#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fun n THR 2 N 0.00 0.71 -4.47 0.00 5.66 -1.26 -4.58 114.28 110.34 1fun n THR 2 Ca 0.00 -0.42 -0.21 0.00 -3.05 0.00 0.00 64.05 60.36 1fun n THR 2 Cb 0.00 -0.74 -0.14 0.00 -1.55 0.00 0.00 70.33 67.90 1fun n THR 2 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1fun s LYS 3 N -2.25 1.03 0.12 1.09 1.02 -1.26 0.33 119.74 119.81 1fun s LYS 3 Ca -0.06 -0.68 -0.06 0.00 0.02 0.00 0.00 55.97 55.19 1fun s LYS 3 Cb 0.03 -1.03 -0.02 0.00 -0.52 0.00 0.00 37.83 36.30 1fun s LYS 3 CO 0.41 0.26 0.17 0.00 -0.92 0.00 0.00 175.35 175.28 1fun s ALA 4 N -0.67 0.15 0.02 5.17 0.00 -0.73 -2.25 121.76 123.44 1fun s ALA 4 Ca 0.03 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 50.99 1fun s ALA 4 Cb -0.07 0.66 -0.01 0.00 0.00 0.00 0.00 23.12 23.70 1fun s ALA 4 CO 0.01 -0.54 0.10 0.54 0.00 0.00 0.00 175.76 175.87 1fun s VAL 5 N -3.94 0.11 -0.04 0.00 0.11 0.90 -1.79 120.40 115.74 1fun s VAL 5 Ca 0.13 -0.89 0.00 0.00 -2.93 0.00 0.00 61.98 58.30 1fun s VAL 5 Cb 0.05 -0.61 0.03 0.00 -1.53 0.00 0.00 36.38 34.31 1fun s VAL 5 CO -0.05 -0.49 -0.01 0.00 -3.33 0.00 0.00 175.10 171.22 1fun s ALA 6 N -1.92 0.48 -0.38 1.54 0.00 0.87 -1.19 121.76 121.17 1fun s ALA 6 Ca -0.11 0.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.81 1fun s ALA 6 Cb -0.05 -0.41 0.04 0.00 0.00 0.00 0.00 23.12 22.70 1fun s ALA 6 CO -0.01 -0.10 0.20 0.08 0.00 0.00 0.00 175.76 175.92 1fun s VAL 7 N 1.11 4.41 -0.24 0.00 1.01 -1.26 -0.57 120.40 124.86 1fun s VAL 7 Ca -0.08 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 60.64 1fun s VAL 7 Cb -0.14 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1fun s VAL 7 CO -0.01 -0.26 0.99 -0.76 0.00 0.00 0.00 175.10 175.05 1fun s LEU 8 N 1.51 4.09 0.18 3.92 1.43 0.11 -4.34 118.68 125.59 1fun s LEU 8 Ca 0.01 1.28 0.02 0.00 -1.03 0.00 0.00 54.13 54.42 1fun s LEU 8 Cb -0.20 -3.46 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 1fun s LEU 8 CO 0.06 -0.64 -0.00 -0.54 0.23 0.00 0.00 176.35 175.45 1fun s LYS 9 N 3.14 1.16 0.12 1.70 -0.14 -0.77 -2.50 119.74 122.45 1fun s LYS 9 Ca 0.42 -1.56 -0.11 0.00 -1.36 0.00 0.00 55.97 53.35 1fun s LYS 9 Cb -0.15 -0.34 0.04 0.00 -1.68 0.00 0.00 37.83 35.70 1fun s LYS 9 CO 0.07 -0.12 0.56 0.41 -0.76 0.00 0.00 175.35 175.50 1fun n GLY 10 N -0.28 0.99 0.75 -3.33 0.00 -1.26 -1.17 105.19 100.89 1fun n GLY 10 Ca -0.06 -1.06 0.07 0.00 0.00 0.00 0.00 46.02 44.96 1fun n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fun n ASP 11 N -1.03 2.18 0.00 1.61 5.75 -1.26 -4.87 116.55 118.93 1fun n ASP 11 Ca -0.02 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 1fun n ASP 11 Cb 0.33 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 1fun n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fun n GLY 12 N 1.15 6.04 0.12 6.12 0.00 -1.26 -5.04 105.19 112.32 1fun n GLY 12 Ca 0.14 -1.96 0.13 0.00 0.00 0.00 0.00 46.02 44.32 1fun n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fun n PRO 13 N 0.00 0.46 -2.44 1.61 -0.04 -1.26 -4.95 135.00 128.38 1fun n PRO 13 Ca 0.00 -0.25 -0.41 0.00 -0.04 0.00 0.00 63.50 62.80 1fun n PRO 13 Cb 0.00 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 31.93 1fun n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1fun s VAL 14 N -2.72 3.58 -0.05 0.52 1.01 -1.26 -4.56 120.40 116.92 1fun s VAL 14 Ca 0.19 1.45 -0.31 0.00 0.00 0.00 0.00 61.98 63.31 1fun s VAL 14 Cb 0.19 -3.92 0.11 0.00 0.00 0.00 0.00 36.38 32.76 1fun s VAL 14 CO 0.59 0.29 1.10 0.00 0.00 0.00 0.00 175.10 177.07 1fun s GLN 15 N -0.84 0.61 0.00 2.72 -2.07 -0.81 -4.01 119.66 115.25 1fun s GLN 15 Ca 0.48 -0.27 0.00 0.00 -1.82 0.00 0.00 55.36 53.75 1fun s GLN 15 Cb -0.32 0.25 0.00 0.00 -1.09 0.00 0.00 33.01 31.85 1fun s GLN 15 CO 0.39 -0.27 0.00 0.41 -1.32 0.00 0.00 175.29 174.50 1fun n GLY 16 N -0.27 0.57 3.12 2.60 0.00 -1.04 -0.37 105.19 109.80 1fun n GLY 16 Ca -0.05 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 1fun n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fun s ILE 17 N -2.00 2.12 -0.12 -0.61 1.01 -1.07 0.05 121.20 120.58 1fun s ILE 17 Ca 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 60.65 59.62 1fun s ILE 17 Cb 0.00 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 1fun s ILE 17 CO 0.00 0.47 -0.02 -0.63 0.00 0.00 0.00 174.94 174.76 1fun s ILE 18 N 1.28 4.04 0.17 2.92 -1.09 0.26 -3.05 121.20 125.73 1fun s ILE 18 Ca 0.04 -0.32 0.09 0.00 -2.23 0.00 0.00 60.65 58.22 1fun s ILE 18 Cb -0.14 -2.74 -0.04 0.00 -1.58 0.00 0.00 42.46 37.96 1fun s ILE 18 CO -0.12 0.54 -0.10 0.20 -1.23 0.00 0.00 174.94 174.23 1fun s ASN 19 N -0.19 4.24 0.01 3.58 0.01 0.66 -0.09 114.94 123.16 1fun s ASN 19 Ca 0.04 -0.56 0.01 0.00 -0.71 0.00 0.00 52.86 51.64 1fun s ASN 19 Cb -0.13 -0.72 -0.01 0.00 0.41 0.00 0.00 41.25 40.80 1fun s ASN 19 CO 0.02 0.11 -0.05 -0.36 -1.51 0.00 0.00 177.10 175.31 1fun s PHE 20 N -1.64 0.44 -0.00 2.20 0.40 -0.74 -0.37 117.98 118.27 1fun s PHE 20 Ca 0.24 -0.22 -0.01 0.00 -0.60 0.00 0.00 56.93 56.35 1fun s PHE 20 Cb -0.09 -0.28 -0.00 0.00 0.51 0.00 0.00 43.02 43.16 1fun s PHE 20 CO 0.15 -0.04 0.01 -2.00 0.70 0.00 0.00 175.22 174.04 1fun s GLU 21 N -0.59 0.08 -0.20 0.44 2.12 -0.43 -1.78 118.70 118.34 1fun s GLU 21 Ca -0.03 -0.10 -0.04 0.00 0.36 0.00 0.00 54.97 55.16 1fun s GLU 21 Cb -0.04 0.03 0.07 0.00 0.26 0.00 0.00 34.13 34.45 1fun s GLU 21 CO -0.00 -0.01 0.08 -1.14 -0.54 0.00 0.00 175.26 173.64 1fun s GLN 22 N -0.29 0.33 0.21 4.30 0.74 0.15 -0.67 119.66 124.44 1fun s GLN 22 Ca -0.03 -0.33 -0.09 0.00 0.05 0.00 0.00 55.36 54.96 1fun s GLN 22 Cb -0.02 -1.85 0.16 0.00 1.10 0.00 0.00 33.01 32.39 1fun s GLN 22 CO -0.00 -0.73 1.83 0.87 -0.55 0.00 0.00 175.29 176.71 1fun h LYS 23 N 8.33 1.07 -3.62 1.67 6.56 -1.84 -3.42 116.57 125.32 1fun h LYS 23 Ca -0.16 -0.12 -0.17 0.00 -1.06 0.00 0.00 60.65 59.14 1fun h LYS 23 Cb 1.11 -0.21 -0.23 0.00 -0.57 0.00 0.00 32.23 32.33 1fun h LYS 23 CO 0.34 0.78 -0.59 -1.83 -2.06 0.00 0.00 179.45 176.09 1fun s GLU 24 N -5.88 0.29 0.47 3.15 -1.05 -1.26 -5.06 118.70 109.36 1fun s GLU 24 Ca -0.13 -0.24 0.33 0.00 -0.15 0.00 0.00 54.97 54.79 1fun s GLU 24 Cb 0.15 0.12 1.47 0.00 -0.44 0.00 0.00 34.13 35.43 1fun s GLU 24 CO 0.80 -0.06 1.64 0.66 0.95 0.00 0.00 175.26 179.26 1fun h SER 25 N 5.06 0.19 -0.55 0.83 4.64 -1.95 0.14 113.55 121.92 1fun h SER 25 Ca -0.29 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1fun h SER 25 Cb 1.20 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1fun h SER 25 CO 0.42 -0.11 0.00 -0.46 -0.87 0.00 0.00 176.83 175.81 1fun n ASN 26 N -4.51 3.53 -3.89 4.97 6.94 -1.26 -4.93 115.26 116.11 1fun n ASN 26 Ca 0.36 -1.98 -0.17 0.00 -0.02 0.00 0.00 54.58 52.78 1fun n ASN 26 Cb 1.47 -0.36 0.08 0.00 -2.36 0.00 0.00 39.78 38.62 1fun n ASN 26 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1fun n GLY 27 N 1.29 0.80 3.84 4.83 0.00 0.50 -5.09 105.19 111.34 1fun n GLY 27 Ca 0.20 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 43.86 1fun n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fun s PRO 28 N -4.34 4.08 -0.16 1.61 0.04 -1.26 -4.91 135.00 130.05 1fun s PRO 28 Ca 0.48 0.91 -0.17 0.00 0.04 0.00 0.00 61.00 62.26 1fun s PRO 28 Cb -0.03 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1fun s PRO 28 CO 0.32 -0.02 0.44 0.08 0.04 0.00 0.00 177.00 177.86 1fun s VAL 29 N -2.22 5.19 -0.22 -0.36 1.01 0.24 -4.57 120.40 119.46 1fun s VAL 29 Ca 0.58 0.84 -0.25 0.00 0.00 0.00 0.00 61.98 63.15 1fun s VAL 29 Cb -0.10 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1fun s VAL 29 CO 0.19 0.28 0.86 -0.54 0.00 0.00 0.00 175.10 175.89 1fun s LYS 30 N 1.01 4.22 -0.20 2.72 1.02 0.15 -0.74 119.74 127.92 1fun s LYS 30 Ca 0.23 1.01 -0.04 0.00 0.02 0.00 0.00 55.97 57.19 1fun s LYS 30 Cb -0.15 -3.62 -0.02 0.00 -0.52 0.00 0.00 37.83 33.52 1fun s LYS 30 CO 0.09 -0.48 -0.03 0.08 -0.92 0.00 0.00 175.35 174.09 1fun s VAL 31 N 2.69 3.63 0.00 3.17 1.01 -0.08 -1.31 120.40 129.51 1fun s VAL 31 Ca 0.37 -0.42 -0.24 0.00 0.00 0.00 0.00 61.98 61.69 1fun s VAL 31 Cb -0.16 -2.64 0.05 0.00 0.00 0.00 0.00 36.38 33.64 1fun s VAL 31 CO 0.09 0.43 0.53 -1.66 0.00 0.00 0.00 175.10 174.48 1fun s TRP 32 N 1.18 -0.45 -5.00 5.22 -2.14 0.50 -1.11 118.94 117.14 1fun s TRP 32 Ca 0.02 0.64 0.00 0.00 2.66 0.00 0.00 56.10 59.43 1fun s TRP 32 Cb -0.14 0.31 0.00 0.00 -3.10 0.00 0.00 33.47 30.53 1fun s TRP 32 CO -0.00 -0.58 0.00 0.41 -2.66 0.00 0.00 176.95 174.12 1fun n GLY 33 N 0.76 -0.22 3.10 3.67 0.00 -0.77 -0.25 105.19 111.48 1fun n GLY 33 Ca -0.19 -1.55 -0.08 0.00 0.00 0.00 0.00 46.02 44.20 1fun n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fun s SER 34 N -4.00 0.37 0.08 1.61 1.04 -1.17 0.18 113.70 111.81 1fun s SER 34 Ca 0.00 -0.84 0.09 0.00 0.48 0.00 0.00 55.95 55.68 1fun s SER 34 Cb 0.00 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 1fun s SER 34 CO 0.00 -0.58 -0.25 -0.63 0.98 0.00 0.00 173.24 172.77 1fun s ILE 35 N -3.50 2.02 0.15 -1.02 1.01 -0.42 -2.59 121.20 116.84 1fun s ILE 35 Ca 0.03 -1.51 0.05 0.00 0.00 0.00 0.00 60.65 59.22 1fun s ILE 35 Cb 0.05 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 1fun s ILE 35 CO -0.09 0.17 -0.11 -1.59 0.00 0.00 0.00 174.94 173.32 1fun s LYS 36 N -1.63 1.06 0.00 2.79 -2.85 0.51 -0.66 119.74 118.96 1fun s LYS 36 Ca 0.11 -1.43 0.00 0.00 -1.00 0.00 0.00 55.97 53.65 1fun s LYS 36 Cb -0.10 -0.68 0.00 0.00 -2.06 0.00 0.00 37.83 35.00 1fun s LYS 36 CO 0.04 0.09 0.00 0.41 0.10 0.00 0.00 175.35 175.99 1fun n GLY 37 N -0.11 0.73 3.97 0.59 0.00 -0.80 -1.93 105.19 107.64 1fun n GLY 37 Ca -0.11 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 1fun n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fun s LEU 38 N 0.00 3.89 0.27 0.99 1.43 -0.66 -4.21 118.68 120.39 1fun s LEU 38 Ca 0.00 0.13 -0.20 0.00 -1.03 0.00 0.00 54.13 53.03 1fun s LEU 38 Cb 0.00 -3.01 -0.09 0.00 0.03 0.00 0.00 46.19 43.12 1fun s LEU 38 CO 0.00 -0.47 0.78 0.42 0.23 0.00 0.00 176.35 177.30 1fun s THR 39 N -2.32 4.51 0.15 5.49 -4.23 -1.26 -4.06 115.64 113.92 1fun s THR 39 Ca 0.44 1.34 -0.33 0.00 -1.18 0.00 0.00 61.69 61.96 1fun s THR 39 Cb -0.10 -3.84 -0.13 0.00 1.34 0.00 0.00 72.50 69.78 1fun s THR 39 CO 0.34 0.11 1.65 1.21 -0.54 0.00 0.00 174.62 177.39 1fun n GLU 40 N 0.46 2.31 -0.04 3.99 2.13 -1.26 -4.56 120.64 123.67 1fun n GLU 40 Ca -0.00 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.65 1fun n GLU 40 Cb 0.51 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 29.59 1fun n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1fun n GLY 41 N 3.65 0.98 3.80 8.31 0.00 -0.30 -4.91 105.19 116.73 1fun n GLY 41 Ca 0.17 -1.93 -0.34 0.00 0.00 0.00 0.00 46.02 43.92 1fun n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fun s LEU 42 N 0.00 3.88 -0.06 0.99 1.43 -1.25 -0.85 118.68 122.82 1fun s LEU 42 Ca 0.00 1.85 -0.02 0.00 -1.03 0.00 0.00 54.13 54.93 1fun s LEU 42 Cb 0.00 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.71 1fun s LEU 42 CO 0.00 -0.64 0.13 -1.00 0.23 0.00 0.00 176.35 175.07 1fun s HIS 43 N -2.04 -0.13 0.22 0.29 3.76 0.33 -3.80 115.29 113.92 1fun s HIS 43 Ca 0.65 0.42 -0.32 0.00 -0.15 0.00 0.00 55.06 55.67 1fun s HIS 43 Cb -0.14 -0.10 -0.14 0.00 1.11 0.00 0.00 32.58 33.31 1fun s HIS 43 CO 0.18 -0.15 1.39 0.41 -0.85 0.00 0.00 174.74 175.72 1fun n GLY 44 N 4.13 0.72 2.60 -2.22 0.00 -0.27 -0.43 105.19 109.72 1fun n GLY 44 Ca -0.26 0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 1fun n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1fun s PHE 45 N 0.00 0.62 0.18 1.61 5.36 -0.68 -0.30 117.98 124.78 1fun s PHE 45 Ca 0.70 -0.96 0.02 0.00 -0.96 0.00 0.00 56.93 55.72 1fun s PHE 45 Cb -0.68 -1.04 -0.05 0.00 -0.34 0.00 0.00 43.02 40.92 1fun s PHE 45 CO 0.49 -0.78 0.01 -1.01 -1.46 0.00 0.00 175.22 172.47 1fun s HIS 46 N 2.00 1.27 -0.25 10.12 3.76 -1.02 -2.07 115.29 129.10 1fun s HIS 46 Ca 0.07 -1.01 -0.08 0.00 -0.15 0.00 0.00 55.06 53.89 1fun s HIS 46 Cb -0.16 -0.72 -0.04 0.00 1.11 0.00 0.00 32.58 32.77 1fun s HIS 46 CO -0.29 -0.20 0.10 0.08 -0.85 0.00 0.00 174.74 173.58 1fun s VAL 47 N -3.63 4.60 0.29 -0.90 1.01 0.20 -0.87 120.40 121.09 1fun s VAL 47 Ca 0.25 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1fun s VAL 47 Cb 0.06 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1fun s VAL 47 CO 0.05 0.33 0.47 -1.00 0.00 0.00 0.00 175.10 174.95 1fun s HIS 48 N 1.48 3.48 0.08 5.22 3.76 0.11 -0.50 115.29 128.93 1fun s HIS 48 Ca 0.06 0.28 -0.23 0.00 -0.15 0.00 0.00 55.06 55.02 1fun s HIS 48 Cb -0.15 -1.82 -0.09 0.00 1.11 0.00 0.00 32.58 31.63 1fun s HIS 48 CO 0.05 0.26 1.37 1.49 -0.85 0.00 0.00 174.74 177.05 1fun h GLU 49 N 1.17 -0.38 -6.21 1.40 4.81 -0.41 -3.03 114.58 111.94 1fun h GLU 49 Ca -0.50 0.03 -0.58 0.00 -0.13 0.00 0.00 59.36 58.18 1fun h GLU 49 Cb 1.21 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.64 1fun h GLU 49 CO 0.63 -0.25 -0.21 -0.06 -0.73 0.00 0.00 179.01 178.39 1fun s PHE 50 N -4.81 3.54 -0.46 0.92 0.08 -0.01 -4.53 117.98 112.71 1fun s PHE 50 Ca -0.10 0.81 -0.00 0.00 0.12 0.00 0.00 56.93 57.75 1fun s PHE 50 Cb 0.05 -2.18 0.38 0.00 -0.57 0.00 0.00 43.02 40.69 1fun s PHE 50 CO 0.41 0.45 1.95 0.41 -0.10 0.00 0.00 175.22 178.33 1fun n GLY 51 N 0.58 4.76 3.59 4.36 0.00 -1.11 -2.91 105.19 114.46 1fun n GLY 51 Ca -0.05 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 1fun n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fun s ASP 52 N -0.84 6.41 -0.14 1.61 -1.08 -1.26 -4.91 116.67 116.46 1fun s ASP 52 Ca 0.47 0.33 0.17 0.00 -0.52 0.00 0.00 52.55 53.00 1fun s ASP 52 Cb 0.38 -2.29 0.40 0.00 -1.46 0.00 0.00 42.92 39.95 1fun s ASP 52 CO 0.01 -0.40 1.29 -3.20 0.52 0.00 0.00 175.17 173.39 1fun n ASN 53 N 5.70 3.15 0.30 -0.34 2.85 -1.26 -3.24 115.26 122.42 1fun n ASN 53 Ca -0.03 -2.95 0.18 0.00 -0.11 0.00 0.00 54.58 51.67 1fun n ASN 53 Cb 0.49 -0.46 0.94 0.00 1.24 0.00 0.00 39.78 41.99 1fun n ASN 53 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1fun h THR 54 N 1.03 0.24 -1.34 -0.44 1.35 -1.93 -2.96 112.91 108.86 1fun h THR 54 Ca 0.00 -0.25 -0.49 0.00 -0.55 0.00 0.00 66.41 65.12 1fun h THR 54 Cb 1.19 1.20 -0.41 0.00 -1.73 0.00 0.00 68.15 68.39 1fun h THR 54 CO 0.11 0.03 -0.95 0.00 -0.25 0.00 0.00 175.52 174.47 1fun n ALA 55 N -2.17 4.25 -0.83 6.62 0.00 -1.26 -5.06 120.51 122.05 1fun n ALA 55 Ca -0.02 -3.79 0.00 0.00 0.00 0.00 0.00 53.44 49.63 1fun n ALA 55 Cb 0.16 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1fun n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fun n GLY 56 N -0.27 1.62 0.00 0.00 0.00 -1.12 -2.54 105.19 102.89 1fun n GLY 56 Ca 0.25 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.83 1fun n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fun h THR 58 N 0.00 1.15 0.00 0.00 2.02 -1.83 -1.87 112.91 112.37 1fun h THR 58 Ca 0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1fun h THR 58 Cb 0.51 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1fun h THR 58 CO 0.00 0.15 0.00 -1.54 0.37 0.00 0.00 175.52 174.50 1fun n SER 59 N -4.71 0.00 0.26 4.18 3.41 -1.23 -3.19 113.62 112.34 1fun n SER 59 Ca 0.02 -0.04 0.17 0.00 -0.26 0.00 0.00 58.87 58.76 1fun n SER 59 Cb 0.05 -0.23 0.79 0.00 -0.26 0.00 0.00 64.21 64.56 1fun n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fun h ALA 60 N 2.77 1.00 -0.58 7.33 0.00 -1.31 -3.40 119.26 125.07 1fun h ALA 60 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1fun h ALA 60 Cb 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1fun h ALA 60 CO 0.00 0.00 -0.09 0.41 0.00 0.00 0.00 179.25 179.57 1fun n GLY 61 N -0.43 -2.19 3.54 0.00 0.00 -1.19 -0.83 105.19 104.08 1fun n GLY 61 Ca -0.00 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 1fun n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fun s PRO 62 N -1.19 -1.29 0.42 1.61 0.04 -1.26 -4.39 135.00 128.94 1fun s PRO 62 Ca 0.00 0.13 -0.26 0.00 0.04 0.00 0.00 61.00 60.91 1fun s PRO 62 Cb 0.00 -1.57 -0.09 0.00 0.04 0.00 0.00 34.50 32.88 1fun s PRO 62 CO 0.00 -3.80 1.39 -1.01 0.04 0.00 0.00 177.00 173.62 1fun s HIS 63 N -2.82 2.62 0.02 0.56 3.76 -1.26 0.05 115.29 118.22 1fun s HIS 63 Ca 0.69 1.31 -0.30 0.00 -0.15 0.00 0.00 55.06 56.61 1fun s HIS 63 Cb -0.13 -3.84 -0.09 0.00 1.11 0.00 0.00 32.58 29.63 1fun s HIS 63 CO 0.57 -2.61 1.99 0.34 -0.85 0.00 0.00 174.74 174.18 1fun n PHE 64 N 0.03 2.48 -2.96 1.40 7.35 0.35 -4.33 117.46 121.77 1fun n PHE 64 Ca 0.04 -0.35 -0.16 0.00 -0.76 0.00 0.00 57.45 56.22 1fun n PHE 64 Cb 0.42 -2.80 -0.01 0.00 0.35 0.00 0.00 39.48 37.45 1fun n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1fun n ASN 65 N 7.76 -1.46 -0.16 -2.13 5.15 -1.26 -1.05 115.26 122.11 1fun n ASN 65 Ca 0.21 -3.01 -0.06 0.00 -0.60 0.00 0.00 54.58 51.12 1fun n ASN 65 Cb 0.41 0.67 0.04 0.00 -0.53 0.00 0.00 39.78 40.36 1fun n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1fun h PRO 66 N 4.02 0.54 -0.34 1.20 0.13 -1.96 -2.51 132.00 133.08 1fun h PRO 66 Ca -0.04 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1fun h PRO 66 Cb 0.96 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1fun h PRO 66 CO 0.39 0.35 0.00 1.28 -0.23 0.00 0.00 178.00 179.79 1fun n LEU 67 N -4.83 0.34 -4.21 1.56 4.77 -1.26 -4.86 117.00 108.51 1fun n LEU 67 Ca 0.03 -0.17 -0.33 0.00 -0.03 0.00 0.00 56.01 55.51 1fun n LEU 67 Cb 0.09 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 1fun n LEU 67 CO 0.31 0.09 -0.20 -0.24 -1.33 0.00 0.00 177.39 176.02 1fun n SER 68 N -0.21 -1.30 -4.98 -1.43 2.88 -0.94 -4.95 113.62 102.69 1fun n SER 68 Ca 0.00 -1.10 -0.19 0.00 -1.33 0.00 0.00 58.87 56.25 1fun n SER 68 Cb 0.09 -2.43 0.03 0.00 -0.75 0.00 0.00 64.21 61.15 1fun n SER 68 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1fun s ARG 69 N -6.96 2.59 0.74 -1.46 0.52 -1.26 -5.10 118.95 108.01 1fun s ARG 69 Ca 0.38 -1.15 -0.12 0.00 -0.52 0.00 0.00 55.73 54.33 1fun s ARG 69 Cb -0.21 -2.63 0.04 0.00 0.52 0.00 0.00 34.95 32.67 1fun s ARG 69 CO 0.95 -0.57 1.12 0.15 0.02 0.00 0.00 175.30 176.97 1fun s LYS 70 N -4.58 2.53 0.84 3.54 1.02 -1.26 -4.74 119.74 117.09 1fun s LYS 70 Ca 0.57 0.36 -0.11 0.00 0.02 0.00 0.00 55.97 56.81 1fun s LYS 70 Cb -0.09 -1.99 0.10 0.00 -0.52 0.00 0.00 37.83 35.32 1fun s LYS 70 CO 0.36 -1.25 1.09 -1.58 -0.92 0.00 0.00 175.35 173.05 1fun s HIS 71 N -3.42 2.43 -0.67 3.18 5.65 -0.76 -2.95 115.29 118.75 1fun s HIS 71 Ca 0.60 1.37 0.00 0.00 0.25 0.00 0.00 55.06 57.28 1fun s HIS 71 Cb -0.11 -3.11 0.00 0.00 -1.18 0.00 0.00 32.58 28.17 1fun s HIS 71 CO 0.51 -2.15 0.00 0.41 -0.65 0.00 0.00 174.74 172.87 1fun n GLY 72 N -1.17 -1.33 3.84 1.59 0.00 -1.26 -4.57 105.19 102.29 1fun n GLY 72 Ca 0.08 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 1fun n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fun s GLY 73 N 0.00 1.60 0.18 -0.02 0.00 -1.22 -4.66 107.32 103.20 1fun s GLY 73 Ca 0.00 -0.67 0.23 0.00 0.00 0.00 0.00 44.72 44.28 1fun s GLY 73 CO 0.00 -0.10 1.70 -1.55 0.00 0.00 0.00 173.10 173.15 1fun n PRO 74 N -3.63 0.16 -1.45 2.90 -0.04 -1.26 -3.33 135.00 128.36 1fun n PRO 74 Ca 0.08 0.30 -0.34 0.00 -0.04 0.00 0.00 63.50 63.50 1fun n PRO 74 Cb 0.60 -1.75 0.07 0.00 -0.04 0.00 0.00 33.50 32.38 1fun n PRO 74 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1fun n LYS 75 N -2.04 2.79 -4.29 0.54 4.76 -1.26 -4.97 118.16 113.69 1fun n LYS 75 Ca 0.04 -3.40 -0.15 0.00 -2.87 0.00 0.00 58.31 51.92 1fun n LYS 75 Cb 0.28 -2.29 -0.10 0.00 -1.84 0.00 0.00 35.03 31.08 1fun n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1fun s ASP 76 N -1.96 1.63 -0.10 4.39 1.01 -1.21 -5.07 116.67 115.35 1fun s ASP 76 Ca 0.63 -1.16 -0.02 0.00 0.71 0.00 0.00 52.55 52.71 1fun s ASP 76 Cb 0.49 0.04 -0.01 0.00 1.01 0.00 0.00 42.92 44.46 1fun s ASP 76 CO -0.03 -0.49 -0.03 -0.33 0.21 0.00 0.00 175.17 174.49 1fun h GLU 77 N 2.61 0.00 -6.22 8.23 3.07 -1.93 -3.40 114.58 116.93 1fun h GLU 77 Ca -0.37 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 57.94 1fun h GLU 77 Cb 1.21 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 29.04 1fun h GLU 77 CO 0.64 0.00 1.21 -2.00 -1.40 0.00 0.00 179.01 177.45 1fun s GLU 78 N -1.65 3.24 0.19 2.33 2.12 -1.26 -4.87 118.70 118.79 1fun s GLU 78 Ca -0.03 -0.45 -0.20 0.00 0.36 0.00 0.00 54.97 54.66 1fun s GLU 78 Cb 0.00 -4.61 0.04 0.00 0.26 0.00 0.00 34.13 29.83 1fun s GLU 78 CO 0.04 -2.28 0.57 -0.98 -0.54 0.00 0.00 175.26 172.08 1fun s ARG 79 N 5.67 1.38 0.31 4.30 1.04 -1.16 -4.36 118.95 126.15 1fun s ARG 79 Ca 0.43 -0.72 -0.17 0.00 -1.04 0.00 0.00 55.73 54.22 1fun s ARG 79 Cb -0.06 0.56 -0.09 0.00 -2.04 0.00 0.00 34.95 33.32 1fun s ARG 79 CO 0.07 -0.60 0.77 -1.01 -0.04 0.00 0.00 175.30 174.49 1fun s HIS 80 N -3.83 3.44 0.44 5.89 3.76 -1.15 -4.62 115.29 119.22 1fun s HIS 80 Ca 0.06 1.34 0.11 0.00 -0.15 0.00 0.00 55.06 56.41 1fun s HIS 80 Cb -0.02 -2.62 0.99 0.00 1.11 0.00 0.00 32.58 32.05 1fun s HIS 80 CO -0.06 0.13 2.06 0.28 -0.85 0.00 0.00 174.74 176.30 1fun h VAL 81 N 2.17 1.04 -0.04 -0.90 2.07 -1.91 -1.73 116.25 116.95 1fun h VAL 81 Ca -0.48 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1fun h VAL 81 Cb 1.18 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1fun h VAL 81 CO 0.65 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.92 1fun n GLY 82 N -1.50 -0.64 3.51 2.17 0.00 -0.21 -4.50 105.19 104.02 1fun n GLY 82 Ca 0.03 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1fun n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fun s ASP 83 N -1.67 6.17 -0.27 1.61 1.01 -0.65 0.61 116.67 123.48 1fun s ASP 83 Ca 0.33 -0.65 0.12 0.00 0.71 0.00 0.00 52.55 53.05 1fun s ASP 83 Cb 0.16 -2.50 0.78 0.00 1.01 0.00 0.00 42.92 42.37 1fun s ASP 83 CO 0.26 -1.66 1.77 0.18 0.21 0.00 0.00 175.17 175.92 1fun n LEU 84 N 8.67 5.88 0.00 1.23 4.77 -0.88 -3.98 117.00 132.68 1fun n LEU 84 Ca 0.00 -3.02 0.00 0.00 -0.03 0.00 0.00 56.01 52.97 1fun n LEU 84 Cb 0.48 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1fun n LEU 84 CO 0.68 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 178.05 1fun n GLY 85 N 0.29 0.79 3.02 -0.72 0.00 -1.19 -4.77 105.19 102.61 1fun n GLY 85 Ca 0.33 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 1fun n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1fun s ASN 86 N -4.00 0.15 0.27 1.61 0.01 -1.26 -1.68 114.94 110.03 1fun s ASN 86 Ca 0.00 -0.36 0.09 0.00 -0.71 0.00 0.00 52.86 51.89 1fun s ASN 86 Cb 0.00 0.14 -0.04 0.00 0.41 0.00 0.00 41.25 41.75 1fun s ASN 86 CO 0.00 -0.30 0.02 0.68 -1.51 0.00 0.00 177.10 175.99 1fun s VAL 87 N -1.33 3.56 -0.13 1.60 -7.23 0.43 -4.80 120.40 112.50 1fun s VAL 87 Ca -0.14 -1.84 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 1fun s VAL 87 Cb -0.08 -2.92 0.02 0.00 0.56 0.00 0.00 36.38 33.95 1fun s VAL 87 CO -0.00 -0.37 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.37 1fun s THR 88 N -2.30 1.65 -0.08 5.32 2.01 -1.26 0.12 115.64 121.11 1fun s THR 88 Ca 0.32 -0.71 -0.09 0.00 0.31 0.00 0.00 61.69 61.51 1fun s THR 88 Cb -0.06 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 1fun s THR 88 CO 0.21 0.47 0.22 0.00 -0.69 0.00 0.00 174.62 174.83 1fun s ALA 89 N 1.14 3.83 1.00 7.40 0.00 -0.03 -4.13 121.76 130.96 1fun s ALA 89 Ca -0.02 -0.53 -0.05 0.00 0.00 0.00 0.00 51.96 51.36 1fun s ALA 89 Cb -0.14 -2.08 0.07 0.00 0.00 0.00 0.00 23.12 20.97 1fun s ALA 89 CO -0.05 0.59 0.44 -0.40 0.00 0.00 0.00 175.76 176.33 1fun n ASP 90 N 1.88 0.04 0.00 0.00 5.68 -0.58 -1.15 116.55 122.41 1fun n ASP 90 Ca -0.18 -1.16 0.05 0.00 -0.50 0.00 0.00 54.79 53.00 1fun n ASP 90 Cb 0.54 -0.33 0.30 0.00 -1.14 0.00 0.00 41.12 40.49 1fun n ASP 90 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1fun n LYS 91 N -1.92 0.44 -0.01 0.11 -0.00 -1.26 -0.31 118.16 115.21 1fun n LYS 91 Ca 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.37 1fun n LYS 91 Cb 0.19 -1.36 -0.12 0.00 -0.00 0.00 0.00 35.03 33.74 1fun n LYS 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1fun n ASP 92 N -0.86 0.42 0.00 -5.58 9.92 -1.26 -4.94 116.55 114.25 1fun n ASP 92 Ca 0.08 0.18 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 1fun n ASP 92 Cb 0.04 0.87 0.00 0.00 -0.64 0.00 0.00 41.12 41.38 1fun n ASP 92 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1fun n GLY 93 N 1.44 1.03 3.51 0.44 0.00 0.58 -4.68 105.19 107.51 1fun n GLY 93 Ca -0.14 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1fun n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fun s VAL 94 N -2.00 4.13 -0.18 1.61 1.01 -1.26 -1.65 120.40 122.06 1fun s VAL 94 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 1fun s VAL 94 Cb 0.00 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 1fun s VAL 94 CO 0.00 0.46 -0.06 0.00 0.00 0.00 0.00 175.10 175.49 1fun s ALA 95 N 0.63 2.81 -0.43 5.51 0.00 0.16 -1.53 121.76 128.91 1fun s ALA 95 Ca -0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 51.96 50.82 1fun s ALA 95 Cb -0.14 -1.55 0.06 0.00 0.00 0.00 0.00 23.12 21.49 1fun s ALA 95 CO 0.02 -0.10 0.30 -0.51 0.00 0.00 0.00 175.76 175.48 1fun s ASP 96 N 0.92 5.90 -0.03 0.00 1.11 -1.26 -1.30 116.67 122.01 1fun s ASP 96 Ca -0.01 -1.27 -0.30 0.00 0.18 0.00 0.00 52.55 51.16 1fun s ASP 96 Cb -0.15 -2.09 -0.03 0.00 1.07 0.00 0.00 42.92 41.73 1fun s ASP 96 CO 0.01 -0.54 0.97 -0.69 1.18 0.00 0.00 175.17 176.10 1fun s VAL 97 N 1.56 4.86 -0.46 -1.27 1.01 0.13 -4.91 120.40 121.32 1fun s VAL 97 Ca 0.03 2.02 0.06 0.00 0.00 0.00 0.00 61.98 64.10 1fun s VAL 97 Cb -0.22 -4.30 0.22 0.00 0.00 0.00 0.00 36.38 32.08 1fun s VAL 97 CO 0.06 0.13 0.68 -0.24 0.00 0.00 0.00 175.10 175.73 1fun n SER 98 N 4.13 -1.81 -4.94 3.32 2.88 -1.25 -1.84 113.62 114.11 1fun n SER 98 Ca 0.06 -2.93 -0.20 0.00 -1.33 0.00 0.00 58.87 54.47 1fun n SER 98 Cb 0.51 0.79 -0.02 0.00 -0.75 0.00 0.00 64.21 64.74 1fun n SER 98 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1fun s ILE 99 N 0.11 4.46 -0.16 2.46 1.01 -0.27 -4.97 121.20 123.85 1fun s ILE 99 Ca 0.33 -1.11 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 1fun s ILE 99 Cb 0.14 -3.53 0.06 0.00 0.01 0.00 0.00 42.46 39.14 1fun s ILE 99 CO -0.17 -0.25 0.12 -0.70 0.00 0.00 0.00 174.94 173.95 1fun s GLU 100 N -4.03 0.08 0.03 2.79 2.12 -1.26 -0.91 118.70 117.51 1fun s GLU 100 Ca 0.39 0.09 0.06 0.00 0.36 0.00 0.00 54.97 55.86 1fun s GLU 100 Cb -0.09 -1.42 -0.03 0.00 0.26 0.00 0.00 34.13 32.85 1fun s GLU 100 CO 0.29 -0.60 -0.14 0.34 -0.54 0.00 0.00 175.26 174.61 1fun s ASP 101 N 2.20 4.10 -0.01 -1.70 2.15 0.08 -4.92 116.67 118.57 1fun s ASP 101 Ca 0.04 -0.32 0.15 0.00 0.43 0.00 0.00 52.55 52.84 1fun s ASP 101 Cb -0.15 -0.78 -0.20 0.00 -0.30 0.00 0.00 42.92 41.49 1fun s ASP 101 CO -0.09 0.27 0.44 -1.54 -0.17 0.00 0.00 175.17 174.08 1fun n SER 102 N 1.56 1.23 0.04 -0.34 3.41 -1.26 0.80 113.62 119.06 1fun n SER 102 Ca -0.16 -0.34 -0.20 0.00 -0.26 0.00 0.00 58.87 57.91 1fun n SER 102 Cb 0.52 1.41 -0.14 0.00 -0.26 0.00 0.00 64.21 65.74 1fun n SER 102 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1fun h VAL 103 N 0.00 1.36 -4.19 -3.33 2.07 -1.94 -3.46 116.25 106.77 1fun h VAL 103 Ca 0.00 -2.49 -0.47 0.00 0.82 0.00 0.00 66.70 64.55 1fun h VAL 103 Cb 0.54 3.05 0.02 0.00 -1.52 0.00 0.00 31.29 33.38 1fun h VAL 103 CO 0.00 0.71 0.38 0.27 0.02 0.00 0.00 177.57 178.94 1fun s ILE 104 N -2.44 4.41 0.12 4.57 -4.36 -1.26 -4.91 121.20 117.33 1fun s ILE 104 Ca -0.16 1.16 -0.03 0.00 -0.26 0.00 0.00 60.65 61.35 1fun s ILE 104 Cb 0.02 -3.66 -0.03 0.00 1.25 0.00 0.00 42.46 40.04 1fun s ILE 104 CO 0.81 -0.66 0.10 -0.55 0.24 0.00 0.00 174.94 174.88 1fun s SER 105 N -3.02 0.27 -0.24 4.36 0.15 -1.11 -4.46 113.70 109.63 1fun s SER 105 Ca 0.60 -1.05 0.14 0.00 0.70 0.00 0.00 55.95 56.34 1fun s SER 105 Cb -0.11 0.31 0.70 0.00 -1.71 0.00 0.00 66.02 65.21 1fun s SER 105 CO 0.32 -0.74 1.65 0.18 1.20 0.00 0.00 173.24 175.85 1fun n LEU 106 N -0.08 5.15 -3.56 3.45 4.77 -1.26 -1.70 117.00 123.78 1fun n LEU 106 Ca -0.08 -3.08 -0.09 0.00 -0.03 0.00 0.00 56.01 52.73 1fun n LEU 106 Cb 0.63 -0.65 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 1fun n LEU 106 CO 0.28 0.72 0.78 -0.94 -1.33 0.00 0.00 177.39 176.90 1fun s SER 107 N -1.31 -0.33 0.00 -1.43 1.04 -1.26 -0.27 113.70 110.13 1fun s SER 107 Ca 0.50 0.22 0.00 0.00 0.48 0.00 0.00 55.95 57.15 1fun s SER 107 Cb 0.40 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1fun s SER 107 CO 0.12 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1fun n GLY 108 N 0.32 -1.75 0.31 7.32 0.00 -1.26 -4.00 105.19 106.13 1fun n GLY 108 Ca -0.08 -1.46 0.06 0.00 0.00 0.00 0.00 46.02 44.54 1fun n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1fun h ASP 109 N 0.00 0.56 -0.40 1.61 3.32 -2.01 -1.06 116.42 118.44 1fun h ASP 109 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1fun h ASP 109 Cb 0.00 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1fun h ASP 109 CO 0.00 0.26 0.00 1.41 -1.72 0.00 0.00 179.24 179.19 1fun n HIS 110 N -4.84 1.22 -1.68 4.55 8.25 -1.26 -4.96 115.22 116.50 1fun n HIS 110 Ca 0.16 -0.44 -0.42 0.00 -0.26 0.00 0.00 57.72 56.76 1fun n HIS 110 Cb 0.39 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 1fun n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1fun s SER 111 N -0.62 6.43 0.00 0.41 0.15 -0.40 -2.77 113.70 116.90 1fun s SER 111 Ca 0.35 2.72 0.28 0.00 0.70 0.00 0.00 55.95 60.00 1fun s SER 111 Cb 0.25 -2.54 0.97 0.00 -1.71 0.00 0.00 66.02 62.98 1fun s SER 111 CO 0.13 -1.04 1.70 2.30 1.20 0.00 0.00 173.24 177.53 1fun n ILE 112 N 5.23 0.00 -2.23 6.45 -5.35 -0.69 -4.90 119.36 117.87 1fun n ILE 112 Ca 0.19 -0.27 -0.42 0.00 -0.27 0.00 0.00 62.75 61.98 1fun n ILE 112 Cb 0.40 0.58 -0.03 0.00 -1.74 0.00 0.00 39.64 38.85 1fun n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1fun s ILE 113 N -2.01 3.58 0.00 7.28 1.01 -1.26 -2.43 121.20 127.36 1fun s ILE 113 Ca 0.37 1.08 0.00 0.00 0.00 0.00 0.00 60.65 62.10 1fun s ILE 113 Cb 0.21 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.98 1fun s ILE 113 CO 0.34 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1fun n GLY 114 N 3.50 0.68 1.26 6.18 0.00 -0.38 -5.02 105.19 111.42 1fun n GLY 114 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 1fun n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fun n ARG 115 N -2.00 1.02 -4.68 1.61 1.74 -1.02 -2.76 116.66 110.58 1fun n ARG 115 Ca 0.00 -1.06 -0.33 0.00 -0.77 0.00 0.00 57.85 55.69 1fun n ARG 115 Cb 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.30 1fun n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1fun s THR 116 N -0.47 3.13 -0.10 0.55 2.01 -1.14 -0.07 115.64 119.55 1fun s THR 116 Ca 0.16 -0.63 -0.14 0.00 0.31 0.00 0.00 61.69 61.39 1fun s THR 116 Cb -0.01 -2.33 -0.05 0.00 0.01 0.00 0.00 72.50 70.12 1fun s THR 116 CO 0.10 0.52 0.34 -0.22 -0.69 0.00 0.00 174.62 174.66 1fun s LEU 117 N 0.44 4.34 -0.00 4.42 2.96 -0.02 0.08 118.68 130.89 1fun s LEU 117 Ca -0.09 0.69 0.05 0.00 -0.22 0.00 0.00 54.13 54.56 1fun s LEU 117 Cb -0.16 -2.45 -0.01 0.00 0.50 0.00 0.00 46.19 44.07 1fun s LEU 117 CO 0.05 0.19 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.41 1fun s VAL 118 N -0.16 1.29 -0.14 1.68 1.01 -0.05 -1.42 120.40 122.60 1fun s VAL 118 Ca 0.20 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 1fun s VAL 118 Cb -0.14 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1fun s VAL 118 CO 0.08 0.31 -0.09 0.54 0.00 0.00 0.00 175.10 175.94 1fun s VAL 119 N -0.46 3.45 0.46 2.92 0.11 0.02 -2.44 120.40 124.46 1fun s VAL 119 Ca 0.06 -0.52 0.04 0.00 -2.93 0.00 0.00 61.98 58.63 1fun s VAL 119 Cb -0.07 -2.48 0.02 0.00 -1.53 0.00 0.00 36.38 32.32 1fun s VAL 119 CO -0.00 0.51 0.65 -1.00 -3.33 0.00 0.00 175.10 171.93 1fun s HIS 120 N 0.33 2.92 -0.04 1.54 3.76 0.59 -0.45 115.29 123.94 1fun s HIS 120 Ca -0.07 -0.15 -0.22 0.00 -0.15 0.00 0.00 55.06 54.47 1fun s HIS 120 Cb -0.15 -2.47 -0.29 0.00 1.11 0.00 0.00 32.58 30.78 1fun s HIS 120 CO 0.04 -0.54 0.94 1.49 -0.85 0.00 0.00 174.74 175.83 1fun h GLU 121 N 0.42 0.29 -6.28 1.40 4.81 0.42 -3.38 114.58 112.27 1fun h GLU 121 Ca -0.42 -0.44 -0.46 0.00 -0.13 0.00 0.00 59.36 57.91 1fun h GLU 121 Cb 1.28 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.81 1fun h GLU 121 CO 0.50 1.17 -0.37 0.15 -0.73 0.00 0.00 179.01 179.74 1fun s LYS 122 N -2.64 3.44 0.40 1.92 1.02 0.11 -4.87 119.74 119.13 1fun s LYS 122 Ca -0.14 -0.66 -0.24 0.00 0.02 0.00 0.00 55.97 54.95 1fun s LYS 122 Cb 0.01 -2.83 -0.09 0.00 -0.52 0.00 0.00 37.83 34.40 1fun s LYS 122 CO 0.81 0.35 1.05 0.00 -0.92 0.00 0.00 175.35 176.64 1fun s ALA 123 N -2.07 3.07 -0.16 5.17 0.00 -1.25 -1.12 121.76 125.41 1fun s ALA 123 Ca 0.36 0.70 -0.29 0.00 0.00 0.00 0.00 51.96 52.72 1fun s ALA 123 Cb -0.09 -3.27 -0.00 0.00 0.00 0.00 0.00 23.12 19.75 1fun s ALA 123 CO 0.31 -0.22 1.06 0.34 0.00 0.00 0.00 175.76 177.25 1fun s ASP 124 N -1.59 7.13 0.00 0.00 -1.08 -1.26 -4.34 116.67 115.54 1fun s ASP 124 Ca 0.58 1.50 0.00 0.00 -0.52 0.00 0.00 52.55 54.12 1fun s ASP 124 Cb -0.22 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.70 1fun s ASP 124 CO 0.27 -0.59 0.79 -0.90 0.52 0.00 0.00 175.17 175.26 1fun n ASP 125 N 5.78 2.26 -3.18 -0.34 5.68 0.42 -4.79 116.55 122.37 1fun n ASP 125 Ca 0.11 -1.80 -0.21 0.00 -0.50 0.00 0.00 54.79 52.39 1fun n ASP 125 Cb 0.47 -0.45 -0.04 0.00 -1.14 0.00 0.00 41.12 39.95 1fun n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1fun n LEU 126 N 0.43 -0.45 0.00 -2.12 4.77 -1.26 -0.58 117.00 117.79 1fun n LEU 126 Ca 0.00 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1fun n LEU 126 Cb 0.39 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1fun n LEU 126 CO 0.00 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 1fun n GLY 127 N -1.02 1.19 0.00 -0.72 0.00 -1.26 -3.42 105.19 99.96 1fun n GLY 127 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1fun n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fun n LYS 128 N -1.12 0.65 0.09 1.61 4.76 0.26 -3.47 118.16 120.94 1fun n LYS 128 Ca 0.00 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.55 1fun n LYS 128 Cb 0.00 -1.04 0.44 0.00 -1.84 0.00 0.00 35.03 32.60 1fun n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1fun n GLY 129 N 0.16 -1.24 4.10 0.72 0.00 -1.18 -4.88 105.19 102.88 1fun n GLY 129 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1fun n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fun n GLY 130 N 0.10 1.42 3.73 -0.02 0.00 -1.23 -4.94 105.19 104.26 1fun n GLY 130 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1fun n GLY 130 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fun s ASN 131 N -2.74 6.94 0.37 1.61 3.84 -1.26 -4.87 114.94 118.83 1fun s ASN 131 Ca 0.00 2.28 0.12 0.00 0.21 0.00 0.00 52.86 55.47 1fun s ASN 131 Cb 0.00 -2.60 0.92 0.00 -0.55 0.00 0.00 41.25 39.03 1fun s ASN 131 CO 0.00 -0.53 1.84 -0.08 -2.79 0.00 0.00 177.10 175.54 1fun h GLU 132 N 6.09 0.56 -0.57 0.43 4.81 -1.99 0.92 114.58 124.83 1fun h GLU 132 Ca -0.43 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 58.67 1fun h GLU 132 Cb 1.21 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1fun h GLU 132 CO 0.81 0.37 -0.00 1.49 -0.73 0.00 0.00 179.01 180.94 1fun h GLU 133 N 0.58 1.01 -0.93 1.92 4.22 -1.99 -2.96 114.58 116.42 1fun h GLU 133 Ca 0.49 -0.32 0.17 0.00 0.08 0.00 0.00 59.36 59.78 1fun h GLU 133 Cb 0.98 -0.09 -0.10 0.00 0.50 0.00 0.00 28.75 30.04 1fun h GLU 133 CO -0.23 1.00 0.52 1.03 -2.18 0.00 0.00 179.01 179.15 1fun h SER 134 N 0.90 0.64 0.00 1.04 0.87 0.52 0.26 113.55 117.78 1fun h SER 134 Ca 0.16 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1fun h SER 134 Cb 0.55 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1fun h SER 134 CO 0.03 0.24 0.00 0.35 -0.53 0.00 0.00 176.83 176.92 1fun n THR 135 N -4.83 0.00 -0.02 2.23 -2.24 -0.85 -0.30 114.28 108.27 1fun n THR 135 Ca 0.20 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.93 1fun n THR 135 Cb 0.51 -0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 68.07 1fun n THR 135 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1fun n GLU 136 N -0.94 0.21 -0.00 -0.78 1.02 0.82 -1.83 120.64 119.13 1fun n GLU 136 Ca 0.12 0.09 0.04 0.00 -0.02 0.00 0.00 57.16 57.39 1fun n GLU 136 Cb 0.06 -0.86 -0.06 0.00 -0.02 0.00 0.00 31.44 30.56 1fun n GLU 136 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1fun n THR 137 N -3.76 0.00 -1.18 2.62 -2.24 -0.65 -4.74 114.28 104.33 1fun n THR 137 Ca -0.10 -0.24 -0.06 0.00 -2.27 0.00 0.00 64.05 61.38 1fun n THR 137 Cb 0.32 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 69.09 1fun n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fun n GLY 138 N 1.70 0.86 3.76 3.38 0.00 0.58 -3.50 105.19 111.97 1fun n GLY 138 Ca -0.00 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 1fun n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fun n ASN 139 N 0.62 -1.97 -0.75 1.61 3.02 -1.26 -0.44 115.26 116.09 1fun n ASN 139 Ca -0.06 -0.92 0.04 0.00 -0.03 0.00 0.00 54.58 53.60 1fun n ASN 139 Cb 0.23 -3.62 0.14 0.00 -0.61 0.00 0.00 39.78 35.92 1fun n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fun n ALA 140 N -4.26 2.72 -0.75 5.41 0.00 -1.23 -4.59 120.51 117.82 1fun n ALA 140 Ca -0.25 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.58 1fun n ALA 140 Cb 0.66 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1fun n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fun n GLY 141 N 0.63 -0.37 3.78 0.00 0.00 -1.26 0.06 105.19 108.03 1fun n GLY 141 Ca 0.10 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 1fun n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fun s SER 142 N -4.00 3.94 -0.55 1.61 1.04 -1.26 -4.52 113.70 109.95 1fun s SER 142 Ca 0.00 1.21 -0.22 0.00 0.48 0.00 0.00 55.95 57.41 1fun s SER 142 Cb 0.00 -1.88 0.05 0.00 0.10 0.00 0.00 66.02 64.29 1fun s SER 142 CO 0.00 -2.31 0.85 -0.13 0.98 0.00 0.00 173.24 172.63 1fun s ARG 143 N -5.16 3.24 0.17 4.02 0.52 -1.26 0.63 118.95 121.11 1fun s ARG 143 Ca 0.62 -0.53 -0.04 0.00 -0.52 0.00 0.00 55.73 55.26 1fun s ARG 143 Cb -0.15 -4.09 0.03 0.00 0.52 0.00 0.00 34.95 31.26 1fun s ARG 143 CO 0.54 -1.46 1.42 -0.07 0.02 0.00 0.00 175.30 175.76 1fun h LEU 144 N 10.65 0.59 -7.18 2.53 3.38 -1.04 -3.47 115.31 120.78 1fun h LEU 144 Ca -0.27 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.29 1fun h LEU 144 Cb 1.08 -0.17 -0.13 0.00 0.09 0.00 0.00 40.66 41.53 1fun h LEU 144 CO 1.07 1.12 0.08 0.00 0.09 0.00 0.00 178.44 180.79 1fun s ALA 145 N -3.71 -1.30 0.21 1.53 0.00 -1.15 -4.32 121.76 113.02 1fun s ALA 145 Ca -0.07 0.28 -0.23 0.00 0.00 0.00 0.00 51.96 51.94 1fun s ALA 145 Cb 0.10 0.77 0.05 0.00 0.00 0.00 0.00 23.12 24.03 1fun s ALA 145 CO 0.85 -0.70 0.75 0.00 0.00 0.00 0.00 175.76 176.67 1fun s GLY 147 N -2.85 -0.43 -0.08 0.00 0.00 -0.51 -1.84 107.32 101.61 1fun s GLY 147 Ca 0.09 1.97 -0.30 0.00 0.00 0.00 0.00 44.72 46.48 1fun s GLY 147 CO 0.00 1.44 1.09 0.14 0.00 0.00 0.00 173.10 175.78 1fun s VAL 148 N -0.31 4.54 0.06 1.40 1.01 -1.26 -0.84 120.40 125.00 1fun s VAL 148 Ca -0.03 1.84 -0.31 0.00 0.00 0.00 0.00 61.98 63.48 1fun s VAL 148 Cb -0.03 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.11 1fun s VAL 148 CO 0.02 0.00 1.33 -0.63 0.00 0.00 0.00 175.10 175.82 1fun s ILE 149 N 2.08 3.67 0.22 2.22 1.01 0.90 -4.66 121.20 126.64 1fun s ILE 149 Ca 0.52 1.16 0.05 0.00 0.00 0.00 0.00 60.65 62.38 1fun s ILE 149 Cb -0.21 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 1fun s ILE 149 CO 0.20 0.06 -0.05 -0.83 0.00 0.00 0.00 174.94 174.32 1fun s GLY 150 N 1.32 1.48 0.12 6.18 0.00 -0.33 -1.25 107.32 114.84 1fun s GLY 150 Ca 0.62 -1.72 -0.30 0.00 0.00 0.00 0.00 44.72 43.32 1fun s GLY 150 CO 0.29 -1.69 1.19 -0.42 0.00 0.00 0.00 173.10 172.46 1fun s ILE 151 N -3.29 3.84 0.24 0.90 1.01 -1.26 -0.07 121.20 122.57 1fun s ILE 151 Ca 0.25 1.43 0.10 0.00 0.00 0.00 0.00 60.65 62.43 1fun s ILE 151 Cb 0.04 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 1fun s ILE 151 CO 0.07 0.17 -0.17 0.00 0.00 0.00 0.00 174.94 175.01 1fun s ALA 152 N 0.49 2.38 -2.55 9.38 0.00 -0.96 -4.80 121.76 125.70 1fun s ALA 152 Ca 0.55 -1.77 0.28 0.00 0.00 0.00 0.00 51.96 51.02 1fun s ALA 152 Cb -0.31 -0.18 0.96 0.00 0.00 0.00 0.00 23.12 23.60 1fun s ALA 152 CO 0.33 0.18 1.69 0.94 0.00 0.00 0.00 175.76 178.90