE 72 Cb 1.02 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 2ksh h PHE 72 CO -0.00 0.60 -0.01 0.00 -2.23 0.00 0.00 178.31 176.67 2ksh h ALA 73 N 1.12 0.00 0.00 2.41 0.00 -0.93 0.30 119.26 122.16 2ksh h ALA 73 Ca 0.19 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2ksh h ALA 73 Cb 0.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2ksh h ALA 73 CO -0.03 -0.50 0.00 0.82 0.00 0.00 0.00 179.25 179.54 2ksh h ILE 74 N -0.01 0.00 0.08 0.00 5.03 -1.29 0.39 117.51 121.71 2ksh h ILE 74 Ca 0.01 -0.32 -0.33 0.00 -0.12 0.00 0.00 64.86 64.10 2ksh h ILE 74 Cb 0.03 1.20 -0.03 0.00 -3.03 0.00 0.00 36.82 34.99 2ksh h ILE 74 CO -0.02 0.00 -1.81 1.23 -0.68 0.00 0.00 178.15 176.87 2ksh h GLY 75 N 1.76 0.19 -3.53 5.37 0.00 -0.15 -3.35 103.07 103.35 2ksh h GLY 75 Ca 0.00 -0.49 -0.37 0.00 0.00 0.00 0.00 47.33 46.47 2ksh h GLY 75 CO 0.00 0.43 0.47 -0.37 0.00 0.00 0.00 176.54 177.07 2ksh n THR 76 N -3.32 2.70 -2.12 4.70 5.66 0.97 -4.87 114.28 118.00 2ksh n THR 76 Ca -0.24 -1.48 -0.10 0.00 -3.05 0.00 0.00 64.05 59.18 2ksh n THR 76 Cb 1.05 -0.56 -0.02 0.00 -1.55 0.00 0.00 70.33 69.26 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 -0.68 -0.07 0.00 1.09 0.00 -1.11 -4.86 105.19 99.56 2ksh n GLY 77 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -1.56 -0.03 -2.64 4.61 0.00 0.13 -4.92 120.51 116.09 2ksh n ALA 78 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.00 2ksh n ALA 78 Cb 0.52 0.00 -0.10 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 -2.88 3.38 0.14 0.00 1.43 -1.10 -4.99 118.68 114.65 2ksh s LEU 79 Ca 0.00 -0.04 -0.31 0.00 -1.03 0.00 0.00 54.13 52.76 2ksh s LEU 79 Cb 0.00 -1.90 -0.08 0.00 0.03 0.00 0.00 46.19 44.24 2ksh s LEU 79 CO 0.00 0.30 1.34 -2.16 0.23 0.00 0.00 176.35 176.06 2ksh s PRO 80 N -1.37 4.36 0.58 1.29 0.04 -1.26 -3.67 135.00 134.97 2ksh s PRO 80 Ca 0.17 2.04 0.28 0.00 0.04 0.00 0.00 61.00 63.53 2ksh s PRO 80 Cb -0.11 -3.24 1.73 0.00 0.04 0.00 0.00 34.50 32.92 2ksh s PRO 80 CO 0.08 -0.35 2.21 0.00 0.04 0.00 0.00 177.00 178.98 2ksh h ALA 81 N 6.24 1.65 0.51 8.56 0.00 -1.96 -2.34 119.26 131.92 2ksh h ALA 81 Ca -0.43 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2ksh h ALA 81 Cb 1.21 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2ksh h ALA 81 CO 0.82 -0.07 -0.25 0.87 0.00 0.00 0.00 179.25 180.63 2ksh h LYS 82 N 0.00 -0.66 -0.30 0.00 1.57 -2.00 -2.65 116.57 112.53 2ksh h LYS 82 Ca 0.02 0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 2ksh h LYS 82 Cb 0.12 0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 2ksh h LYS 82 CO -0.00 -0.36 0.02 0.93 -0.57 0.00 0.00 179.45 179.47 2ksh h GLU 83 N -1.05 0.12 -0.98 3.15 5.08 -1.89 -1.62 114.58 117.39 2ksh h GLU 83 Ca -0.07 -0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.48 2ksh h GLU 83 Cb 0.61 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.72 2ksh h GLU 83 CO 0.12 0.08 0.57 0.00 -1.00 0.00 0.00 179.01 178.77 2ksh h ALA 84 N 1.25 1.62 0.00 3.43 0.00 -1.49 0.38 119.26 124.46 2ksh h ALA 84 Ca 0.15 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 2ksh h ALA 84 Cb 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2ksh h ALA 84 CO -0.22 -0.11 -0.38 1.98 0.00 0.00 0.00 179.25 180.52 2ksh h MET 85 N 0.69 0.00 -0.32 0.00 4.05 -0.93 0.19 114.93 118.61 2ksh h MET 85 Ca 0.57 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.84 2ksh h MET 85 Cb 0.93 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.72 2ksh h MET 85 CO -0.41 0.38 -0.41 0.00 0.23 0.00 0.00 176.91 176.70 2ksh h ALA 86 N 1.62 0.66 -0.21 0.39 0.00 0.31 -2.73 119.26 119.30 2ksh h ALA 86 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2ksh h ALA 86 Cb 0.73 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2ksh h ALA 86 CO 0.05 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.97 2ksh n GLN 87 N -4.04 1.56 -1.12 0.00 10.64 -0.77 -4.85 117.38 118.79 2ksh n GLN 87 Ca -0.02 -0.79 -0.04 0.00 -1.83 0.00 0.00 57.00 54.32 2ksh n GLN 87 Cb 0.54 -1.21 -0.02 0.00 -0.86 0.00 0.00 30.24 28.69 2ksh n GLN 87 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2ksh n ASP 88 N 0.14 -4.95 0.00 2.61 8.00 -1.03 -4.82 116.55 116.49 2ksh n ASP 88 Ca 0.07 0.10 0.09 0.00 0.71 0.00 0.00 54.79 55.76 2ksh n ASP 88 Cb 0.21 -2.81 0.43 0.00 -0.02 0.00 0.00 41.12 38.94 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 -0.93 0.15 -3.54 -1.24 4.76 0.65 -4.80 118.16 113.22 2ksh n LYS 89 Ca -0.04 0.15 -0.10 0.00 -2.87 0.00 0.00 58.31 55.44 2ksh n LYS 89 Cb 0.38 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.03 2ksh n LYS 89 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ksh s MET 90 N -2.76 0.73 0.21 1.97 0.23 -1.15 -4.40 119.30 114.14 2ksh s MET 90 Ca 0.14 -0.05 0.01 0.00 -1.03 0.00 0.00 55.69 54.76 2ksh s MET 90 Cb 0.12 0.34 -0.05 0.00 -1.53 0.00 0.00 34.83 33.72 2ksh s MET 90 CO 0.30 -0.28 0.05 -1.21 -2.03 0.00 0.00 175.02 171.86 2ksh s GLU 91 N -2.05 1.26 -0.05 3.16 0.41 -0.89 -4.24 118.70 116.30 2ksh s GLU 91 Ca 0.01 -1.65 -0.12 0.00 -0.41 0.00 0.00 54.97 52.80 2ksh s GLU 91 Cb -0.01 -0.23 0.02 0.00 -1.78 0.00 0.00 34.13 32.13 2ksh s GLU 91 CO -0.03 -0.22 0.28 0.08 -0.49 0.00 0.00 175.26 174.88 2ksh s VAL 92 N -3.73 0.04 0.32 2.63 1.01 -1.26 -2.20 120.40 117.21 2ksh s VAL 92 Ca 0.31 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.03 2ksh s VAL 92 Cb 0.07 -0.51 -0.06 0.00 0.00 0.00 0.00 36.38 35.88 2ksh s VAL 92 CO 0.09 -0.17 0.02 -0.62 0.00 0.00 0.00 175.10 174.41 2ksh s ASP 93 N -0.74 2.73 0.11 3.32 2.15 0.92 -4.95 116.67 120.21 2ksh s ASP 93 Ca -0.08 -1.32 0.00 0.00 0.43 0.00 0.00 52.55 51.58 2ksh s ASP 93 Cb -0.04 -0.16 0.00 0.00 -0.30 0.00 0.00 42.92 42.42 2ksh s ASP 93 CO 0.02 -0.50 0.00 0.61 -0.17 0.00 0.00 175.17 175.13 2ksh n GLY 94 N -0.70 0.93 3.40 2.66 0.00 -1.26 -1.36 105.19 108.86 2ksh n GLY 94 Ca -0.04 -1.30 -0.44 0.00 0.00 0.00 0.00 46.02 44.24 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 3.07 0.66 1.61 1.11 -1.12 -4.89 119.66 120.10 2ksh s GLN 95 Ca 0.00 -1.16 0.41 0.00 0.01 0.00 0.00 55.36 54.62 2ksh s GLN 95 Cb 0.00 -4.22 2.25 0.00 -1.01 0.00 0.00 33.01 30.03 2ksh s GLN 95 CO 0.00 -1.49 2.28 0.28 0.01 0.00 0.00 175.29 176.37 2ksh h VAL 96 N 5.92 0.04 -0.02 1.09 2.07 -1.94 -0.48 116.25 122.92 2ksh h VAL 96 Ca -0.29 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 66.99 2ksh h VAL 96 Cb 1.09 0.93 0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2ksh h VAL 96 CO 1.08 0.00 -0.95 1.05 0.02 0.00 0.00 177.57 178.77 2ksh h GLU 97 N 0.00 0.57 0.18 1.57 -0.00 -2.00 -3.08 114.58 111.82 2ksh h GLU 97 Ca 0.00 -0.58 -0.24 0.00 -0.00 0.00 0.00 59.36 58.54 2ksh h GLU 97 Cb 0.14 0.16 0.03 0.00 -0.00 0.00 0.00 28.75 29.07 2ksh h GLU 97 CO -0.00 1.20 -1.07 -0.07 -0.00 0.00 0.00 179.01 179.07 2ksh h LEU 98 N 0.33 0.60 -0.98 3.06 3.38 -1.57 -2.83 115.31 117.31 2ksh h LEU 98 Ca -0.09 -0.94 0.16 0.00 0.09 0.00 0.00 57.88 57.10 2ksh h LEU 98 Cb 1.58 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 42.04 2ksh h LEU 98 CO 0.18 1.51 0.59 0.16 0.09 0.00 0.00 178.44 180.98 2ksh h ILE 99 N -0.19 0.78 0.00 1.22 3.07 -1.27 0.80 117.51 121.93 2ksh h ILE 99 Ca -0.19 -0.28 -0.14 0.00 1.55 0.00 0.00 64.86 65.80 2ksh h ILE 99 Cb 1.84 -0.11 -0.02 0.00 -0.27 0.00 0.00 36.82 38.25 2ksh h ILE 99 CO 0.19 0.15 -0.65 2.19 -1.05 0.00 0.00 178.15 178.98 2ksh h PHE 100 N 0.82 0.00 0.00 0.16 -5.15 -1.63 -3.14 116.94 108.00 2ksh h PHE 100 Ca 0.54 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.31 2ksh h PHE 100 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.89 2ksh h PHE 100 CO -0.02 0.65 0.00 -0.11 -2.00 0.00 0.00 178.31 176.84 2ksh n LEU 101 N -3.31 0.12 -0.02 2.10 -0.00 0.26 -1.54 117.00 114.60 2ksh n LEU 101 Ca 0.01 0.54 -0.09 0.00 -0.00 0.00 0.00 56.01 56.48 2ksh n LEU 101 Cb 0.78 -0.54 -0.14 0.00 -0.00 0.00 0.00 43.42 43.51 2ksh n LEU 101 CO 0.42 -0.46 -0.54 0.18 -0.00 0.00 0.00 177.39 176.99 2ksh n LEU 102 N -1.65 0.88 -0.13 -1.96 4.77 -1.09 -4.04 117.00 113.78 2ksh n LEU 102 Ca 0.01 0.40 -0.13 0.00 -0.03 0.00 0.00 56.01 56.26 2ksh n LEU 102 Cb 0.09 0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 41.25 2ksh n LEU 102 CO 0.08 0.40 0.51 -0.33 -1.33 0.00 0.00 177.39 176.72 2ksh h GLU 103 N 0.00 -0.39 0.00 3.23 4.39 -1.41 0.45 114.58 120.85 2ksh h GLU 103 Ca -0.29 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.43 2ksh h GLU 103 Cb 2.02 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.76 2ksh h GLU 103 CO 0.08 -0.26 0.00 -0.35 -1.16 0.00 0.00 179.01 177.32 2ksh n PRO 104 N -5.39 0.16 0.00 2.33 -0.04 -1.26 -1.86 135.00 128.94 2ksh n PRO 104 Ca -0.03 0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.71 2ksh n PRO 104 Cb 0.35 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.29 2ksh n PRO 104 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2ksh n PHE 105 N -1.34 0.00 0.09 0.54 3.01 0.14 -4.31 117.46 115.59 2ksh n PHE 105 Ca 0.06 0.00 0.20 0.00 1.01 0.00 0.00 57.45 58.72 2ksh n PHE 105 Cb 0.13 -0.01 0.75 0.00 -0.01 0.00 0.00 39.48 40.34 2ksh n PHE 105 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2ksh h ILE 106 N 1.48 0.50 -0.16 4.37 2.04 -0.20 0.37 117.51 125.91 2ksh h ILE 106 Ca 0.00 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.68 2ksh h ILE 106 Cb 0.65 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2ksh h ILE 106 CO 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 178.15 177.53 2ksh h ALA 107 N 1.63 0.61 0.13 1.87 0.00 -1.80 -3.28 119.26 118.43 2ksh h ALA 107 Ca 0.18 -0.55 -0.32 0.00 0.00 0.00 0.00 54.91 54.22 2ksh h ALA 107 Cb 0.91 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2ksh h ALA 107 CO -0.00 0.71 -1.64 0.77 0.00 0.00 0.00 179.25 179.09 2ksh h SER 108 N 0.41 0.44 -0.43 0.00 0.02 -1.09 -3.47 113.55 109.44 2ksh h SER 108 Ca -0.01 -0.66 0.23 0.00 -0.84 0.00 0.00 61.79 60.51 2ksh h SER 108 Cb 1.19 -0.14 -0.25 0.00 0.14 0.00 0.00 62.40 63.34 2ksh h SER 108 CO 0.12 1.56 0.34 -0.22 -1.14 0.00 0.00 176.83 177.48 2ksh s LEU 109 N -7.04 -0.31 0.00 5.07 1.98 0.10 -4.95 118.68 113.54 2ksh s LEU 109 Ca -0.12 0.35 0.30 0.00 -2.89 0.00 0.00 54.13 51.76 2ksh s LEU 109 Cb 0.06 1.32 1.40 0.00 0.66 0.00 0.00 46.19 49.64 2ksh s LEU 109 CO 0.85 -0.06 1.94 1.17 -1.89 0.00 0.00 176.35 178.36