#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 1.31 0.11 3.17 0.01 -1.26 -5.15 113.70 111.89 2ksh s SER 2 Ca 0.00 -0.33 0.10 0.00 1.31 0.00 0.00 55.95 57.03 2ksh s SER 2 Cb 0.00 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.09 2ksh s SER 2 CO 0.00 0.05 -0.26 -0.76 0.41 0.00 0.00 173.24 172.68 2ksh s LEU 3 N -0.73 2.29 0.28 2.44 1.43 -1.26 -5.03 118.68 118.09 2ksh s LEU 3 Ca 0.01 -0.71 -0.02 0.00 -1.03 0.00 0.00 54.13 52.39 2ksh s LEU 3 Cb -0.06 -1.16 0.38 0.00 0.03 0.00 0.00 46.19 45.38 2ksh s LEU 3 CO 0.00 0.17 1.82 0.50 0.23 0.00 0.00 176.35 179.07 2ksh h LYS 4 N 4.08 0.84 0.00 1.70 1.63 -2.02 -1.76 116.57 121.03 2ksh h LYS 4 Ca -0.49 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.13 2ksh h LYS 4 Cb 1.17 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.67 2ksh h LYS 4 CO 0.40 0.76 0.00 0.77 -3.45 0.00 0.00 179.45 177.93 2ksh h SER 5 N 0.80 0.00 -0.94 4.20 0.02 -1.96 -2.49 113.55 113.18 2ksh h SER 5 Ca 0.18 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.25 2ksh h SER 5 Cb 0.31 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.77 2ksh h SER 5 CO 0.00 0.00 0.57 -0.78 -1.14 0.00 0.00 176.83 175.48 2ksh h ASP 6 N 0.00 0.82 -0.58 3.07 3.58 -1.71 -1.23 116.42 120.36 2ksh h ASP 6 Ca 0.00 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 2ksh h ASP 6 Cb 0.08 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 2ksh h ASP 6 CO 0.00 0.42 0.28 -0.33 -2.88 0.00 0.00 179.24 176.73 2ksh h GLU 7 N 0.89 0.84 0.14 0.28 4.39 -1.63 -2.27 114.58 117.22 2ksh h GLU 7 Ca 0.47 -0.13 0.02 0.00 0.34 0.00 0.00 59.36 60.06 2ksh h GLU 7 Cb 0.50 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 2ksh h GLU 7 CO -0.28 0.69 -0.28 0.28 -1.16 0.00 0.00 179.01 178.26 2ksh h VAL 8 N 0.80 0.40 -0.40 3.13 2.07 -1.39 0.22 116.25 121.08 2ksh h VAL 8 Ca 0.20 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.79 2ksh h VAL 8 Cb 0.12 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2ksh h VAL 8 CO -0.02 0.00 0.27 -0.26 0.02 0.00 0.00 177.57 177.57 2ksh h PHE 9 N -0.51 0.25 -0.17 1.57 0.04 -1.37 0.66 116.94 117.42 2ksh h PHE 9 Ca 0.02 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 2ksh h PHE 9 Cb 0.52 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 2ksh h PHE 9 CO -0.24 0.13 -0.17 0.00 -0.60 0.00 0.00 178.31 177.43 2ksh h ALA 10 N 1.79 0.25 -0.28 2.45 0.00 -0.68 -1.27 119.26 121.52 2ksh h ALA 10 Ca 0.18 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2ksh h ALA 10 Cb 0.39 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2ksh h ALA 10 CO -0.03 0.15 -0.09 0.87 0.00 0.00 0.00 179.25 180.14 2ksh h LYS 11 N 0.06 0.55 -0.40 0.00 1.57 -0.22 -2.75 116.57 115.38 2ksh h LYS 11 Ca 0.03 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 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 0.04 0.77 0.21 0.82 -0.57 0.00 0.00 179.45 180.73 2ksh h ILE 12 N 0.30 1.16 -0.51 1.86 2.04 -0.94 -2.56 117.51 118.85 2ksh h ILE 12 Ca 0.07 -0.41 0.07 0.00 1.00 0.00 0.00 64.86 65.59 2ksh h ILE 12 Cb 0.59 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 2ksh h ILE 12 CO 0.03 0.16 0.17 0.00 0.00 0.00 0.00 178.15 178.52 2ksh h ALA 13 N 1.07 0.62 -0.15 1.87 0.00 -1.21 0.31 119.26 121.76 2ksh h ALA 13 Ca 0.14 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2ksh h ALA 13 Cb 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2ksh h ALA 13 CO -0.02 -0.23 0.07 -0.22 0.00 0.00 0.00 179.25 178.85 2ksh h LYS 14 N 0.34 0.20 0.02 0.00 3.64 -1.26 -1.71 116.57 117.80 2ksh h LYS 14 Ca 0.25 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.40 2ksh h LYS 14 Cb 0.28 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2ksh h LYS 14 CO -0.26 0.16 -0.94 0.00 -2.27 0.00 0.00 179.45 176.14 2ksh h ARG 15 N 0.21 0.24 0.00 1.90 2.47 -0.69 -3.07 114.38 115.44 2ksh h ARG 15 Ca 0.05 -0.28 0.00 0.00 -1.26 0.00 0.00 59.98 58.49 2ksh h ARG 15 Cb 0.02 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 2ksh h ARG 15 CO -0.01 1.02 0.00 1.28 0.56 0.00 0.00 179.97 182.82 2ksh n LEU 16 N -3.65 0.12 0.09 3.04 4.77 -0.07 -2.35 117.00 118.95 2ksh n LEU 16 Ca -0.05 0.52 0.13 0.00 -0.03 0.00 0.00 56.01 56.59 2ksh n LEU 16 Cb 0.85 -0.50 0.43 0.00 -2.33 0.00 0.00 43.42 41.86 2ksh n LEU 16 CO 0.49 -0.22 0.88 -0.62 -1.33 0.00 0.00 177.39 176.59 2ksh n GLU 17 N -1.62 0.23 0.00 3.23 1.02 -0.96 -3.02 120.64 119.52 2ksh n GLU 17 Ca 0.04 0.18 0.12 0.00 -0.02 0.00 0.00 57.16 57.48 2ksh n GLU 17 Cb 0.23 -1.76 0.12 0.00 -0.02 0.00 0.00 31.44 30.02 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 -2.15 2.15 -4.71 1.62 7.64 -0.99 -4.97 113.62 112.21 2ksh n SER 18 Ca 0.06 -1.58 -0.43 0.00 1.01 0.00 0.00 58.87 57.93 2ksh n SER 18 Cb 0.42 0.25 -0.01 0.00 -1.01 0.00 0.00 64.21 63.85 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 0.33 1.56 -4.33 0.44 2.08 -1.17 -5.01 119.36 113.27 2ksh n ILE 19 Ca 0.12 -0.39 -0.24 0.00 0.56 0.00 0.00 62.75 62.80 2ksh n ILE 19 Cb 0.48 -1.67 -0.12 0.00 -0.75 0.00 0.00 39.64 37.58 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 0.01 2.80 0.54 4.38 2.15 -1.26 -5.03 116.67 120.26 2ksh s ASP 20 Ca 0.60 -0.78 0.33 0.00 0.43 0.00 0.00 52.55 53.13 2ksh s ASP 20 Cb -0.56 -0.17 1.37 0.00 -0.30 0.00 0.00 42.92 43.25 2ksh s ASP 20 CO 0.57 0.05 1.99 1.55 -0.17 0.00 0.00 175.17 179.16 2ksh h PRO 21 N 3.64 0.00 0.29 4.34 0.13 -2.04 -3.21 132.00 135.15 2ksh h PRO 21 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2ksh h PRO 21 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2ksh h PRO 21 CO 0.45 0.03 -0.19 0.00 -0.23 0.00 0.00 178.00 178.06 2ksh h ALA 22 N 1.97 -0.45 -2.76 -0.56 0.00 -2.01 -3.39 119.26 112.06 2ksh h ALA 22 Ca -0.00 -0.08 -0.68 0.00 0.00 0.00 0.00 54.91 54.14 2ksh h ALA 22 Cb 0.51 0.23 -0.20 0.00 0.00 0.00 0.00 17.79 18.33 2ksh h ALA 22 CO 0.00 -0.77 -0.50 1.21 0.00 0.00 0.00 179.25 179.20 2ksh s ASN 23 N -4.79 5.88 0.20 0.00 3.84 -1.21 -5.05 114.94 113.81 2ksh s ASN 23 Ca -0.15 -0.51 -0.01 0.00 0.21 0.00 0.00 52.86 52.39 2ksh s ASN 23 Cb 0.06 -2.09 0.00 0.00 -0.55 0.00 0.00 41.25 38.67 2ksh s ASN 23 CO 0.64 -0.24 0.28 0.54 -2.79 0.00 0.00 177.10 175.53 2ksh n ARG 24 N 5.06 0.40 0.00 0.43 5.12 -1.26 -4.66 116.66 121.76 2ksh n ARG 24 Ca -0.13 -1.60 0.00 0.00 -1.93 0.00 0.00 57.85 54.19 2ksh n ARG 24 Cb 0.49 1.54 0.00 0.00 -1.16 0.00 0.00 32.46 33.33 2ksh n ARG 24 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2ksh n GLN 25 N -0.33 0.00 -3.64 5.56 7.27 -1.26 -5.14 117.38 119.84 2ksh n GLN 25 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.02 2ksh n GLN 25 Cb 0.34 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.92 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 -0.27 1.69 0.11 -1.26 -5.16 120.40 113.51 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 0.12 0.00 -1.53 0.00 0.00 36.38 33.97 2ksh s VAL 26 CO 0.00 0.00 0.59 -1.61 -3.33 0.00 0.00 175.10 170.75 2ksh s GLU 27 N 0.75 0.51 0.15 1.54 0.41 -1.26 -5.12 118.70 115.68 2ksh s GLU 27 Ca -0.02 1.34 0.01 0.00 -0.41 0.00 0.00 54.97 55.89 2ksh s GLU 27 Cb -0.04 0.73 -0.04 0.00 -1.78 0.00 0.00 34.13 32.99 2ksh s GLU 27 CO -0.11 -0.21 0.01 -1.01 -0.49 0.00 0.00 175.26 173.45 2ksh s HIS 28 N 2.82 1.04 0.22 1.61 3.76 -1.26 -5.05 115.29 118.43 2ksh s HIS 28 Ca -0.05 -1.08 -0.31 0.00 -0.15 0.00 0.00 55.06 53.47 2ksh s HIS 28 Cb -0.12 -0.60 -0.11 0.00 1.11 0.00 0.00 32.58 32.86 2ksh s HIS 28 CO -0.17 -0.31 1.58 0.08 -0.85 0.00 0.00 174.74 175.07 2ksh s VAL 29 N -3.79 2.38 0.26 -0.90 1.01 -1.26 -4.85 120.40 113.25 2ksh s VAL 29 Ca 0.22 0.29 0.12 0.00 0.00 0.00 0.00 61.98 62.61 2ksh s VAL 29 Cb 0.07 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 2ksh s VAL 29 CO 0.02 0.03 -0.20 -0.31 0.00 0.00 0.00 175.10 174.64 2ksh s TYR 30 N 0.64 2.32 -0.09 5.22 2.02 -1.24 -2.14 117.35 124.08 2ksh s TYR 30 Ca 0.67 -0.33 0.03 0.00 -0.37 0.00 0.00 57.07 57.07 2ksh s TYR 30 Cb -0.45 -1.04 -0.01 0.00 -0.40 0.00 0.00 41.96 40.05 2ksh s TYR 30 CO 0.38 0.66 -0.19 0.15 -1.57 0.00 0.00 175.55 174.97 2ksh s LYS 31 N -3.30 2.89 -0.23 -0.62 1.02 -0.94 -1.24 119.74 117.32 2ksh s LYS 31 Ca 0.28 -0.79 0.01 0.00 0.02 0.00 0.00 55.97 55.49 2ksh s LYS 31 Cb -0.06 -2.38 0.06 0.00 -0.52 0.00 0.00 37.83 34.93 2ksh s LYS 31 CO 0.14 0.34 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.78 2ksh s PHE 32 N -0.02 2.54 -0.22 3.18 0.08 0.16 0.12 117.98 123.82 2ksh s PHE 32 Ca -0.06 -1.82 -0.06 0.00 0.12 0.00 0.00 56.93 55.12 2ksh s PHE 32 Cb -0.15 -1.65 -0.02 0.00 -0.57 0.00 0.00 43.02 40.63 2ksh s PHE 32 CO 0.05 -0.79 0.02 1.03 -0.10 0.00 0.00 175.22 175.43 2ksh s ARG 33 N 1.35 3.61 -0.25 0.44 0.52 0.11 0.06 118.95 124.79 2ksh s ARG 33 Ca -0.06 -0.52 -0.06 0.00 -0.52 0.00 0.00 55.73 54.58 2ksh s ARG 33 Cb -0.19 -3.15 -0.02 0.00 0.52 0.00 0.00 34.95 32.12 2ksh s ARG 33 CO -0.06 -0.07 0.04 0.42 0.02 0.00 0.00 175.30 175.65 2ksh s ILE 34 N 1.23 3.96 0.00 1.52 1.01 -0.76 -0.93 121.20 127.23 2ksh s ILE 34 Ca 0.04 -0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 2ksh s ILE 34 Cb -0.15 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 2ksh s ILE 34 CO 0.02 0.32 0.24 0.42 0.00 0.00 0.00 174.94 175.94 2ksh s THR 35 N 1.55 5.35 -0.43 2.92 -4.23 -0.99 -2.43 115.64 117.38 2ksh s THR 35 Ca 0.06 0.06 -0.16 0.00 -1.18 0.00 0.00 61.69 60.47 2ksh s THR 35 Cb -0.15 -3.55 0.03 0.00 1.34 0.00 0.00 72.50 70.17 2ksh s THR 35 CO 0.01 0.35 0.35 -1.58 -0.54 0.00 0.00 174.62 173.21 2ksh s GLN 36 N -1.81 2.99 0.00 3.99 0.74 0.21 -2.08 119.66 123.69 2ksh s GLN 36 Ca 0.27 -1.06 0.00 0.00 0.05 0.00 0.00 55.36 54.62 2ksh s GLN 36 Cb -0.13 -4.02 0.00 0.00 1.10 0.00 0.00 33.01 29.96 2ksh s GLN 36 CO 0.17 -0.84 0.00 0.41 -0.55 0.00 0.00 175.29 174.47 2ksh n GLY 37 N 5.16 1.43 0.00 2.59 0.00 -1.26 -3.07 105.19 110.04 2ksh n GLY 37 Ca -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 2.98 -0.02 0.00 -1.26 -5.10 105.19 101.79 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 0.40 0.37 1.61 2.20 -1.17 -5.06 119.74 118.08 2ksh s LYS 39 Ca 0.00 -0.33 -0.27 0.00 -0.36 0.00 0.00 55.97 55.01 2ksh s LYS 39 Cb 0.00 -0.31 -0.12 0.00 -1.51 0.00 0.00 37.83 35.90 2ksh s LYS 39 CO 0.00 0.08 1.20 1.55 -0.36 0.00 0.00 175.35 177.82 2ksh n VAL 40 N 2.51 2.22 0.00 4.02 3.14 -1.26 0.65 118.33 129.61 2ksh n VAL 40 Ca -0.16 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.72 2ksh n VAL 40 Cb 0.57 -1.42 0.00 0.00 -1.06 0.00 0.00 33.84 31.93 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 0.04 0.00 -3.65 1.55 0.24 -1.02 -4.70 118.33 110.78 2ksh n VAL 41 Ca 0.07 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.21 2ksh n VAL 41 Cb 0.37 -0.32 -0.07 0.00 -1.47 0.00 0.00 33.84 32.34 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 -1.32 0.84 -0.08 7.34 2.20 -1.14 -5.06 119.74 122.52 2ksh s LYS 42 Ca 0.00 0.02 0.01 0.00 -0.36 0.00 0.00 55.97 55.64 2ksh s LYS 42 Cb 0.00 0.39 0.02 0.00 -1.51 0.00 0.00 37.83 36.72 2ksh s LYS 42 CO 0.00 -0.25 -0.11 0.54 -0.36 0.00 0.00 175.35 175.17 2ksh s ASN 43 N -1.26 1.93 0.04 1.43 2.20 -1.26 -1.84 114.94 116.18 2ksh s ASN 43 Ca -0.12 -0.31 0.05 0.00 -0.94 0.00 0.00 52.86 51.53 2ksh s ASN 43 Cb -0.03 -0.85 -0.04 0.00 -2.00 0.00 0.00 41.25 38.34 2ksh s ASN 43 CO 0.07 -0.01 -0.09 0.26 -2.94 0.00 0.00 177.10 174.39 2ksh s TRP 44 N 0.97 2.81 -0.02 1.54 0.52 0.11 -3.71 118.94 121.16 2ksh s TRP 44 Ca -0.09 -0.10 0.08 0.00 0.02 0.00 0.00 56.10 56.01 2ksh s TRP 44 Cb -0.15 -1.54 -0.02 0.00 -1.15 0.00 0.00 33.47 30.61 2ksh s TRP 44 CO -0.00 0.37 -0.25 0.08 0.02 0.00 0.00 176.95 177.17 2ksh s VAL 45 N -1.05 2.17 -0.32 4.03 1.01 -1.07 -0.66 120.40 124.49 2ksh s VAL 45 Ca 0.18 -1.08 -0.15 0.00 0.00 0.00 0.00 61.98 60.93 2ksh s VAL 45 Cb -0.11 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 2ksh s VAL 45 CO 0.09 0.57 0.36 -0.32 0.00 0.00 0.00 175.10 175.80 2ksh s MET 46 N -0.65 3.69 -0.28 2.72 1.75 -0.37 -2.97 119.30 123.19 2ksh s MET 46 Ca 0.10 -0.30 -0.28 0.00 -1.25 0.00 0.00 55.69 53.96 2ksh s MET 46 Cb -0.10 -3.76 0.01 0.00 2.84 0.00 0.00 34.83 33.82 2ksh s MET 46 CO -0.01 -0.45 1.00 0.34 -0.65 0.00 0.00 175.02 175.25 2ksh s ASP 47 N 1.72 6.95 0.18 1.11 2.15 -0.61 -3.67 116.67 124.50 2ksh s ASP 47 Ca 0.12 1.11 0.23 0.00 0.43 0.00 0.00 52.55 54.44 2ksh s ASP 47 Cb -0.16 -2.51 0.02 0.00 -0.30 0.00 0.00 42.92 39.96 2ksh s ASP 47 CO 0.11 -0.74 1.05 -0.11 -0.17 0.00 0.00 175.17 175.32 2ksh n LEU 48 N 6.51 0.81 0.08 -1.34 -0.00 -1.26 -1.03 117.00 120.77 2ksh n LEU 48 Ca 0.10 0.30 -0.22 0.00 -0.00 0.00 0.00 56.01 56.19 2ksh n LEU 48 Cb 0.47 -0.07 -0.13 0.00 -0.00 0.00 0.00 43.42 43.69 2ksh n LEU 48 CO 0.54 -0.16 -0.03 0.50 -0.00 0.00 0.00 177.39 178.24 2ksh h LYS 49 N 0.00 0.61 0.00 1.96 3.64 -1.96 -3.34 116.57 117.48 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 0.97 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2ksh h LYS 49 CO 0.00 1.35 -1.21 0.09 -2.27 0.00 0.00 179.45 177.42 2ksh n ASN 50 N -3.85 0.83 -2.60 4.20 3.02 -1.26 -5.00 115.26 110.61 2ksh n ASN 50 Ca -0.13 -0.58 -0.17 0.00 -0.03 0.00 0.00 54.58 53.67 2ksh n ASN 50 Cb 0.95 1.31 0.05 0.00 -0.61 0.00 0.00 39.78 41.48 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 -1.68 -1.94 -4.08 2.41 0.31 -0.20 -5.02 118.33 108.12 2ksh n VAL 51 Ca 0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.20 2ksh n VAL 51 Cb 0.35 -3.16 -0.12 0.00 -0.91 0.00 0.00 33.84 30.00 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 -5.76 0.56 -0.17 5.55 2.20 -1.02 -4.78 119.74 116.32 2ksh s LYS 52 Ca 0.36 -0.74 -0.11 0.00 -0.36 0.00 0.00 55.97 55.12 2ksh s LYS 52 Cb -0.16 -0.36 -0.05 0.00 -1.51 0.00 0.00 37.83 35.75 2ksh s LYS 52 CO 0.44 0.07 0.19 -0.51 -0.36 0.00 0.00 175.35 175.18 2ksh s LEU 53 N -1.50 4.25 0.11 5.43 1.02 -1.26 -1.57 118.68 125.16 2ksh s LEU 53 Ca -0.08 0.37 -0.05 0.00 0.02 0.00 0.00 54.13 54.38 2ksh s LEU 53 Cb -0.09 -2.19 -0.02 0.00 0.02 0.00 0.00 46.19 43.91 2ksh s LEU 53 CO 0.01 0.19 0.13 -0.69 0.02 0.00 0.00 176.35 176.01 2ksh s VAL 54 N 0.15 0.13 -0.72 -1.59 1.01 -1.16 -5.01 120.40 113.21 2ksh s VAL 54 Ca 0.12 -1.55 -0.26 0.00 0.00 0.00 0.00 61.98 60.28 2ksh s VAL 54 Cb -0.12 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.58 2ksh s VAL 54 CO 0.01 -0.59 1.55 -1.83 0.00 0.00 0.00 175.10 174.25 2ksh s GLU 55 N -3.95 2.96 0.21 2.72 -1.05 -1.26 -2.61 118.70 115.73 2ksh s GLU 55 Ca 0.13 0.02 -0.07 0.00 -0.15 0.00 0.00 54.97 54.90 2ksh s GLU 55 Cb 0.06 -4.39 -0.02 0.00 -0.44 0.00 0.00 34.13 29.33 2ksh s GLU 55 CO -0.05 -2.45 0.29 0.45 0.95 0.00 0.00 175.26 174.46 2ksh s SER 56 N 5.76 0.04 -0.00 0.83 0.15 -1.24 -4.94 113.70 114.29 2ksh s SER 56 Ca 0.50 -1.10 0.01 0.00 0.70 0.00 0.00 55.95 56.06 2ksh s SER 56 Cb -0.09 0.47 0.01 0.00 -1.71 0.00 0.00 66.02 64.70 2ksh s SER 56 CO 0.15 -0.96 0.96 -0.67 1.20 0.00 0.00 173.24 173.91 2ksh n ASP 57 N -0.30 1.83 -4.42 5.45 -0.08 -1.26 -3.40 116.55 114.37 2ksh n ASP 57 Ca -0.02 -1.95 -0.34 0.00 -1.51 0.00 0.00 54.79 50.97 2ksh n ASP 57 Cb 0.64 -0.02 0.10 0.00 2.34 0.00 0.00 41.12 44.18 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 -0.49 -1.86 -4.19 1.67 2.03 -1.26 -4.97 116.55 107.48 2ksh n ASP 58 Ca 0.01 0.43 -0.29 0.00 0.52 0.00 0.00 54.79 55.45 2ksh n ASP 58 Cb 0.29 -1.20 0.21 0.00 -0.72 0.00 0.00 41.12 39.71 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 -2.19 0.71 0.08 -1.67 0.00 -1.26 -4.95 121.76 112.48 2ksh s ALA 59 Ca 0.60 -0.70 -0.26 0.00 0.00 0.00 0.00 51.96 51.60 2ksh s ALA 59 Cb -0.26 -2.98 0.08 0.00 0.00 0.00 0.00 23.12 19.96 2ksh s ALA 59 CO 0.64 -3.30 0.73 0.00 0.00 0.00 0.00 175.76 173.83 2ksh s ALA 60 N -2.98 -1.70 0.61 0.00 0.00 -1.26 -4.90 121.76 111.53 2ksh s ALA 60 Ca 0.69 0.74 0.31 0.00 0.00 0.00 0.00 51.96 53.70 2ksh s ALA 60 Cb -0.14 0.65 1.77 0.00 0.00 0.00 0.00 23.12 25.41 2ksh s ALA 60 CO 0.57 -0.72 2.13 0.93 0.00 0.00 0.00 175.76 178.67 2ksh h GLU 61 N 2.03 0.00 -3.25 0.00 4.39 -1.80 -3.43 114.58 112.53 2ksh h GLU 61 Ca -0.29 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.36 2ksh h GLU 61 Cb 1.28 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.79 2ksh h GLU 61 CO 0.35 0.00 -0.06 0.00 -1.16 0.00 0.00 179.01 178.14 2ksh s ALA 62 N -4.52 -1.01 -0.12 3.43 0.00 -1.25 -3.58 121.76 114.71 2ksh s ALA 62 Ca -0.05 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.04 2ksh s ALA 62 Cb 0.14 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.88 2ksh s ALA 62 CO 0.50 -0.60 -0.20 0.99 0.00 0.00 0.00 175.76 176.46 2ksh s THR 63 N -3.42 1.82 -0.31 0.00 2.01 -1.09 -2.23 115.64 112.42 2ksh s THR 63 Ca 0.00 -0.85 -0.01 0.00 0.31 0.00 0.00 61.69 61.15 2ksh s THR 63 Cb 0.01 -1.61 0.06 0.00 0.01 0.00 0.00 72.50 70.97 2ksh s THR 63 CO -0.09 0.50 0.01 -0.22 -0.69 0.00 0.00 174.62 174.13 2ksh s LEU 64 N 0.76 4.03 -0.15 4.42 0.20 0.12 0.04 118.68 128.10 2ksh s LEU 64 Ca -0.10 -1.41 -0.02 0.00 0.69 0.00 0.00 54.13 53.30 2ksh s LEU 64 Cb -0.16 -1.70 -0.02 0.00 -0.43 0.00 0.00 46.19 43.88 2ksh s LEU 64 CO 0.01 -0.29 -0.10 -0.89 -0.29 0.00 0.00 176.35 174.80 2ksh s THR 65 N 1.21 3.33 0.15 3.68 2.01 -0.87 0.09 115.64 125.23 2ksh s THR 65 Ca -0.03 -0.56 -0.24 0.00 0.31 0.00 0.00 61.69 61.17 2ksh s THR 65 Cb -0.20 -2.43 0.07 0.00 0.01 0.00 0.00 72.50 69.95 2ksh s THR 65 CO -0.02 0.51 0.65 0.00 -0.69 0.00 0.00 174.62 175.06 2ksh s MET 66 N 0.46 1.25 0.60 4.92 0.23 -0.10 -1.78 119.30 124.88 2ksh s MET 66 Ca -0.07 -0.48 -0.18 0.00 -1.03 0.00 0.00 55.69 53.92 2ksh s MET 66 Cb -0.15 0.56 -0.03 0.00 -1.53 0.00 0.00 34.83 33.68 2ksh s MET 66 CO 0.04 -0.55 1.19 -1.21 -2.03 0.00 0.00 175.02 172.47 2ksh s GLU 67 N -3.68 2.93 0.15 3.16 0.41 -1.26 -2.35 118.70 118.07 2ksh s GLU 67 Ca 0.02 1.78 -0.22 0.00 -0.41 0.00 0.00 54.97 56.14 2ksh s GLU 67 Cb -0.01 -1.93 0.03 0.00 -1.78 0.00 0.00 34.13 30.44 2ksh s GLU 67 CO -0.11 -1.22 1.64 0.22 -0.49 0.00 0.00 175.26 175.29 2ksh h ASP 68 N 0.78 -0.71 -0.10 -0.19 3.58 -1.74 0.33 116.42 118.37 2ksh h ASP 68 Ca -0.50 0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.07 2ksh h ASP 68 Cb 1.29 0.34 -0.01 0.00 1.72 0.00 0.00 39.33 42.67 2ksh h ASP 68 CO 0.55 -0.26 0.05 -2.24 -2.88 0.00 0.00 179.24 174.46 2ksh h ASP 69 N -0.22 0.17 0.06 2.28 2.03 -1.92 -2.61 116.42 116.22 2ksh h ASP 69 Ca 0.14 -0.01 -0.00 0.00 -0.73 0.00 0.00 57.03 56.43 2ksh h ASP 69 Cb 0.43 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 2ksh h ASP 69 CO -0.38 0.17 -0.03 0.40 -1.03 0.00 0.00 179.24 178.37 2ksh h ILE 70 N 0.19 1.25 -0.92 4.15 1.08 -1.34 -2.98 117.51 118.94 2ksh h ILE 70 Ca 0.05 -1.30 0.22 0.00 -0.39 0.00 0.00 64.86 63.45 2ksh h ILE 70 Cb 0.06 2.07 -0.06 0.00 -3.07 0.00 0.00 36.82 35.81 2ksh h ILE 70 CO -0.00 0.31 0.62 -0.03 -0.69 0.00 0.00 178.15 178.35 2ksh h MET 71 N -0.69 0.32 -0.38 2.37 1.85 -0.20 0.68 114.93 118.88 2ksh h MET 71 Ca -0.01 -0.02 -0.11 0.00 -0.61 0.00 0.00 59.70 58.95 2ksh h MET 71 Cb 0.58 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.52 2ksh h MET 71 CO 0.01 0.21 -0.19 0.35 -0.40 0.00 0.00 176.91 176.89 2ksh h PHE 72 N 0.33 0.93 -0.54 1.39 3.57 -1.46 0.47 116.94 121.63 2ksh h PHE 72 Ca 0.48 -0.23 0.09 0.00 3.53 0.00 0.00 57.97 61.84 2ksh h PHE 72 Cb 1.32 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 39.77 2ksh h PHE 72 CO -0.00 0.99 0.13 0.00 -2.23 0.00 0.00 178.31 177.19 2ksh h ALA 73 N 0.80 0.63 0.00 2.41 0.00 -0.71 0.27 119.26 122.66 2ksh h ALA 73 Ca 0.08 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2ksh h ALA 73 Cb 0.74 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2ksh h ALA 73 CO 0.06 -0.29 -0.71 0.82 0.00 0.00 0.00 179.25 179.13 2ksh h ILE 74 N 0.27 0.00 0.07 0.00 5.03 -1.47 0.66 117.51 122.08 2ksh h ILE 74 Ca 0.27 -0.75 -0.28 0.00 -0.12 0.00 0.00 64.86 63.98 2ksh h ILE 74 Cb 0.37 1.34 0.02 0.00 -3.03 0.00 0.00 36.82 35.53 2ksh h ILE 74 CO -0.34 0.00 -1.16 1.23 -0.68 0.00 0.00 178.15 177.20 2ksh h GLY 75 N 4.25 0.71 -0.67 5.37 0.00 0.11 -3.22 103.07 109.62 2ksh h GLY 75 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 47.33 45.94 2ksh h GLY 75 CO 0.00 1.23 0.00 -0.37 0.00 0.00 0.00 176.54 177.40 2ksh n THR 76 N -3.80 0.16 -0.96 4.70 5.66 0.83 -4.89 114.28 115.97 2ksh n THR 76 Ca -0.12 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.57 2ksh n THR 76 Cb 0.95 0.36 0.00 0.00 -1.55 0.00 0.00 70.33 70.08 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 1.12 0.46 0.00 1.09 0.00 -1.22 -4.98 105.19 101.67 2ksh n GLY 77 Ca 0.17 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.89 -0.14 -2.83 4.61 0.00 0.20 -4.85 120.51 118.39 2ksh n ALA 78 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2ksh n ALA 78 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.46 4.09 0.30 0.00 1.43 0.74 -4.96 118.68 117.81 2ksh s LEU 79 Ca 0.00 0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 53.06 2ksh s LEU 79 Cb 0.00 -2.32 -0.10 0.00 0.03 0.00 0.00 46.19 43.80 2ksh s LEU 79 CO 0.00 0.30 1.24 -2.16 0.23 0.00 0.00 176.35 175.95 2ksh s PRO 80 N -1.64 4.46 0.58 1.29 0.04 -1.26 -3.52 135.00 134.94 2ksh s PRO 80 Ca 0.22 2.06 0.27 0.00 0.04 0.00 0.00 61.00 63.59 2ksh s PRO 80 Cb -0.12 -3.13 1.62 0.00 0.04 0.00 0.00 34.50 32.92 2ksh s PRO 80 CO 0.13 -0.06 2.12 0.00 0.04 0.00 0.00 177.00 179.24 2ksh h ALA 81 N 3.75 1.84 0.53 8.56 0.00 -1.95 -2.51 119.26 129.47 2ksh h ALA 81 Ca -0.48 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 2ksh h ALA 81 Cb 1.22 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.03 2ksh h ALA 81 CO 0.67 -0.24 -0.25 -0.22 0.00 0.00 0.00 179.25 179.21 2ksh h LYS 82 N 0.00 -0.68 0.00 0.00 1.63 -1.99 -2.14 116.57 113.40 2ksh h LYS 82 Ca 0.08 0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.95 2ksh h LYS 82 Cb 0.40 0.15 -0.05 0.00 -0.60 0.00 0.00 32.23 32.13 2ksh h LYS 82 CO -0.00 -0.38 -0.31 0.93 -3.45 0.00 0.00 179.45 176.24 2ksh h GLU 83 N -1.03 -0.44 -1.00 1.90 5.08 -1.85 0.45 114.58 117.68 2ksh h GLU 83 Ca -0.07 0.03 0.20 0.00 -1.00 0.00 0.00 59.36 58.52 2ksh h GLU 83 Cb 0.62 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 29.86 2ksh h GLU 83 CO 0.12 -0.30 0.61 0.00 -1.00 0.00 0.00 179.01 178.44 2ksh h ALA 84 N 0.28 1.69 0.00 3.43 0.00 -1.55 0.39 119.26 123.51 2ksh h ALA 84 Ca 0.06 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2ksh h ALA 84 Cb 0.55 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2ksh h ALA 84 CO -0.26 -0.08 -0.46 0.52 0.00 0.00 0.00 179.25 178.97 2ksh h MET 85 N 0.74 0.00 -0.30 0.00 2.86 -0.57 0.31 114.93 117.97 2ksh h MET 85 Ca 0.59 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 58.05 2ksh h MET 85 Cb 0.95 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.61 2ksh h MET 85 CO -0.39 0.46 -0.53 0.00 1.06 0.00 0.00 176.91 177.50 2ksh h ALA 86 N 1.54 0.48 -0.17 6.32 0.00 0.19 -2.86 119.26 124.76 2ksh h ALA 86 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2ksh h ALA 86 Cb 0.94 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2ksh h ALA 86 CO 0.06 0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.99 2ksh n GLN 87 N -4.01 1.50 -1.49 0.00 10.64 -0.54 -4.85 117.38 118.63 2ksh n GLN 87 Ca -0.04 -0.64 -0.17 0.00 -1.83 0.00 0.00 57.00 54.32 2ksh n GLN 87 Cb 0.62 -1.24 -0.07 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 0.03 -5.12 0.00 2.61 8.00 -1.08 -4.83 116.55 116.16 2ksh n ASP 88 Ca 0.06 0.41 0.14 0.00 0.71 0.00 0.00 54.79 56.11 2ksh n ASP 88 Cb 0.21 -4.09 0.71 0.00 -0.02 0.00 0.00 41.12 37.93 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 -2.37 0.44 -3.58 -1.24 4.76 0.11 -4.81 118.16 111.46 2ksh n LYS 89 Ca -0.17 0.02 -0.13 0.00 -2.87 0.00 0.00 58.31 55.16 2ksh n LYS 89 Cb 0.57 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 32.19 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 -2.52 0.77 0.22 1.97 0.23 -1.13 -4.32 119.30 114.51 2ksh s MET 90 Ca 0.28 0.46 0.08 0.00 -1.03 0.00 0.00 55.69 55.47 2ksh s MET 90 Cb 0.19 0.37 -0.05 0.00 -1.53 0.00 0.00 34.83 33.80 2ksh s MET 90 CO 0.41 -0.18 -0.13 -1.21 -2.03 0.00 0.00 175.02 171.88 2ksh s GLU 91 N -0.52 1.38 -0.07 3.16 8.01 -0.73 -4.38 118.70 125.53 2ksh s GLU 91 Ca -0.03 -1.63 -0.11 0.00 0.01 0.00 0.00 54.97 53.21 2ksh s GLU 91 Cb -0.02 -1.13 0.02 0.00 -4.31 0.00 0.00 34.13 28.69 2ksh s GLU 91 CO 0.02 0.16 0.28 0.54 0.01 0.00 0.00 175.26 176.27 2ksh s VAL 92 N -2.98 0.02 0.51 2.63 0.11 -1.26 -2.06 120.40 117.38 2ksh s VAL 92 Ca 0.24 -0.19 0.01 0.00 -2.93 0.00 0.00 61.98 59.11 2ksh s VAL 92 Cb 0.00 -0.47 -0.00 0.00 -1.53 0.00 0.00 36.38 34.38 2ksh s VAL 92 CO 0.08 -0.10 0.03 -0.62 -3.33 0.00 0.00 175.10 171.15 2ksh s ASP 93 N -0.37 3.96 0.70 3.54 2.15 0.11 -4.94 116.67 121.82 2ksh s ASP 93 Ca -0.05 -1.71 0.00 0.00 0.43 0.00 0.00 52.55 51.22 2ksh s ASP 93 Cb -0.03 0.68 0.00 0.00 -0.30 0.00 0.00 42.92 43.26 2ksh s ASP 93 CO 0.01 -0.94 0.00 0.61 -0.17 0.00 0.00 175.17 174.69 2ksh n GLY 94 N -1.25 1.78 3.28 2.66 0.00 -1.26 -2.66 105.19 107.73 2ksh n GLY 94 Ca -0.19 -0.68 -0.44 0.00 0.00 0.00 0.00 46.02 44.71 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 2.82 0.50 1.61 1.11 -1.23 -4.93 119.66 119.54 2ksh s GLN 95 Ca 0.00 -1.75 0.30 0.00 0.01 0.00 0.00 55.36 53.92 2ksh s GLN 95 Cb 0.00 -4.17 1.40 0.00 -1.01 0.00 0.00 33.01 29.23 2ksh s GLN 95 CO 0.00 -1.28 1.81 0.28 0.01 0.00 0.00 175.29 176.11 2ksh h VAL 96 N 5.95 0.48 0.11 1.09 2.07 -1.93 -0.16 116.25 123.86 2ksh h VAL 96 Ca -0.26 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2ksh h VAL 96 Cb 1.09 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2ksh h VAL 96 CO 0.97 0.02 -0.05 -0.08 0.02 0.00 0.00 177.57 178.45 2ksh h GLU 97 N 0.12 -0.15 0.14 1.57 4.81 -1.98 -2.27 114.58 116.83 2ksh h GLU 97 Ca 0.54 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.79 2ksh h GLU 97 Cb 1.91 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 31.27 2ksh h GLU 97 CO -0.09 0.22 -0.49 -0.07 -0.73 0.00 0.00 179.01 177.85 2ksh h LEU 98 N -0.55 -1.44 -1.27 1.64 3.38 -1.46 0.30 115.31 115.91 2ksh h LEU 98 Ca -0.02 0.15 0.17 0.00 0.09 0.00 0.00 57.88 58.28 2ksh h LEU 98 Cb 0.44 0.53 -0.08 0.00 0.09 0.00 0.00 40.66 41.64 2ksh h LEU 98 CO 0.03 -0.54 0.60 -0.29 0.09 0.00 0.00 178.44 178.32 2ksh h ILE 99 N -0.73 0.76 -0.07 1.22 6.09 -1.53 0.14 117.51 123.39 2ksh h ILE 99 Ca 0.00 -0.22 -0.13 0.00 -1.37 0.00 0.00 64.86 63.14 2ksh h ILE 99 Cb 0.74 0.06 -0.01 0.00 0.47 0.00 0.00 36.82 38.08 2ksh h ILE 99 CO -0.26 0.12 -0.55 0.15 -3.07 0.00 0.00 178.15 174.54 2ksh h PHE 100 N 0.64 0.26 0.00 2.19 3.57 -0.62 -2.68 116.94 120.30 2ksh h PHE 100 Ca 0.49 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.90 2ksh h PHE 100 Cb 0.89 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.58 2ksh h PHE 100 CO -0.00 0.71 0.00 1.28 -2.23 0.00 0.00 178.31 178.06 2ksh n LEU 101 N -3.91 0.55 0.08 0.59 7.99 0.93 -2.28 117.00 120.94 2ksh n LEU 101 Ca -0.02 0.65 -0.16 0.00 -0.01 0.00 0.00 56.01 56.48 2ksh n LEU 101 Cb 0.57 -0.60 -0.14 0.00 -0.11 0.00 0.00 43.42 43.15 2ksh n LEU 101 CO 0.43 -0.57 -0.19 -0.07 -1.51 0.00 0.00 177.39 175.49 2ksh h LEU 102 N 0.00 0.38 -0.34 2.23 3.38 -1.17 -3.30 115.31 116.49 2ksh h LEU 102 Ca 0.00 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.56 2ksh h LEU 102 Cb 0.29 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.84 2ksh h LEU 102 CO 0.00 1.37 -0.51 -0.33 0.09 0.00 0.00 178.44 179.06 2ksh h GLU 103 N 0.07 -0.40 0.00 1.13 4.39 -1.51 0.42 114.58 118.67 2ksh h GLU 103 Ca -0.18 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.54 2ksh h GLU 103 Cb 1.98 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.73 2ksh h GLU 103 CO 0.18 -0.27 0.00 -0.35 -1.16 0.00 0.00 179.01 177.41 2ksh n PRO 104 N -5.41 0.26 0.02 2.33 -0.04 -1.26 -2.15 135.00 128.75 2ksh n PRO 104 Ca -0.03 0.12 0.04 0.00 -0.04 0.00 0.00 63.50 63.59 2ksh n PRO 104 Cb 0.36 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.22 2ksh n PRO 104 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2ksh n PHE 105 N -1.24 0.60 0.25 0.54 7.35 0.13 -4.09 117.46 121.00 2ksh n PHE 105 Ca 0.08 0.19 0.13 0.00 -0.76 0.00 0.00 57.45 57.09 2ksh n PHE 105 Cb 0.11 -0.90 0.79 0.00 0.35 0.00 0.00 39.48 39.83 2ksh n PHE 105 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2ksh h ILE 106 N 0.00 0.69 -0.24 -2.13 2.04 -0.60 -0.91 117.51 116.37 2ksh h ILE 106 Ca -0.14 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.79 2ksh h ILE 106 Cb 1.39 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 2ksh h ILE 106 CO 0.02 0.00 0.21 0.00 0.00 0.00 0.00 178.15 178.38 2ksh h ALA 107 N 1.94 2.00 0.00 1.87 0.00 -1.74 -0.68 119.26 122.66 2ksh h ALA 107 Ca 0.03 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 2ksh h ALA 107 Cb 0.17 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2ksh h ALA 107 CO -0.00 -0.33 -2.17 0.45 0.00 0.00 0.00 179.25 177.19 2ksh n SER 108 N -4.06 0.31 -1.92 0.00 2.88 -0.39 -4.32 113.62 106.11 2ksh n SER 108 Ca 0.03 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.43 2ksh n SER 108 Cb 0.35 1.32 0.19 0.00 -0.75 0.00 0.00 64.21 65.32 2ksh n SER 108 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2ksh n LEU 109 N -2.53 5.80 0.00 2.46 7.94 -0.66 -5.02 117.00 124.99 2ksh n LEU 109 Ca -0.21 -3.06 0.00 0.00 -1.11 0.00 0.00 56.01 51.63 2ksh n LEU 109 Cb 0.91 -0.75 0.00 0.00 0.53 0.00 0.00 43.42 44.11 2ksh n LEU 109 CO 0.41 0.86 0.00 1.17 -1.11 0.00 0.00 177.39 178.73