#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sos n THR 2 N 0.00 1.37 -4.39 0.00 -2.24 -1.26 -4.50 114.28 103.27 1sos n THR 2 Ca 0.00 -0.67 -0.28 0.00 -2.27 0.00 0.00 64.05 60.82 1sos n THR 2 Cb 0.00 -0.95 -0.13 0.00 -2.10 0.00 0.00 70.33 67.15 1sos n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sos s LYS 3 N -2.48 1.38 0.10 -0.78 1.02 -1.26 0.19 119.74 117.91 1sos s LYS 3 Ca -0.22 -1.32 -0.05 0.00 0.02 0.00 0.00 55.97 54.39 1sos s LYS 3 Cb 0.07 -1.84 -0.02 0.00 -0.52 0.00 0.00 37.83 35.52 1sos s LYS 3 CO 0.68 0.44 0.12 0.00 -0.92 0.00 0.00 175.35 175.67 1sos s ALA 4 N -1.07 0.23 0.05 5.17 0.00 -0.71 -2.73 121.76 122.70 1sos s ALA 4 Ca 0.13 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 1sos s ALA 4 Cb -0.10 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 1sos s ALA 4 CO 0.06 -0.49 -0.03 0.54 0.00 0.00 0.00 175.76 175.83 1sos s VAL 5 N -3.93 0.23 -0.08 0.00 0.11 -0.56 -1.31 120.40 114.85 1sos s VAL 5 Ca 0.12 -1.73 -0.03 0.00 -2.93 0.00 0.00 61.98 57.40 1sos s VAL 5 Cb 0.06 -1.41 0.05 0.00 -1.53 0.00 0.00 36.38 33.55 1sos s VAL 5 CO -0.06 -0.95 0.16 0.00 -3.33 0.00 0.00 175.10 170.92 1sos s ALA 6 N -3.67 -0.17 0.03 1.54 0.00 -0.67 -0.91 121.76 117.91 1sos s ALA 6 Ca 0.05 0.57 -0.25 0.00 0.00 0.00 0.00 51.96 52.33 1sos s ALA 6 Cb 0.06 -0.78 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 1sos s ALA 6 CO -0.09 -0.52 0.79 0.08 0.00 0.00 0.00 175.76 176.02 1sos s VAL 7 N 2.17 4.77 -0.18 0.00 1.01 -1.26 -1.37 120.40 125.54 1sos s VAL 7 Ca 0.02 1.67 -0.06 0.00 0.00 0.00 0.00 61.98 63.60 1sos s VAL 7 Cb -0.12 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1sos s VAL 7 CO -0.06 0.33 0.04 -0.76 0.00 0.00 0.00 175.10 174.65 1sos s LEU 8 N 0.14 3.63 -0.08 3.92 1.02 0.12 -3.63 118.68 123.79 1sos s LEU 8 Ca 0.40 -0.00 -0.23 0.00 0.02 0.00 0.00 54.13 54.32 1sos s LEU 8 Cb -0.20 -1.91 0.05 0.00 0.02 0.00 0.00 46.19 44.15 1sos s LEU 8 CO 0.23 0.15 0.53 -0.75 0.02 0.00 0.00 176.35 176.53 1sos s LYS 9 N 0.48 0.82 0.12 1.70 2.20 -0.91 -2.08 119.74 122.07 1sos s LYS 9 Ca 0.01 0.26 0.03 0.00 -0.36 0.00 0.00 55.97 55.91 1sos s LYS 9 Cb -0.13 0.38 -0.01 0.00 -1.51 0.00 0.00 37.83 36.56 1sos s LYS 9 CO 0.01 -0.21 0.09 0.41 -0.36 0.00 0.00 175.35 175.29 1sos n GLY 10 N 1.55 3.66 3.55 5.54 0.00 -1.11 -1.99 105.19 116.40 1sos n GLY 10 Ca -0.18 -1.77 -0.37 0.00 0.00 0.00 0.00 46.02 43.69 1sos n GLY 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sos s ASP 11 N -1.81 5.82 0.00 1.61 -1.08 -1.26 -4.74 116.67 115.21 1sos s ASP 11 Ca 0.13 -0.56 0.00 0.00 -0.52 0.00 0.00 52.55 51.60 1sos s ASP 11 Cb 0.01 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1sos s ASP 11 CO 0.09 -2.07 0.00 0.61 0.52 0.00 0.00 175.17 174.32 1sos n GLY 12 N 6.14 0.17 0.19 2.66 0.00 -1.26 -4.86 105.19 108.23 1sos n GLY 12 Ca 0.22 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.29 1sos n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1sos h PRO 13 N 0.00 0.59 -6.30 1.61 0.11 -1.88 -3.43 132.00 122.70 1sos h PRO 13 Ca 0.00 -0.13 -0.54 0.00 0.11 0.00 0.00 66.00 65.44 1sos h PRO 13 Cb 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1sos h PRO 13 CO 0.00 0.60 1.16 0.08 -0.21 0.00 0.00 178.00 179.63 1sos s VAL 14 N -5.39 3.34 0.02 3.15 1.01 -1.26 -4.60 120.40 116.67 1sos s VAL 14 Ca -0.13 0.41 -0.17 0.00 0.00 0.00 0.00 61.98 62.09 1sos s VAL 14 Cb 0.10 -3.27 0.03 0.00 0.00 0.00 0.00 36.38 33.24 1sos s VAL 14 CO 0.76 -0.04 0.36 0.00 0.00 0.00 0.00 175.10 176.18 1sos s GLN 15 N 4.29 0.81 0.00 2.72 -2.07 -1.09 -2.76 119.66 121.55 1sos s GLN 15 Ca 0.80 -0.29 0.00 0.00 -1.82 0.00 0.00 55.36 54.05 1sos s GLN 15 Cb -0.37 0.36 0.00 0.00 -1.09 0.00 0.00 33.01 31.91 1sos s GLN 15 CO 0.35 -0.25 0.00 0.41 -1.32 0.00 0.00 175.29 174.47 1sos n GLY 16 N 0.84 0.58 3.17 2.60 0.00 -0.88 -1.34 105.19 110.15 1sos n GLY 16 Ca -0.20 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 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 2.23 -0.01 -0.61 1.01 -1.09 0.13 121.20 120.85 1sos s ILE 17 Ca 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.74 1sos s ILE 17 Cb 0.00 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 1sos s ILE 17 CO 0.00 0.53 0.08 -0.63 0.00 0.00 0.00 174.94 174.92 1sos s ILE 18 N 1.10 4.73 0.20 2.92 -1.09 -0.47 -3.03 121.20 125.54 1sos s ILE 18 Ca -0.00 -0.38 0.09 0.00 -2.23 0.00 0.00 60.65 58.13 1sos s ILE 18 Cb -0.14 -3.15 -0.04 0.00 -1.58 0.00 0.00 42.46 37.55 1sos s ILE 18 CO -0.07 0.37 -0.09 0.20 -1.23 0.00 0.00 174.94 174.13 1sos s ASN 19 N -1.66 4.27 -0.01 3.58 -0.87 0.14 -1.67 114.94 118.72 1sos s ASN 19 Ca 0.22 -0.61 0.01 0.00 -1.57 0.00 0.00 52.86 50.91 1sos s ASN 19 Cb -0.12 -0.72 0.00 0.00 -0.02 0.00 0.00 41.25 40.39 1sos s ASN 19 CO 0.13 0.09 -0.02 -0.36 -2.57 0.00 0.00 177.10 174.36 1sos s PHE 20 N -1.83 0.25 -0.08 2.20 0.40 -0.43 -2.13 117.98 116.36 1sos s PHE 20 Ca 0.26 -0.04 -0.03 0.00 -0.60 0.00 0.00 56.93 56.52 1sos s PHE 20 Cb -0.08 -0.19 0.05 0.00 0.51 0.00 0.00 43.02 43.31 1sos s PHE 20 CO 0.16 -0.02 0.17 -2.00 0.70 0.00 0.00 175.22 174.23 1sos s GLU 21 N 0.07 0.06 -0.61 0.44 2.12 -0.74 -1.73 118.70 118.31 1sos s GLU 21 Ca -0.00 0.52 -0.00 0.00 0.36 0.00 0.00 54.97 55.85 1sos s GLU 21 Cb -0.03 -0.23 0.15 0.00 0.26 0.00 0.00 34.13 34.29 1sos s GLU 21 CO -0.00 -0.26 0.40 -1.14 -0.54 0.00 0.00 175.26 173.71 1sos s GLN 22 N 1.97 2.41 0.49 4.30 0.74 0.13 -0.82 119.66 128.88 1sos s GLN 22 Ca -0.01 -2.63 0.38 0.00 0.05 0.00 0.00 55.36 53.15 1sos s GLN 22 Cb -0.12 -3.60 1.54 0.00 1.10 0.00 0.00 33.01 31.94 1sos s GLN 22 CO -0.06 -1.16 1.64 0.87 -0.55 0.00 0.00 175.29 176.02 1sos h LYS 23 N 6.74 0.05 -2.19 1.67 1.79 -1.81 -3.40 116.57 119.42 1sos h LYS 23 Ca -0.02 -0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.39 1sos h LYS 23 Cb 0.92 -0.01 -0.22 0.00 -1.58 0.00 0.00 32.23 31.34 1sos h LYS 23 CO 0.71 0.03 0.02 -1.83 -1.08 0.00 0.00 179.45 177.30 1sos s GLU 24 N -5.11 0.72 0.25 3.15 -1.05 -1.26 -5.05 118.70 110.35 1sos s GLU 24 Ca -0.06 0.93 0.19 0.00 -0.15 0.00 0.00 54.97 55.87 1sos s GLU 24 Cb 0.28 0.32 0.82 0.00 -0.44 0.00 0.00 34.13 35.11 1sos s GLU 24 CO 0.84 -0.10 0.83 -1.13 0.95 0.00 0.00 175.26 176.66 1sos n SER 25 N 3.00 0.09 -0.34 0.83 3.41 -1.26 0.17 113.62 119.52 1sos n SER 25 Ca -0.15 0.70 0.09 0.00 -0.26 0.00 0.00 58.87 59.25 1sos n SER 25 Cb 0.56 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 1sos n SER 25 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1sos n ASN 26 N -3.59 1.60 -5.01 4.04 0.23 -1.26 -4.83 115.26 106.44 1sos n ASN 26 Ca 0.22 -1.30 -0.21 0.00 -0.53 0.00 0.00 54.58 52.76 1sos n ASN 26 Cb 0.89 0.56 0.05 0.00 -2.08 0.00 0.00 39.78 39.20 1sos n ASN 26 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1sos s GLY 27 N -2.17 1.86 0.27 4.83 0.00 0.13 -5.08 107.32 107.17 1sos s GLY 27 Ca 0.13 -1.96 -0.30 0.00 0.00 0.00 0.00 44.72 42.59 1sos s GLY 27 CO 0.50 -1.75 1.36 -1.55 0.00 0.00 0.00 173.10 171.66 1sos n PRO 28 N -2.16 2.03 -3.40 2.90 -0.04 -1.26 -4.86 135.00 128.22 1sos n PRO 28 Ca 0.12 0.72 -0.38 0.00 -0.04 0.00 0.00 63.50 63.92 1sos n PRO 28 Cb 0.62 -2.35 -0.08 0.00 -0.04 0.00 0.00 33.50 31.66 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 -0.35 5.20 -0.46 0.52 1.01 -0.30 -3.97 120.40 122.05 1sos s VAL 29 Ca 0.65 0.67 -0.24 0.00 0.00 0.00 0.00 61.98 63.05 1sos s VAL 29 Cb -0.63 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.06 1sos s VAL 29 CO 0.53 0.24 0.86 -0.54 0.00 0.00 0.00 175.10 176.19 1sos s LYS 30 N 1.43 3.45 -0.28 2.72 1.02 -0.00 -1.29 119.74 126.79 1sos s LYS 30 Ca 0.18 -0.01 -0.07 0.00 0.02 0.00 0.00 55.97 56.10 1sos s LYS 30 Cb -0.15 -3.94 -0.00 0.00 -0.52 0.00 0.00 37.83 33.22 1sos s LYS 30 CO 0.08 -1.19 0.07 0.54 -0.92 0.00 0.00 175.35 173.93 1sos s VAL 31 N 3.54 3.99 0.46 3.17 0.11 0.79 -1.79 120.40 130.66 1sos s VAL 31 Ca 0.33 -0.56 0.02 0.00 -2.93 0.00 0.00 61.98 58.84 1sos s VAL 31 Cb -0.11 -3.00 -0.01 0.00 -1.53 0.00 0.00 36.38 31.73 1sos s VAL 31 CO 0.24 0.16 0.09 -2.67 -3.33 0.00 0.00 175.10 169.59 1sos n TRP 32 N 4.87 0.57 -0.07 1.54 2.14 -0.90 -0.21 117.44 125.39 1sos n TRP 32 Ca -0.15 -2.62 0.00 0.00 2.07 0.00 0.00 57.50 56.80 1sos n TRP 32 Cb 0.49 -0.14 0.00 0.00 -0.81 0.00 0.00 31.31 30.85 1sos n TRP 32 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1sos n GLY 33 N -0.98 0.96 3.32 -1.67 0.00 -1.00 -0.69 105.19 105.13 1sos n GLY 33 Ca -0.12 -1.87 -0.14 0.00 0.00 0.00 0.00 46.02 43.88 1sos n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sos s SER 34 N -4.00 -0.33 -0.02 1.61 0.15 -1.17 -0.97 113.70 108.96 1sos s SER 34 Ca 0.00 0.34 0.02 0.00 0.70 0.00 0.00 55.95 57.01 1sos s SER 34 Cb 0.00 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.76 1sos s SER 34 CO 0.00 -0.44 -0.06 -0.63 1.20 0.00 0.00 173.24 173.31 1sos s ILE 35 N -1.07 0.53 0.33 6.45 1.01 -0.27 -2.69 121.20 125.49 1sos s ILE 35 Ca -0.11 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.35 1sos s ILE 35 Cb -0.04 -0.49 -0.05 0.00 0.01 0.00 0.00 42.46 41.89 1sos s ILE 35 CO 0.05 0.18 0.09 -1.59 0.00 0.00 0.00 174.94 173.67 1sos s LYS 36 N 0.26 1.68 0.00 2.79 -2.85 -0.45 -0.29 119.74 120.88 1sos s LYS 36 Ca -0.03 -1.96 0.00 0.00 -1.00 0.00 0.00 55.97 52.98 1sos s LYS 36 Cb -0.07 -0.64 0.00 0.00 -2.06 0.00 0.00 37.83 35.05 1sos s LYS 36 CO -0.00 -0.30 0.00 0.41 0.10 0.00 0.00 175.35 175.56 1sos n GLY 37 N -0.70 0.40 3.95 0.59 0.00 -1.21 -2.68 105.19 105.54 1sos n GLY 37 Ca -0.03 -1.07 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 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 3.25 0.07 0.99 2.01 -0.56 -4.11 118.68 120.32 1sos s LEU 38 Ca 0.00 0.24 -0.22 0.00 0.01 0.00 0.00 54.13 54.16 1sos s LEU 38 Cb 0.00 -3.06 -0.06 0.00 0.01 0.00 0.00 46.19 43.07 1sos s LEU 38 CO 0.00 -1.14 0.65 0.42 1.01 0.00 0.00 176.35 177.29 1sos s THR 39 N -2.85 4.71 0.27 5.49 -4.23 -1.26 -3.81 115.64 113.95 1sos s THR 39 Ca 0.56 1.39 -0.29 0.00 -1.18 0.00 0.00 61.69 62.16 1sos s THR 39 Cb -0.10 -3.99 -0.14 0.00 1.34 0.00 0.00 72.50 69.61 1sos s THR 39 CO 0.40 0.48 1.17 -1.84 -0.54 0.00 0.00 174.62 174.29 1sos n GLU 40 N 2.14 1.61 0.00 3.99 0.28 -1.26 -4.59 120.64 122.81 1sos n GLU 40 Ca -0.07 0.57 0.00 0.00 -0.16 0.00 0.00 57.16 57.50 1sos n GLU 40 Cb 0.50 -2.06 0.00 0.00 1.43 0.00 0.00 31.44 31.32 1sos n GLU 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1sos n GLY 41 N 1.44 0.42 3.76 -1.84 0.00 -0.32 -4.88 105.19 103.77 1sos n GLY 41 Ca 0.10 -2.28 -0.40 0.00 0.00 0.00 0.00 46.02 43.44 1sos n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sos s LEU 42 N 0.00 4.58 -0.08 0.99 1.02 -1.26 0.14 118.68 124.06 1sos s LEU 42 Ca 0.00 2.14 -0.04 0.00 0.02 0.00 0.00 54.13 56.26 1sos s LEU 42 Cb 0.00 -3.63 0.04 0.00 0.02 0.00 0.00 46.19 42.62 1sos s LEU 42 CO 0.00 -0.03 0.18 -1.00 0.02 0.00 0.00 176.35 175.51 1sos s HIS 43 N -1.18 -0.22 0.81 0.29 3.76 0.19 -3.31 115.29 115.63 1sos s HIS 43 Ca 0.43 0.60 -0.14 0.00 -0.15 0.00 0.00 55.06 55.81 1sos s HIS 43 Cb -0.29 -0.08 0.06 0.00 1.11 0.00 0.00 32.58 33.37 1sos s HIS 43 CO 0.37 -0.21 1.02 0.41 -0.85 0.00 0.00 174.74 175.48 1sos n GLY 44 N 4.49 -0.44 3.07 -2.22 0.00 0.12 -0.70 105.19 109.51 1sos n GLY 44 Ca -0.21 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.12 -0.57 0.03 1.61 5.36 -0.79 -1.16 117.98 120.34 1sos s PHE 45 Ca 0.71 1.10 -0.00 0.00 -0.96 0.00 0.00 56.93 57.77 1sos s PHE 45 Cb -0.29 0.06 -0.03 0.00 -0.34 0.00 0.00 43.02 42.42 1sos s PHE 45 CO 0.54 -0.45 -0.03 -1.01 -1.46 0.00 0.00 175.22 172.81 1sos s HIS 46 N 2.49 0.38 -0.27 10.12 3.76 -0.38 -3.25 115.29 128.14 1sos s HIS 46 Ca 0.02 -0.70 -0.21 0.00 -0.15 0.00 0.00 55.06 54.02 1sos s HIS 46 Cb -0.13 -0.27 -0.01 0.00 1.11 0.00 0.00 32.58 33.28 1sos s HIS 46 CO -0.11 -0.24 0.64 0.08 -0.85 0.00 0.00 174.74 174.27 1sos s VAL 47 N -2.24 4.96 0.06 -0.90 1.01 0.43 -0.40 120.40 123.32 1sos s VAL 47 Ca -0.08 1.07 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1sos s VAL 47 Cb -0.04 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1sos s VAL 47 CO -0.04 -0.03 0.19 -1.00 0.00 0.00 0.00 175.10 174.22 1sos s HIS 48 N 2.56 3.48 0.25 5.22 3.76 0.65 -1.22 115.29 130.00 1sos s HIS 48 Ca 0.26 0.23 -0.06 0.00 -0.15 0.00 0.00 55.06 55.35 1sos s HIS 48 Cb -0.15 -1.74 0.26 0.00 1.11 0.00 0.00 32.58 32.06 1sos s HIS 48 CO 0.10 0.58 1.87 1.49 -0.85 0.00 0.00 174.74 177.93 1sos h GLU 49 N 3.13 1.20 -5.95 1.40 4.81 -0.58 -2.56 114.58 116.02 1sos h GLU 49 Ca -0.45 -0.14 -0.61 0.00 -0.13 0.00 0.00 59.36 58.02 1sos h GLU 49 Cb 1.16 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 30.26 1sos h GLU 49 CO 0.75 0.88 -0.43 -0.06 -0.73 0.00 0.00 179.01 179.42 1sos s PHE 50 N -5.79 3.53 -0.76 0.92 0.08 -0.31 -4.67 117.98 110.97 1sos s PHE 50 Ca -0.12 0.42 -0.02 0.00 0.12 0.00 0.00 56.93 57.33 1sos s PHE 50 Cb 0.17 -1.89 0.40 0.00 -0.57 0.00 0.00 43.02 41.13 1sos s PHE 50 CO 0.82 0.57 2.02 0.41 -0.10 0.00 0.00 175.22 178.93 1sos n GLY 51 N 0.55 5.70 3.38 4.36 0.00 -1.19 -2.66 105.19 115.33 1sos n GLY 51 Ca -0.07 -2.41 -0.36 0.00 0.00 0.00 0.00 46.02 43.18 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 -1.47 4.90 -0.20 1.61 -1.08 -1.26 -4.91 116.67 114.25 1sos s ASP 52 Ca 0.58 -0.39 0.12 0.00 -0.52 0.00 0.00 52.55 52.34 1sos s ASP 52 Cb 0.47 -1.86 0.41 0.00 -1.46 0.00 0.00 42.92 40.48 1sos s ASP 52 CO -0.23 -0.07 1.21 0.59 0.52 0.00 0.00 175.17 177.19 1sos n ASN 53 N 4.87 1.78 -0.31 -0.34 5.03 -1.26 -2.95 115.26 122.07 1sos n ASN 53 Ca -0.16 -3.81 -0.04 0.00 0.87 0.00 0.00 54.58 51.44 1sos n ASN 53 Cb 0.50 -0.52 0.08 0.00 -1.02 0.00 0.00 39.78 38.82 1sos n ASN 53 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1sos h THR 54 N 0.92 1.25 -0.67 3.41 1.35 -1.93 -2.46 112.91 114.77 1sos h THR 54 Ca -0.00 -0.61 -0.36 0.00 -0.55 0.00 0.00 66.41 64.89 1sos h THR 54 Cb 1.00 0.11 -0.21 0.00 -1.73 0.00 0.00 68.15 67.32 1sos h THR 54 CO 0.00 0.28 0.25 0.00 -0.25 0.00 0.00 175.52 175.80 1sos n ALA 55 N -2.39 5.00 -0.23 6.62 0.00 -1.26 -5.06 120.51 123.19 1sos n ALA 55 Ca 0.09 -3.09 0.00 0.00 0.00 0.00 0.00 53.44 50.44 1sos n ALA 55 Cb 0.09 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.12 -0.28 0.11 0.00 0.00 -0.93 -3.68 105.19 99.30 1sos n GLY 56 Ca 0.46 -1.05 0.09 0.00 0.00 0.00 0.00 46.02 45.53 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 1.35 0.00 0.00 2.02 -1.88 -2.76 112.91 111.63 1sos h THR 58 Ca 0.00 -1.88 0.00 0.00 0.77 0.00 0.00 66.41 65.30 1sos h THR 58 Cb 0.19 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1sos h THR 58 CO 0.00 0.57 0.00 -1.54 0.37 0.00 0.00 175.52 174.92 1sos n SER 59 N -3.92 0.00 0.28 4.18 3.41 -1.12 -2.14 113.62 114.30 1sos n SER 59 Ca -0.03 -0.06 0.18 0.00 -0.26 0.00 0.00 58.87 58.70 1sos n SER 59 Cb 0.62 -0.24 0.73 0.00 -0.26 0.00 0.00 64.21 65.06 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 2.86 1.00 -0.59 7.33 0.00 -1.37 -3.39 119.26 125.10 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 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 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 -0.08 1.98 3.94 0.00 0.00 -0.91 -1.16 105.19 108.95 1sos n GLY 61 Ca 0.00 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 1sos n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sos s PRO 62 N 0.00 1.28 0.23 1.61 0.04 -1.26 -4.76 135.00 132.13 1sos s PRO 62 Ca 0.00 -0.47 -0.30 0.00 0.04 0.00 0.00 61.00 60.28 1sos s PRO 62 Cb 0.00 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 1sos s PRO 62 CO 0.00 -1.92 1.27 -1.01 0.04 0.00 0.00 177.00 175.39 1sos s HIS 63 N -3.59 3.28 -0.27 0.56 3.76 -1.26 -0.28 115.29 117.49 1sos s HIS 63 Ca 0.69 1.33 -0.30 0.00 -0.15 0.00 0.00 55.06 56.62 1sos s HIS 63 Cb -0.06 -3.56 -0.07 0.00 1.11 0.00 0.00 32.58 30.00 1sos s HIS 63 CO 0.49 -1.65 2.23 0.34 -0.85 0.00 0.00 174.74 175.30 1sos n PHE 64 N 2.19 1.82 -3.26 1.40 7.35 -0.36 -4.52 117.46 122.08 1sos n PHE 64 Ca 0.04 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.48 1sos n PHE 64 Cb 0.43 -2.66 -0.07 0.00 0.35 0.00 0.00 39.48 37.53 1sos n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1sos n ASN 65 N 11.34 2.71 0.25 -2.13 5.15 -1.26 -1.81 115.26 129.50 1sos n ASN 65 Ca 0.34 -3.25 0.17 0.00 -0.60 0.00 0.00 54.58 51.23 1sos n ASN 65 Cb 0.38 -0.64 0.87 0.00 -0.53 0.00 0.00 39.78 39.86 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 3.83 0.00 -0.10 1.20 0.13 -1.96 -2.70 132.00 132.40 1sos h PRO 66 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1sos h PRO 66 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1sos h PRO 66 CO 0.71 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.76 1sos n LEU 67 N -2.69 2.51 -3.71 1.56 4.77 -1.26 -5.03 117.00 113.15 1sos n LEU 67 Ca -0.02 -1.16 -0.30 0.00 -0.03 0.00 0.00 56.01 54.50 1sos n LEU 67 Cb 0.09 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1sos n LEU 67 CO 0.17 0.49 -0.26 -1.20 -1.33 0.00 0.00 177.39 175.25 1sos n SER 68 N 0.92 -5.02 -4.42 -1.43 7.64 -1.02 -5.03 113.62 105.26 1sos n SER 68 Ca 0.11 -0.71 -0.23 0.00 1.01 0.00 0.00 58.87 59.05 1sos n SER 68 Cb 0.42 -1.61 -0.10 0.00 -1.01 0.00 0.00 64.21 61.91 1sos n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1sos s ARG 69 N -4.13 1.73 0.76 1.43 1.81 -1.26 -5.13 118.95 114.16 1sos s ARG 69 Ca 0.13 -1.99 -0.01 0.00 -1.72 0.00 0.00 55.73 52.14 1sos s ARG 69 Cb -0.01 -0.90 0.15 0.00 -0.45 0.00 0.00 34.95 33.73 1sos s ARG 69 CO 0.89 -0.23 1.04 0.15 -0.68 0.00 0.00 175.30 176.47 1sos s LYS 70 N -3.85 1.47 0.22 3.54 -0.14 -1.26 -4.61 119.74 115.11 1sos s LYS 70 Ca 0.33 -1.19 -0.30 0.00 -1.36 0.00 0.00 55.97 53.45 1sos s LYS 70 Cb 0.08 -2.30 -0.08 0.00 -1.68 0.00 0.00 37.83 33.84 1sos s LYS 70 CO 0.15 -1.61 0.95 -1.58 -0.76 0.00 0.00 175.35 172.49 1sos s HIS 71 N -3.22 3.96 0.00 3.18 5.04 -0.18 -1.75 115.29 122.31 1sos s HIS 71 Ca 0.68 1.90 0.00 0.00 -1.54 0.00 0.00 55.06 56.10 1sos s HIS 71 Cb -0.04 -3.00 0.00 0.00 0.04 0.00 0.00 32.58 29.58 1sos s HIS 71 CO 0.46 0.40 0.00 0.41 -2.34 0.00 0.00 174.74 173.67 1sos n GLY 72 N 1.61 5.11 3.35 1.59 0.00 -1.22 -4.36 105.19 111.27 1sos n GLY 72 Ca -0.01 -1.13 -0.18 0.00 0.00 0.00 0.00 46.02 44.70 1sos n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sos s GLY 73 N 0.00 1.76 0.45 -0.02 0.00 -1.20 -4.41 107.32 103.90 1sos s GLY 73 Ca 0.00 -1.88 0.23 0.00 0.00 0.00 0.00 44.72 43.07 1sos s GLY 73 CO 0.00 -1.66 1.66 -0.56 0.00 0.00 0.00 173.10 172.55 1sos h PRO 74 N 2.35 0.00 -1.40 2.90 0.13 -1.85 -1.13 132.00 133.00 1sos h PRO 74 Ca -0.39 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.19 1sos h PRO 74 Cb 1.24 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.95 1sos h PRO 74 CO 0.64 0.00 -0.81 1.63 -0.23 0.00 0.00 178.00 179.23 1sos n LYS 75 N -2.43 3.08 -4.38 0.86 4.01 -1.26 -4.97 118.16 113.07 1sos n LYS 75 Ca -0.02 -4.30 -0.27 0.00 -0.51 0.00 0.00 58.31 53.22 1sos n LYS 75 Cb 0.24 -2.09 -0.11 0.00 -0.51 0.00 0.00 35.03 32.55 1sos n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1sos s ASP 76 N -3.48 3.69 -0.03 4.39 1.11 -0.43 -5.03 116.67 116.89 1sos s ASP 76 Ca 0.45 -0.77 -0.15 0.00 0.18 0.00 0.00 52.55 52.26 1sos s ASP 76 Cb 0.41 -0.40 -0.32 0.00 1.07 0.00 0.00 42.92 43.67 1sos s ASP 76 CO -0.14 0.12 0.81 -0.08 1.18 0.00 0.00 175.17 177.05 1sos h GLU 77 N 3.12 0.42 -6.60 8.23 4.22 -1.93 -3.40 114.58 118.64 1sos h GLU 77 Ca -0.47 -0.72 -0.56 0.00 0.08 0.00 0.00 59.36 57.69 1sos h GLU 77 Cb 1.21 0.27 -0.06 0.00 0.50 0.00 0.00 28.75 30.67 1sos h GLU 77 CO 0.50 1.35 1.02 -2.00 -2.18 0.00 0.00 179.01 177.70 1sos s GLU 78 N -2.55 3.61 -0.07 1.92 2.56 -1.26 -4.91 118.70 118.00 1sos s GLU 78 Ca -0.14 0.77 -0.29 0.00 0.00 0.00 0.00 54.97 55.31 1sos s GLU 78 Cb 0.04 -3.99 0.10 0.00 2.00 0.00 0.00 34.13 32.29 1sos s GLU 78 CO 0.88 -1.52 0.87 -0.98 -0.56 0.00 0.00 175.26 173.94 1sos s ARG 79 N 4.80 0.81 0.31 4.30 1.70 -1.12 -3.37 118.95 126.38 1sos s ARG 79 Ca 0.56 -0.01 -0.27 0.00 -0.47 0.00 0.00 55.73 55.54 1sos s ARG 79 Cb -0.11 0.38 -0.09 0.00 -0.57 0.00 0.00 34.95 34.55 1sos s ARG 79 CO 0.32 -0.30 0.98 -1.01 -1.08 0.00 0.00 175.30 174.21 1sos s HIS 80 N -1.92 3.69 0.49 5.89 3.76 -0.72 -4.67 115.29 121.82 1sos s HIS 80 Ca -0.02 1.79 0.18 0.00 -0.15 0.00 0.00 55.06 56.87 1sos s HIS 80 Cb -0.01 -3.01 1.22 0.00 1.11 0.00 0.00 32.58 31.89 1sos s HIS 80 CO -0.01 0.06 2.02 0.28 -0.85 0.00 0.00 174.74 176.25 1sos h VAL 81 N 2.74 0.86 -0.11 -0.90 2.07 -1.80 -1.19 116.25 117.92 1sos h VAL 81 Ca -0.47 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1sos h VAL 81 Cb 1.20 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1sos h VAL 81 CO 0.66 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.89 1sos n GLY 82 N -1.57 0.72 3.42 2.17 0.00 -0.75 -4.30 105.19 104.89 1sos n GLY 82 Ca 0.07 -0.14 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.54 6.88 -0.23 1.61 1.01 -0.45 -0.43 116.67 124.53 1sos s ASP 83 Ca 0.08 -2.65 0.08 0.00 0.71 0.00 0.00 52.55 50.77 1sos s ASP 83 Cb 0.06 -2.35 0.56 0.00 1.01 0.00 0.00 42.92 42.20 1sos s ASP 83 CO 0.04 -0.79 1.51 0.18 0.21 0.00 0.00 175.17 176.32 1sos n LEU 84 N 5.37 4.92 0.00 1.23 4.77 -1.20 -3.10 117.00 128.99 1sos n LEU 84 Ca 0.26 -2.54 0.00 0.00 -0.03 0.00 0.00 56.01 53.70 1sos n LEU 84 Cb 0.46 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1sos n LEU 84 CO 0.51 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.84 1sos n GLY 85 N 0.05 2.32 3.75 -0.72 0.00 -1.25 -4.79 105.19 104.55 1sos n GLY 85 Ca 0.29 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 5.41 0.31 1.61 0.01 -1.26 -1.89 114.94 115.14 1sos s ASN 86 Ca 0.00 -0.03 0.09 0.00 -0.71 0.00 0.00 52.86 52.21 1sos s ASN 86 Cb 0.00 -1.43 -0.04 0.00 0.41 0.00 0.00 41.25 40.18 1sos s ASN 86 CO 0.00 0.19 0.07 0.68 -1.51 0.00 0.00 177.10 176.54 1sos s VAL 87 N -1.33 3.12 -0.02 1.60 -7.23 0.12 -4.95 120.40 111.72 1sos s VAL 87 Ca 0.27 -1.81 0.05 0.00 -1.81 0.00 0.00 61.98 58.68 1sos s VAL 87 Cb -0.12 -2.91 -0.01 0.00 0.56 0.00 0.00 36.38 33.90 1sos s VAL 87 CO 0.20 -0.25 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.69 1sos s THR 88 N -2.40 1.25 -0.16 5.32 2.01 -1.26 -0.63 115.64 119.76 1sos s THR 88 Ca 0.35 -0.66 -0.04 0.00 0.31 0.00 0.00 61.69 61.65 1sos s THR 88 Cb -0.03 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 1sos s THR 88 CO 0.21 0.36 -0.04 0.00 -0.69 0.00 0.00 174.62 174.46 1sos s ALA 89 N -0.27 3.00 1.41 7.40 0.00 0.12 -4.09 121.76 129.33 1sos s ALA 89 Ca 0.04 -0.83 -0.21 0.00 0.00 0.00 0.00 51.96 50.96 1sos s ALA 89 Cb -0.07 -1.57 0.36 0.00 0.00 0.00 0.00 23.12 21.84 1sos s ALA 89 CO -0.00 0.19 0.92 -0.40 0.00 0.00 0.00 175.76 176.47 1sos n ASP 90 N 3.57 -3.53 0.16 0.00 5.68 -0.34 -1.18 116.55 120.92 1sos n ASP 90 Ca -0.17 -0.68 0.19 0.00 -0.50 0.00 0.00 54.79 53.62 1sos n ASP 90 Cb 0.52 -1.08 0.78 0.00 -1.14 0.00 0.00 41.12 40.20 1sos n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1sos h LYS 91 N -3.41 0.00 -0.28 0.11 2.10 -1.96 -0.12 116.57 113.01 1sos h LYS 91 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1sos h LYS 91 Cb 1.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 1sos h LYS 91 CO 0.32 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.52 1sos n ASP 92 N -3.53 1.88 0.00 7.07 8.00 -1.26 -4.71 116.55 124.00 1sos n ASP 92 Ca 0.04 -1.86 0.00 0.00 0.71 0.00 0.00 54.79 53.68 1sos n ASP 92 Cb 0.52 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 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 1.12 1.67 3.68 0.44 0.00 -0.06 -4.63 105.19 107.41 1sos n GLY 93 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.53 4.88 -0.35 1.61 1.01 -1.26 -1.50 120.40 122.26 1sos s VAL 94 Ca 0.00 1.70 -0.14 0.00 0.00 0.00 0.00 61.98 63.54 1sos s VAL 94 Cb 0.00 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 1sos s VAL 94 CO 0.00 0.04 0.29 0.00 0.00 0.00 0.00 175.10 175.44 1sos s ALA 95 N 2.00 3.50 -0.51 5.51 0.00 0.60 -1.20 121.76 131.67 1sos s ALA 95 Ca 0.40 -1.35 -0.23 0.00 0.00 0.00 0.00 51.96 50.78 1sos s ALA 95 Cb -0.17 -2.75 0.04 0.00 0.00 0.00 0.00 23.12 20.24 1sos s ALA 95 CO 0.14 -1.06 0.82 0.34 0.00 0.00 0.00 175.76 176.00 1sos s ASP 96 N 1.73 6.34 -0.09 0.00 -1.08 -1.26 -1.11 116.67 121.19 1sos s ASP 96 Ca 0.08 -0.39 -0.15 0.00 -0.52 0.00 0.00 52.55 51.57 1sos s ASP 96 Cb -0.17 -2.39 -0.05 0.00 -1.46 0.00 0.00 42.92 38.85 1sos s ASP 96 CO 0.11 -1.05 0.36 -0.69 0.52 0.00 0.00 175.17 174.42 1sos s VAL 97 N 3.45 5.19 -0.25 1.11 1.01 -0.15 -4.86 120.40 125.91 1sos s VAL 97 Ca 0.27 0.72 -0.05 0.00 0.00 0.00 0.00 61.98 62.92 1sos s VAL 97 Cb -0.14 -3.68 0.13 0.00 0.00 0.00 0.00 36.38 32.69 1sos s VAL 97 CO 0.19 0.46 0.48 -0.55 0.00 0.00 0.00 175.10 175.68 1sos s SER 98 N -0.20 -0.46 0.01 3.32 0.15 -1.26 -2.36 113.70 112.91 1sos s SER 98 Ca 0.21 0.78 -0.11 0.00 0.70 0.00 0.00 55.95 57.53 1sos s SER 98 Cb -0.15 1.59 0.01 0.00 -1.71 0.00 0.00 66.02 65.76 1sos s SER 98 CO 0.09 -0.26 0.23 -0.63 1.20 0.00 0.00 173.24 173.86 1sos s ILE 99 N 2.69 0.08 -0.05 6.45 1.01 0.71 -4.99 121.20 127.09 1sos s ILE 99 Ca 0.08 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 60.03 1sos s ILE 99 Cb -0.14 -0.67 0.04 0.00 0.01 0.00 0.00 42.46 41.70 1sos s ILE 99 CO -0.17 -0.37 0.10 -0.70 0.00 0.00 0.00 174.94 173.80 1sos s GLU 100 N -1.78 -0.03 0.01 2.79 2.12 -1.26 -0.15 118.70 120.39 1sos s GLU 100 Ca -0.11 0.43 0.02 0.00 0.36 0.00 0.00 54.97 55.67 1sos s GLU 100 Cb -0.04 -0.40 -0.01 0.00 0.26 0.00 0.00 34.13 33.94 1sos s GLU 100 CO 0.01 -0.30 -0.06 0.34 -0.54 0.00 0.00 175.26 174.70 1sos s ASP 101 N 2.08 0.72 -0.50 -1.70 2.15 -0.41 -4.97 116.67 114.03 1sos s ASP 101 Ca 0.03 -0.24 0.08 0.00 0.43 0.00 0.00 52.55 52.85 1sos s ASP 101 Cb -0.12 -0.04 0.31 0.00 -0.30 0.00 0.00 42.92 42.77 1sos s ASP 101 CO -0.04 -0.01 0.77 -1.54 -0.17 0.00 0.00 175.17 174.18 1sos n SER 102 N 2.49 2.55 0.00 -0.34 3.41 -1.26 -1.15 113.62 119.31 1sos n SER 102 Ca -0.16 -3.27 0.00 0.00 -0.26 0.00 0.00 58.87 55.18 1sos n SER 102 Cb 0.57 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1sos n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1sos n VAL 103 N 0.42 0.00 -2.11 -3.33 0.31 -1.26 -5.02 118.33 107.33 1sos n VAL 103 Ca 0.27 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.26 1sos n VAL 103 Cb 0.50 -0.15 0.02 0.00 -0.91 0.00 0.00 33.84 33.30 1sos n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1sos s ILE 104 N -1.53 3.11 0.06 2.52 -4.36 -1.26 -4.90 121.20 114.84 1sos s ILE 104 Ca 0.00 0.65 0.01 0.00 -0.26 0.00 0.00 60.65 61.05 1sos s ILE 104 Cb 0.00 -3.23 -0.03 0.00 1.25 0.00 0.00 42.46 40.45 1sos s ILE 104 CO 0.00 -0.19 -0.06 -0.55 0.24 0.00 0.00 174.94 174.38 1sos s SER 105 N -1.93 0.80 0.09 4.36 0.15 -0.66 -4.68 113.70 111.83 1sos s SER 105 Ca 0.72 -0.75 0.23 0.00 0.70 0.00 0.00 55.95 56.85 1sos s SER 105 Cb -0.24 0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.11 1sos s SER 105 CO 0.31 -0.35 0.93 0.18 1.20 0.00 0.00 173.24 175.50 1sos n LEU 106 N 0.83 0.58 -3.72 3.45 4.77 -1.26 -0.20 117.00 121.44 1sos n LEU 106 Ca -0.18 0.12 -0.21 0.00 -0.03 0.00 0.00 56.01 55.71 1sos n LEU 106 Cb 0.57 -0.06 -0.18 0.00 -2.33 0.00 0.00 43.42 41.42 1sos n LEU 106 CO 0.24 -0.06 -0.36 -0.94 -1.33 0.00 0.00 177.39 174.95 1sos s SER 107 N -4.61 1.24 0.00 -1.43 1.04 -1.26 -3.94 113.70 104.74 1sos s SER 107 Ca -0.00 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1sos s SER 107 Cb 0.12 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.99 1sos s SER 107 CO 0.82 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.43 1sos n GLY 108 N 5.14 0.59 0.13 7.32 0.00 -1.26 -4.73 105.19 112.37 1sos n GLY 108 Ca -0.07 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 43.79 1sos n GLY 108 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1sos h ASP 109 N 0.00 0.34 -0.16 1.61 3.58 -1.99 -2.91 116.42 116.89 1sos h ASP 109 Ca 0.00 -0.33 -0.08 0.00 0.42 0.00 0.00 57.03 57.05 1sos h ASP 109 Cb 0.00 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 40.91 1sos h ASP 109 CO 0.00 0.58 0.10 1.41 -2.88 0.00 0.00 179.24 178.45 1sos n HIS 110 N -4.69 0.49 -2.95 0.28 8.25 -1.26 -4.89 115.22 110.45 1sos n HIS 110 Ca -0.05 -0.64 -0.34 0.00 -0.26 0.00 0.00 57.72 56.44 1sos n HIS 110 Cb 0.24 -0.34 -0.07 0.00 1.12 0.00 0.00 29.99 30.94 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 0.51 6.94 0.00 0.41 0.15 -1.10 -1.66 113.70 118.95 1sos s SER 111 Ca 0.09 1.54 0.13 0.00 0.70 0.00 0.00 55.95 58.42 1sos s SER 111 Cb 0.08 -2.48 -0.01 0.00 -1.71 0.00 0.00 66.02 61.90 1sos s SER 111 CO 0.02 -0.24 0.72 2.30 1.20 0.00 0.00 173.24 177.24 1sos n ILE 112 N -0.30 0.00 -1.71 6.45 -5.35 0.72 -4.88 119.36 114.30 1sos n ILE 112 Ca 0.04 -0.36 -0.43 0.00 -0.27 0.00 0.00 62.75 61.73 1sos n ILE 112 Cb 0.53 1.14 -0.03 0.00 -1.74 0.00 0.00 39.64 39.54 1sos n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1sos n ILE 113 N -0.26 0.49 -0.56 7.28 2.08 -1.26 -1.21 119.36 125.92 1sos n ILE 113 Ca 0.05 -0.12 0.00 0.00 0.56 0.00 0.00 62.75 63.24 1sos n ILE 113 Cb 0.26 -1.78 0.00 0.00 -0.75 0.00 0.00 39.64 37.38 1sos n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1sos n GLY 114 N 2.95 0.78 3.78 7.39 0.00 0.63 -4.99 105.19 115.73 1sos n GLY 114 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1sos n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sos s ARG 115 N -0.44 2.30 -0.00 1.61 0.52 -0.35 -3.18 118.95 119.41 1sos s ARG 115 Ca 0.00 -1.80 -0.16 0.00 -0.52 0.00 0.00 55.73 53.25 1sos s ARG 115 Cb 0.00 -2.07 -0.06 0.00 0.52 0.00 0.00 34.95 33.35 1sos s ARG 115 CO 0.00 -0.18 0.44 0.99 0.02 0.00 0.00 175.30 176.57 1sos s THR 116 N -2.59 5.01 -0.20 0.02 2.01 -0.97 -0.83 115.64 118.09 1sos s THR 116 Ca 0.41 0.90 -0.10 0.00 0.31 0.00 0.00 61.69 63.22 1sos s THR 116 Cb 0.02 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 1sos s THR 116 CO 0.23 0.55 0.13 -0.22 -0.69 0.00 0.00 174.62 174.61 1sos s LEU 117 N -0.87 4.19 -0.02 4.42 2.96 -0.17 -0.25 118.68 128.93 1sos s LEU 117 Ca 0.25 0.23 0.08 0.00 -0.22 0.00 0.00 54.13 54.46 1sos s LEU 117 Cb -0.17 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.42 1sos s LEU 117 CO 0.14 0.18 -0.26 -0.69 -1.32 0.00 0.00 176.35 174.40 1sos s VAL 118 N 0.34 2.05 -0.18 1.68 1.01 0.46 -2.44 120.40 123.32 1sos s VAL 118 Ca 0.08 -1.11 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 1sos s VAL 118 Cb -0.11 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1sos s VAL 118 CO -0.02 0.58 0.02 0.54 0.00 0.00 0.00 175.10 176.22 1sos s VAL 119 N -0.56 4.30 0.43 2.92 0.11 -0.29 -1.24 120.40 126.07 1sos s VAL 119 Ca 0.08 -0.20 0.08 0.00 -2.93 0.00 0.00 61.98 59.01 1sos s VAL 119 Cb -0.10 -2.93 0.02 0.00 -1.53 0.00 0.00 36.38 31.83 1sos s VAL 119 CO -0.00 0.46 0.59 -1.00 -3.33 0.00 0.00 175.10 171.81 1sos s HIS 120 N 0.58 2.71 0.07 1.54 3.76 -0.31 -1.03 115.29 122.61 1sos s HIS 120 Ca 0.00 -0.42 -0.18 0.00 -0.15 0.00 0.00 55.06 54.31 1sos s HIS 120 Cb -0.14 -2.37 -0.11 0.00 1.11 0.00 0.00 32.58 31.08 1sos s HIS 120 CO 0.02 -0.47 1.42 1.49 -0.85 0.00 0.00 174.74 176.35 1sos h GLU 121 N 0.61 0.49 -5.27 1.40 4.81 -0.80 -3.39 114.58 112.42 1sos h GLU 121 Ca -0.39 -0.22 -0.65 0.00 -0.13 0.00 0.00 59.36 57.97 1sos h GLU 121 Cb 1.28 -0.01 -0.13 0.00 0.63 0.00 0.00 28.75 30.52 1sos h GLU 121 CO 0.45 0.78 -0.54 0.15 -0.73 0.00 0.00 179.01 179.12 1sos s LYS 122 N -4.52 2.10 0.08 1.92 1.02 1.00 -4.86 119.74 116.47 1sos s LYS 122 Ca -0.13 -2.30 -0.30 0.00 0.02 0.00 0.00 55.97 53.26 1sos s LYS 122 Cb 0.07 -1.41 -0.05 0.00 -0.52 0.00 0.00 37.83 35.91 1sos s LYS 122 CO 0.77 -0.31 1.02 0.00 -0.92 0.00 0.00 175.35 175.91 1sos s ALA 123 N -2.90 3.26 0.11 5.17 0.00 -1.21 -0.70 121.76 125.49 1sos s ALA 123 Ca 0.15 0.64 -0.31 0.00 0.00 0.00 0.00 51.96 52.43 1sos s ALA 123 Cb 0.04 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.75 1sos s ALA 123 CO 0.08 -0.17 1.43 0.34 0.00 0.00 0.00 175.76 177.44 1sos s ASP 124 N 0.42 6.78 0.00 0.00 2.15 -1.26 -4.07 116.67 120.68 1sos s ASP 124 Ca 0.50 2.36 0.12 0.00 0.43 0.00 0.00 52.55 55.96 1sos s ASP 124 Cb -0.24 -2.58 0.62 0.00 -0.30 0.00 0.00 42.92 40.41 1sos s ASP 124 CO 0.30 -0.69 1.41 -0.90 -0.17 0.00 0.00 175.17 175.12 1sos n ASP 125 N 4.12 0.31 -1.62 -0.34 5.68 0.15 -4.89 116.55 119.95 1sos n ASP 125 Ca 0.12 -1.70 -0.16 0.00 -0.50 0.00 0.00 54.79 52.55 1sos n ASP 125 Cb 0.42 -0.03 -0.06 0.00 -1.14 0.00 0.00 41.12 40.31 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 -0.48 -1.22 0.00 -2.12 4.77 -1.26 -1.78 117.00 114.91 1sos n LEU 126 Ca 0.09 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1sos n LEU 126 Cb 0.09 -2.35 0.00 0.00 -2.33 0.00 0.00 43.42 38.83 1sos n LEU 126 CO 0.07 -0.73 0.00 0.61 -1.33 0.00 0.00 177.39 176.01 1sos n GLY 127 N -0.40 3.13 1.47 -0.72 0.00 -1.12 -3.24 105.19 104.32 1sos n GLY 127 Ca -0.17 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 0.62 0.03 1.61 4.76 -0.73 -3.91 118.16 120.53 1sos n LYS 128 Ca 0.00 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.55 1sos n LYS 128 Cb 0.00 -1.19 0.01 0.00 -1.84 0.00 0.00 35.03 32.01 1sos n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sos n GLY 129 N 1.37 -1.20 1.91 0.72 0.00 -1.26 -4.99 105.19 101.74 1sos n GLY 129 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 1.36 2.72 3.93 -0.02 0.00 -1.25 -4.99 105.19 106.93 1sos n GLY 130 Ca 0.02 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 0.49 5.31 0.44 1.61 2.20 -1.26 -4.99 114.94 118.74 1sos s ASN 131 Ca 0.00 0.57 0.28 0.00 -0.94 0.00 0.00 52.86 52.76 1sos s ASN 131 Cb 0.00 -1.44 0.86 0.00 -2.00 0.00 0.00 41.25 38.67 1sos s ASN 131 CO 0.00 -1.24 1.79 1.05 -2.94 0.00 0.00 177.10 175.75 1sos h GLU 132 N -0.29 0.00 -0.43 3.55 4.11 -1.97 -2.52 114.58 117.04 1sos h GLU 132 Ca -0.45 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.03 1sos h GLU 132 Cb 1.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1sos h GLU 132 CO 0.60 0.00 0.29 1.49 0.07 0.00 0.00 179.01 181.46 1sos h GLU 133 N 0.00 0.36 0.00 1.06 4.57 -1.98 -0.66 114.58 117.93 1sos h GLU 133 Ca 0.00 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1sos h GLU 133 Cb 0.71 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1sos h GLU 133 CO 0.00 0.24 -0.00 0.77 -1.18 0.00 0.00 179.01 178.83 1sos h SER 134 N 0.37 0.00 0.06 1.04 0.02 -1.73 0.14 113.55 113.45 1sos h SER 134 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1sos h SER 134 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1sos h SER 134 CO -0.04 0.00 -0.47 0.35 -1.14 0.00 0.00 176.83 175.53 1sos n THR 135 N -4.05 0.00 0.00 -2.27 -2.24 -0.28 -2.80 114.28 102.63 1sos n THR 135 Ca -0.03 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1sos n THR 135 Cb 0.09 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 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 -0.32 0.00 0.02 -0.78 5.02 -0.09 -1.01 118.16 121.00 1sos n LYS 136 Ca 0.09 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.31 1sos n LYS 136 Cb 0.43 -0.15 -0.13 0.00 -0.02 0.00 0.00 35.03 35.16 1sos n LYS 136 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1sos h THR 137 N 0.00 1.18 -0.06 -0.18 1.35 -1.23 -3.42 112.91 110.56 1sos h THR 137 Ca 0.00 -2.96 -0.03 0.00 -0.55 0.00 0.00 66.41 62.88 1sos h THR 137 Cb 0.00 2.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.99 1sos h THR 137 CO 0.00 0.67 -0.02 0.61 -0.25 0.00 0.00 175.52 176.53 1sos n GLY 138 N 1.46 0.48 2.42 5.82 0.00 0.27 -4.04 105.19 111.59 1sos n GLY 138 Ca -0.09 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 44.70 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 1.80 -5.57 0.00 1.61 5.03 -1.25 0.30 115.26 117.17 1sos n ASN 139 Ca -0.01 0.06 0.10 0.00 0.87 0.00 0.00 54.58 55.60 1sos n ASN 139 Cb 0.04 -4.67 0.58 0.00 -1.02 0.00 0.00 39.78 34.71 1sos n ASN 139 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sos n ALA 140 N -1.73 2.19 -0.05 5.41 0.00 -1.26 -4.57 120.51 120.50 1sos n ALA 140 Ca -0.23 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1sos n ALA 140 Cb 0.67 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1sos n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sos n GLY 141 N 0.36 -0.76 3.61 0.00 0.00 -1.26 -0.00 105.19 107.14 1sos n GLY 141 Ca 0.13 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 1sos n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sos s SER 142 N -4.00 1.66 -0.37 1.61 1.04 -1.26 -4.66 113.70 107.72 1sos s SER 142 Ca 0.00 0.99 -0.08 0.00 0.48 0.00 0.00 55.95 57.34 1sos s SER 142 Cb 0.00 -1.51 0.05 0.00 0.10 0.00 0.00 66.02 64.66 1sos s SER 142 CO 0.00 -3.71 0.17 -0.13 0.98 0.00 0.00 173.24 170.55 1sos s ARG 143 N -5.08 2.64 0.12 4.02 0.52 -1.26 -1.01 118.95 118.90 1sos s ARG 143 Ca 0.68 -1.26 0.02 0.00 -0.52 0.00 0.00 55.73 54.65 1sos s ARG 143 Cb -0.16 -3.61 -0.16 0.00 0.52 0.00 0.00 34.95 31.55 1sos s ARG 143 CO 0.58 -0.76 1.28 -0.07 0.02 0.00 0.00 175.30 176.34 1sos h LEU 144 N 8.31 0.20 -7.00 2.53 3.38 -1.38 -3.48 115.31 117.88 1sos h LEU 144 Ca -0.23 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 57.62 1sos h LEU 144 Cb 1.09 -0.07 -0.17 0.00 0.09 0.00 0.00 40.66 41.60 1sos h LEU 144 CO 0.66 1.10 0.45 0.00 0.09 0.00 0.00 178.44 180.74 1sos s ALA 145 N -2.87 -1.82 0.15 1.53 0.00 -1.07 -4.06 121.76 113.63 1sos s ALA 145 Ca -0.02 1.08 -0.25 0.00 0.00 0.00 0.00 51.96 52.78 1sos s ALA 145 Cb 0.09 0.23 0.06 0.00 0.00 0.00 0.00 23.12 23.51 1sos s ALA 145 CO 0.84 -0.61 0.82 0.00 0.00 0.00 0.00 175.76 176.82 1sos s GLY 147 N -2.80 0.26 -0.12 0.00 0.00 -1.02 -2.15 107.32 101.49 1sos s GLY 147 Ca 0.08 -0.62 -0.07 0.00 0.00 0.00 0.00 44.72 44.11 1sos s GLY 147 CO -0.02 -0.57 0.13 0.14 0.00 0.00 0.00 173.10 172.78 1sos s VAL 148 N -3.94 5.38 -0.57 1.40 1.01 -1.26 -1.00 120.40 121.42 1sos s VAL 148 Ca 0.15 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.01 1sos s VAL 148 Cb 0.01 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 33.07 1sos s VAL 148 CO 0.01 0.60 1.16 -0.63 0.00 0.00 0.00 175.10 176.24 1sos s ILE 149 N -0.90 4.07 0.35 2.22 1.01 -0.01 -4.36 121.20 123.59 1sos s ILE 149 Ca 0.14 0.86 0.02 0.00 0.00 0.00 0.00 60.65 61.68 1sos s ILE 149 Cb -0.12 -4.70 -0.02 0.00 0.01 0.00 0.00 42.46 37.63 1sos s ILE 149 CO 0.03 -1.29 0.54 -0.83 0.00 0.00 0.00 174.94 173.39 1sos s GLY 150 N 2.90 1.42 -0.25 6.18 0.00 -0.08 -0.27 107.32 117.22 1sos s GLY 150 Ca 0.42 -1.10 -0.29 0.00 0.00 0.00 0.00 44.72 43.75 1sos s GLY 150 CO 0.25 -1.02 1.04 -0.42 0.00 0.00 0.00 173.10 172.96 1sos s ILE 151 N -2.30 4.65 0.38 0.90 1.01 -1.26 -1.50 121.20 123.07 1sos s ILE 151 Ca 0.42 1.96 0.07 0.00 0.00 0.00 0.00 60.65 63.11 1sos s ILE 151 Cb -0.10 -4.33 -0.00 0.00 0.01 0.00 0.00 42.46 38.04 1sos s ILE 151 CO 0.34 -0.24 0.51 0.00 0.00 0.00 0.00 174.94 175.56 1sos s ALA 152 N 3.29 4.37 -2.00 9.38 0.00 -1.11 -4.82 121.76 130.87 1sos s ALA 152 Ca 0.44 -1.57 0.24 0.00 0.00 0.00 0.00 51.96 51.07 1sos s ALA 152 Cb -0.14 -1.64 1.44 0.00 0.00 0.00 0.00 23.12 22.77 1sos s ALA 152 CO 0.08 -0.15 1.80 0.94 0.00 0.00 0.00 175.76 178.43