#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 1.86 -0.01 6.12 1.04 -1.26 -5.15 113.70 116.31 2ksh s SER 2 Ca 0.00 -0.33 0.05 0.00 0.48 0.00 0.00 55.95 56.15 2ksh s SER 2 Cb 0.00 -0.19 -0.03 0.00 0.10 0.00 0.00 66.02 65.90 2ksh s SER 2 CO 0.00 0.16 -0.13 -0.76 0.98 0.00 0.00 173.24 173.49 2ksh s LEU 3 N -0.55 2.82 0.40 2.42 1.43 -1.26 -5.01 118.68 118.93 2ksh s LEU 3 Ca 0.05 -0.25 0.07 0.00 -1.03 0.00 0.00 54.13 52.97 2ksh s LEU 3 Cb -0.06 -1.62 0.84 0.00 0.03 0.00 0.00 46.19 45.37 2ksh s LEU 3 CO -0.00 0.30 2.05 0.11 0.23 0.00 0.00 176.35 179.04 2ksh h LYS 4 N 4.84 0.55 -0.01 1.70 1.57 -2.01 -0.85 116.57 122.36 2ksh h LYS 4 Ca -0.47 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2ksh h LYS 4 Cb 1.16 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 2ksh h LYS 4 CO 0.50 0.37 0.03 0.66 -0.57 0.00 0.00 179.45 180.44 2ksh h SER 5 N 0.56 0.00 -0.76 0.86 4.64 -1.94 -2.19 113.55 114.73 2ksh h SER 5 Ca 0.15 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.57 2ksh h SER 5 Cb -0.04 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 61.97 2ksh h SER 5 CO -0.03 0.00 0.39 -0.78 -0.87 0.00 0.00 176.83 175.54 2ksh h ASP 6 N 0.00 0.52 -0.43 4.97 1.82 -1.55 -1.68 116.42 120.06 2ksh h ASP 6 Ca 0.00 0.06 0.01 0.00 -0.39 0.00 0.00 57.03 56.72 2ksh h ASP 6 Cb 0.05 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.01 2ksh h ASP 6 CO -0.00 0.28 0.27 -0.33 -1.61 0.00 0.00 179.24 177.85 2ksh h GLU 7 N 0.65 0.53 -0.33 0.28 4.39 -1.57 -1.86 114.58 116.67 2ksh h GLU 7 Ca 0.38 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 60.10 2ksh h GLU 7 Cb 0.41 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.88 2ksh h GLU 7 CO -0.28 0.35 -0.00 0.28 -1.16 0.00 0.00 179.01 178.20 2ksh h VAL 8 N 0.55 0.76 -0.96 3.13 2.07 -1.45 -0.69 116.25 119.66 2ksh h VAL 8 Ca 0.17 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.67 2ksh h VAL 8 Cb -0.02 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 2ksh h VAL 8 CO -0.06 0.02 0.63 -0.26 0.02 0.00 0.00 177.57 177.92 2ksh h PHE 9 N 0.09 1.20 -0.35 1.57 0.04 -1.15 0.14 116.94 118.48 2ksh h PHE 9 Ca 0.16 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.95 2ksh h PHE 9 Cb 0.22 -0.41 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 2ksh h PHE 9 CO -0.24 0.75 0.18 0.00 -0.60 0.00 0.00 178.31 178.40 2ksh h ALA 10 N 1.36 0.45 -0.22 2.45 0.00 -0.49 0.21 119.26 123.02 2ksh h ALA 10 Ca 0.36 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 2ksh h ALA 10 Cb -0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2ksh h ALA 10 CO -0.08 -0.00 -0.10 0.87 0.00 0.00 0.00 179.25 179.93 2ksh h LYS 11 N 0.44 0.46 -0.42 0.00 1.57 -0.76 -2.85 116.57 115.01 2ksh h LYS 11 Ca 0.12 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2ksh h LYS 11 Cb 0.08 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2ksh h LYS 11 CO -0.02 0.73 0.21 0.82 -0.57 0.00 0.00 179.45 180.63 2ksh h ILE 12 N 0.17 1.17 -0.42 1.86 2.04 -0.64 -2.90 117.51 118.79 2ksh h ILE 12 Ca 0.05 -0.47 0.08 0.00 1.00 0.00 0.00 64.86 65.52 2ksh h ILE 12 Cb 0.59 0.71 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 2ksh h ILE 12 CO 0.03 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.37 2ksh h ALA 13 N 1.06 0.38 -0.90 1.87 0.00 -0.58 -0.68 119.26 120.41 2ksh h ALA 13 Ca 0.15 0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.30 2ksh h ALA 13 Cb 0.10 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 2ksh h ALA 13 CO -0.02 -0.39 0.58 0.87 0.00 0.00 0.00 179.25 180.29 2ksh h LYS 14 N 0.11 0.78 -0.08 0.00 1.79 -1.32 0.48 116.57 118.33 2ksh h LYS 14 Ca 0.21 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.55 2ksh h LYS 14 Cb 0.29 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 2ksh h LYS 14 CO -0.34 0.52 -0.32 0.00 -1.08 0.00 0.00 179.45 178.22 2ksh h ARG 15 N 0.80 0.15 0.00 3.15 2.47 -0.96 -2.35 114.38 117.65 2ksh h ARG 15 Ca 0.44 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 59.10 2ksh h ARG 15 Cb 0.56 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.87 2ksh h ARG 15 CO -0.20 0.46 -0.02 -0.07 0.56 0.00 0.00 179.97 180.70 2ksh h LEU 16 N 0.13 0.00 -0.07 3.04 3.38 -0.21 0.16 115.31 121.73 2ksh h LEU 16 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2ksh h LEU 16 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2ksh h LEU 16 CO 0.05 0.02 0.00 -0.62 0.09 0.00 0.00 178.44 177.98 2ksh n GLU 17 N -3.31 0.17 0.05 1.13 1.02 -0.88 -2.99 120.64 115.83 2ksh n GLU 17 Ca -0.02 0.18 0.11 0.00 -0.02 0.00 0.00 57.16 57.41 2ksh n GLU 17 Cb 0.14 -1.72 -0.02 0.00 -0.02 0.00 0.00 31.44 29.82 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 -2.02 0.59 -4.74 1.62 7.64 0.03 -4.94 113.62 111.80 2ksh n SER 18 Ca 0.06 0.07 -0.41 0.00 1.01 0.00 0.00 58.87 59.60 2ksh n SER 18 Cb 0.37 0.85 0.01 0.00 -1.01 0.00 0.00 64.21 64.44 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 -2.33 2.57 -4.39 0.44 5.41 -1.16 -5.02 119.36 114.88 2ksh n ILE 19 Ca 0.00 -0.50 -0.27 0.00 1.00 0.00 0.00 62.75 62.98 2ksh n ILE 19 Cb 0.51 -1.76 -0.12 0.00 -0.71 0.00 0.00 39.64 37.56 2ksh n ILE 19 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2ksh s ASP 20 N -0.43 3.22 0.47 4.38 2.15 -1.26 -5.03 116.67 120.16 2ksh s ASP 20 Ca 0.60 -0.80 0.26 0.00 0.43 0.00 0.00 52.55 53.04 2ksh s ASP 20 Cb -0.48 -0.22 1.08 0.00 -0.30 0.00 0.00 42.92 43.01 2ksh s ASP 20 CO 0.59 0.13 1.90 1.55 -0.17 0.00 0.00 175.17 179.16 2ksh h PRO 21 N 3.60 0.00 0.27 4.34 0.13 -2.01 -3.21 132.00 135.12 2ksh h PRO 21 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 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 0.19 -0.18 0.00 -0.23 0.00 0.00 178.00 178.21 2ksh h ALA 22 N 1.81 -0.43 -2.79 -0.56 0.00 -2.02 -3.39 119.26 111.88 2ksh h ALA 22 Ca -0.00 -0.08 -0.68 0.00 0.00 0.00 0.00 54.91 54.15 2ksh h ALA 22 Cb 0.63 0.22 -0.21 0.00 0.00 0.00 0.00 17.79 18.44 2ksh h ALA 22 CO 0.02 -0.75 -0.52 1.21 0.00 0.00 0.00 179.25 179.22 2ksh s ASN 23 N -4.81 5.82 -0.30 0.00 3.84 -1.21 -5.00 114.94 113.27 2ksh s ASN 23 Ca -0.15 -0.47 -0.18 0.00 0.21 0.00 0.00 52.86 52.26 2ksh s ASN 23 Cb 0.06 -2.07 0.17 0.00 -0.55 0.00 0.00 41.25 38.86 2ksh s ASN 23 CO 0.64 -0.22 1.23 -0.13 -2.79 0.00 0.00 177.10 175.84 2ksh s ARG 24 N 1.67 0.01 0.07 0.43 0.52 -1.26 -4.59 118.95 115.80 2ksh s ARG 24 Ca 0.05 0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.28 2ksh s ARG 24 Cb -0.17 0.01 -0.26 0.00 0.52 0.00 0.00 34.95 35.05 2ksh s ARG 24 CO 0.08 -0.02 1.11 1.96 0.02 0.00 0.00 175.30 178.45 2ksh h GLN 25 N 7.67 0.17 -1.81 3.54 4.20 -1.97 -3.47 115.11 123.44 2ksh h GLN 25 Ca -0.10 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.32 2ksh h GLN 25 Cb 1.18 0.11 -0.22 0.00 0.30 0.00 0.00 27.48 28.85 2ksh h GLN 25 CO -0.23 1.10 0.32 0.54 -0.67 0.00 0.00 178.83 179.88 2ksh s VAL 26 N -2.66 0.00 -0.29 -0.54 0.11 -1.26 -5.16 120.40 110.59 2ksh s VAL 26 Ca -0.03 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.91 2ksh s VAL 26 Cb 0.08 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 34.05 2ksh s VAL 26 CO 0.86 0.00 0.64 -1.61 -3.33 0.00 0.00 175.10 171.66 2ksh s GLU 27 N -0.53 0.58 0.22 1.54 2.02 -1.26 -5.11 118.70 116.15 2ksh s GLU 27 Ca -0.03 1.43 -0.03 0.00 0.02 0.00 0.00 54.97 56.36 2ksh s GLU 27 Cb -0.02 0.81 -0.03 0.00 0.10 0.00 0.00 34.13 34.99 2ksh s GLU 27 CO 0.03 -0.20 0.21 -1.01 0.02 0.00 0.00 175.26 174.31 2ksh s HIS 28 N 2.81 1.05 0.19 1.61 3.76 -1.26 -4.95 115.29 118.50 2ksh s HIS 28 Ca -0.06 -1.27 -0.30 0.00 -0.15 0.00 0.00 55.06 53.28 2ksh s HIS 28 Cb -0.12 -0.42 -0.08 0.00 1.11 0.00 0.00 32.58 33.08 2ksh s HIS 28 CO -0.19 -0.73 1.12 0.08 -0.85 0.00 0.00 174.74 174.17 2ksh s VAL 29 N -4.06 3.76 0.24 -0.90 1.01 -1.26 -4.48 120.40 114.71 2ksh s VAL 29 Ca 0.36 1.53 0.10 0.00 0.00 0.00 0.00 61.98 63.97 2ksh s VAL 29 Cb 0.05 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 2ksh s VAL 29 CO 0.13 0.27 -0.19 -0.31 0.00 0.00 0.00 175.10 175.00 2ksh s TYR 30 N -0.28 2.10 -0.06 5.22 2.02 -1.11 -2.04 117.35 123.19 2ksh s TYR 30 Ca 0.50 -0.41 0.05 0.00 -0.37 0.00 0.00 57.07 56.84 2ksh s TYR 30 Cb -0.30 -0.95 -0.01 0.00 -0.40 0.00 0.00 41.96 40.30 2ksh s TYR 30 CO 0.36 0.57 -0.23 0.15 -1.57 0.00 0.00 175.55 174.83 2ksh s LYS 31 N -3.39 2.38 -0.07 -0.62 1.02 -0.81 -1.24 119.74 117.01 2ksh s LYS 31 Ca 0.26 -0.82 0.05 0.00 0.02 0.00 0.00 55.97 55.49 2ksh s LYS 31 Cb -0.04 -2.00 -0.01 0.00 -0.52 0.00 0.00 37.83 35.26 2ksh s LYS 31 CO 0.12 0.32 -0.24 -0.06 -0.92 0.00 0.00 175.35 174.56 2ksh s PHE 32 N -0.05 2.48 -0.18 3.18 0.40 -0.17 -0.02 117.98 123.62 2ksh s PHE 32 Ca -0.05 -0.76 0.01 0.00 -0.60 0.00 0.00 56.93 55.53 2ksh s PHE 32 Cb -0.14 -1.63 0.02 0.00 0.51 0.00 0.00 43.02 41.79 2ksh s PHE 32 CO 0.04 -0.24 -0.19 1.03 0.70 0.00 0.00 175.22 176.56 2ksh s ARG 33 N -0.08 2.94 -0.30 0.44 0.52 -0.18 0.29 118.95 122.58 2ksh s ARG 33 Ca -0.06 -0.84 -0.11 0.00 -0.52 0.00 0.00 55.73 54.20 2ksh s ARG 33 Cb -0.14 -2.56 -0.04 0.00 0.52 0.00 0.00 34.95 32.73 2ksh s ARG 33 CO 0.05 -0.22 0.20 0.42 0.02 0.00 0.00 175.30 175.76 2ksh s ILE 34 N 1.29 5.23 -0.03 1.52 -1.09 0.20 -1.92 121.20 126.40 2ksh s ILE 34 Ca 0.05 0.03 -0.00 0.00 -2.23 0.00 0.00 60.65 58.49 2ksh s ILE 34 Cb -0.13 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 2ksh s ILE 34 CO -0.13 0.18 0.04 0.42 -1.23 0.00 0.00 174.94 174.22 2ksh s THR 35 N 1.74 4.51 -0.40 2.92 -4.23 -1.19 -1.31 115.64 117.67 2ksh s THR 35 Ca 0.07 -0.40 -0.13 0.00 -1.18 0.00 0.00 61.69 60.04 2ksh s THR 35 Cb -0.16 -3.01 0.03 0.00 1.34 0.00 0.00 72.50 70.70 2ksh s THR 35 CO 0.10 0.43 0.28 -1.58 -0.54 0.00 0.00 174.62 173.31 2ksh s GLN 36 N -1.46 2.90 0.00 3.99 0.74 0.21 -2.67 119.66 123.37 2ksh s GLN 36 Ca 0.19 -1.10 0.00 0.00 0.05 0.00 0.00 55.36 54.51 2ksh s GLN 36 Cb -0.12 -3.90 0.00 0.00 1.10 0.00 0.00 33.01 30.09 2ksh s GLN 36 CO 0.10 -0.77 0.00 0.41 -0.55 0.00 0.00 175.29 174.48 2ksh n GLY 37 N 5.10 1.38 0.00 2.59 0.00 -1.26 -3.13 105.19 109.87 2ksh n GLY 37 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -5.08 105.19 101.83 2ksh n GLY 38 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.42 0.26 1.61 2.20 -1.18 -5.07 119.74 117.98 2ksh s LYS 39 Ca 0.00 -0.45 -0.31 0.00 -0.36 0.00 0.00 55.97 54.85 2ksh s LYS 39 Cb 0.00 -0.27 -0.12 0.00 -1.51 0.00 0.00 37.83 35.93 2ksh s LYS 39 CO 0.00 0.06 1.64 0.28 -0.36 0.00 0.00 175.35 176.97 2ksh n VAL 40 N 2.20 0.67 0.00 4.02 0.31 -1.26 0.64 118.33 124.91 2ksh n VAL 40 Ca -0.18 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 2ksh n VAL 40 Cb 0.57 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 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 2.77 0.00 -3.58 2.52 0.24 -0.43 -4.78 118.33 115.07 2ksh n VAL 41 Ca 0.11 -0.26 -0.05 0.00 -2.04 0.00 0.00 64.34 62.09 2ksh n VAL 41 Cb 0.36 0.98 -0.03 0.00 -1.47 0.00 0.00 33.84 33.68 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 -0.56 0.40 -0.05 7.34 2.20 -0.96 -5.04 119.74 123.08 2ksh s LYS 42 Ca 0.00 -0.11 -0.02 0.00 -0.36 0.00 0.00 55.97 55.49 2ksh s LYS 42 Cb 0.00 0.18 0.04 0.00 -1.51 0.00 0.00 37.83 36.54 2ksh s LYS 42 CO 0.00 -0.17 0.09 0.54 -0.36 0.00 0.00 175.35 175.46 2ksh s ASN 43 N -2.02 0.33 0.25 1.43 2.20 -1.26 -0.63 114.94 115.24 2ksh s ASN 43 Ca 0.07 0.18 0.07 0.00 -0.94 0.00 0.00 52.86 52.25 2ksh s ASN 43 Cb -0.01 0.06 -0.04 0.00 -2.00 0.00 0.00 41.25 39.26 2ksh s ASN 43 CO -0.05 -0.18 0.17 0.26 -2.94 0.00 0.00 177.10 174.36 2ksh s TRP 44 N 1.53 3.06 -0.06 1.54 0.52 0.15 -3.89 118.94 121.78 2ksh s TRP 44 Ca -0.04 -0.12 0.04 0.00 0.02 0.00 0.00 56.10 56.00 2ksh s TRP 44 Cb -0.12 -1.38 -0.00 0.00 -1.15 0.00 0.00 33.47 30.82 2ksh s TRP 44 CO -0.04 0.53 -0.19 0.54 0.02 0.00 0.00 176.95 177.81 2ksh s VAL 45 N -2.13 1.59 -0.29 4.03 0.11 -0.62 -1.00 120.40 122.10 2ksh s VAL 45 Ca 0.32 -0.79 -0.10 0.00 -2.93 0.00 0.00 61.98 58.49 2ksh s VAL 45 Cb -0.08 -1.38 -0.03 0.00 -1.53 0.00 0.00 36.38 33.37 2ksh s VAL 45 CO 0.24 0.45 0.16 -0.32 -3.33 0.00 0.00 175.10 172.30 2ksh s MET 46 N 0.17 3.67 -0.33 1.54 1.75 -0.37 -2.48 119.30 123.24 2ksh s MET 46 Ca -0.08 -0.50 -0.21 0.00 -1.25 0.00 0.00 55.69 53.65 2ksh s MET 46 Cb -0.14 -3.58 -0.00 0.00 2.84 0.00 0.00 34.83 33.95 2ksh s MET 46 CO 0.04 -0.27 0.67 0.34 -0.65 0.00 0.00 175.02 175.14 2ksh s ASP 47 N 1.69 6.49 0.04 1.11 -1.08 -0.75 -2.76 116.67 121.41 2ksh s ASP 47 Ca 0.06 0.33 0.22 0.00 -0.52 0.00 0.00 52.55 52.64 2ksh s ASP 47 Cb -0.16 -2.34 -0.19 0.00 -1.46 0.00 0.00 42.92 38.76 2ksh s ASP 47 CO 0.08 -0.57 0.73 0.18 0.52 0.00 0.00 175.17 176.11 2ksh n LEU 48 N 6.05 0.37 0.12 -1.34 7.99 -1.26 -2.00 117.00 126.93 2ksh n LEU 48 Ca -0.00 0.03 -0.21 0.00 -0.01 0.00 0.00 56.01 55.82 2ksh n LEU 48 Cb 0.49 -0.03 -0.14 0.00 -0.11 0.00 0.00 43.42 43.63 2ksh n LEU 48 CO 0.49 -0.02 -0.12 0.50 -1.51 0.00 0.00 177.39 176.73 2ksh h LYS 49 N 0.00 0.49 0.00 3.23 1.63 -1.91 -3.34 116.57 116.67 2ksh h LYS 49 Ca 0.00 -0.75 0.00 0.00 -0.85 0.00 0.00 60.65 59.05 2ksh h LYS 49 Cb 0.92 0.27 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 2ksh h LYS 49 CO 0.00 1.35 -1.32 -1.71 -3.45 0.00 0.00 179.45 174.32 2ksh n ASN 50 N -3.69 0.85 -2.60 4.20 5.15 -1.26 -5.01 115.26 112.90 2ksh n ASN 50 Ca -0.13 -0.46 -0.12 0.00 -0.60 0.00 0.00 54.58 53.27 2ksh n ASN 50 Cb 1.04 1.41 0.06 0.00 -0.53 0.00 0.00 39.78 41.75 2ksh n ASN 50 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2ksh n VAL 51 N -1.76 -3.80 -3.85 3.44 0.31 -0.85 -5.04 118.33 106.78 2ksh n VAL 51 Ca 0.00 -0.30 -0.12 0.00 -0.01 0.00 0.00 64.34 63.91 2ksh n VAL 51 Cb 0.37 -4.07 -0.11 0.00 -0.91 0.00 0.00 33.84 29.13 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 -4.98 0.39 -0.15 5.55 2.20 -0.97 -4.81 119.74 116.97 2ksh s LYS 52 Ca 0.03 -0.18 -0.12 0.00 -0.36 0.00 0.00 55.97 55.34 2ksh s LYS 52 Cb -0.01 0.17 -0.05 0.00 -1.51 0.00 0.00 37.83 36.43 2ksh s LYS 52 CO 0.48 -0.09 0.24 -0.51 -0.36 0.00 0.00 175.35 175.12 2ksh s LEU 53 N -0.89 4.29 0.11 5.43 1.02 -1.26 -1.81 118.68 125.56 2ksh s LEU 53 Ca -0.10 0.48 -0.04 0.00 0.02 0.00 0.00 54.13 54.49 2ksh s LEU 53 Cb -0.05 -2.27 -0.02 0.00 0.02 0.00 0.00 46.19 43.86 2ksh s LEU 53 CO 0.01 0.20 0.11 -0.69 0.02 0.00 0.00 176.35 176.00 2ksh s VAL 54 N 0.01 0.13 -0.45 -1.59 1.01 -1.03 -5.01 120.40 113.47 2ksh s VAL 54 Ca 0.15 -1.61 -0.18 0.00 0.00 0.00 0.00 61.98 60.35 2ksh s VAL 54 Cb -0.13 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.59 2ksh s VAL 54 CO 0.03 -0.61 0.50 -1.83 0.00 0.00 0.00 175.10 173.19 2ksh s GLU 55 N -3.95 3.10 0.25 2.72 -1.05 -1.26 -1.59 118.70 116.92 2ksh s GLU 55 Ca 0.14 -0.83 -0.13 0.00 -0.15 0.00 0.00 54.97 54.00 2ksh s GLU 55 Cb 0.06 -4.02 -0.00 0.00 -0.44 0.00 0.00 34.13 29.73 2ksh s GLU 55 CO -0.05 -0.98 0.49 0.45 0.95 0.00 0.00 175.26 176.12 2ksh s SER 56 N 2.15 -0.06 0.00 0.83 0.15 -1.25 -4.92 113.70 110.59 2ksh s SER 56 Ca 0.13 -0.94 0.07 0.00 0.70 0.00 0.00 55.95 55.90 2ksh s SER 56 Cb -0.18 0.60 0.16 0.00 -1.71 0.00 0.00 66.02 64.88 2ksh s SER 56 CO 0.13 -1.16 1.06 -0.67 1.20 0.00 0.00 173.24 173.79 2ksh n ASP 57 N -0.43 2.34 -4.38 5.45 -0.08 -1.26 -4.04 116.55 114.15 2ksh n ASP 57 Ca -0.02 -1.84 -0.33 0.00 -1.51 0.00 0.00 54.79 51.09 2ksh n ASP 57 Cb 0.62 -0.11 0.12 0.00 2.34 0.00 0.00 41.12 44.09 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 0.17 -2.31 -4.84 1.67 2.03 -1.26 -4.96 116.55 107.04 2ksh n ASP 58 Ca 0.06 0.27 -0.37 0.00 0.52 0.00 0.00 54.79 55.27 2ksh n ASP 58 Cb 0.31 -1.16 -0.06 0.00 -0.72 0.00 0.00 41.12 39.50 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 -2.36 3.70 0.47 -1.67 0.00 -1.26 -4.96 121.76 115.69 2ksh s ALA 59 Ca 0.56 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.29 2ksh s ALA 59 Cb -0.20 -2.36 -0.02 0.00 0.00 0.00 0.00 23.12 20.54 2ksh s ALA 59 CO 0.68 0.50 0.04 0.00 0.00 0.00 0.00 175.76 176.98 2ksh s ALA 60 N -1.15 3.70 0.63 0.00 0.00 -1.26 -5.01 121.76 118.68 2ksh s ALA 60 Ca 0.26 -0.73 0.34 0.00 0.00 0.00 0.00 51.96 51.83 2ksh s ALA 60 Cb -0.16 0.26 1.90 0.00 0.00 0.00 0.00 23.12 25.12 2ksh s ALA 60 CO 0.14 -0.12 2.14 0.93 0.00 0.00 0.00 175.76 178.85 2ksh h GLU 61 N 1.51 0.00 -2.90 0.00 4.39 -1.79 -3.44 114.58 112.35 2ksh h GLU 61 Ca -0.41 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.30 2ksh h GLU 61 Cb 1.30 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.83 2ksh h GLU 61 CO 0.69 0.00 0.25 0.00 -1.16 0.00 0.00 179.01 178.79 2ksh s ALA 62 N -4.34 -1.58 -0.07 3.43 0.00 -1.26 -3.07 121.76 114.86 2ksh s ALA 62 Ca -0.04 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.39 2ksh s ALA 62 Cb 0.13 0.82 0.01 0.00 0.00 0.00 0.00 23.12 24.09 2ksh s ALA 62 CO 0.43 -0.80 -0.12 0.99 0.00 0.00 0.00 175.76 176.26 2ksh s THR 63 N -3.69 1.17 -0.31 0.00 2.01 -0.81 -1.93 115.64 112.10 2ksh s THR 63 Ca 0.03 -0.49 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 2ksh s THR 63 Cb -0.02 -1.08 0.06 0.00 0.01 0.00 0.00 72.50 71.47 2ksh s THR 63 CO -0.10 0.37 0.01 -0.76 -0.69 0.00 0.00 174.62 173.44 2ksh s LEU 64 N 0.77 3.99 -0.18 4.42 1.02 0.97 -0.04 118.68 129.62 2ksh s LEU 64 Ca -0.12 -1.38 -0.05 0.00 0.02 0.00 0.00 54.13 52.59 2ksh s LEU 64 Cb -0.16 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.32 2ksh s LEU 64 CO 0.02 -0.28 0.00 -0.89 0.02 0.00 0.00 176.35 175.23 2ksh s THR 65 N 1.21 4.17 0.01 5.49 2.01 -0.80 -1.01 115.64 126.72 2ksh s THR 65 Ca -0.04 -0.25 -0.29 0.00 0.31 0.00 0.00 61.69 61.43 2ksh s THR 65 Cb -0.20 -2.87 0.07 0.00 0.01 0.00 0.00 72.50 69.52 2ksh s THR 65 CO -0.02 0.46 0.68 0.00 -0.69 0.00 0.00 174.62 175.04 2ksh s MET 66 N 0.59 1.10 0.75 4.92 0.23 -0.81 -1.52 119.30 124.56 2ksh s MET 66 Ca -0.00 0.04 -0.15 0.00 -1.03 0.00 0.00 55.69 54.55 2ksh s MET 66 Cb -0.14 0.51 0.05 0.00 -1.53 0.00 0.00 34.83 33.73 2ksh s MET 66 CO 0.02 -0.39 1.21 -1.21 -2.03 0.00 0.00 175.02 172.63 2ksh s GLU 67 N -1.95 1.98 0.24 3.16 8.01 -1.26 -3.17 118.70 125.71 2ksh s GLU 67 Ca -0.07 1.78 -0.07 0.00 0.01 0.00 0.00 54.97 56.63 2ksh s GLU 67 Cb -0.00 -1.81 0.41 0.00 -4.31 0.00 0.00 34.13 28.42 2ksh s GLU 67 CO 0.03 -1.96 1.67 0.22 0.01 0.00 0.00 175.26 175.22 2ksh h ASP 68 N -0.46 -0.16 -0.72 -0.19 3.58 -1.87 0.31 116.42 116.91 2ksh h ASP 68 Ca -0.47 0.16 0.09 0.00 0.42 0.00 0.00 57.03 57.23 2ksh h ASP 68 Cb 1.30 0.26 -0.05 0.00 1.72 0.00 0.00 39.33 42.56 2ksh h ASP 68 CO 0.49 -0.10 0.48 -0.78 -2.88 0.00 0.00 179.24 176.44 2ksh h ASP 69 N 0.18 0.57 0.17 2.28 3.58 -1.90 -2.05 116.42 119.25 2ksh h ASP 69 Ca 0.39 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.84 2ksh h ASP 69 Cb 0.67 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.61 2ksh h ASP 69 CO -0.56 0.35 -0.08 0.40 -2.88 0.00 0.00 179.24 176.47 2ksh h ILE 70 N 0.64 0.92 -0.73 2.25 1.08 -0.72 -1.89 117.51 119.07 2ksh h ILE 70 Ca 0.33 -0.40 0.09 0.00 -0.39 0.00 0.00 64.86 64.49 2ksh h ILE 70 Cb 0.44 1.17 -0.07 0.00 -3.07 0.00 0.00 36.82 35.29 2ksh h ILE 70 CO -0.11 0.09 0.38 -0.03 -0.69 0.00 0.00 178.15 177.79 2ksh h MET 71 N -0.41 0.63 -0.83 2.37 4.05 -0.94 -0.60 114.93 119.21 2ksh h MET 71 Ca -0.02 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.34 2ksh h MET 71 Cb 0.32 -0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 30.94 2ksh h MET 71 CO 0.04 0.42 0.45 0.35 0.23 0.00 0.00 176.91 178.40 2ksh h PHE 72 N 0.65 1.14 0.05 1.39 3.57 -1.28 0.18 116.94 122.64 2ksh h PHE 72 Ca 0.35 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 2ksh h PHE 72 Cb 0.34 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2ksh h PHE 72 CO -0.09 0.79 -0.03 0.00 -2.23 0.00 0.00 178.31 176.75 2ksh h ALA 73 N 1.34 -0.07 0.00 2.41 0.00 -0.39 -0.10 119.26 122.45 2ksh h ALA 73 Ca 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2ksh h ALA 73 Cb 0.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2ksh h ALA 73 CO -0.05 -0.39 0.00 0.82 0.00 0.00 0.00 179.25 179.64 2ksh h ILE 74 N -0.38 0.00 0.16 0.00 2.04 -0.99 0.37 117.51 118.71 2ksh h ILE 74 Ca -0.01 -0.39 -0.34 0.00 1.00 0.00 0.00 64.86 65.12 2ksh h ILE 74 Cb 0.34 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2ksh h ILE 74 CO 0.01 0.00 -1.72 1.23 0.00 0.00 0.00 178.15 177.67 2ksh h GLY 75 N 2.13 0.39 -3.21 5.37 0.00 -0.39 -3.33 103.07 104.02 2ksh h GLY 75 Ca 0.00 -0.99 -0.23 0.00 0.00 0.00 0.00 47.33 46.10 2ksh h GLY 75 CO 0.00 0.87 0.30 -1.30 0.00 0.00 0.00 176.54 176.41 2ksh n THR 76 N -3.53 2.36 -1.57 4.70 -2.24 -0.07 -4.86 114.28 109.06 2ksh n THR 76 Ca -0.23 -1.23 -0.14 0.00 -2.27 0.00 0.00 64.05 60.18 2ksh n THR 76 Cb 1.07 -0.52 -0.05 0.00 -2.10 0.00 0.00 70.33 68.73 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 -0.26 1.01 0.00 3.38 0.00 -1.11 -4.86 105.19 103.34 2ksh n GLY 77 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 0.10 -0.15 -2.53 4.61 0.00 0.13 -4.88 120.51 117.79 2ksh n ALA 78 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.98 2ksh n ALA 78 Cb 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.71 2.91 0.21 0.00 1.43 -1.10 -5.00 118.68 114.43 2ksh s LEU 79 Ca 0.00 -0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 2ksh s LEU 79 Cb 0.00 -1.68 -0.09 0.00 0.03 0.00 0.00 46.19 44.45 2ksh s LEU 79 CO 0.00 0.28 1.29 -2.16 0.23 0.00 0.00 176.35 175.99 2ksh s PRO 80 N -1.35 4.40 0.57 1.29 0.04 -1.26 -3.62 135.00 135.07 2ksh s PRO 80 Ca 0.16 2.05 0.26 0.00 0.04 0.00 0.00 61.00 63.50 2ksh s PRO 80 Cb -0.11 -3.19 1.68 0.00 0.04 0.00 0.00 34.50 32.92 2ksh s PRO 80 CO 0.06 -0.22 2.23 0.00 0.04 0.00 0.00 177.00 179.11 2ksh h ALA 81 N 5.14 1.66 0.44 8.56 0.00 -1.96 -2.27 119.26 130.83 2ksh h ALA 81 Ca -0.45 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2ksh h ALA 81 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2ksh h ALA 81 CO 0.76 -0.00 -0.21 0.87 0.00 0.00 0.00 179.25 180.66 2ksh h LYS 82 N 0.00 -0.57 -0.35 0.00 1.57 -2.00 -2.80 116.57 112.41 2ksh h LYS 82 Ca 0.00 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 2ksh h LYS 82 Cb 0.00 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 2ksh h LYS 82 CO -0.00 -0.27 0.07 1.49 -0.57 0.00 0.00 179.45 180.17 2ksh h GLU 83 N -0.99 0.18 -0.99 3.15 4.57 -1.90 -1.45 114.58 117.15 2ksh h GLU 83 Ca -0.06 -0.01 0.21 0.00 -1.18 0.00 0.00 59.36 58.32 2ksh h GLU 83 Cb 0.57 -0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 29.02 2ksh h GLU 83 CO 0.10 0.12 0.62 0.00 -1.18 0.00 0.00 179.01 178.67 2ksh h ALA 84 N 1.27 1.84 -0.16 2.92 0.00 -1.48 0.31 119.26 123.96 2ksh h ALA 84 Ca 0.17 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2ksh h ALA 84 Cb 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2ksh h ALA 84 CO -0.22 -0.22 -0.29 1.98 0.00 0.00 0.00 179.25 180.50 2ksh h MET 85 N 0.65 0.31 0.00 0.00 4.05 -0.99 -1.83 114.93 117.11 2ksh h MET 85 Ca 0.57 -0.11 -0.09 0.00 -0.28 0.00 0.00 59.70 59.79 2ksh h MET 85 Cb 1.05 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.82 2ksh h MET 85 CO -0.35 0.58 -0.43 0.00 0.23 0.00 0.00 176.91 176.93 2ksh h ALA 86 N 1.43 0.96 -0.25 0.39 0.00 -0.07 -2.73 119.26 119.00 2ksh h ALA 86 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2ksh h ALA 86 Cb 0.66 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2ksh h ALA 86 CO 0.05 0.54 0.00 1.04 0.00 0.00 0.00 179.25 180.88 2ksh n GLN 87 N -3.56 1.61 -1.30 0.00 6.02 -0.63 -4.87 117.38 114.65 2ksh n GLN 87 Ca -0.00 -0.94 -0.10 0.00 -0.01 0.00 0.00 57.00 55.94 2ksh n GLN 87 Cb 0.55 -1.23 -0.04 0.00 1.02 0.00 0.00 30.24 30.53 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 0.25 -5.41 -0.27 1.08 2.03 -1.03 -4.81 116.55 108.39 2ksh n ASP 88 Ca 0.10 0.25 0.15 0.00 0.52 0.00 0.00 54.79 55.81 2ksh n ASP 88 Cb 0.23 -3.82 0.67 0.00 -0.72 0.00 0.00 41.12 37.48 2ksh n ASP 88 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ksh n LYS 89 N -1.14 1.29 -3.59 -0.67 5.02 -0.73 -4.87 118.16 113.48 2ksh n LYS 89 Ca -0.10 -0.54 -0.11 0.00 -2.02 0.00 0.00 58.31 55.54 2ksh n LYS 89 Cb 0.53 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 34.00 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 -2.08 0.60 0.28 1.97 0.23 -1.21 -4.23 119.30 114.87 2ksh s MET 90 Ca 0.40 0.25 0.04 0.00 -1.03 0.00 0.00 55.69 55.35 2ksh s MET 90 Cb 0.21 0.29 -0.06 0.00 -1.53 0.00 0.00 34.83 33.74 2ksh s MET 90 CO 0.37 -0.17 0.02 -1.21 -2.03 0.00 0.00 175.02 172.00 2ksh s GLU 91 N -0.82 1.51 -0.10 3.16 0.41 -0.57 -4.28 118.70 118.01 2ksh s GLU 91 Ca -0.01 -1.80 -0.14 0.00 -0.41 0.00 0.00 54.97 52.61 2ksh s GLU 91 Cb -0.01 -0.81 0.03 0.00 -1.78 0.00 0.00 34.13 31.56 2ksh s GLU 91 CO 0.00 -0.12 0.36 0.08 -0.49 0.00 0.00 175.26 175.10 2ksh s VAL 92 N -3.30 0.02 0.41 2.63 1.01 -1.26 -1.90 120.40 118.00 2ksh s VAL 92 Ca 0.32 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.19 2ksh s VAL 92 Cb 0.07 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 2ksh s VAL 92 CO 0.12 -0.08 0.05 -0.62 0.00 0.00 0.00 175.10 174.57 2ksh s ASP 93 N -0.33 3.25 0.39 3.32 2.15 0.94 -4.95 116.67 121.43 2ksh s ASP 93 Ca -0.05 -1.49 0.00 0.00 0.43 0.00 0.00 52.55 51.44 2ksh s ASP 93 Cb -0.03 0.08 0.00 0.00 -0.30 0.00 0.00 42.92 42.67 2ksh s ASP 93 CO 0.02 -0.68 0.00 0.61 -0.17 0.00 0.00 175.17 174.95 2ksh n GLY 94 N -0.93 0.98 3.34 2.66 0.00 -1.26 -1.92 105.19 108.05 2ksh n GLY 94 Ca -0.07 -1.03 -0.45 0.00 0.00 0.00 0.00 46.02 44.46 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 2.98 0.42 1.61 -1.52 -1.17 -4.93 119.66 117.05 2ksh s GLN 95 Ca 0.00 -1.58 0.25 0.00 -1.95 0.00 0.00 55.36 52.08 2ksh s GLN 95 Cb 0.00 -4.23 1.28 0.00 -0.22 0.00 0.00 33.01 29.83 2ksh s GLN 95 CO 0.00 -1.22 1.70 0.28 -0.25 0.00 0.00 175.29 175.80 2ksh h VAL 96 N 5.84 0.32 -0.05 1.09 2.07 -1.94 0.20 116.25 123.77 2ksh h VAL 96 Ca -0.29 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 2ksh h VAL 96 Cb 1.10 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2ksh h VAL 96 CO 0.98 0.04 -0.04 -0.33 0.02 0.00 0.00 177.57 178.24 2ksh h GLU 97 N 0.23 0.12 0.13 1.57 5.08 -1.97 -1.26 114.58 118.48 2ksh h GLU 97 Ca 0.71 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 59.03 2ksh h GLU 97 Cb 2.06 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.26 2ksh h GLU 97 CO -0.36 0.53 -0.49 -0.07 -1.00 0.00 0.00 179.01 177.62 2ksh h LEU 98 N -0.29 -1.47 -1.73 1.33 -0.00 -1.04 0.48 115.31 112.59 2ksh h LEU 98 Ca 0.01 0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 58.04 2ksh h LEU 98 Cb 0.50 0.55 -0.01 0.00 -0.00 0.00 0.00 40.66 41.70 2ksh h LEU 98 CO 0.01 -0.54 0.04 0.16 -0.00 0.00 0.00 178.44 178.11 2ksh h ILE 99 N -0.73 1.08 -0.13 1.22 -0.00 -1.48 -1.82 117.51 115.64 2ksh h ILE 99 Ca 0.00 -0.27 -0.14 0.00 -0.00 0.00 0.00 64.86 64.46 2ksh h ILE 99 Cb 0.74 0.92 -0.01 0.00 -0.00 0.00 0.00 36.82 38.48 2ksh h ILE 99 CO -0.27 0.09 -0.52 0.15 -0.00 0.00 0.00 178.15 177.60 2ksh h PHE 100 N 0.21 0.46 0.00 0.16 3.57 0.02 -2.64 116.94 118.72 2ksh h PHE 100 Ca 0.05 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.40 2ksh h PHE 100 Cb 0.08 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2ksh h PHE 100 CO 0.00 0.82 0.00 1.28 -2.23 0.00 0.00 178.31 178.18 2ksh n LEU 101 N -3.95 0.01 0.07 0.59 7.99 0.16 -2.28 117.00 119.58 2ksh n LEU 101 Ca -0.02 0.50 -0.19 0.00 -0.01 0.00 0.00 56.01 56.29 2ksh n LEU 101 Cb 0.57 -0.50 -0.14 0.00 -0.11 0.00 0.00 43.42 43.23 2ksh n LEU 101 CO 0.45 -0.30 -0.39 -0.07 -1.51 0.00 0.00 177.39 175.57 2ksh h LEU 102 N 0.00 0.47 -0.46 2.23 3.38 -1.42 -3.30 115.31 116.20 2ksh h LEU 102 Ca 0.00 -0.66 0.07 0.00 0.09 0.00 0.00 57.88 57.38 2ksh h LEU 102 Cb 0.21 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.71 2ksh h LEU 102 CO 0.00 1.55 -0.49 -0.33 0.09 0.00 0.00 178.44 179.26 2ksh h GLU 103 N 0.08 -0.31 0.00 1.13 3.07 -1.52 0.52 114.58 117.55 2ksh h GLU 103 Ca -0.27 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 2ksh h GLU 103 Cb 2.05 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 30.03 2ksh h GLU 103 CO 0.17 -0.21 0.00 -0.35 -1.40 0.00 0.00 179.01 177.22 2ksh n PRO 104 N -5.39 0.15 0.15 2.33 -0.04 -1.26 -2.24 135.00 128.70 2ksh n PRO 104 Ca -0.01 0.18 0.08 0.00 -0.04 0.00 0.00 63.50 63.70 2ksh n PRO 104 Cb 0.35 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.37 2ksh n PRO 104 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2ksh h PHE 105 N 0.00 0.00 0.00 0.54 3.57 -0.06 -3.28 116.94 117.72 2ksh h PHE 105 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2ksh h PHE 105 Cb 0.17 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 2ksh h PHE 105 CO 0.00 0.22 -0.01 0.82 -2.23 0.00 0.00 178.31 177.11 2ksh h ILE 106 N 0.00 0.83 -0.75 1.41 2.04 -1.02 -1.81 117.51 118.20 2ksh h ILE 106 Ca -0.02 -0.04 0.09 0.00 1.00 0.00 0.00 64.86 65.90 2ksh h ILE 106 Cb 1.19 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 2ksh h ILE 106 CO 0.03 0.01 0.49 0.00 0.00 0.00 0.00 178.15 178.68 2ksh h ALA 107 N 1.99 1.80 -0.04 1.87 0.00 -1.76 -2.42 119.26 120.70 2ksh h ALA 107 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2ksh h ALA 107 Cb 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2ksh h ALA 107 CO 0.00 0.04 -0.19 0.77 0.00 0.00 0.00 179.25 179.88 2ksh h SER 108 N 0.67 0.23 -3.13 0.00 0.02 -1.57 -3.39 113.55 106.39 2ksh h SER 108 Ca 0.34 -0.65 -0.74 0.00 -0.84 0.00 0.00 61.79 59.90 2ksh h SER 108 Cb 0.45 -0.07 -0.22 0.00 0.14 0.00 0.00 62.40 62.69 2ksh h SER 108 CO -0.12 0.85 0.05 -1.48 -1.14 0.00 0.00 176.83 174.98 2ksh s LEU 109 N -8.78 5.95 0.00 5.07 0.05 -0.91 -5.10 118.68 114.97 2ksh s LEU 109 Ca -0.15 -1.88 0.20 0.00 0.05 0.00 0.00 54.13 52.34 2ksh s LEU 109 Cb 0.02 -2.26 0.16 0.00 -2.05 0.00 0.00 46.19 42.06 2ksh s LEU 109 CO 0.73 -0.90 1.13 2.29 -0.55 0.00 0.00 176.35 179.06