#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 0.00 -4.91 0.00 -2.24 -1.26 -4.71 114.28 101.15 1sos n THR 2 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1sos n THR 2 Cb 0.00 -0.68 -0.13 0.00 -2.10 0.00 0.00 70.33 67.41 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 -1.75 2.34 0.31 -0.78 1.02 -1.26 -0.02 119.74 119.60 1sos s LYS 3 Ca 0.00 -0.80 0.05 0.00 0.02 0.00 0.00 55.97 55.24 1sos s LYS 3 Cb 0.00 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 35.00 1sos s LYS 3 CO 0.00 0.59 0.22 0.00 -0.92 0.00 0.00 175.35 175.25 1sos s ALA 4 N -0.75 1.82 0.06 5.17 0.00 -0.51 -2.01 121.76 125.52 1sos s ALA 4 Ca 0.12 -1.90 -0.26 0.00 0.00 0.00 0.00 51.96 49.91 1sos s ALA 4 Cb -0.10 1.37 0.08 0.00 0.00 0.00 0.00 23.12 24.47 1sos s ALA 4 CO 0.01 -0.61 0.70 0.54 0.00 0.00 0.00 175.76 176.41 1sos s VAL 5 N -3.59 0.00 -0.13 0.00 0.11 -0.51 -1.76 120.40 114.52 1sos s VAL 5 Ca 0.39 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.39 1sos s VAL 5 Cb 0.04 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.95 1sos s VAL 5 CO 0.22 0.00 0.27 0.00 -3.33 0.00 0.00 175.10 172.26 1sos s ALA 6 N -2.86 -0.58 -0.40 1.54 0.00 -0.65 -0.63 121.76 118.17 1sos s ALA 6 Ca -0.01 0.97 -0.19 0.00 0.00 0.00 0.00 51.96 52.72 1sos s ALA 6 Cb -0.01 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 22.12 1sos s ALA 6 CO -0.06 -0.62 0.55 0.08 0.00 0.00 0.00 175.76 175.72 1sos s VAL 7 N 2.36 4.95 -0.19 0.00 1.01 -1.26 -0.87 120.40 126.39 1sos s VAL 7 Ca 0.00 0.09 -0.24 0.00 0.00 0.00 0.00 61.98 61.84 1sos s VAL 7 Cb -0.12 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1sos s VAL 7 CO -0.09 -0.43 0.78 -0.76 0.00 0.00 0.00 175.10 174.61 1sos s LEU 8 N 2.52 4.15 0.11 3.92 1.02 0.12 -4.18 118.68 126.34 1sos s LEU 8 Ca 0.19 1.06 0.05 0.00 0.02 0.00 0.00 54.13 55.45 1sos s LEU 8 Cb -0.15 -3.14 -0.04 0.00 0.02 0.00 0.00 46.19 42.88 1sos s LEU 8 CO 0.16 -0.39 -0.11 -0.54 0.02 0.00 0.00 176.35 175.49 1sos s LYS 9 N 2.21 0.94 0.00 1.70 -0.14 -0.89 -1.52 119.74 122.04 1sos s LYS 9 Ca 0.35 -1.24 0.00 0.00 -1.36 0.00 0.00 55.97 53.72 1sos s LYS 9 Cb -0.16 -0.67 0.00 0.00 -1.68 0.00 0.00 37.83 35.32 1sos s LYS 9 CO 0.11 0.11 0.00 0.41 -0.76 0.00 0.00 175.35 175.22 1sos n GLY 10 N 0.41 4.47 0.04 -3.33 0.00 -1.20 -1.07 105.19 104.50 1sos n GLY 10 Ca -0.15 -0.97 0.13 0.00 0.00 0.00 0.00 46.02 45.04 1sos n GLY 10 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sos n ASP 11 N 0.00 0.34 0.00 1.61 -0.08 -1.13 -4.97 116.55 112.32 1sos n ASP 11 Ca 0.00 -0.12 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 1sos n ASP 11 Cb 0.00 -0.10 0.00 0.00 2.34 0.00 0.00 41.12 43.36 1sos n ASP 11 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sos n GLY 12 N 1.43 5.68 0.24 0.27 0.00 -1.26 -5.04 105.19 106.51 1sos n GLY 12 Ca 0.09 -0.93 0.15 0.00 0.00 0.00 0.00 46.02 45.33 1sos n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sos h PRO 13 N 0.00 0.00 -6.16 1.61 0.13 -1.93 -3.46 132.00 122.19 1sos h PRO 13 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 1sos h PRO 13 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1sos h PRO 13 CO 0.00 0.00 0.12 0.54 -0.23 0.00 0.00 178.00 178.43 1sos s VAL 14 N -3.51 4.90 0.05 1.56 0.11 -1.26 -4.52 120.40 117.73 1sos s VAL 14 Ca 0.03 1.53 -0.13 0.00 -2.93 0.00 0.00 61.98 60.48 1sos s VAL 14 Cb 0.08 -4.07 0.02 0.00 -1.53 0.00 0.00 36.38 30.88 1sos s VAL 14 CO 0.55 0.31 0.28 -1.10 -3.33 0.00 0.00 175.10 171.80 1sos s GLN 15 N 0.36 0.79 0.14 1.54 1.11 -1.12 -3.27 119.66 119.21 1sos s GLN 15 Ca 0.38 -0.56 -0.25 0.00 0.01 0.00 0.00 55.36 54.93 1sos s GLN 15 Cb -0.19 0.34 0.07 0.00 -1.01 0.00 0.00 33.01 32.22 1sos s GLN 15 CO 0.20 -0.25 0.96 0.20 0.01 0.00 0.00 175.29 176.42 1sos s GLY 16 N -2.13 -0.25 -0.15 3.09 0.00 -0.57 -1.36 107.32 105.95 1sos s GLY 16 Ca -0.04 0.20 0.02 0.00 0.00 0.00 0.00 44.72 44.90 1sos s GLY 16 CO -0.04 0.03 -0.21 -0.42 0.00 0.00 0.00 173.10 172.46 1sos s ILE 17 N -3.25 1.98 -0.11 0.90 1.01 -0.93 0.13 121.20 120.93 1sos s ILE 17 Ca 0.12 -0.92 -0.00 0.00 0.00 0.00 0.00 60.65 59.84 1sos s ILE 17 Cb -0.01 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 1sos s ILE 17 CO 0.01 0.53 -0.09 -0.63 0.00 0.00 0.00 174.94 174.76 1sos s ILE 18 N 0.96 3.44 0.05 2.92 -1.09 -0.05 -2.38 121.20 125.05 1sos s ILE 18 Ca -0.04 -0.54 0.03 0.00 -2.23 0.00 0.00 60.65 57.87 1sos s ILE 18 Cb -0.15 -2.44 -0.04 0.00 -1.58 0.00 0.00 42.46 38.25 1sos s ILE 18 CO -0.05 0.54 0.02 0.20 -1.23 0.00 0.00 174.94 174.43 1sos s ASN 19 N -0.06 5.22 -0.06 3.58 -0.87 0.52 -1.64 114.94 121.63 1sos s ASN 19 Ca -0.01 -0.06 0.05 0.00 -1.57 0.00 0.00 52.86 51.27 1sos s ASN 19 Cb -0.14 -1.34 -0.00 0.00 -0.02 0.00 0.00 41.25 39.75 1sos s ASN 19 CO 0.03 0.22 -0.21 -0.36 -2.57 0.00 0.00 177.10 174.21 1sos s PHE 20 N -1.24 2.14 -0.04 2.20 0.40 -0.72 -1.70 117.98 119.02 1sos s PHE 20 Ca 0.24 -0.70 -0.01 0.00 -0.60 0.00 0.00 56.93 55.86 1sos s PHE 20 Cb -0.12 -1.43 0.03 0.00 0.51 0.00 0.00 43.02 42.01 1sos s PHE 20 CO 0.16 -0.25 0.07 -2.00 0.70 0.00 0.00 175.22 173.91 1sos s GLU 21 N 0.08 0.03 -0.12 0.44 2.12 -0.09 -1.43 118.70 119.73 1sos s GLU 21 Ca -0.08 0.22 -0.01 0.00 0.36 0.00 0.00 54.97 55.47 1sos s GLU 21 Cb -0.14 -0.16 0.03 0.00 0.26 0.00 0.00 34.13 34.12 1sos s GLU 21 CO 0.04 -0.13 -0.07 -1.14 -0.54 0.00 0.00 175.26 173.43 1sos s GLN 22 N 0.87 1.43 0.13 4.30 0.74 0.97 -0.65 119.66 127.46 1sos s GLN 22 Ca -0.07 -0.25 0.23 0.00 0.05 0.00 0.00 55.36 55.32 1sos s GLN 22 Cb -0.10 -1.59 0.10 0.00 1.10 0.00 0.00 33.01 32.52 1sos s GLN 22 CO -0.03 -0.29 1.09 1.63 -0.55 0.00 0.00 175.29 177.14 1sos n LYS 23 N 4.95 0.44 -3.88 1.67 5.02 -1.24 -4.55 118.16 120.58 1sos n LYS 23 Ca -0.12 0.07 -0.11 0.00 -2.02 0.00 0.00 58.31 56.13 1sos n LYS 23 Cb 0.50 -1.72 -0.10 0.00 -0.02 0.00 0.00 35.03 33.68 1sos n LYS 23 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1sos s GLU 24 N -3.28 0.42 0.09 1.97 2.02 -1.26 -5.04 118.70 113.62 1sos s GLU 24 Ca 0.02 -0.33 -0.27 0.00 0.02 0.00 0.00 54.97 54.41 1sos s GLU 24 Cb 0.12 0.17 -0.14 0.00 0.10 0.00 0.00 34.13 34.38 1sos s GLU 24 CO 0.78 -0.09 1.68 0.66 0.02 0.00 0.00 175.26 178.31 1sos h SER 25 N 4.57 -0.38 -0.35 -0.19 4.64 -1.96 0.42 113.55 120.31 1sos h SER 25 Ca -0.30 0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 60.89 1sos h SER 25 Cb 1.20 0.12 -0.09 0.00 -0.31 0.00 0.00 62.40 63.31 1sos h SER 25 CO 0.41 -0.24 0.20 -0.46 -0.87 0.00 0.00 176.83 175.87 1sos n ASN 26 N -5.27 3.19 -4.93 4.97 6.94 -1.26 -4.86 115.26 114.04 1sos n ASN 26 Ca -0.09 -2.57 -0.20 0.00 -0.02 0.00 0.00 54.58 51.70 1sos n ASN 26 Cb 0.19 -0.62 -0.01 0.00 -2.36 0.00 0.00 39.78 36.98 1sos n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1sos s GLY 27 N 0.01 2.07 0.54 4.83 0.00 0.14 -5.10 107.32 109.81 1sos s GLY 27 Ca 0.22 -1.80 -0.21 0.00 0.00 0.00 0.00 44.72 42.94 1sos s GLY 27 CO 0.05 -1.67 1.22 -4.14 0.00 0.00 0.00 173.10 168.56 1sos s PRO 28 N -4.27 3.24 -0.14 2.90 0.02 -1.26 -4.81 135.00 130.68 1sos s PRO 28 Ca 0.50 1.88 0.02 0.00 0.02 0.00 0.00 61.00 63.42 1sos s PRO 28 Cb -0.05 -2.13 0.01 0.00 0.02 0.00 0.00 34.50 32.35 1sos s PRO 28 CO 0.30 -1.00 -0.20 0.54 -0.33 0.00 0.00 177.00 176.30 1sos s VAL 29 N -1.53 2.22 0.07 3.83 0.11 -0.49 -3.60 120.40 121.01 1sos s VAL 29 Ca 0.72 -0.93 -0.30 0.00 -2.93 0.00 0.00 61.98 58.55 1sos s VAL 29 Cb -0.32 -1.90 -0.05 0.00 -1.53 0.00 0.00 36.38 32.59 1sos s VAL 29 CO 0.36 0.54 0.95 -0.54 -3.33 0.00 0.00 175.10 173.08 1sos s LYS 30 N 0.79 4.64 -0.11 1.54 3.01 0.18 -0.27 119.74 129.51 1sos s LYS 30 Ca -0.07 1.41 0.00 0.00 -1.01 0.00 0.00 55.97 56.30 1sos s LYS 30 Cb -0.16 -3.40 0.02 0.00 -1.01 0.00 0.00 37.83 33.28 1sos s LYS 30 CO -0.01 0.13 -0.10 0.54 0.51 0.00 0.00 175.35 176.43 1sos s VAL 31 N 0.32 1.18 0.04 3.17 0.11 0.49 -0.91 120.40 124.80 1sos s VAL 31 Ca 0.48 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 1sos s VAL 31 Cb -0.22 -1.15 -0.03 0.00 -1.53 0.00 0.00 36.38 33.45 1sos s VAL 31 CO 0.29 0.39 -0.04 -1.66 -3.33 0.00 0.00 175.10 170.75 1sos s TRP 32 N 1.49 0.44 -2.85 1.54 -2.14 -0.69 -0.12 118.94 116.61 1sos s TRP 32 Ca 0.02 -0.69 0.00 0.00 2.66 0.00 0.00 56.10 58.09 1sos s TRP 32 Cb -0.13 -0.30 0.00 0.00 -3.10 0.00 0.00 33.47 29.94 1sos s TRP 32 CO -0.07 -0.22 0.00 0.41 -2.66 0.00 0.00 176.95 174.41 1sos n GLY 33 N 1.07 -1.49 2.92 3.67 0.00 -0.93 -0.36 105.19 110.06 1sos n GLY 33 Ca -0.20 -1.08 -0.19 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.18 0.88 -0.04 1.61 0.15 -1.00 -1.06 113.70 111.06 1sos s SER 34 Ca 0.00 -0.12 0.04 0.00 0.70 0.00 0.00 55.95 56.57 1sos s SER 34 Cb 0.00 -0.35 -0.00 0.00 -1.71 0.00 0.00 66.02 63.95 1sos s SER 34 CO 0.00 -0.02 -0.17 -0.63 1.20 0.00 0.00 173.24 173.62 1sos s ILE 35 N 0.62 1.41 0.26 6.45 1.01 -0.84 -2.20 121.20 127.91 1sos s ILE 35 Ca -0.08 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1sos s ILE 35 Cb -0.12 -1.21 -0.05 0.00 0.01 0.00 0.00 42.46 41.09 1sos s ILE 35 CO 0.00 0.41 0.07 -1.59 0.00 0.00 0.00 174.94 173.83 1sos s LYS 36 N -0.01 1.41 0.00 2.79 0.00 -0.46 -0.67 119.74 122.80 1sos s LYS 36 Ca -0.03 -1.76 0.00 0.00 0.00 0.00 0.00 55.97 54.19 1sos s LYS 36 Cb -0.11 -0.40 0.00 0.00 0.00 0.00 0.00 37.83 37.33 1sos s LYS 36 CO 0.02 -0.24 0.00 0.41 0.00 0.00 0.00 175.35 175.54 1sos n GLY 37 N -0.47 0.85 3.88 0.59 0.00 -0.74 -2.79 105.19 106.51 1sos n GLY 37 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 3.08 0.31 0.99 2.01 -0.46 -4.55 118.68 120.06 1sos s LEU 38 Ca 0.00 1.21 -0.21 0.00 0.01 0.00 0.00 54.13 55.14 1sos s LEU 38 Cb 0.00 -4.11 -0.09 0.00 0.01 0.00 0.00 46.19 41.99 1sos s LEU 38 CO 0.00 -1.10 0.84 0.42 1.01 0.00 0.00 176.35 177.51 1sos s THR 39 N -3.24 4.44 0.39 5.49 -4.23 -1.26 -3.74 115.64 113.48 1sos s THR 39 Ca 0.56 1.45 -0.23 0.00 -1.18 0.00 0.00 61.69 62.29 1sos s THR 39 Cb -0.11 -3.82 -0.14 0.00 1.34 0.00 0.00 72.50 69.77 1sos s THR 39 CO 0.52 0.03 0.49 1.21 -0.54 0.00 0.00 174.62 176.32 1sos n GLU 40 N 0.25 0.46 0.00 3.99 2.13 -1.26 -4.52 120.64 121.70 1sos n GLU 40 Ca 0.02 0.17 0.00 0.00 0.66 0.00 0.00 57.16 58.00 1sos n GLU 40 Cb 0.52 -1.39 0.00 0.00 0.27 0.00 0.00 31.44 30.84 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 -3.34 3.76 8.31 0.00 -0.69 -4.86 105.19 110.24 1sos n GLY 41 Ca 0.12 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 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 4.36 -0.04 0.99 1.02 -1.26 -1.42 118.68 122.32 1sos s LEU 42 Ca 0.00 2.88 -0.00 0.00 0.02 0.00 0.00 54.13 57.03 1sos s LEU 42 Cb 0.00 -3.64 0.03 0.00 0.02 0.00 0.00 46.19 42.59 1sos s LEU 42 CO 0.00 -0.81 0.00 -1.00 0.02 0.00 0.00 176.35 174.56 1sos s HIS 43 N -0.43 0.44 0.32 0.29 3.76 0.31 -3.69 115.29 116.29 1sos s HIS 43 Ca 0.58 -0.04 -0.29 0.00 -0.15 0.00 0.00 55.06 55.16 1sos s HIS 43 Cb -0.45 -0.56 -0.11 0.00 1.11 0.00 0.00 32.58 32.56 1sos s HIS 43 CO 0.52 -0.20 1.57 0.41 -0.85 0.00 0.00 174.74 176.19 1sos n GLY 44 N 4.55 1.33 2.97 -2.22 0.00 0.01 -1.12 105.19 110.71 1sos n GLY 44 Ca -0.18 0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.37 2.69 0.08 1.61 5.36 0.62 -1.01 117.98 126.95 1sos s PHE 45 Ca 0.60 -2.00 0.01 0.00 -0.96 0.00 0.00 56.93 54.59 1sos s PHE 45 Cb -0.48 -1.78 -0.04 0.00 -0.34 0.00 0.00 43.02 40.38 1sos s PHE 45 CO 0.54 -0.82 -0.06 -1.01 -1.46 0.00 0.00 175.22 172.41 1sos s HIS 46 N 1.29 0.76 -0.20 10.12 3.76 -0.78 -2.82 115.29 127.44 1sos s HIS 46 Ca -0.05 -0.85 -0.12 0.00 -0.15 0.00 0.00 55.06 53.90 1sos s HIS 46 Cb -0.19 -0.46 -0.05 0.00 1.11 0.00 0.00 32.58 32.99 1sos s HIS 46 CO -0.07 -0.18 0.20 0.08 -0.85 0.00 0.00 174.74 173.93 1sos s VAL 47 N -3.19 5.36 0.25 -0.90 1.01 -0.12 -1.01 120.40 121.79 1sos s VAL 47 Ca 0.06 0.33 0.09 0.00 0.00 0.00 0.00 61.98 62.46 1sos s VAL 47 Cb 0.02 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1sos s VAL 47 CO -0.05 0.39 0.04 -1.00 0.00 0.00 0.00 175.10 174.49 1sos s HIS 48 N 0.60 2.80 0.29 5.22 3.76 0.35 0.05 115.29 128.36 1sos s HIS 48 Ca 0.11 -0.19 -0.00 0.00 -0.15 0.00 0.00 55.06 54.83 1sos s HIS 48 Cb -0.12 -1.26 0.42 0.00 1.11 0.00 0.00 32.58 32.73 1sos s HIS 48 CO 0.02 0.59 1.82 1.49 -0.85 0.00 0.00 174.74 177.80 1sos h GLU 49 N 1.90 0.76 -6.43 1.40 4.81 -0.30 -2.67 114.58 114.05 1sos h GLU 49 Ca -0.45 -0.17 -0.69 0.00 -0.13 0.00 0.00 59.36 57.91 1sos h GLU 49 Cb 1.24 -0.11 -0.25 0.00 0.63 0.00 0.00 28.75 30.26 1sos h GLU 49 CO 0.60 0.72 -0.81 -0.06 -0.73 0.00 0.00 179.01 178.73 1sos s PHE 50 N -5.10 2.58 -0.22 0.92 0.08 -0.04 -4.78 117.98 111.42 1sos s PHE 50 Ca -0.09 -0.25 -0.03 0.00 0.12 0.00 0.00 56.93 56.68 1sos s PHE 50 Cb 0.15 -1.58 0.02 0.00 -0.57 0.00 0.00 43.02 41.04 1sos s PHE 50 CO 0.80 0.12 2.58 0.41 -0.10 0.00 0.00 175.22 179.03 1sos n GLY 51 N 2.31 3.59 3.48 4.36 0.00 -0.96 -3.52 105.19 114.45 1sos n GLY 51 Ca -0.17 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 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 1.01 5.94 -0.16 1.61 -1.08 -1.26 -4.92 116.67 117.81 1sos s ASP 52 Ca 0.40 -0.60 0.17 0.00 -0.52 0.00 0.00 52.55 52.00 1sos s ASP 52 Cb 0.25 -2.11 0.42 0.00 -1.46 0.00 0.00 42.92 40.02 1sos s ASP 52 CO -0.06 -0.29 1.29 0.59 0.52 0.00 0.00 175.17 177.22 1sos n ASN 53 N 5.08 3.02 -0.27 -0.34 5.03 -1.26 -2.85 115.26 123.67 1sos n ASN 53 Ca -0.12 -3.13 0.05 0.00 0.87 0.00 0.00 54.58 52.24 1sos n ASN 53 Cb 0.49 -0.50 0.14 0.00 -1.02 0.00 0.00 39.78 38.89 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 0.90 0.28 -1.73 3.41 1.35 -1.93 -2.84 112.91 112.36 1sos h THR 54 Ca 0.01 -0.02 -0.66 0.00 -0.55 0.00 0.00 66.41 65.19 1sos h THR 54 Cb 1.24 0.22 -0.36 0.00 -1.73 0.00 0.00 68.15 67.52 1sos h THR 54 CO 0.12 0.01 -0.02 0.00 -0.25 0.00 0.00 175.52 175.39 1sos n ALA 55 N -3.07 5.64 -0.81 6.62 0.00 -1.26 -5.05 120.51 122.58 1sos n ALA 55 Ca 0.13 -4.26 0.00 0.00 0.00 0.00 0.00 53.44 49.31 1sos n ALA 55 Cb 0.46 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.49 2.15 0.10 0.00 0.00 -1.07 -2.40 105.19 103.47 1sos n GLY 56 Ca 0.45 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 1.14 0.00 0.00 2.02 -1.82 -2.13 112.91 112.11 1sos h THR 58 Ca 0.00 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1sos h THR 58 Cb 0.72 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1sos h THR 58 CO 0.00 0.16 0.00 -1.54 0.37 0.00 0.00 175.52 174.51 1sos n SER 59 N -4.65 0.00 0.08 4.18 3.41 -1.23 -3.23 113.62 112.17 1sos n SER 59 Ca 0.06 -0.12 0.10 0.00 -0.26 0.00 0.00 58.87 58.65 1sos n SER 59 Cb 0.04 -0.21 0.42 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.21 1.64 -0.23 7.33 0.00 -0.80 -4.55 120.51 122.69 1sos n ALA 60 Ca 0.09 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1sos n ALA 60 Cb 0.11 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.05 -0.83 3.96 0.00 0.00 -1.20 -0.86 105.19 106.22 1sos n GLY 61 Ca 0.03 -1.18 -0.27 0.00 0.00 0.00 0.00 46.02 44.60 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 0.88 0.71 1.61 0.04 -1.26 -4.62 135.00 132.36 1sos s PRO 62 Ca 0.00 -0.82 -0.16 0.00 0.04 0.00 0.00 61.00 60.06 1sos s PRO 62 Cb 0.00 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 1sos s PRO 62 CO 0.00 -2.14 0.81 0.72 0.04 0.00 0.00 177.00 176.44 1sos n HIS 63 N -3.44 0.17 -2.61 0.56 8.25 -1.26 -0.04 115.22 116.85 1sos n HIS 63 Ca 0.17 0.39 -0.43 0.00 -0.26 0.00 0.00 57.72 57.59 1sos n HIS 63 Cb 0.60 -2.03 -0.02 0.00 1.12 0.00 0.00 29.99 29.65 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 -1.82 3.36 -0.44 4.41 5.36 0.11 -4.26 117.98 124.70 1sos s PHE 64 Ca 0.71 1.44 0.07 0.00 -0.96 0.00 0.00 56.93 58.19 1sos s PHE 64 Cb -0.36 -3.28 0.25 0.00 -0.34 0.00 0.00 43.02 39.29 1sos s PHE 64 CO 0.52 -0.65 0.74 -1.71 -1.46 0.00 0.00 175.22 172.67 1sos n ASN 65 N 5.38 -1.43 -0.13 6.13 5.15 -1.26 -0.29 115.26 128.81 1sos n ASN 65 Ca 0.10 -3.06 0.04 0.00 -0.60 0.00 0.00 54.58 51.07 1sos n ASN 65 Cb 0.47 0.70 0.36 0.00 -0.53 0.00 0.00 39.78 40.78 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 3.91 0.72 -0.00 1.20 0.13 -1.94 -2.91 132.00 133.11 1sos h PRO 66 Ca -0.04 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1sos h PRO 66 Cb 0.97 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1sos h PRO 66 CO 0.38 0.48 -0.01 1.28 -0.23 0.00 0.00 178.00 179.90 1sos n LEU 67 N -4.46 0.32 -3.58 1.56 4.77 -1.26 -4.90 117.00 109.45 1sos n LEU 67 Ca 0.07 -0.08 -0.25 0.00 -0.03 0.00 0.00 56.01 55.72 1sos n LEU 67 Cb 0.13 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.24 1sos n LEU 67 CO 0.35 0.05 -0.05 -1.20 -1.33 0.00 0.00 177.39 175.21 1sos n SER 68 N -0.79 -4.78 -4.90 -1.43 7.64 -1.10 -5.03 113.62 103.23 1sos n SER 68 Ca 0.22 -0.90 -0.24 0.00 1.01 0.00 0.00 58.87 58.96 1sos n SER 68 Cb 0.17 -3.98 -0.01 0.00 -1.01 0.00 0.00 64.21 59.38 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 -5.57 2.33 0.22 1.43 0.52 -1.26 -5.15 118.95 111.46 1sos s ARG 69 Ca 0.37 -1.85 0.02 0.00 -0.52 0.00 0.00 55.73 53.75 1sos s ARG 69 Cb -0.11 -2.22 -0.04 0.00 0.52 0.00 0.00 34.95 33.10 1sos s ARG 69 CO 0.82 -0.52 0.38 0.15 0.02 0.00 0.00 175.30 176.15 1sos s LYS 70 N -4.27 3.48 0.43 3.54 1.02 -1.26 -4.76 119.74 117.91 1sos s LYS 70 Ca 0.41 -0.51 -0.26 0.00 0.02 0.00 0.00 55.97 55.64 1sos s LYS 70 Cb -0.03 -2.86 -0.09 0.00 -0.52 0.00 0.00 37.83 34.34 1sos s LYS 70 CO 0.25 0.40 1.37 -1.58 -0.92 0.00 0.00 175.35 174.87 1sos s HIS 71 N -1.93 2.63 0.05 3.18 5.65 -0.92 -2.55 115.29 121.41 1sos s HIS 71 Ca 0.37 1.33 -0.02 0.00 0.25 0.00 0.00 55.06 56.99 1sos s HIS 71 Cb -0.10 -3.81 0.01 0.00 -1.18 0.00 0.00 32.58 27.50 1sos s HIS 71 CO 0.30 -2.54 0.10 0.41 -0.65 0.00 0.00 174.74 172.36 1sos n GLY 72 N 0.62 2.18 3.90 1.59 0.00 -1.25 -4.50 105.19 107.73 1sos n GLY 72 Ca 0.04 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.29 1.58 0.61 -0.02 0.00 -0.87 -4.69 107.32 102.64 1sos s GLY 73 Ca 0.03 -0.46 0.30 0.00 0.00 0.00 0.00 44.72 44.58 1sos s GLY 73 CO 0.02 -0.21 2.01 -0.56 0.00 0.00 0.00 173.10 174.36 1sos h PRO 74 N -0.14 0.00 -0.00 2.90 0.13 -1.86 -1.15 132.00 131.87 1sos h PRO 74 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1sos h PRO 74 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1sos h PRO 74 CO 0.62 0.00 -0.35 1.63 -0.23 0.00 0.00 178.00 179.67 1sos n LYS 75 N -3.51 0.34 -2.06 0.86 5.02 -1.26 -4.89 118.16 112.66 1sos n LYS 75 Ca 0.03 -0.18 -0.28 0.00 -2.02 0.00 0.00 58.31 55.86 1sos n LYS 75 Cb 0.43 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.01 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 -2.79 5.00 -0.07 4.39 1.01 -0.44 -4.99 116.67 118.80 1sos s ASP 76 Ca 0.17 0.77 -0.06 0.00 0.71 0.00 0.00 52.55 54.14 1sos s ASP 76 Cb 0.18 -1.47 -0.28 0.00 1.01 0.00 0.00 42.92 42.37 1sos s ASP 76 CO 0.61 -1.54 0.58 -0.08 0.21 0.00 0.00 175.17 174.94 1sos h GLU 77 N -0.69 0.29 -4.64 8.23 4.57 -1.90 -3.41 114.58 117.03 1sos h GLU 77 Ca -0.45 -0.50 -0.71 0.00 -1.18 0.00 0.00 59.36 56.52 1sos h GLU 77 Cb 1.29 0.19 -0.20 0.00 -0.16 0.00 0.00 28.75 29.87 1sos h GLU 77 CO 0.63 1.19 0.14 -2.00 -1.18 0.00 0.00 179.01 177.79 1sos s GLU 78 N -2.58 3.09 0.18 1.92 2.56 -1.26 -4.94 118.70 117.67 1sos s GLU 78 Ca -0.17 -1.41 -0.19 0.00 0.00 0.00 0.00 54.97 53.20 1sos s GLU 78 Cb 0.06 -4.31 0.04 0.00 2.00 0.00 0.00 34.13 31.93 1sos s GLU 78 CO 0.82 -1.54 0.54 -0.98 -0.56 0.00 0.00 175.26 173.55 1sos s ARG 79 N 2.54 1.34 0.42 4.30 1.04 -1.06 -3.77 118.95 123.76 1sos s ARG 79 Ca 0.12 -0.73 -0.10 0.00 -1.04 0.00 0.00 55.73 53.98 1sos s ARG 79 Cb -0.23 0.54 -0.06 0.00 -2.04 0.00 0.00 34.95 33.16 1sos s ARG 79 CO 0.05 -0.57 0.79 -1.01 -0.04 0.00 0.00 175.30 174.51 1sos s HIS 80 N -3.83 3.48 0.39 5.89 3.76 -1.20 -4.63 115.29 119.15 1sos s HIS 80 Ca 0.06 1.05 0.07 0.00 -0.15 0.00 0.00 55.06 56.09 1sos s HIS 80 Cb -0.01 -2.46 0.81 0.00 1.11 0.00 0.00 32.58 32.04 1sos s HIS 80 CO -0.06 -0.15 2.00 0.28 -0.85 0.00 0.00 174.74 175.95 1sos h VAL 81 N 0.97 1.04 0.00 -0.90 2.07 -1.84 -2.05 116.25 115.54 1sos h VAL 81 Ca -0.47 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1sos h VAL 81 Cb 1.19 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1sos h VAL 81 CO 0.63 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.95 1sos n GLY 82 N -1.47 -0.79 3.45 2.17 0.00 0.60 -4.46 105.19 104.70 1sos n GLY 82 Ca 0.08 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.89 6.29 -0.00 1.61 1.01 -0.77 -0.95 116.67 121.96 1sos s ASP 83 Ca 0.32 -1.26 0.22 0.00 0.71 0.00 0.00 52.55 52.55 1sos s ASP 83 Cb 0.15 -2.42 0.64 0.00 1.01 0.00 0.00 42.92 42.30 1sos s ASP 83 CO 0.25 -1.35 1.53 0.18 0.21 0.00 0.00 175.17 175.99 1sos n LEU 84 N 7.45 3.94 0.00 1.23 4.77 -1.13 -3.45 117.00 129.81 1sos n LEU 84 Ca 0.03 -2.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.01 1sos n LEU 84 Cb 0.46 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1sos n LEU 84 CO 0.61 0.98 0.00 0.61 -1.33 0.00 0.00 177.39 178.26 1sos n GLY 85 N 1.61 2.10 3.35 -0.72 0.00 -1.22 -4.77 105.19 105.54 1sos n GLY 85 Ca 0.24 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 2.85 0.09 1.61 0.01 -1.26 -0.28 114.94 113.96 1sos s ASN 86 Ca 0.00 -0.83 0.06 0.00 -0.71 0.00 0.00 52.86 51.38 1sos s ASN 86 Cb 0.00 -0.18 -0.03 0.00 0.41 0.00 0.00 41.25 41.45 1sos s ASN 86 CO 0.00 0.02 -0.17 0.68 -1.51 0.00 0.00 177.10 176.12 1sos s VAL 87 N -1.79 1.38 -0.24 1.60 -7.23 -0.28 -4.86 120.40 108.99 1sos s VAL 87 Ca 0.15 -1.46 -0.04 0.00 -1.81 0.00 0.00 61.98 58.83 1sos s VAL 87 Cb -0.07 -1.33 0.01 0.00 0.56 0.00 0.00 36.38 35.55 1sos s VAL 87 CO 0.07 -0.19 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.75 1sos s THR 88 N -1.35 3.29 0.06 5.32 2.01 -1.26 -0.53 115.64 123.19 1sos s THR 88 Ca 0.03 -0.71 -0.29 0.00 0.31 0.00 0.00 61.69 61.03 1sos s THR 88 Cb -0.09 -2.59 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 1sos s THR 88 CO 0.03 0.29 0.91 0.00 -0.69 0.00 0.00 174.62 175.16 1sos s ALA 89 N 1.43 3.25 1.00 7.40 0.00 -0.51 -4.10 121.76 130.24 1sos s ALA 89 Ca 0.03 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1sos s ALA 89 Cb -0.16 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1sos s ALA 89 CO -0.03 -0.06 0.00 -0.40 0.00 0.00 0.00 175.76 175.27 1sos n ASP 90 N 3.11 -0.46 0.09 0.00 5.68 -0.40 -1.71 116.55 122.85 1sos n ASP 90 Ca 0.02 -0.51 0.07 0.00 -0.50 0.00 0.00 54.79 53.88 1sos n ASP 90 Cb 0.50 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 40.84 1sos n ASP 90 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1sos n LYS 91 N -0.97 0.09 -0.04 0.11 2.85 -1.26 -0.72 118.16 118.22 1sos n LYS 91 Ca 0.00 0.51 0.10 0.00 -1.05 0.00 0.00 58.31 57.87 1sos n LYS 91 Cb 0.00 -1.75 0.11 0.00 -0.65 0.00 0.00 35.03 32.74 1sos n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1sos n ASP 92 N -1.94 2.82 -0.33 -5.58 8.00 -1.26 -4.88 116.55 113.38 1sos n ASP 92 Ca 0.00 -1.86 -0.03 0.00 0.71 0.00 0.00 54.79 53.61 1sos n ASP 92 Cb 0.08 -0.06 -0.00 0.00 -0.02 0.00 0.00 41.12 41.12 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 1.17 0.31 3.22 0.44 0.00 0.11 -4.60 105.19 105.83 1sos n GLY 93 Ca 0.13 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.20 2.75 -0.50 1.61 1.01 -1.26 -1.36 120.40 120.45 1sos s VAL 94 Ca 0.01 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 1sos s VAL 94 Cb -0.00 -2.21 0.12 0.00 0.00 0.00 0.00 36.38 34.29 1sos s VAL 94 CO 0.01 0.48 0.42 0.00 0.00 0.00 0.00 175.10 176.01 1sos s ALA 95 N 1.35 3.53 -0.92 5.51 0.00 0.15 -1.28 121.76 130.11 1sos s ALA 95 Ca 0.05 -2.49 -0.22 0.00 0.00 0.00 0.00 51.96 49.29 1sos s ALA 95 Cb -0.14 -3.06 0.07 0.00 0.00 0.00 0.00 23.12 20.00 1sos s ALA 95 CO -0.07 -1.94 1.29 -0.51 0.00 0.00 0.00 175.76 174.53 1sos s ASP 96 N 3.11 6.46 0.31 0.00 1.01 -1.26 -1.99 116.67 124.30 1sos s ASP 96 Ca 0.04 -1.43 -0.29 0.00 0.71 0.00 0.00 52.55 51.58 1sos s ASP 96 Cb -0.28 -2.51 -0.10 0.00 1.01 0.00 0.00 42.92 41.05 1sos s ASP 96 CO 0.02 -1.42 1.15 -0.69 0.21 0.00 0.00 175.17 174.43 1sos s VAL 97 N 4.36 3.30 -0.35 -1.27 1.01 -0.22 -4.89 120.40 122.33 1sos s VAL 97 Ca 0.39 1.28 0.04 0.00 0.00 0.00 0.00 61.98 63.68 1sos s VAL 97 Cb -0.04 -3.80 0.16 0.00 0.00 0.00 0.00 36.38 32.70 1sos s VAL 97 CO -0.05 0.28 0.46 -0.55 0.00 0.00 0.00 175.10 175.24 1sos s SER 98 N -0.85 0.17 0.21 3.32 0.15 -1.25 -2.20 113.70 113.25 1sos s SER 98 Ca 0.47 -0.95 0.11 0.00 0.70 0.00 0.00 55.95 56.27 1sos s SER 98 Cb -0.33 1.12 -0.04 0.00 -1.71 0.00 0.00 66.02 65.06 1sos s SER 98 CO 0.43 -0.27 -0.21 -0.63 1.20 0.00 0.00 173.24 173.76 1sos s ILE 99 N 1.93 2.22 -0.05 6.45 1.01 0.83 -4.99 121.20 128.60 1sos s ILE 99 Ca 0.14 -2.10 0.02 0.00 0.00 0.00 0.00 60.65 58.71 1sos s ILE 99 Cb -0.11 -2.09 0.02 0.00 0.01 0.00 0.00 42.46 40.28 1sos s ILE 99 CO -0.13 -0.25 -0.08 -0.70 0.00 0.00 0.00 174.94 173.78 1sos s GLU 100 N -2.93 1.17 -0.00 2.79 2.12 -1.26 -0.38 118.70 120.21 1sos s GLU 100 Ca 0.22 -0.24 0.01 0.00 0.36 0.00 0.00 54.97 55.32 1sos s GLU 100 Cb -0.06 -1.05 -0.00 0.00 0.26 0.00 0.00 34.13 33.27 1sos s GLU 100 CO 0.10 -0.02 -0.04 0.34 -0.54 0.00 0.00 175.26 175.10 1sos s ASP 101 N 0.74 0.50 -0.26 -1.70 2.15 0.62 -4.96 116.67 113.77 1sos s ASP 101 Ca -0.12 -0.08 0.12 0.00 0.43 0.00 0.00 52.55 52.90 1sos s ASP 101 Cb -0.14 -0.06 0.60 0.00 -0.30 0.00 0.00 42.92 43.02 1sos s ASP 101 CO 0.02 0.05 1.58 -1.54 -0.17 0.00 0.00 175.17 175.10 1sos n SER 102 N 3.01 3.89 0.00 -0.34 3.41 -1.26 -1.40 113.62 120.93 1sos n SER 102 Ca -0.13 -3.28 0.00 0.00 -0.26 0.00 0.00 58.87 55.20 1sos n SER 102 Cb 0.58 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 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 -0.54 0.00 -1.46 -3.33 0.31 -1.26 -4.87 118.33 107.18 1sos n VAL 103 Ca 0.32 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.32 1sos n VAL 103 Cb 1.11 -0.64 0.08 0.00 -0.91 0.00 0.00 33.84 33.49 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 -1.91 2.98 0.12 2.52 -4.36 -1.26 -5.01 121.20 114.27 1sos s ILE 104 Ca 0.00 0.41 -0.11 0.00 -0.26 0.00 0.00 60.65 60.69 1sos s ILE 104 Cb 0.00 -2.88 0.01 0.00 1.25 0.00 0.00 42.46 40.84 1sos s ILE 104 CO 0.00 -0.33 0.28 -0.55 0.24 0.00 0.00 174.94 174.58 1sos s SER 105 N -2.70 0.01 -0.01 4.36 0.15 -1.14 -4.78 113.70 109.59 1sos s SER 105 Ca 0.67 -0.64 0.18 0.00 0.70 0.00 0.00 55.95 56.86 1sos s SER 105 Cb -0.21 0.41 0.53 0.00 -1.71 0.00 0.00 66.02 65.03 1sos s SER 105 CO 0.48 -0.82 1.44 0.18 1.20 0.00 0.00 173.24 175.72 1sos n LEU 106 N -0.15 3.66 -4.06 3.45 4.77 -1.26 -1.06 117.00 122.35 1sos n LEU 106 Ca -0.13 -2.06 -0.09 0.00 -0.03 0.00 0.00 56.01 53.70 1sos n LEU 106 Cb 0.63 -0.41 -0.11 0.00 -2.33 0.00 0.00 43.42 41.21 1sos n LEU 106 CO 0.22 0.87 -0.37 -0.44 -1.33 0.00 0.00 177.39 176.34 1sos s SER 107 N -1.02 0.57 0.26 -1.43 0.01 -1.26 -1.61 113.70 109.23 1sos s SER 107 Ca 0.40 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.90 1sos s SER 107 Cb 0.22 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1sos s SER 107 CO 0.26 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1sos n GLY 108 N 0.82 -1.88 0.06 3.44 0.00 -1.26 -3.93 105.19 102.45 1sos n GLY 108 Ca -0.19 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.30 0.07 -0.76 1.61 8.00 -1.26 -2.59 116.55 120.32 1sos n ASP 109 Ca 0.00 -1.16 0.05 0.00 0.71 0.00 0.00 54.79 54.39 1sos n ASP 109 Cb 0.12 -0.03 0.21 0.00 -0.02 0.00 0.00 41.12 41.39 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 -0.42 0.67 -2.69 1.24 8.25 -1.25 -4.99 115.22 116.03 1sos n HIS 110 Ca 0.00 -1.21 -0.38 0.00 -0.26 0.00 0.00 57.72 55.87 1sos n HIS 110 Cb 0.02 -0.33 -0.06 0.00 1.12 0.00 0.00 29.99 30.74 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 -2.48 7.35 0.00 0.41 0.15 -1.07 -2.86 113.70 115.19 1sos s SER 111 Ca 0.40 1.97 0.19 0.00 0.70 0.00 0.00 55.95 59.21 1sos s SER 111 Cb 0.35 -2.60 0.32 0.00 -1.71 0.00 0.00 66.02 62.38 1sos s SER 111 CO 0.03 -0.07 1.25 2.30 1.20 0.00 0.00 173.24 177.96 1sos n ILE 112 N 0.87 0.44 -2.50 6.45 -5.35 -0.22 -4.93 119.36 114.12 1sos n ILE 112 Ca 0.01 -0.72 -0.42 0.00 -0.27 0.00 0.00 62.75 61.34 1sos n ILE 112 Cb 0.48 1.00 -0.03 0.00 -1.74 0.00 0.00 39.64 39.35 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 -1.33 4.29 0.00 7.28 1.01 -1.26 -2.12 121.20 129.07 1sos s ILE 113 Ca 0.30 1.64 0.00 0.00 0.00 0.00 0.00 60.65 62.59 1sos s ILE 113 Cb 0.18 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.60 1sos s ILE 113 CO 0.25 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.92 1sos n GLY 114 N 3.15 0.58 3.71 6.18 0.00 0.13 -5.00 105.19 113.94 1sos n GLY 114 Ca 0.08 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.64 2.15 -0.12 1.61 0.52 -0.90 -2.26 118.95 118.31 1sos s ARG 115 Ca 0.00 -2.37 -0.03 0.00 -0.52 0.00 0.00 55.73 52.81 1sos s ARG 115 Cb 0.00 -1.32 -0.03 0.00 0.52 0.00 0.00 34.95 34.12 1sos s ARG 115 CO 0.00 -0.40 -0.03 0.99 0.02 0.00 0.00 175.30 175.88 1sos s THR 116 N -2.95 4.02 -0.16 0.02 2.01 -1.01 -1.43 115.64 116.15 1sos s THR 116 Ca 0.08 -0.33 -0.13 0.00 0.31 0.00 0.00 61.69 61.62 1sos s THR 116 Cb 0.01 -2.73 -0.05 0.00 0.01 0.00 0.00 72.50 69.75 1sos s THR 116 CO 0.05 0.54 0.28 -0.22 -0.69 0.00 0.00 174.62 174.58 1sos s LEU 117 N -0.16 4.25 -0.05 4.42 2.96 -0.24 -0.50 118.68 129.36 1sos s LEU 117 Ca 0.04 0.50 0.05 0.00 -0.22 0.00 0.00 54.13 54.50 1sos s LEU 117 Cb -0.13 -2.36 -0.01 0.00 0.50 0.00 0.00 46.19 44.20 1sos s LEU 117 CO 0.02 0.12 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.28 1sos s VAL 118 N 0.37 1.69 -0.12 1.68 1.01 -0.18 -1.55 120.40 123.29 1sos s VAL 118 Ca 0.16 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 1sos s VAL 118 Cb -0.13 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1sos s VAL 118 CO 0.04 0.48 -0.10 0.54 0.00 0.00 0.00 175.10 176.05 1sos s VAL 119 N -0.05 3.32 0.24 2.92 0.11 -0.46 -1.86 120.40 124.63 1sos s VAL 119 Ca -0.04 -0.58 -0.04 0.00 -2.93 0.00 0.00 61.98 58.40 1sos s VAL 119 Cb -0.12 -2.40 -0.05 0.00 -1.53 0.00 0.00 36.38 32.28 1sos s VAL 119 CO 0.03 0.53 0.48 -1.00 -3.33 0.00 0.00 175.10 171.81 1sos s HIS 120 N 0.14 3.47 0.08 1.54 3.76 -0.18 -0.96 115.29 123.15 1sos s HIS 120 Ca -0.05 0.55 -0.21 0.00 -0.15 0.00 0.00 55.06 55.20 1sos s HIS 120 Cb -0.15 -2.02 -0.12 0.00 1.11 0.00 0.00 32.58 31.41 1sos s HIS 120 CO 0.04 0.27 1.60 1.49 -0.85 0.00 0.00 174.74 177.30 1sos h GLU 121 N 1.97 0.20 -6.28 1.40 4.81 -0.87 -3.36 114.58 112.46 1sos h GLU 121 Ca -0.47 -0.04 -0.53 0.00 -0.13 0.00 0.00 59.36 58.18 1sos h GLU 121 Cb 1.19 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1sos h GLU 121 CO 0.68 0.31 -0.21 0.15 -0.73 0.00 0.00 179.01 179.21 1sos s LYS 122 N -5.49 2.30 0.14 1.92 1.02 -0.13 -4.84 119.74 114.66 1sos s LYS 122 Ca -0.14 -1.82 -0.30 0.00 0.02 0.00 0.00 55.97 53.74 1sos s LYS 122 Cb 0.06 -2.37 -0.07 0.00 -0.52 0.00 0.00 37.83 34.93 1sos s LYS 122 CO 0.69 -0.71 1.05 0.00 -0.92 0.00 0.00 175.35 175.47 1sos s ALA 123 N -2.71 3.32 -0.09 5.17 0.00 -1.24 -0.81 121.76 125.40 1sos s ALA 123 Ca 0.48 0.72 -0.29 0.00 0.00 0.00 0.00 51.96 52.86 1sos s ALA 123 Cb -0.04 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 1sos s ALA 123 CO 0.30 -0.16 1.65 0.34 0.00 0.00 0.00 175.76 177.88 1sos s ASP 124 N 0.07 6.60 0.00 0.00 -1.08 -1.26 -4.14 116.67 116.86 1sos s ASP 124 Ca 0.49 2.10 0.08 0.00 -0.52 0.00 0.00 52.55 54.70 1sos s ASP 124 Cb -0.27 -2.53 0.47 0.00 -1.46 0.00 0.00 42.92 39.12 1sos s ASP 124 CO 0.32 -1.00 1.02 -0.90 0.52 0.00 0.00 175.17 175.13 1sos n ASP 125 N 7.45 0.00 -1.55 -0.34 5.68 0.93 -4.85 116.55 123.86 1sos n ASP 125 Ca 0.18 -1.06 -0.18 0.00 -0.50 0.00 0.00 54.79 53.23 1sos n ASP 125 Cb 0.43 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.35 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 -0.69 -1.44 0.00 -2.12 4.77 -1.26 -1.62 117.00 114.64 1sos n LEU 126 Ca 0.06 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1sos n LEU 126 Cb 0.03 -2.55 0.00 0.00 -2.33 0.00 0.00 43.42 38.57 1sos n LEU 126 CO 0.04 -0.74 0.00 0.61 -1.33 0.00 0.00 177.39 175.97 1sos n GLY 127 N -0.84 0.72 0.83 -0.72 0.00 -1.26 -2.05 105.19 101.87 1sos n GLY 127 Ca -0.19 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.53 2.94 0.05 1.61 5.02 -0.64 -4.59 118.16 120.02 1sos n LYS 128 Ca 0.00 -2.60 0.14 0.00 -2.02 0.00 0.00 58.31 53.82 1sos n LYS 128 Cb 0.00 -1.67 0.52 0.00 -0.02 0.00 0.00 35.03 33.86 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 -0.17 -1.59 2.75 0.72 0.00 -1.26 -4.94 105.19 100.70 1sos n GLY 129 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 1.41 0.43 3.62 -0.02 0.00 -1.26 -4.98 105.19 104.40 1sos n GLY 130 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1sos n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sos s ASN 131 N -2.24 4.03 0.28 1.61 6.03 -1.26 -5.03 114.94 118.37 1sos s ASN 131 Ca 0.00 -1.15 -0.02 0.00 -1.03 0.00 0.00 52.86 50.65 1sos s ASN 131 Cb 0.00 -0.45 0.40 0.00 -3.03 0.00 0.00 41.25 38.17 1sos s ASN 131 CO 0.00 -0.33 1.88 -0.08 -2.03 0.00 0.00 177.10 176.54 1sos h GLU 132 N 1.79 0.98 -0.03 3.55 4.81 -2.01 -1.63 114.58 122.03 1sos h GLU 132 Ca -0.43 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 58.68 1sos h GLU 132 Cb 1.25 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1sos h GLU 132 CO 0.72 0.76 0.03 0.93 -0.73 0.00 0.00 179.01 180.71 1sos h GLU 133 N 0.97 0.00 -0.73 1.92 4.39 -1.99 -2.45 114.58 116.68 1sos h GLU 133 Ca 0.24 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 1sos h GLU 133 Cb 0.10 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 1sos h GLU 133 CO -0.03 0.00 0.43 1.03 -1.16 0.00 0.00 179.01 179.28 1sos h SER 134 N 0.00 0.88 -0.07 1.42 0.87 -1.63 -0.17 113.55 114.85 1sos h SER 134 Ca 0.02 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1sos h SER 134 Cb 0.07 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1sos h SER 134 CO -0.00 0.68 0.00 0.35 -0.53 0.00 0.00 176.83 177.33 1sos n THR 135 N -4.38 0.09 -0.04 2.23 -2.24 -0.93 -2.06 114.28 106.95 1sos n THR 135 Ca 0.08 -0.17 -0.05 0.00 -2.27 0.00 0.00 64.05 61.63 1sos n THR 135 Cb 0.07 0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.32 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 -0.26 0.32 -0.00 -0.78 5.02 -0.33 -2.17 118.16 119.96 1sos n LYS 136 Ca 0.16 0.13 0.02 0.00 -2.02 0.00 0.00 58.31 56.60 1sos n LYS 136 Cb 0.20 -1.06 -0.02 0.00 -0.02 0.00 0.00 35.03 34.13 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 -4.07 0.00 -0.89 -0.18 -2.24 -0.23 -4.66 114.28 102.01 1sos n THR 137 Ca -0.08 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1sos n THR 137 Cb 0.32 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 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 1.13 0.48 3.89 3.38 0.00 -0.88 -3.56 105.19 109.64 1sos n GLY 138 Ca 0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 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 1.21 -4.99 0.00 1.61 4.13 -1.24 -0.05 115.26 115.93 1sos n ASN 139 Ca 0.00 -0.75 0.13 0.00 1.68 0.00 0.00 54.58 55.63 1sos n ASN 139 Cb 0.00 -3.97 0.73 0.00 -1.54 0.00 0.00 39.78 35.00 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 -4.71 2.41 -0.35 5.41 0.00 -1.23 -4.66 120.51 117.38 1sos n ALA 140 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1sos n ALA 140 Cb 0.53 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.69 -0.91 3.86 0.00 0.00 -1.26 -0.95 105.19 106.62 1sos n GLY 141 Ca 0.17 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 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 3.90 -0.35 1.61 1.04 -1.26 -4.69 113.70 109.94 1sos s SER 142 Ca 0.00 0.77 -0.17 0.00 0.48 0.00 0.00 55.95 57.04 1sos s SER 142 Cb 0.00 -1.23 -0.01 0.00 0.10 0.00 0.00 66.02 64.88 1sos s SER 142 CO 0.00 -2.29 0.43 -0.13 0.98 0.00 0.00 173.24 172.23 1sos s ARG 143 N -5.51 3.56 -0.14 4.02 0.52 -1.26 -0.56 118.95 119.57 1sos s ARG 143 Ca 0.64 -0.34 -0.14 0.00 -0.52 0.00 0.00 55.73 55.38 1sos s ARG 143 Cb -0.11 -3.82 -0.24 0.00 0.52 0.00 0.00 34.95 31.30 1sos s ARG 143 CO 0.51 -0.59 0.39 -0.07 0.02 0.00 0.00 175.30 175.55 1sos h LEU 144 N 8.91 0.28 -7.74 2.53 3.38 -1.38 -3.47 115.31 117.82 1sos h LEU 144 Ca -0.29 -0.79 -0.16 0.00 0.09 0.00 0.00 57.88 56.73 1sos h LEU 144 Cb 1.13 -0.09 -0.23 0.00 0.09 0.00 0.00 40.66 41.57 1sos h LEU 144 CO 0.73 1.67 -0.55 0.00 0.09 0.00 0.00 178.44 180.38 1sos s ALA 145 N -2.47 -0.25 0.24 1.53 0.00 -1.18 -2.84 121.76 116.79 1sos s ALA 145 Ca -0.23 -0.06 -0.11 0.00 0.00 0.00 0.00 51.96 51.56 1sos s ALA 145 Cb 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 1sos s ALA 145 CO 0.72 -0.15 0.44 0.00 0.00 0.00 0.00 175.76 176.76 1sos s GLY 147 N -3.03 -0.34 0.20 0.00 0.00 -0.60 -2.10 107.32 101.45 1sos s GLY 147 Ca 0.24 1.57 -0.19 0.00 0.00 0.00 0.00 44.72 46.34 1sos s GLY 147 CO 0.09 0.67 0.68 0.14 0.00 0.00 0.00 173.10 174.69 1sos s VAL 148 N -2.12 4.63 -0.25 1.40 1.01 -1.26 -1.08 120.40 122.72 1sos s VAL 148 Ca 0.03 1.21 -0.16 0.00 0.00 0.00 0.00 61.98 63.06 1sos s VAL 148 Cb -0.01 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1sos s VAL 148 CO -0.04 0.24 0.41 -0.63 0.00 0.00 0.00 175.10 175.09 1sos s ILE 149 N -1.48 5.15 0.29 2.22 1.01 -0.52 -4.28 121.20 123.60 1sos s ILE 149 Ca 0.41 0.68 0.09 0.00 0.00 0.00 0.00 60.65 61.83 1sos s ILE 149 Cb -0.17 -3.74 -0.06 0.00 0.01 0.00 0.00 42.46 38.51 1sos s ILE 149 CO 0.21 0.16 -0.12 -0.83 0.00 0.00 0.00 174.94 174.35 1sos s GLY 150 N 1.50 1.92 0.29 6.18 0.00 0.20 0.19 107.32 117.59 1sos s GLY 150 Ca 0.17 -1.93 -0.29 0.00 0.00 0.00 0.00 44.72 42.67 1sos s GLY 150 CO 0.09 -1.93 1.16 -0.42 0.00 0.00 0.00 173.10 172.01 1sos s ILE 151 N -2.74 3.28 0.47 0.90 1.01 -1.26 -1.42 121.20 121.43 1sos s ILE 151 Ca 0.30 1.27 0.04 0.00 0.00 0.00 0.00 60.65 62.27 1sos s ILE 151 Cb 0.01 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 1sos s ILE 151 CO 0.14 0.30 0.09 0.00 0.00 0.00 0.00 174.94 175.46 1sos s ALA 152 N -1.08 3.80 -2.58 9.38 0.00 -0.85 -4.82 121.76 125.61 1sos s ALA 152 Ca 0.46 -1.34 0.27 0.00 0.00 0.00 0.00 51.96 51.36 1sos s ALA 152 Cb -0.34 -0.11 0.91 0.00 0.00 0.00 0.00 23.12 23.58 1sos s ALA 152 CO 0.44 -0.13 1.67 0.94 0.00 0.00 0.00 175.76 178.68