#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 1.40 -0.05 7.83 1.04 -1.26 -5.15 113.70 117.52 2ksh s SER 2 Ca 0.00 -0.46 0.05 0.00 0.48 0.00 0.00 55.95 56.03 2ksh s SER 2 Cb 0.00 -0.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 2ksh s SER 2 CO 0.00 -0.02 -0.20 -0.76 0.98 0.00 0.00 173.24 173.24 2ksh s LEU 3 N -1.18 2.38 0.43 2.42 1.43 -1.26 -5.01 118.68 117.88 2ksh s LEU 3 Ca -0.01 -0.36 0.09 0.00 -1.03 0.00 0.00 54.13 52.83 2ksh s LEU 3 Cb -0.08 -1.45 0.95 0.00 0.03 0.00 0.00 46.19 45.64 2ksh s LEU 3 CO 0.01 0.31 2.07 0.11 0.23 0.00 0.00 176.35 179.08 2ksh h LYS 4 N 5.60 0.40 0.00 1.70 1.57 -2.01 -0.60 116.57 123.23 2ksh h LYS 4 Ca -0.41 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2ksh h LYS 4 Cb 1.15 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2ksh h LYS 4 CO 0.49 0.27 0.00 0.66 -0.57 0.00 0.00 179.45 180.30 2ksh h SER 5 N 0.41 0.00 -0.89 0.86 4.64 -1.94 -2.27 113.55 114.35 2ksh h SER 5 Ca 0.11 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.57 2ksh h SER 5 Cb -0.02 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.00 2ksh h SER 5 CO -0.02 0.00 0.58 0.44 -0.87 0.00 0.00 176.83 176.95 2ksh h ASP 6 N 0.00 0.67 -0.01 4.97 3.32 -1.50 -1.74 116.42 122.12 2ksh h ASP 6 Ca 0.00 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2ksh h ASP 6 Cb 0.04 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 2ksh h ASP 6 CO 0.00 0.34 0.01 -0.33 -1.72 0.00 0.00 179.24 177.54 2ksh h GLU 7 N 0.71 0.02 -0.41 3.56 5.08 -1.61 -2.19 114.58 119.74 2ksh h GLU 7 Ca 0.45 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.89 2ksh h GLU 7 Cb 0.70 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.87 2ksh h GLU 7 CO -0.21 0.17 -0.06 0.28 -1.00 0.00 0.00 179.01 178.19 2ksh h VAL 8 N -0.13 0.62 -0.73 3.13 2.07 -1.50 0.59 116.25 120.31 2ksh h VAL 8 Ca 0.00 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.54 2ksh h VAL 8 Cb 0.15 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 2ksh h VAL 8 CO -0.00 0.01 0.48 -0.26 0.02 0.00 0.00 177.57 177.82 2ksh h PHE 9 N 0.04 0.88 -0.39 1.57 0.04 -1.36 0.51 116.94 118.22 2ksh h PHE 9 Ca 0.20 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.89 2ksh h PHE 9 Cb 0.30 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 2ksh h PHE 9 CO -0.33 0.52 -0.15 0.00 -0.60 0.00 0.00 178.31 177.75 2ksh h ALA 10 N 1.57 0.55 -0.30 2.45 0.00 -0.44 -1.17 119.26 121.92 2ksh h ALA 10 Ca 0.28 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2ksh h ALA 10 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2ksh h ALA 10 CO -0.08 0.47 -0.13 0.87 0.00 0.00 0.00 179.25 180.39 2ksh h LYS 11 N 0.61 0.61 -0.46 0.00 1.57 -0.36 -2.72 116.57 115.82 2ksh h LYS 11 Ca 0.09 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 2ksh h LYS 11 Cb 0.70 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 2ksh h LYS 11 CO 0.05 0.83 0.04 0.82 -0.57 0.00 0.00 179.45 180.62 2ksh h ILE 12 N 0.36 1.22 -0.77 1.86 2.04 -0.90 -2.71 117.51 118.61 2ksh h ILE 12 Ca 0.07 -0.88 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 2ksh h ILE 12 Cb 0.64 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 2ksh h ILE 12 CO 0.04 0.31 0.32 0.00 0.00 0.00 0.00 178.15 178.83 2ksh h ALA 13 N 1.36 1.00 -0.15 1.87 0.00 -1.11 -1.97 119.26 120.26 2ksh h ALA 13 Ca 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2ksh h ALA 13 Cb 0.37 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2ksh h ALA 13 CO 0.01 0.62 -0.15 0.87 0.00 0.00 0.00 179.25 180.60 2ksh h LYS 14 N 1.12 0.23 0.00 0.00 1.57 -1.18 -2.04 116.57 116.27 2ksh h LYS 14 Ca 0.26 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 2ksh h LYS 14 Cb 0.20 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2ksh h LYS 14 CO -0.02 0.39 -0.31 0.00 -0.57 0.00 0.00 179.45 178.94 2ksh h ARG 15 N 0.22 0.00 0.00 3.15 3.08 -1.19 -3.05 114.38 116.59 2ksh h ARG 15 Ca 0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 2ksh h ARG 15 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 2ksh h ARG 15 CO 0.02 0.31 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.16 2ksh h LEU 16 N 0.00 0.00 0.00 3.04 3.38 -0.64 -1.86 115.31 119.24 2ksh h LEU 16 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ksh h LEU 16 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2ksh h LEU 16 CO 0.04 0.01 -0.20 -0.62 0.09 0.00 0.00 178.44 177.75 2ksh n GLU 17 N -3.10 0.02 0.01 1.13 1.02 -1.15 -3.46 120.64 115.11 2ksh n GLU 17 Ca 0.00 0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.26 2ksh n GLU 17 Cb 0.27 -1.52 -0.14 0.00 -0.02 0.00 0.00 31.44 30.03 2ksh n GLU 17 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2ksh n SER 18 N -1.56 0.16 -4.65 1.62 2.88 -0.71 -4.97 113.62 106.38 2ksh n SER 18 Ca 0.06 0.06 -0.42 0.00 -1.33 0.00 0.00 58.87 57.25 2ksh n SER 18 Cb 0.35 1.70 0.01 0.00 -0.75 0.00 0.00 64.21 65.52 2ksh n SER 18 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2ksh n ILE 19 N -2.34 2.43 -4.28 2.46 5.41 -1.12 -5.01 119.36 116.91 2ksh n ILE 19 Ca -0.04 -0.50 -0.24 0.00 1.00 0.00 0.00 62.75 62.98 2ksh n ILE 19 Cb 0.57 -1.33 -0.12 0.00 -0.71 0.00 0.00 39.64 38.05 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 -0.61 2.48 0.51 4.38 2.15 -1.26 -5.03 116.67 119.28 2ksh s ASP 20 Ca 0.61 -0.68 0.29 0.00 0.43 0.00 0.00 52.55 53.20 2ksh s ASP 20 Cb -0.55 -0.13 1.23 0.00 -0.30 0.00 0.00 42.92 43.16 2ksh s ASP 20 CO 0.58 0.05 1.94 1.55 -0.17 0.00 0.00 175.17 179.12 2ksh h PRO 21 N 4.08 0.00 0.46 4.34 0.13 -2.02 -3.22 132.00 135.77 2ksh h PRO 21 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 2ksh h PRO 21 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2ksh h PRO 21 CO 0.40 0.11 -0.25 0.00 -0.23 0.00 0.00 178.00 178.02 2ksh h ALA 22 N 1.89 -0.66 -2.76 -0.56 0.00 -2.02 -3.39 119.26 111.75 2ksh h ALA 22 Ca -0.00 -0.14 -0.68 0.00 0.00 0.00 0.00 54.91 54.09 2ksh h ALA 22 Cb 0.57 0.30 -0.21 0.00 0.00 0.00 0.00 17.79 18.45 2ksh h ALA 22 CO 0.01 -0.88 -0.51 -0.80 0.00 0.00 0.00 179.25 177.08 2ksh s ASN 23 N -4.61 5.86 0.00 0.00 0.01 -1.22 -5.03 114.94 109.95 2ksh s ASN 23 Ca -0.16 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 51.46 2ksh s ASN 23 Cb 0.05 -2.08 0.00 0.00 0.41 0.00 0.00 41.25 39.62 2ksh s ASN 23 CO 0.63 -0.24 0.00 -1.14 -1.51 0.00 0.00 177.10 174.84 2ksh n ARG 24 N 5.06 0.00 0.04 -0.60 3.00 -1.26 -4.62 116.66 118.28 2ksh n ARG 24 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.72 2ksh n ARG 24 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.95 2ksh n ARG 24 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2ksh n GLN 25 N -0.01 0.00 -3.79 -0.14 7.27 -1.26 -5.11 117.38 114.33 2ksh n GLN 25 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.94 2ksh n GLN 25 Cb 0.00 -0.25 -0.12 0.00 2.41 0.00 0.00 30.24 32.28 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 -2.00 0.00 -0.07 1.69 0.11 -1.26 -5.15 120.40 113.72 2ksh s VAL 26 Ca 0.00 -0.02 -0.03 0.00 -2.93 0.00 0.00 61.98 59.00 2ksh s VAL 26 Cb 0.00 -0.33 0.04 0.00 -1.53 0.00 0.00 36.38 34.56 2ksh s VAL 26 CO 0.00 -0.01 0.14 -1.61 -3.33 0.00 0.00 175.10 170.29 2ksh s GLU 27 N 0.07 0.02 0.23 1.54 8.01 -1.26 -5.14 118.70 122.16 2ksh s GLU 27 Ca -0.01 0.51 -0.01 0.00 0.01 0.00 0.00 54.97 55.48 2ksh s GLU 27 Cb -0.02 -0.31 -0.04 0.00 -4.31 0.00 0.00 34.13 29.46 2ksh s GLU 27 CO 0.00 -0.30 0.18 -1.01 0.01 0.00 0.00 175.26 174.15 2ksh s HIS 28 N 2.17 1.19 0.32 1.61 3.76 -1.26 -5.09 115.29 117.98 2ksh s HIS 28 Ca 0.02 -1.37 -0.24 0.00 -0.15 0.00 0.00 55.06 53.32 2ksh s HIS 28 Cb -0.12 -0.52 -0.10 0.00 1.11 0.00 0.00 32.58 32.95 2ksh s HIS 28 CO -0.05 -0.71 0.90 0.08 -0.85 0.00 0.00 174.74 174.11 2ksh s VAL 29 N -4.02 4.31 0.19 -0.90 1.01 -1.26 -4.84 120.40 114.89 2ksh s VAL 29 Ca 0.38 1.67 0.03 0.00 0.00 0.00 0.00 61.98 64.06 2ksh s VAL 29 Cb 0.06 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 2ksh s VAL 29 CO 0.14 0.09 -0.03 -0.47 0.00 0.00 0.00 175.10 174.83 2ksh s TYR 30 N -1.68 1.38 -0.08 5.22 5.04 -1.25 -3.11 117.35 122.87 2ksh s TYR 30 Ca 0.50 -0.90 0.02 0.00 -2.44 0.00 0.00 57.07 54.26 2ksh s TYR 30 Cb -0.17 -0.77 0.01 0.00 0.35 0.00 0.00 41.96 41.38 2ksh s TYR 30 CO 0.22 -0.05 -0.14 0.21 -1.34 0.00 0.00 175.55 174.45 2ksh s LYS 31 N -3.84 1.97 -0.33 4.97 2.47 -1.04 -1.47 119.74 122.47 2ksh s LYS 31 Ca 0.24 -0.50 0.03 0.00 -1.56 0.00 0.00 55.97 54.19 2ksh s LYS 31 Cb 0.05 -1.62 0.10 0.00 -1.46 0.00 0.00 37.83 34.90 2ksh s LYS 31 CO 0.05 0.02 0.04 -0.06 0.16 0.00 0.00 175.35 175.56 2ksh s PHE 32 N 0.71 3.53 -0.28 4.03 0.40 0.78 -0.38 117.98 126.77 2ksh s PHE 32 Ca -0.13 -2.83 -0.10 0.00 -0.60 0.00 0.00 56.93 53.27 2ksh s PHE 32 Cb -0.16 -2.73 -0.03 0.00 0.51 0.00 0.00 43.02 40.61 2ksh s PHE 32 CO 0.03 -0.94 0.15 -0.98 0.70 0.00 0.00 175.22 174.18 2ksh s ARG 33 N 0.98 3.66 -0.12 0.44 1.70 -0.69 -0.02 118.95 124.90 2ksh s ARG 33 Ca 0.09 -0.50 -0.14 0.00 -0.47 0.00 0.00 55.73 54.71 2ksh s ARG 33 Cb -0.19 -3.55 -0.05 0.00 -0.57 0.00 0.00 34.95 30.60 2ksh s ARG 33 CO -0.09 -0.27 0.33 0.42 -1.08 0.00 0.00 175.30 174.61 2ksh s ILE 34 N 1.67 5.25 -0.07 4.99 1.01 -0.73 -2.04 121.20 131.28 2ksh s ILE 34 Ca 0.06 0.63 -0.04 0.00 0.00 0.00 0.00 60.65 61.31 2ksh s ILE 34 Cb -0.16 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 2ksh s ILE 34 CO 0.07 0.44 0.10 0.42 0.00 0.00 0.00 174.94 175.98 2ksh s THR 35 N 0.03 5.05 -0.42 2.92 -4.23 -1.25 -1.86 115.64 115.88 2ksh s THR 35 Ca 0.19 -0.08 -0.15 0.00 -1.18 0.00 0.00 61.69 60.47 2ksh s THR 35 Cb -0.14 -3.23 0.03 0.00 1.34 0.00 0.00 72.50 70.50 2ksh s THR 35 CO 0.07 0.52 0.34 -1.58 -0.54 0.00 0.00 174.62 173.43 2ksh s GLN 36 N -1.26 2.99 0.00 3.99 0.74 0.23 -3.61 119.66 122.74 2ksh s GLN 36 Ca 0.18 -1.03 0.00 0.00 0.05 0.00 0.00 55.36 54.56 2ksh s GLN 36 Cb -0.12 -4.00 0.00 0.00 1.10 0.00 0.00 33.01 29.99 2ksh s GLN 36 CO 0.08 -0.82 0.00 0.41 -0.55 0.00 0.00 175.29 174.41 2ksh n GLY 37 N 5.16 1.50 0.00 2.59 0.00 -1.26 -3.16 105.19 110.03 2ksh n GLY 37 Ca -0.11 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2ksh n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ksh n GLY 38 N 0.00 0.00 2.97 -0.02 0.00 -1.26 -5.15 105.19 101.73 2ksh n GLY 38 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.41 0.44 1.61 2.47 -1.19 -5.05 119.74 118.42 2ksh s LYS 39 Ca 0.00 -0.28 -0.25 0.00 -1.56 0.00 0.00 55.97 53.88 2ksh s LYS 39 Cb 0.00 -0.35 -0.09 0.00 -1.46 0.00 0.00 37.83 35.93 2ksh s LYS 39 CO 0.00 0.09 1.21 1.55 0.16 0.00 0.00 175.35 178.36 2ksh n VAL 40 N 2.67 2.67 0.00 4.02 3.14 -1.26 0.74 118.33 130.30 2ksh n VAL 40 Ca -0.15 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.73 2ksh n VAL 40 Cb 0.58 -1.46 0.00 0.00 -1.06 0.00 0.00 33.84 31.89 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 -0.39 0.00 -3.88 1.55 3.14 -0.78 -4.71 118.33 113.26 2ksh n VAL 41 Ca 0.08 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.37 2ksh n VAL 41 Cb 0.40 -0.36 -0.08 0.00 -1.06 0.00 0.00 33.84 32.74 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 -1.39 0.78 -0.04 1.45 2.20 -1.16 -5.06 119.74 116.52 2ksh s LYS 42 Ca 0.00 -0.90 -0.00 0.00 -0.36 0.00 0.00 55.97 54.71 2ksh s LYS 42 Cb 0.00 0.31 0.03 0.00 -1.51 0.00 0.00 37.83 36.66 2ksh s LYS 42 CO 0.00 -0.23 -0.00 -0.80 -0.36 0.00 0.00 175.35 173.95 2ksh s ASN 43 N -2.66 0.87 -0.08 1.43 0.01 -1.26 -1.78 114.94 111.47 2ksh s ASN 43 Ca 0.02 -0.05 -0.01 0.00 -0.71 0.00 0.00 52.86 52.11 2ksh s ASN 43 Cb 0.04 -0.32 -0.03 0.00 0.41 0.00 0.00 41.25 41.35 2ksh s ASN 43 CO -0.09 -0.12 -0.00 0.26 -1.51 0.00 0.00 177.10 175.63 2ksh s TRP 44 N 1.31 3.15 -0.03 2.20 0.52 0.97 -3.86 118.94 123.20 2ksh s TRP 44 Ca -0.05 0.18 0.04 0.00 0.02 0.00 0.00 56.10 56.29 2ksh s TRP 44 Cb -0.13 -1.78 -0.03 0.00 -1.15 0.00 0.00 33.47 30.38 2ksh s TRP 44 CO -0.02 0.46 -0.15 0.08 0.02 0.00 0.00 176.95 177.34 2ksh s VAL 45 N -0.90 3.01 -0.44 4.03 1.01 -0.29 -0.16 120.40 126.67 2ksh s VAL 45 Ca 0.14 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.13 2ksh s VAL 45 Cb -0.11 -2.21 0.05 0.00 0.00 0.00 0.00 36.38 34.11 2ksh s VAL 45 CO 0.03 0.52 0.34 -0.32 0.00 0.00 0.00 175.10 175.67 2ksh s MET 46 N -0.93 2.95 -0.14 2.72 1.75 -0.54 -2.07 119.30 123.05 2ksh s MET 46 Ca 0.13 -1.21 -0.29 0.00 -1.25 0.00 0.00 55.69 53.07 2ksh s MET 46 Cb -0.11 -4.03 -0.03 0.00 2.84 0.00 0.00 34.83 33.50 2ksh s MET 46 CO 0.02 -0.89 1.38 0.34 -0.65 0.00 0.00 175.02 175.22 2ksh s ASP 47 N 2.15 6.85 0.16 1.11 2.15 1.00 -3.91 116.67 126.17 2ksh s ASP 47 Ca 0.04 1.83 0.21 0.00 0.43 0.00 0.00 52.55 55.06 2ksh s ASP 47 Cb -0.22 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.82 2ksh s ASP 47 CO 0.08 -0.82 0.97 0.25 -0.17 0.00 0.00 175.17 175.48 2ksh h LEU 48 N 9.93 0.00 0.00 -1.34 7.12 -1.88 -0.27 115.31 128.87 2ksh h LEU 48 Ca -0.30 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 57.44 2ksh h LEU 48 Cb 1.12 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 41.27 2ksh h LEU 48 CO 0.97 0.20 -1.12 0.07 -0.13 0.00 0.00 178.44 178.43 2ksh h LYS 49 N 0.00 0.52 0.00 1.25 2.10 -1.95 -3.32 116.57 115.17 2ksh h LYS 49 Ca -0.06 -0.65 0.00 0.00 -2.00 0.00 0.00 60.65 57.95 2ksh h LYS 49 Cb 1.20 0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.73 2ksh h LYS 49 CO 0.02 1.26 -1.08 0.09 -2.00 0.00 0.00 179.45 177.73 2ksh n ASN 50 N -3.75 0.85 -2.35 7.07 3.02 -1.26 -4.99 115.26 113.85 2ksh n ASN 50 Ca -0.10 -0.66 -0.17 0.00 -0.03 0.00 0.00 54.58 53.62 2ksh n ASN 50 Cb 0.93 1.22 0.03 0.00 -0.61 0.00 0.00 39.78 41.35 2ksh n ASN 50 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2ksh n VAL 51 N -1.60 -1.53 -4.28 2.41 0.31 -0.16 -5.01 118.33 108.46 2ksh n VAL 51 Ca 0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.19 2ksh n VAL 51 Cb 0.32 -2.91 -0.10 0.00 -0.91 0.00 0.00 33.84 30.24 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 -5.41 1.18 -0.13 5.55 2.20 -0.94 -4.70 119.74 117.48 2ksh s LYS 52 Ca 0.23 -1.54 -0.02 0.00 -0.36 0.00 0.00 55.97 54.27 2ksh s LYS 52 Cb -0.10 -0.64 -0.03 0.00 -1.51 0.00 0.00 37.83 35.55 2ksh s LYS 52 CO 0.28 0.01 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.72 2ksh s LEU 53 N -3.23 3.16 0.29 5.43 1.02 -1.26 -0.00 118.68 124.09 2ksh s LEU 53 Ca 0.21 -0.13 -0.03 0.00 0.02 0.00 0.00 54.13 54.21 2ksh s LEU 53 Cb 0.04 -1.74 -0.01 0.00 0.02 0.00 0.00 46.19 44.50 2ksh s LEU 53 CO 0.04 0.22 0.38 0.68 0.02 0.00 0.00 176.35 177.69 2ksh s VAL 54 N 0.05 0.00 -0.45 -1.59 -7.23 -0.88 -4.99 120.40 105.31 2ksh s VAL 54 Ca -0.01 -1.68 -0.19 0.00 -1.81 0.00 0.00 61.98 58.28 2ksh s VAL 54 Cb -0.14 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.33 2ksh s VAL 54 CO 0.03 0.00 0.58 -0.70 -0.31 0.00 0.00 175.10 174.70 2ksh s GLU 55 N -3.53 3.19 0.26 4.82 -6.30 -1.26 -1.14 118.70 114.75 2ksh s GLU 55 Ca 0.32 -0.60 -0.13 0.00 -2.50 0.00 0.00 54.97 52.05 2ksh s GLU 55 Cb 0.01 -3.99 0.00 0.00 0.00 0.00 0.00 34.13 30.16 2ksh s GLU 55 CO 0.17 -1.01 0.53 0.45 0.02 0.00 0.00 175.26 175.42 2ksh s SER 56 N 2.09 -0.05 0.00 -1.70 0.15 -1.25 -4.95 113.70 107.98 2ksh s SER 56 Ca 0.18 -0.93 0.01 0.00 0.70 0.00 0.00 55.95 55.91 2ksh s SER 56 Cb -0.16 0.62 0.03 0.00 -1.71 0.00 0.00 66.02 64.80 2ksh s SER 56 CO 0.16 -1.21 0.83 -0.67 1.20 0.00 0.00 173.24 173.56 2ksh n ASP 57 N -0.50 1.71 -4.29 5.45 2.03 -1.26 -4.38 116.55 115.31 2ksh n ASP 57 Ca -0.02 -1.61 -0.34 0.00 0.52 0.00 0.00 54.79 53.34 2ksh n ASP 57 Cb 0.61 -0.02 0.11 0.00 -0.72 0.00 0.00 41.12 41.11 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 -0.17 -2.86 -4.45 1.67 -0.08 -1.26 -4.89 116.55 104.51 2ksh n ASP 58 Ca 0.01 0.18 -0.33 0.00 -1.51 0.00 0.00 54.79 53.14 2ksh n ASP 58 Cb 0.18 -1.03 0.13 0.00 2.34 0.00 0.00 41.12 42.73 2ksh n ASP 58 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ksh n ALA 59 N -3.61 -2.38 -3.27 -1.67 0.00 -1.26 -5.04 120.51 103.28 2ksh n ALA 59 Ca 0.03 -0.61 -0.13 0.00 0.00 0.00 0.00 53.44 52.73 2ksh n ALA 59 Cb 0.57 -1.85 -0.11 0.00 0.00 0.00 0.00 19.45 18.07 2ksh n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ksh s ALA 60 N -2.43 -0.88 0.56 0.00 0.00 -1.26 -4.98 121.76 112.77 2ksh s ALA 60 Ca 0.58 1.02 0.25 0.00 0.00 0.00 0.00 51.96 53.81 2ksh s ALA 60 Cb -0.21 -0.60 1.55 0.00 0.00 0.00 0.00 23.12 23.86 2ksh s ALA 60 CO 0.66 -0.17 2.12 0.93 0.00 0.00 0.00 175.76 179.30 2ksh h GLU 61 N 5.66 0.00 -2.96 0.00 4.39 -1.90 -3.44 114.58 116.33 2ksh h GLU 61 Ca -0.27 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.43 2ksh h GLU 61 Cb 1.18 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.72 2ksh h GLU 61 CO 0.28 0.00 0.23 0.00 -1.16 0.00 0.00 179.01 178.36 2ksh s ALA 62 N -4.81 -1.57 -0.16 3.43 0.00 -1.26 -2.88 121.76 114.52 2ksh s ALA 62 Ca -0.05 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.34 2ksh s ALA 62 Cb 0.16 0.86 0.01 0.00 0.00 0.00 0.00 23.12 24.16 2ksh s ALA 62 CO 0.61 -0.80 -0.20 0.99 0.00 0.00 0.00 175.76 176.36 2ksh s THR 63 N -3.73 2.15 -0.27 0.00 2.01 -1.14 -2.48 115.64 112.17 2ksh s THR 63 Ca 0.03 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 61.08 2ksh s THR 63 Cb -0.02 -1.88 0.04 0.00 0.01 0.00 0.00 72.50 70.65 2ksh s THR 63 CO -0.10 0.54 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.11 2ksh s LEU 64 N 1.02 3.50 -0.29 4.42 2.96 0.48 -0.65 118.68 130.12 2ksh s LEU 64 Ca -0.02 -1.09 -0.11 0.00 -0.22 0.00 0.00 54.13 52.69 2ksh s LEU 64 Cb -0.14 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 2ksh s LEU 64 CO -0.06 -0.19 0.19 -0.89 -1.32 0.00 0.00 176.35 174.08 2ksh s THR 65 N 1.27 5.24 -0.09 3.68 2.01 -0.50 -1.70 115.64 125.56 2ksh s THR 65 Ca -0.03 0.06 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 2ksh s THR 65 Cb -0.18 -3.54 0.04 0.00 0.01 0.00 0.00 72.50 68.83 2ksh s THR 65 CO -0.03 0.20 0.20 -0.04 -0.69 0.00 0.00 174.62 174.26 2ksh s MET 66 N 1.74 0.15 1.09 4.92 -1.94 -0.86 -2.57 119.30 121.84 2ksh s MET 66 Ca 0.07 0.47 -0.14 0.00 -1.71 0.00 0.00 55.69 54.38 2ksh s MET 66 Cb -0.16 -0.15 0.19 0.00 2.01 0.00 0.00 34.83 36.72 2ksh s MET 66 CO 0.10 -0.17 0.73 -1.91 -0.01 0.00 0.00 175.02 173.77 2ksh n GLU 67 N 4.28 -1.67 0.15 2.03 2.13 -1.26 -3.79 120.64 122.51 2ksh n GLU 67 Ca -0.25 -0.45 -0.14 0.00 0.66 0.00 0.00 57.16 56.98 2ksh n GLU 67 Cb 0.52 -2.06 -0.08 0.00 0.27 0.00 0.00 31.44 30.09 2ksh n GLU 67 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2ksh h ASP 68 N -2.28 -0.32 -0.51 4.31 1.82 -1.92 0.55 116.42 118.07 2ksh h ASP 68 Ca -0.54 -0.15 0.02 0.00 -0.39 0.00 0.00 57.03 55.97 2ksh h ASP 68 Cb 1.32 0.08 -0.03 0.00 0.68 0.00 0.00 39.33 41.39 2ksh h ASP 68 CO 0.43 -0.02 0.34 -2.24 -1.61 0.00 0.00 179.24 176.14 2ksh h ASP 69 N -0.62 0.55 0.02 2.28 3.04 -1.92 -1.23 116.42 118.53 2ksh h ASP 69 Ca -0.04 -0.01 -0.00 0.00 -3.24 0.00 0.00 57.03 53.74 2ksh h ASP 69 Cb 0.45 -0.13 0.00 0.00 -1.04 0.00 0.00 39.33 38.60 2ksh h ASP 69 CO 0.06 0.39 -0.01 0.40 -2.04 0.00 0.00 179.24 178.04 2ksh h ILE 70 N 0.64 1.46 -0.86 4.15 5.03 -1.88 -2.84 117.51 123.21 2ksh h ILE 70 Ca 0.20 -1.78 0.16 0.00 -0.12 0.00 0.00 64.86 63.32 2ksh h ILE 70 Cb 0.00 2.60 -0.06 0.00 -3.03 0.00 0.00 36.82 36.33 2ksh h ILE 70 CO -0.05 0.44 0.56 -0.03 -0.68 0.00 0.00 178.15 178.39 2ksh h MET 71 N -0.84 0.53 -0.34 2.37 4.05 0.31 -0.21 114.93 120.80 2ksh h MET 71 Ca -0.00 -0.03 -0.17 0.00 -0.28 0.00 0.00 59.70 59.22 2ksh h MET 71 Cb 0.74 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.42 2ksh h MET 71 CO 0.01 0.35 -0.44 0.35 0.23 0.00 0.00 176.91 177.40 2ksh h PHE 72 N 0.55 1.09 -0.02 1.39 3.57 -1.29 0.66 116.94 122.88 2ksh h PHE 72 Ca 0.44 -0.35 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2ksh h PHE 72 Cb 0.87 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.39 2ksh h PHE 72 CO -0.00 1.18 0.01 0.00 -2.23 0.00 0.00 178.31 177.27 2ksh h ALA 73 N 0.73 0.03 0.06 2.41 0.00 -0.83 -1.64 119.26 120.02 2ksh h ALA 73 Ca 0.04 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 2ksh h ALA 73 Cb 1.04 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.83 2ksh h ALA 73 CO 0.10 -0.42 -1.08 0.82 0.00 0.00 0.00 179.25 178.67 2ksh h ILE 74 N -0.08 1.43 -0.10 0.00 2.04 -1.29 1.53 117.51 121.04 2ksh h ILE 74 Ca 0.01 -2.69 -0.01 0.00 1.00 0.00 0.00 64.86 63.17 2ksh h ILE 74 Cb 0.11 2.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 2ksh h ILE 74 CO -0.00 0.80 0.02 1.23 0.00 0.00 0.00 178.15 180.19 2ksh h GLY 75 N 1.30 0.15 -2.30 5.37 0.00 0.39 -1.04 103.07 106.94 2ksh h GLY 75 Ca -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2ksh h GLY 75 CO 0.18 0.06 0.00 -1.30 0.00 0.00 0.00 176.54 175.49 2ksh n THR 76 N -4.47 0.67 -1.15 4.70 -2.24 -0.62 -4.60 114.28 106.57 2ksh n THR 76 Ca -0.01 -0.79 -0.05 0.00 -2.27 0.00 0.00 64.05 60.92 2ksh n THR 76 Cb 0.12 0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 69.03 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 1.52 0.77 0.10 3.38 0.00 -0.39 -4.95 105.19 105.62 2ksh n GLY 77 Ca 0.21 -0.62 -0.03 0.00 0.00 0.00 0.00 46.02 45.58 2ksh n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ksh h ALA 78 N 0.00 -0.24 -2.80 4.61 0.00 0.19 -3.46 119.26 117.56 2ksh h ALA 78 Ca -0.11 -0.04 -0.65 0.00 0.00 0.00 0.00 54.91 54.11 2ksh h ALA 78 Cb 0.39 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 2ksh h ALA 78 CO 0.15 -0.22 -0.50 -0.51 0.00 0.00 0.00 179.25 178.17 2ksh s LEU 79 N -7.23 4.30 -0.12 0.00 1.43 -0.20 -4.94 118.68 111.93 2ksh s LEU 79 Ca -0.03 0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 53.14 2ksh s LEU 79 Cb 0.00 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 2ksh s LEU 79 CO 0.08 0.32 1.54 -2.16 0.23 0.00 0.00 176.35 176.35 2ksh s PRO 80 N -1.58 4.11 0.57 1.29 0.04 -1.26 -3.87 135.00 134.30 2ksh s PRO 80 Ca 0.22 1.93 0.27 0.00 0.04 0.00 0.00 61.00 63.47 2ksh s PRO 80 Cb -0.12 -3.94 1.53 0.00 0.04 0.00 0.00 34.50 32.01 2ksh s PRO 80 CO 0.13 -0.91 2.02 0.00 0.04 0.00 0.00 177.00 178.28 2ksh h ALA 81 N 9.44 2.09 -0.02 8.56 0.00 -1.96 -1.39 119.26 135.97 2ksh h ALA 81 Ca -0.35 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2ksh h ALA 81 Cb 1.15 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2ksh h ALA 81 CO 0.97 -0.50 0.00 1.57 0.00 0.00 0.00 179.25 181.29 2ksh h LYS 82 N 0.00 0.04 0.20 0.00 2.10 -1.98 -2.10 116.57 114.83 2ksh h LYS 82 Ca 0.16 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.79 2ksh h LYS 82 Cb 0.80 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 2ksh h LYS 82 CO -0.00 0.32 -0.10 0.93 -2.00 0.00 0.00 179.45 178.60 2ksh h GLU 83 N -0.25 -0.26 -0.82 0.07 4.39 -1.67 -1.27 114.58 114.76 2ksh h GLU 83 Ca 0.01 0.02 0.17 0.00 0.34 0.00 0.00 59.36 59.89 2ksh h GLU 83 Cb 0.30 0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 28.91 2ksh h GLU 83 CO 0.00 -0.05 0.35 0.00 -1.16 0.00 0.00 179.01 178.15 2ksh h ALA 84 N 0.32 1.22 -0.20 3.43 0.00 -1.46 0.42 119.26 122.98 2ksh h ALA 84 Ca -0.03 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2ksh h ALA 84 Cb 0.34 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2ksh h ALA 84 CO 0.05 -0.24 -0.37 1.98 0.00 0.00 0.00 179.25 180.67 2ksh h MET 85 N 0.45 0.44 0.00 0.00 4.05 -1.22 -1.79 114.93 116.85 2ksh h MET 85 Ca 0.47 -0.20 0.00 0.00 -0.28 0.00 0.00 59.70 59.69 2ksh h MET 85 Cb 0.78 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.58 2ksh h MET 85 CO -0.45 0.74 0.00 0.00 0.23 0.00 0.00 176.91 177.44 2ksh h ALA 86 N 1.24 1.00 -0.34 0.39 0.00 0.50 -2.98 119.26 119.06 2ksh h ALA 86 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ksh h ALA 86 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2ksh h ALA 86 CO 0.07 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.36 2ksh n GLN 87 N -3.01 1.92 -1.27 0.00 1.13 0.12 -4.87 117.38 111.40 2ksh n GLN 87 Ca 0.03 -1.27 -0.09 0.00 -1.94 0.00 0.00 57.00 53.73 2ksh n GLN 87 Cb 0.45 -1.34 -0.04 0.00 0.11 0.00 0.00 30.24 29.42 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 0.48 -5.18 -0.16 1.08 -0.08 -1.13 -4.82 116.55 106.75 2ksh n ASP 88 Ca 0.12 0.23 0.13 0.00 -1.51 0.00 0.00 54.79 53.75 2ksh n ASP 88 Cb 0.34 -3.49 0.32 0.00 2.34 0.00 0.00 41.12 40.63 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 -1.31 0.53 -3.74 -0.67 4.76 -0.71 -4.86 118.16 112.17 2ksh n LYS 89 Ca -0.09 -0.32 -0.12 0.00 -2.87 0.00 0.00 58.31 54.91 2ksh n LYS 89 Cb 0.48 -1.49 -0.12 0.00 -1.84 0.00 0.00 35.03 32.06 2ksh n LYS 89 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2ksh s MET 90 N -2.68 0.32 0.13 1.97 1.75 -1.15 -4.43 119.30 115.21 2ksh s MET 90 Ca 0.19 0.52 0.08 0.00 -1.25 0.00 0.00 55.69 55.24 2ksh s MET 90 Cb 0.19 0.06 -0.04 0.00 2.84 0.00 0.00 34.83 37.88 2ksh s MET 90 CO 0.59 -0.10 -0.19 -1.21 -0.65 0.00 0.00 175.02 173.46 2ksh s GLU 91 N 0.69 1.19 -0.01 4.11 8.01 -1.06 -4.52 118.70 127.11 2ksh s GLU 91 Ca -0.04 -1.28 0.01 0.00 0.01 0.00 0.00 54.97 53.66 2ksh s GLU 91 Cb -0.06 -1.35 0.00 0.00 -4.31 0.00 0.00 34.13 28.42 2ksh s GLU 91 CO -0.04 0.29 -0.02 0.08 0.01 0.00 0.00 175.26 175.57 2ksh s VAL 92 N -1.63 0.21 0.21 2.63 1.01 -1.26 -1.40 120.40 120.17 2ksh s VAL 92 Ca 0.11 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.02 2ksh s VAL 92 Cb -0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 36.09 2ksh s VAL 92 CO 0.05 0.08 0.04 -0.67 0.00 0.00 0.00 175.10 174.60 2ksh n ASP 93 N 3.21 1.80 0.00 3.32 2.03 0.18 -4.96 116.55 122.12 2ksh n ASP 93 Ca -0.15 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.15 2ksh n ASP 93 Cb 0.57 0.33 0.00 0.00 -0.72 0.00 0.00 41.12 41.31 2ksh n ASP 93 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ksh n GLY 94 N 1.52 1.23 3.45 0.27 0.00 -1.26 -2.87 105.19 107.53 2ksh n GLY 94 Ca -0.06 -0.67 -0.44 0.00 0.00 0.00 0.00 46.02 44.85 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 3.16 0.53 1.61 -1.52 -1.14 -4.89 119.66 117.40 2ksh s GLN 95 Ca 0.00 -0.80 0.27 0.00 -1.95 0.00 0.00 55.36 52.88 2ksh s GLN 95 Cb 0.00 -4.14 1.48 0.00 -0.22 0.00 0.00 33.01 30.12 2ksh s GLN 95 CO 0.00 -1.46 2.10 0.28 -0.25 0.00 0.00 175.29 175.96 2ksh h VAL 96 N 5.93 0.60 -0.08 1.09 2.07 -1.94 -0.87 116.25 123.06 2ksh h VAL 96 Ca -0.28 -0.45 -0.21 0.00 0.82 0.00 0.00 66.70 66.58 2ksh h VAL 96 Cb 1.08 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 2ksh h VAL 96 CO 1.06 0.10 -0.81 -0.08 0.02 0.00 0.00 177.57 177.87 2ksh h GLU 97 N 0.00 0.52 0.03 1.57 4.81 -1.98 -2.87 114.58 116.66 2ksh h GLU 97 Ca -0.00 -0.46 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2ksh h GLU 97 Cb 0.28 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2ksh h GLU 97 CO 0.01 1.09 -0.01 -0.07 -0.73 0.00 0.00 179.01 179.30 2ksh h LEU 98 N 0.34 -0.04 -1.99 1.64 3.38 -1.83 -3.17 115.31 113.64 2ksh h LEU 98 Ca -0.05 -0.67 0.19 0.00 0.09 0.00 0.00 57.88 57.44 2ksh h LEU 98 Cb 1.41 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 2ksh h LEU 98 CO 0.15 0.74 0.50 0.16 0.09 0.00 0.00 178.44 180.08 2ksh h ILE 99 N -0.91 0.59 -0.16 1.22 -0.00 -1.30 0.19 117.51 117.15 2ksh h ILE 99 Ca -0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 64.86 64.69 2ksh h ILE 99 Cb 0.70 0.64 -0.00 0.00 -0.00 0.00 0.00 36.82 38.16 2ksh h ILE 99 CO 0.01 0.00 -0.60 -0.26 -0.00 0.00 0.00 178.15 177.29 2ksh h PHE 100 N 0.00 0.68 0.00 0.16 0.04 -1.56 -2.78 116.94 113.48 2ksh h PHE 100 Ca 0.31 -0.26 0.00 0.00 2.80 0.00 0.00 57.97 60.83 2ksh h PHE 100 Cb 1.32 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.35 2ksh h PHE 100 CO 0.00 1.00 0.00 1.28 -0.60 0.00 0.00 178.31 179.99 2ksh n LEU 101 N -3.93 0.05 0.07 1.54 7.99 0.65 -2.53 117.00 120.83 2ksh n LEU 101 Ca -0.04 0.51 -0.18 0.00 -0.01 0.00 0.00 56.01 56.29 2ksh n LEU 101 Cb 0.64 -0.50 -0.14 0.00 -0.11 0.00 0.00 43.42 43.30 2ksh n LEU 101 CO 0.48 -0.26 -0.38 -0.07 -1.51 0.00 0.00 177.39 175.64 2ksh h LEU 102 N 0.00 0.45 -0.36 2.23 3.38 -1.28 -3.31 115.31 116.42 2ksh h LEU 102 Ca 0.00 -0.63 0.06 0.00 0.09 0.00 0.00 57.88 57.40 2ksh h LEU 102 Cb 0.27 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 2ksh h LEU 102 CO 0.00 1.53 -0.49 -0.33 0.09 0.00 0.00 178.44 179.23 2ksh h GLU 103 N 0.08 -0.38 0.00 1.13 4.39 -1.51 0.44 114.58 118.73 2ksh h GLU 103 Ca -0.27 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.46 2ksh h GLU 103 Cb 2.04 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.78 2ksh h GLU 103 CO 0.17 -0.26 0.00 -0.35 -1.16 0.00 0.00 179.01 177.41 2ksh n PRO 104 N -5.41 0.25 0.00 2.33 -0.04 -1.26 -1.83 135.00 129.05 2ksh n PRO 104 Ca -0.03 0.12 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 2ksh n PRO 104 Cb 0.35 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.24 0.00 0.09 0.54 3.01 0.14 -4.33 117.46 115.67 2ksh n PHE 105 Ca 0.08 0.00 0.20 0.00 1.01 0.00 0.00 57.45 58.73 2ksh n PHE 105 Cb 0.11 -0.00 0.75 0.00 -0.01 0.00 0.00 39.48 40.33 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 2.53 0.49 -0.05 4.37 2.04 -0.47 0.21 117.51 126.63 2ksh h ILE 106 Ca 0.00 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.71 2ksh h ILE 106 Cb 0.77 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2ksh h ILE 106 CO 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 178.15 177.51 2ksh h ALA 107 N 1.62 0.84 0.07 1.87 0.00 -1.81 -3.12 119.26 118.73 2ksh h ALA 107 Ca 0.19 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2ksh h ALA 107 Cb 0.95 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2ksh h ALA 107 CO -0.00 0.76 -0.04 0.77 0.00 0.00 0.00 179.25 180.73 2ksh h SER 108 N 0.14 -0.11 -3.20 0.00 0.02 -0.87 -3.40 113.55 106.13 2ksh h SER 108 Ca -0.01 0.01 -0.59 0.00 -0.84 0.00 0.00 61.79 60.35 2ksh h SER 108 Cb 1.15 0.03 -0.40 0.00 0.14 0.00 0.00 62.40 63.32 2ksh h SER 108 CO 0.10 -0.07 -0.77 -0.76 -1.14 0.00 0.00 176.83 174.19 2ksh s LEU 109 N -4.73 2.14 0.00 5.07 1.02 -1.22 -5.08 118.68 115.87 2ksh s LEU 109 Ca -0.02 -2.23 0.00 0.00 0.02 0.00 0.00 54.13 51.90 2ksh s LEU 109 Cb 0.00 -0.83 0.00 0.00 0.02 0.00 0.00 46.19 45.38 2ksh s LEU 109 CO 0.05 -0.32 0.00 1.17 0.02 0.00 0.00 176.35 177.27