#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 1.25 0.04 6.12 1.04 -1.26 -5.15 113.70 115.74 2ksh s SER 2 Ca 0.00 -0.28 0.09 0.00 0.48 0.00 0.00 55.95 56.24 2ksh s SER 2 Cb 0.00 -0.11 -0.03 0.00 0.10 0.00 0.00 66.02 65.98 2ksh s SER 2 CO 0.00 0.07 -0.25 -0.76 0.98 0.00 0.00 173.24 173.28 2ksh s LEU 3 N -0.56 2.21 0.36 2.42 1.43 -1.26 -5.02 118.68 118.25 2ksh s LEU 3 Ca 0.02 -0.57 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 2ksh s LEU 3 Cb -0.05 -1.32 0.67 0.00 0.03 0.00 0.00 46.19 45.52 2ksh s LEU 3 CO 0.00 0.26 1.99 0.11 0.23 0.00 0.00 176.35 178.94 2ksh h LYS 4 N 4.80 0.71 -0.35 1.70 1.57 -2.02 -1.57 116.57 121.42 2ksh h LYS 4 Ca -0.46 -0.07 0.10 0.00 -1.87 0.00 0.00 60.65 58.35 2ksh h LYS 4 Cb 1.14 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 2ksh h LYS 4 CO 0.44 0.52 0.32 0.66 -0.57 0.00 0.00 179.45 180.82 2ksh h SER 5 N 0.72 0.00 -0.84 0.86 4.64 -1.95 -0.44 113.55 116.54 2ksh h SER 5 Ca 0.19 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.64 2ksh h SER 5 Cb 0.01 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.04 2ksh h SER 5 CO -0.03 0.00 0.55 -0.78 -0.87 0.00 0.00 176.83 175.69 2ksh h ASP 6 N 0.00 0.60 -0.05 4.97 1.82 -1.70 -1.60 116.42 120.46 2ksh h ASP 6 Ca 0.17 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.83 2ksh h ASP 6 Cb 0.80 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 40.72 2ksh h ASP 6 CO -0.00 0.32 0.01 -0.08 -1.61 0.00 0.00 179.24 177.88 2ksh h GLU 7 N 0.64 0.08 -0.25 0.28 4.81 -1.24 -1.09 114.58 117.81 2ksh h GLU 7 Ca 0.41 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.65 2ksh h GLU 7 Cb 0.69 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 2ksh h GLU 7 CO -0.17 0.27 0.06 0.28 -0.73 0.00 0.00 179.01 178.73 2ksh h VAL 8 N -0.12 0.91 -0.24 0.32 2.07 -1.43 -0.53 116.25 117.22 2ksh h VAL 8 Ca 0.02 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 2ksh h VAL 8 Cb 0.23 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2ksh h VAL 8 CO -0.00 0.03 0.03 -0.26 0.02 0.00 0.00 177.57 177.39 2ksh h PHE 9 N 0.17 0.34 -0.13 1.57 0.04 -1.28 0.14 116.94 117.78 2ksh h PHE 9 Ca 0.11 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 2ksh h PHE 9 Cb 0.10 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 2ksh h PHE 9 CO -0.14 0.33 -0.09 0.00 -0.60 0.00 0.00 178.31 177.81 2ksh h ALA 10 N 1.70 0.19 -0.23 2.45 0.00 -0.33 -0.63 119.26 122.41 2ksh h ALA 10 Ca 0.08 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2ksh h ALA 10 Cb 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2ksh h ALA 10 CO 0.00 0.01 -0.21 1.57 0.00 0.00 0.00 179.25 180.61 2ksh h LYS 11 N -0.07 0.56 -0.62 0.00 2.10 -0.84 -2.92 116.57 114.78 2ksh h LYS 11 Ca 0.03 -0.29 -0.02 0.00 -2.00 0.00 0.00 60.65 58.37 2ksh h LYS 11 Cb 0.57 0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.88 2ksh h LYS 11 CO 0.02 0.87 0.31 0.82 -2.00 0.00 0.00 179.45 179.48 2ksh h ILE 12 N 0.26 1.21 -0.49 0.07 2.04 -0.78 -2.83 117.51 116.98 2ksh h ILE 12 Ca 0.04 -0.58 0.06 0.00 1.00 0.00 0.00 64.86 65.38 2ksh h ILE 12 Cb 0.76 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 2ksh h ILE 12 CO 0.05 0.24 0.20 0.00 0.00 0.00 0.00 178.15 178.64 2ksh h ALA 13 N 1.14 0.61 -0.94 1.87 0.00 -1.10 -1.51 119.26 119.32 2ksh h ALA 13 Ca 0.21 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.27 2ksh h ALA 13 Cb 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 2ksh h ALA 13 CO -0.03 -0.18 0.61 0.87 0.00 0.00 0.00 179.25 180.52 2ksh h LYS 14 N 0.39 0.93 -0.05 0.00 1.79 -1.31 0.08 116.57 118.41 2ksh h LYS 14 Ca 0.23 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.58 2ksh h LYS 14 Cb 0.21 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 2ksh h LYS 14 CO -0.21 0.61 -0.28 -0.09 -1.08 0.00 0.00 179.45 178.40 2ksh h ARG 15 N 0.96 0.08 0.00 3.15 9.65 -1.12 -2.10 114.38 125.00 2ksh h ARG 15 Ca 0.44 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.30 2ksh h ARG 15 Cb 0.41 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 2ksh h ARG 15 CO -0.20 0.36 0.00 -0.07 2.80 0.00 0.00 179.97 182.86 2ksh h LEU 16 N 0.08 0.00 0.00 3.80 3.38 -0.48 0.86 115.31 122.95 2ksh h LEU 16 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2ksh h LEU 16 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2ksh h LEU 16 CO 0.04 0.00 -0.40 -0.62 0.09 0.00 0.00 178.44 177.55 2ksh n GLU 17 N -2.66 0.10 0.01 1.13 1.02 -0.79 -3.60 120.64 115.85 2ksh n GLU 17 Ca -0.01 0.04 0.11 0.00 -0.02 0.00 0.00 57.16 57.27 2ksh n GLU 17 Cb 0.10 -1.57 -0.09 0.00 -0.02 0.00 0.00 31.44 29.86 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 -1.72 0.46 -4.75 1.62 2.88 0.28 -4.96 113.62 107.44 2ksh n SER 18 Ca 0.05 -0.25 -0.36 0.00 -1.33 0.00 0.00 58.87 56.98 2ksh n SER 18 Cb 0.37 1.30 0.04 0.00 -0.75 0.00 0.00 64.21 65.17 2ksh n SER 18 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2ksh s ILE 19 N -3.30 2.52 0.04 2.46 1.01 -1.09 -5.04 121.20 117.79 2ksh s ILE 19 Ca -0.00 0.32 0.07 0.00 0.00 0.00 0.00 60.65 61.04 2ksh s ILE 19 Cb 0.14 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 2ksh s ILE 19 CO 0.86 -0.07 -0.21 -0.62 0.00 0.00 0.00 174.94 174.90 2ksh s ASP 20 N -1.58 2.45 0.30 3.58 2.15 -1.26 -5.04 116.67 117.28 2ksh s ASP 20 Ca 0.78 -0.50 0.09 0.00 0.43 0.00 0.00 52.55 53.35 2ksh s ASP 20 Cb -0.31 -0.21 0.48 0.00 -0.30 0.00 0.00 42.92 42.58 2ksh s ASP 20 CO 0.35 0.17 1.70 1.55 -0.17 0.00 0.00 175.17 178.76 2ksh h PRO 21 N 4.96 0.11 -0.12 4.34 0.13 -2.00 -2.96 132.00 136.47 2ksh h PRO 21 Ca -0.42 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 2ksh h PRO 21 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2ksh h PRO 21 CO 0.44 0.56 0.09 0.00 -0.23 0.00 0.00 178.00 178.86 2ksh h ALA 22 N 1.43 2.06 -1.40 -0.56 0.00 -2.04 -3.40 119.26 115.35 2ksh h ALA 22 Ca 0.00 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2ksh h ALA 22 Cb 0.88 0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.47 2ksh h ALA 22 CO 0.07 -0.15 -0.18 1.21 0.00 0.00 0.00 179.25 180.20 2ksh s ASN 23 N -6.78 -1.23 0.00 0.00 3.84 -1.12 -5.01 114.94 104.65 2ksh s ASN 23 Ca -0.05 1.15 0.00 0.00 0.21 0.00 0.00 52.86 54.17 2ksh s ASN 23 Cb 0.17 2.19 0.00 0.00 -0.55 0.00 0.00 41.25 43.06 2ksh s ASN 23 CO 0.67 -0.23 0.41 -2.11 -2.79 0.00 0.00 177.10 173.05 2ksh n ARG 24 N 5.42 0.00 0.00 0.43 -4.01 -1.24 -4.20 116.66 113.07 2ksh n ARG 24 Ca -0.06 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.75 2ksh n ARG 24 Cb 0.50 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.92 2ksh n ARG 24 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 2ksh n GLN 25 N 0.00 0.00 -3.49 2.89 1.13 -1.26 -4.55 117.38 112.09 2ksh n GLN 25 Ca 0.00 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.91 2ksh n GLN 25 Cb 0.44 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.74 2ksh n GLN 25 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2ksh s VAL 26 N 0.00 0.00 -0.30 5.09 0.11 -1.26 -5.16 120.40 118.88 2ksh s VAL 26 Ca 0.00 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 58.91 2ksh s VAL 26 Cb 0.00 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 34.00 2ksh s VAL 26 CO 0.00 0.00 0.89 -1.83 -3.33 0.00 0.00 175.10 170.83 2ksh s GLU 27 N -2.02 0.38 0.26 1.54 -1.05 -1.26 -5.05 118.70 111.50 2ksh s GLU 27 Ca -0.06 0.93 0.03 0.00 -0.15 0.00 0.00 54.97 55.72 2ksh s GLU 27 Cb -0.00 0.52 -0.05 0.00 -0.44 0.00 0.00 34.13 34.15 2ksh s GLU 27 CO 0.02 -0.13 0.05 -1.01 0.95 0.00 0.00 175.26 175.14 2ksh s HIS 28 N 2.47 1.64 0.09 4.83 3.76 -1.26 -5.01 115.29 121.80 2ksh s HIS 28 Ca -0.04 -1.03 -0.31 0.00 -0.15 0.00 0.00 55.06 53.53 2ksh s HIS 28 Cb -0.07 -0.99 -0.09 0.00 1.11 0.00 0.00 32.58 32.54 2ksh s HIS 28 CO -0.18 -0.14 1.79 0.08 -0.85 0.00 0.00 174.74 175.43 2ksh s VAL 29 N -3.52 2.81 -0.08 -0.90 1.01 -1.26 -4.85 120.40 113.60 2ksh s VAL 29 Ca 0.34 0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.53 2ksh s VAL 29 Cb 0.07 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.34 2ksh s VAL 29 CO 0.12 -0.00 -0.05 -0.31 0.00 0.00 0.00 175.10 174.86 2ksh s TYR 30 N 3.01 1.04 -0.02 5.22 2.02 -1.24 -0.20 117.35 127.17 2ksh s TYR 30 Ca 0.79 -0.41 -0.18 0.00 -0.37 0.00 0.00 57.07 56.91 2ksh s TYR 30 Cb -0.43 -0.94 -0.05 0.00 -0.40 0.00 0.00 41.96 40.13 2ksh s TYR 30 CO 0.35 -0.35 0.51 -1.59 -1.57 0.00 0.00 175.55 172.90 2ksh s LYS 31 N 1.50 4.20 -0.07 -0.62 -2.85 -0.92 -2.26 119.74 118.72 2ksh s LYS 31 Ca -0.01 0.57 0.01 0.00 -1.00 0.00 0.00 55.97 55.54 2ksh s LYS 31 Cb -0.13 -3.32 -0.03 0.00 -2.06 0.00 0.00 37.83 32.29 2ksh s LYS 31 CO -0.04 0.44 -0.09 -0.06 0.10 0.00 0.00 175.35 175.70 2ksh s PHE 32 N -0.36 2.88 -0.25 1.78 0.40 0.62 -1.23 117.98 121.83 2ksh s PHE 32 Ca 0.27 -0.07 -0.05 0.00 -0.60 0.00 0.00 56.93 56.48 2ksh s PHE 32 Cb -0.17 -1.71 -0.01 0.00 0.51 0.00 0.00 43.02 41.64 2ksh s PHE 32 CO 0.15 0.25 0.01 1.03 0.70 0.00 0.00 175.22 177.36 2ksh s ARG 33 N -0.66 3.35 -0.34 0.44 0.52 0.48 -0.23 118.95 122.51 2ksh s ARG 33 Ca 0.10 -0.66 -0.12 0.00 -0.52 0.00 0.00 55.73 54.53 2ksh s ARG 33 Cb -0.11 -3.17 -0.01 0.00 0.52 0.00 0.00 34.95 32.18 2ksh s ARG 33 CO 0.02 -0.26 0.21 0.42 0.02 0.00 0.00 175.30 175.70 2ksh s ILE 34 N 1.51 4.99 -0.02 1.52 -1.09 -0.18 -2.01 121.20 125.92 2ksh s ILE 34 Ca 0.05 -0.36 -0.02 0.00 -2.23 0.00 0.00 60.65 58.09 2ksh s ILE 34 Cb -0.15 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 2ksh s ILE 34 CO -0.00 -0.02 0.12 0.42 -1.23 0.00 0.00 174.94 174.23 2ksh s THR 35 N 1.67 5.05 -0.44 2.92 -4.23 -1.19 -1.02 115.64 118.39 2ksh s THR 35 Ca 0.05 -0.24 -0.14 0.00 -1.18 0.00 0.00 61.69 60.18 2ksh s THR 35 Cb -0.17 -3.31 0.06 0.00 1.34 0.00 0.00 72.50 70.42 2ksh s THR 35 CO 0.09 0.38 0.33 -1.58 -0.54 0.00 0.00 174.62 173.30 2ksh s GLN 36 N -1.69 2.88 0.00 3.99 0.74 0.19 -3.20 119.66 122.56 2ksh s GLN 36 Ca 0.23 -1.31 0.00 0.00 0.05 0.00 0.00 55.36 54.33 2ksh s GLN 36 Cb -0.12 -3.99 0.00 0.00 1.10 0.00 0.00 33.01 30.00 2ksh s GLN 36 CO 0.14 -0.94 0.00 0.41 -0.55 0.00 0.00 175.29 174.35 2ksh n GLY 37 N 5.11 1.51 0.00 2.59 0.00 -1.26 -3.22 105.19 109.93 2ksh n GLY 37 Ca -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 2.99 -0.02 0.00 -1.26 -5.07 105.19 101.82 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 0.54 0.20 1.61 2.20 -1.20 -5.07 119.74 118.03 2ksh s LYS 39 Ca 0.00 -0.26 -0.32 0.00 -0.36 0.00 0.00 55.97 55.03 2ksh s LYS 39 Cb 0.00 -0.52 -0.14 0.00 -1.51 0.00 0.00 37.83 35.66 2ksh s LYS 39 CO 0.00 0.14 1.37 1.55 -0.36 0.00 0.00 175.35 178.05 2ksh n VAL 40 N 2.86 0.74 0.00 4.02 3.14 -1.26 0.55 118.33 128.38 2ksh n VAL 40 Ca -0.13 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 2ksh n VAL 40 Cb 0.58 -1.29 0.00 0.00 -1.06 0.00 0.00 33.84 32.07 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 2.05 0.00 -3.54 1.55 3.14 -0.19 -4.73 118.33 116.61 2ksh n VAL 41 Ca 0.14 -0.08 -0.07 0.00 -2.96 0.00 0.00 64.34 61.36 2ksh n VAL 41 Cb 0.29 0.51 -0.02 0.00 -1.06 0.00 0.00 33.84 33.55 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 -1.36 0.64 -0.05 1.45 2.20 -0.91 -5.04 119.74 116.68 2ksh s LYS 42 Ca 0.00 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 2ksh s LYS 42 Cb 0.00 0.30 0.02 0.00 -1.51 0.00 0.00 37.83 36.64 2ksh s LYS 42 CO 0.00 -0.28 -0.02 -0.80 -0.36 0.00 0.00 175.35 173.89 2ksh s ASN 43 N -2.28 1.00 0.15 1.43 0.01 -1.26 -1.01 114.94 112.98 2ksh s ASN 43 Ca 0.06 -0.09 0.05 0.00 -0.71 0.00 0.00 52.86 52.17 2ksh s ASN 43 Cb -0.01 -0.39 -0.04 0.00 0.41 0.00 0.00 41.25 41.22 2ksh s ASN 43 CO -0.07 -0.11 0.09 0.26 -1.51 0.00 0.00 177.10 175.76 2ksh s TRP 44 N 1.25 3.08 -0.04 2.20 0.52 0.68 -3.77 118.94 122.86 2ksh s TRP 44 Ca -0.06 -0.03 0.05 0.00 0.02 0.00 0.00 56.10 56.08 2ksh s TRP 44 Cb -0.14 -1.50 -0.01 0.00 -1.15 0.00 0.00 33.47 30.67 2ksh s TRP 44 CO -0.02 0.52 -0.20 0.54 0.02 0.00 0.00 176.95 177.81 2ksh s VAL 45 N -1.66 1.64 -0.33 4.03 0.11 0.11 -0.28 120.40 124.03 2ksh s VAL 45 Ca 0.30 -0.85 -0.14 0.00 -2.93 0.00 0.00 61.98 58.35 2ksh s VAL 45 Cb -0.10 -1.39 -0.02 0.00 -1.53 0.00 0.00 36.38 33.34 2ksh s VAL 45 CO 0.22 0.47 0.28 -0.32 -3.33 0.00 0.00 175.10 172.42 2ksh s MET 46 N -0.20 3.60 -0.23 1.54 1.75 -0.96 -1.92 119.30 122.89 2ksh s MET 46 Ca 0.01 -0.49 -0.27 0.00 -1.25 0.00 0.00 55.69 53.69 2ksh s MET 46 Cb -0.11 -3.78 0.00 0.00 2.84 0.00 0.00 34.83 33.78 2ksh s MET 46 CO 0.01 -0.43 0.92 0.34 -0.65 0.00 0.00 175.02 175.22 2ksh s ASP 47 N 1.73 6.97 0.05 1.11 2.15 -0.12 -3.65 116.67 124.90 2ksh s ASP 47 Ca 0.09 1.20 0.22 0.00 0.43 0.00 0.00 52.55 54.49 2ksh s ASP 47 Cb -0.17 -2.48 -0.15 0.00 -0.30 0.00 0.00 42.92 39.82 2ksh s ASP 47 CO 0.11 -0.57 0.79 -0.11 -0.17 0.00 0.00 175.17 175.22 2ksh n LEU 48 N 6.04 0.44 0.08 -1.34 -0.00 -1.26 -1.89 117.00 119.07 2ksh n LEU 48 Ca 0.08 0.04 -0.22 0.00 -0.00 0.00 0.00 56.01 55.92 2ksh n LEU 48 Cb 0.47 -0.04 -0.13 0.00 -0.00 0.00 0.00 43.42 43.72 2ksh n LEU 48 CO 0.49 -0.02 -0.03 0.50 -0.00 0.00 0.00 177.39 178.33 2ksh h LYS 49 N 0.00 0.54 0.00 1.96 3.64 -1.95 -3.34 116.57 117.42 2ksh h LYS 49 Ca 0.00 -0.75 0.00 0.00 -1.27 0.00 0.00 60.65 58.63 2ksh h LYS 49 Cb 0.90 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2ksh h LYS 49 CO 0.00 1.34 -1.09 0.09 -2.27 0.00 0.00 179.45 177.52 2ksh n ASN 50 N -3.89 0.83 -2.61 4.20 3.02 -1.26 -5.00 115.26 110.56 2ksh n ASN 50 Ca -0.14 -0.68 -0.16 0.00 -0.03 0.00 0.00 54.58 53.58 2ksh n ASN 50 Cb 0.94 1.22 0.06 0.00 -0.61 0.00 0.00 39.78 41.38 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 -2.29 -4.09 2.41 0.31 -0.79 -5.03 118.33 107.24 2ksh n VAL 51 Ca 0.02 -0.04 -0.13 0.00 -0.01 0.00 0.00 64.34 64.18 2ksh n VAL 51 Cb 0.33 -3.32 -0.11 0.00 -0.91 0.00 0.00 33.84 29.83 2ksh n VAL 51 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2ksh s LYS 52 N -5.78 0.62 -0.13 5.55 -2.85 -1.00 -4.77 119.74 111.38 2ksh s LYS 52 Ca 0.35 -0.91 -0.11 0.00 -1.00 0.00 0.00 55.97 54.30 2ksh s LYS 52 Cb -0.15 -0.29 -0.05 0.00 -2.06 0.00 0.00 37.83 35.28 2ksh s LYS 52 CO 0.50 0.04 0.22 -0.51 0.10 0.00 0.00 175.35 175.69 2ksh s LEU 53 N -1.96 4.33 0.24 2.77 1.02 -1.26 -0.95 118.68 122.86 2ksh s LEU 53 Ca -0.04 0.50 -0.06 0.00 0.02 0.00 0.00 54.13 54.55 2ksh s LEU 53 Cb -0.06 -2.23 -0.02 0.00 0.02 0.00 0.00 46.19 43.90 2ksh s LEU 53 CO -0.01 0.27 0.31 0.68 0.02 0.00 0.00 176.35 177.62 2ksh s VAL 54 N -0.35 0.00 -0.42 -1.59 -7.23 -0.81 -4.98 120.40 105.03 2ksh s VAL 54 Ca 0.15 -1.73 -0.15 0.00 -1.81 0.00 0.00 61.98 58.45 2ksh s VAL 54 Cb -0.13 -2.39 0.03 0.00 0.56 0.00 0.00 36.38 34.45 2ksh s VAL 54 CO 0.04 0.00 0.31 -1.83 -0.31 0.00 0.00 175.10 173.31 2ksh s GLU 55 N -3.98 2.96 0.29 4.82 -1.05 -1.26 -0.71 118.70 119.77 2ksh s GLU 55 Ca 0.32 -1.09 -0.13 0.00 -0.15 0.00 0.00 54.97 53.92 2ksh s GLU 55 Cb 0.03 -4.00 0.01 0.00 -0.44 0.00 0.00 34.13 29.73 2ksh s GLU 55 CO 0.12 -0.80 0.55 0.45 0.95 0.00 0.00 175.26 176.53 2ksh s SER 56 N 1.86 0.06 -0.01 0.83 0.15 -1.25 -4.91 113.70 110.43 2ksh s SER 56 Ca 0.05 -1.00 0.09 0.00 0.70 0.00 0.00 55.95 55.79 2ksh s SER 56 Cb -0.20 0.65 0.26 0.00 -1.71 0.00 0.00 66.02 65.02 2ksh s SER 56 CO 0.09 -1.27 1.22 -0.67 1.20 0.00 0.00 173.24 173.81 2ksh n ASP 57 N -0.69 2.79 -4.44 5.45 -0.08 -1.26 -4.21 116.55 114.11 2ksh n ASP 57 Ca -0.02 -2.03 -0.33 0.00 -1.51 0.00 0.00 54.79 50.90 2ksh n ASP 57 Cb 0.61 -0.20 0.13 0.00 2.34 0.00 0.00 41.12 44.00 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 0.30 -1.86 -4.78 1.67 2.03 -1.26 -4.95 116.55 107.70 2ksh n ASP 58 Ca 0.10 0.32 -0.39 0.00 0.52 0.00 0.00 54.79 55.34 2ksh n ASP 58 Cb 0.41 -1.23 -0.06 0.00 -0.72 0.00 0.00 41.12 39.53 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 -2.42 3.49 0.33 -1.67 0.00 -1.26 -4.92 121.76 115.31 2ksh s ALA 59 Ca 0.58 0.21 0.08 0.00 0.00 0.00 0.00 51.96 52.83 2ksh s ALA 59 Cb -0.21 -2.84 -0.06 0.00 0.00 0.00 0.00 23.12 20.01 2ksh s ALA 59 CO 0.66 0.28 -0.05 0.00 0.00 0.00 0.00 175.76 176.66 2ksh s ALA 60 N -0.89 2.73 0.57 0.00 0.00 -1.26 -4.99 121.76 117.91 2ksh s ALA 60 Ca 0.33 -2.06 0.26 0.00 0.00 0.00 0.00 51.96 50.50 2ksh s ALA 60 Cb -0.21 0.13 1.55 0.00 0.00 0.00 0.00 23.12 24.59 2ksh s ALA 60 CO 0.23 -0.04 2.09 0.93 0.00 0.00 0.00 175.76 178.97 2ksh h GLU 61 N 2.08 0.00 -2.95 0.00 4.39 -0.94 -3.44 114.58 113.73 2ksh h GLU 61 Ca -0.41 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.23 2ksh h GLU 61 Cb 1.24 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.74 2ksh h GLU 61 CO 0.71 0.00 0.04 0.00 -1.16 0.00 0.00 179.01 178.60 2ksh s ALA 62 N -4.77 -1.28 -0.11 3.43 0.00 -1.25 -3.03 121.76 114.75 2ksh s ALA 62 Ca -0.05 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.37 2ksh s ALA 62 Cb 0.16 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.83 2ksh s ALA 62 CO 0.60 -0.58 -0.19 0.99 0.00 0.00 0.00 175.76 176.58 2ksh s THR 63 N -2.95 1.77 -0.31 0.00 2.01 -0.88 -2.16 115.64 113.11 2ksh s THR 63 Ca -0.02 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.15 2ksh s THR 63 Cb -0.00 -1.58 0.06 0.00 0.01 0.00 0.00 72.50 70.99 2ksh s THR 63 CO -0.06 0.49 0.02 -0.76 -0.69 0.00 0.00 174.62 173.62 2ksh s LEU 64 N 0.79 4.05 -0.18 4.42 1.02 -0.36 -0.07 118.68 128.35 2ksh s LEU 64 Ca -0.09 -1.39 -0.05 0.00 0.02 0.00 0.00 54.13 52.62 2ksh s LEU 64 Cb -0.16 -1.72 -0.03 0.00 0.02 0.00 0.00 46.19 44.31 2ksh s LEU 64 CO 0.01 -0.29 -0.01 -0.89 0.02 0.00 0.00 176.35 175.19 2ksh s THR 65 N 1.22 4.04 0.12 5.49 2.01 -0.33 -0.39 115.64 127.81 2ksh s THR 65 Ca -0.03 -0.29 -0.24 0.00 0.31 0.00 0.00 61.69 61.43 2ksh s THR 65 Cb -0.20 -2.80 0.07 0.00 0.01 0.00 0.00 72.50 69.58 2ksh s THR 65 CO -0.02 0.46 0.63 0.00 -0.69 0.00 0.00 174.62 175.01 2ksh s MET 66 N 0.63 1.22 0.66 4.92 0.23 -0.85 -1.10 119.30 125.01 2ksh s MET 66 Ca -0.01 -0.38 -0.15 0.00 -1.03 0.00 0.00 55.69 54.12 2ksh s MET 66 Cb -0.14 0.56 -0.00 0.00 -1.53 0.00 0.00 34.83 33.72 2ksh s MET 66 CO 0.02 -0.52 1.11 -1.21 -2.03 0.00 0.00 175.02 172.39 2ksh s GLU 67 N -3.44 2.83 0.22 3.16 0.41 -1.26 -3.20 118.70 117.42 2ksh s GLU 67 Ca 0.00 1.38 -0.08 0.00 -0.41 0.00 0.00 54.97 55.86 2ksh s GLU 67 Cb -0.01 -1.95 0.34 0.00 -1.78 0.00 0.00 34.13 30.72 2ksh s GLU 67 CO -0.10 -1.23 1.74 0.22 -0.49 0.00 0.00 175.26 175.40 2ksh h ASP 68 N 0.04 0.27 -0.21 -0.19 3.58 -1.92 0.30 116.42 118.28 2ksh h ASP 68 Ca -0.47 0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.04 2ksh h ASP 68 Cb 1.24 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.34 2ksh h ASP 68 CO 0.54 0.14 0.05 -0.78 -2.88 0.00 0.00 179.24 176.31 2ksh h ASP 69 N 0.44 0.40 0.04 2.28 3.58 -1.92 -1.93 116.42 119.31 2ksh h ASP 69 Ca 0.34 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.74 2ksh h ASP 69 Cb 0.45 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.39 2ksh h ASP 69 CO -0.33 0.43 -0.02 0.40 -2.88 0.00 0.00 179.24 176.85 2ksh h ILE 70 N 0.43 1.37 -0.93 2.25 5.03 -1.32 -2.93 117.51 121.42 2ksh h ILE 70 Ca 0.10 -1.64 0.16 0.00 -0.12 0.00 0.00 64.86 63.36 2ksh h ILE 70 Cb 0.21 2.41 -0.08 0.00 -3.03 0.00 0.00 36.82 36.34 2ksh h ILE 70 CO 0.00 0.40 0.59 -0.03 -0.68 0.00 0.00 178.15 178.43 2ksh h MET 71 N -0.81 0.66 -0.51 2.37 1.85 -0.42 -0.24 114.93 117.84 2ksh h MET 71 Ca -0.00 -0.04 -0.10 0.00 -0.61 0.00 0.00 59.70 58.95 2ksh h MET 71 Cb 0.69 -0.15 -0.02 0.00 0.43 0.00 0.00 31.60 32.55 2ksh h MET 71 CO 0.01 0.44 -0.07 0.35 -0.40 0.00 0.00 176.91 177.24 2ksh h PHE 72 N 0.68 1.06 -0.12 1.39 3.57 -1.41 0.36 116.94 122.47 2ksh h PHE 72 Ca 0.48 -0.21 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 2ksh h PHE 72 Cb 0.82 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 2ksh h PHE 72 CO -0.00 0.99 0.07 0.00 -2.23 0.00 0.00 178.31 177.14 2ksh h ALA 73 N 0.92 0.15 0.00 2.41 0.00 -0.87 0.34 119.26 122.20 2ksh h ALA 73 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2ksh h ALA 73 Cb 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2ksh h ALA 73 CO 0.04 -0.34 0.00 0.82 0.00 0.00 0.00 179.25 179.77 2ksh h ILE 74 N 0.13 0.00 0.14 0.00 2.04 -1.31 0.54 117.51 119.05 2ksh h ILE 74 Ca 0.04 -0.73 -0.32 0.00 1.00 0.00 0.00 64.86 64.85 2ksh h ILE 74 Cb 0.03 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2ksh h ILE 74 CO -0.01 0.00 -1.59 1.23 0.00 0.00 0.00 178.15 177.78 2ksh h GLY 75 N 4.01 0.35 0.90 5.37 0.00 0.19 -3.33 103.07 110.55 2ksh h GLY 75 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 47.33 46.43 2ksh h GLY 75 CO 0.00 0.78 -0.64 -1.30 0.00 0.00 0.00 176.54 175.39 2ksh n THR 76 N -3.50 0.09 -0.03 4.70 -2.24 0.11 -4.94 114.28 108.47 2ksh n THR 76 Ca -0.19 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2ksh n THR 76 Cb 1.06 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 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 1.45 0.39 0.00 3.38 0.00 -0.73 -5.00 105.19 104.68 2ksh n GLY 77 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.87 -0.20 -2.66 4.61 0.00 0.18 -4.67 120.51 115.89 2ksh n ALA 78 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 2ksh n ALA 78 Cb 0.00 0.22 -0.09 0.00 0.00 0.00 0.00 19.45 19.58 2ksh n ALA 78 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2ksh s LEU 79 N -4.20 3.44 0.28 0.00 0.20 -0.69 -4.98 118.68 112.73 2ksh s LEU 79 Ca 0.00 -0.03 -0.29 0.00 0.69 0.00 0.00 54.13 54.50 2ksh s LEU 79 Cb 0.00 -1.96 -0.10 0.00 -0.43 0.00 0.00 46.19 43.71 2ksh s LEU 79 CO 0.00 0.29 1.25 -2.16 -0.29 0.00 0.00 176.35 175.44 2ksh s PRO 80 N -1.47 4.44 0.58 0.98 0.04 -1.26 -3.26 135.00 135.05 2ksh s PRO 80 Ca 0.18 2.05 0.28 0.00 0.04 0.00 0.00 61.00 63.56 2ksh s PRO 80 Cb -0.11 -3.14 1.57 0.00 0.04 0.00 0.00 34.50 32.85 2ksh s PRO 80 CO 0.09 -0.09 2.05 0.00 0.04 0.00 0.00 177.00 179.09 2ksh h ALA 81 N 4.07 1.98 0.52 8.56 0.00 -1.94 -2.29 119.26 130.16 2ksh h ALA 81 Ca -0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 2ksh h ALA 81 Cb 1.22 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.03 2ksh h ALA 81 CO 0.69 -0.41 -0.25 -0.22 0.00 0.00 0.00 179.25 179.06 2ksh h LYS 82 N 0.00 -0.67 -0.08 0.00 1.63 -1.98 -2.23 116.57 113.24 2ksh h LYS 82 Ca 0.13 0.05 0.04 0.00 -0.85 0.00 0.00 60.65 60.01 2ksh h LYS 82 Cb 0.67 0.15 -0.05 0.00 -0.60 0.00 0.00 32.23 32.40 2ksh h LYS 82 CO -0.00 -0.36 -0.23 0.93 -3.45 0.00 0.00 179.45 176.34 2ksh h GLU 83 N -1.02 -0.31 -0.86 1.90 4.39 -1.82 0.30 114.58 117.17 2ksh h GLU 83 Ca -0.07 0.02 0.17 0.00 0.34 0.00 0.00 59.36 59.82 2ksh h GLU 83 Cb 0.61 0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 29.23 2ksh h GLU 83 CO 0.12 -0.20 0.42 0.00 -1.16 0.00 0.00 179.01 178.18 2ksh h ALA 84 N 0.61 1.32 0.00 3.43 0.00 -1.53 0.40 119.26 123.49 2ksh h ALA 84 Ca 0.08 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 2ksh h ALA 84 Cb 0.44 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2ksh h ALA 84 CO -0.26 -0.18 -0.60 1.98 0.00 0.00 0.00 179.25 180.19 2ksh h MET 85 N 0.54 0.00 0.00 0.00 4.05 -0.67 -0.91 114.93 117.94 2ksh h MET 85 Ca 0.49 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.79 2ksh h MET 85 Cb 0.79 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.57 2ksh h MET 85 CO -0.42 0.60 -0.59 0.00 0.23 0.00 0.00 176.91 176.73 2ksh h ALA 86 N 1.40 0.72 -0.36 0.39 0.00 0.27 -3.05 119.26 118.63 2ksh h ALA 86 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2ksh h ALA 86 Cb 1.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2ksh h ALA 86 CO 0.08 0.74 0.00 1.04 0.00 0.00 0.00 179.25 181.10 2ksh n GLN 87 N -3.39 2.08 -1.52 0.00 6.02 0.11 -4.87 117.38 115.80 2ksh n GLN 87 Ca 0.01 -1.39 -0.18 0.00 -0.01 0.00 0.00 57.00 55.43 2ksh n GLN 87 Cb 0.71 -1.41 -0.08 0.00 1.02 0.00 0.00 30.24 30.49 2ksh n GLN 87 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2ksh n ASP 88 N 0.54 -5.56 -0.17 1.08 8.00 -1.15 -4.81 116.55 114.48 2ksh n ASP 88 Ca 0.13 0.44 0.14 0.00 0.71 0.00 0.00 54.79 56.21 2ksh n ASP 88 Cb 0.39 -4.63 0.65 0.00 -0.02 0.00 0.00 41.12 37.51 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 -1.94 0.94 -3.53 -1.24 5.02 -0.36 -4.87 118.16 112.19 2ksh n LYS 89 Ca -0.18 -0.34 -0.16 0.00 -2.02 0.00 0.00 58.31 55.61 2ksh n LYS 89 Cb 0.65 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 34.12 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 -2.29 0.95 0.20 1.97 0.23 -1.14 -4.24 119.30 114.98 2ksh s MET 90 Ca 0.34 0.18 0.04 0.00 -1.03 0.00 0.00 55.69 55.22 2ksh s MET 90 Cb 0.21 0.45 -0.05 0.00 -1.53 0.00 0.00 34.83 33.90 2ksh s MET 90 CO 0.43 -0.31 -0.04 -2.00 -2.03 0.00 0.00 175.02 171.07 2ksh s GLU 91 N -1.35 1.24 -0.10 3.16 2.12 -0.26 -4.49 118.70 119.03 2ksh s GLU 91 Ca -0.08 -1.59 -0.18 0.00 0.36 0.00 0.00 54.97 53.48 2ksh s GLU 91 Cb -0.00 -0.61 0.04 0.00 0.26 0.00 0.00 34.13 33.82 2ksh s GLU 91 CO 0.06 -0.04 0.44 0.54 -0.54 0.00 0.00 175.26 175.73 2ksh s VAL 92 N -3.39 0.02 0.39 3.70 0.11 -1.26 -1.19 120.40 118.78 2ksh s VAL 92 Ca 0.24 -0.17 0.02 0.00 -2.93 0.00 0.00 61.98 59.15 2ksh s VAL 92 Cb 0.05 -0.69 -0.01 0.00 -1.53 0.00 0.00 36.38 34.20 2ksh s VAL 92 CO 0.06 -0.09 0.09 -0.67 -3.33 0.00 0.00 175.10 171.15 2ksh n ASP 93 N 1.95 1.89 0.00 3.54 -0.08 0.90 -4.96 116.55 119.80 2ksh n ASP 93 Ca -0.17 -2.95 0.00 0.00 -1.51 0.00 0.00 54.79 50.16 2ksh n ASP 93 Cb 0.57 0.72 0.00 0.00 2.34 0.00 0.00 41.12 44.74 2ksh n ASP 93 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ksh n GLY 94 N -0.44 0.83 3.43 0.27 0.00 -1.26 -2.08 105.19 105.94 2ksh n GLY 94 Ca -0.10 -1.24 -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 3.10 0.29 1.61 -1.52 -1.17 -4.94 119.66 117.03 2ksh s GLN 95 Ca 0.00 -1.01 0.01 0.00 -1.95 0.00 0.00 55.36 52.41 2ksh s GLN 95 Cb 0.00 -4.14 0.69 0.00 -0.22 0.00 0.00 33.01 29.35 2ksh s GLN 95 CO 0.00 -1.28 1.63 0.28 -0.25 0.00 0.00 175.29 175.67 2ksh h VAL 96 N 5.87 0.27 0.59 1.09 2.07 -1.95 -0.14 116.25 124.05 2ksh h VAL 96 Ca -0.28 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 2ksh h VAL 96 Cb 1.09 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2ksh h VAL 96 CO 0.99 0.03 -0.30 -0.08 0.02 0.00 0.00 177.57 178.22 2ksh h GLU 97 N 0.16 -0.79 -0.92 1.57 4.22 -1.99 -1.54 114.58 115.28 2ksh h GLU 97 Ca 0.55 0.05 0.19 0.00 0.08 0.00 0.00 59.36 60.23 2ksh h GLU 97 Cb 1.10 0.18 -0.08 0.00 0.50 0.00 0.00 28.75 30.46 2ksh h GLU 97 CO -0.70 -0.53 0.60 -0.07 -2.18 0.00 0.00 179.01 176.13 2ksh h LEU 98 N -0.82 0.55 0.23 1.64 3.38 -1.52 0.20 115.31 118.97 2ksh h LEU 98 Ca -0.08 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2ksh h LEU 98 Cb 0.64 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2ksh h LEU 98 CO 0.11 0.23 -0.11 0.40 0.09 0.00 0.00 178.44 179.16 2ksh h ILE 99 N 0.55 0.83 0.00 1.22 2.04 -0.67 -2.89 117.51 118.60 2ksh h ILE 99 Ca 0.49 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 2ksh h ILE 99 Cb 1.00 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 2ksh h ILE 99 CO -0.23 0.10 -0.07 -0.26 0.00 0.00 0.00 178.15 177.69 2ksh h PHE 100 N -0.56 0.00 0.00 1.37 -1.00 -0.37 -0.81 116.94 115.57 2ksh h PHE 100 Ca -0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.75 2ksh h PHE 100 Cb 0.41 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.97 2ksh h PHE 100 CO 0.00 0.07 0.00 1.28 -1.61 0.00 0.00 178.31 178.06 2ksh n LEU 101 N -4.13 0.62 -0.00 1.54 7.99 -0.03 -2.00 117.00 120.99 2ksh n LEU 101 Ca -0.03 0.72 -0.17 0.00 -0.01 0.00 0.00 56.01 56.53 2ksh n LEU 101 Cb 0.16 -0.72 -0.14 0.00 -0.11 0.00 0.00 43.42 42.61 2ksh n LEU 101 CO 0.32 -0.78 -0.71 0.18 -1.51 0.00 0.00 177.39 174.89 2ksh n LEU 102 N -2.26 2.04 -0.34 2.23 4.77 -0.31 -3.86 117.00 119.26 2ksh n LEU 102 Ca 0.00 0.28 -0.07 0.00 -0.03 0.00 0.00 56.01 56.20 2ksh n LEU 102 Cb 0.12 -0.68 -0.05 0.00 -2.33 0.00 0.00 43.42 40.48 2ksh n LEU 102 CO 0.14 0.70 0.43 -0.62 -1.33 0.00 0.00 177.39 176.71 2ksh n GLU 103 N -3.34 -0.32 0.12 3.23 1.02 -0.85 0.76 120.64 121.27 2ksh n GLU 103 Ca -0.27 1.28 -0.01 0.00 -0.02 0.00 0.00 57.16 58.14 2ksh n GLU 103 Cb 1.05 -1.88 0.23 0.00 -0.02 0.00 0.00 31.44 30.81 2ksh n GLU 103 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2ksh h PRO 104 N 0.00 0.13 -0.05 3.49 0.13 -1.76 -2.91 132.00 131.04 2ksh h PRO 104 Ca 0.18 -0.07 0.01 0.00 -0.87 0.00 0.00 66.00 65.25 2ksh h PRO 104 Cb 0.39 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.52 2ksh h PRO 104 CO -0.80 0.59 0.05 0.35 -0.23 0.00 0.00 178.00 177.95 2ksh h PHE 105 N 0.11 0.00 -0.31 1.56 3.57 0.24 -1.21 116.94 120.89 2ksh h PHE 105 Ca 0.00 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 2ksh h PHE 105 Cb 0.89 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 2ksh h PHE 105 CO 0.01 0.00 0.26 0.82 -2.23 0.00 0.00 178.31 177.17 2ksh h ILE 106 N 0.00 0.66 0.00 1.41 2.04 -1.01 0.10 117.51 120.71 2ksh h ILE 106 Ca 0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 2ksh h ILE 106 Cb 0.11 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2ksh h ILE 106 CO -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 178.15 178.00 2ksh h ALA 107 N 1.77 1.50 0.14 1.87 0.00 -1.42 -2.91 119.26 120.22 2ksh h ALA 107 Ca 0.15 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 2ksh h ALA 107 Cb 0.66 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.45 2ksh h ALA 107 CO -0.00 0.19 -0.88 1.03 0.00 0.00 0.00 179.25 179.59 2ksh h SER 108 N 0.00 0.47 -0.13 0.00 0.87 -0.97 -3.35 113.55 110.45 2ksh h SER 108 Ca -0.00 -0.95 -0.63 0.00 -1.23 0.00 0.00 61.79 58.98 2ksh h SER 108 Cb 0.32 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2ksh h SER 108 CO 0.02 1.42 3.28 0.18 -0.53 0.00 0.00 176.83 181.20 2ksh n LEU 109 N -4.10 8.36 0.00 2.23 4.77 -1.10 -5.04 117.00 122.12 2ksh n LEU 109 Ca -0.15 -4.31 0.00 0.00 -0.03 0.00 0.00 56.01 51.53 2ksh n LEU 109 Cb 0.84 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 2ksh n LEU 109 CO 0.48 2.04 0.00 1.17 -1.33 0.00 0.00 177.39 179.75