#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1djs n ASN 7 N 0.00 0.85 0.07 1.61 5.15 -1.26 -4.92 115.26 116.76 1djs n ASN 7 Ca 0.00 0.59 0.00 0.00 -0.60 0.00 0.00 54.58 54.58 1djs n ASN 7 Cb 0.00 -1.48 0.32 0.00 -0.53 0.00 0.00 39.78 38.08 1djs n ASN 7 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 1djs h TYR 8 N -0.81 0.37 -0.02 1.20 -0.00 -2.02 -3.40 116.97 112.30 1djs h TYR 8 Ca -0.46 -0.05 0.00 0.00 -0.00 0.00 0.00 58.73 58.22 1djs h TYR 8 Cb 1.30 -0.10 -0.00 0.00 -0.00 0.00 0.00 36.73 37.93 1djs h TYR 8 CO 0.45 0.49 -0.01 1.63 -0.00 0.00 0.00 178.16 180.72 1djs n LYS 9 N -4.22 -0.01 -1.08 0.10 5.02 -1.26 -4.75 118.16 111.96 1djs n LYS 9 Ca -0.00 0.98 -0.31 0.00 -2.02 0.00 0.00 58.31 56.97 1djs n LYS 9 Cb 0.31 -1.48 0.12 0.00 -0.02 0.00 0.00 35.03 33.97 1djs n LYS 9 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1djs s LYS 10 N -3.06 1.70 0.67 1.97 1.02 -1.26 -4.92 119.74 115.86 1djs s LYS 10 Ca -0.00 1.22 -0.17 0.00 0.02 0.00 0.00 55.97 57.03 1djs s LYS 10 Cb 0.00 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.48 1djs s LYS 10 CO 0.01 -2.05 1.27 -2.30 -0.92 0.00 0.00 175.35 171.36 1djs n PRO 11 N -3.80 0.98 -4.17 -1.68 -0.02 -1.26 -4.82 135.00 120.22 1djs n PRO 11 Ca 0.09 0.39 -0.12 0.00 -2.02 0.00 0.00 63.50 61.85 1djs n PRO 11 Cb 0.53 -2.50 -0.09 0.00 -0.02 0.00 0.00 33.50 31.42 1djs n PRO 11 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1djs s LYS 12 N -3.44 1.30 -0.07 -0.52 -2.85 0.85 -4.45 119.74 110.56 1djs s LYS 12 Ca 0.81 -1.60 -0.08 0.00 -1.00 0.00 0.00 55.97 54.10 1djs s LYS 12 Cb -0.37 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 35.66 1djs s LYS 12 CO 0.42 -0.45 0.21 -0.51 0.10 0.00 0.00 175.35 175.12 1djs s LEU 13 N -3.15 4.40 -0.40 2.77 1.43 0.26 -1.39 118.68 122.59 1djs s LEU 13 Ca 0.37 0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 53.93 1djs s LEU 13 Cb 0.05 -2.31 0.07 0.00 0.03 0.00 0.00 46.19 44.04 1djs s LEU 13 CO 0.13 0.36 0.23 -0.76 0.23 0.00 0.00 176.35 176.53 1djs s LEU 14 N -1.25 5.01 -0.31 1.79 1.43 -1.26 -1.06 118.68 123.02 1djs s LEU 14 Ca 0.20 -1.47 -0.18 0.00 -1.03 0.00 0.00 54.13 51.65 1djs s LEU 14 Cb -0.13 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 1djs s LEU 14 CO 0.09 -0.50 0.50 -0.47 0.23 0.00 0.00 176.35 176.20 1djs s TYR 15 N 1.40 3.22 -0.04 0.29 5.04 -0.69 -0.79 117.35 125.78 1djs s TYR 15 Ca 0.03 0.39 -0.26 0.00 -2.44 0.00 0.00 57.07 54.78 1djs s TYR 15 Cb -0.22 -2.80 -0.03 0.00 0.35 0.00 0.00 41.96 39.25 1djs s TYR 15 CO 0.02 -0.40 0.82 0.00 -1.34 0.00 0.00 175.55 174.65 1djs h SER 17 N 6.78 0.41 0.00 0.00 0.87 -0.49 -1.81 113.55 119.31 1djs h SER 17 Ca -0.41 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1djs h SER 17 Cb 1.21 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1djs h SER 17 CO 0.75 0.27 0.00 -3.20 -0.53 0.00 0.00 176.83 174.13 1djs n ASN 18 N -4.47 0.00 -0.43 6.23 2.85 -1.22 -4.10 115.26 114.12 1djs n ASN 18 Ca 0.07 0.87 0.05 0.00 -0.11 0.00 0.00 54.58 55.46 1djs n ASN 18 Cb 0.23 -0.37 0.05 0.00 1.24 0.00 0.00 39.78 40.92 1djs n ASN 18 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1djs n GLY 19 N -0.93 -0.31 1.45 8.20 0.00 -1.25 -4.86 105.19 107.49 1djs n GLY 19 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1djs n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djs n GLY 20 N 0.60 0.88 3.78 -0.02 0.00 -0.68 -5.06 105.19 104.69 1djs n GLY 20 Ca 0.06 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 1djs n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1djs s HIS 21 N -2.75 3.30 0.01 1.61 3.76 -1.21 -4.65 115.29 115.35 1djs s HIS 21 Ca 0.00 0.23 -0.23 0.00 -0.15 0.00 0.00 55.06 54.91 1djs s HIS 21 Cb 0.00 -1.76 -0.05 0.00 1.11 0.00 0.00 32.58 31.88 1djs s HIS 21 CO 0.00 0.56 0.68 -0.06 -0.85 0.00 0.00 174.74 175.07 1djs s PHE 22 N -1.15 3.69 0.11 1.40 0.08 0.86 -0.58 117.98 122.39 1djs s PHE 22 Ca 0.21 1.32 -0.31 0.00 0.12 0.00 0.00 56.93 58.28 1djs s PHE 22 Cb -0.12 -2.72 -0.10 0.00 -0.57 0.00 0.00 43.02 39.51 1djs s PHE 22 CO 0.12 0.29 1.81 -1.17 -0.10 0.00 0.00 175.22 176.17 1djs s LEU 23 N -0.03 4.40 -0.06 -0.37 2.96 0.03 -1.97 118.68 123.64 1djs s LEU 23 Ca 0.35 2.71 0.04 0.00 -0.22 0.00 0.00 54.13 57.01 1djs s LEU 23 Cb -0.19 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 42.93 1djs s LEU 23 CO 0.20 -0.99 -0.19 -0.60 -1.32 0.00 0.00 176.35 173.45 1djs s ARG 24 N 2.85 2.09 -0.38 1.98 3.52 0.05 -4.48 118.95 124.58 1djs s ARG 24 Ca 0.80 -0.67 -0.04 0.00 -0.13 0.00 0.00 55.73 55.69 1djs s ARG 24 Cb -0.45 -1.75 0.08 0.00 -1.56 0.00 0.00 34.95 31.28 1djs s ARG 24 CO 0.36 0.23 0.16 0.42 -0.81 0.00 0.00 175.30 175.65 1djs s ILE 25 N 0.14 3.47 0.54 4.11 1.01 -0.97 -1.71 121.20 127.79 1djs s ILE 25 Ca -0.08 -1.65 -0.17 0.00 0.00 0.00 0.00 60.65 58.75 1djs s ILE 25 Cb -0.13 -3.18 -0.06 0.00 0.01 0.00 0.00 42.46 39.09 1djs s ILE 25 CO 0.04 -0.45 1.03 -0.76 0.00 0.00 0.00 174.94 174.79 1djs s LEU 26 N 1.26 3.64 0.54 2.97 1.43 -0.35 -4.82 118.68 123.34 1djs s LEU 26 Ca 0.03 1.78 0.31 0.00 -1.03 0.00 0.00 54.13 55.22 1djs s LEU 26 Cb -0.22 -4.53 1.48 0.00 0.03 0.00 0.00 46.19 42.95 1djs s LEU 26 CO -0.01 -0.89 1.90 -0.65 0.23 0.00 0.00 176.35 176.92 1djs h PRO 27 N 0.90 0.00 -0.10 1.29 0.11 -1.98 0.35 132.00 132.56 1djs h PRO 27 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1djs h PRO 27 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1djs h PRO 27 CO 0.59 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 1djs n ASP 28 N -4.25 1.02 0.00 -2.05 3.85 -1.26 -4.91 116.55 108.94 1djs n ASP 28 Ca 0.18 -1.60 0.00 0.00 -0.71 0.00 0.00 54.79 52.65 1djs n ASP 28 Cb 0.93 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 40.64 1djs n ASP 28 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1djs n GLY 29 N 0.99 0.66 3.90 6.12 0.00 0.11 -5.01 105.19 111.97 1djs n GLY 29 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1djs n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1djs s THR 30 N -2.32 5.08 -0.10 2.61 -4.23 -1.25 -0.28 115.64 115.15 1djs s THR 30 Ca 0.00 0.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.57 1djs s THR 30 Cb 0.00 -3.68 -0.02 0.00 1.34 0.00 0.00 72.50 70.14 1djs s THR 30 CO 0.00 -0.15 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.09 1djs s VAL 31 N -1.88 2.90 0.00 2.29 1.01 -1.26 -1.22 120.40 122.25 1djs s VAL 31 Ca 0.43 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1djs s VAL 31 Cb -0.11 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1djs s VAL 31 CO 0.27 0.55 0.00 -0.90 0.00 0.00 0.00 175.10 175.01 1djs n ASP 32 N 3.16 0.00 -3.93 3.32 5.75 -0.69 -4.27 116.55 119.89 1djs n ASP 32 Ca -0.18 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.49 1djs n ASP 32 Cb 0.53 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.49 1djs n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1djs s GLY 33 N 0.00 0.14 0.09 6.12 0.00 0.16 -0.77 107.32 113.05 1djs s GLY 33 Ca 0.00 -0.29 0.05 0.00 0.00 0.00 0.00 44.72 44.47 1djs s GLY 33 CO 0.00 -0.32 -0.12 -1.08 0.00 0.00 0.00 173.10 171.58 1djs s THR 34 N -0.68 1.06 -0.46 0.90 -1.32 -0.83 -4.77 115.64 109.53 1djs s THR 34 Ca -0.07 -1.53 0.23 0.00 -1.21 0.00 0.00 61.69 59.10 1djs s THR 34 Cb -0.05 -1.28 -0.04 0.00 -1.51 0.00 0.00 72.50 69.62 1djs s THR 34 CO -0.00 -0.42 1.09 0.54 -2.21 0.00 0.00 174.62 173.61 1djs n ARG 35 N 0.80 0.41 -2.08 7.08 1.74 -1.26 -0.10 116.66 123.26 1djs n ARG 35 Ca -0.18 0.05 -0.43 0.00 -0.77 0.00 0.00 57.85 56.53 1djs n ARG 35 Cb 0.56 -1.69 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 1djs n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1djs s ASP 36 N -4.52 6.21 0.23 0.55 2.15 -1.26 -4.86 116.67 115.17 1djs s ASP 36 Ca 0.02 1.49 0.25 0.00 0.43 0.00 0.00 52.55 54.75 1djs s ASP 36 Cb 0.12 -2.53 0.86 0.00 -0.30 0.00 0.00 42.92 41.08 1djs s ASP 36 CO 0.78 -1.42 1.76 -1.14 -0.17 0.00 0.00 175.17 174.98 1djs n ARG 37 N 7.95 0.25 0.00 4.34 0.63 -1.26 -2.99 116.66 125.57 1djs n ARG 37 Ca 0.20 0.28 0.12 0.00 -0.92 0.00 0.00 57.85 57.53 1djs n ARG 37 Cb 0.46 -1.83 0.27 0.00 0.45 0.00 0.00 32.46 31.81 1djs n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1djs n SER 38 N -2.27 0.90 -4.67 6.15 3.41 -1.26 -4.91 113.62 110.98 1djs n SER 38 Ca 0.05 -0.71 -0.46 0.00 -0.26 0.00 0.00 58.87 57.49 1djs n SER 38 Cb 0.37 0.26 -0.04 0.00 -0.26 0.00 0.00 64.21 64.54 1djs n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1djs n ASP 39 N -0.97 2.98 0.00 4.04 2.03 -1.16 -4.88 116.55 118.58 1djs n ASP 39 Ca 0.09 1.10 0.14 0.00 0.52 0.00 0.00 54.79 56.64 1djs n ASP 39 Cb 0.35 -1.42 0.80 0.00 -0.72 0.00 0.00 41.12 40.13 1djs n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1djs n GLN 40 N 3.05 0.69 -0.42 -0.67 10.64 -1.26 -3.58 117.38 125.83 1djs n GLN 40 Ca 0.16 0.01 0.09 0.00 -1.83 0.00 0.00 57.00 55.43 1djs n GLN 40 Cb 0.29 -1.50 0.29 0.00 -0.86 0.00 0.00 30.24 28.46 1djs n GLN 40 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1djs n HIS 41 N -1.12 1.04 0.59 2.61 8.25 -1.26 -4.30 115.22 121.03 1djs n HIS 41 Ca 0.18 -0.58 0.07 0.00 -0.26 0.00 0.00 57.72 57.13 1djs n HIS 41 Cb 0.15 -0.13 0.03 0.00 1.12 0.00 0.00 29.99 31.16 1djs n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1djs n ILE 42 N 0.98 0.00 -2.78 1.59 -5.35 -1.23 -2.28 119.36 110.29 1djs n ILE 42 Ca 0.22 -0.42 -0.43 0.00 -0.27 0.00 0.00 62.75 61.84 1djs n ILE 42 Cb 0.70 1.22 -0.04 0.00 -1.74 0.00 0.00 39.64 39.78 1djs n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1djs s GLN 43 N -1.44 3.64 -0.10 6.28 -0.21 -1.26 -4.47 119.66 122.10 1djs s GLN 43 Ca 0.13 0.34 0.01 0.00 0.02 0.00 0.00 55.36 55.87 1djs s GLN 43 Cb 0.11 -3.89 -0.02 0.00 1.00 0.00 0.00 33.01 30.21 1djs s GLN 43 CO 0.26 -1.18 -0.14 -0.51 -2.12 0.00 0.00 175.29 171.60 1djs s LEU 44 N 3.80 2.68 -0.24 2.90 1.43 -0.49 -1.84 118.68 126.92 1djs s LEU 44 Ca 0.39 -0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 53.11 1djs s LEU 44 Cb -0.10 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 1djs s LEU 44 CO 0.25 0.22 0.10 -1.58 0.23 0.00 0.00 176.35 175.57 1djs s GLN 45 N 0.03 3.83 0.14 1.70 2.00 0.24 -0.11 119.66 127.49 1djs s GLN 45 Ca -0.05 -0.40 -0.01 0.00 -2.00 0.00 0.00 55.36 52.90 1djs s GLN 45 Cb -0.14 -3.37 -0.04 0.00 0.80 0.00 0.00 33.01 30.25 1djs s GLN 45 CO 0.04 -0.04 0.33 -0.51 -0.50 0.00 0.00 175.29 174.61 1djs s LEU 46 N 1.26 4.29 0.16 3.68 1.02 -1.26 -0.56 118.68 127.26 1djs s LEU 46 Ca 0.05 0.39 -0.12 0.00 0.02 0.00 0.00 54.13 54.48 1djs s LEU 46 Cb -0.14 -3.13 0.01 0.00 0.02 0.00 0.00 46.19 42.95 1djs s LEU 46 CO 0.04 0.05 0.34 -0.94 0.02 0.00 0.00 176.35 175.86 1djs s SER 47 N -2.79 -0.05 -0.01 2.29 1.04 -0.74 -4.97 113.70 108.47 1djs s SER 47 Ca 0.38 -0.68 -0.01 0.00 0.48 0.00 0.00 55.95 56.11 1djs s SER 47 Cb -0.12 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1djs s SER 47 CO 0.27 -0.90 0.03 0.00 0.98 0.00 0.00 173.24 173.62 1djs s ALA 48 N -3.91 -0.07 -0.13 5.32 0.00 -1.26 -0.06 121.76 121.65 1djs s ALA 48 Ca 0.12 0.04 0.17 0.00 0.00 0.00 0.00 51.96 52.29 1djs s ALA 48 Cb 0.02 -0.03 -0.23 0.00 0.00 0.00 0.00 23.12 22.88 1djs s ALA 48 CO -0.04 -0.03 0.41 0.39 0.00 0.00 0.00 175.76 176.49 1djs n GLU 49 N 2.94 0.66 -3.80 0.00 1.02 -1.26 -5.00 120.64 115.21 1djs n GLU 49 Ca -0.13 0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 56.98 1djs n GLU 49 Cb 0.59 -1.63 -0.05 0.00 -0.02 0.00 0.00 31.44 30.33 1djs n GLU 49 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1djs s SER 50 N -5.50 -0.12 0.12 1.62 1.04 -1.26 -5.11 113.70 104.49 1djs s SER 50 Ca -0.07 -0.59 -0.35 0.00 0.48 0.00 0.00 55.95 55.42 1djs s SER 50 Cb 0.08 0.49 -0.15 0.00 0.10 0.00 0.00 66.02 66.54 1djs s SER 50 CO 0.84 -0.92 1.49 0.52 0.98 0.00 0.00 173.24 176.14 1djs n VAL 51 N -0.25 0.02 -0.83 5.02 0.31 -1.26 -2.44 118.33 118.90 1djs n VAL 51 Ca -0.11 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1djs n VAL 51 Cb 0.63 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 1djs n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1djs n GLY 52 N 3.08 0.51 3.04 2.92 0.00 -1.26 -4.98 105.19 108.49 1djs n GLY 52 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1djs n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1djs s GLU 53 N -0.53 2.41 0.25 1.61 2.02 -1.02 -0.96 118.70 122.47 1djs s GLU 53 Ca 0.00 -0.61 0.12 0.00 0.02 0.00 0.00 54.97 54.50 1djs s GLU 53 Cb 0.00 -2.16 -0.05 0.00 0.10 0.00 0.00 34.13 32.03 1djs s GLU 53 CO 0.00 -0.21 -0.22 0.14 0.02 0.00 0.00 175.26 175.00 1djs s VAL 54 N 1.38 2.43 -0.06 2.63 -7.23 -0.55 -4.02 120.40 114.99 1djs s VAL 54 Ca 0.03 -2.26 -0.01 0.00 -1.81 0.00 0.00 61.98 57.93 1djs s VAL 54 Cb -0.13 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 1djs s VAL 54 CO -0.10 -0.29 0.01 -0.31 -0.31 0.00 0.00 175.10 174.11 1djs s TYR 55 N -2.18 3.15 -0.33 2.82 2.02 0.91 -2.27 117.35 121.48 1djs s TYR 55 Ca 0.26 0.17 -0.00 0.00 -0.37 0.00 0.00 57.07 57.13 1djs s TYR 55 Cb -0.06 -1.75 0.08 0.00 -0.40 0.00 0.00 41.96 39.82 1djs s TYR 55 CO 0.13 0.48 0.04 0.42 -1.57 0.00 0.00 175.55 175.05 1djs s ILE 56 N -0.97 2.79 -0.02 2.71 1.01 -1.26 -1.80 121.20 123.65 1djs s ILE 56 Ca 0.16 -1.78 0.06 0.00 0.00 0.00 0.00 60.65 59.09 1djs s ILE 56 Cb -0.11 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 1djs s ILE 56 CO 0.06 -0.33 -0.20 -0.75 0.00 0.00 0.00 174.94 173.71 1djs s LYS 57 N 1.13 2.26 -0.24 2.79 2.20 0.28 -1.56 119.74 126.60 1djs s LYS 57 Ca 0.01 -0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 54.48 1djs s LYS 57 Cb -0.20 -2.20 0.01 0.00 -1.51 0.00 0.00 37.83 33.93 1djs s LYS 57 CO -0.04 0.58 1.08 0.45 -0.36 0.00 0.00 175.35 177.06 1djs s SER 58 N -0.77 7.05 0.42 1.43 0.15 -0.37 0.81 113.70 122.43 1djs s SER 58 Ca 0.11 1.35 0.16 0.00 0.70 0.00 0.00 55.95 58.27 1djs s SER 58 Cb -0.10 -2.54 0.92 0.00 -1.71 0.00 0.00 66.02 62.59 1djs s SER 58 CO 0.00 -0.72 1.92 0.71 1.20 0.00 0.00 173.24 176.35 1djs h THR 59 N 5.51 1.10 -0.09 6.45 1.35 -1.70 -0.69 112.91 124.84 1djs h THR 59 Ca -0.20 -0.95 -0.04 0.00 -0.55 0.00 0.00 66.41 64.67 1djs h THR 59 Cb 1.07 1.53 -0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1djs h THR 59 CO 0.99 0.26 -0.09 -0.08 -0.25 0.00 0.00 175.52 176.36 1djs h GLU 60 N 0.00 0.22 -0.04 4.72 4.57 -1.78 -3.37 114.58 118.90 1djs h GLU 60 Ca -0.00 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1djs h GLU 60 Cb 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1djs h GLU 60 CO 0.03 0.64 0.00 0.25 -1.18 0.00 0.00 179.01 178.75 1djs n THR 61 N -4.67 1.18 -0.84 0.32 -2.24 -1.19 -5.01 114.28 101.83 1djs n THR 61 Ca -0.07 -1.24 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 1djs n THR 61 Cb 0.32 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1djs n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1djs n GLY 62 N -0.56 0.17 3.86 3.38 0.00 -0.27 -4.97 105.19 106.78 1djs n GLY 62 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1djs n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1djs s GLN 63 N -1.20 3.93 0.16 1.61 -0.21 -1.25 -4.81 119.66 117.88 1djs s GLN 63 Ca 0.00 0.46 -0.01 0.00 0.02 0.00 0.00 55.36 55.83 1djs s GLN 63 Cb 0.00 -2.71 -0.04 0.00 1.00 0.00 0.00 33.01 31.26 1djs s GLN 63 CO 0.00 0.34 0.34 0.71 -2.12 0.00 0.00 175.29 174.56 1djs s TYR 64 N -1.72 3.49 0.20 0.91 1.51 0.72 -1.23 117.35 121.23 1djs s TYR 64 Ca 0.45 0.35 -0.26 0.00 -1.01 0.00 0.00 57.07 56.61 1djs s TYR 64 Cb -0.13 -1.85 -0.08 0.00 -0.11 0.00 0.00 41.96 39.79 1djs s TYR 64 CO 0.20 0.45 0.82 -1.17 -1.11 0.00 0.00 175.55 174.73 1djs s LEU 65 N -3.00 4.55 0.00 -1.29 2.96 -0.60 0.61 118.68 121.91 1djs s LEU 65 Ca 0.38 1.69 0.00 0.00 -0.22 0.00 0.00 54.13 55.98 1djs s LEU 65 Cb -0.12 -3.45 0.00 0.00 0.50 0.00 0.00 46.19 43.12 1djs s LEU 65 CO 0.28 0.16 0.00 0.00 -1.32 0.00 0.00 176.35 175.46 1djs n ALA 66 N 1.38 0.00 -2.36 5.97 0.00 0.03 -4.10 120.51 121.43 1djs n ALA 66 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.26 1djs n ALA 66 Cb 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.85 1djs n ALA 66 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1djs s ASP 68 N 1.40 0.70 0.03 0.00 3.84 0.15 -1.28 116.67 121.51 1djs s ASP 68 Ca 0.00 -1.48 0.03 0.00 -0.00 0.00 0.00 52.55 51.10 1djs s ASP 68 Cb 0.00 0.48 0.17 0.00 -1.38 0.00 0.00 42.92 42.19 1djs s ASP 68 CO 0.00 -0.98 1.11 0.35 -0.00 0.00 0.00 175.17 175.65 1djs n THR 69 N -0.42 1.82 0.04 2.11 -2.24 -1.26 -0.48 114.28 113.86 1djs n THR 69 Ca 0.03 0.50 0.10 0.00 -2.27 0.00 0.00 64.05 62.42 1djs n THR 69 Cb 0.64 -1.49 0.22 0.00 -2.10 0.00 0.00 70.33 67.61 1djs n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1djs n ASP 70 N -1.58 3.41 0.00 3.42 10.43 -1.26 -4.93 116.55 126.04 1djs n ASP 70 Ca 0.00 -1.96 0.00 0.00 2.57 0.00 0.00 54.79 55.40 1djs n ASP 70 Cb 0.02 -0.30 0.00 0.00 1.84 0.00 0.00 41.12 42.68 1djs n ASP 70 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1djs n GLY 71 N 1.32 0.42 3.78 0.44 0.00 0.37 -4.61 105.19 106.90 1djs n GLY 71 Ca 0.19 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 1djs n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1djs s LEU 72 N 0.00 4.30 -0.02 0.99 1.43 -1.24 -1.22 118.68 122.92 1djs s LEU 72 Ca 0.00 0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 53.34 1djs s LEU 72 Cb 0.00 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 1djs s LEU 72 CO 0.00 0.21 0.93 -0.76 0.23 0.00 0.00 176.35 176.96 1djs s LEU 73 N -0.09 4.35 0.12 1.79 1.43 -1.26 0.32 118.68 125.34 1djs s LEU 73 Ca 0.16 1.57 -0.05 0.00 -1.03 0.00 0.00 54.13 54.78 1djs s LEU 73 Cb -0.13 -3.49 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 1djs s LEU 73 CO 0.05 -0.25 0.14 -0.72 0.23 0.00 0.00 176.35 175.79 1djs s TYR 74 N 1.05 0.51 -0.22 0.29 -0.85 -0.40 -4.23 117.35 113.50 1djs s TYR 74 Ca 0.49 -0.93 -0.18 0.00 -0.52 0.00 0.00 57.07 55.93 1djs s TYR 74 Cb -0.20 -0.25 -0.03 0.00 0.38 0.00 0.00 41.96 41.86 1djs s TYR 74 CO 0.26 -0.56 0.53 0.20 -1.52 0.00 0.00 175.55 174.45 1djs s GLY 75 N -2.96 2.00 0.03 5.49 0.00 0.62 -0.79 107.32 111.71 1djs s GLY 75 Ca 0.15 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.43 1djs s GLY 75 CO -0.03 1.14 0.10 -0.45 0.00 0.00 0.00 173.10 173.86 1djs s SER 76 N 1.26 5.76 0.41 1.64 0.15 0.20 -4.81 113.70 118.31 1djs s SER 76 Ca 0.24 0.13 0.24 0.00 0.70 0.00 0.00 55.95 57.25 1djs s SER 76 Cb -0.15 -1.65 0.43 0.00 -1.71 0.00 0.00 66.02 62.93 1djs s SER 76 CO 0.09 0.23 1.64 1.56 1.20 0.00 0.00 173.24 177.97 1djs h GLN 77 N 3.73 0.00 -5.20 5.44 1.08 -1.89 0.21 115.11 118.48 1djs h GLN 77 Ca -0.48 0.00 -0.40 0.00 -1.45 0.00 0.00 58.65 56.32 1djs h GLN 77 Cb 1.17 0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 28.38 1djs h GLN 77 CO 0.65 0.00 -0.78 0.95 -0.95 0.00 0.00 178.83 178.71 1djs s THR 78 N -3.20 1.02 -0.93 -0.54 -4.23 -1.26 -4.88 115.64 101.61 1djs s THR 78 Ca 0.07 -1.12 -0.24 0.00 -1.18 0.00 0.00 61.69 59.22 1djs s THR 78 Cb 0.06 -0.96 0.03 0.00 1.34 0.00 0.00 72.50 72.96 1djs s THR 78 CO 0.66 -0.15 1.52 -2.16 -0.54 0.00 0.00 174.62 173.95 1djs s PRO 79 N -1.44 3.30 0.19 3.99 0.04 -1.26 -4.88 135.00 134.94 1djs s PRO 79 Ca -0.02 -0.74 0.02 0.00 0.04 0.00 0.00 61.00 60.31 1djs s PRO 79 Cb -0.09 -5.05 0.02 0.00 0.04 0.00 0.00 34.50 29.43 1djs s PRO 79 CO 0.02 -2.42 0.19 0.27 0.04 0.00 0.00 177.00 175.09 1djs n ASN 80 N 10.01 1.27 0.31 6.66 2.04 -1.26 -4.96 115.26 129.33 1djs n ASN 80 Ca 0.28 -1.59 0.20 0.00 -0.44 0.00 0.00 54.58 53.02 1djs n ASN 80 Cb 0.50 -0.06 1.05 0.00 -2.53 0.00 0.00 39.78 38.74 1djs n ASN 80 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 1djs h GLU 81 N 0.00 0.00 -0.00 -3.83 4.11 -1.99 -0.98 114.58 111.89 1djs h GLU 81 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.32 1djs h GLU 81 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1djs h GLU 81 CO 0.16 0.00 -0.07 0.39 0.07 0.00 0.00 179.01 179.57 1djs n GLU 82 N -3.29 0.86 0.00 1.06 1.02 -1.26 -3.63 120.64 115.41 1djs n GLU 82 Ca -0.02 -0.27 0.12 0.00 -0.02 0.00 0.00 57.16 56.97 1djs n GLU 82 Cb 0.16 -1.49 0.12 0.00 -0.02 0.00 0.00 31.44 30.21 1djs n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1djs s LEU 84 N -2.58 4.41 -0.10 0.00 2.96 -1.24 -4.44 118.68 117.68 1djs s LEU 84 Ca 0.19 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.96 1djs s LEU 84 Cb 0.18 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 1djs s LEU 84 CO 0.60 -0.52 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.69 1djs s PHE 85 N 2.42 2.98 -0.24 5.38 0.08 -0.96 -0.37 117.98 127.26 1djs s PHE 85 Ca 0.19 -0.11 -0.28 0.00 0.12 0.00 0.00 56.93 56.85 1djs s PHE 85 Cb -0.15 -1.81 0.01 0.00 -0.57 0.00 0.00 43.02 40.49 1djs s PHE 85 CO 0.14 0.19 1.01 -0.51 -0.10 0.00 0.00 175.22 175.95 1djs s LEU 86 N -0.35 4.08 -0.30 -0.37 1.43 0.14 -1.48 118.68 121.83 1djs s LEU 86 Ca 0.05 1.27 -0.18 0.00 -1.03 0.00 0.00 54.13 54.25 1djs s LEU 86 Cb -0.12 -3.47 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 1djs s LEU 86 CO 0.02 -0.67 0.51 -0.70 0.23 0.00 0.00 176.35 175.74 1djs s GLU 87 N 3.19 3.89 -0.08 1.70 2.12 -0.14 -1.92 118.70 127.45 1djs s GLU 87 Ca 0.42 0.11 0.02 0.00 0.36 0.00 0.00 54.97 55.89 1djs s GLU 87 Cb -0.15 -3.72 -0.02 0.00 0.26 0.00 0.00 34.13 30.51 1djs s GLU 87 CO 0.07 -0.47 -0.15 1.03 -0.54 0.00 0.00 175.26 175.20 1djs s ARG 88 N 2.34 2.88 -0.38 4.30 0.52 -0.80 -4.83 118.95 122.98 1djs s ARG 88 Ca 0.20 -0.72 -0.13 0.00 -0.52 0.00 0.00 55.73 54.56 1djs s ARG 88 Cb -0.15 -2.46 0.02 0.00 0.52 0.00 0.00 34.95 32.88 1djs s ARG 88 CO 0.11 0.42 0.24 -0.51 0.02 0.00 0.00 175.30 175.58 1djs s LEU 89 N -0.20 4.83 -0.24 2.53 1.02 -1.26 -1.96 118.68 123.39 1djs s LEU 89 Ca -0.00 -0.91 -0.23 0.00 0.02 0.00 0.00 54.13 53.01 1djs s LEU 89 Cb -0.13 -2.08 -0.01 0.00 0.02 0.00 0.00 46.19 43.99 1djs s LEU 89 CO 0.03 -0.39 0.76 -1.61 0.02 0.00 0.00 176.35 175.16 1djs s GLU 90 N 1.61 4.16 0.00 1.70 0.41 -0.31 -4.93 118.70 121.34 1djs s GLU 90 Ca 0.03 0.82 0.00 0.00 -0.41 0.00 0.00 54.97 55.41 1djs s GLU 90 Cb -0.19 -3.64 0.00 0.00 -1.78 0.00 0.00 34.13 28.52 1djs s GLU 90 CO 0.08 -0.48 0.40 -0.85 -0.49 0.00 0.00 175.26 173.93 1djs n GLU 91 N 5.89 0.00 0.04 1.61 -0.00 -1.26 0.12 120.64 127.03 1djs n GLU 91 Ca 0.04 0.00 0.11 0.00 -0.00 0.00 0.00 57.16 57.31 1djs n GLU 91 Cb 0.48 -1.90 0.46 0.00 -0.00 0.00 0.00 31.44 30.48 1djs n GLU 91 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1djs n ASN 92 N -0.90 0.25 -0.52 -1.84 6.94 -1.26 -4.88 115.26 113.04 1djs n ASN 92 Ca 0.00 0.54 -0.05 0.00 -0.02 0.00 0.00 54.58 55.05 1djs n ASN 92 Cb 0.40 -0.60 -0.01 0.00 -2.36 0.00 0.00 39.78 37.21 1djs n ASN 92 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1djs n HIS 93 N -1.75 -0.14 -4.27 -2.53 8.25 0.31 -5.03 115.22 110.06 1djs n HIS 93 Ca 0.05 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.22 1djs n HIS 93 Cb 0.28 -1.53 -0.10 0.00 1.12 0.00 0.00 29.99 29.75 1djs n HIS 93 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1djs s TYR 94 N -2.24 2.64 0.12 4.41 2.02 -1.13 -4.93 117.35 118.24 1djs s TYR 94 Ca 0.00 -0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.51 1djs s TYR 94 Cb 0.00 -1.34 -0.04 0.00 -0.40 0.00 0.00 41.96 40.18 1djs s TYR 94 CO 0.00 0.46 0.24 -0.80 -1.57 0.00 0.00 175.55 173.88 1djs s ASN 95 N -2.47 6.26 0.04 2.29 0.01 0.52 -1.17 114.94 120.43 1djs s ASN 95 Ca 0.22 0.17 0.05 0.00 -0.71 0.00 0.00 52.86 52.59 1djs s ASN 95 Cb -0.10 -1.88 -0.02 0.00 0.41 0.00 0.00 41.25 39.66 1djs s ASN 95 CO 0.13 0.09 -0.13 0.42 -1.51 0.00 0.00 177.10 176.10 1djs s THR 96 N -1.66 1.03 -0.23 1.60 -4.23 -0.83 -1.26 115.64 110.06 1djs s THR 96 Ca 0.34 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.83 1djs s THR 96 Cb -0.12 -0.95 0.06 0.00 1.34 0.00 0.00 72.50 72.83 1djs s THR 96 CO 0.28 -0.07 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.92 1djs s TYR 97 N -0.94 2.35 -0.20 3.99 1.51 -1.26 -1.91 117.35 120.88 1djs s TYR 97 Ca -0.00 -1.70 -0.08 0.00 -1.01 0.00 0.00 57.07 54.27 1djs s TYR 97 Cb -0.08 -1.56 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1djs s TYR 97 CO 0.01 -0.76 0.08 0.42 -1.11 0.00 0.00 175.55 174.19 1djs s ILE 98 N 1.41 4.85 0.18 2.71 -1.09 -0.81 -0.93 121.20 127.53 1djs s ILE 98 Ca -0.05 -0.01 -0.33 0.00 -2.23 0.00 0.00 60.65 58.03 1djs s ILE 98 Cb -0.19 -3.21 -0.13 0.00 -1.58 0.00 0.00 42.46 37.36 1djs s ILE 98 CO -0.06 0.43 1.61 -0.24 -1.23 0.00 0.00 174.94 175.45 1djs n SER 99 N 3.77 3.35 0.01 3.58 2.88 -0.38 0.24 113.62 127.07 1djs n SER 99 Ca -0.16 1.08 -0.11 0.00 -1.33 0.00 0.00 58.87 58.35 1djs n SER 99 Cb 0.52 -1.47 0.03 0.00 -0.75 0.00 0.00 64.21 62.54 1djs n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1djs h LYS 100 N 6.06 0.55 -0.96 -1.46 3.64 -1.02 -2.18 116.57 121.19 1djs h LYS 100 Ca -0.44 -0.39 0.03 0.00 -1.27 0.00 0.00 60.65 58.58 1djs h LYS 100 Cb 1.24 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 33.07 1djs h LYS 100 CO 0.90 1.00 0.63 -0.22 -2.27 0.00 0.00 179.45 179.50 1djs h LYS 101 N 0.40 1.21 -1.22 1.90 3.64 -1.76 -3.14 116.57 117.61 1djs h LYS 101 Ca -0.01 -0.07 -0.59 0.00 -1.27 0.00 0.00 60.65 58.71 1djs h LYS 101 Cb 1.19 -0.27 -0.41 0.00 -0.41 0.00 0.00 32.23 32.33 1djs h LYS 101 CO 0.12 0.80 -0.60 0.72 -2.27 0.00 0.00 179.45 178.22 1djs n HIS 102 N -4.45 3.12 0.03 1.91 8.25 -1.19 -4.82 115.22 118.07 1djs n HIS 102 Ca 0.12 -2.72 -0.07 0.00 -0.26 0.00 0.00 57.72 54.80 1djs n HIS 102 Cb 0.06 -0.30 0.10 0.00 1.12 0.00 0.00 29.99 30.97 1djs n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1djs h ALA 103 N 2.42 0.82 -0.94 -1.41 0.00 -1.34 -3.04 119.26 115.76 1djs h ALA 103 Ca 0.36 -0.49 0.17 0.00 0.00 0.00 0.00 54.91 54.94 1djs h ALA 103 Cb 1.11 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 1djs h ALA 103 CO 0.88 0.67 0.60 1.05 0.00 0.00 0.00 179.25 182.45 1djs h GLU 104 N 0.35 0.67 -0.29 0.00 9.09 -1.87 0.06 114.58 122.59 1djs h GLU 104 Ca 0.01 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.38 1djs h GLU 104 Cb 1.02 -0.15 0.00 0.00 -1.65 0.00 0.00 28.75 27.97 1djs h GLU 104 CO 0.09 0.44 0.00 1.63 0.05 0.00 0.00 179.01 181.22 1djs n LYS 105 N -4.61 2.06 -3.58 1.06 5.02 -1.16 -4.99 118.16 111.97 1djs n LYS 105 Ca 0.20 -1.60 -0.22 0.00 -2.02 0.00 0.00 58.31 54.66 1djs n LYS 105 Cb 0.53 -1.43 0.08 0.00 -0.02 0.00 0.00 35.03 34.18 1djs n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1djs n ASN 106 N 0.82 -4.71 -4.61 4.39 3.02 0.01 -4.92 115.26 109.26 1djs n ASN 106 Ca 0.17 -0.60 -0.43 0.00 -0.03 0.00 0.00 54.58 53.70 1djs n ASN 106 Cb 0.44 -4.93 -0.03 0.00 -0.61 0.00 0.00 39.78 34.65 1djs n ASN 106 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1djs s TRP 107 N -3.35 3.05 0.02 3.10 0.51 -1.18 -4.74 118.94 116.35 1djs s TRP 107 Ca 0.39 0.80 -0.07 0.00 -2.12 0.00 0.00 56.10 55.11 1djs s TRP 107 Cb -0.17 -3.76 -0.05 0.00 -0.81 0.00 0.00 33.47 28.68 1djs s TRP 107 CO 0.74 -0.88 0.28 -0.06 -0.51 0.00 0.00 176.95 176.52 1djs s PHE 108 N 3.62 3.57 0.11 -1.98 0.40 -1.26 -1.25 117.98 121.19 1djs s PHE 108 Ca 0.40 0.58 -0.31 0.00 -0.60 0.00 0.00 56.93 57.00 1djs s PHE 108 Cb -0.11 -2.00 -0.07 0.00 0.51 0.00 0.00 43.02 41.35 1djs s PHE 108 CO 0.20 0.60 1.33 0.08 0.70 0.00 0.00 175.22 178.13 1djs s VAL 109 N -1.32 3.51 0.02 -0.44 1.01 -0.10 -4.50 120.40 118.57 1djs s VAL 109 Ca 0.28 1.09 -0.19 0.00 0.00 0.00 0.00 61.98 63.17 1djs s VAL 109 Cb -0.13 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.58 1djs s VAL 109 CO 0.17 0.09 0.42 -0.83 0.00 0.00 0.00 175.10 174.95 1djs s GLY 110 N 1.02 -0.29 -0.09 4.51 0.00 -1.26 -4.36 107.32 106.86 1djs s GLY 110 Ca 0.62 0.46 0.01 0.00 0.00 0.00 0.00 44.72 45.82 1djs s GLY 110 CO 0.31 0.20 -0.11 1.08 0.00 0.00 0.00 173.10 174.58 1djs s LEU 111 N -1.70 1.52 0.97 0.66 1.43 -0.29 -1.09 118.68 120.17 1djs s LEU 111 Ca -0.08 -0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 52.58 1djs s LEU 111 Cb -0.02 -0.86 0.17 0.00 0.03 0.00 0.00 46.19 45.51 1djs s LEU 111 CO 0.01 -0.02 1.09 -0.54 0.23 0.00 0.00 176.35 177.13 1djs s LYS 112 N 1.02 0.68 0.64 1.70 1.02 -0.34 -4.50 119.74 119.97 1djs s LYS 112 Ca -0.08 0.64 0.37 0.00 0.02 0.00 0.00 55.97 56.92 1djs s LYS 112 Cb -0.15 -1.76 2.07 0.00 -0.52 0.00 0.00 37.83 37.48 1djs s LYS 112 CO -0.01 -2.59 2.26 0.87 -0.92 0.00 0.00 175.35 174.96 1djs h LYS 113 N -1.79 0.00 -0.00 1.68 1.57 -1.89 -1.29 116.57 114.84 1djs h LYS 113 Ca -0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1djs h LYS 113 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1djs h LYS 113 CO 0.56 0.00 -0.17 0.27 -0.57 0.00 0.00 179.45 179.54 1djs n ASN 114 N -3.38 0.48 0.00 0.86 6.94 -1.26 -4.66 115.26 114.24 1djs n ASN 114 Ca -0.02 -0.42 0.00 0.00 -0.02 0.00 0.00 54.58 54.12 1djs n ASN 114 Cb 0.14 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 1djs n ASN 114 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1djs n GLY 115 N 1.35 0.72 3.91 4.83 0.00 -0.49 -4.98 105.19 110.53 1djs n GLY 115 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1djs n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1djs s SER 116 N -2.78 6.43 0.65 1.61 1.04 -1.26 0.37 113.70 119.77 1djs s SER 116 Ca 0.00 0.54 -0.17 0.00 0.48 0.00 0.00 55.95 56.81 1djs s SER 116 Cb 0.00 -2.07 -0.00 0.00 0.10 0.00 0.00 66.02 64.05 1djs s SER 116 CO 0.00 -0.06 1.19 0.00 0.98 0.00 0.00 173.24 175.36 1djs s LYS 118 N -3.65 3.49 0.01 0.00 1.02 -0.25 -4.63 119.74 115.72 1djs s LYS 118 Ca 0.75 -0.32 -0.06 0.00 0.02 0.00 0.00 55.97 56.36 1djs s LYS 118 Cb -0.29 -2.99 -0.05 0.00 -0.52 0.00 0.00 37.83 33.98 1djs s LYS 118 CO 0.39 0.58 0.25 1.03 -0.92 0.00 0.00 175.35 176.68 1djs s ARG 119 N -2.48 3.55 0.01 1.68 0.52 -1.26 -4.55 118.95 116.43 1djs s ARG 119 Ca 0.36 -0.12 -0.03 0.00 -0.52 0.00 0.00 55.73 55.42 1djs s ARG 119 Cb -0.13 -3.08 -0.01 0.00 0.52 0.00 0.00 34.95 32.26 1djs s ARG 119 CO 0.26 0.65 0.84 0.41 0.02 0.00 0.00 175.30 177.48 1djs n GLY 120 N 1.07 -2.45 0.33 -3.53 0.00 -0.36 -1.14 105.19 99.11 1djs n GLY 120 Ca -0.11 0.52 0.27 0.00 0.00 0.00 0.00 46.02 46.70 1djs n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1djs h PRO 121 N 0.00 0.19 -0.02 1.61 0.10 -1.86 0.20 132.00 132.22 1djs h PRO 121 Ca 0.01 -0.01 0.00 0.00 0.10 0.00 0.00 66.00 66.10 1djs h PRO 121 Cb 0.04 -0.04 0.00 0.00 0.10 0.00 0.00 31.00 31.09 1djs h PRO 121 CO -0.08 0.13 0.00 0.54 0.10 0.00 0.00 178.00 178.69 1djs n ARG 122 N -5.13 1.10 -3.96 1.05 5.12 -0.29 -4.87 116.66 109.68 1djs n ARG 122 Ca 0.34 -0.16 -0.21 0.00 -1.93 0.00 0.00 57.85 55.89 1djs n ARG 122 Cb 1.10 -1.31 -0.04 0.00 -1.16 0.00 0.00 32.46 31.05 1djs n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1djs s THR 123 N -1.97 4.07 0.19 0.55 -4.23 0.69 -4.90 115.64 110.04 1djs s THR 123 Ca 0.29 -1.37 -0.23 0.00 -1.18 0.00 0.00 61.69 59.20 1djs s THR 123 Cb 0.14 -3.32 0.06 0.00 1.34 0.00 0.00 72.50 70.72 1djs s THR 123 CO 0.22 -0.27 0.95 -1.38 -0.54 0.00 0.00 174.62 173.61 1djs s HIS 124 N -2.20 -0.06 0.39 3.99 -3.43 -1.26 -4.85 115.29 107.87 1djs s HIS 124 Ca 0.37 -0.32 0.20 0.00 -0.80 0.00 0.00 55.06 54.51 1djs s HIS 124 Cb -0.07 0.68 1.11 0.00 -1.43 0.00 0.00 32.58 32.87 1djs s HIS 124 CO 0.26 -0.95 1.97 1.88 -2.00 0.00 0.00 174.74 175.90 1djs h TYR 125 N 2.00 0.00 0.00 0.38 0.05 -2.00 -3.20 116.97 114.20 1djs h TYR 125 Ca -0.25 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.53 1djs h TYR 125 Cb 1.23 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.97 1djs h TYR 125 CO 0.72 0.21 0.00 0.41 -1.05 0.00 0.00 178.16 178.45 1djs n GLY 126 N -0.65 1.59 3.36 3.88 0.00 -1.26 -4.85 105.19 107.26 1djs n GLY 126 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1djs n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1djs s GLN 127 N -0.53 1.57 0.38 1.61 -0.21 -1.21 -5.01 119.66 116.27 1djs s GLN 127 Ca 0.00 -1.21 0.27 0.00 0.02 0.00 0.00 55.36 54.44 1djs s GLN 127 Cb 0.00 -1.89 0.85 0.00 1.00 0.00 0.00 33.01 32.97 1djs s GLN 127 CO 0.00 0.47 1.77 0.87 -2.12 0.00 0.00 175.29 176.28 1djs h LYS 128 N 4.36 0.00 0.00 2.91 1.57 -1.92 -3.28 116.57 120.22 1djs h LYS 128 Ca -0.48 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 1djs h LYS 128 Cb 1.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 1djs h LYS 128 CO 0.41 0.00 -0.05 0.00 -0.57 0.00 0.00 179.45 179.25 1djs h ALA 129 N 2.17 1.75 -0.02 3.86 0.00 -1.95 -2.31 119.26 122.75 1djs h ALA 129 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1djs h ALA 129 Cb 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1djs h ALA 129 CO 0.00 0.06 -0.01 0.44 0.00 0.00 0.00 179.25 179.74 1djs n ILE 130 N -4.23 0.00 -3.35 0.00 -5.35 -1.24 -1.14 119.36 104.05 1djs n ILE 130 Ca -0.03 -0.30 -0.41 0.00 -0.27 0.00 0.00 62.75 61.74 1djs n ILE 130 Cb 0.13 0.73 -0.09 0.00 -1.74 0.00 0.00 39.64 38.67 1djs n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1djs s LEU 131 N -2.02 4.34 0.14 7.28 1.43 -0.87 -4.39 118.68 124.58 1djs s LEU 131 Ca 0.35 -0.07 0.10 0.00 -1.03 0.00 0.00 54.13 53.47 1djs s LEU 131 Cb 0.21 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 1djs s LEU 131 CO 0.34 -0.35 -0.18 -0.36 0.23 0.00 0.00 176.35 176.03 1djs s PHE 132 N 2.13 2.50 -0.12 0.29 0.08 -0.39 0.12 117.98 122.59 1djs s PHE 132 Ca 0.14 -0.28 -0.01 0.00 0.12 0.00 0.00 56.93 56.91 1djs s PHE 132 Cb -0.16 -1.30 0.03 0.00 -0.57 0.00 0.00 43.02 41.02 1djs s PHE 132 CO 0.12 0.42 -0.06 -1.17 -0.10 0.00 0.00 175.22 174.43 1djs s LEU 133 N -2.33 1.14 0.15 -0.37 2.96 0.43 -0.35 118.68 120.30 1djs s LEU 133 Ca 0.19 -0.33 -0.31 0.00 -0.22 0.00 0.00 54.13 53.46 1djs s LEU 133 Cb -0.10 -0.78 -0.09 0.00 0.50 0.00 0.00 46.19 45.73 1djs s LEU 133 CO 0.11 -0.15 1.47 -2.84 -1.32 0.00 0.00 176.35 173.62 1djs s PRO 134 N 1.75 4.27 0.04 0.98 0.02 -1.26 -1.70 135.00 139.10 1djs s PRO 134 Ca 0.04 2.22 0.03 0.00 0.02 0.00 0.00 61.00 63.31 1djs s PRO 134 Cb -0.13 -3.19 -0.02 0.00 0.02 0.00 0.00 34.50 31.17 1djs s PRO 134 CO -0.08 -0.51 -0.09 -0.51 -0.33 0.00 0.00 177.00 175.49 1djs s LEU 135 N 0.97 2.24 0.85 -5.54 1.43 -0.23 -4.94 118.68 113.46 1djs s LEU 135 Ca 0.66 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 1djs s LEU 135 Cb -0.40 -0.23 0.10 0.00 0.03 0.00 0.00 46.19 45.69 1djs s LEU 135 CO 0.32 -0.16 1.09 -2.16 0.23 0.00 0.00 176.35 175.67 1djs s PRO 136 N -1.49 1.59 0.14 1.29 0.04 -1.26 0.89 135.00 136.20 1djs s PRO 136 Ca -0.08 0.89 -0.17 0.00 0.04 0.00 0.00 61.00 61.68 1djs s PRO 136 Cb -0.09 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 1djs s PRO 136 CO 0.01 -2.03 1.76 0.28 0.04 0.00 0.00 177.00 177.06 1djs h VAL 137 N -1.40 1.12 -1.75 -0.36 2.07 -1.92 -3.41 116.25 110.61 1djs h VAL 137 Ca -0.48 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1djs h VAL 137 Cb 1.27 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1djs h VAL 137 CO 0.54 0.12 0.00 -1.20 0.02 0.00 0.00 177.57 177.05 1djs n SER 138 N -4.80 0.51 0.00 0.57 7.64 -1.26 -4.97 113.62 111.31 1djs n SER 138 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1djs n SER 138 Cb 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1djs n SER 138 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1djs n SER 139 N 0.00 0.00 0.00 6.43 3.41 -1.26 -5.15 113.62 117.05 1djs n SER 139 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1djs n SER 139 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1djs n SER 139 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35