#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sos h THR 2 N 0.00 0.55 -3.86 0.00 1.35 -1.91 -3.43 112.91 105.61 1sos h THR 2 Ca 0.00 -2.10 -0.31 0.00 -0.55 0.00 0.00 66.41 63.46 1sos h THR 2 Cb 0.00 2.09 -0.19 0.00 -1.73 0.00 0.00 68.15 68.32 1sos h THR 2 CO 0.00 0.32 -0.74 -0.54 -0.25 0.00 0.00 175.52 174.31 1sos s LYS 3 N -2.88 0.72 0.23 4.72 1.02 -1.26 -0.63 119.74 121.66 1sos s LYS 3 Ca -0.03 -1.00 -0.11 0.00 0.02 0.00 0.00 55.97 54.86 1sos s LYS 3 Cb 0.09 -0.45 -0.01 0.00 -0.52 0.00 0.00 37.83 36.94 1sos s LYS 3 CO 0.81 0.07 0.41 0.00 -0.92 0.00 0.00 175.35 175.73 1sos s ALA 4 N -2.00 -0.01 0.23 5.17 0.00 -0.54 -1.76 121.76 122.84 1sos s ALA 4 Ca -0.01 -1.00 -0.13 0.00 0.00 0.00 0.00 51.96 50.83 1sos s ALA 4 Cb -0.06 1.10 -0.00 0.00 0.00 0.00 0.00 23.12 24.17 1sos s ALA 4 CO -0.00 -0.80 0.46 0.54 0.00 0.00 0.00 175.76 175.96 1sos s VAL 5 N -4.03 0.01 -0.29 0.00 0.11 -0.77 -1.06 120.40 114.37 1sos s VAL 5 Ca 0.24 -1.31 -0.14 0.00 -2.93 0.00 0.00 61.98 57.84 1sos s VAL 5 Cb 0.01 -2.06 0.12 0.00 -1.53 0.00 0.00 36.38 32.92 1sos s VAL 5 CO 0.09 -0.06 0.77 0.00 -3.33 0.00 0.00 175.10 172.56 1sos s ALA 6 N -3.99 -2.11 -0.44 1.54 0.00 -0.40 -0.98 121.76 115.37 1sos s ALA 6 Ca 0.20 2.32 -0.18 0.00 0.00 0.00 0.00 51.96 54.29 1sos s ALA 6 Cb -0.00 -1.67 0.03 0.00 0.00 0.00 0.00 23.12 21.48 1sos s ALA 6 CO 0.06 -0.62 0.49 0.08 0.00 0.00 0.00 175.76 175.77 1sos s VAL 7 N 2.09 5.03 -0.19 0.00 1.01 -1.26 -1.09 120.40 125.98 1sos s VAL 7 Ca -0.08 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 1sos s VAL 7 Cb -0.07 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1sos s VAL 7 CO -0.18 -0.52 1.00 -0.76 0.00 0.00 0.00 175.10 174.63 1sos s LEU 8 N 2.28 4.14 0.04 3.92 1.02 0.25 -4.04 118.68 126.29 1sos s LEU 8 Ca 0.13 1.39 -0.01 0.00 0.02 0.00 0.00 54.13 55.66 1sos s LEU 8 Cb -0.17 -3.50 -0.03 0.00 0.02 0.00 0.00 46.19 42.51 1sos s LEU 8 CO 0.14 -0.58 -0.01 -0.54 0.02 0.00 0.00 176.35 175.38 1sos s LYS 9 N 2.78 0.52 0.00 1.70 1.02 -0.41 -0.79 119.74 124.55 1sos s LYS 9 Ca 0.44 -0.96 0.00 0.00 0.02 0.00 0.00 55.97 55.48 1sos s LYS 9 Cb -0.16 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 1sos s LYS 9 CO 0.10 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.84 1sos n GLY 10 N 0.67 1.78 0.21 -3.33 0.00 -1.24 -1.50 105.19 101.78 1sos n GLY 10 Ca -0.18 -0.95 0.13 0.00 0.00 0.00 0.00 46.02 45.03 1sos n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sos n ASP 11 N -0.74 0.85 0.00 1.61 8.00 -1.26 -4.86 116.55 120.16 1sos n ASP 11 Ca 0.00 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.70 1sos n ASP 11 Cb 0.00 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1sos n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sos n GLY 12 N 1.32 2.85 0.15 0.44 0.00 -1.26 -5.02 105.19 103.66 1sos n GLY 12 Ca 0.13 -1.88 0.13 0.00 0.00 0.00 0.00 46.02 44.39 1sos n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sos h PRO 13 N 0.00 0.00 -6.47 1.61 0.13 -1.89 -3.47 132.00 121.91 1sos h PRO 13 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 1sos h PRO 13 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 1sos h PRO 13 CO 0.00 0.00 0.81 0.08 -0.23 0.00 0.00 178.00 178.66 1sos s VAL 14 N -3.32 3.38 -0.03 1.56 1.01 -1.26 -4.37 120.40 117.38 1sos s VAL 14 Ca 0.05 0.91 -0.19 0.00 0.00 0.00 0.00 61.98 62.75 1sos s VAL 14 Cb 0.10 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.93 1sos s VAL 14 CO 0.46 0.03 0.40 -1.58 0.00 0.00 0.00 175.10 174.42 1sos s GLN 15 N 1.78 0.75 0.00 2.72 0.74 -0.60 -3.68 119.66 121.37 1sos s GLN 15 Ca 0.66 -0.04 0.00 0.00 0.05 0.00 0.00 55.36 56.03 1sos s GLN 15 Cb -0.36 0.34 0.00 0.00 1.10 0.00 0.00 33.01 34.10 1sos s GLN 15 CO 0.29 -0.21 0.00 0.41 -0.55 0.00 0.00 175.29 175.23 1sos n GLY 16 N 1.27 1.43 2.91 2.59 0.00 0.03 -0.46 105.19 112.97 1sos n GLY 16 Ca -0.21 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.64 1sos n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sos s ILE 17 N -2.00 0.96 -0.10 -0.61 1.01 -0.68 0.86 121.20 120.65 1sos s ILE 17 Ca 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.41 1sos s ILE 17 Cb 0.00 -0.97 -0.00 0.00 0.01 0.00 0.00 42.46 41.50 1sos s ILE 17 CO 0.00 0.35 -0.24 -0.63 0.00 0.00 0.00 174.94 174.42 1sos s ILE 18 N 1.51 2.03 0.08 2.92 -1.09 -0.25 -3.28 121.20 123.13 1sos s ILE 18 Ca 0.01 -1.01 0.02 0.00 -2.23 0.00 0.00 60.65 57.45 1sos s ILE 18 Cb -0.13 -1.76 -0.04 0.00 -1.58 0.00 0.00 42.46 38.95 1sos s ILE 18 CO -0.06 0.55 0.12 0.20 -1.23 0.00 0.00 174.94 174.53 1sos s ASN 19 N 0.33 5.75 0.00 3.58 -0.87 -0.28 -1.28 114.94 122.17 1sos s ASN 19 Ca -0.18 0.06 0.05 0.00 -1.57 0.00 0.00 52.86 51.21 1sos s ASN 19 Cb -0.18 -1.61 -0.01 0.00 -0.02 0.00 0.00 41.25 39.43 1sos s ASN 19 CO 0.09 0.16 -0.15 -0.36 -2.57 0.00 0.00 177.10 174.27 1sos s PHE 20 N -1.44 1.33 -0.03 2.20 0.40 -0.23 -1.72 117.98 118.49 1sos s PHE 20 Ca 0.31 -0.28 -0.02 0.00 -0.60 0.00 0.00 56.93 56.34 1sos s PHE 20 Cb -0.12 -0.84 0.02 0.00 0.51 0.00 0.00 43.02 42.59 1sos s PHE 20 CO 0.24 -0.00 0.06 -2.00 0.70 0.00 0.00 175.22 174.22 1sos s GLU 21 N -0.57 0.04 -0.21 0.44 2.12 -0.28 -1.47 118.70 118.79 1sos s GLU 21 Ca 0.05 0.15 -0.04 0.00 0.36 0.00 0.00 54.97 55.48 1sos s GLU 21 Cb -0.06 -0.07 0.07 0.00 0.26 0.00 0.00 34.13 34.33 1sos s GLU 21 CO -0.00 -0.07 0.10 -1.14 -0.54 0.00 0.00 175.26 173.60 1sos s GLN 22 N 0.46 0.16 0.24 4.30 0.74 0.19 -0.70 119.66 125.05 1sos s GLN 22 Ca -0.04 -0.25 0.03 0.00 0.05 0.00 0.00 55.36 55.16 1sos s GLN 22 Cb -0.05 -1.68 0.25 0.00 1.10 0.00 0.00 33.01 32.63 1sos s GLN 22 CO -0.02 -0.77 1.57 0.87 -0.55 0.00 0.00 175.29 176.40 1sos h LYS 23 N 8.40 0.32 -5.98 1.67 1.79 -1.82 -3.39 116.57 117.55 1sos h LYS 23 Ca -0.16 -0.20 -0.53 0.00 -2.18 0.00 0.00 60.65 57.58 1sos h LYS 23 Cb 1.11 0.02 -0.22 0.00 -1.58 0.00 0.00 32.23 31.56 1sos h LYS 23 CO 0.34 0.79 -0.82 -1.21 -1.08 0.00 0.00 179.45 177.47 1sos s GLU 24 N -3.89 1.09 0.57 3.15 8.01 -1.26 -5.03 118.70 121.35 1sos s GLU 24 Ca -0.05 -1.09 0.27 0.00 0.01 0.00 0.00 54.97 54.12 1sos s GLU 24 Cb 0.12 -1.28 1.55 0.00 -4.31 0.00 0.00 34.13 30.21 1sos s GLU 24 CO 0.80 0.30 2.04 0.66 0.01 0.00 0.00 175.26 179.08 1sos h SER 25 N 4.23 0.00 -0.59 -0.19 4.64 -1.95 0.10 113.55 119.79 1sos h SER 25 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1sos h SER 25 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1sos h SER 25 CO 0.40 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.90 1sos n ASN 26 N -3.94 4.72 -5.01 4.97 6.94 -1.26 -4.90 115.26 116.79 1sos n ASN 26 Ca 0.04 -2.53 -0.18 0.00 -0.02 0.00 0.00 54.58 51.90 1sos n ASN 26 Cb 0.43 -0.57 0.02 0.00 -2.36 0.00 0.00 39.78 37.30 1sos n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1sos s GLY 27 N -0.99 1.92 0.94 4.83 0.00 0.02 -5.09 107.32 108.95 1sos s GLY 27 Ca 0.49 -1.66 -0.11 0.00 0.00 0.00 0.00 44.72 43.44 1sos s GLY 27 CO 0.22 -1.46 0.75 -1.55 0.00 0.00 0.00 173.10 171.06 1sos n PRO 28 N -1.93 -0.38 -4.58 2.90 -0.04 -1.26 -4.89 135.00 124.83 1sos n PRO 28 Ca 0.08 -0.06 -0.33 0.00 -0.04 0.00 0.00 63.50 63.15 1sos n PRO 28 Cb 0.59 -2.10 -0.13 0.00 -0.04 0.00 0.00 33.50 31.83 1sos n PRO 28 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sos s VAL 29 N -2.51 3.54 -0.19 0.52 1.01 0.78 -4.34 120.40 119.21 1sos s VAL 29 Ca 0.61 -0.49 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 1sos s VAL 29 Cb -0.22 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1sos s VAL 29 CO 0.63 0.52 0.44 -0.75 0.00 0.00 0.00 175.10 175.93 1sos s LYS 30 N 0.24 4.20 -0.09 2.72 2.20 0.12 -1.15 119.74 127.99 1sos s LYS 30 Ca -0.05 0.28 0.03 0.00 -0.36 0.00 0.00 55.97 55.87 1sos s LYS 30 Cb -0.15 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 1sos s LYS 30 CO 0.04 -0.04 -0.20 0.54 -0.36 0.00 0.00 175.35 175.33 1sos s VAL 31 N 1.31 1.73 0.07 4.02 0.11 -0.13 -1.12 120.40 126.39 1sos s VAL 31 Ca 0.21 -0.83 -0.17 0.00 -2.93 0.00 0.00 61.98 58.26 1sos s VAL 31 Cb -0.15 -1.51 0.04 0.00 -1.53 0.00 0.00 36.38 33.22 1sos s VAL 31 CO 0.09 0.49 0.41 -1.66 -3.33 0.00 0.00 175.10 171.09 1sos s TRP 32 N 0.42 -0.24 -5.00 1.54 -2.14 -0.70 -0.91 118.94 111.91 1sos s TRP 32 Ca -0.17 0.10 0.00 0.00 2.66 0.00 0.00 56.10 58.69 1sos s TRP 32 Cb -0.17 0.23 0.00 0.00 -3.10 0.00 0.00 33.47 30.43 1sos s TRP 32 CO 0.07 -0.62 0.00 0.41 -2.66 0.00 0.00 176.95 174.15 1sos n GLY 33 N 0.24 -0.01 3.54 3.67 0.00 -1.14 -1.12 105.19 110.36 1sos n GLY 33 Ca -0.18 -1.74 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 1sos n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sos s SER 34 N -1.49 4.12 -0.02 1.61 0.01 -1.20 -0.68 113.70 116.05 1sos s SER 34 Ca 0.00 -0.53 0.06 0.00 1.31 0.00 0.00 55.95 56.79 1sos s SER 34 Cb 0.00 -0.67 -0.02 0.00 0.21 0.00 0.00 66.02 65.55 1sos s SER 34 CO 0.00 0.15 -0.20 -0.63 0.41 0.00 0.00 173.24 172.97 1sos s ILE 35 N -1.37 1.57 0.24 1.44 1.01 -0.41 -1.68 121.20 122.00 1sos s ILE 35 Ca 0.21 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 60.02 1sos s ILE 35 Cb -0.10 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 41.02 1sos s ILE 35 CO 0.13 0.44 0.12 -1.59 0.00 0.00 0.00 174.94 174.04 1sos s LYS 36 N -0.46 1.36 0.00 2.79 -2.85 0.40 -0.61 119.74 120.36 1sos s LYS 36 Ca 0.07 -1.73 0.00 0.00 -1.00 0.00 0.00 55.97 53.31 1sos s LYS 36 Cb -0.08 -0.05 0.00 0.00 -2.06 0.00 0.00 37.83 35.64 1sos s LYS 36 CO -0.01 -0.35 0.00 0.41 0.10 0.00 0.00 175.35 175.51 1sos n GLY 37 N -0.41 0.75 3.86 0.59 0.00 -0.61 -1.56 105.19 107.82 1sos n GLY 37 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1sos n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sos s LEU 38 N 0.00 3.38 0.26 0.99 2.01 -0.38 -4.29 118.68 120.64 1sos s LEU 38 Ca 0.00 1.45 -0.30 0.00 0.01 0.00 0.00 54.13 55.29 1sos s LEU 38 Cb 0.00 -4.46 -0.09 0.00 0.01 0.00 0.00 46.19 41.65 1sos s LEU 38 CO 0.00 -0.76 1.04 0.42 1.01 0.00 0.00 176.35 178.06 1sos s THR 39 N -2.97 3.72 0.22 5.49 -4.23 -1.26 -4.13 115.64 112.48 1sos s THR 39 Ca 0.56 1.72 -0.30 0.00 -1.18 0.00 0.00 61.69 62.48 1sos s THR 39 Cb -0.11 -4.09 -0.15 0.00 1.34 0.00 0.00 72.50 69.49 1sos s THR 39 CO 0.46 0.40 0.98 1.21 -0.54 0.00 0.00 174.62 177.13 1sos n GLU 40 N 1.38 0.98 0.00 3.99 2.13 -1.26 -4.73 120.64 123.14 1sos n GLU 40 Ca -0.01 0.35 0.00 0.00 0.66 0.00 0.00 57.16 58.16 1sos n GLU 40 Cb 0.46 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 30.46 1sos n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sos n GLY 41 N 1.67 2.81 3.50 8.31 0.00 -0.12 -4.94 105.19 116.43 1sos n GLY 41 Ca 0.14 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 1sos n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sos n LEU 42 N 0.00 0.65 -3.69 0.99 4.32 -1.26 -2.64 117.00 115.38 1sos n LEU 42 Ca 0.00 1.04 -0.10 0.00 -0.02 0.00 0.00 56.01 56.93 1sos n LEU 42 Cb 0.00 -1.17 -0.11 0.00 -1.62 0.00 0.00 43.42 40.52 1sos n LEU 42 CO 0.00 -2.28 0.03 -1.00 -1.22 0.00 0.00 177.39 172.91 1sos s HIS 43 N -1.25 -0.62 0.45 -1.77 3.76 0.19 -3.93 115.29 112.11 1sos s HIS 43 Ca 0.62 1.30 -0.22 0.00 -0.15 0.00 0.00 55.06 56.61 1sos s HIS 43 Cb -0.68 0.25 -0.12 0.00 1.11 0.00 0.00 32.58 33.14 1sos s HIS 43 CO 0.58 -0.37 0.57 0.41 -0.85 0.00 0.00 174.74 175.09 1sos n GLY 44 N 4.59 -1.40 2.74 -2.22 0.00 -0.15 -1.28 105.19 107.47 1sos n GLY 44 Ca -0.19 0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 1sos n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sos s PHE 45 N -1.51 -0.24 0.07 1.61 5.36 -0.56 -0.95 117.98 121.76 1sos s PHE 45 Ca 0.64 0.15 -0.06 0.00 -0.96 0.00 0.00 56.93 56.70 1sos s PHE 45 Cb -0.56 -0.40 -0.02 0.00 -0.34 0.00 0.00 43.02 41.70 1sos s PHE 45 CO 0.57 -0.61 0.10 -1.01 -1.46 0.00 0.00 175.22 172.81 1sos s HIS 46 N 2.31 0.28 -0.36 10.12 3.76 -0.52 -2.36 115.29 128.51 1sos s HIS 46 Ca 0.07 -0.73 -0.08 0.00 -0.15 0.00 0.00 55.06 54.17 1sos s HIS 46 Cb -0.16 -0.18 0.05 0.00 1.11 0.00 0.00 32.58 33.40 1sos s HIS 46 CO -0.13 -0.46 0.16 0.08 -0.85 0.00 0.00 174.74 173.55 1sos s VAL 47 N -3.64 4.00 0.45 -0.90 1.01 -0.35 -0.58 120.40 120.38 1sos s VAL 47 Ca 0.04 -1.17 -0.15 0.00 0.00 0.00 0.00 61.98 60.70 1sos s VAL 47 Cb 0.05 -3.31 -0.08 0.00 0.00 0.00 0.00 36.38 33.04 1sos s VAL 47 CO -0.09 -0.27 0.88 -1.00 0.00 0.00 0.00 175.10 174.61 1sos s HIS 48 N 1.42 3.43 0.22 5.22 3.76 0.38 -0.88 115.29 128.84 1sos s HIS 48 Ca 0.00 1.31 -0.09 0.00 -0.15 0.00 0.00 55.06 56.13 1sos s HIS 48 Cb -0.20 -2.65 0.21 0.00 1.11 0.00 0.00 32.58 31.05 1sos s HIS 48 CO 0.03 -0.20 1.88 1.49 -0.85 0.00 0.00 174.74 177.09 1sos h GLU 49 N 1.30 1.02 -6.04 1.40 4.81 -0.63 -2.99 114.58 113.45 1sos h GLU 49 Ca -0.47 -0.06 -0.61 0.00 -0.13 0.00 0.00 59.36 58.08 1sos h GLU 49 Cb 1.18 -0.23 -0.06 0.00 0.63 0.00 0.00 28.75 30.28 1sos h GLU 49 CO 0.63 0.67 -0.53 -0.06 -0.73 0.00 0.00 179.01 178.99 1sos s PHE 50 N -6.12 3.38 -0.93 0.92 0.08 0.13 -4.69 117.98 110.76 1sos s PHE 50 Ca -0.13 0.16 0.00 0.00 0.12 0.00 0.00 56.93 57.08 1sos s PHE 50 Cb 0.16 -1.68 0.32 0.00 -0.57 0.00 0.00 43.02 41.24 1sos s PHE 50 CO 0.79 0.55 1.52 0.41 -0.10 0.00 0.00 175.22 178.39 1sos n GLY 51 N 0.18 5.77 2.79 4.36 0.00 -1.15 -3.18 105.19 113.97 1sos n GLY 51 Ca -0.07 -2.65 -0.29 0.00 0.00 0.00 0.00 46.02 43.01 1sos n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sos s ASP 52 N -1.92 3.70 -0.39 1.61 -1.08 -1.26 -4.94 116.67 112.38 1sos s ASP 52 Ca 0.39 -1.33 0.06 0.00 -0.52 0.00 0.00 52.55 51.15 1sos s ASP 52 Cb 0.18 -0.88 0.57 0.00 -1.46 0.00 0.00 42.92 41.32 1sos s ASP 52 CO -0.08 -0.34 1.69 0.59 0.52 0.00 0.00 175.17 177.54 1sos n ASN 53 N 4.84 3.52 0.03 -0.34 4.13 -1.26 -2.78 115.26 123.40 1sos n ASN 53 Ca -0.06 -3.72 0.10 0.00 1.68 0.00 0.00 54.58 52.58 1sos n ASN 53 Cb 0.44 -0.74 0.44 0.00 -1.54 0.00 0.00 39.78 38.38 1sos n ASN 53 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1sos n THR 54 N -1.10 0.65 -2.70 3.41 -2.24 -1.26 -2.76 114.28 108.27 1sos n THR 54 Ca 0.47 0.12 -0.05 0.00 -2.27 0.00 0.00 64.05 62.32 1sos n THR 54 Cb 1.26 -0.84 0.04 0.00 -2.10 0.00 0.00 70.33 68.69 1sos n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sos n ALA 55 N -1.57 3.09 -0.86 6.98 0.00 -1.26 -5.06 120.51 121.83 1sos n ALA 55 Ca 0.04 -2.99 0.00 0.00 0.00 0.00 0.00 53.44 50.50 1sos n ALA 55 Cb 0.25 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1sos n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sos n GLY 56 N -0.52 0.80 0.18 0.00 0.00 -1.11 -2.16 105.19 102.37 1sos n GLY 56 Ca 0.13 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.57 1sos n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sos h THR 58 N 0.00 1.16 -0.00 0.00 2.02 -1.76 -2.46 112.91 111.86 1sos h THR 58 Ca 0.00 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1sos h THR 58 Cb 0.23 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1sos h THR 58 CO 0.00 0.21 -0.03 -1.54 0.37 0.00 0.00 175.52 174.53 1sos n SER 59 N -4.33 0.27 0.18 4.18 3.41 -1.11 -3.46 113.62 112.75 1sos n SER 59 Ca 0.01 -0.71 0.13 0.00 -0.26 0.00 0.00 58.87 58.04 1sos n SER 59 Cb 0.21 -0.09 0.61 0.00 -0.26 0.00 0.00 64.21 64.67 1sos n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sos h ALA 60 N 3.78 1.00 0.00 7.33 0.00 -1.26 -3.41 119.26 126.71 1sos h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sos h ALA 60 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1sos h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1sos n GLY 61 N -0.50 -2.02 3.11 0.00 0.00 -1.22 -0.69 105.19 103.87 1sos n GLY 61 Ca 0.00 -1.44 -0.23 0.00 0.00 0.00 0.00 46.02 44.35 1sos n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sos n PRO 62 N 0.00 -0.90 -2.22 1.61 -0.04 -1.26 -4.52 135.00 127.66 1sos n PRO 62 Ca 0.00 -1.73 -0.37 0.00 -0.04 0.00 0.00 63.50 61.36 1sos n PRO 62 Cb 0.00 -1.03 -0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1sos n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1sos s HIS 63 N -3.22 2.81 -0.06 0.54 3.76 -1.26 -0.54 115.29 117.32 1sos s HIS 63 Ca 0.60 1.53 -0.29 0.00 -0.15 0.00 0.00 55.06 56.74 1sos s HIS 63 Cb -0.02 -3.40 -0.07 0.00 1.11 0.00 0.00 32.58 30.20 1sos s HIS 63 CO 0.42 -1.60 1.99 0.12 -0.85 0.00 0.00 174.74 174.81 1sos s PHE 64 N -1.55 1.35 -0.43 1.40 5.36 -0.06 -4.47 117.98 119.58 1sos s PHE 64 Ca 0.65 -0.07 0.05 0.00 -0.96 0.00 0.00 56.93 56.60 1sos s PHE 64 Cb -0.29 -4.12 0.18 0.00 -0.34 0.00 0.00 43.02 38.46 1sos s PHE 64 CO 0.35 -4.87 0.44 -1.71 -1.46 0.00 0.00 175.22 167.97 1sos n ASN 65 N 8.71 -1.01 0.19 6.13 5.15 -1.26 -1.89 115.26 131.29 1sos n ASN 65 Ca 0.22 -2.53 0.06 0.00 -0.60 0.00 0.00 54.58 51.73 1sos n ASN 65 Cb 0.43 -0.09 0.35 0.00 -0.53 0.00 0.00 39.78 39.94 1sos n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1sos h PRO 66 N 5.29 0.00 -0.57 1.20 0.13 -1.94 -3.21 132.00 132.89 1sos h PRO 66 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1sos h PRO 66 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1sos h PRO 66 CO 0.32 0.37 0.00 1.28 -0.23 0.00 0.00 178.00 179.73 1sos n LEU 67 N -3.57 3.16 -4.17 1.56 4.77 -1.26 -4.98 117.00 112.52 1sos n LEU 67 Ca -0.00 -1.59 -0.39 0.00 -0.03 0.00 0.00 56.01 54.00 1sos n LEU 67 Cb 0.49 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1sos n LEU 67 CO 0.37 0.70 -0.29 -1.20 -1.33 0.00 0.00 177.39 175.63 1sos n SER 68 N 1.00 -1.93 -4.17 -1.43 7.64 -1.22 -4.99 113.62 108.52 1sos n SER 68 Ca 0.19 -1.28 -0.15 0.00 1.01 0.00 0.00 58.87 58.63 1sos n SER 68 Cb 0.53 -1.72 0.06 0.00 -1.01 0.00 0.00 64.21 62.07 1sos n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1sos n ARG 69 N -4.83 0.55 -3.32 1.43 1.74 -1.26 -5.13 116.66 105.83 1sos n ARG 69 Ca -0.21 -2.31 -0.21 0.00 -0.77 0.00 0.00 57.85 54.35 1sos n ARG 69 Cb 0.62 -0.26 0.01 0.00 -1.02 0.00 0.00 32.46 31.82 1sos n ARG 69 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1sos s LYS 70 N -4.12 2.46 0.62 5.56 -0.14 -1.26 -4.78 119.74 118.08 1sos s LYS 70 Ca 0.47 -1.61 -0.19 0.00 -1.36 0.00 0.00 55.97 53.29 1sos s LYS 70 Cb -0.03 -2.50 -0.02 0.00 -1.68 0.00 0.00 37.83 33.59 1sos s LYS 70 CO 0.30 -0.53 1.26 -1.58 -0.76 0.00 0.00 175.35 174.05 1sos s HIS 71 N -2.57 2.22 0.28 3.18 2.46 0.05 -3.08 115.29 117.83 1sos s HIS 71 Ca 0.52 1.49 -0.19 0.00 0.47 0.00 0.00 55.06 57.34 1sos s HIS 71 Cb -0.05 -3.62 0.06 0.00 -0.13 0.00 0.00 32.58 28.84 1sos s HIS 71 CO 0.31 -2.63 0.89 0.20 -2.47 0.00 0.00 174.74 171.04 1sos s GLY 72 N -1.45 0.17 0.63 1.59 0.00 -1.24 -4.44 107.32 102.59 1sos s GLY 72 Ca 0.80 -0.47 -0.09 0.00 0.00 0.00 0.00 44.72 44.96 1sos s GLY 72 CO 0.37 0.70 1.00 -0.32 0.00 0.00 0.00 173.10 174.85 1sos s GLY 73 N -3.16 1.61 0.37 0.20 0.00 -1.25 -4.78 107.32 100.31 1sos s GLY 73 Ca 0.17 -0.41 0.27 0.00 0.00 0.00 0.00 44.72 44.75 1sos s GLY 73 CO 0.08 -0.11 1.81 -0.56 0.00 0.00 0.00 173.10 174.33 1sos h PRO 74 N -0.36 0.00 0.00 2.90 0.13 -1.86 -2.47 132.00 130.34 1sos h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1sos h PRO 74 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1sos h PRO 74 CO 0.62 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.02 1sos n LYS 75 N -2.57 0.12 -2.56 0.86 5.02 -1.26 -4.88 118.16 112.89 1sos n LYS 75 Ca 0.02 0.13 -0.24 0.00 -2.02 0.00 0.00 58.31 56.20 1sos n LYS 75 Cb 0.27 -1.65 0.04 0.00 -0.02 0.00 0.00 35.03 33.67 1sos n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sos s ASP 76 N -3.69 5.37 -0.05 4.39 1.01 -0.93 -5.02 116.67 117.74 1sos s ASP 76 Ca 0.12 0.33 0.12 0.00 0.71 0.00 0.00 52.55 53.83 1sos s ASP 76 Cb 0.15 -1.26 -0.23 0.00 1.01 0.00 0.00 42.92 42.59 1sos s ASP 76 CO 0.53 -1.13 0.65 -0.62 0.21 0.00 0.00 175.17 174.81 1sos n GLU 77 N -2.47 0.63 -3.43 8.23 1.02 -1.26 -4.44 120.64 118.92 1sos n GLU 77 Ca 0.06 0.29 -0.44 0.00 -0.02 0.00 0.00 57.16 57.05 1sos n GLU 77 Cb 0.59 -1.79 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 1sos n GLU 77 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1sos s GLU 78 N -2.59 3.51 0.07 3.49 2.56 -1.26 -4.95 118.70 119.52 1sos s GLU 78 Ca -0.05 -2.70 -0.04 0.00 0.00 0.00 0.00 54.97 52.17 1sos s GLU 78 Cb 0.08 -4.29 -0.03 0.00 2.00 0.00 0.00 34.13 31.90 1sos s GLU 78 CO 0.82 -1.26 0.06 -0.98 -0.56 0.00 0.00 175.26 173.35 1sos s ARG 79 N -0.31 0.72 0.60 4.30 1.04 -1.22 -3.60 118.95 120.48 1sos s ARG 79 Ca 0.21 -1.13 -0.13 0.00 -1.04 0.00 0.00 55.73 53.64 1sos s ARG 79 Cb -0.12 0.26 -0.04 0.00 -2.04 0.00 0.00 34.95 33.02 1sos s ARG 79 CO -0.08 -0.18 1.03 -1.01 -0.04 0.00 0.00 175.30 175.02 1sos s HIS 80 N -3.90 3.34 0.37 5.89 3.76 -1.18 -4.63 115.29 118.94 1sos s HIS 80 Ca 0.07 1.41 0.14 0.00 -0.15 0.00 0.00 55.06 56.53 1sos s HIS 80 Cb 0.07 -2.83 0.80 0.00 1.11 0.00 0.00 32.58 31.72 1sos s HIS 80 CO -0.10 -0.80 1.86 0.28 -0.85 0.00 0.00 174.74 175.13 1sos h VAL 81 N 0.10 1.19 -0.18 -0.90 2.07 -1.79 -2.84 116.25 113.90 1sos h VAL 81 Ca -0.45 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 65.90 1sos h VAL 81 Cb 1.20 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1sos h VAL 81 CO 0.60 0.33 0.00 0.61 0.02 0.00 0.00 177.57 179.12 1sos n GLY 82 N -0.51 1.31 3.40 2.17 0.00 -0.79 -4.41 105.19 106.36 1sos n GLY 82 Ca -0.02 -0.26 -0.45 0.00 0.00 0.00 0.00 46.02 45.30 1sos n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sos s ASP 83 N -0.47 6.78 0.00 1.61 1.01 -1.07 -1.21 116.67 123.32 1sos s ASP 83 Ca 0.15 -2.51 0.27 0.00 0.71 0.00 0.00 52.55 51.18 1sos s ASP 83 Cb 0.11 -2.32 0.93 0.00 1.01 0.00 0.00 42.92 42.65 1sos s ASP 83 CO 0.06 -0.79 1.67 0.18 0.21 0.00 0.00 175.17 176.51 1sos n LEU 84 N 5.21 1.01 0.00 1.23 4.77 -1.06 -3.83 117.00 124.33 1sos n LEU 84 Ca 0.22 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1sos n LEU 84 Cb 0.47 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1sos n LEU 84 CO 0.45 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1sos n GLY 85 N 1.28 1.19 3.10 -0.72 0.00 -1.00 -4.75 105.19 104.30 1sos n GLY 85 Ca 0.14 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 1sos n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sos s ASN 86 N -4.00 0.97 0.10 1.61 0.01 -1.26 -1.49 114.94 110.88 1sos s ASN 86 Ca 0.00 -0.67 0.08 0.00 -0.71 0.00 0.00 52.86 51.55 1sos s ASN 86 Cb 0.00 0.05 -0.03 0.00 0.41 0.00 0.00 41.25 41.67 1sos s ASN 86 CO 0.00 -0.27 -0.19 0.68 -1.51 0.00 0.00 177.10 175.81 1sos s VAL 87 N -1.97 1.61 -0.11 1.60 -7.23 -0.40 -4.87 120.40 109.02 1sos s VAL 87 Ca -0.04 -1.53 0.03 0.00 -1.81 0.00 0.00 61.98 58.63 1sos s VAL 87 Cb -0.06 -1.49 -0.00 0.00 0.56 0.00 0.00 36.38 35.39 1sos s VAL 87 CO -0.01 -0.11 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.58 1sos s THR 88 N -1.25 2.36 -0.23 5.32 2.01 -1.26 -0.64 115.64 121.94 1sos s THR 88 Ca 0.06 -0.91 -0.07 0.00 0.31 0.00 0.00 61.69 61.08 1sos s THR 88 Cb -0.10 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 1sos s THR 88 CO 0.04 0.55 0.05 0.00 -0.69 0.00 0.00 174.62 174.57 1sos s ALA 89 N 0.40 3.15 1.11 7.40 0.00 -1.08 -4.09 121.76 128.66 1sos s ALA 89 Ca -0.15 -1.06 -0.07 0.00 0.00 0.00 0.00 51.96 50.68 1sos s ALA 89 Cb -0.17 -1.99 0.10 0.00 0.00 0.00 0.00 23.12 21.06 1sos s ALA 89 CO 0.07 -0.35 0.29 -0.40 0.00 0.00 0.00 175.76 175.37 1sos n ASP 90 N 4.64 -2.06 -0.36 0.00 5.68 0.15 -0.94 116.55 123.65 1sos n ASP 90 Ca -0.16 -0.46 -0.01 0.00 -0.50 0.00 0.00 54.79 53.65 1sos n ASP 90 Cb 0.52 -0.30 0.13 0.00 -1.14 0.00 0.00 41.12 40.33 1sos n ASP 90 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1sos h LYS 91 N 0.00 1.27 0.00 0.11 1.57 -1.98 -0.27 116.57 117.27 1sos h LYS 91 Ca -0.12 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1sos h LYS 91 Cb 0.39 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1sos h LYS 91 CO 0.08 0.84 0.00 -0.25 -0.57 0.00 0.00 179.45 179.55 1sos n ASP 92 N -4.40 0.00 0.00 0.86 8.00 -1.26 -4.75 116.55 115.00 1sos n ASP 92 Ca 0.12 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1sos n ASP 92 Cb 0.03 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 1sos n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sos n GLY 93 N 0.85 1.40 3.33 0.44 0.00 -0.11 -4.78 105.19 106.33 1sos n GLY 93 Ca 0.13 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1sos n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sos s VAL 94 N -2.00 2.86 -0.25 1.61 1.01 -1.25 -1.25 120.40 121.13 1sos s VAL 94 Ca 0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 1sos s VAL 94 Cb 0.00 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.20 1sos s VAL 94 CO 0.00 0.52 -0.05 0.00 0.00 0.00 0.00 175.10 175.58 1sos s ALA 95 N 0.47 2.75 -0.75 5.51 0.00 0.22 -0.68 121.76 129.28 1sos s ALA 95 Ca -0.10 -1.40 -0.12 0.00 0.00 0.00 0.00 51.96 50.34 1sos s ALA 95 Cb -0.16 -1.73 0.20 0.00 0.00 0.00 0.00 23.12 21.43 1sos s ALA 95 CO 0.05 -0.74 0.67 -0.51 0.00 0.00 0.00 175.76 175.23 1sos s ASP 96 N 1.37 6.41 0.36 0.00 1.01 -1.26 -1.29 116.67 123.28 1sos s ASP 96 Ca 0.02 -2.58 -0.28 0.00 0.71 0.00 0.00 52.55 50.42 1sos s ASP 96 Cb -0.16 -2.15 -0.10 0.00 1.01 0.00 0.00 42.92 41.53 1sos s ASP 96 CO -0.04 -0.58 1.28 -0.69 0.21 0.00 0.00 175.17 175.35 1sos s VAL 97 N 0.35 2.78 -0.41 -1.27 1.01 0.14 -4.90 120.40 118.10 1sos s VAL 97 Ca 0.15 0.75 0.07 0.00 0.00 0.00 0.00 61.98 62.95 1sos s VAL 97 Cb -0.15 -3.46 0.18 0.00 0.00 0.00 0.00 36.38 32.95 1sos s VAL 97 CO -0.06 0.15 0.60 -0.55 0.00 0.00 0.00 175.10 175.23 1sos s SER 98 N -0.66 -1.10 0.14 3.32 0.15 -1.25 -2.89 113.70 111.41 1sos s SER 98 Ca 0.52 -0.98 0.10 0.00 0.70 0.00 0.00 55.95 56.29 1sos s SER 98 Cb -0.38 1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 65.62 1sos s SER 98 CO 0.49 -0.18 -0.21 -0.63 1.20 0.00 0.00 173.24 173.92 1sos s ILE 99 N 1.71 2.63 -0.18 6.45 1.01 -0.09 -4.99 121.20 127.74 1sos s ILE 99 Ca 0.17 -1.69 -0.02 0.00 0.00 0.00 0.00 60.65 59.11 1sos s ILE 99 Cb -0.05 -2.22 0.05 0.00 0.01 0.00 0.00 42.46 40.25 1sos s ILE 99 CO -0.06 0.04 0.01 -0.70 0.00 0.00 0.00 174.94 174.22 1sos s GLU 100 N -2.29 0.84 0.02 2.79 2.12 -1.26 -0.96 118.70 119.96 1sos s GLU 100 Ca 0.18 -0.41 0.09 0.00 0.36 0.00 0.00 54.97 55.19 1sos s GLU 100 Cb -0.10 -1.98 -0.02 0.00 0.26 0.00 0.00 34.13 32.29 1sos s GLU 100 CO 0.09 -0.56 -0.26 0.34 -0.54 0.00 0.00 175.26 174.33 1sos s ASP 101 N 1.80 3.08 0.00 -1.70 2.15 -0.30 -4.91 116.67 116.79 1sos s ASP 101 Ca -0.00 -0.53 0.14 0.00 0.43 0.00 0.00 52.55 52.59 1sos s ASP 101 Cb -0.16 -0.31 -0.13 0.00 -0.30 0.00 0.00 42.92 42.02 1sos s ASP 101 CO -0.07 0.28 0.64 -1.54 -0.17 0.00 0.00 175.17 174.31 1sos n SER 102 N 2.07 0.82 0.01 -0.34 3.41 -1.26 -0.15 113.62 118.19 1sos n SER 102 Ca -0.16 -0.91 -0.18 0.00 -0.26 0.00 0.00 58.87 57.35 1sos n SER 102 Cb 0.52 0.91 -0.11 0.00 -0.26 0.00 0.00 64.21 65.27 1sos n SER 102 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1sos h VAL 103 N 0.28 1.37 -4.24 -3.33 2.07 -1.94 -3.46 116.25 107.01 1sos h VAL 103 Ca 0.00 -2.11 -0.51 0.00 0.82 0.00 0.00 66.70 64.90 1sos h VAL 103 Cb 0.37 2.48 0.12 0.00 -1.52 0.00 0.00 31.29 32.74 1sos h VAL 103 CO 0.00 0.63 0.35 0.27 0.02 0.00 0.00 177.57 178.84 1sos s ILE 104 N -3.29 3.12 0.14 4.57 -4.36 -1.26 -4.88 121.20 115.24 1sos s ILE 104 Ca -0.12 0.47 -0.02 0.00 -0.26 0.00 0.00 60.65 60.72 1sos s ILE 104 Cb 0.05 -2.96 -0.04 0.00 1.25 0.00 0.00 42.46 40.76 1sos s ILE 104 CO 0.86 -0.38 0.08 -0.55 0.24 0.00 0.00 174.94 175.19 1sos s SER 105 N -2.78 0.28 -0.06 4.36 0.15 -0.94 -4.69 113.70 110.02 1sos s SER 105 Ca 0.66 -1.19 0.18 0.00 0.70 0.00 0.00 55.95 56.30 1sos s SER 105 Cb -0.20 0.31 0.61 0.00 -1.71 0.00 0.00 66.02 65.03 1sos s SER 105 CO 0.47 -0.75 1.52 0.18 1.20 0.00 0.00 173.24 175.87 1sos n LEU 106 N -0.11 4.12 -3.65 3.45 4.77 -1.26 -1.95 117.00 122.36 1sos n LEU 106 Ca -0.05 -2.25 -0.15 0.00 -0.03 0.00 0.00 56.01 53.52 1sos n LEU 106 Cb 0.64 -0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1sos n LEU 106 CO 0.30 0.85 0.21 -0.44 -1.33 0.00 0.00 177.39 176.99 1sos s SER 107 N -1.02 -0.42 0.18 -1.43 0.01 -1.26 -3.47 113.70 106.29 1sos s SER 107 Ca 0.45 0.46 0.00 0.00 1.31 0.00 0.00 55.95 58.17 1sos s SER 107 Cb 0.27 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.99 1sos s SER 107 CO 0.25 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1sos n GLY 108 N 1.30 -1.07 0.37 3.44 0.00 -1.26 -4.10 105.19 103.87 1sos n GLY 108 Ca -0.20 -1.23 0.12 0.00 0.00 0.00 0.00 46.02 44.72 1sos n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sos h ASP 109 N 0.00 0.72 -0.57 1.61 3.32 -2.00 0.19 116.42 119.69 1sos h ASP 109 Ca 0.00 0.05 -0.22 0.00 0.02 0.00 0.00 57.03 56.88 1sos h ASP 109 Cb 0.00 -0.09 -0.13 0.00 0.22 0.00 0.00 39.33 39.33 1sos h ASP 109 CO 0.00 0.34 0.28 1.41 -1.72 0.00 0.00 179.24 179.56 1sos n HIS 110 N -4.61 1.84 -2.72 4.55 8.25 -1.26 -4.97 115.22 116.30 1sos n HIS 110 Ca 0.19 -1.08 -0.41 0.00 -0.26 0.00 0.00 57.72 56.16 1sos n HIS 110 Cb 0.48 -0.60 -0.04 0.00 1.12 0.00 0.00 29.99 30.95 1sos n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1sos s SER 111 N -0.55 7.48 0.00 0.41 0.15 0.66 -2.21 113.70 119.64 1sos s SER 111 Ca 0.38 1.78 0.23 0.00 0.70 0.00 0.00 55.95 59.04 1sos s SER 111 Cb 0.31 -2.59 0.52 0.00 -1.71 0.00 0.00 66.02 62.55 1sos s SER 111 CO 0.09 -0.10 1.44 2.30 1.20 0.00 0.00 173.24 178.17 1sos n ILE 112 N 2.95 0.32 -1.84 6.45 -5.35 -0.82 -4.89 119.36 116.17 1sos n ILE 112 Ca 0.03 -0.57 -0.41 0.00 -0.27 0.00 0.00 62.75 61.53 1sos n ILE 112 Cb 0.49 0.85 -0.01 0.00 -1.74 0.00 0.00 39.64 39.24 1sos n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1sos s ILE 113 N -1.68 2.17 0.00 7.28 -1.09 -1.26 -1.59 121.20 125.03 1sos s ILE 113 Ca 0.35 0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.93 1sos s ILE 113 Cb 0.21 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.99 1sos s ILE 113 CO 0.30 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 1sos n GLY 114 N 1.19 0.62 3.38 6.18 0.00 0.39 -4.95 105.19 111.99 1sos n GLY 114 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 1sos n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sos n ARG 115 N -2.01 0.69 -4.15 1.61 1.74 -0.62 -2.95 116.66 110.98 1sos n ARG 115 Ca 0.00 -2.80 -0.35 0.00 -0.77 0.00 0.00 57.85 53.94 1sos n ARG 115 Cb 0.04 -0.07 -0.12 0.00 -1.02 0.00 0.00 32.46 31.29 1sos n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1sos s THR 116 N -2.20 3.98 0.05 0.55 2.01 -1.13 0.16 115.64 119.06 1sos s THR 116 Ca 0.46 -0.31 -0.24 0.00 0.31 0.00 0.00 61.69 61.91 1sos s THR 116 Cb -0.04 -2.79 -0.06 0.00 0.01 0.00 0.00 72.50 69.63 1sos s THR 116 CO 0.29 0.44 0.71 -0.22 -0.69 0.00 0.00 174.62 175.16 1sos s LEU 117 N 0.82 4.47 -0.03 4.42 2.96 -0.29 -0.47 118.68 130.56 1sos s LEU 117 Ca 0.00 1.40 0.04 0.00 -0.22 0.00 0.00 54.13 55.35 1sos s LEU 117 Cb -0.14 -3.15 -0.00 0.00 0.50 0.00 0.00 46.19 43.40 1sos s LEU 117 CO 0.02 0.09 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.30 1sos s VAL 118 N -0.34 1.16 -0.13 1.68 1.01 0.25 -1.77 120.40 122.26 1sos s VAL 118 Ca 0.36 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.75 1sos s VAL 118 Cb -0.20 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1sos s VAL 118 CO 0.22 0.34 -0.13 0.54 0.00 0.00 0.00 175.10 176.07 1sos s VAL 119 N -0.02 3.05 0.52 2.92 0.11 -0.50 -1.44 120.40 125.04 1sos s VAL 119 Ca -0.01 -0.66 0.03 0.00 -2.93 0.00 0.00 61.98 58.41 1sos s VAL 119 Cb -0.09 -2.28 0.03 0.00 -1.53 0.00 0.00 36.38 32.50 1sos s VAL 119 CO 0.01 0.52 0.72 -1.00 -3.33 0.00 0.00 175.10 172.02 1sos s HIS 120 N 0.38 2.86 0.26 1.54 3.76 -0.13 -0.98 115.29 122.99 1sos s HIS 120 Ca -0.11 -0.09 0.03 0.00 -0.15 0.00 0.00 55.06 54.74 1sos s HIS 120 Cb -0.16 -2.65 0.35 0.00 1.11 0.00 0.00 32.58 31.24 1sos s HIS 120 CO 0.05 -0.75 1.65 1.49 -0.85 0.00 0.00 174.74 176.34 1sos h GLU 121 N 0.22 0.36 -5.06 1.40 4.81 -0.24 -3.38 114.58 112.68 1sos h GLU 121 Ca -0.42 -0.18 -0.59 0.00 -0.13 0.00 0.00 59.36 58.04 1sos h GLU 121 Cb 1.29 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.54 1sos h GLU 121 CO 0.51 0.72 -0.51 0.15 -0.73 0.00 0.00 179.01 179.15 1sos s LYS 122 N -4.15 2.01 0.46 1.92 1.02 -0.39 -4.96 119.74 115.66 1sos s LYS 122 Ca -0.05 -2.25 -0.20 0.00 0.02 0.00 0.00 55.97 53.49 1sos s LYS 122 Cb 0.13 -0.78 -0.10 0.00 -0.52 0.00 0.00 37.83 36.56 1sos s LYS 122 CO 0.79 -0.48 0.97 0.00 -0.92 0.00 0.00 175.35 175.72 1sos s ALA 123 N -3.13 3.02 -0.22 5.17 0.00 -1.25 -0.97 121.76 124.37 1sos s ALA 123 Ca 0.19 0.36 -0.19 0.00 0.00 0.00 0.00 51.96 52.32 1sos s ALA 123 Cb 0.02 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 1sos s ALA 123 CO 0.12 -0.04 0.58 0.34 0.00 0.00 0.00 175.76 176.76 1sos s ASP 124 N -2.42 6.57 0.00 0.00 -1.08 -1.26 -3.60 116.67 114.89 1sos s ASP 124 Ca 0.62 0.70 0.26 0.00 -0.52 0.00 0.00 52.55 53.60 1sos s ASP 124 Cb -0.10 -2.32 1.39 0.00 -1.46 0.00 0.00 42.92 40.44 1sos s ASP 124 CO 0.19 -0.27 1.88 -0.90 0.52 0.00 0.00 175.17 176.59 1sos n ASP 125 N 5.23 0.00 -2.01 -0.34 5.68 -0.00 -4.93 116.55 120.18 1sos n ASP 125 Ca -0.03 -0.36 -0.15 0.00 -0.50 0.00 0.00 54.79 53.75 1sos n ASP 125 Cb 0.50 -0.18 0.02 0.00 -1.14 0.00 0.00 41.12 40.32 1sos n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sos n LEU 126 N -1.18 -2.19 0.00 -2.12 4.77 -1.26 -2.33 117.00 112.69 1sos n LEU 126 Ca 0.15 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1sos n LEU 126 Cb 0.16 -2.16 0.00 0.00 -2.33 0.00 0.00 43.42 39.09 1sos n LEU 126 CO 0.18 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1sos n GLY 127 N -1.23 1.11 1.52 -0.72 0.00 -1.24 -3.75 105.19 100.89 1sos n GLY 127 Ca -0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.03 1sos n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sos n LYS 128 N -2.00 3.44 0.00 1.61 5.02 -0.98 -4.47 118.16 120.78 1sos n LYS 128 Ca 0.00 -2.77 0.15 0.00 -2.02 0.00 0.00 58.31 53.66 1sos n LYS 128 Cb 0.00 -1.81 0.71 0.00 -0.02 0.00 0.00 35.03 33.91 1sos n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sos n GLY 129 N 1.28 -1.21 2.01 0.72 0.00 -1.26 -4.92 105.19 101.81 1sos n GLY 129 Ca 0.25 -0.18 -0.00 0.00 0.00 0.00 0.00 46.02 46.09 1sos n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sos n GLY 130 N 1.30 0.41 3.34 -0.02 0.00 -1.26 -5.00 105.19 103.95 1sos n GLY 130 Ca 0.14 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 45.04 1sos n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sos s ASN 131 N -2.86 1.39 0.01 1.61 2.20 -1.26 -5.07 114.94 110.96 1sos s ASN 131 Ca 0.00 -1.67 -0.02 0.00 -0.94 0.00 0.00 52.86 50.23 1sos s ASN 131 Cb 0.00 0.58 -0.01 0.00 -2.00 0.00 0.00 41.25 39.82 1sos s ASN 131 CO 0.00 -1.12 1.04 -0.33 -2.94 0.00 0.00 177.10 173.75 1sos h GLU 132 N 2.15 -0.06 -0.88 3.55 4.39 -2.01 -3.14 114.58 118.58 1sos h GLU 132 Ca -0.26 0.00 0.26 0.00 0.34 0.00 0.00 59.36 59.70 1sos h GLU 132 Cb 1.23 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.86 1sos h GLU 132 CO 0.38 -0.04 0.75 1.49 -1.16 0.00 0.00 179.01 180.43 1sos h GLU 133 N -0.06 0.00 0.00 2.33 4.57 -1.99 -0.67 114.58 118.75 1sos h GLU 133 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1sos h GLU 133 Cb 0.05 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1sos h GLU 133 CO -0.01 0.00 -0.05 1.03 -1.18 0.00 0.00 179.01 178.80 1sos h SER 134 N 0.00 0.00 -0.03 1.04 0.87 -1.86 0.24 113.55 113.81 1sos h SER 134 Ca 0.42 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1sos h SER 134 Cb 1.92 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.88 1sos h SER 134 CO -0.00 0.05 0.00 0.35 -0.53 0.00 0.00 176.83 176.70 1sos n THR 135 N -4.13 0.01 -0.05 2.23 -2.24 -0.26 -2.48 114.28 107.37 1sos n THR 135 Ca -0.03 -0.42 -0.06 0.00 -2.27 0.00 0.00 64.05 61.27 1sos n THR 135 Cb 0.14 1.15 -0.02 0.00 -2.10 0.00 0.00 70.33 69.50 1sos n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sos n LYS 136 N 0.96 0.36 0.00 -0.78 5.02 -0.50 -0.77 118.16 122.45 1sos n LYS 136 Ca 0.16 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1sos n LYS 136 Cb 0.52 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 1sos n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1sos n THR 137 N -4.02 0.00 -0.92 -0.18 -2.24 0.72 -4.60 114.28 103.03 1sos n THR 137 Ca -0.09 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1sos n THR 137 Cb 0.35 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 1sos n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sos n GLY 138 N 0.47 0.42 2.42 3.38 0.00 -0.72 -3.08 105.19 108.10 1sos n GLY 138 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1sos n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sos n ASN 139 N -0.24 -4.80 0.25 1.61 3.02 -1.25 -0.82 115.26 113.03 1sos n ASN 139 Ca 0.00 0.33 0.18 0.00 -0.03 0.00 0.00 54.58 55.06 1sos n ASN 139 Cb 0.12 -3.68 0.89 0.00 -0.61 0.00 0.00 39.78 36.50 1sos n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sos h ALA 140 N 0.09 1.58 0.00 5.41 0.00 -1.60 -3.45 119.26 121.29 1sos h ALA 140 Ca -0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1sos h ALA 140 Cb 1.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1sos h ALA 140 CO 0.45 -0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.84 1sos n GLY 141 N -1.31 -0.71 3.61 0.00 0.00 -1.26 -1.26 105.19 104.25 1sos n GLY 141 Ca 0.00 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 1sos n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sos n SER 142 N 0.53 0.29 -4.39 1.61 7.64 -1.26 -4.50 113.62 113.55 1sos n SER 142 Ca 0.00 0.61 -0.45 0.00 1.01 0.00 0.00 58.87 60.05 1sos n SER 142 Cb 0.00 -1.40 -0.05 0.00 -1.01 0.00 0.00 64.21 61.75 1sos n SER 142 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1sos s ARG 143 N -3.52 3.06 -0.01 1.43 0.52 -1.26 0.12 118.95 119.28 1sos s ARG 143 Ca 0.71 -1.25 -0.24 0.00 -0.52 0.00 0.00 55.73 54.44 1sos s ARG 143 Cb -0.32 -4.23 -0.19 0.00 0.52 0.00 0.00 34.95 30.72 1sos s ARG 143 CO 0.52 -1.47 1.20 -0.07 0.02 0.00 0.00 175.30 175.50 1sos h LEU 144 N 9.89 0.21 -8.07 2.53 3.38 -1.33 -3.46 115.31 118.45 1sos h LEU 144 Ca -0.29 -0.59 -0.12 0.00 0.09 0.00 0.00 57.88 56.97 1sos h LEU 144 Cb 1.09 -0.06 -0.16 0.00 0.09 0.00 0.00 40.66 41.62 1sos h LEU 144 CO 1.07 0.76 -0.58 0.00 0.09 0.00 0.00 178.44 179.78 1sos s ALA 145 N -3.84 0.22 0.32 1.53 0.00 -1.18 -3.99 121.76 114.82 1sos s ALA 145 Ca -0.15 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 50.76 1sos s ALA 145 Cb 0.02 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.47 1sos s ALA 145 CO 0.72 -0.38 0.61 0.00 0.00 0.00 0.00 175.76 176.71 1sos s GLY 147 N -3.08 0.08 0.32 0.00 0.00 -0.73 -1.28 107.32 102.63 1sos s GLY 147 Ca 0.21 2.92 -0.27 0.00 0.00 0.00 0.00 44.72 47.58 1sos s GLY 147 CO 0.13 1.52 1.02 0.14 0.00 0.00 0.00 173.10 175.91 1sos s VAL 148 N -0.44 3.81 -0.20 1.40 1.01 -1.26 -1.14 120.40 123.59 1sos s VAL 148 Ca 0.06 1.62 -0.23 0.00 0.00 0.00 0.00 61.98 63.42 1sos s VAL 148 Cb -0.03 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1sos s VAL 148 CO -0.09 0.23 0.74 -0.63 0.00 0.00 0.00 175.10 175.35 1sos s ILE 149 N -1.41 4.94 0.42 2.22 1.01 0.12 -4.51 121.20 123.99 1sos s ILE 149 Ca 0.49 1.41 0.07 0.00 0.00 0.00 0.00 60.65 62.61 1sos s ILE 149 Cb -0.25 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.11 1sos s ILE 149 CO 0.32 0.04 0.08 -0.83 0.00 0.00 0.00 174.94 174.55 1sos s GLY 150 N 1.23 2.48 0.28 6.18 0.00 -0.16 -0.46 107.32 116.88 1sos s GLY 150 Ca 0.33 -2.10 -0.29 0.00 0.00 0.00 0.00 44.72 42.66 1sos s GLY 150 CO 0.10 -2.04 1.07 -0.42 0.00 0.00 0.00 173.10 171.81 1sos s ILE 151 N -2.68 3.60 0.20 0.90 1.01 -1.26 -1.84 121.20 121.13 1sos s ILE 151 Ca 0.35 1.59 0.11 0.00 0.00 0.00 0.00 60.65 62.70 1sos s ILE 151 Cb 0.07 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1sos s ILE 151 CO 0.19 0.36 -0.23 0.00 0.00 0.00 0.00 174.94 175.26 1sos s ALA 152 N -1.20 2.46 -2.18 9.38 0.00 -0.72 -4.79 121.76 124.70 1sos s ALA 152 Ca 0.45 -1.64 0.31 0.00 0.00 0.00 0.00 51.96 51.07 1sos s ALA 152 Cb -0.30 -0.30 1.60 0.00 0.00 0.00 0.00 23.12 24.12 1sos s ALA 152 CO 0.39 0.38 2.05 0.94 0.00 0.00 0.00 175.76 179.52