#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 1.15 -3.84 0.00 1.35 -1.93 -3.44 112.91 106.20 1sos h THR 2 Ca 0.00 -2.63 -0.28 0.00 -0.55 0.00 0.00 66.41 62.95 1sos h THR 2 Cb 0.00 2.56 -0.28 0.00 -1.73 0.00 0.00 68.15 68.70 1sos h THR 2 CO 0.00 0.65 -0.74 -0.54 -0.25 0.00 0.00 175.52 174.64 1sos s LYS 3 N -2.87 0.25 0.29 4.72 1.02 -1.26 -0.07 119.74 121.82 1sos s LYS 3 Ca 0.03 -0.14 0.03 0.00 0.02 0.00 0.00 55.97 55.91 1sos s LYS 3 Cb 0.08 -0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 37.13 1sos s LYS 3 CO 0.77 0.06 0.15 0.00 -0.92 0.00 0.00 175.35 175.41 1sos s ALA 4 N -0.14 1.85 -0.02 5.17 0.00 0.04 -1.41 121.76 127.24 1sos s ALA 4 Ca 0.00 -1.78 -0.30 0.00 0.00 0.00 0.00 51.96 49.89 1sos s ALA 4 Cb -0.02 1.16 0.07 0.00 0.00 0.00 0.00 23.12 24.34 1sos s ALA 4 CO -0.00 -0.51 0.68 0.54 0.00 0.00 0.00 175.76 176.47 1sos s VAL 5 N -3.68 0.00 -0.10 0.00 0.11 -0.79 -1.51 120.40 114.43 1sos s VAL 5 Ca 0.36 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.35 1sos s VAL 5 Cb 0.06 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1sos s VAL 5 CO 0.16 0.00 0.25 0.00 -3.33 0.00 0.00 175.10 172.18 1sos s ALA 6 N -1.56 -0.58 -0.29 1.54 0.00 0.15 -0.53 121.76 120.50 1sos s ALA 6 Ca -0.09 0.91 -0.12 0.00 0.00 0.00 0.00 51.96 52.65 1sos s ALA 6 Cb -0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1sos s ALA 6 CO 0.06 -0.17 0.24 0.08 0.00 0.00 0.00 175.76 175.97 1sos s VAL 7 N 0.90 5.28 -0.08 0.00 1.01 -1.26 -1.23 120.40 125.02 1sos s VAL 7 Ca -0.06 0.18 -0.20 0.00 0.00 0.00 0.00 61.98 61.89 1sos s VAL 7 Cb -0.08 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1sos s VAL 7 CO -0.06 0.18 0.58 -0.76 0.00 0.00 0.00 175.10 175.04 1sos s LEU 8 N 1.82 4.32 0.00 3.92 1.02 0.36 -3.94 118.68 126.18 1sos s LEU 8 Ca 0.08 1.01 -0.04 0.00 0.02 0.00 0.00 54.13 55.21 1sos s LEU 8 Cb -0.16 -2.87 -0.01 0.00 0.02 0.00 0.00 46.19 43.17 1sos s LEU 8 CO 0.11 -0.02 0.07 -0.75 0.02 0.00 0.00 176.35 175.78 1sos s LYS 9 N 0.51 0.35 0.00 1.70 2.20 -0.45 -2.52 119.74 121.52 1sos s LYS 9 Ca 0.31 -0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.54 1sos s LYS 9 Cb -0.17 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 1sos s LYS 9 CO 0.14 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.47 1sos n GLY 10 N 1.81 3.53 3.09 5.54 0.00 -1.22 -2.25 105.19 115.69 1sos n GLY 10 Ca -0.21 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.03 5.92 0.00 1.61 8.00 -1.26 -4.87 116.55 123.93 1sos n ASP 11 Ca 0.00 -3.25 0.00 0.00 0.71 0.00 0.00 54.79 52.25 1sos n ASP 11 Cb 0.00 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 39.75 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 2.06 -0.51 0.21 0.44 0.00 -1.26 -4.97 105.19 101.16 1sos n GLY 12 Ca 0.29 -1.27 0.07 0.00 0.00 0.00 0.00 46.02 45.11 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 0.40 0.00 -6.31 1.61 0.11 -1.89 -3.45 132.00 122.47 1sos h PRO 13 Ca 0.00 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.56 1sos h PRO 13 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1sos h PRO 13 CO 0.00 0.30 0.74 0.08 -0.21 0.00 0.00 178.00 178.91 1sos s VAL 14 N -3.82 4.16 0.11 3.15 1.01 -1.25 -4.38 120.40 119.38 1sos s VAL 14 Ca -0.01 1.49 -0.20 0.00 0.00 0.00 0.00 61.98 63.26 1sos s VAL 14 Cb 0.12 -3.96 0.05 0.00 0.00 0.00 0.00 36.38 32.59 1sos s VAL 14 CO 0.66 -0.01 0.49 0.00 0.00 0.00 0.00 175.10 176.24 1sos s GLN 15 N 2.37 1.12 -0.12 2.72 -2.07 -0.90 -3.44 119.66 119.35 1sos s GLN 15 Ca 0.57 -0.51 -0.34 0.00 -1.82 0.00 0.00 55.36 53.27 1sos s GLN 15 Cb -0.26 0.51 0.15 0.00 -1.09 0.00 0.00 33.01 32.32 1sos s GLN 15 CO 0.22 -0.45 1.44 0.20 -1.32 0.00 0.00 175.29 175.39 1sos s GLY 16 N -2.55 -0.47 -0.09 2.60 0.00 -1.05 -0.82 107.32 104.94 1sos s GLY 16 Ca 0.00 1.08 0.02 0.00 0.00 0.00 0.00 44.72 45.83 1sos s GLY 16 CO -0.09 0.23 -0.15 -0.42 0.00 0.00 0.00 173.10 172.67 1sos s ILE 17 N -2.01 1.38 -0.04 0.90 1.01 -0.72 -0.49 121.20 121.24 1sos s ILE 17 Ca 0.15 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.25 1sos s ILE 17 Cb 0.07 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.27 1sos s ILE 17 CO -0.06 0.41 -0.20 -0.63 0.00 0.00 0.00 174.94 174.46 1sos s ILE 18 N 0.80 1.65 0.04 2.92 -1.09 -0.36 -2.20 121.20 122.95 1sos s ILE 18 Ca -0.11 -0.86 0.08 0.00 -2.23 0.00 0.00 60.65 57.53 1sos s ILE 18 Cb -0.16 -1.39 -0.03 0.00 -1.58 0.00 0.00 42.46 39.30 1sos s ILE 18 CO 0.02 0.47 -0.22 0.20 -1.23 0.00 0.00 174.94 174.18 1sos s ASN 19 N -0.21 3.51 -0.06 3.58 0.01 0.07 -0.68 114.94 121.17 1sos s ASN 19 Ca 0.01 -0.50 0.04 0.00 -0.71 0.00 0.00 52.86 51.70 1sos s ASN 19 Cb -0.11 -0.46 -0.00 0.00 0.41 0.00 0.00 41.25 41.09 1sos s ASN 19 CO 0.01 0.26 -0.19 -0.36 -1.51 0.00 0.00 177.10 175.31 1sos s PHE 20 N -0.87 1.91 -0.05 2.20 0.40 -0.57 -1.04 117.98 119.96 1sos s PHE 20 Ca 0.13 -0.61 0.01 0.00 -0.60 0.00 0.00 56.93 55.87 1sos s PHE 20 Cb -0.10 -1.29 0.02 0.00 0.51 0.00 0.00 43.02 42.16 1sos s PHE 20 CO 0.04 -0.22 -0.07 -2.00 0.70 0.00 0.00 175.22 173.66 1sos s GLU 21 N 0.13 1.11 -0.16 0.44 2.12 -0.46 -0.78 118.70 121.10 1sos s GLU 21 Ca -0.07 -0.20 -0.00 0.00 0.36 0.00 0.00 54.97 55.05 1sos s GLU 21 Cb -0.13 -1.02 0.04 0.00 0.26 0.00 0.00 34.13 33.27 1sos s GLU 21 CO 0.04 -0.05 -0.07 -1.14 -0.54 0.00 0.00 175.26 173.50 1sos s GLN 22 N 0.84 1.54 0.12 4.30 0.74 0.90 -0.73 119.66 127.37 1sos s GLN 22 Ca -0.12 -0.49 0.07 0.00 0.05 0.00 0.00 55.36 54.87 1sos s GLN 22 Cb -0.15 -1.95 -0.20 0.00 1.10 0.00 0.00 33.01 31.81 1sos s GLN 22 CO 0.01 -0.39 1.28 -0.22 -0.55 0.00 0.00 175.29 175.43 1sos h LYS 23 N 8.12 0.00 -3.25 1.67 3.64 -1.81 -3.39 116.57 121.55 1sos h LYS 23 Ca -0.26 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.99 1sos h LYS 23 Cb 1.12 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.74 1sos h LYS 23 CO 0.41 0.99 -0.36 -1.83 -2.27 0.00 0.00 179.45 176.40 1sos s GLU 24 N -2.72 0.61 0.23 1.90 1.03 -1.26 -5.02 118.70 113.46 1sos s GLU 24 Ca 0.01 -0.31 0.15 0.00 0.03 0.00 0.00 54.97 54.85 1sos s GLU 24 Cb 0.10 0.26 0.82 0.00 -0.80 0.00 0.00 34.13 34.51 1sos s GLU 24 CO 0.82 -0.16 1.45 -1.13 -1.33 0.00 0.00 175.26 174.91 1sos n SER 25 N 1.27 0.39 -0.02 0.83 3.41 -1.26 -0.22 113.62 118.03 1sos n SER 25 Ca -0.22 0.67 0.08 0.00 -0.26 0.00 0.00 58.87 59.14 1sos n SER 25 Cb 0.56 -0.72 -0.09 0.00 -0.26 0.00 0.00 64.21 63.70 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 -2.03 0.80 -4.81 4.04 6.94 -1.26 -4.84 115.26 114.10 1sos n ASN 26 Ca -0.01 -0.90 -0.29 0.00 -0.02 0.00 0.00 54.58 53.35 1sos n ASN 26 Cb 0.04 0.98 0.10 0.00 -2.36 0.00 0.00 39.78 38.54 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 -2.50 1.60 0.67 4.83 0.00 0.69 -5.05 107.32 107.57 1sos s GLY 27 Ca 0.06 -0.39 -0.16 0.00 0.00 0.00 0.00 44.72 44.23 1sos s GLY 27 CO 0.65 0.09 1.18 2.56 0.00 0.00 0.00 173.10 177.58 1sos s PRO 28 N -5.27 2.57 -0.02 2.90 0.04 -1.26 -4.84 135.00 129.12 1sos s PRO 28 Ca 0.62 1.67 0.04 0.00 0.04 0.00 0.00 61.00 63.37 1sos s PRO 28 Cb -0.14 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 1sos s PRO 28 CO 0.53 -1.48 -0.14 0.14 0.04 0.00 0.00 177.00 176.09 1sos s VAL 29 N -1.98 3.06 -0.16 -0.36 -7.23 0.02 -4.39 120.40 109.38 1sos s VAL 29 Ca 0.73 -0.85 -0.09 0.00 -1.81 0.00 0.00 61.98 59.96 1sos s VAL 29 Cb -0.27 -2.24 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 1sos s VAL 29 CO 0.40 0.50 0.15 -0.54 -0.31 0.00 0.00 175.10 175.31 1sos s LYS 30 N -1.00 3.86 -0.20 4.82 1.02 0.09 -1.13 119.74 127.22 1sos s LYS 30 Ca 0.13 -0.14 0.01 0.00 0.02 0.00 0.00 55.97 55.99 1sos s LYS 30 Cb -0.11 -3.31 0.03 0.00 -0.52 0.00 0.00 37.83 33.92 1sos s LYS 30 CO 0.03 0.52 -0.17 0.54 -0.92 0.00 0.00 175.35 175.34 1sos s VAL 31 N -0.28 2.04 0.10 3.17 0.11 0.58 -1.36 120.40 124.76 1sos s VAL 31 Ca 0.12 -1.07 0.05 0.00 -2.93 0.00 0.00 61.98 58.15 1sos s VAL 31 Cb -0.12 -1.92 -0.03 0.00 -1.53 0.00 0.00 36.38 32.78 1sos s VAL 31 CO 0.01 0.41 -0.12 -1.66 -3.33 0.00 0.00 175.10 170.41 1sos s TRP 32 N 1.27 1.20 -4.21 1.54 -2.14 -0.20 -1.66 118.94 114.74 1sos s TRP 32 Ca 0.02 -0.56 0.00 0.00 2.66 0.00 0.00 56.10 58.22 1sos s TRP 32 Cb -0.15 -0.65 0.00 0.00 -3.10 0.00 0.00 33.47 29.57 1sos s TRP 32 CO -0.11 0.06 0.00 0.41 -2.66 0.00 0.00 176.95 174.65 1sos n GLY 33 N 0.80 -0.74 3.02 3.67 0.00 -1.10 -0.75 105.19 110.11 1sos n GLY 33 Ca -0.18 -1.07 -0.22 0.00 0.00 0.00 0.00 46.02 44.56 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 1.41 0.00 1.61 0.01 -0.94 -0.91 113.70 110.88 1sos s SER 34 Ca 0.00 -0.22 0.08 0.00 1.31 0.00 0.00 55.95 57.11 1sos s SER 34 Cb 0.00 -0.40 -0.02 0.00 0.21 0.00 0.00 66.02 65.80 1sos s SER 34 CO 0.00 0.08 -0.23 -0.63 0.41 0.00 0.00 173.24 172.87 1sos s ILE 35 N 0.21 2.34 0.11 1.44 1.01 -0.63 -1.76 121.20 123.91 1sos s ILE 35 Ca -0.04 -1.14 0.06 0.00 0.00 0.00 0.00 60.65 59.53 1sos s ILE 35 Cb -0.10 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 1sos s ILE 35 CO 0.01 0.49 -0.14 -0.54 0.00 0.00 0.00 174.94 174.76 1sos s LYS 36 N -0.91 0.96 0.00 2.79 1.02 0.00 -0.06 119.74 123.54 1sos s LYS 36 Ca 0.11 -1.17 0.00 0.00 0.02 0.00 0.00 55.97 54.94 1sos s LYS 36 Cb -0.10 -0.87 0.00 0.00 -0.52 0.00 0.00 37.83 36.34 1sos s LYS 36 CO 0.01 0.17 0.00 0.41 -0.92 0.00 0.00 175.35 175.02 1sos n GLY 37 N 0.72 0.55 3.89 -3.33 0.00 -1.08 -2.11 105.19 103.84 1sos n GLY 37 Ca -0.17 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 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 0.37 0.99 2.01 -0.46 -4.42 118.68 120.55 1sos s LEU 38 Ca 0.00 1.07 -0.22 0.00 0.01 0.00 0.00 54.13 54.99 1sos s LEU 38 Cb 0.00 -4.02 -0.10 0.00 0.01 0.00 0.00 46.19 42.07 1sos s LEU 38 CO 0.00 -0.81 0.92 0.42 1.01 0.00 0.00 176.35 177.88 1sos s THR 39 N -2.98 4.36 0.43 5.49 -4.23 -1.26 -4.16 115.64 113.30 1sos s THR 39 Ca 0.52 1.55 -0.22 0.00 -1.18 0.00 0.00 61.69 62.36 1sos s THR 39 Cb -0.11 -3.76 -0.13 0.00 1.34 0.00 0.00 72.50 69.85 1sos s THR 39 CO 0.48 -0.12 0.47 1.21 -0.54 0.00 0.00 174.62 176.13 1sos n GLU 40 N -0.12 0.48 0.00 3.99 2.13 -1.26 -4.62 120.64 121.24 1sos n GLU 40 Ca 0.04 0.18 0.00 0.00 0.66 0.00 0.00 57.16 58.04 1sos n GLU 40 Cb 0.52 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.78 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 1.87 -1.36 3.72 8.31 0.00 -0.57 -4.89 105.19 112.26 1sos n GLY 41 Ca 0.11 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 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 4.39 -0.05 0.99 1.02 -1.26 -1.56 118.68 122.21 1sos s LEU 42 Ca 0.00 1.94 0.00 0.00 0.02 0.00 0.00 54.13 56.09 1sos s LEU 42 Cb 0.00 -3.58 0.02 0.00 0.02 0.00 0.00 46.19 42.65 1sos s LEU 42 CO 0.00 -0.37 -0.02 -1.00 0.02 0.00 0.00 176.35 174.98 1sos s HIS 43 N 0.79 0.64 0.51 0.29 3.76 -0.77 -2.57 115.29 117.94 1sos s HIS 43 Ca 0.55 -0.16 -0.23 0.00 -0.15 0.00 0.00 55.06 55.08 1sos s HIS 43 Cb -0.27 -0.65 -0.06 0.00 1.11 0.00 0.00 32.58 32.71 1sos s HIS 43 CO 0.30 -0.22 1.35 0.20 -0.85 0.00 0.00 174.74 175.53 1sos s GLY 44 N 1.21 2.89 -0.11 -2.22 0.00 0.09 -1.75 107.32 107.42 1sos s GLY 44 Ca -0.07 1.32 -0.04 0.00 0.00 0.00 0.00 44.72 45.94 1sos s GLY 44 CO -0.02 1.86 0.11 -0.12 0.00 0.00 0.00 173.10 174.94 1sos s PHE 45 N -1.30 0.01 0.12 1.90 5.36 0.28 -0.01 117.98 124.33 1sos s PHE 45 Ca 0.68 0.14 -0.07 0.00 -0.96 0.00 0.00 56.93 56.72 1sos s PHE 45 Cb -0.40 -0.49 -0.01 0.00 -0.34 0.00 0.00 43.02 41.78 1sos s PHE 45 CO 0.49 -0.37 0.18 -1.01 -1.46 0.00 0.00 175.22 173.05 1sos s HIS 46 N 2.21 0.36 -0.21 10.12 3.76 -0.59 -3.01 115.29 127.92 1sos s HIS 46 Ca 0.04 -0.77 -0.08 0.00 -0.15 0.00 0.00 55.06 54.09 1sos s HIS 46 Cb -0.14 -0.14 -0.04 0.00 1.11 0.00 0.00 32.58 33.37 1sos s HIS 46 CO -0.07 -0.59 0.09 0.08 -0.85 0.00 0.00 174.74 173.41 1sos s VAL 47 N -3.93 4.90 0.24 -0.90 1.01 -0.76 -0.31 120.40 120.65 1sos s VAL 47 Ca 0.12 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.17 1sos s VAL 47 Cb 0.05 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1sos s VAL 47 CO -0.06 0.41 0.24 -1.00 0.00 0.00 0.00 175.10 174.69 1sos s HIS 48 N 0.70 3.21 0.10 5.22 3.76 0.29 -1.05 115.29 127.53 1sos s HIS 48 Ca 0.05 -0.07 -0.24 0.00 -0.15 0.00 0.00 55.06 54.64 1sos s HIS 48 Cb -0.13 -1.46 -0.10 0.00 1.11 0.00 0.00 32.58 31.99 1sos s HIS 48 CO 0.02 0.50 1.69 1.49 -0.85 0.00 0.00 174.74 177.59 1sos h GLU 49 N 1.51 -0.23 -5.94 1.40 4.81 -0.61 -2.92 114.58 112.60 1sos h GLU 49 Ca -0.49 0.02 -0.64 0.00 -0.13 0.00 0.00 59.36 58.11 1sos h GLU 49 Cb 1.23 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.59 1sos h GLU 49 CO 0.61 -0.15 -0.54 -0.06 -0.73 0.00 0.00 179.01 178.14 1sos s PHE 50 N -6.15 3.40 -0.83 0.92 0.08 0.26 -4.66 117.98 111.01 1sos s PHE 50 Ca -0.14 0.25 -0.03 0.00 0.12 0.00 0.00 56.93 57.13 1sos s PHE 50 Cb 0.07 -1.76 0.21 0.00 -0.57 0.00 0.00 43.02 40.98 1sos s PHE 50 CO 0.66 0.59 2.30 0.41 -0.10 0.00 0.00 175.22 179.08 1sos n GLY 51 N 0.86 5.19 3.03 4.36 0.00 -0.87 -3.50 105.19 114.27 1sos n GLY 51 Ca -0.10 -2.23 -0.32 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.42 4.26 -0.48 1.61 -1.08 -1.26 -4.93 116.67 114.36 1sos s ASP 52 Ca 0.52 -1.32 0.03 0.00 -0.52 0.00 0.00 52.55 51.26 1sos s ASP 52 Cb 0.34 -1.45 0.45 0.00 -1.46 0.00 0.00 42.92 40.80 1sos s ASP 52 CO -0.25 -0.20 1.57 0.59 0.52 0.00 0.00 175.17 177.39 1sos n ASN 53 N 4.50 6.16 0.09 -0.34 5.03 -1.26 -3.41 115.26 126.03 1sos n ASN 53 Ca -0.14 -3.77 -0.06 0.00 0.87 0.00 0.00 54.58 51.48 1sos n ASN 53 Cb 0.43 -0.64 0.03 0.00 -1.02 0.00 0.00 39.78 38.57 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 1.73 1.50 -0.72 3.41 1.35 -1.93 -3.17 112.91 115.09 1sos h THR 54 Ca 0.47 -2.56 -0.50 0.00 -0.55 0.00 0.00 66.41 63.27 1sos h THR 54 Cb 1.13 2.40 -0.33 0.00 -1.73 0.00 0.00 68.15 69.61 1sos h THR 54 CO 1.13 0.74 -0.30 0.00 -0.25 0.00 0.00 175.52 176.85 1sos n ALA 55 N -2.44 5.18 -0.33 6.62 0.00 -1.26 -5.04 120.51 123.24 1sos n ALA 55 Ca -0.02 -3.60 0.00 0.00 0.00 0.00 0.00 53.44 49.81 1sos n ALA 55 Cb 0.76 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.84 0.82 0.24 0.00 0.00 -1.20 -3.32 105.19 100.88 1sos n GLY 56 Ca 0.46 -0.82 0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 1.31 0.00 0.00 1.35 -1.90 -2.80 112.91 110.86 1sos h THR 58 Ca 0.00 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.32 1sos h THR 58 Cb 0.73 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1sos h THR 58 CO 0.00 0.47 0.00 -1.54 -0.25 0.00 0.00 175.52 174.20 1sos n SER 59 N -4.03 0.00 0.18 5.36 3.41 -1.23 -3.45 113.62 113.86 1sos n SER 59 Ca -0.01 -0.06 0.14 0.00 -0.26 0.00 0.00 58.87 58.67 1sos n SER 59 Cb 0.49 -0.21 0.54 0.00 -0.26 0.00 0.00 64.21 64.78 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 2.74 1.00 0.00 7.33 0.00 -1.51 -3.42 119.26 125.40 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 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 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 -1.65 3.97 0.00 0.00 -1.22 -0.58 105.19 105.78 1sos n GLY 61 Ca 0.02 -1.47 -0.27 0.00 0.00 0.00 0.00 46.02 44.30 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 0.94 0.42 1.61 0.04 -1.26 -4.61 135.00 132.14 1sos s PRO 62 Ca 0.00 -0.84 -0.26 0.00 0.04 0.00 0.00 61.00 59.94 1sos s PRO 62 Cb 0.00 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 1sos s PRO 62 CO 0.00 -2.09 1.34 0.72 0.04 0.00 0.00 177.00 177.01 1sos n HIS 63 N -3.40 2.41 -1.86 0.56 8.25 -1.26 -0.57 115.22 119.34 1sos n HIS 63 Ca 0.16 0.48 -0.42 0.00 -0.26 0.00 0.00 57.72 57.68 1sos n HIS 63 Cb 0.60 -2.42 -0.03 0.00 1.12 0.00 0.00 29.99 29.26 1sos n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1sos s PHE 64 N -1.18 2.63 -0.42 4.41 5.36 -0.21 -4.42 117.98 124.14 1sos s PHE 64 Ca 0.60 0.35 0.08 0.00 -0.96 0.00 0.00 56.93 57.00 1sos s PHE 64 Cb -0.49 -4.02 0.29 0.00 -0.34 0.00 0.00 43.02 38.46 1sos s PHE 64 CO 0.59 -3.98 0.79 -1.71 -1.46 0.00 0.00 175.22 169.45 1sos n ASN 65 N 4.91 -0.89 0.30 6.13 5.15 -1.26 -1.82 115.26 127.78 1sos n ASN 65 Ca 0.16 -3.13 0.16 0.00 -0.60 0.00 0.00 54.58 51.17 1sos n ASN 65 Cb 0.39 0.47 0.93 0.00 -0.53 0.00 0.00 39.78 41.04 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 3.52 0.00 -0.62 1.20 0.13 -1.93 -2.50 132.00 131.79 1sos h PRO 66 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1sos h PRO 66 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1sos h PRO 66 CO 0.37 0.03 0.00 1.28 -0.23 0.00 0.00 178.00 179.45 1sos n LEU 67 N -3.63 3.46 -4.26 1.56 4.77 -1.26 -4.95 117.00 112.69 1sos n LEU 67 Ca -0.03 -1.73 -0.34 0.00 -0.03 0.00 0.00 56.01 53.88 1sos n LEU 67 Cb 0.12 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 40.72 1sos n LEU 67 CO 0.27 0.80 -0.21 -1.20 -1.33 0.00 0.00 177.39 175.72 1sos n SER 68 N 1.23 -1.30 -4.81 -1.43 7.64 -0.94 -4.97 113.62 109.04 1sos n SER 68 Ca 0.21 -1.13 -0.24 0.00 1.01 0.00 0.00 58.87 58.72 1sos n SER 68 Cb 0.57 -2.30 0.08 0.00 -1.01 0.00 0.00 64.21 61.55 1sos n SER 68 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1sos s ARG 69 N -7.02 2.04 0.50 1.43 6.06 -1.26 -5.10 118.95 115.60 1sos s ARG 69 Ca 0.42 -0.69 -0.00 0.00 -2.50 0.00 0.00 55.73 52.96 1sos s ARG 69 Cb -0.24 -2.29 0.01 0.00 0.06 0.00 0.00 34.95 32.49 1sos s ARG 69 CO 0.96 -1.22 0.74 0.15 -2.50 0.00 0.00 175.30 173.42 1sos s LYS 70 N -5.11 2.87 0.29 5.12 1.02 -1.26 -4.80 119.74 117.87 1sos s LYS 70 Ca 0.62 -0.52 -0.29 0.00 0.02 0.00 0.00 55.97 55.80 1sos s LYS 70 Cb -0.08 -2.50 -0.10 0.00 -0.52 0.00 0.00 37.83 34.63 1sos s LYS 70 CO 0.43 -0.48 1.40 -1.58 -0.92 0.00 0.00 175.35 174.21 1sos s HIS 71 N -2.68 2.97 0.00 3.18 5.65 -0.62 -2.85 115.29 120.93 1sos s HIS 71 Ca 0.52 1.18 0.00 0.00 0.25 0.00 0.00 55.06 57.01 1sos s HIS 71 Cb -0.10 -3.80 0.00 0.00 -1.18 0.00 0.00 32.58 27.50 1sos s HIS 71 CO 0.39 -2.44 0.00 0.41 -0.65 0.00 0.00 174.74 172.45 1sos n GLY 72 N 1.48 4.55 3.80 1.59 0.00 -1.23 -4.37 105.19 111.01 1sos n GLY 72 Ca 0.04 -1.18 -0.22 0.00 0.00 0.00 0.00 46.02 44.65 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 1.45 0.57 -0.02 0.00 -1.21 -4.64 107.32 103.48 1sos s GLY 73 Ca 0.00 -1.44 0.28 0.00 0.00 0.00 0.00 44.72 43.57 1sos s GLY 73 CO 0.00 -1.48 1.94 -0.56 0.00 0.00 0.00 173.10 173.00 1sos h PRO 74 N 1.59 0.00 -0.16 2.90 0.13 -1.85 0.24 132.00 134.85 1sos h PRO 74 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.61 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.01 1sos n LYS 75 N -3.92 1.97 -3.41 0.86 5.02 -1.26 -4.90 118.16 112.52 1sos n LYS 75 Ca 0.09 -1.44 -0.31 0.00 -2.02 0.00 0.00 58.31 54.63 1sos n LYS 75 Cb 0.66 -1.45 -0.05 0.00 -0.02 0.00 0.00 35.03 34.17 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 -1.72 6.57 0.03 4.39 1.01 0.84 -4.97 116.67 122.83 1sos s ASP 76 Ca 0.34 0.85 -0.17 0.00 0.71 0.00 0.00 52.55 54.28 1sos s ASP 76 Cb 0.20 -2.20 -0.26 0.00 1.01 0.00 0.00 42.92 41.67 1sos s ASP 76 CO 0.30 -0.10 1.10 -0.33 0.21 0.00 0.00 175.17 176.35 1sos h GLU 77 N 2.33 0.55 -5.11 8.23 5.08 -1.90 -3.37 114.58 120.39 1sos h GLU 77 Ca -0.47 -0.66 -0.69 0.00 -1.00 0.00 0.00 59.36 56.54 1sos h GLU 77 Cb 1.17 0.20 -0.16 0.00 0.50 0.00 0.00 28.75 30.46 1sos h GLU 77 CO 0.69 1.27 1.07 -2.00 -1.00 0.00 0.00 179.01 179.03 1sos s GLU 78 N -3.08 3.72 0.24 2.33 2.56 -1.26 -4.83 118.70 118.37 1sos s GLU 78 Ca -0.11 -1.88 -0.07 0.00 0.00 0.00 0.00 54.97 52.91 1sos s GLU 78 Cb 0.05 -5.02 -0.02 0.00 2.00 0.00 0.00 34.13 31.14 1sos s GLU 78 CO 0.89 -1.83 0.33 -0.98 -0.56 0.00 0.00 175.26 173.10 1sos s ARG 79 N 2.74 1.45 0.21 4.30 1.04 -1.16 -3.46 118.95 124.06 1sos s ARG 79 Ca 0.37 -1.47 0.01 0.00 -1.04 0.00 0.00 55.73 53.60 1sos s ARG 79 Cb -0.04 0.38 -0.04 0.00 -2.04 0.00 0.00 34.95 33.22 1sos s ARG 79 CO -0.07 -0.56 0.38 -1.01 -0.04 0.00 0.00 175.30 174.00 1sos s HIS 80 N -3.96 3.48 0.36 5.89 3.76 -1.13 -4.50 115.29 119.19 1sos s HIS 80 Ca 0.30 0.23 0.04 0.00 -0.15 0.00 0.00 55.06 55.49 1sos s HIS 80 Cb 0.03 -1.77 0.69 0.00 1.11 0.00 0.00 32.58 32.64 1sos s HIS 80 CO 0.12 0.39 1.97 0.28 -0.85 0.00 0.00 174.74 176.66 1sos h VAL 81 N 1.42 1.16 -0.15 -0.90 2.07 -1.89 -1.31 116.25 116.64 1sos h VAL 81 Ca -0.49 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1sos h VAL 81 Cb 1.20 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1sos h VAL 81 CO 0.66 0.18 0.00 0.61 0.02 0.00 0.00 177.57 179.05 1sos n GLY 82 N -1.24 0.42 3.48 2.17 0.00 -0.75 -4.39 105.19 104.87 1sos n GLY 82 Ca 0.04 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.74 6.31 0.00 1.61 1.01 -0.50 -1.84 116.67 122.52 1sos s ASP 83 Ca 0.11 -1.20 0.22 0.00 0.71 0.00 0.00 52.55 52.39 1sos s ASP 83 Cb 0.07 -2.45 0.52 0.00 1.01 0.00 0.00 42.92 42.07 1sos s ASP 83 CO 0.06 -1.42 1.45 0.18 0.21 0.00 0.00 175.17 175.66 1sos n LEU 84 N 7.78 3.43 0.00 1.23 4.77 -1.16 -3.71 117.00 129.34 1sos n LEU 84 Ca 0.07 -1.57 0.00 0.00 -0.03 0.00 0.00 56.01 54.48 1sos n LEU 84 Cb 0.47 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1sos n LEU 84 CO 0.62 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 178.08 1sos n GLY 85 N 1.52 0.54 3.70 -0.72 0.00 -1.20 -4.74 105.19 104.29 1sos n GLY 85 Ca 0.21 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 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 4.95 0.06 1.61 0.01 -1.26 -0.56 114.94 115.75 1sos s ASN 86 Ca 0.00 -0.38 0.06 0.00 -0.71 0.00 0.00 52.86 51.83 1sos s ASN 86 Cb 0.00 -1.10 -0.03 0.00 0.41 0.00 0.00 41.25 40.53 1sos s ASN 86 CO 0.00 0.05 -0.16 0.68 -1.51 0.00 0.00 177.10 176.17 1sos s VAL 87 N -1.89 1.25 -0.14 1.60 -7.23 -0.72 -4.86 120.40 108.41 1sos s VAL 87 Ca 0.29 -1.18 -0.10 0.00 -1.81 0.00 0.00 61.98 59.18 1sos s VAL 87 Cb -0.09 -1.14 -0.05 0.00 0.56 0.00 0.00 36.38 35.66 1sos s VAL 87 CO 0.20 -0.05 0.20 -0.89 -0.31 0.00 0.00 175.10 174.25 1sos s THR 88 N -1.01 5.38 -0.19 5.32 2.01 -1.26 -1.84 115.64 124.04 1sos s THR 88 Ca 0.02 0.35 -0.07 0.00 0.31 0.00 0.00 61.69 62.30 1sos s THR 88 Cb -0.09 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1sos s THR 88 CO 0.02 0.51 0.05 0.00 -0.69 0.00 0.00 174.62 174.52 1sos s ALA 89 N -0.31 3.30 1.01 7.40 0.00 -0.60 -4.12 121.76 128.44 1sos s ALA 89 Ca 0.14 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 1sos s ALA 89 Cb -0.12 -1.91 0.01 0.00 0.00 0.00 0.00 23.12 21.09 1sos s ALA 89 CO 0.03 0.02 0.03 -0.40 0.00 0.00 0.00 175.76 175.45 1sos n ASP 90 N 3.87 -1.19 0.19 0.00 5.68 -0.33 -1.51 116.55 123.25 1sos n ASP 90 Ca -0.16 -0.45 0.05 0.00 -0.50 0.00 0.00 54.79 53.72 1sos n ASP 90 Cb 0.52 -0.03 0.35 0.00 -1.14 0.00 0.00 41.12 40.82 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 0.00 -0.12 0.11 6.56 -1.98 -0.13 116.57 121.02 1sos h LYS 91 Ca -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1sos h LYS 91 Cb 0.04 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 1sos h LYS 91 CO 0.01 0.39 0.00 -0.25 -2.06 0.00 0.00 179.45 177.54 1sos n ASP 92 N -3.66 0.77 -0.27 0.86 8.00 -1.26 -4.80 116.55 116.19 1sos n ASP 92 Ca -0.01 -1.80 -0.03 0.00 0.71 0.00 0.00 54.79 53.66 1sos n ASP 92 Cb 0.49 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.50 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 0.83 0.53 3.50 0.44 0.00 -0.06 -4.69 105.19 105.74 1sos n GLY 93 Ca 0.09 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.13 3.98 -0.44 1.61 1.01 -1.25 -1.35 120.40 121.84 1sos s VAL 94 Ca 0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 61.98 61.51 1sos s VAL 94 Cb 0.00 -2.77 0.05 0.00 0.00 0.00 0.00 36.38 33.66 1sos s VAL 94 CO 0.00 0.47 0.34 0.00 0.00 0.00 0.00 175.10 175.92 1sos s ALA 95 N 0.53 3.51 -0.89 5.51 0.00 0.91 -1.18 121.76 130.15 1sos s ALA 95 Ca -0.02 -1.92 -0.20 0.00 0.00 0.00 0.00 51.96 49.82 1sos s ALA 95 Cb -0.14 -2.96 0.11 0.00 0.00 0.00 0.00 23.12 20.12 1sos s ALA 95 CO 0.02 -1.59 1.15 -0.51 0.00 0.00 0.00 175.76 174.83 1sos s ASP 96 N 2.13 6.52 0.33 0.00 1.01 -1.26 -1.61 116.67 123.78 1sos s ASP 96 Ca 0.04 -1.73 -0.29 0.00 0.71 0.00 0.00 52.55 51.29 1sos s ASP 96 Cb -0.22 -2.43 -0.10 0.00 1.01 0.00 0.00 42.92 41.18 1sos s ASP 96 CO 0.08 -1.22 1.28 -0.69 0.21 0.00 0.00 175.17 174.84 1sos s VAL 97 N 3.35 2.80 -0.29 -1.27 1.01 -0.09 -4.87 120.40 121.04 1sos s VAL 97 Ca 0.33 0.80 0.03 0.00 0.00 0.00 0.00 61.98 63.14 1sos s VAL 97 Cb -0.06 -3.51 0.19 0.00 0.00 0.00 0.00 36.38 33.00 1sos s VAL 97 CO -0.06 0.19 0.57 -0.55 0.00 0.00 0.00 175.10 175.25 1sos s SER 98 N -0.55 -1.32 0.06 3.32 0.15 -1.24 -2.69 113.70 111.43 1sos s SER 98 Ca 0.49 0.34 0.03 0.00 0.70 0.00 0.00 55.95 57.52 1sos s SER 98 Cb -0.39 1.96 -0.03 0.00 -1.71 0.00 0.00 66.02 65.86 1sos s SER 98 CO 0.51 -0.29 -0.10 -0.63 1.20 0.00 0.00 173.24 173.93 1sos s ILE 99 N 2.80 0.81 -0.04 6.45 1.01 -0.66 -5.00 121.20 126.57 1sos s ILE 99 Ca 0.13 -1.26 0.00 0.00 0.00 0.00 0.00 60.65 59.52 1sos s ILE 99 Cb -0.12 -0.91 0.02 0.00 0.01 0.00 0.00 42.46 41.47 1sos s ILE 99 CO -0.25 -0.36 -0.02 -0.70 0.00 0.00 0.00 174.94 173.62 1sos s GLU 100 N -1.87 0.53 0.00 2.79 2.12 -1.26 -0.31 118.70 120.71 1sos s GLU 100 Ca -0.04 0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.30 1sos s GLU 100 Cb -0.09 -0.67 -0.00 0.00 0.26 0.00 0.00 34.13 33.63 1sos s GLU 100 CO 0.01 -0.13 -0.00 0.34 -0.54 0.00 0.00 175.26 174.93 1sos s ASP 101 N 1.10 0.02 0.00 -1.70 2.15 -0.28 -4.95 116.67 113.01 1sos s ASP 101 Ca -0.09 -0.03 0.07 0.00 0.43 0.00 0.00 52.55 52.93 1sos s ASP 101 Cb -0.14 0.01 0.20 0.00 -0.30 0.00 0.00 42.92 42.69 1sos s ASP 101 CO -0.01 -0.02 1.15 -1.20 -0.17 0.00 0.00 175.17 174.92 1sos n SER 102 N 2.99 2.57 -0.10 -0.34 7.64 -1.26 -0.80 113.62 124.31 1sos n SER 102 Ca -0.13 -1.96 -0.24 0.00 1.01 0.00 0.00 58.87 57.55 1sos n SER 102 Cb 0.60 -0.15 -0.12 0.00 -1.01 0.00 0.00 64.21 63.53 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 0.19 1.57 -1.17 0.44 0.31 -1.26 -4.88 118.33 113.53 1sos n VAL 103 Ca 0.08 -0.37 -0.31 0.00 -0.01 0.00 0.00 64.34 63.73 1sos n VAL 103 Cb 0.36 -1.81 0.10 0.00 -0.91 0.00 0.00 33.84 31.58 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 -2.48 3.12 0.19 2.52 -4.36 -1.26 -4.90 121.20 114.04 1sos s ILE 104 Ca -0.32 0.37 -0.12 0.00 -0.26 0.00 0.00 60.65 60.31 1sos s ILE 104 Cb 0.10 -2.78 0.00 0.00 1.25 0.00 0.00 42.46 41.03 1sos s ILE 104 CO 0.59 -0.48 0.40 -0.55 0.24 0.00 0.00 174.94 175.14 1sos s SER 105 N -3.29 -0.08 0.00 4.36 0.15 -0.70 -4.71 113.70 109.44 1sos s SER 105 Ca 0.62 -0.77 0.23 0.00 0.70 0.00 0.00 55.95 56.73 1sos s SER 105 Cb -0.18 0.51 0.27 0.00 -1.71 0.00 0.00 66.02 64.91 1sos s SER 105 CO 0.56 -1.00 1.29 0.18 1.20 0.00 0.00 173.24 175.48 1sos n LEU 106 N -0.29 3.12 -4.10 3.45 4.77 -1.26 -1.12 117.00 121.57 1sos n LEU 106 Ca -0.07 -1.19 -0.11 0.00 -0.03 0.00 0.00 56.01 54.61 1sos n LEU 106 Cb 0.63 -0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 1sos n LEU 106 CO 0.22 0.59 -0.39 -0.94 -1.33 0.00 0.00 177.39 175.53 1sos s SER 107 N -1.75 0.91 0.00 -1.43 1.04 -1.26 -4.31 113.70 106.89 1sos s SER 107 Ca 0.31 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1sos s SER 107 Cb 0.20 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1sos s SER 107 CO 0.30 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.79 1sos n GLY 108 N 0.80 -0.80 0.23 7.32 0.00 -1.26 -3.92 105.19 107.56 1sos n GLY 108 Ca -0.18 -1.35 0.06 0.00 0.00 0.00 0.00 46.02 44.54 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 3.85 0.01 -0.74 1.61 3.32 -2.00 -2.64 116.42 119.83 1sos h ASP 109 Ca 0.00 -0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 1sos h ASP 109 Cb 0.00 -0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.38 1sos h ASP 109 CO 0.00 0.14 0.32 1.41 -1.72 0.00 0.00 179.24 179.38 1sos n HIS 110 N -4.38 2.40 -2.12 4.55 8.25 -1.26 -4.95 115.22 117.70 1sos n HIS 110 Ca -0.02 -1.38 -0.42 0.00 -0.26 0.00 0.00 57.72 55.64 1sos n HIS 110 Cb 0.20 -0.71 -0.03 0.00 1.12 0.00 0.00 29.99 30.57 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 -1.30 6.78 0.00 0.41 0.15 -1.00 -1.72 113.70 117.02 1sos s SER 111 Ca 0.54 2.41 0.20 0.00 0.70 0.00 0.00 55.95 59.80 1sos s SER 111 Cb 0.44 -2.59 0.65 0.00 -1.71 0.00 0.00 66.02 62.80 1sos s SER 111 CO 0.11 -0.67 1.49 2.30 1.20 0.00 0.00 173.24 177.68 1sos n ILE 112 N 3.68 0.29 -2.01 6.45 -5.35 -0.27 -4.91 119.36 117.23 1sos n ILE 112 Ca 0.11 -0.44 -0.42 0.00 -0.27 0.00 0.00 62.75 61.73 1sos n ILE 112 Cb 0.42 0.49 -0.03 0.00 -1.74 0.00 0.00 39.64 38.78 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 -1.71 2.82 0.00 7.28 -1.09 -1.26 -2.71 121.20 124.53 1sos s ILE 113 Ca 0.33 0.60 0.00 0.00 -2.23 0.00 0.00 60.65 59.35 1sos s ILE 113 Cb 0.18 -3.39 0.00 0.00 -1.58 0.00 0.00 42.46 37.68 1sos s ILE 113 CO 0.27 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 1sos n GLY 114 N 3.43 0.67 2.50 6.18 0.00 -0.27 -5.00 105.19 112.70 1sos n GLY 114 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.60 0.97 -4.58 1.61 1.74 -1.10 -2.05 116.66 110.64 1sos n ARG 115 Ca 0.00 -2.27 -0.33 0.00 -0.77 0.00 0.00 57.85 54.47 1sos n ARG 115 Cb 0.00 0.26 -0.14 0.00 -1.02 0.00 0.00 32.46 31.56 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 -1.82 3.19 0.06 0.55 2.01 -1.10 -0.91 115.64 117.62 1sos s THR 116 Ca 0.19 -0.60 -0.23 0.00 0.31 0.00 0.00 61.69 61.37 1sos s THR 116 Cb -0.02 -2.37 -0.06 0.00 0.01 0.00 0.00 72.50 70.07 1sos s THR 116 CO 0.12 0.51 0.68 -0.22 -0.69 0.00 0.00 174.62 175.02 1sos s LEU 117 N 0.53 4.48 -0.01 4.42 2.96 0.23 -0.55 118.68 130.75 1sos s LEU 117 Ca -0.07 1.37 0.05 0.00 -0.22 0.00 0.00 54.13 55.25 1sos s LEU 117 Cb -0.15 -3.09 -0.01 0.00 0.50 0.00 0.00 46.19 43.43 1sos s LEU 117 CO 0.04 0.12 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.34 1sos s VAL 118 N -0.49 1.24 -0.08 1.68 1.01 0.57 -1.88 120.40 122.45 1sos s VAL 118 Ca 0.34 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.69 1sos s VAL 118 Cb -0.20 -1.04 -0.00 0.00 0.00 0.00 0.00 36.38 35.14 1sos s VAL 118 CO 0.21 0.35 -0.22 0.54 0.00 0.00 0.00 175.10 175.98 1sos s VAL 119 N -0.34 1.91 0.27 2.92 0.11 -0.54 -1.54 120.40 123.18 1sos s VAL 119 Ca 0.05 -0.94 -0.00 0.00 -2.93 0.00 0.00 61.98 58.16 1sos s VAL 119 Cb -0.06 -1.65 -0.04 0.00 -1.53 0.00 0.00 36.38 33.10 1sos s VAL 119 CO -0.00 0.53 0.47 -1.00 -3.33 0.00 0.00 175.10 171.76 1sos s HIS 120 N 0.25 3.48 0.09 1.54 3.76 0.98 -0.79 115.29 124.61 1sos s HIS 120 Ca -0.14 0.34 -0.24 0.00 -0.15 0.00 0.00 55.06 54.86 1sos s HIS 120 Cb -0.16 -1.86 -0.14 0.00 1.11 0.00 0.00 32.58 31.53 1sos s HIS 120 CO 0.07 0.26 1.71 1.49 -0.85 0.00 0.00 174.74 177.42 1sos h GLU 121 N 1.38 -0.14 -5.36 1.40 4.81 -0.85 -3.38 114.58 112.44 1sos h GLU 121 Ca -0.49 0.01 -0.60 0.00 -0.13 0.00 0.00 59.36 58.15 1sos h GLU 121 Cb 1.21 0.03 -0.13 0.00 0.63 0.00 0.00 28.75 30.49 1sos h GLU 121 CO 0.64 -0.10 -0.57 0.15 -0.73 0.00 0.00 179.01 178.41 1sos s LYS 122 N -6.17 1.96 0.54 1.92 1.02 -0.68 -4.86 119.74 113.47 1sos s LYS 122 Ca -0.14 -2.16 -0.22 0.00 0.02 0.00 0.00 55.97 53.47 1sos s LYS 122 Cb 0.06 -1.31 -0.05 0.00 -0.52 0.00 0.00 37.83 36.01 1sos s LYS 122 CO 0.66 -0.22 1.38 0.00 -0.92 0.00 0.00 175.35 176.24 1sos s ALA 123 N -2.95 2.84 -0.06 5.17 0.00 -1.06 -0.74 121.76 124.96 1sos s ALA 123 Ca 0.26 1.37 -0.23 0.00 0.00 0.00 0.00 51.96 53.36 1sos s ALA 123 Cb 0.06 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 1sos s ALA 123 CO 0.13 -1.41 0.69 0.34 0.00 0.00 0.00 175.76 175.51 1sos s ASP 124 N -0.89 6.98 0.00 0.00 -1.08 -1.26 -3.92 116.67 116.49 1sos s ASP 124 Ca 0.71 1.18 0.27 0.00 -0.52 0.00 0.00 52.55 54.18 1sos s ASP 124 Cb -0.41 -2.41 1.32 0.00 -1.46 0.00 0.00 42.92 39.96 1sos s ASP 124 CO 0.49 -0.10 1.88 -0.90 0.52 0.00 0.00 175.17 177.06 1sos n ASP 125 N 3.73 0.71 -1.15 -0.34 5.68 0.18 -4.88 116.55 120.48 1sos n ASP 125 Ca -0.02 -1.34 -0.13 0.00 -0.50 0.00 0.00 54.79 52.81 1sos n ASP 125 Cb 0.51 -0.02 -0.04 0.00 -1.14 0.00 0.00 41.12 40.44 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 -0.40 -1.17 0.00 -2.12 4.77 -1.26 -2.11 117.00 114.71 1sos n LEU 126 Ca 0.19 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1sos n LEU 126 Cb 0.21 -1.97 0.00 0.00 -2.33 0.00 0.00 43.42 39.33 1sos n LEU 126 CO 0.15 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.35 1sos n GLY 127 N -1.27 0.79 1.72 -0.72 0.00 -1.25 -3.34 105.19 101.12 1sos n GLY 127 Ca -0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.26 4.25 0.00 1.61 5.02 -0.90 -4.47 118.16 121.42 1sos n LYS 128 Ca 0.00 -2.70 0.10 0.00 -2.02 0.00 0.00 58.31 53.68 1sos n LYS 128 Cb 0.00 -2.16 -0.03 0.00 -0.02 0.00 0.00 35.03 32.83 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 0.47 -0.16 1.78 0.72 0.00 -1.26 -5.00 105.19 101.73 1sos n GLY 129 Ca 0.25 -0.56 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 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 1.34 0.53 3.57 -0.02 0.00 -1.26 -4.96 105.19 104.39 1sos n GLY 130 Ca 0.07 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.13 -0.35 0.36 1.61 4.22 -1.26 -5.05 114.94 111.34 1sos s ASN 131 Ca 0.08 -0.13 0.04 0.00 -2.14 0.00 0.00 52.86 50.71 1sos s ASN 131 Cb -0.04 0.47 0.68 0.00 1.28 0.00 0.00 41.25 43.64 1sos s ASN 131 CO 0.15 -0.79 1.99 -0.08 -2.04 0.00 0.00 177.10 176.33 1sos h GLU 132 N 2.00 0.70 -0.84 3.55 4.81 -2.00 -1.29 114.58 121.51 1sos h GLU 132 Ca -0.25 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1sos h GLU 132 Cb 1.25 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 1sos h GLU 132 CO 0.30 0.51 0.56 1.49 -0.73 0.00 0.00 179.01 181.14 1sos h GLU 133 N 0.72 1.11 -0.89 1.92 4.57 -1.99 -2.69 114.58 117.32 1sos h GLU 133 Ca 0.19 -0.07 0.16 0.00 -1.18 0.00 0.00 59.36 58.45 1sos h GLU 133 Cb 0.00 -0.25 -0.10 0.00 -0.16 0.00 0.00 28.75 28.25 1sos h GLU 133 CO -0.03 0.73 0.48 1.03 -1.18 0.00 0.00 179.01 180.04 1sos h SER 134 N 1.14 0.59 0.27 1.04 0.87 -1.56 0.57 113.55 116.46 1sos h SER 134 Ca 0.31 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 1sos h SER 134 Cb -0.13 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1sos h SER 134 CO -0.07 0.24 -0.27 0.35 -0.53 0.00 0.00 176.83 176.55 1sos n THR 135 N -4.84 0.00 -0.09 2.23 -2.24 -1.03 -1.79 114.28 106.51 1sos n THR 135 Ca 0.18 -0.11 -0.11 0.00 -2.27 0.00 0.00 64.05 61.74 1sos n THR 135 Cb 0.46 0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 69.00 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 -0.75 0.53 -0.00 -0.78 5.02 -0.04 -1.58 118.16 120.57 1sos n LYS 136 Ca 0.12 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1sos n LYS 136 Cb 0.34 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 33.87 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 -4.45 0.00 -0.93 -0.18 -2.24 -0.01 -4.65 114.28 101.81 1sos n THR 137 Ca -0.19 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1sos n THR 137 Cb 0.54 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 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 2.18 0.45 2.43 3.38 0.00 -0.74 -3.84 105.19 109.06 1sos n GLY 138 Ca -0.00 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 45.10 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 1.32 -5.49 0.00 1.61 3.02 -1.25 -0.65 115.26 113.82 1sos n ASN 139 Ca 0.00 0.14 0.11 0.00 -0.03 0.00 0.00 54.58 54.79 1sos n ASN 139 Cb 0.00 -4.65 0.63 0.00 -0.61 0.00 0.00 39.78 35.14 1sos n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sos n ALA 140 N -1.20 2.48 -0.52 5.41 0.00 -1.25 -4.81 120.51 120.63 1sos n ALA 140 Ca -0.22 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1sos n ALA 140 Cb 0.67 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 0.63 -0.38 3.61 0.00 0.00 -1.26 -1.69 105.19 106.09 1sos n GLY 141 Ca 0.16 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 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 2.03 -0.45 1.61 0.01 -1.26 -4.60 113.70 107.05 1sos s SER 142 Ca 0.00 1.35 -0.11 0.00 1.31 0.00 0.00 55.95 58.50 1sos s SER 142 Cb 0.00 -2.06 0.09 0.00 0.21 0.00 0.00 66.02 64.26 1sos s SER 142 CO 0.00 -3.52 0.32 -0.13 0.41 0.00 0.00 173.24 170.32 1sos s ARG 143 N -4.77 2.69 0.07 12.44 0.52 -1.26 -0.65 118.95 127.99 1sos s ARG 143 Ca 0.66 -1.51 -0.17 0.00 -0.52 0.00 0.00 55.73 54.19 1sos s ARG 143 Cb -0.21 -3.92 -0.13 0.00 0.52 0.00 0.00 34.95 31.21 1sos s ARG 143 CO 0.60 -1.04 1.35 -0.07 0.02 0.00 0.00 175.30 176.16 1sos h LEU 144 N 8.53 0.60 -7.71 2.53 3.38 -1.27 -3.47 115.31 117.90 1sos h LEU 144 Ca -0.24 -0.51 -0.07 0.00 0.09 0.00 0.00 57.88 57.14 1sos h LEU 144 Cb 1.09 -0.17 -0.13 0.00 0.09 0.00 0.00 40.66 41.54 1sos h LEU 144 CO 0.83 1.00 -0.23 0.00 0.09 0.00 0.00 178.44 180.12 1sos s ALA 145 N -4.18 -0.47 0.16 1.53 0.00 -1.20 -4.00 121.76 113.61 1sos s ALA 145 Ca -0.13 -0.45 -0.24 0.00 0.00 0.00 0.00 51.96 51.15 1sos s ALA 145 Cb 0.07 0.64 0.06 0.00 0.00 0.00 0.00 23.12 23.89 1sos s ALA 145 CO 0.80 -0.60 0.70 0.00 0.00 0.00 0.00 175.76 176.67 1sos s GLY 147 N -2.76 -0.55 0.11 0.00 0.00 -0.79 -1.34 107.32 101.99 1sos s GLY 147 Ca 0.05 1.07 -0.23 0.00 0.00 0.00 0.00 44.72 45.60 1sos s GLY 147 CO -0.06 0.61 0.71 0.14 0.00 0.00 0.00 173.10 174.49 1sos s VAL 148 N -2.33 4.56 -0.11 1.40 1.01 -1.26 -0.60 120.40 123.07 1sos s VAL 148 Ca -0.04 1.54 -0.27 0.00 0.00 0.00 0.00 61.98 63.21 1sos s VAL 148 Cb -0.01 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 1sos s VAL 148 CO -0.01 0.50 0.89 -0.63 0.00 0.00 0.00 175.10 175.84 1sos s ILE 149 N -0.89 4.87 0.34 2.22 1.01 -0.09 -4.47 121.20 124.19 1sos s ILE 149 Ca 0.34 1.80 0.05 0.00 0.00 0.00 0.00 60.65 62.83 1sos s ILE 149 Cb -0.21 -4.21 -0.07 0.00 0.01 0.00 0.00 42.46 37.98 1sos s ILE 149 CO 0.23 0.07 0.04 -0.83 0.00 0.00 0.00 174.94 174.45 1sos s GLY 150 N 1.07 2.13 -0.01 6.18 0.00 0.32 -1.11 107.32 115.90 1sos s GLY 150 Ca 0.43 -2.09 -0.27 0.00 0.00 0.00 0.00 44.72 42.79 1sos s GLY 150 CO 0.17 -1.87 0.84 -0.42 0.00 0.00 0.00 173.10 171.82 1sos s ILE 151 N -3.17 4.89 0.29 0.90 1.01 -1.26 -1.89 121.20 121.98 1sos s ILE 151 Ca 0.36 1.77 0.01 0.00 0.00 0.00 0.00 60.65 62.79 1sos s ILE 151 Cb 0.09 -4.19 0.01 0.00 0.01 0.00 0.00 42.46 38.38 1sos s ILE 151 CO 0.16 0.23 0.08 0.00 0.00 0.00 0.00 174.94 175.41 1sos n ALA 152 N 3.63 0.32 -1.18 9.38 0.00 -0.50 -4.84 120.51 127.30 1sos n ALA 152 Ca 0.02 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.20 1sos n ALA 152 Cb 0.51 0.63 0.00 0.00 0.00 0.00 0.00 19.45 20.59 1sos n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50