#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 0.76 -4.25 0.00 -1.04 -1.26 -4.49 114.28 104.01 1fun n THR 2 Ca 0.00 -0.69 -0.14 0.00 -2.04 0.00 0.00 64.05 61.19 1fun n THR 2 Cb 0.00 -0.26 -0.10 0.00 -1.82 0.00 0.00 70.33 68.15 1fun n THR 2 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1fun s LYS 3 N -2.92 1.17 0.28 -2.82 2.20 -1.26 0.43 119.74 116.81 1fun s LYS 3 Ca -0.09 -1.58 -0.20 0.00 -0.36 0.00 0.00 55.97 53.74 1fun s LYS 3 Cb 0.09 -0.19 0.04 0.00 -1.51 0.00 0.00 37.83 36.26 1fun s LYS 3 CO 0.84 -0.19 0.82 0.00 -0.36 0.00 0.00 175.35 176.46 1fun s ALA 4 N -3.74 -1.19 -0.17 3.13 0.00 -1.21 -3.82 121.76 114.76 1fun s ALA 4 Ca 0.28 -0.37 -0.28 0.00 0.00 0.00 0.00 51.96 51.59 1fun s ALA 4 Cb 0.07 0.75 0.10 0.00 0.00 0.00 0.00 23.12 24.04 1fun s ALA 4 CO 0.06 -1.03 0.88 0.54 0.00 0.00 0.00 175.76 176.22 1fun s VAL 5 N -3.16 0.00 0.05 0.00 0.11 -0.80 -1.45 120.40 115.16 1fun s VAL 5 Ca 0.14 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.22 1fun s VAL 5 Cb -0.05 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.78 1fun s VAL 5 CO 0.07 0.00 -0.11 0.00 -3.33 0.00 0.00 175.10 171.73 1fun s ALA 6 N -0.61 0.92 -0.26 1.54 0.00 -0.63 -2.41 121.76 120.30 1fun s ALA 6 Ca -0.03 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.10 1fun s ALA 6 Cb -0.02 -0.06 0.06 0.00 0.00 0.00 0.00 23.12 23.11 1fun s ALA 6 CO 0.02 0.10 -0.07 0.08 0.00 0.00 0.00 175.76 175.90 1fun s VAL 7 N -1.19 1.87 -0.00 0.00 1.01 -1.26 -1.68 120.40 119.15 1fun s VAL 7 Ca -0.04 -1.51 -0.24 0.00 0.00 0.00 0.00 61.98 60.18 1fun s VAL 7 Cb -0.09 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 1fun s VAL 7 CO 0.01 -0.12 0.73 -0.76 0.00 0.00 0.00 175.10 174.96 1fun s LEU 8 N 1.22 4.40 -0.02 3.92 1.43 -0.05 -3.94 118.68 125.64 1fun s LEU 8 Ca -0.06 1.33 -0.07 0.00 -1.03 0.00 0.00 54.13 54.31 1fun s LEU 8 Cb -0.19 -3.16 0.01 0.00 0.03 0.00 0.00 46.19 42.88 1fun s LEU 8 CO -0.06 -0.03 0.14 -0.54 0.23 0.00 0.00 176.35 176.09 1fun s LYS 9 N 0.27 0.38 0.18 1.70 1.02 -0.23 -2.41 119.74 120.66 1fun s LYS 9 Ca 0.38 -0.18 -0.02 0.00 0.02 0.00 0.00 55.97 56.17 1fun s LYS 9 Cb -0.19 0.16 0.01 0.00 -0.52 0.00 0.00 37.83 37.29 1fun s LYS 9 CO 0.21 -0.08 0.27 0.41 -0.92 0.00 0.00 175.35 175.24 1fun n GLY 10 N 1.99 2.46 1.43 -3.33 0.00 -1.25 -1.44 105.19 105.04 1fun n GLY 10 Ca -0.19 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1fun n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fun n ASP 11 N -1.79 4.43 -2.93 1.61 9.92 -1.26 -4.78 116.55 121.75 1fun n ASP 11 Ca -0.00 -2.19 -0.07 0.00 -0.53 0.00 0.00 54.79 52.00 1fun n ASP 11 Cb 0.30 -0.91 0.03 0.00 -0.64 0.00 0.00 41.12 39.90 1fun n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1fun n GLY 12 N 1.34 0.86 0.29 0.44 0.00 -1.26 -5.05 105.19 101.82 1fun n GLY 12 Ca 0.00 -1.22 0.15 0.00 0.00 0.00 0.00 46.02 44.96 1fun n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fun h PRO 13 N 0.00 0.00 -6.45 1.61 0.13 -1.89 -3.44 132.00 121.96 1fun h PRO 13 Ca -0.31 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.21 1fun h PRO 13 Cb 1.20 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.40 1fun h PRO 13 CO 0.40 0.02 0.58 0.28 -0.23 0.00 0.00 178.00 179.05 1fun n VAL 14 N -3.76 0.42 -3.59 1.56 0.31 -1.24 -4.53 118.33 107.50 1fun n VAL 14 Ca -0.03 -0.10 -0.08 0.00 -0.01 0.00 0.00 64.34 64.12 1fun n VAL 14 Cb 0.11 -1.25 -0.04 0.00 -0.91 0.00 0.00 33.84 31.75 1fun n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fun s GLN 15 N 0.23 0.45 0.00 5.55 -2.07 -0.65 -3.92 119.66 119.25 1fun s GLN 15 Ca 0.76 0.07 0.00 0.00 -1.82 0.00 0.00 55.36 54.37 1fun s GLN 15 Cb -0.76 0.21 0.00 0.00 -1.09 0.00 0.00 33.01 31.37 1fun s GLN 15 CO 0.46 -0.15 0.00 0.41 -1.32 0.00 0.00 175.29 174.68 1fun n GLY 16 N 0.56 0.04 3.28 2.60 0.00 -1.01 -0.62 105.19 110.04 1fun n GLY 16 Ca -0.07 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 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 2.35 -0.27 -0.61 1.01 -0.58 -0.87 121.20 120.23 1fun s ILE 17 Ca 0.00 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.74 1fun s ILE 17 Cb 0.00 -1.92 0.07 0.00 0.01 0.00 0.00 42.46 40.63 1fun s ILE 17 CO 0.00 0.55 -0.02 -0.63 0.00 0.00 0.00 174.94 174.85 1fun s ILE 18 N 0.22 1.72 0.33 2.92 -1.09 -0.68 -1.12 121.20 123.51 1fun s ILE 18 Ca -0.13 -1.57 -0.13 0.00 -2.23 0.00 0.00 60.65 56.58 1fun s ILE 18 Cb -0.17 -2.06 -0.08 0.00 -1.58 0.00 0.00 42.46 38.57 1fun s ILE 18 CO 0.07 -0.28 0.73 0.20 -1.23 0.00 0.00 174.94 174.43 1fun s ASN 19 N 1.26 6.70 0.32 3.58 0.01 0.11 -1.61 114.94 125.31 1fun s ASN 19 Ca -0.00 1.21 0.06 0.00 -0.71 0.00 0.00 52.86 53.42 1fun s ASN 19 Cb -0.19 -2.35 -0.06 0.00 0.41 0.00 0.00 41.25 39.06 1fun s ASN 19 CO -0.09 -0.24 -0.03 -0.36 -1.51 0.00 0.00 177.10 174.88 1fun s PHE 20 N -2.06 2.09 -0.29 2.20 0.40 -0.53 -2.29 117.98 117.50 1fun s PHE 20 Ca 0.53 -0.73 -0.16 0.00 -0.60 0.00 0.00 56.93 55.97 1fun s PHE 20 Cb -0.10 -1.28 0.16 0.00 0.51 0.00 0.00 43.02 42.31 1fun s PHE 20 CO 0.21 0.28 1.04 -2.00 0.70 0.00 0.00 175.22 175.45 1fun s GLU 21 N -3.75 0.29 -0.32 0.44 2.12 -1.25 -3.29 118.70 112.93 1fun s GLU 21 Ca 0.32 0.55 -0.01 0.00 0.36 0.00 0.00 54.97 56.19 1fun s GLU 21 Cb 0.06 0.15 0.13 0.00 0.26 0.00 0.00 34.13 34.72 1fun s GLU 21 CO 0.14 -0.07 0.23 -1.14 -0.54 0.00 0.00 175.26 173.88 1fun s GLN 22 N 1.59 0.40 0.00 4.30 0.74 0.17 -0.95 119.66 125.92 1fun s GLN 22 Ca -0.07 -0.76 0.00 0.00 0.05 0.00 0.00 55.36 54.58 1fun s GLN 22 Cb -0.04 -1.02 0.00 0.00 1.10 0.00 0.00 33.01 33.05 1fun s GLN 22 CO -0.15 -1.11 0.85 1.63 -0.55 0.00 0.00 175.29 175.96 1fun n LYS 23 N 4.71 0.00 -1.83 1.67 4.76 -1.26 -4.50 118.16 121.71 1fun n LYS 23 Ca 0.03 0.38 -0.38 0.00 -2.87 0.00 0.00 58.31 55.47 1fun n LYS 23 Cb 0.42 -1.36 0.04 0.00 -1.84 0.00 0.00 35.03 32.28 1fun n LYS 23 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1fun s GLU 24 N -2.46 3.17 0.30 1.97 0.41 -1.26 -4.86 118.70 115.97 1fun s GLU 24 Ca 0.00 2.18 -0.01 0.00 -0.41 0.00 0.00 54.97 56.73 1fun s GLU 24 Cb 0.00 -2.25 0.47 0.00 -1.78 0.00 0.00 34.13 30.57 1fun s GLU 24 CO 0.00 -1.15 1.91 0.66 -0.49 0.00 0.00 175.26 176.20 1fun h SER 25 N 1.47 0.82 -0.84 -0.19 4.64 -1.97 -0.41 113.55 117.07 1fun h SER 25 Ca -0.51 -0.08 -0.47 0.00 -0.47 0.00 0.00 61.79 60.27 1fun h SER 25 Cb 1.30 -0.21 -0.26 0.00 -0.31 0.00 0.00 62.40 62.91 1fun h SER 25 CO 0.57 0.69 0.46 -3.20 -0.87 0.00 0.00 176.83 174.48 1fun n ASN 26 N -4.36 4.14 -4.99 4.97 5.15 -1.26 -4.89 115.26 114.02 1fun n ASN 26 Ca 0.06 -3.69 -0.19 0.00 -0.60 0.00 0.00 54.58 50.16 1fun n ASN 26 Cb 0.12 -0.80 0.00 0.00 -0.53 0.00 0.00 39.78 38.58 1fun n ASN 26 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1fun s GLY 27 N -1.77 1.67 0.32 8.20 0.00 -0.17 -5.08 107.32 110.51 1fun s GLY 27 Ca 0.55 -1.46 -0.27 0.00 0.00 0.00 0.00 44.72 43.53 1fun s GLY 27 CO 0.06 -1.34 1.07 2.56 0.00 0.00 0.00 173.10 175.45 1fun s PRO 28 N -4.26 4.48 -0.01 2.90 0.04 -1.26 -4.83 135.00 132.04 1fun s PRO 28 Ca 0.48 1.68 -0.13 0.00 0.04 0.00 0.00 61.00 63.07 1fun s PRO 28 Cb -0.10 -2.95 -0.05 0.00 0.04 0.00 0.00 34.50 31.43 1fun s PRO 28 CO 0.32 0.10 0.36 0.08 0.04 0.00 0.00 177.00 177.91 1fun s VAL 29 N -1.35 5.11 -0.48 -0.36 1.01 0.28 -4.47 120.40 120.15 1fun s VAL 29 Ca 0.49 0.70 -0.13 0.00 0.00 0.00 0.00 61.98 63.04 1fun s VAL 29 Cb -0.28 -3.66 0.10 0.00 0.00 0.00 0.00 36.38 32.54 1fun s VAL 29 CO 0.36 0.56 0.38 -0.75 0.00 0.00 0.00 175.10 175.64 1fun s LYS 30 N -1.16 2.78 -0.80 2.72 2.47 -0.12 -0.47 119.74 125.16 1fun s LYS 30 Ca 0.23 -1.56 -0.24 0.00 -1.56 0.00 0.00 55.97 52.85 1fun s LYS 30 Cb -0.16 -4.05 0.06 0.00 -1.46 0.00 0.00 37.83 32.23 1fun s LYS 30 CO 0.12 -1.12 1.20 0.08 0.16 0.00 0.00 175.35 175.79 1fun s VAL 31 N 1.52 4.08 0.16 4.02 1.01 0.22 -3.84 120.40 127.57 1fun s VAL 31 Ca 0.04 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 61.77 1fun s VAL 31 Cb -0.26 -4.86 -0.04 0.00 0.00 0.00 0.00 36.38 31.22 1fun s VAL 31 CO 0.03 -1.71 -0.20 -1.66 0.00 0.00 0.00 175.10 171.57 1fun s TRP 32 N 4.66 1.89 -4.36 5.22 -2.14 -0.97 0.04 118.94 123.27 1fun s TRP 32 Ca 0.33 -0.44 0.00 0.00 2.66 0.00 0.00 56.10 58.65 1fun s TRP 32 Cb -0.09 -0.96 0.00 0.00 -3.10 0.00 0.00 33.47 29.33 1fun s TRP 32 CO 0.05 0.33 0.00 0.41 -2.66 0.00 0.00 176.95 175.08 1fun n GLY 33 N 0.45 -0.52 3.32 3.67 0.00 -0.93 0.05 105.19 111.23 1fun n GLY 33 Ca -0.14 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 1fun n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fun s SER 34 N -4.00 -0.25 0.03 1.61 0.15 -0.28 -2.90 113.70 108.06 1fun s SER 34 Ca 0.00 -0.27 -0.10 0.00 0.70 0.00 0.00 55.95 56.28 1fun s SER 34 Cb 0.00 0.47 0.01 0.00 -1.71 0.00 0.00 66.02 64.79 1fun s SER 34 CO 0.00 -0.84 0.20 -0.63 1.20 0.00 0.00 173.24 173.17 1fun s ILE 35 N -3.66 0.10 0.05 6.45 1.01 0.06 -1.52 121.20 123.69 1fun s ILE 35 Ca 0.02 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.83 1fun s ILE 35 Cb 0.01 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.63 1fun s ILE 35 CO -0.11 -0.46 -0.02 -0.54 0.00 0.00 0.00 174.94 173.81 1fun s LYS 36 N -2.29 0.60 0.00 2.79 3.01 0.21 -1.67 119.74 122.39 1fun s LYS 36 Ca -0.07 -1.18 0.00 0.00 -1.01 0.00 0.00 55.97 53.71 1fun s LYS 36 Cb -0.02 0.21 0.00 0.00 -1.01 0.00 0.00 37.83 37.00 1fun s LYS 36 CO -0.02 -0.11 0.00 0.41 0.51 0.00 0.00 175.35 176.14 1fun n GLY 37 N 0.18 0.71 3.90 -3.33 0.00 -1.13 -1.64 105.19 103.88 1fun n GLY 37 Ca -0.15 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 3.92 0.00 0.99 1.43 -0.82 -4.27 118.68 119.93 1fun s LEU 38 Ca 0.00 0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 53.83 1fun s LEU 38 Cb 0.00 -3.71 0.17 0.00 0.03 0.00 0.00 46.19 42.68 1fun s LEU 38 CO 0.00 -0.32 1.00 0.35 0.23 0.00 0.00 176.35 177.61 1fun n THR 39 N -1.32 0.00 -2.59 5.49 -2.24 -1.26 -3.94 114.28 108.42 1fun n THR 39 Ca -0.00 -0.77 -0.41 0.00 -2.27 0.00 0.00 64.05 60.60 1fun n THR 39 Cb 0.54 -1.60 -0.04 0.00 -2.10 0.00 0.00 70.33 67.14 1fun n THR 39 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1fun s GLU 40 N -5.18 4.59 0.00 -0.78 2.12 -1.26 -4.50 118.70 113.69 1fun s GLU 40 Ca 0.57 1.61 0.00 0.00 0.36 0.00 0.00 54.97 57.51 1fun s GLU 40 Cb -0.02 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 31.03 1fun s GLU 40 CO 0.40 0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.57 1fun n GLY 41 N 2.43 0.69 3.91 -1.50 0.00 -0.76 -4.94 105.19 105.01 1fun n GLY 41 Ca 0.04 -2.14 -0.31 0.00 0.00 0.00 0.00 46.02 43.61 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 4.30 -0.05 0.99 1.43 -1.26 -0.10 118.68 123.98 1fun s LEU 42 Ca 0.00 0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 53.56 1fun s LEU 42 Cb 0.00 -3.19 0.04 0.00 0.03 0.00 0.00 46.19 43.07 1fun s LEU 42 CO 0.00 0.09 0.09 -1.00 0.23 0.00 0.00 176.35 175.76 1fun s HIS 43 N -1.62 -0.06 0.54 0.29 3.76 -0.80 -3.35 115.29 114.04 1fun s HIS 43 Ca 0.39 0.33 -0.20 0.00 -0.15 0.00 0.00 55.06 55.43 1fun s HIS 43 Cb -0.12 -0.22 -0.08 0.00 1.11 0.00 0.00 32.58 33.27 1fun s HIS 43 CO 0.26 -0.15 0.81 0.41 -0.85 0.00 0.00 174.74 175.22 1fun n GLY 44 N 4.49 -0.73 2.77 -2.22 0.00 0.33 -2.27 105.19 107.57 1fun n GLY 44 Ca -0.21 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.52 -0.48 0.20 1.61 5.36 -0.17 -0.36 117.98 122.62 1fun s PHE 45 Ca 0.70 -0.02 -0.02 0.00 -0.96 0.00 0.00 56.93 56.63 1fun s PHE 45 Cb -0.47 -0.40 -0.04 0.00 -0.34 0.00 0.00 43.02 41.77 1fun s PHE 45 CO 0.52 -0.86 0.16 -1.01 -1.46 0.00 0.00 175.22 172.58 1fun s HIS 46 N 2.37 1.09 -0.38 10.12 0.09 -0.83 -2.37 115.29 125.39 1fun s HIS 46 Ca 0.09 -1.32 -0.14 0.00 -0.00 0.00 0.00 55.06 53.69 1fun s HIS 46 Cb -0.14 -0.49 0.00 0.00 -0.00 0.00 0.00 32.58 31.95 1fun s HIS 46 CO -0.28 -0.67 0.29 0.08 -0.00 0.00 0.00 174.74 174.16 1fun s VAL 47 N -4.14 5.25 0.67 -0.90 1.01 -0.30 -1.03 120.40 120.95 1fun s VAL 47 Ca 0.38 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.87 1fun s VAL 47 Cb 0.06 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.63 1fun s VAL 47 CO 0.12 -0.20 0.98 -1.00 0.00 0.00 0.00 175.10 175.00 1fun s HIS 48 N 1.76 3.02 0.08 5.22 3.76 0.76 -0.41 115.29 129.48 1fun s HIS 48 Ca 0.06 0.50 -0.25 0.00 -0.15 0.00 0.00 55.06 55.22 1fun s HIS 48 Cb -0.18 -3.04 -0.16 0.00 1.11 0.00 0.00 32.58 30.31 1fun s HIS 48 CO 0.11 -1.21 1.68 1.49 -0.85 0.00 0.00 174.74 175.95 1fun h GLU 49 N -0.45 -0.20 -6.39 1.40 4.81 -0.79 -3.23 114.58 109.72 1fun h GLU 49 Ca -0.45 0.01 -0.65 0.00 -0.13 0.00 0.00 59.36 58.15 1fun h GLU 49 Cb 1.30 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 30.60 1fun h GLU 49 CO 0.60 -0.10 -0.68 -0.06 -0.73 0.00 0.00 179.01 178.04 1fun s PHE 50 N -6.02 2.93 -0.53 0.92 0.08 0.31 -4.69 117.98 110.98 1fun s PHE 50 Ca -0.14 -0.06 -0.02 0.00 0.12 0.00 0.00 56.93 56.83 1fun s PHE 50 Cb 0.05 -1.51 0.33 0.00 -0.57 0.00 0.00 43.02 41.33 1fun s PHE 50 CO 0.65 0.47 2.07 0.41 -0.10 0.00 0.00 175.22 178.72 1fun n GLY 51 N 0.55 5.08 3.32 4.36 0.00 -1.18 -3.07 105.19 114.24 1fun n GLY 51 Ca -0.11 -1.82 -0.46 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.88 6.19 -0.39 1.61 -1.08 -1.26 -4.88 116.67 115.97 1fun s ASP 52 Ca 0.51 -1.75 0.06 0.00 -0.52 0.00 0.00 52.55 50.84 1fun s ASP 52 Cb 0.39 -2.22 0.56 0.00 -1.46 0.00 0.00 42.92 40.20 1fun s ASP 52 CO -0.04 -0.88 1.68 0.59 0.52 0.00 0.00 175.17 177.03 1fun n ASN 53 N 5.36 3.59 -0.02 -0.34 5.03 -1.26 -3.26 115.26 124.37 1fun n ASN 53 Ca -0.14 -3.73 -0.11 0.00 0.87 0.00 0.00 54.58 51.48 1fun n ASN 53 Cb 0.40 -0.73 -0.05 0.00 -1.02 0.00 0.00 39.78 38.38 1fun n ASN 53 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1fun h THR 54 N 1.06 1.08 -1.93 3.41 1.35 -1.93 -1.98 112.91 113.98 1fun h THR 54 Ca 0.43 -0.22 -0.74 0.00 -0.55 0.00 0.00 66.41 65.33 1fun h THR 54 Cb 2.03 0.99 -0.29 0.00 -1.73 0.00 0.00 68.15 69.15 1fun h THR 54 CO 0.80 0.07 0.79 0.00 -0.25 0.00 0.00 175.52 176.94 1fun n ALA 55 N -2.16 6.30 -0.90 6.62 0.00 -1.26 -5.03 120.51 124.08 1fun n ALA 55 Ca -0.05 -4.15 0.00 0.00 0.00 0.00 0.00 53.44 49.24 1fun n ALA 55 Cb 0.06 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 -0.53 1.27 0.23 0.00 0.00 -0.74 -2.88 105.19 102.54 1fun n GLY 56 Ca 0.52 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 0.39 0.00 0.00 2.02 -1.87 0.27 112.91 113.72 1fun h THR 58 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1fun h THR 58 Cb 0.41 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1fun h THR 58 CO 0.03 0.00 0.02 -1.54 0.37 0.00 0.00 175.52 174.39 1fun n SER 59 N -5.39 0.00 0.27 4.18 3.41 -1.14 -2.30 113.62 112.66 1fun n SER 59 Ca -0.06 0.37 0.15 0.00 -0.26 0.00 0.00 58.87 59.06 1fun n SER 59 Cb 0.30 -0.37 0.86 0.00 -0.26 0.00 0.00 64.21 64.74 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 1.90 1.65 0.00 7.33 0.00 -0.91 -3.40 119.26 125.83 1fun h ALA 60 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fun h ALA 60 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1fun h ALA 60 CO 0.00 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.60 1fun n GLY 61 N -1.37 -1.77 1.16 0.00 0.00 -0.97 -0.53 105.19 101.71 1fun n GLY 61 Ca -0.02 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 1fun n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fun n PRO 62 N 0.00 -0.47 -2.52 1.61 -0.04 -1.26 -4.64 135.00 127.68 1fun n PRO 62 Ca 0.00 -0.62 -0.39 0.00 -0.04 0.00 0.00 63.50 62.46 1fun n PRO 62 Cb 0.00 -0.42 -0.04 0.00 -0.04 0.00 0.00 33.50 33.00 1fun n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1fun s HIS 63 N -1.87 3.47 -0.07 0.54 3.76 -1.26 -0.64 115.29 119.22 1fun s HIS 63 Ca 0.23 1.69 -0.31 0.00 -0.15 0.00 0.00 55.06 56.52 1fun s HIS 63 Cb -0.01 -3.19 -0.09 0.00 1.11 0.00 0.00 32.58 30.40 1fun s HIS 63 CO 0.16 -0.51 2.03 0.34 -0.85 0.00 0.00 174.74 175.91 1fun n PHE 64 N 0.66 2.30 -3.06 1.40 7.35 0.45 -4.41 117.46 122.15 1fun n PHE 64 Ca 0.01 -0.21 -0.17 0.00 -0.76 0.00 0.00 57.45 56.32 1fun n PHE 64 Cb 0.47 -2.74 -0.02 0.00 0.35 0.00 0.00 39.48 37.54 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 8.45 -0.37 0.29 -2.13 5.15 -1.26 -1.74 115.26 123.64 1fun n ASN 65 Ca 0.24 -3.04 0.19 0.00 -0.60 0.00 0.00 54.58 51.37 1fun n ASN 65 Cb 0.38 0.08 0.98 0.00 -0.53 0.00 0.00 39.78 40.69 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 3.49 0.00 -0.73 1.20 0.13 -1.94 -2.58 132.00 131.57 1fun h PRO 66 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1fun h PRO 66 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1fun h PRO 66 CO 0.41 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.46 1fun n LEU 67 N -3.37 4.01 -2.97 1.56 4.77 -1.26 -4.97 117.00 114.77 1fun n LEU 67 Ca -0.01 -2.03 -0.22 0.00 -0.03 0.00 0.00 56.01 53.72 1fun n LEU 67 Cb 0.22 -0.49 0.04 0.00 -2.33 0.00 0.00 43.42 40.85 1fun n LEU 67 CO 0.22 0.98 0.02 -1.20 -1.33 0.00 0.00 177.39 176.07 1fun n SER 68 N 1.60 -6.04 -4.92 -1.43 7.64 -0.97 -5.00 113.62 104.50 1fun n SER 68 Ca 0.25 -0.30 -0.20 0.00 1.01 0.00 0.00 58.87 59.62 1fun n SER 68 Cb 0.64 -4.84 0.06 0.00 -1.01 0.00 0.00 64.21 59.05 1fun n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1fun s ARG 69 N -5.71 2.30 0.75 1.43 0.52 -1.26 -5.11 118.95 111.87 1fun s ARG 69 Ca 0.32 -1.21 -0.08 0.00 -0.52 0.00 0.00 55.73 54.24 1fun s ARG 69 Cb -0.14 -2.55 0.08 0.00 0.52 0.00 0.00 34.95 32.87 1fun s ARG 69 CO 0.39 -0.86 1.07 0.15 0.02 0.00 0.00 175.30 176.07 1fun s LYS 70 N -4.75 1.94 0.36 3.54 1.02 -1.26 -4.80 119.74 115.79 1fun s LYS 70 Ca 0.61 -0.29 -0.19 0.00 0.02 0.00 0.00 55.97 56.11 1fun s LYS 70 Cb -0.08 -2.12 -0.10 0.00 -0.52 0.00 0.00 37.83 35.02 1fun s LYS 70 CO 0.39 -1.44 0.85 -1.58 -0.92 0.00 0.00 175.35 172.65 1fun s HIS 71 N -3.36 3.40 0.24 3.18 5.65 -0.69 -3.16 115.29 120.56 1fun s HIS 71 Ca 0.62 1.46 -0.17 0.00 0.25 0.00 0.00 55.06 57.23 1fun s HIS 71 Cb -0.10 -2.72 0.06 0.00 -1.18 0.00 0.00 32.58 28.65 1fun s HIS 71 CO 0.46 0.03 0.86 0.41 -0.65 0.00 0.00 174.74 175.85 1fun n GLY 72 N -0.32 0.82 3.88 1.59 0.00 -1.26 -4.43 105.19 105.48 1fun n GLY 72 Ca 0.04 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.15 1.62 0.53 -0.02 0.00 -1.13 -4.76 107.32 100.42 1fun s GLY 73 Ca 0.18 -0.72 0.21 0.00 0.00 0.00 0.00 44.72 44.40 1fun s GLY 73 CO 0.07 -0.17 2.09 -0.56 0.00 0.00 0.00 173.10 174.54 1fun h PRO 74 N -1.24 0.00 -0.06 2.90 0.13 -1.85 -2.54 132.00 129.35 1fun h PRO 74 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1fun h PRO 74 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1fun h PRO 74 CO 0.61 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.01 1fun n LYS 75 N -4.38 1.71 -3.02 0.86 4.01 -1.26 -4.95 118.16 111.13 1fun n LYS 75 Ca 0.02 -1.04 -0.34 0.00 -0.51 0.00 0.00 58.31 56.45 1fun n LYS 75 Cb 0.30 -1.46 -0.06 0.00 -0.51 0.00 0.00 35.03 33.30 1fun n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1fun s ASP 76 N -1.89 6.91 0.07 4.39 1.11 -0.96 -4.96 116.67 121.34 1fun s ASP 76 Ca 0.36 1.45 -0.24 0.00 0.18 0.00 0.00 52.55 54.30 1fun s ASP 76 Cb 0.20 -2.44 -0.16 0.00 1.07 0.00 0.00 42.92 41.59 1fun s ASP 76 CO 0.32 -0.19 1.63 -0.33 1.18 0.00 0.00 175.17 177.78 1fun h GLU 77 N 2.45 -0.09 -5.61 8.23 5.08 -1.92 -3.38 114.58 119.34 1fun h GLU 77 Ca -0.48 0.01 -0.64 0.00 -1.00 0.00 0.00 59.36 57.25 1fun h GLU 77 Cb 1.18 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 30.31 1fun h GLU 77 CO 0.64 0.03 0.25 -2.00 -1.00 0.00 0.00 179.01 176.93 1fun s GLU 78 N -5.79 3.38 0.18 2.33 2.56 -1.26 -4.97 118.70 115.12 1fun s GLU 78 Ca -0.14 -0.20 -0.24 0.00 0.00 0.00 0.00 54.97 54.39 1fun s GLU 78 Cb 0.05 -3.93 0.06 0.00 2.00 0.00 0.00 34.13 32.30 1fun s GLU 78 CO 0.65 -1.04 0.93 -0.98 -0.56 0.00 0.00 175.26 174.26 1fun s ARG 79 N 3.05 1.30 0.30 4.30 1.70 -1.19 -3.98 118.95 124.43 1fun s ARG 79 Ca 0.27 -0.73 -0.11 0.00 -0.47 0.00 0.00 55.73 54.68 1fun s ARG 79 Cb -0.13 0.44 -0.08 0.00 -0.57 0.00 0.00 34.95 34.61 1fun s ARG 79 CO 0.21 -0.60 0.65 -1.01 -1.08 0.00 0.00 175.30 173.47 1fun s HIS 80 N -3.33 3.42 0.59 5.89 3.76 -1.19 -4.64 115.29 119.78 1fun s HIS 80 Ca 0.12 1.01 0.29 0.00 -0.15 0.00 0.00 55.06 56.33 1fun s HIS 80 Cb -0.02 -2.38 1.66 0.00 1.11 0.00 0.00 32.58 32.96 1fun s HIS 80 CO 0.03 0.14 2.11 0.28 -0.85 0.00 0.00 174.74 176.45 1fun h VAL 81 N 1.79 0.48 -0.00 -0.90 2.07 -1.87 -1.71 116.25 116.11 1fun h VAL 81 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1fun h VAL 81 Cb 1.18 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1fun h VAL 81 CO 0.67 0.00 -0.30 0.61 0.02 0.00 0.00 177.57 178.57 1fun n GLY 82 N -1.40 -0.91 3.55 2.17 0.00 -0.71 -4.17 105.19 103.72 1fun n GLY 82 Ca 0.01 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.68 5.32 0.00 1.61 1.01 -0.64 -1.14 116.67 120.14 1fun s ASP 83 Ca 0.20 -0.08 0.22 0.00 0.71 0.00 0.00 52.55 53.61 1fun s ASP 83 Cb 0.19 -2.54 0.55 0.00 1.01 0.00 0.00 42.92 42.13 1fun s ASP 83 CO 0.57 -2.44 1.46 0.18 0.21 0.00 0.00 175.17 175.15 1fun n LEU 84 N 12.83 2.66 0.00 1.23 4.77 -1.00 -3.92 117.00 133.58 1fun n LEU 84 Ca 0.26 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.11 1fun n LEU 84 Cb 0.50 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1fun n LEU 84 CO 0.67 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 1fun n GLY 85 N 1.34 0.51 3.40 -0.72 0.00 -1.21 -4.71 105.19 103.79 1fun n GLY 85 Ca 0.18 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 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 2.91 -0.02 1.61 0.01 -1.26 -1.00 114.94 113.18 1fun s ASN 86 Ca 0.00 -1.06 0.03 0.00 -0.71 0.00 0.00 52.86 51.12 1fun s ASN 86 Cb 0.00 -0.19 -0.00 0.00 0.41 0.00 0.00 41.25 41.47 1fun s ASN 86 CO 0.00 -0.15 -0.11 0.68 -1.51 0.00 0.00 177.10 176.01 1fun s VAL 87 N -2.85 0.90 -0.01 1.60 -7.23 -0.96 -4.91 120.40 106.95 1fun s VAL 87 Ca 0.26 -0.44 -0.16 0.00 -1.81 0.00 0.00 61.98 59.84 1fun s VAL 87 Cb -0.01 -0.79 -0.06 0.00 0.56 0.00 0.00 36.38 36.09 1fun s VAL 87 CO 0.10 0.27 0.43 -0.89 -0.31 0.00 0.00 175.10 174.71 1fun s THR 88 N 0.08 5.01 -0.19 5.32 2.01 -1.26 -1.91 115.64 124.70 1fun s THR 88 Ca -0.02 0.89 -0.03 0.00 0.31 0.00 0.00 61.69 62.85 1fun s THR 88 Cb -0.08 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 1fun s THR 88 CO 0.01 0.55 -0.06 0.00 -0.69 0.00 0.00 174.62 174.42 1fun s ALA 89 N -0.87 2.81 1.18 7.40 0.00 0.85 -3.98 121.76 129.15 1fun s ALA 89 Ca 0.24 -1.04 -0.16 0.00 0.00 0.00 0.00 51.96 51.01 1fun s ALA 89 Cb -0.17 -1.57 0.27 0.00 0.00 0.00 0.00 23.12 21.65 1fun s ALA 89 CO 0.14 -0.15 1.05 0.16 0.00 0.00 0.00 175.76 176.96 1fun s ASP 90 N 1.01 1.04 0.40 0.00 1.47 -1.16 -1.83 116.67 117.60 1fun s ASP 90 Ca 0.00 1.03 0.23 0.00 1.18 0.00 0.00 52.55 54.99 1fun s ASP 90 Cb -0.15 -1.56 1.31 0.00 -0.34 0.00 0.00 42.92 42.19 1fun s ASP 90 CO 0.00 -4.09 1.63 0.50 0.68 0.00 0.00 175.17 173.89 1fun h LYS 91 N -2.55 0.13 -1.29 2.11 1.63 -1.94 0.90 116.57 115.56 1fun h LYS 91 Ca -0.52 -0.01 -0.70 0.00 -0.85 0.00 0.00 60.65 58.57 1fun h LYS 91 Cb 1.33 -0.03 -0.29 0.00 -0.60 0.00 0.00 32.23 32.64 1fun h LYS 91 CO 0.45 0.09 0.88 -0.25 -3.45 0.00 0.00 179.45 177.16 1fun n ASP 92 N -4.92 7.57 -0.99 4.20 8.00 -1.26 -4.82 116.55 124.33 1fun n ASP 92 Ca 0.36 -3.80 -0.02 0.00 0.71 0.00 0.00 54.79 52.03 1fun n ASP 92 Cb 1.26 -0.98 -0.01 0.00 -0.02 0.00 0.00 41.12 41.37 1fun n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fun n GLY 93 N -0.80 0.22 3.43 0.44 0.00 0.31 -4.80 105.19 103.99 1fun n GLY 93 Ca 0.60 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.12 5.18 -0.05 1.61 1.01 -1.25 -1.95 120.40 123.83 1fun s VAL 94 Ca 0.00 -0.76 -0.26 0.00 0.00 0.00 0.00 61.98 60.97 1fun s VAL 94 Cb 0.00 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1fun s VAL 94 CO 0.00 -0.49 0.80 0.00 0.00 0.00 0.00 175.10 175.41 1fun s ALA 95 N 1.84 3.28 -0.88 5.51 0.00 -0.67 -2.98 121.76 127.87 1fun s ALA 95 Ca 0.07 0.27 -0.00 0.00 0.00 0.00 0.00 51.96 52.30 1fun s ALA 95 Cb -0.21 -3.10 0.26 0.00 0.00 0.00 0.00 23.12 20.07 1fun s ALA 95 CO 0.09 -0.17 1.00 -0.25 0.00 0.00 0.00 175.76 176.44 1fun n ASP 96 N 3.88 4.80 -4.59 0.00 8.00 -1.26 -0.76 116.55 126.63 1fun n ASP 96 Ca 0.02 -3.32 -0.43 0.00 0.71 0.00 0.00 54.79 51.76 1fun n ASP 96 Cb 0.51 -1.00 -0.00 0.00 -0.02 0.00 0.00 41.12 40.61 1fun n ASP 96 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1fun n VAL 97 N 1.52 2.19 -3.29 2.53 0.31 -1.14 -4.88 118.33 115.56 1fun n VAL 97 Ca 0.26 -0.50 0.03 0.00 -0.01 0.00 0.00 64.34 64.12 1fun n VAL 97 Cb 0.37 -1.06 -0.02 0.00 -0.91 0.00 0.00 33.84 32.22 1fun n VAL 97 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1fun s SER 98 N -0.67 -0.95 0.09 4.52 0.15 -1.21 -2.20 113.70 113.43 1fun s SER 98 Ca 0.61 0.83 -0.10 0.00 0.70 0.00 0.00 55.95 58.00 1fun s SER 98 Cb -0.62 1.89 0.00 0.00 -1.71 0.00 0.00 66.02 65.59 1fun s SER 98 CO 0.58 -0.18 0.22 -0.63 1.20 0.00 0.00 173.24 174.43 1fun s ILE 99 N 2.81 0.13 -0.04 6.45 1.01 0.11 -4.99 121.20 126.67 1fun s ILE 99 Ca 0.06 -1.08 -0.00 0.00 0.00 0.00 0.00 60.65 59.62 1fun s ILE 99 Cb -0.11 -1.29 0.03 0.00 0.01 0.00 0.00 42.46 41.10 1fun s ILE 99 CO -0.17 -0.60 -0.00 -0.70 0.00 0.00 0.00 174.94 173.46 1fun s GLU 100 N -3.75 0.46 0.06 2.79 2.12 -1.26 0.72 118.70 119.84 1fun s GLU 100 Ca 0.04 0.07 -0.00 0.00 0.36 0.00 0.00 54.97 55.44 1fun s GLU 100 Cb 0.04 -0.68 -0.04 0.00 0.26 0.00 0.00 34.13 33.72 1fun s GLU 100 CO -0.11 -0.18 -0.04 0.34 -0.54 0.00 0.00 175.26 174.73 1fun s ASP 101 N 1.31 0.69 -0.33 -1.70 2.15 0.38 -4.96 116.67 114.21 1fun s ASP 101 Ca -0.05 -0.97 0.17 0.00 0.43 0.00 0.00 52.55 52.12 1fun s ASP 101 Cb -0.13 0.16 0.45 0.00 -0.30 0.00 0.00 42.92 43.10 1fun s ASP 101 CO -0.02 -0.54 1.07 -1.54 -0.17 0.00 0.00 175.17 173.97 1fun n SER 102 N 0.15 0.71 0.00 -0.34 3.41 -1.26 0.10 113.62 116.39 1fun n SER 102 Ca -0.14 -2.56 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 1fun n SER 102 Cb 0.61 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1fun n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1fun n VAL 103 N -0.29 0.00 -1.66 -3.33 0.31 -1.26 -4.99 118.33 107.11 1fun n VAL 103 Ca 0.05 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.05 1fun n VAL 103 Cb 0.83 -0.68 0.06 0.00 -0.91 0.00 0.00 33.84 33.14 1fun n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1fun s ILE 104 N -1.95 2.88 0.13 2.52 -4.36 -1.26 -4.86 121.20 114.31 1fun s ILE 104 Ca 0.00 0.43 -0.08 0.00 -0.26 0.00 0.00 60.65 60.74 1fun s ILE 104 Cb 0.00 -2.97 -0.01 0.00 1.25 0.00 0.00 42.46 40.74 1fun s ILE 104 CO 0.00 -0.24 0.23 -0.55 0.24 0.00 0.00 174.94 174.62 1fun s SER 105 N -2.32 0.10 -0.00 4.36 0.15 -0.74 -4.67 113.70 110.57 1fun s SER 105 Ca 0.70 -0.81 0.17 0.00 0.70 0.00 0.00 55.95 56.72 1fun s SER 105 Cb -0.24 0.38 0.50 0.00 -1.71 0.00 0.00 66.02 64.96 1fun s SER 105 CO 0.42 -0.81 1.42 0.18 1.20 0.00 0.00 173.24 175.65 1fun n LEU 106 N -0.14 3.55 0.00 3.45 4.77 -1.26 -0.35 117.00 127.01 1fun n LEU 106 Ca -0.10 -2.02 -0.06 0.00 -0.03 0.00 0.00 56.01 53.79 1fun n LEU 106 Cb 0.63 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1fun n LEU 106 CO 0.24 0.87 0.23 -1.20 -1.33 0.00 0.00 177.39 176.20 1fun n SER 107 N 1.13 -1.13 0.00 -1.43 7.64 -1.26 0.28 113.62 118.86 1fun n SER 107 Ca 0.19 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 58.08 1fun n SER 107 Cb 0.55 1.94 0.00 0.00 -1.01 0.00 0.00 64.21 65.69 1fun n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fun n GLY 108 N -0.32 0.92 0.78 0.23 0.00 -1.26 -2.02 105.19 103.52 1fun n GLY 108 Ca -0.03 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.38 1fun n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fun n ASP 109 N -0.59 2.41 -0.12 1.61 9.92 -1.26 -3.75 116.55 124.77 1fun n ASP 109 Ca 0.00 -1.80 0.08 0.00 -0.53 0.00 0.00 54.79 52.54 1fun n ASP 109 Cb 0.00 -0.05 0.12 0.00 -0.64 0.00 0.00 41.12 40.54 1fun n ASP 109 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1fun n HIS 110 N 0.86 0.00 -1.86 1.24 8.25 -1.24 -5.00 115.22 117.47 1fun n HIS 110 Ca 0.17 -0.85 -0.43 0.00 -0.26 0.00 0.00 57.72 56.35 1fun n HIS 110 Cb 0.49 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.44 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 -2.57 6.07 0.00 0.41 0.15 -0.86 -1.79 113.70 115.11 1fun s SER 111 Ca 0.27 1.89 0.20 0.00 0.70 0.00 0.00 55.95 59.01 1fun s SER 111 Cb 0.23 -2.52 1.09 0.00 -1.71 0.00 0.00 66.02 63.11 1fun s SER 111 CO 0.03 -1.47 1.61 2.30 1.20 0.00 0.00 173.24 176.91 1fun n ILE 112 N 6.73 0.23 -1.68 6.45 -5.35 0.52 -4.86 119.36 121.40 1fun n ILE 112 Ca 0.23 0.06 -0.45 0.00 -0.27 0.00 0.00 62.75 62.32 1fun n ILE 112 Cb 0.44 -0.73 -0.03 0.00 -1.74 0.00 0.00 39.64 37.58 1fun n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1fun n ILE 113 N -1.16 0.41 -2.10 7.28 5.41 -1.26 -2.15 119.36 125.79 1fun n ILE 113 Ca 0.12 -0.10 -0.05 0.00 1.00 0.00 0.00 62.75 63.72 1fun n ILE 113 Cb 0.12 -1.59 -0.00 0.00 -0.71 0.00 0.00 39.64 37.46 1fun n ILE 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1fun n GLY 114 N 2.91 0.19 2.41 7.39 0.00 0.25 -4.99 105.19 113.35 1fun n GLY 114 Ca 0.14 -0.69 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.44 0.94 -4.21 1.61 1.74 -0.92 -3.11 116.66 111.27 1fun n ARG 115 Ca -0.05 -2.47 -0.34 0.00 -0.77 0.00 0.00 57.85 54.21 1fun n ARG 115 Cb 0.54 0.97 -0.13 0.00 -1.02 0.00 0.00 32.46 32.83 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 -2.42 3.74 -0.04 0.55 2.01 -1.18 0.58 115.64 118.88 1fun s THR 116 Ca 0.07 -0.39 -0.17 0.00 0.31 0.00 0.00 61.69 61.50 1fun s THR 116 Cb 0.00 -2.67 -0.05 0.00 0.01 0.00 0.00 72.50 69.79 1fun s THR 116 CO 0.05 0.46 0.47 -0.22 -0.69 0.00 0.00 174.62 174.69 1fun s LEU 117 N 0.83 4.39 0.01 4.42 2.96 -0.51 -0.17 118.68 130.61 1fun s LEU 117 Ca -0.01 0.95 0.03 0.00 -0.22 0.00 0.00 54.13 54.88 1fun s LEU 117 Cb -0.14 -2.70 -0.01 0.00 0.50 0.00 0.00 46.19 43.84 1fun s LEU 117 CO 0.02 0.16 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.43 1fun s VAL 118 N -0.28 0.66 -0.07 1.68 1.01 -0.20 -2.20 120.40 121.00 1fun s VAL 118 Ca 0.26 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1fun s VAL 118 Cb -0.16 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 1fun s VAL 118 CO 0.13 0.05 -0.20 0.54 0.00 0.00 0.00 175.10 175.62 1fun s VAL 119 N -0.48 2.51 0.50 2.92 0.11 -1.12 -1.96 120.40 122.88 1fun s VAL 119 Ca 0.01 -0.90 0.09 0.00 -2.93 0.00 0.00 61.98 58.24 1fun s VAL 119 Cb -0.05 -1.96 0.05 0.00 -1.53 0.00 0.00 36.38 32.89 1fun s VAL 119 CO 0.00 0.57 0.67 -1.00 -3.33 0.00 0.00 175.10 172.01 1fun s HIS 120 N -0.23 2.04 0.07 1.54 3.76 0.51 -1.41 115.29 121.57 1fun s HIS 120 Ca -0.01 -0.59 -0.18 0.00 -0.15 0.00 0.00 55.06 54.14 1fun s HIS 120 Cb -0.13 -2.27 -0.11 0.00 1.11 0.00 0.00 32.58 31.18 1fun s HIS 120 CO 0.03 -0.79 1.39 1.49 -0.85 0.00 0.00 174.74 176.01 1fun h GLU 121 N 0.42 0.51 -5.48 1.40 4.81 -0.60 -3.39 114.58 112.25 1fun h GLU 121 Ca -0.35 -0.26 -0.64 0.00 -0.13 0.00 0.00 59.36 57.98 1fun h GLU 121 Cb 1.28 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.58 1fun h GLU 121 CO 0.44 0.83 -0.41 0.15 -0.73 0.00 0.00 179.01 179.29 1fun s LYS 122 N -4.37 2.23 0.07 1.92 1.02 0.96 -4.89 119.74 116.69 1fun s LYS 122 Ca -0.13 -2.27 -0.30 0.00 0.02 0.00 0.00 55.97 53.28 1fun s LYS 122 Cb 0.07 -1.77 -0.05 0.00 -0.52 0.00 0.00 37.83 35.56 1fun s LYS 122 CO 0.78 -0.52 0.97 0.00 -0.92 0.00 0.00 175.35 175.66 1fun s ALA 123 N -2.86 3.22 0.06 5.17 0.00 -1.21 -0.52 121.76 125.62 1fun s ALA 123 Ca 0.15 0.56 -0.31 0.00 0.00 0.00 0.00 51.96 52.37 1fun s ALA 123 Cb -0.01 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 1fun s ALA 123 CO 0.10 -0.10 1.55 0.34 0.00 0.00 0.00 175.76 177.66 1fun s ASP 124 N 0.34 6.69 -0.03 0.00 -1.08 -1.26 -4.20 116.67 117.13 1fun s ASP 124 Ca 0.49 2.38 0.05 0.00 -0.52 0.00 0.00 52.55 54.95 1fun s ASP 124 Cb -0.23 -2.57 0.19 0.00 -1.46 0.00 0.00 42.92 38.85 1fun s ASP 124 CO 0.29 -0.82 1.00 -0.90 0.52 0.00 0.00 175.17 175.27 1fun n ASP 125 N 5.27 1.53 -0.93 -0.34 5.68 0.38 -4.90 116.55 123.24 1fun n ASP 125 Ca 0.15 -2.10 -0.09 0.00 -0.50 0.00 0.00 54.79 52.25 1fun n ASP 125 Cb 0.41 -0.31 -0.04 0.00 -1.14 0.00 0.00 41.12 40.05 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 0.10 -0.43 0.00 -2.12 4.77 -1.26 -1.41 117.00 116.65 1fun n LEU 126 Ca 0.07 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1fun n LEU 126 Cb 0.30 -1.87 0.00 0.00 -2.33 0.00 0.00 43.42 39.52 1fun n LEU 126 CO 0.06 -0.65 0.00 0.61 -1.33 0.00 0.00 177.39 176.08 1fun n GLY 127 N 0.04 0.73 1.91 -0.72 0.00 -1.25 -2.83 105.19 103.06 1fun n GLY 127 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.12 2.43 0.03 1.61 5.02 -0.50 -4.61 118.16 120.02 1fun n LYS 128 Ca 0.00 -3.30 -0.10 0.00 -2.02 0.00 0.00 58.31 52.89 1fun n LYS 128 Cb 0.00 -2.11 -0.13 0.00 -0.02 0.00 0.00 35.03 32.76 1fun n LYS 128 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1fun h GLY 129 N 1.43 0.06 0.00 0.72 0.00 -1.89 -3.48 103.07 99.91 1fun h GLY 129 Ca 0.47 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1fun h GLY 129 CO 0.98 0.13 0.00 0.61 0.00 0.00 0.00 176.54 178.26 1fun n GLY 130 N 1.49 0.24 3.58 4.60 0.00 -1.26 -5.02 105.19 108.82 1fun n GLY 130 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 1fun n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fun s ASN 131 N -2.32 3.93 0.23 1.61 2.20 -1.26 -5.04 114.94 114.29 1fun s ASN 131 Ca 0.00 -1.11 -0.07 0.00 -0.94 0.00 0.00 52.86 50.75 1fun s ASN 131 Cb 0.00 -0.43 0.38 0.00 -2.00 0.00 0.00 41.25 39.20 1fun s ASN 131 CO 0.00 -0.22 1.73 -0.33 -2.94 0.00 0.00 177.10 175.34 1fun h GLU 132 N 1.93 0.40 -0.57 3.55 5.08 -2.00 -1.08 114.58 121.89 1fun h GLU 132 Ca -0.42 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.01 1fun h GLU 132 Cb 1.25 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 1fun h GLU 132 CO 0.69 0.26 0.38 0.93 -1.00 0.00 0.00 179.01 180.28 1fun h GLU 133 N 0.41 0.36 -0.32 2.33 4.39 -1.99 -1.77 114.58 117.99 1fun h GLU 133 Ca 0.37 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.03 1fun h GLU 133 Cb 0.53 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1fun h GLU 133 CO -0.38 0.24 0.14 1.03 -1.16 0.00 0.00 179.01 178.88 1fun h SER 134 N 0.37 0.40 -0.42 1.42 0.87 -1.52 0.14 113.55 114.81 1fun h SER 134 Ca 0.26 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1fun h SER 134 Cb 0.54 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1fun h SER 134 CO -0.07 0.36 0.00 0.35 -0.53 0.00 0.00 176.83 176.94 1fun n THR 135 N -4.42 0.55 0.03 2.23 -2.24 -0.67 -3.15 114.28 106.62 1fun n THR 135 Ca 0.02 -0.58 -0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1fun n THR 135 Cb 0.13 0.33 -0.00 0.00 -2.10 0.00 0.00 70.33 68.69 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 0.78 0.00 -0.05 -0.78 1.02 -0.61 -1.70 120.64 119.31 1fun n GLU 136 Ca 0.15 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.32 1fun n GLU 136 Cb 0.38 -0.30 -0.16 0.00 -0.02 0.00 0.00 31.44 31.34 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 -3.09 0.55 -0.65 2.62 -2.24 0.40 -4.72 114.28 107.15 1fun n THR 137 Ca -0.00 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1fun n THR 137 Cb 0.00 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 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 1.52 0.66 2.47 3.38 0.00 -0.71 -3.55 105.19 108.96 1fun n GLY 138 Ca -0.15 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 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 0.28 -5.72 0.28 1.61 3.02 -1.25 -0.47 115.26 113.01 1fun n ASN 139 Ca 0.00 0.19 0.17 0.00 -0.03 0.00 0.00 54.58 54.91 1fun n ASN 139 Cb 0.00 -4.85 0.73 0.00 -0.61 0.00 0.00 39.78 35.05 1fun n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fun h ALA 140 N 0.60 1.01 0.00 5.41 0.00 -1.73 -3.43 119.26 121.13 1fun h ALA 140 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1fun h ALA 140 Cb 1.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1fun h ALA 140 CO 0.60 0.03 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1fun n GLY 141 N -0.12 -1.56 3.57 0.00 0.00 -1.26 -0.03 105.19 105.80 1fun n GLY 141 Ca 0.00 -1.33 -0.35 0.00 0.00 0.00 0.00 46.02 44.34 1fun n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fun n SER 142 N 0.09 -0.12 -4.70 1.61 7.64 -1.26 -4.53 113.62 112.35 1fun n SER 142 Ca 0.00 0.61 -0.38 0.00 1.01 0.00 0.00 58.87 60.11 1fun n SER 142 Cb 0.00 -1.35 -0.06 0.00 -1.01 0.00 0.00 64.21 61.79 1fun n SER 142 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1fun s ARG 143 N -3.30 4.28 -0.15 1.43 0.52 -1.26 -0.27 118.95 120.20 1fun s ARG 143 Ca 0.70 0.39 0.17 0.00 -0.52 0.00 0.00 55.73 56.46 1fun s ARG 143 Cb -0.33 -3.48 -0.24 0.00 0.52 0.00 0.00 34.95 31.42 1fun s ARG 143 CO 0.54 0.07 0.24 1.28 0.02 0.00 0.00 175.30 177.45 1fun n LEU 144 N 4.02 0.24 -3.50 2.53 4.77 -0.50 -4.90 117.00 119.66 1fun n LEU 144 Ca -0.07 0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 55.90 1fun n LEU 144 Cb 0.51 0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 41.97 1fun n LEU 144 CO 0.42 0.46 0.56 0.00 -1.33 0.00 0.00 177.39 177.50 1fun s ALA 145 N -2.55 -1.77 0.37 -1.18 0.00 -1.25 -4.10 121.76 111.28 1fun s ALA 145 Ca -0.08 1.05 -0.12 0.00 0.00 0.00 0.00 51.96 52.81 1fun s ALA 145 Cb 0.07 0.23 0.05 0.00 0.00 0.00 0.00 23.12 23.47 1fun s ALA 145 CO 0.83 -0.56 0.70 0.00 0.00 0.00 0.00 175.76 176.73 1fun s GLY 147 N -2.98 0.23 0.01 0.00 0.00 -0.93 -1.06 107.32 102.58 1fun s GLY 147 Ca 0.17 3.28 -0.30 0.00 0.00 0.00 0.00 44.72 47.87 1fun s GLY 147 CO 0.13 1.79 1.18 0.14 0.00 0.00 0.00 173.10 176.34 1fun s VAL 148 N -0.12 4.20 -0.27 1.40 1.01 -1.25 -1.43 120.40 123.94 1fun s VAL 148 Ca 0.07 1.56 -0.29 0.00 0.00 0.00 0.00 61.98 63.32 1fun s VAL 148 Cb -0.04 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 1fun s VAL 148 CO -0.13 0.07 1.46 -0.63 0.00 0.00 0.00 175.10 175.88 1fun s ILE 149 N 1.50 3.90 0.18 2.22 1.01 0.19 -4.69 121.20 125.52 1fun s ILE 149 Ca 0.57 1.01 0.10 0.00 0.00 0.00 0.00 60.65 62.33 1fun s ILE 149 Cb -0.27 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 1fun s ILE 149 CO 0.26 -0.41 -0.21 -0.83 0.00 0.00 0.00 174.94 173.75 1fun s GLY 150 N 3.60 1.56 0.62 6.18 0.00 -1.01 0.86 107.32 119.13 1fun s GLY 150 Ca 0.64 -1.57 -0.19 0.00 0.00 0.00 0.00 44.72 43.60 1fun s GLY 150 CO 0.27 -1.61 1.31 -0.42 0.00 0.00 0.00 173.10 172.64 1fun s ILE 151 N -1.87 2.06 0.36 0.90 1.01 -1.26 -1.90 121.20 120.50 1fun s ILE 151 Ca 0.18 0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.82 1fun s ILE 151 Cb -0.07 -3.02 0.02 0.00 0.01 0.00 0.00 42.46 39.40 1fun s ILE 151 CO 0.08 -0.01 0.57 0.00 0.00 0.00 0.00 174.94 175.59 1fun s ALA 152 N -1.38 0.41 0.00 9.38 0.00 -1.25 -4.81 121.76 124.12 1fun s ALA 152 Ca 0.80 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1fun s ALA 152 Cb -0.38 1.02 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1fun s ALA 152 CO 0.41 -0.84 0.00 0.94 0.00 0.00 0.00 175.76 176.27