#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 1.49 -2.89 0.00 2.02 -1.91 -3.44 112.91 108.18 1sos h THR 2 Ca 0.00 -3.18 -0.63 0.00 0.77 0.00 0.00 66.41 63.37 1sos h THR 2 Cb 0.00 2.80 -0.17 0.00 -1.74 0.00 0.00 68.15 69.04 1sos h THR 2 CO 0.00 0.88 -0.80 -0.54 0.37 0.00 0.00 175.52 175.43 1sos s LYS 3 N -2.67 1.54 0.08 6.66 3.01 -1.26 -0.62 119.74 126.47 1sos s LYS 3 Ca -0.02 -1.59 -0.26 0.00 -1.01 0.00 0.00 55.97 53.09 1sos s LYS 3 Cb 0.09 -1.76 0.07 0.00 -1.01 0.00 0.00 37.83 35.22 1sos s LYS 3 CO 0.84 0.36 0.64 0.00 0.51 0.00 0.00 175.35 177.70 1sos s ALA 4 N -1.99 -1.67 0.04 5.17 0.00 -0.94 -2.16 121.76 120.20 1sos s ALA 4 Ca 0.23 0.81 -0.06 0.00 0.00 0.00 0.00 51.96 52.93 1sos s ALA 4 Cb -0.07 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.59 1sos s ALA 4 CO 0.11 -0.62 0.12 0.54 0.00 0.00 0.00 175.76 175.91 1sos s VAL 5 N -2.80 0.13 -0.03 0.00 0.11 -0.42 -0.84 120.40 116.55 1sos s VAL 5 Ca -0.03 -1.06 0.01 0.00 -2.93 0.00 0.00 61.98 57.97 1sos s VAL 5 Cb -0.01 -0.92 0.03 0.00 -1.53 0.00 0.00 36.38 33.95 1sos s VAL 5 CO -0.05 -0.58 -0.01 0.00 -3.33 0.00 0.00 175.10 171.13 1sos s ALA 6 N -2.65 0.37 -0.29 1.54 0.00 0.14 -0.95 121.76 119.92 1sos s ALA 6 Ca -0.05 0.12 -0.14 0.00 0.00 0.00 0.00 51.96 51.90 1sos s ALA 6 Cb -0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1sos s ALA 6 CO -0.05 -0.05 0.31 0.08 0.00 0.00 0.00 175.76 176.05 1sos s VAL 7 N 0.95 5.22 -0.05 0.00 1.01 -1.26 -1.21 120.40 125.06 1sos s VAL 7 Ca -0.10 0.35 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 1sos s VAL 7 Cb -0.13 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1sos s VAL 7 CO -0.01 0.15 0.57 -0.76 0.00 0.00 0.00 175.10 175.05 1sos s LEU 8 N 1.96 4.35 0.01 3.92 1.02 0.50 -3.80 118.68 126.64 1sos s LEU 8 Ca 0.12 1.05 -0.24 0.00 0.02 0.00 0.00 54.13 55.08 1sos s LEU 8 Cb -0.16 -2.87 0.05 0.00 0.02 0.00 0.00 46.19 43.23 1sos s LEU 8 CO 0.11 0.03 0.54 -0.75 0.02 0.00 0.00 176.35 176.30 1sos s LYS 9 N 0.23 0.99 0.00 1.70 2.20 -0.11 -2.59 119.74 122.16 1sos s LYS 9 Ca 0.31 -0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.85 1sos s LYS 9 Cb -0.17 0.46 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 1sos s LYS 9 CO 0.15 -0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 1sos n GLY 10 N 0.71 3.30 0.13 5.54 0.00 -1.26 -1.76 105.19 111.86 1sos n GLY 10 Ca -0.19 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 1sos n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sos h ASP 11 N 0.00 0.43 0.00 1.61 3.32 -1.94 -3.47 116.42 116.37 1sos h ASP 11 Ca 0.00 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1sos h ASP 11 Cb 0.00 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1sos h ASP 11 CO 0.00 1.22 0.00 0.61 -1.72 0.00 0.00 179.24 179.35 1sos n GLY 12 N 1.13 1.82 0.12 2.75 0.00 -1.26 -5.04 105.19 104.70 1sos n GLY 12 Ca -0.06 -1.78 0.12 0.00 0.00 0.00 0.00 46.02 44.30 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 -5.91 1.61 0.14 -1.90 -3.47 132.00 122.47 1sos h PRO 13 Ca 0.00 0.00 -0.58 0.00 0.14 0.00 0.00 66.00 65.56 1sos h PRO 13 Cb 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 31.00 31.07 1sos h PRO 13 CO 0.00 0.00 -0.12 0.54 0.14 0.00 0.00 178.00 178.56 1sos s VAL 14 N -3.19 5.06 -0.02 1.56 0.11 -1.26 -4.50 120.40 118.16 1sos s VAL 14 Ca 0.07 1.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.97 1sos s VAL 14 Cb 0.11 -3.82 0.02 0.00 -1.53 0.00 0.00 36.38 31.16 1sos s VAL 14 CO 0.68 0.42 0.30 0.00 -3.33 0.00 0.00 175.10 173.18 1sos s GLN 15 N -0.09 0.65 0.18 1.54 -2.07 -0.87 -4.06 119.66 114.95 1sos s GLN 15 Ca 0.26 -0.18 -0.24 0.00 -1.82 0.00 0.00 55.36 53.39 1sos s GLN 15 Cb -0.16 0.29 0.06 0.00 -1.09 0.00 0.00 33.01 32.10 1sos s GLN 15 CO 0.13 -0.18 0.94 0.20 -1.32 0.00 0.00 175.29 175.06 1sos s GLY 16 N -1.27 -0.16 -0.10 2.60 0.00 -1.07 -0.77 107.32 106.55 1sos s GLY 16 Ca -0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 44.72 44.58 1sos s GLY 16 CO 0.04 0.22 -0.06 -0.42 0.00 0.00 0.00 173.10 172.88 1sos s ILE 17 N -3.20 0.86 -0.12 0.90 1.01 -1.21 -0.37 121.20 119.07 1sos s ILE 17 Ca 0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 60.65 60.59 1sos s ILE 17 Cb -0.02 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.52 1sos s ILE 17 CO 0.03 0.34 -0.12 -0.63 0.00 0.00 0.00 174.94 174.56 1sos s ILE 18 N 1.73 3.15 0.05 2.92 -1.09 -0.35 -3.11 121.20 124.51 1sos s ILE 18 Ca 0.04 -0.63 0.01 0.00 -2.23 0.00 0.00 60.65 57.84 1sos s ILE 18 Cb -0.13 -2.32 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 1sos s ILE 18 CO -0.07 0.53 0.11 0.20 -1.23 0.00 0.00 174.94 174.48 1sos s ASN 19 N 0.21 5.80 0.07 3.58 -0.87 0.94 -0.69 114.94 123.98 1sos s ASN 19 Ca -0.08 0.11 0.05 0.00 -1.57 0.00 0.00 52.86 51.38 1sos s ASN 19 Cb -0.15 -1.65 -0.03 0.00 -0.02 0.00 0.00 41.25 39.40 1sos s ASN 19 CO 0.05 0.20 -0.15 -0.36 -2.57 0.00 0.00 177.10 174.27 1sos s PHE 20 N -1.37 1.30 -0.12 2.20 0.40 -0.02 -1.14 117.98 119.23 1sos s PHE 20 Ca 0.29 -0.43 -0.09 0.00 -0.60 0.00 0.00 56.93 56.10 1sos s PHE 20 Cb -0.12 -0.74 0.04 0.00 0.51 0.00 0.00 43.02 42.71 1sos s PHE 20 CO 0.21 0.07 0.31 -2.00 0.70 0.00 0.00 175.22 174.52 1sos s GLU 21 N -1.61 0.33 -0.18 0.44 2.12 -0.32 -2.23 118.70 117.26 1sos s GLU 21 Ca -0.00 0.51 -0.03 0.00 0.36 0.00 0.00 54.97 55.81 1sos s GLU 21 Cb -0.09 0.08 0.06 0.00 0.26 0.00 0.00 34.13 34.44 1sos s GLU 21 CO 0.02 -0.09 0.04 -1.14 -0.54 0.00 0.00 175.26 173.55 1sos s GLN 22 N 0.58 0.62 0.39 4.30 0.74 0.21 -0.46 119.66 126.03 1sos s GLN 22 Ca -0.03 -0.37 0.21 0.00 0.05 0.00 0.00 55.36 55.21 1sos s GLN 22 Cb -0.05 -2.03 0.61 0.00 1.10 0.00 0.00 33.01 32.65 1sos s GLN 22 CO -0.03 -0.62 1.69 0.87 -0.55 0.00 0.00 175.29 176.65 1sos h LYS 23 N 8.26 0.00 -3.65 1.67 1.57 -1.82 -3.40 116.57 119.20 1sos h LYS 23 Ca -0.16 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.41 1sos h LYS 23 Cb 1.12 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.17 1sos h LYS 23 CO 0.33 0.30 -0.65 -1.21 -0.57 0.00 0.00 179.45 177.66 1sos s GLU 24 N -3.42 0.14 0.35 3.15 2.02 -1.26 -5.04 118.70 114.64 1sos s GLU 24 Ca 0.02 -0.06 0.16 0.00 0.02 0.00 0.00 54.97 55.11 1sos s GLU 24 Cb 0.09 0.06 1.17 0.00 0.10 0.00 0.00 34.13 35.55 1sos s GLU 24 CO 0.67 -0.02 1.63 0.66 0.02 0.00 0.00 175.26 178.22 1sos h SER 25 N 5.70 0.42 -0.30 -0.19 4.64 -1.97 0.26 113.55 122.12 1sos h SER 25 Ca -0.26 0.22 -0.09 0.00 -0.47 0.00 0.00 61.79 61.18 1sos h SER 25 Cb 1.21 0.19 -0.06 0.00 -0.31 0.00 0.00 62.40 63.43 1sos h SER 25 CO 0.46 -0.25 -0.02 -0.46 -0.87 0.00 0.00 176.83 175.69 1sos n ASN 26 N -5.14 3.15 -2.94 4.97 6.94 -1.26 -4.88 115.26 116.11 1sos n ASN 26 Ca 0.34 -3.38 -0.08 0.00 -0.02 0.00 0.00 54.58 51.44 1sos n ASN 26 Cb 1.09 -0.59 0.03 0.00 -2.36 0.00 0.00 39.78 37.95 1sos n ASN 26 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sos n GLY 27 N -0.86 1.19 3.78 4.83 0.00 0.93 -5.09 105.19 109.97 1sos n GLY 27 Ca 0.27 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 1sos n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sos s PRO 28 N -3.17 4.28 -0.31 1.61 0.02 -1.26 -4.87 135.00 131.30 1sos s PRO 28 Ca 0.22 0.75 -0.20 0.00 0.02 0.00 0.00 61.00 61.79 1sos s PRO 28 Cb -0.01 -3.30 -0.01 0.00 0.02 0.00 0.00 34.50 31.20 1sos s PRO 28 CO 0.15 0.47 0.62 0.08 -0.33 0.00 0.00 177.00 177.99 1sos s VAL 29 N -0.56 4.94 0.11 3.83 1.01 -0.04 -4.43 120.40 125.27 1sos s VAL 29 Ca 0.30 0.80 -0.30 0.00 0.00 0.00 0.00 61.98 62.78 1sos s VAL 29 Cb -0.19 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 1sos s VAL 29 CO 0.18 -0.15 1.09 -0.75 0.00 0.00 0.00 175.10 175.47 1sos s LYS 30 N 2.59 4.56 -0.08 2.72 2.47 0.39 -0.74 119.74 131.65 1sos s LYS 30 Ca 0.25 1.65 0.01 0.00 -1.56 0.00 0.00 55.97 56.32 1sos s LYS 30 Cb -0.15 -3.33 0.02 0.00 -1.46 0.00 0.00 37.83 32.90 1sos s LYS 30 CO 0.12 -0.01 -0.11 0.08 0.16 0.00 0.00 175.35 175.59 1sos s VAL 31 N 0.30 1.13 0.06 4.02 1.01 -0.28 -1.17 120.40 125.48 1sos s VAL 31 Ca 0.52 -0.44 -0.21 0.00 0.00 0.00 0.00 61.98 61.85 1sos s VAL 31 Cb -0.27 -1.07 0.05 0.00 0.00 0.00 0.00 36.38 35.09 1sos s VAL 31 CO 0.32 0.36 0.50 -1.66 0.00 0.00 0.00 175.10 174.62 1sos s TRP 32 N 0.97 -0.39 -5.00 5.22 -2.14 -0.29 -1.52 118.94 115.79 1sos s TRP 32 Ca -0.09 0.38 0.00 0.00 2.66 0.00 0.00 56.10 59.05 1sos s TRP 32 Cb -0.15 0.33 0.00 0.00 -3.10 0.00 0.00 33.47 30.55 1sos s TRP 32 CO -0.00 -0.65 0.00 0.41 -2.66 0.00 0.00 176.95 174.05 1sos n GLY 33 N 0.32 -0.28 3.34 3.67 0.00 -0.95 -0.04 105.19 111.25 1sos n GLY 33 Ca -0.18 -1.22 -0.17 0.00 0.00 0.00 0.00 46.02 44.44 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 -4.00 1.60 -0.08 1.61 0.01 -1.18 -0.45 113.70 111.22 1sos s SER 34 Ca 0.00 -1.32 -0.03 0.00 1.31 0.00 0.00 55.95 55.91 1sos s SER 34 Cb 0.00 0.07 0.04 0.00 0.21 0.00 0.00 66.02 66.34 1sos s SER 34 CO 0.00 -0.63 0.10 -0.63 0.41 0.00 0.00 173.24 172.48 1sos s ILE 35 N -3.56 -0.15 0.46 1.44 1.01 -0.43 -3.30 121.20 116.66 1sos s ILE 35 Ca 0.34 0.30 0.08 0.00 0.00 0.00 0.00 60.65 61.36 1sos s ILE 35 Cb 0.07 -0.27 0.03 0.00 0.01 0.00 0.00 42.46 42.30 1sos s ILE 35 CO 0.12 0.09 0.63 -1.59 0.00 0.00 0.00 174.94 174.18 1sos s LYS 36 N 2.20 2.71 0.00 2.79 -2.85 0.05 -0.52 119.74 124.11 1sos s LYS 36 Ca 0.04 -1.26 0.00 0.00 -1.00 0.00 0.00 55.97 53.75 1sos s LYS 36 Cb -0.13 -2.71 0.00 0.00 -2.06 0.00 0.00 37.83 32.93 1sos s LYS 36 CO -0.05 -0.42 0.00 0.41 0.10 0.00 0.00 175.35 175.39 1sos n GLY 37 N -1.97 0.76 3.91 0.59 0.00 -1.12 -2.04 105.19 105.31 1sos n GLY 37 Ca 0.09 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1sos n GLY 37 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sos s LEU 38 N 0.00 4.34 0.01 0.99 2.96 -0.44 -4.12 118.68 122.43 1sos s LEU 38 Ca 0.00 0.27 -0.28 0.00 -0.22 0.00 0.00 54.13 53.89 1sos s LEU 38 Cb 0.00 -2.90 -0.04 0.00 0.50 0.00 0.00 46.19 43.75 1sos s LEU 38 CO 0.00 0.18 0.90 0.42 -1.32 0.00 0.00 176.35 176.53 1sos s THR 39 N -1.48 4.82 -0.01 3.68 -4.23 -1.26 -3.95 115.64 113.21 1sos s THR 39 Ca 0.34 1.91 -0.27 0.00 -1.18 0.00 0.00 61.69 62.49 1sos s THR 39 Cb -0.13 -4.25 -0.13 0.00 1.34 0.00 0.00 72.50 69.33 1sos s THR 39 CO 0.27 0.22 0.72 1.21 -0.54 0.00 0.00 174.62 176.51 1sos n GLU 40 N 3.57 0.00 0.00 3.99 2.13 -1.26 -4.74 120.64 124.34 1sos n GLU 40 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1sos n GLU 40 Cb 0.51 -1.00 0.00 0.00 0.27 0.00 0.00 31.44 31.21 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 1.04 0.45 3.82 8.31 0.00 0.35 -4.92 105.19 114.23 1sos n GLY 41 Ca 0.14 -2.28 -0.36 0.00 0.00 0.00 0.00 46.02 43.52 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 4.33 -0.16 0.99 1.02 -1.26 -0.14 118.68 123.46 1sos s LEU 42 Ca 0.00 1.40 -0.08 0.00 0.02 0.00 0.00 54.13 55.47 1sos s LEU 42 Cb 0.00 -3.60 0.06 0.00 0.02 0.00 0.00 46.19 42.66 1sos s LEU 42 CO 0.00 0.02 0.37 -1.00 0.02 0.00 0.00 176.35 175.77 1sos s HIS 43 N -1.55 -0.55 0.58 0.29 3.76 -0.36 -2.91 115.29 114.56 1sos s HIS 43 Ca 0.43 1.18 -0.20 0.00 -0.15 0.00 0.00 55.06 56.33 1sos s HIS 43 Cb -0.16 0.22 -0.03 0.00 1.11 0.00 0.00 32.58 33.71 1sos s HIS 43 CO 0.21 -0.32 1.30 0.20 -0.85 0.00 0.00 174.74 175.27 1sos s GLY 44 N 1.41 2.85 -0.09 -2.22 0.00 0.67 -0.56 107.32 109.37 1sos s GLY 44 Ca -0.09 1.21 -0.03 0.00 0.00 0.00 0.00 44.72 45.81 1sos s GLY 44 CO -0.12 1.67 0.09 -0.12 0.00 0.00 0.00 173.10 174.62 1sos s PHE 45 N -1.40 0.05 0.14 1.90 5.36 -0.69 -1.09 117.98 122.25 1sos s PHE 45 Ca 0.76 0.15 -0.05 0.00 -0.96 0.00 0.00 56.93 56.83 1sos s PHE 45 Cb -0.37 -0.50 -0.02 0.00 -0.34 0.00 0.00 43.02 41.79 1sos s PHE 45 CO 0.41 -0.31 0.17 -1.01 -1.46 0.00 0.00 175.22 173.02 1sos s HIS 46 N 2.19 0.59 -0.22 10.12 3.76 -0.94 -1.16 115.29 129.63 1sos s HIS 46 Ca 0.04 -0.97 -0.05 0.00 -0.15 0.00 0.00 55.06 53.92 1sos s HIS 46 Cb -0.13 -0.26 -0.02 0.00 1.11 0.00 0.00 32.58 33.28 1sos s HIS 46 CO -0.05 -0.61 0.01 0.08 -0.85 0.00 0.00 174.74 173.31 1sos s VAL 47 N -4.00 3.87 0.37 -0.90 1.01 0.70 -1.02 120.40 120.43 1sos s VAL 47 Ca 0.19 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1sos s VAL 47 Cb 0.05 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1sos s VAL 47 CO -0.00 0.40 0.56 -1.00 0.00 0.00 0.00 175.10 175.06 1sos s HIS 48 N 1.32 3.36 0.04 5.22 3.76 0.18 -1.24 115.29 127.93 1sos s HIS 48 Ca 0.04 0.20 -0.31 0.00 -0.15 0.00 0.00 55.06 54.85 1sos s HIS 48 Cb -0.15 -2.01 -0.18 0.00 1.11 0.00 0.00 32.58 31.36 1sos s HIS 48 CO 0.01 -0.02 1.37 1.49 -0.85 0.00 0.00 174.74 176.74 1sos h GLU 49 N 0.70 -0.93 -6.54 1.40 4.81 -0.10 -3.06 114.58 110.86 1sos h GLU 49 Ca -0.48 0.06 -0.52 0.00 -0.13 0.00 0.00 59.36 58.29 1sos h GLU 49 Cb 1.24 0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.80 1sos h GLU 49 CO 0.59 -0.59 0.04 -0.06 -0.73 0.00 0.00 179.01 178.25 1sos s PHE 50 N -5.35 3.55 -0.54 0.92 0.08 0.50 -4.43 117.98 112.71 1sos s PHE 50 Ca -0.16 1.22 0.01 0.00 0.12 0.00 0.00 56.93 58.11 1sos s PHE 50 Cb 0.02 -2.51 0.51 0.00 -0.57 0.00 0.00 43.02 40.48 1sos s PHE 50 CO 0.53 0.29 1.96 0.41 -0.10 0.00 0.00 175.22 178.31 1sos n GLY 51 N 0.39 5.08 3.54 4.36 0.00 -0.79 -2.89 105.19 114.88 1sos n GLY 51 Ca -0.01 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.40 6.29 -0.27 1.61 -1.08 -1.26 -4.89 116.67 115.67 1sos s ASP 52 Ca 0.58 -0.21 0.11 0.00 -0.52 0.00 0.00 52.55 52.51 1sos s ASP 52 Cb 0.47 -2.27 0.47 0.00 -1.46 0.00 0.00 42.92 40.13 1sos s ASP 52 CO 0.04 -0.54 1.17 0.59 0.52 0.00 0.00 175.17 176.95 1sos n ASN 53 N 5.79 3.85 0.09 -0.34 5.03 -1.26 -2.42 115.26 126.00 1sos n ASN 53 Ca -0.05 -3.33 -0.13 0.00 0.87 0.00 0.00 54.58 51.94 1sos n ASN 53 Cb 0.48 -0.38 -0.07 0.00 -1.02 0.00 0.00 39.78 38.79 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 2.97 0.90 -0.33 3.41 1.35 -1.95 -1.42 112.91 117.85 1sos h THR 54 Ca 0.21 -0.05 -0.18 0.00 -0.55 0.00 0.00 66.41 65.84 1sos h THR 54 Cb 1.45 0.93 -0.10 0.00 -1.73 0.00 0.00 68.15 68.70 1sos h THR 54 CO 0.56 0.01 0.23 0.00 -0.25 0.00 0.00 175.52 176.07 1sos n ALA 55 N -2.17 3.73 -0.60 6.62 0.00 -1.26 -5.03 120.51 121.80 1sos n ALA 55 Ca -0.08 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.37 1sos n ALA 55 Cb 0.10 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 0.08 1.58 0.13 0.00 0.00 -0.53 -3.26 105.19 103.18 1sos n GLY 56 Ca 0.20 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 1.24 -0.00 0.00 2.02 -1.90 -3.10 112.91 111.16 1sos h THR 58 Ca 0.00 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.11 1sos h THR 58 Cb 0.51 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1sos h THR 58 CO 0.00 0.35 -0.07 -1.54 0.37 0.00 0.00 175.52 174.63 1sos n SER 59 N -4.18 0.26 0.07 4.18 3.41 -1.17 -3.74 113.62 112.43 1sos n SER 59 Ca 0.00 -0.40 0.03 0.00 -0.26 0.00 0.00 58.87 58.25 1sos n SER 59 Cb 0.34 -0.16 0.18 0.00 -0.26 0.00 0.00 64.21 64.31 1sos n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sos n ALA 60 N -1.10 0.75 -0.08 7.33 0.00 -1.02 -4.60 120.51 121.78 1sos n ALA 60 Ca 0.14 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1sos n ALA 60 Cb 0.26 -0.83 -0.00 0.00 0.00 0.00 0.00 19.45 18.88 1sos n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sos n GLY 61 N -1.33 -2.02 0.94 0.00 0.00 -1.25 -0.37 105.19 101.16 1sos n GLY 61 Ca -0.00 -1.40 -0.07 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.19 -0.65 -2.01 1.61 -0.04 -1.26 -4.53 135.00 127.92 1sos n PRO 62 Ca 0.00 -0.49 -0.42 0.00 -0.04 0.00 0.00 63.50 62.55 1sos n PRO 62 Cb 0.00 -0.36 -0.03 0.00 -0.04 0.00 0.00 33.50 33.08 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 -1.66 3.05 -0.27 0.54 3.76 -1.26 0.07 115.29 119.51 1sos s HIS 63 Ca 0.19 0.94 -0.28 0.00 -0.15 0.00 0.00 55.06 55.76 1sos s HIS 63 Cb -0.01 -3.83 -0.05 0.00 1.11 0.00 0.00 32.58 29.81 1sos s HIS 63 CO 0.13 -2.78 2.19 0.12 -0.85 0.00 0.00 174.74 173.55 1sos s PHE 64 N 0.33 1.24 -0.58 1.40 5.36 -0.37 -4.49 117.98 120.87 1sos s PHE 64 Ca 0.62 0.69 0.05 0.00 -0.96 0.00 0.00 56.93 57.33 1sos s PHE 64 Cb -0.42 -3.91 0.18 0.00 -0.34 0.00 0.00 43.02 38.54 1sos s PHE 64 CO 0.39 -3.72 0.47 -1.71 -1.46 0.00 0.00 175.22 169.19 1sos n ASN 65 N 12.10 1.71 0.19 6.13 5.15 -1.26 -1.20 115.26 138.07 1sos n ASN 65 Ca 0.30 -2.91 0.04 0.00 -0.60 0.00 0.00 54.58 51.40 1sos n ASN 65 Cb 0.47 -0.67 0.45 0.00 -0.53 0.00 0.00 39.78 39.49 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 5.27 0.07 -0.80 1.20 0.13 -1.91 -3.18 132.00 132.79 1sos h PRO 66 Ca 0.19 -0.02 -0.32 0.00 -0.87 0.00 0.00 66.00 64.99 1sos h PRO 66 Cb 0.81 -0.01 -0.19 0.00 0.13 0.00 0.00 31.00 31.74 1sos h PRO 66 CO 0.59 0.26 0.38 1.28 -0.23 0.00 0.00 178.00 180.29 1sos n LEU 67 N -4.28 6.14 -3.87 1.56 4.77 -1.26 -5.00 117.00 115.06 1sos n LEU 67 Ca -0.02 -3.40 -0.27 0.00 -0.03 0.00 0.00 56.01 52.29 1sos n LEU 67 Cb 0.27 -0.77 0.01 0.00 -2.33 0.00 0.00 43.42 40.60 1sos n LEU 67 CO 0.37 0.93 -0.11 -1.20 -1.33 0.00 0.00 177.39 176.05 1sos n SER 68 N -0.60 -2.51 -1.87 -1.43 7.64 -1.20 -4.97 113.62 108.67 1sos n SER 68 Ca 0.47 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.58 1sos n SER 68 Cb 1.46 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 -3.23 1.40 -3.34 1.43 5.12 -1.26 -5.10 116.66 111.68 1sos n ARG 69 Ca -0.08 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.63 1sos n ARG 69 Cb 0.35 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.65 1sos n ARG 69 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1sos s LYS 70 N -1.70 2.50 0.65 5.56 1.02 -1.26 -4.82 119.74 121.68 1sos s LYS 70 Ca 0.00 -1.57 -0.13 0.00 0.02 0.00 0.00 55.97 54.29 1sos s LYS 70 Cb 0.00 -2.50 -0.01 0.00 -0.52 0.00 0.00 37.83 34.80 1sos s LYS 70 CO 0.00 -0.46 1.06 -1.58 -0.92 0.00 0.00 175.35 173.46 1sos s HIS 71 N -2.54 2.99 0.03 3.18 5.65 -0.56 -2.94 115.29 121.09 1sos s HIS 71 Ca 0.51 1.48 -0.04 0.00 0.25 0.00 0.00 55.06 57.26 1sos s HIS 71 Cb -0.05 -2.97 0.01 0.00 -1.18 0.00 0.00 32.58 28.39 1sos s HIS 71 CO 0.31 -1.24 0.20 0.41 -0.65 0.00 0.00 174.74 173.77 1sos n GLY 72 N -1.39 1.05 4.00 1.59 0.00 -1.26 -4.52 105.19 104.67 1sos n GLY 72 Ca 0.08 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.30 1.92 0.39 -0.02 0.00 -1.22 -4.71 107.32 101.37 1sos s GLY 73 Ca 0.04 -1.82 0.28 0.00 0.00 0.00 0.00 44.72 43.23 1sos s GLY 73 CO 0.01 -1.59 1.84 -0.56 0.00 0.00 0.00 173.10 172.80 1sos h PRO 74 N 0.55 0.00 -0.31 2.90 0.13 -1.88 -2.41 132.00 130.98 1sos h PRO 74 Ca -0.37 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.71 1sos h PRO 74 Cb 1.28 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 1sos h PRO 74 CO 0.45 0.00 0.01 1.63 -0.23 0.00 0.00 178.00 179.86 1sos n LYS 75 N -2.61 2.77 -3.44 0.86 5.02 -1.26 -4.95 118.16 114.56 1sos n LYS 75 Ca 0.01 -2.92 -0.19 0.00 -2.02 0.00 0.00 58.31 53.19 1sos n LYS 75 Cb 0.26 -1.87 -0.00 0.00 -0.02 0.00 0.00 35.03 33.39 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 -1.99 5.97 -0.13 4.39 1.01 -0.91 -5.00 116.67 120.01 1sos s ASP 76 Ca 0.44 -0.15 -0.27 0.00 0.71 0.00 0.00 52.55 53.28 1sos s ASP 76 Cb 0.36 -1.26 -0.26 0.00 1.01 0.00 0.00 42.92 42.76 1sos s ASP 76 CO 0.08 -0.45 0.75 -0.33 0.21 0.00 0.00 175.17 175.43 1sos h GLU 77 N 0.86 0.05 -5.77 8.23 5.08 -1.92 -3.42 114.58 117.68 1sos h GLU 77 Ca -0.46 -0.08 -0.62 0.00 -1.00 0.00 0.00 59.36 57.20 1sos h GLU 77 Cb 1.26 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 30.41 1sos h GLU 77 CO 0.53 1.04 0.43 -2.00 -1.00 0.00 0.00 179.01 178.01 1sos s GLU 78 N -2.26 3.36 0.03 2.33 2.56 -1.26 -4.93 118.70 118.52 1sos s GLU 78 Ca -0.19 -0.22 -0.28 0.00 0.00 0.00 0.00 54.97 54.28 1sos s GLU 78 Cb -0.02 -4.00 0.10 0.00 2.00 0.00 0.00 34.13 32.21 1sos s GLU 78 CO 0.71 -1.28 0.97 -0.98 -0.56 0.00 0.00 175.26 174.12 1sos s ARG 79 N 3.53 0.85 0.31 4.30 1.04 -1.21 -4.15 118.95 123.62 1sos s ARG 79 Ca 0.29 -0.39 -0.13 0.00 -1.04 0.00 0.00 55.73 54.47 1sos s ARG 79 Cb -0.13 0.34 -0.08 0.00 -2.04 0.00 0.00 34.95 33.04 1sos s ARG 79 CO 0.21 -0.38 0.69 -1.01 -0.04 0.00 0.00 175.30 174.77 1sos s HIS 80 N -3.05 3.40 0.36 5.89 3.76 -1.15 -4.57 115.29 119.92 1sos s HIS 80 Ca 0.08 1.11 0.04 0.00 -0.15 0.00 0.00 55.06 56.14 1sos s HIS 80 Cb -0.01 -2.45 0.70 0.00 1.11 0.00 0.00 32.58 31.93 1sos s HIS 80 CO -0.05 0.11 1.98 0.28 -0.85 0.00 0.00 174.74 176.22 1sos h VAL 81 N 1.86 1.08 0.00 -0.90 2.07 -1.82 -1.43 116.25 117.12 1sos h VAL 81 Ca -0.48 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1sos h VAL 81 Cb 1.17 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1sos h VAL 81 CO 0.66 0.15 0.00 0.61 0.02 0.00 0.00 177.57 179.01 1sos n GLY 82 N -1.44 -0.74 3.53 2.17 0.00 -0.34 -4.48 105.19 103.88 1sos n GLY 82 Ca 0.09 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.87 6.37 -0.14 1.61 1.01 -0.54 -0.22 116.67 122.91 1sos s ASP 83 Ca 0.29 -0.25 0.15 0.00 0.71 0.00 0.00 52.55 53.46 1sos s ASP 83 Cb 0.13 -2.38 0.50 0.00 1.01 0.00 0.00 42.92 42.18 1sos s ASP 83 CO 0.23 -0.97 1.41 0.18 0.21 0.00 0.00 175.17 176.23 1sos n LEU 84 N 6.79 3.81 0.00 1.23 4.77 -0.31 -4.00 117.00 129.29 1sos n LEU 84 Ca 0.01 -2.75 0.00 0.00 -0.03 0.00 0.00 56.01 53.25 1sos n LEU 84 Cb 0.48 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1sos n LEU 84 CO 0.59 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.95 1sos n GLY 85 N -0.13 1.87 3.17 -0.72 0.00 -1.10 -4.76 105.19 103.52 1sos n GLY 85 Ca 0.20 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.34 0.13 1.61 0.01 -1.26 -1.70 114.94 109.39 1sos s ASN 86 Ca 0.00 0.65 0.04 0.00 -0.71 0.00 0.00 52.86 52.84 1sos s ASN 86 Cb 0.00 0.60 -0.04 0.00 0.41 0.00 0.00 41.25 42.22 1sos s ASN 86 CO 0.00 -0.14 0.14 0.68 -1.51 0.00 0.00 177.10 176.27 1sos s VAL 87 N 0.69 4.64 -0.20 1.60 -7.23 0.27 -4.88 120.40 115.31 1sos s VAL 87 Ca -0.04 -0.91 0.01 0.00 -1.81 0.00 0.00 61.98 59.23 1sos s VAL 87 Cb -0.06 -3.33 0.03 0.00 0.56 0.00 0.00 36.38 33.59 1sos s VAL 87 CO -0.04 -0.03 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.68 1sos s THR 88 N -1.63 1.89 -0.04 5.32 2.01 -1.26 -1.22 115.64 120.69 1sos s THR 88 Ca 0.31 -1.05 -0.19 0.00 0.31 0.00 0.00 61.69 61.08 1sos s THR 88 Cb -0.11 -1.84 -0.05 0.00 0.01 0.00 0.00 72.50 70.51 1sos s THR 88 CO 0.24 0.31 0.52 0.00 -0.69 0.00 0.00 174.62 175.00 1sos s ALA 89 N 1.31 3.52 0.70 7.40 0.00 0.80 -4.23 121.76 131.26 1sos s ALA 89 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1sos s ALA 89 Cb -0.15 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.32 1sos s ALA 89 CO -0.10 0.16 0.00 -0.40 0.00 0.00 0.00 175.76 175.43 1sos n ASP 90 N 2.90 0.00 -0.31 0.00 5.68 -0.15 -0.50 116.55 124.17 1sos n ASP 90 Ca -0.08 -0.68 0.16 0.00 -0.50 0.00 0.00 54.79 53.69 1sos n ASP 90 Cb 0.51 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.83 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 0.20 -0.92 0.11 1.57 -1.97 0.50 116.57 116.06 1sos h LYS 91 Ca 0.00 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 1sos h LYS 91 Cb 0.00 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.19 1sos h LYS 91 CO 0.00 0.13 0.16 -0.25 -0.57 0.00 0.00 179.45 178.92 1sos n ASP 92 N -5.21 3.19 -0.92 0.86 8.00 -1.26 -4.79 116.55 116.42 1sos n ASP 92 Ca 0.24 -2.56 -0.10 0.00 0.71 0.00 0.00 54.79 53.09 1sos n ASP 92 Cb 0.77 -0.62 -0.04 0.00 -0.02 0.00 0.00 41.12 41.21 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 0.01 0.91 3.81 0.44 0.00 0.17 -4.67 105.19 105.86 1sos n GLY 93 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.70 5.28 -0.19 1.61 1.01 -1.26 -1.32 120.40 123.83 1sos s VAL 94 Ca 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.49 1sos s VAL 94 Cb 0.00 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1sos s VAL 94 CO 0.00 0.53 -0.14 0.00 0.00 0.00 0.00 175.10 175.49 1sos s ALA 95 N -0.53 2.51 -0.20 5.51 0.00 0.32 -0.98 121.76 128.38 1sos s ALA 95 Ca 0.18 -1.18 -0.13 0.00 0.00 0.00 0.00 51.96 50.83 1sos s ALA 95 Cb -0.14 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.58 1sos s ALA 95 CO 0.07 -0.33 0.27 -0.51 0.00 0.00 0.00 175.76 175.26 1sos s ASP 96 N 1.28 6.31 -0.14 0.00 1.01 -1.26 -1.32 116.67 122.56 1sos s ASP 96 Ca 0.04 0.36 -0.07 0.00 0.71 0.00 0.00 52.55 53.59 1sos s ASP 96 Cb -0.14 -2.17 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 1sos s ASP 96 CO -0.08 0.03 0.11 -0.69 0.21 0.00 0.00 175.17 174.75 1sos s VAL 97 N 0.95 5.22 -0.28 -1.27 1.01 0.40 -4.80 120.40 121.63 1sos s VAL 97 Ca 0.14 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 1sos s VAL 97 Cb -0.14 -3.30 0.17 0.00 0.00 0.00 0.00 36.38 33.12 1sos s VAL 97 CO 0.05 0.56 0.52 -0.55 0.00 0.00 0.00 175.10 175.68 1sos s SER 98 N -0.56 -0.80 0.04 3.32 0.15 -1.24 -2.24 113.70 112.36 1sos s SER 98 Ca 0.12 0.61 -0.01 0.00 0.70 0.00 0.00 55.95 57.37 1sos s SER 98 Cb -0.12 1.78 -0.03 0.00 -1.71 0.00 0.00 66.02 65.95 1sos s SER 98 CO 0.02 -0.28 -0.01 -0.63 1.20 0.00 0.00 173.24 173.54 1sos s ILE 99 N 2.74 0.17 -0.06 6.45 1.01 -0.58 -5.00 121.20 125.95 1sos s ILE 99 Ca 0.18 -1.41 0.02 0.00 0.00 0.00 0.00 60.65 59.44 1sos s ILE 99 Cb -0.15 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.32 1sos s ILE 99 CO -0.19 -0.78 -0.09 -1.61 0.00 0.00 0.00 174.94 172.26 1sos s GLU 100 N -2.92 1.38 0.02 2.79 2.02 -1.26 -1.12 118.70 119.60 1sos s GLU 100 Ca -0.02 -0.31 0.02 0.00 0.02 0.00 0.00 54.97 54.68 1sos s GLU 100 Cb 0.01 -1.19 -0.01 0.00 0.10 0.00 0.00 34.13 33.03 1sos s GLU 100 CO -0.06 -0.00 -0.06 0.34 0.02 0.00 0.00 175.26 175.49 1sos s ASP 101 N 0.72 0.67 0.00 -0.19 2.15 0.08 -4.98 116.67 115.12 1sos s ASP 101 Ca -0.13 -0.30 0.10 0.00 0.43 0.00 0.00 52.55 52.65 1sos s ASP 101 Cb -0.15 -0.01 0.22 0.00 -0.30 0.00 0.00 42.92 42.68 1sos s ASP 101 CO 0.02 -0.07 1.11 -1.20 -0.17 0.00 0.00 175.17 174.86 1sos n SER 102 N 2.27 2.55 -0.10 -0.34 7.64 -1.26 -0.86 113.62 123.51 1sos n SER 102 Ca -0.17 -1.81 -0.12 0.00 1.01 0.00 0.00 58.87 57.77 1sos n SER 102 Cb 0.57 -0.15 -0.13 0.00 -1.01 0.00 0.00 64.21 63.49 1sos n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1sos n VAL 103 N 0.52 1.29 -2.78 0.44 0.31 -1.26 -4.98 118.33 111.87 1sos n VAL 103 Ca 0.09 -0.64 -0.33 0.00 -0.01 0.00 0.00 64.34 63.45 1sos n VAL 103 Cb 0.37 -0.91 -0.06 0.00 -0.91 0.00 0.00 33.84 32.32 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 -2.45 4.29 0.23 2.52 -4.36 -1.26 -4.92 121.20 115.24 1sos s ILE 104 Ca -0.20 1.44 0.02 0.00 -0.26 0.00 0.00 60.65 61.65 1sos s ILE 104 Cb 0.07 -3.59 -0.05 0.00 1.25 0.00 0.00 42.46 40.14 1sos s ILE 104 CO 0.64 -0.29 0.06 -0.55 0.24 0.00 0.00 174.94 175.04 1sos s SER 105 N -2.13 1.22 0.00 4.36 0.15 -0.74 -4.40 113.70 112.15 1sos s SER 105 Ca 0.62 -1.30 0.22 0.00 0.70 0.00 0.00 55.95 56.19 1sos s SER 105 Cb -0.10 0.14 0.19 0.00 -1.71 0.00 0.00 66.02 64.54 1sos s SER 105 CO 0.14 -0.66 1.21 0.18 1.20 0.00 0.00 173.24 175.31 1sos n LEU 106 N -0.38 2.88 -3.97 3.45 4.77 -1.26 -2.14 117.00 120.36 1sos n LEU 106 Ca -0.03 -1.05 -0.10 0.00 -0.03 0.00 0.00 56.01 54.81 1sos n LEU 106 Cb 0.65 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.66 1sos n LEU 106 CO 0.36 0.50 0.06 -0.94 -1.33 0.00 0.00 177.39 176.04 1sos s SER 107 N -1.80 -0.03 0.00 -1.43 1.04 -1.26 -4.45 113.70 105.78 1sos s SER 107 Ca 0.27 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1sos s SER 107 Cb 0.19 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1sos s SER 107 CO 0.28 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 174.12 1sos n GLY 108 N -0.29 -0.83 0.91 7.32 0.00 -1.26 -4.10 105.19 106.94 1sos n GLY 108 Ca -0.05 -1.25 0.04 0.00 0.00 0.00 0.00 46.02 44.76 1sos n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sos n ASP 109 N 0.56 3.23 -0.95 1.61 8.00 -1.26 -3.28 116.55 124.46 1sos n ASP 109 Ca 0.00 -3.30 0.01 0.00 0.71 0.00 0.00 54.79 52.21 1sos n ASP 109 Cb 0.00 -0.57 0.21 0.00 -0.02 0.00 0.00 41.12 40.74 1sos n ASP 109 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1sos n HIS 110 N -0.83 0.83 -2.77 1.24 8.25 -1.26 -4.93 115.22 115.75 1sos n HIS 110 Ca 0.25 -1.41 -0.42 0.00 -0.26 0.00 0.00 57.72 55.88 1sos n HIS 110 Cb 0.92 -0.40 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 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 -2.56 7.04 0.00 0.41 0.15 -1.21 -1.80 113.70 115.73 1sos s SER 111 Ca 0.42 1.29 0.27 0.00 0.70 0.00 0.00 55.95 58.63 1sos s SER 111 Cb 0.38 -2.50 1.29 0.00 -1.71 0.00 0.00 66.02 63.48 1sos s SER 111 CO 0.01 -0.54 1.87 2.30 1.20 0.00 0.00 173.24 178.08 1sos n ILE 112 N 5.04 0.03 -2.48 6.45 -5.35 -0.91 -4.91 119.36 117.23 1sos n ILE 112 Ca 0.08 -0.16 -0.42 0.00 -0.27 0.00 0.00 62.75 61.99 1sos n ILE 112 Cb 0.47 0.07 -0.03 0.00 -1.74 0.00 0.00 39.64 38.41 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 -1.97 4.13 0.00 7.28 1.01 -1.26 -2.28 121.20 128.11 1sos s ILE 113 Ca 0.39 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.62 1sos s ILE 113 Cb 0.20 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1sos s ILE 113 CO 0.32 0.15 0.00 0.61 0.00 0.00 0.00 174.94 176.02 1sos n GLY 114 N 2.94 0.74 3.91 6.18 0.00 -0.15 -4.99 105.19 113.81 1sos n GLY 114 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.54 2.41 -0.18 1.61 0.52 -0.96 -1.89 118.95 119.92 1sos s ARG 115 Ca 0.00 -1.70 -0.08 0.00 -0.52 0.00 0.00 55.73 53.43 1sos s ARG 115 Cb 0.00 -2.34 -0.04 0.00 0.52 0.00 0.00 34.95 33.09 1sos s ARG 115 CO 0.00 -0.44 0.09 0.99 0.02 0.00 0.00 175.30 175.96 1sos s THR 116 N -2.60 5.05 -0.05 0.02 2.01 -1.14 -1.12 115.64 117.82 1sos s THR 116 Ca 0.46 0.06 -0.20 0.00 0.31 0.00 0.00 61.69 62.31 1sos s THR 116 Cb -0.03 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.15 1sos s THR 116 CO 0.28 0.47 0.58 -0.22 -0.69 0.00 0.00 174.62 175.04 1sos s LEU 117 N 0.21 4.36 -0.02 4.42 2.96 0.25 -0.65 118.68 130.21 1sos s LEU 117 Ca 0.06 1.07 0.04 0.00 -0.22 0.00 0.00 54.13 55.08 1sos s LEU 117 Cb -0.12 -2.89 -0.01 0.00 0.50 0.00 0.00 46.19 43.68 1sos s LEU 117 CO -0.00 0.03 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.23 1sos s VAL 118 N 0.23 1.10 -0.14 1.68 1.01 -0.19 -2.47 120.40 121.62 1sos s VAL 118 Ca 0.31 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1sos s VAL 118 Cb -0.17 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1sos s VAL 118 CO 0.15 0.32 -0.11 0.54 0.00 0.00 0.00 175.10 176.00 1sos s VAL 119 N -0.11 3.17 0.51 2.92 0.11 -0.88 -2.21 120.40 123.91 1sos s VAL 119 Ca 0.01 -0.61 0.02 0.00 -2.93 0.00 0.00 61.98 58.46 1sos s VAL 119 Cb -0.08 -2.35 0.02 0.00 -1.53 0.00 0.00 36.38 32.45 1sos s VAL 119 CO 0.00 0.51 0.72 -1.00 -3.33 0.00 0.00 175.10 172.01 1sos s HIS 120 N 0.46 2.95 0.06 1.54 3.76 -0.25 -0.63 115.29 123.18 1sos s HIS 120 Ca -0.08 0.00 -0.26 0.00 -0.15 0.00 0.00 55.06 54.57 1sos s HIS 120 Cb -0.16 -2.59 -0.17 0.00 1.11 0.00 0.00 32.58 30.78 1sos s HIS 120 CO 0.04 -0.68 1.58 1.49 -0.85 0.00 0.00 174.74 176.32 1sos h GLU 121 N 0.23 -0.28 -6.04 1.40 4.81 -0.32 -3.39 114.58 110.99 1sos h GLU 121 Ca -0.43 0.02 -0.56 0.00 -0.13 0.00 0.00 59.36 58.26 1sos h GLU 121 Cb 1.28 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.69 1sos h GLU 121 CO 0.53 -0.10 -0.29 0.15 -0.73 0.00 0.00 179.01 178.57 1sos s LYS 122 N -5.72 2.28 0.27 1.92 1.02 0.91 -4.82 119.74 115.60 1sos s LYS 122 Ca -0.15 -1.93 -0.29 0.00 0.02 0.00 0.00 55.97 53.62 1sos s LYS 122 Cb 0.04 -2.19 -0.09 0.00 -0.52 0.00 0.00 37.83 35.07 1sos s LYS 122 CO 0.63 -0.60 1.07 0.00 -0.92 0.00 0.00 175.35 175.53 1sos s ALA 123 N -2.73 3.39 -0.02 5.17 0.00 -1.15 -0.24 121.76 126.19 1sos s ALA 123 Ca 0.39 0.85 -0.26 0.00 0.00 0.00 0.00 51.96 52.94 1sos s ALA 123 Cb -0.03 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1sos s ALA 123 CO 0.24 -0.10 0.81 0.34 0.00 0.00 0.00 175.76 177.05 1sos s ASP 124 N -0.93 7.17 0.00 0.00 2.15 -1.26 -4.22 116.67 119.58 1sos s ASP 124 Ca 0.44 1.41 0.27 0.00 0.43 0.00 0.00 52.55 55.10 1sos s ASP 124 Cb -0.31 -2.48 1.18 0.00 -0.30 0.00 0.00 42.92 41.01 1sos s ASP 124 CO 0.39 -0.14 1.88 -0.90 -0.17 0.00 0.00 175.17 176.23 1sos n ASP 125 N 3.60 0.00 -0.59 -0.34 5.68 0.38 -4.94 116.55 120.34 1sos n ASP 125 Ca 0.01 0.44 -0.06 0.00 -0.50 0.00 0.00 54.79 54.68 1sos n ASP 125 Cb 0.51 -0.48 -0.01 0.00 -1.14 0.00 0.00 41.12 40.00 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 -1.48 -1.04 0.00 -2.12 4.77 -1.26 -2.78 117.00 113.09 1sos n LEU 126 Ca 0.07 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1sos n LEU 126 Cb 0.31 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 1sos n LEU 126 CO 0.25 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1sos n GLY 127 N -1.33 1.26 2.47 -0.72 0.00 -1.26 -3.44 105.19 102.17 1sos n GLY 127 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 2.49 0.00 1.61 4.76 -1.12 -4.32 118.16 119.58 1sos n LYS 128 Ca 0.00 -2.86 0.06 0.00 -2.87 0.00 0.00 58.31 52.64 1sos n LYS 128 Cb 0.00 -2.13 0.00 0.00 -1.84 0.00 0.00 35.03 31.06 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 -0.20 -0.12 4.20 0.72 0.00 -1.26 -4.98 105.19 103.55 1sos n GLY 129 Ca 0.51 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 0.97 2.31 3.99 -0.02 0.00 -1.26 -4.94 105.19 106.24 1sos n GLY 130 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.08 4.76 0.06 1.61 2.20 -1.26 -5.03 114.94 116.20 1sos s ASN 131 Ca 0.00 -0.33 -0.23 0.00 -0.94 0.00 0.00 52.86 51.36 1sos s ASN 131 Cb 0.00 -0.24 -0.15 0.00 -2.00 0.00 0.00 41.25 38.86 1sos s ASN 131 CO 0.00 -1.55 1.60 -0.08 -2.94 0.00 0.00 177.10 174.13 1sos h GLU 132 N -0.22 0.07 -0.13 3.55 4.81 -2.00 -3.00 114.58 117.66 1sos h GLU 132 Ca -0.37 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.84 1sos h GLU 132 Cb 1.28 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1sos h GLU 132 CO 0.44 0.21 0.04 0.93 -0.73 0.00 0.00 179.01 179.90 1sos h GLU 133 N -0.09 0.18 -0.39 1.92 4.39 -1.98 -1.21 114.58 117.39 1sos h GLU 133 Ca 0.01 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.78 1sos h GLU 133 Cb 0.16 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 28.69 1sos h GLU 133 CO -0.00 0.16 -0.17 1.03 -1.16 0.00 0.00 179.01 178.87 1sos h SER 134 N 0.18 -0.59 0.04 1.42 0.87 -1.86 0.14 113.55 113.74 1sos h SER 134 Ca 0.05 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1sos h SER 134 Cb 0.06 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1sos h SER 134 CO -0.00 -0.21 0.00 0.35 -0.53 0.00 0.00 176.83 176.44 1sos n THR 135 N -5.36 0.01 -0.07 2.23 -2.24 -0.47 -0.69 114.28 107.69 1sos n THR 135 Ca 0.02 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.70 1sos n THR 135 Cb 0.27 -0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 67.89 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 -1.02 0.31 0.00 -0.78 5.02 -0.62 -1.50 118.16 119.56 1sos n LYS 136 Ca 0.21 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1sos n LYS 136 Cb 0.11 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 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 -3.09 0.02 -1.83 -0.18 -2.24 0.39 -4.73 114.28 102.61 1sos n THR 137 Ca -0.24 -0.03 -0.20 0.00 -2.27 0.00 0.00 64.05 61.31 1sos n THR 137 Cb 0.73 1.58 -0.06 0.00 -2.10 0.00 0.00 70.33 70.48 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 -0.01 1.21 3.92 3.38 0.00 0.13 -3.30 105.19 110.52 1sos n GLY 138 Ca 0.00 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.46 -0.87 -0.35 1.61 4.13 -1.25 -0.47 115.26 116.60 1sos n ASN 139 Ca -0.21 -1.00 0.13 0.00 1.68 0.00 0.00 54.58 55.17 1sos n ASN 139 Cb 0.67 -3.11 0.34 0.00 -1.54 0.00 0.00 39.78 36.14 1sos n ASN 139 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sos n ALA 140 N -4.38 3.03 0.00 5.41 0.00 -1.21 -4.66 120.51 118.70 1sos n ALA 140 Ca -0.29 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1sos n ALA 140 Cb 0.68 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 1.32 -1.62 3.72 0.00 0.00 -1.26 -0.06 105.19 107.29 1sos n GLY 141 Ca 0.13 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 1sos n GLY 141 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sos s SER 142 N -4.00 4.16 -0.57 1.61 0.01 -1.26 -4.62 113.70 109.03 1sos s SER 142 Ca 0.00 2.39 -0.28 0.00 1.31 0.00 0.00 55.95 59.36 1sos s SER 142 Cb 0.00 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.67 1sos s SER 142 CO 0.00 -2.29 1.21 -0.13 0.41 0.00 0.00 173.24 172.44 1sos s ARG 143 N -3.88 3.52 -0.00 12.44 0.52 -1.26 -0.02 118.95 130.26 1sos s ARG 143 Ca 0.75 0.31 -0.03 0.00 -0.52 0.00 0.00 55.73 56.24 1sos s ARG 143 Cb -0.30 -4.01 -0.28 0.00 0.52 0.00 0.00 34.95 30.88 1sos s ARG 143 CO 0.45 -1.68 0.83 -0.07 0.02 0.00 0.00 175.30 174.85 1sos h LEU 144 N 11.97 0.39 -7.81 2.53 3.38 -1.17 -3.48 115.31 121.11 1sos h LEU 144 Ca -0.25 -0.55 -0.14 0.00 0.09 0.00 0.00 57.88 57.02 1sos h LEU 144 Cb 1.06 -0.13 -0.20 0.00 0.09 0.00 0.00 40.66 41.48 1sos h LEU 144 CO 1.18 1.46 -0.53 0.00 0.09 0.00 0.00 178.44 180.64 1sos s ALA 145 N -2.61 -0.21 0.16 1.53 0.00 -1.18 -4.17 121.76 115.28 1sos s ALA 145 Ca -0.10 -0.29 -0.24 0.00 0.00 0.00 0.00 51.96 51.34 1sos s ALA 145 Cb 0.07 0.15 0.06 0.00 0.00 0.00 0.00 23.12 23.39 1sos s ALA 145 CO 0.85 -0.22 0.81 0.00 0.00 0.00 0.00 175.76 177.19 1sos s GLY 147 N -2.80 -0.33 -0.02 0.00 0.00 -1.03 -0.93 107.32 102.21 1sos s GLY 147 Ca 0.08 1.58 -0.24 0.00 0.00 0.00 0.00 44.72 46.13 1sos s GLY 147 CO -0.02 0.64 0.74 0.14 0.00 0.00 0.00 173.10 174.61 1sos s VAL 148 N -2.20 4.92 -0.33 1.40 1.01 -1.26 -0.58 120.40 123.36 1sos s VAL 148 Ca 0.04 1.55 -0.29 0.00 0.00 0.00 0.00 61.98 63.29 1sos s VAL 148 Cb -0.01 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 1sos s VAL 148 CO -0.05 0.29 1.57 -0.63 0.00 0.00 0.00 175.10 176.29 1sos s ILE 149 N 0.47 3.74 0.23 2.22 1.09 -0.27 -4.49 121.20 124.17 1sos s ILE 149 Ca 0.39 0.78 0.04 0.00 -1.10 0.00 0.00 60.65 60.76 1sos s ILE 149 Cb -0.19 -3.90 -0.03 0.00 -1.06 0.00 0.00 42.46 37.28 1sos s ILE 149 CO 0.21 -0.51 0.36 -0.83 -0.10 0.00 0.00 174.94 174.07 1sos s GLY 150 N 4.58 1.35 0.24 6.18 0.00 -0.12 -0.98 107.32 118.57 1sos s GLY 150 Ca 0.69 -1.15 -0.30 0.00 0.00 0.00 0.00 44.72 43.97 1sos s GLY 150 CO 0.31 -1.15 1.17 -0.42 0.00 0.00 0.00 173.10 173.00 1sos s ILE 151 N -1.95 3.45 0.00 0.90 1.01 -1.26 -1.29 121.20 122.06 1sos s ILE 151 Ca 0.35 1.34 0.00 0.00 0.00 0.00 0.00 60.65 62.34 1sos s ILE 151 Cb -0.10 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.52 1sos s ILE 151 CO 0.29 0.27 0.00 0.00 0.00 0.00 0.00 174.94 175.50 1sos n ALA 152 N 1.78 0.00 -1.61 9.38 0.00 -0.92 -4.76 120.51 124.38 1sos n ALA 152 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1sos n ALA 152 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1sos n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44