#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 0.98 -4.27 0.00 -1.04 -1.26 -4.66 114.28 104.03 1fun n THR 2 Ca 0.00 -0.67 -0.17 0.00 -2.04 0.00 0.00 64.05 61.17 1fun n THR 2 Cb 0.00 -0.55 -0.14 0.00 -1.82 0.00 0.00 70.33 67.81 1fun n THR 2 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1fun s LYS 3 N -3.01 0.64 0.11 -2.82 1.02 -1.26 0.10 119.74 114.52 1fun s LYS 3 Ca -0.04 -0.37 -0.04 0.00 0.02 0.00 0.00 55.97 55.54 1fun s LYS 3 Cb 0.09 -0.60 -0.03 0.00 -0.52 0.00 0.00 37.83 36.78 1fun s LYS 3 CO 0.82 0.16 0.10 0.00 -0.92 0.00 0.00 175.35 175.51 1fun s ALA 4 N -0.37 0.45 -0.04 5.17 0.00 -1.03 -1.58 121.76 124.36 1fun s ALA 4 Ca 0.01 -1.17 -0.16 0.00 0.00 0.00 0.00 51.96 50.65 1fun s ALA 4 Cb -0.04 0.67 0.03 0.00 0.00 0.00 0.00 23.12 23.78 1fun s ALA 4 CO -0.00 -0.50 0.35 0.54 0.00 0.00 0.00 175.76 176.16 1fun s VAL 5 N -3.98 0.04 -0.01 0.00 0.11 -0.06 -1.48 120.40 115.02 1fun s VAL 5 Ca 0.16 -0.34 0.02 0.00 -2.93 0.00 0.00 61.98 58.89 1fun s VAL 5 Cb 0.06 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.29 1fun s VAL 5 CO -0.03 -0.19 -0.05 0.00 -3.33 0.00 0.00 175.10 171.50 1fun s ALA 6 N -1.00 0.51 -0.34 1.54 0.00 0.01 -1.32 121.76 121.17 1fun s ALA 6 Ca -0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 51.96 51.62 1fun s ALA 6 Cb -0.04 -0.18 0.06 0.00 0.00 0.00 0.00 23.12 22.96 1fun s ALA 6 CO 0.04 0.10 0.07 0.08 0.00 0.00 0.00 175.76 176.05 1fun s VAL 7 N 0.06 3.24 0.11 0.00 1.01 -1.26 -0.70 120.40 122.85 1fun s VAL 7 Ca -0.00 -1.50 -0.30 0.00 0.00 0.00 0.00 61.98 60.18 1fun s VAL 7 Cb -0.05 -2.95 -0.06 0.00 0.00 0.00 0.00 36.38 33.33 1fun s VAL 7 CO -0.00 -0.27 1.14 -0.76 0.00 0.00 0.00 175.10 175.21 1fun s LEU 8 N 1.26 4.42 -0.03 3.92 1.43 0.25 -4.01 118.68 125.92 1fun s LEU 8 Ca -0.01 2.03 -0.24 0.00 -1.03 0.00 0.00 54.13 54.88 1fun s LEU 8 Cb -0.20 -3.59 0.05 0.00 0.03 0.00 0.00 46.19 42.48 1fun s LEU 8 CO -0.01 -0.35 0.52 -0.54 0.23 0.00 0.00 176.35 176.20 1fun s LYS 9 N 0.42 0.89 0.16 1.70 1.02 0.34 -2.83 119.74 121.44 1fun s LYS 9 Ca 0.54 0.04 -0.05 0.00 0.02 0.00 0.00 55.97 56.53 1fun s LYS 9 Cb -0.29 0.41 0.02 0.00 -0.52 0.00 0.00 37.83 37.45 1fun s LYS 9 CO 0.32 -0.27 0.29 0.41 -0.92 0.00 0.00 175.35 175.17 1fun n GLY 10 N 1.03 1.91 1.35 -3.33 0.00 -1.25 -0.72 105.19 104.17 1fun n GLY 10 Ca -0.20 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.42 4.13 0.00 1.61 8.00 -1.26 -4.81 116.55 122.80 1fun n ASP 11 Ca -0.02 -2.13 0.00 0.00 0.71 0.00 0.00 54.79 53.35 1fun n ASP 11 Cb 0.24 -0.83 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 1fun n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fun n GLY 12 N 1.19 2.81 0.21 0.44 0.00 -1.26 -5.06 105.19 103.53 1fun n GLY 12 Ca 0.00 -0.74 0.06 0.00 0.00 0.00 0.00 46.02 45.34 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 -6.25 1.61 0.13 -1.87 -3.45 132.00 122.17 1fun h PRO 13 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 1fun h PRO 13 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1fun h PRO 13 CO 0.00 0.27 1.08 0.08 -0.23 0.00 0.00 178.00 179.19 1fun s VAL 14 N -4.18 3.66 0.26 1.56 1.01 -1.25 -4.53 120.40 116.94 1fun s VAL 14 Ca -0.03 0.80 0.01 0.00 0.00 0.00 0.00 61.98 62.76 1fun s VAL 14 Cb 0.14 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 1fun s VAL 14 CO 0.67 -0.10 0.12 -1.10 0.00 0.00 0.00 175.10 174.70 1fun s GLN 15 N 4.08 1.43 0.00 2.72 -0.21 -0.91 -3.97 119.66 122.81 1fun s GLN 15 Ca 0.71 -1.79 0.00 0.00 0.02 0.00 0.00 55.36 54.31 1fun s GLN 15 Cb -0.31 -0.13 0.00 0.00 1.00 0.00 0.00 33.01 33.57 1fun s GLN 15 CO 0.28 -0.36 0.00 0.41 -2.12 0.00 0.00 175.29 173.50 1fun n GLY 16 N -0.47 3.69 3.11 3.09 0.00 -1.13 -1.23 105.19 112.25 1fun n GLY 16 Ca 0.01 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 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 2.05 -0.16 -0.61 1.01 -1.13 0.85 121.20 121.22 1fun s ILE 17 Ca 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 1fun s ILE 17 Cb 0.00 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 1fun s ILE 17 CO 0.00 0.50 -0.06 -0.63 0.00 0.00 0.00 174.94 174.75 1fun s ILE 18 N 1.28 3.57 0.13 2.92 -1.09 0.12 -3.45 121.20 124.68 1fun s ILE 18 Ca 0.04 -0.46 0.02 0.00 -2.23 0.00 0.00 60.65 58.02 1fun s ILE 18 Cb -0.13 -2.56 -0.04 0.00 -1.58 0.00 0.00 42.46 38.15 1fun s ILE 18 CO -0.12 0.49 0.26 0.20 -1.23 0.00 0.00 174.94 174.53 1fun s ASN 19 N 0.57 6.30 0.04 3.58 0.01 0.13 -0.81 114.94 124.76 1fun s ASN 19 Ca -0.04 0.18 0.02 0.00 -0.71 0.00 0.00 52.86 52.31 1fun s ASN 19 Cb -0.15 -1.90 -0.02 0.00 0.41 0.00 0.00 41.25 39.59 1fun s ASN 19 CO 0.03 0.08 -0.08 -0.36 -1.51 0.00 0.00 177.10 175.26 1fun s PHE 20 N -1.68 0.66 -0.21 2.20 0.40 -0.55 -0.84 117.98 117.96 1fun s PHE 20 Ca 0.34 -0.48 -0.09 0.00 -0.60 0.00 0.00 56.93 56.10 1fun s PHE 20 Cb -0.11 -0.40 0.08 0.00 0.51 0.00 0.00 43.02 43.10 1fun s PHE 20 CO 0.28 -0.08 0.48 -2.00 0.70 0.00 0.00 175.22 174.60 1fun s GLU 21 N -1.52 0.43 -0.22 0.44 2.12 -1.08 -2.46 118.70 116.41 1fun s GLU 21 Ca -0.09 1.04 0.02 0.00 0.36 0.00 0.00 54.97 56.30 1fun s GLU 21 Cb -0.10 0.27 0.05 0.00 0.26 0.00 0.00 34.13 34.61 1fun s GLU 21 CO 0.00 -0.20 -0.13 -1.14 -0.54 0.00 0.00 175.26 173.26 1fun s GLN 22 N 2.15 2.33 0.15 4.30 0.74 0.12 -1.85 119.66 127.60 1fun s GLN 22 Ca -0.06 -1.07 0.27 0.00 0.05 0.00 0.00 55.36 54.55 1fun s GLN 22 Cb -0.10 -2.67 0.91 0.00 1.10 0.00 0.00 33.01 32.25 1fun s GLN 22 CO -0.15 -0.45 1.80 1.63 -0.55 0.00 0.00 175.29 177.58 1fun n LYS 23 N 4.56 0.19 -3.77 1.67 5.02 -1.26 -4.41 118.16 120.15 1fun n LYS 23 Ca -0.16 0.15 -0.13 0.00 -2.02 0.00 0.00 58.31 56.15 1fun n LYS 23 Cb 0.45 -1.71 -0.11 0.00 -0.02 0.00 0.00 35.03 33.64 1fun n LYS 23 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1fun s GLU 24 N -3.07 0.37 0.56 1.97 2.02 -1.26 -5.00 118.70 114.29 1fun s GLU 24 Ca 0.11 0.34 0.30 0.00 0.02 0.00 0.00 54.97 55.74 1fun s GLU 24 Cb 0.14 0.18 1.46 0.00 0.10 0.00 0.00 34.13 36.01 1fun s GLU 24 CO 0.58 -0.05 1.88 0.66 0.02 0.00 0.00 175.26 178.35 1fun h SER 25 N 5.52 0.00 -0.01 -0.19 4.64 -1.96 0.23 113.55 121.78 1fun h SER 25 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1fun h SER 25 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1fun h SER 25 CO 0.33 0.00 -0.23 -0.46 -0.87 0.00 0.00 176.83 175.60 1fun n ASN 26 N -3.97 1.34 -4.36 4.97 6.94 -1.26 -4.95 115.26 113.97 1fun n ASN 26 Ca 0.13 -1.17 -0.29 0.00 -0.02 0.00 0.00 54.58 53.23 1fun n ASN 26 Cb 0.83 0.45 0.17 0.00 -2.36 0.00 0.00 39.78 38.87 1fun n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1fun s GLY 27 N -1.47 1.63 0.46 4.83 0.00 0.81 -5.05 107.32 108.54 1fun s GLY 27 Ca 0.10 -0.82 -0.15 0.00 0.00 0.00 0.00 44.72 43.84 1fun s GLY 27 CO 0.28 -0.12 0.90 2.56 0.00 0.00 0.00 173.10 176.72 1fun s PRO 28 N -5.49 3.94 -0.16 2.90 0.04 -1.26 -4.82 135.00 130.14 1fun s PRO 28 Ca 0.68 0.81 -0.17 0.00 0.04 0.00 0.00 61.00 62.36 1fun s PRO 28 Cb -0.10 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1fun s PRO 28 CO 0.54 -0.14 0.45 0.08 0.04 0.00 0.00 177.00 177.97 1fun s VAL 29 N -2.45 5.18 -0.57 -0.36 1.01 0.25 -4.50 120.40 118.96 1fun s VAL 29 Ca 0.57 0.86 -0.18 0.00 0.00 0.00 0.00 61.98 63.23 1fun s VAL 29 Cb -0.10 -3.79 0.10 0.00 0.00 0.00 0.00 36.38 32.60 1fun s VAL 29 CO 0.28 0.28 0.65 -0.75 0.00 0.00 0.00 175.10 175.55 1fun s LYS 30 N 1.02 3.04 -0.12 2.72 2.36 -0.77 0.65 119.74 128.63 1fun s LYS 30 Ca 0.23 -1.37 -0.22 0.00 -2.55 0.00 0.00 55.97 52.06 1fun s LYS 30 Cb -0.15 -4.26 -0.03 0.00 -1.05 0.00 0.00 37.83 32.34 1fun s LYS 30 CO 0.09 -1.46 0.64 0.08 1.55 0.00 0.00 175.35 176.25 1fun s VAL 31 N 2.42 5.06 -0.14 4.02 1.01 -0.92 -2.65 120.40 129.20 1fun s VAL 31 Ca 0.10 1.27 -0.17 0.00 0.00 0.00 0.00 61.98 63.18 1fun s VAL 31 Cb -0.25 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.20 1fun s VAL 31 CO 0.06 0.21 0.46 -1.66 0.00 0.00 0.00 175.10 174.17 1fun s TRP 32 N 1.19 -0.47 -2.58 5.22 -2.14 -0.02 -0.49 118.94 119.65 1fun s TRP 32 Ca 0.32 1.09 0.00 0.00 2.66 0.00 0.00 56.10 60.17 1fun s TRP 32 Cb -0.16 0.18 0.00 0.00 -3.10 0.00 0.00 33.47 30.38 1fun s TRP 32 CO 0.14 -0.29 0.00 0.41 -2.66 0.00 0.00 176.95 174.54 1fun n GLY 33 N 2.47 -0.59 3.02 3.67 0.00 -1.03 -0.70 105.19 112.03 1fun n GLY 33 Ca -0.15 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 1fun n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fun s SER 34 N -4.00 0.19 -0.03 1.61 0.01 -1.22 -0.14 113.70 110.12 1fun s SER 34 Ca 0.00 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.82 1fun s SER 34 Cb 0.00 0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.39 1fun s SER 34 CO 0.00 -0.34 0.00 -0.63 0.41 0.00 0.00 173.24 172.68 1fun s ILE 35 N -1.57 0.20 0.30 1.44 1.01 -0.61 -2.84 121.20 119.13 1fun s ILE 35 Ca -0.14 0.09 0.10 0.00 0.00 0.00 0.00 60.65 60.70 1fun s ILE 35 Cb -0.08 -0.30 -0.05 0.00 0.01 0.00 0.00 42.46 42.04 1fun s ILE 35 CO -0.01 0.16 -0.03 -1.59 0.00 0.00 0.00 174.94 173.47 1fun s LYS 36 N 1.14 2.09 -0.13 2.79 -2.85 -0.37 -0.05 119.74 122.36 1fun s LYS 36 Ca -0.08 -1.63 0.00 0.00 -1.00 0.00 0.00 55.97 53.26 1fun s LYS 36 Cb -0.13 -1.99 0.00 0.00 -2.06 0.00 0.00 37.83 33.65 1fun s LYS 36 CO -0.02 0.25 0.00 0.41 0.10 0.00 0.00 175.35 176.09 1fun n GLY 37 N -0.88 0.32 3.84 0.59 0.00 -1.19 -2.14 105.19 105.73 1fun n GLY 37 Ca -0.05 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.42 3.97 -0.39 0.99 1.43 -0.81 -3.94 118.68 119.50 1fun s LEU 38 Ca 0.00 -0.02 -0.28 0.00 -1.03 0.00 0.00 54.13 52.80 1fun s LEU 38 Cb 0.00 -2.58 0.02 0.00 0.03 0.00 0.00 46.19 43.66 1fun s LEU 38 CO 0.00 0.08 1.06 0.42 0.23 0.00 0.00 176.35 178.14 1fun s THR 39 N -1.69 4.42 0.01 5.49 -4.23 -1.26 -4.25 115.64 114.12 1fun s THR 39 Ca 0.32 1.40 -0.13 0.00 -1.18 0.00 0.00 61.69 62.10 1fun s THR 39 Cb -0.11 -4.46 -0.06 0.00 1.34 0.00 0.00 72.50 69.20 1fun s THR 39 CO 0.25 -0.69 0.34 1.21 -0.54 0.00 0.00 174.62 175.18 1fun n GLU 40 N 7.20 0.00 0.00 3.99 2.13 -1.26 -4.73 120.64 127.97 1fun n GLU 40 Ca 0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.93 1fun n GLU 40 Cb 0.48 -0.48 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 0.50 0.61 3.84 8.31 0.00 0.49 -4.90 105.19 114.04 1fun n GLY 41 Ca 0.06 -2.15 -0.34 0.00 0.00 0.00 0.00 46.02 43.59 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 4.24 -0.04 0.99 1.43 -1.26 0.09 118.68 124.12 1fun s LEU 42 Ca 0.00 1.22 -0.03 0.00 -1.03 0.00 0.00 54.13 54.29 1fun s LEU 42 Cb 0.00 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.59 1fun s LEU 42 CO 0.00 -0.03 0.11 -1.00 0.23 0.00 0.00 176.35 175.66 1fun s HIS 43 N -1.68 -0.11 0.35 0.29 3.76 -0.28 -3.09 115.29 114.52 1fun s HIS 43 Ca 0.45 0.33 -0.29 0.00 -0.15 0.00 0.00 55.06 55.40 1fun s HIS 43 Cb -0.14 -0.04 -0.11 0.00 1.11 0.00 0.00 32.58 33.40 1fun s HIS 43 CO 0.20 -0.10 1.54 0.20 -0.85 0.00 0.00 174.74 175.72 1fun s GLY 44 N 0.58 2.63 -0.23 -2.22 0.00 -0.58 -1.05 107.32 106.44 1fun s GLY 44 Ca -0.04 1.59 -0.01 0.00 0.00 0.00 0.00 44.72 46.26 1fun s GLY 44 CO -0.02 2.39 0.00 -0.12 0.00 0.00 0.00 173.10 175.35 1fun s PHE 45 N -0.70 1.82 0.25 1.90 5.36 -0.14 -0.44 117.98 126.03 1fun s PHE 45 Ca 0.57 -1.45 0.02 0.00 -0.96 0.00 0.00 56.93 55.10 1fun s PHE 45 Cb -0.47 -1.43 -0.05 0.00 -0.34 0.00 0.00 43.02 40.73 1fun s PHE 45 CO 0.58 -0.73 0.07 -1.01 -1.46 0.00 0.00 175.22 172.67 1fun s HIS 46 N 1.59 1.50 -0.26 10.12 3.76 -0.98 -2.02 115.29 129.00 1fun s HIS 46 Ca -0.01 -1.13 0.01 0.00 -0.15 0.00 0.00 55.06 53.78 1fun s HIS 46 Cb -0.18 -0.88 0.05 0.00 1.11 0.00 0.00 32.58 32.68 1fun s HIS 46 CO -0.10 -0.29 -0.08 0.08 -0.85 0.00 0.00 174.74 173.51 1fun s VAL 47 N -3.70 2.45 0.59 -0.90 1.01 -0.31 -1.32 120.40 118.21 1fun s VAL 47 Ca 0.35 -1.45 -0.08 0.00 0.00 0.00 0.00 61.98 60.79 1fun s VAL 47 Cb 0.07 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 1fun s VAL 47 CO 0.12 0.02 0.94 -1.00 0.00 0.00 0.00 175.10 175.17 1fun s HIS 48 N 1.18 3.46 0.11 5.22 3.76 0.15 -1.02 115.29 128.14 1fun s HIS 48 Ca -0.06 0.94 -0.25 0.00 -0.15 0.00 0.00 55.06 55.54 1fun s HIS 48 Cb -0.19 -2.66 -0.09 0.00 1.11 0.00 0.00 32.58 30.75 1fun s HIS 48 CO -0.05 -0.69 1.68 1.49 -0.85 0.00 0.00 174.74 176.33 1fun h GLU 49 N -0.18 -0.27 -6.03 1.40 4.81 -0.44 -3.27 114.58 110.61 1fun h GLU 49 Ca -0.45 0.02 -0.63 0.00 -0.13 0.00 0.00 59.36 58.17 1fun h GLU 49 Cb 1.22 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.60 1fun h GLU 49 CO 0.62 -0.18 -0.54 -0.06 -0.73 0.00 0.00 179.01 178.12 1fun s PHE 50 N -6.13 3.38 -0.62 0.92 0.08 -0.66 -4.73 117.98 110.21 1fun s PHE 50 Ca -0.15 0.17 -0.02 0.00 0.12 0.00 0.00 56.93 57.06 1fun s PHE 50 Cb 0.08 -1.70 0.40 0.00 -0.57 0.00 0.00 43.02 41.23 1fun s PHE 50 CO 0.66 0.56 2.05 0.41 -0.10 0.00 0.00 175.22 178.80 1fun n GLY 51 N 0.34 5.56 3.45 4.36 0.00 -1.11 -2.39 105.19 115.41 1fun n GLY 51 Ca -0.07 -2.13 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 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 -1.44 5.40 -0.13 1.61 -1.08 -1.26 -4.87 116.67 114.89 1fun s ASP 52 Ca 0.59 -0.36 0.15 0.00 -0.52 0.00 0.00 52.55 52.40 1fun s ASP 52 Cb 0.46 -1.97 0.34 0.00 -1.46 0.00 0.00 42.92 40.29 1fun s ASP 52 CO -0.04 -0.12 1.17 0.59 0.52 0.00 0.00 175.17 177.30 1fun n ASN 53 N 4.96 1.63 0.26 -0.34 5.03 -1.26 -2.49 115.26 123.05 1fun n ASN 53 Ca -0.15 -3.20 0.10 0.00 0.87 0.00 0.00 54.58 52.20 1fun n ASN 53 Cb 0.50 -0.43 0.71 0.00 -1.02 0.00 0.00 39.78 39.54 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 2.17 0.82 -0.76 3.41 1.35 -1.95 -0.77 112.91 117.18 1fun h THR 54 Ca -0.03 -0.22 -0.55 0.00 -0.55 0.00 0.00 66.41 65.06 1fun h THR 54 Cb 1.17 1.13 -0.43 0.00 -1.73 0.00 0.00 68.15 68.29 1fun h THR 54 CO 0.01 0.06 -0.82 0.00 -0.25 0.00 0.00 175.52 174.52 1fun n ALA 55 N -2.43 4.99 -0.96 6.62 0.00 -1.26 -5.06 120.51 122.41 1fun n ALA 55 Ca -0.03 -3.79 0.11 0.00 0.00 0.00 0.00 53.44 49.73 1fun n ALA 55 Cb 0.14 -0.33 -0.03 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.71 -1.83 0.20 0.00 0.00 -0.30 -3.29 105.19 99.27 1fun n GLY 56 Ca 0.43 -1.23 0.03 0.00 0.00 0.00 0.00 46.02 45.26 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 1.07 0.00 0.00 2.02 -1.89 -2.73 112.91 111.38 1fun h THR 58 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1fun h THR 58 Cb 1.22 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1fun h THR 58 CO 0.00 0.06 0.00 0.77 0.37 0.00 0.00 175.52 176.72 1fun h SER 59 N 0.10 0.00 0.07 4.18 4.64 -1.00 -3.09 113.55 118.46 1fun h SER 59 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1fun h SER 59 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1fun h SER 59 CO -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.95 1fun n ALA 60 N -1.81 1.21 -0.53 5.18 0.00 -1.03 -4.66 120.51 118.87 1fun n ALA 60 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1fun n ALA 60 Cb 0.08 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1fun n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fun n GLY 61 N -1.15 -0.49 3.66 0.00 0.00 -1.17 -1.65 105.19 104.38 1fun n GLY 61 Ca 0.01 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 -0.70 0.50 1.61 0.04 -1.26 -4.56 135.00 130.63 1fun s PRO 62 Ca 0.00 -0.06 -0.21 0.00 0.04 0.00 0.00 61.00 60.77 1fun s PRO 62 Cb 0.00 -1.66 -0.06 0.00 0.04 0.00 0.00 34.50 32.82 1fun s PRO 62 CO 0.00 -3.36 1.17 -1.01 0.04 0.00 0.00 177.00 173.83 1fun s HIS 63 N -3.16 2.74 -0.35 0.56 3.76 -1.26 -0.16 115.29 117.42 1fun s HIS 63 Ca 0.71 1.53 -0.28 0.00 -0.15 0.00 0.00 55.06 56.86 1fun s HIS 63 Cb -0.10 -3.38 -0.03 0.00 1.11 0.00 0.00 32.58 30.18 1fun s HIS 63 CO 0.56 -1.66 1.95 0.12 -0.85 0.00 0.00 174.74 174.85 1fun s PHE 64 N -1.60 1.59 -0.40 1.40 5.36 -0.19 -4.41 117.98 119.74 1fun s PHE 64 Ca 0.68 0.70 0.03 0.00 -0.96 0.00 0.00 56.93 57.38 1fun s PHE 64 Cb -0.28 -4.04 0.16 0.00 -0.34 0.00 0.00 43.02 38.53 1fun s PHE 64 CO 0.33 -3.10 0.31 1.21 -1.46 0.00 0.00 175.22 172.51 1fun s ASN 65 N 7.27 1.75 0.20 6.13 2.47 -1.26 -0.85 114.94 130.65 1fun s ASN 65 Ca 0.84 -2.79 0.09 0.00 0.42 0.00 0.00 52.86 51.42 1fun s ASN 65 Cb -0.23 -0.36 0.05 0.00 -1.45 0.00 0.00 41.25 39.25 1fun s ASN 65 CO 0.32 -0.21 1.43 1.55 -3.72 0.00 0.00 177.10 176.47 1fun h PRO 66 N 6.00 0.00 -0.93 0.43 0.13 -1.93 -3.16 132.00 132.54 1fun h PRO 66 Ca 0.21 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.27 1fun h PRO 66 Cb 0.93 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.02 1fun h PRO 66 CO 0.33 0.81 0.09 1.28 -0.23 0.00 0.00 178.00 180.28 1fun n LEU 67 N -3.51 3.24 -3.82 1.56 4.77 -1.26 -4.90 117.00 113.08 1fun n LEU 67 Ca -0.00 -1.66 -0.25 0.00 -0.03 0.00 0.00 56.01 54.07 1fun n LEU 67 Cb 0.79 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1fun n LEU 67 CO 0.44 0.51 -0.25 -1.20 -1.33 0.00 0.00 177.39 175.56 1fun n SER 68 N 0.10 -0.56 -2.29 -1.43 7.64 -1.19 -4.95 113.62 110.94 1fun n SER 68 Ca 0.13 -0.88 -0.02 0.00 1.01 0.00 0.00 58.87 59.11 1fun n SER 68 Cb 0.69 -1.08 0.01 0.00 -1.01 0.00 0.00 64.21 62.82 1fun n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1fun n ARG 69 N -3.55 1.03 -3.21 1.43 5.12 -1.26 -5.13 116.66 111.09 1fun n ARG 69 Ca -0.17 -0.31 -0.20 0.00 -1.93 0.00 0.00 57.85 55.24 1fun n ARG 69 Cb 0.44 -0.02 0.01 0.00 -1.16 0.00 0.00 32.46 31.73 1fun n ARG 69 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1fun s LYS 70 N -2.25 3.02 0.38 5.56 -0.14 -1.26 -4.81 119.74 120.24 1fun s LYS 70 Ca 0.06 -0.86 -0.25 0.00 -1.36 0.00 0.00 55.97 53.55 1fun s LYS 70 Cb -0.00 -2.71 -0.09 0.00 -1.68 0.00 0.00 37.83 33.35 1fun s LYS 70 CO 0.04 -0.14 1.11 -1.58 -0.76 0.00 0.00 175.35 174.02 1fun s HIS 71 N -2.36 3.21 0.00 3.18 5.65 0.62 -2.82 115.29 122.77 1fun s HIS 71 Ca 0.48 1.61 0.00 0.00 0.25 0.00 0.00 55.06 57.40 1fun s HIS 71 Cb -0.10 -3.28 0.00 0.00 -1.18 0.00 0.00 32.58 28.02 1fun s HIS 71 CO 0.34 -0.96 0.00 0.41 -0.65 0.00 0.00 174.74 173.88 1fun n GLY 72 N 0.60 2.11 3.97 1.59 0.00 -1.26 -4.44 105.19 107.77 1fun n GLY 72 Ca 0.04 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.89 1.76 0.30 -0.02 0.00 -1.06 -4.62 107.32 102.80 1fun s GLY 73 Ca 0.00 -1.55 0.10 0.00 0.00 0.00 0.00 44.72 43.27 1fun s GLY 73 CO 0.00 -0.97 1.69 -0.56 0.00 0.00 0.00 173.10 173.26 1fun h PRO 74 N -0.72 0.05 -0.02 2.90 0.13 -1.87 -2.92 132.00 129.55 1fun h PRO 74 Ca -0.39 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1fun h PRO 74 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1fun h PRO 74 CO 0.42 0.55 0.00 1.63 -0.23 0.00 0.00 178.00 180.37 1fun n LYS 75 N -3.94 1.68 -1.82 0.86 4.76 -1.26 -4.93 118.16 113.52 1fun n LYS 75 Ca -0.02 -0.99 -0.29 0.00 -2.87 0.00 0.00 58.31 54.14 1fun n LYS 75 Cb 0.53 -1.48 0.13 0.00 -1.84 0.00 0.00 35.03 32.37 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 -1.98 3.80 -0.19 4.39 1.11 -1.10 -5.02 116.67 117.68 1fun s ASP 76 Ca 0.38 0.66 -0.15 0.00 0.18 0.00 0.00 52.55 53.61 1fun s ASP 76 Cb 0.21 -1.02 -0.10 0.00 1.07 0.00 0.00 42.92 43.08 1fun s ASP 76 CO 0.33 -2.34 -0.09 -0.62 1.18 0.00 0.00 175.17 173.63 1fun n GLU 77 N -3.58 0.52 -2.69 8.23 1.02 -1.26 -4.77 120.64 118.11 1fun n GLU 77 Ca 0.10 0.47 -0.43 0.00 -0.02 0.00 0.00 57.16 57.28 1fun n GLU 77 Cb 0.60 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 1fun n GLU 77 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1fun s GLU 78 N -2.40 3.56 -0.12 3.49 2.56 -1.26 -4.96 118.70 119.57 1fun s GLU 78 Ca -0.24 0.25 -0.30 0.00 0.00 0.00 0.00 54.97 54.67 1fun s GLU 78 Cb 0.05 -3.96 0.12 0.00 2.00 0.00 0.00 34.13 32.34 1fun s GLU 78 CO 0.40 -1.43 0.97 -0.98 -0.56 0.00 0.00 175.26 173.66 1fun s ARG 79 N 4.31 0.65 0.51 4.30 1.04 -1.17 -4.03 118.95 124.56 1fun s ARG 79 Ca 0.41 0.01 -0.22 0.00 -1.04 0.00 0.00 55.73 54.89 1fun s ARG 79 Cb -0.09 0.30 -0.06 0.00 -2.04 0.00 0.00 34.95 33.07 1fun s ARG 79 CO 0.27 -0.23 1.21 -1.01 -0.04 0.00 0.00 175.30 175.49 1fun s HIS 80 N -1.75 2.64 0.52 5.89 3.76 -1.13 -4.76 115.29 120.47 1fun s HIS 80 Ca 0.01 1.50 0.20 0.00 -0.15 0.00 0.00 55.06 56.61 1fun s HIS 80 Cb -0.01 -3.48 1.36 0.00 1.11 0.00 0.00 32.58 31.57 1fun s HIS 80 CO -0.02 -1.93 2.14 0.28 -0.85 0.00 0.00 174.74 174.37 1fun h VAL 81 N 1.54 0.89 0.00 -0.90 2.07 -1.78 -1.13 116.25 116.94 1fun h VAL 81 Ca -0.50 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1fun h VAL 81 Cb 1.27 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1fun h VAL 81 CO 0.58 0.04 0.00 0.61 0.02 0.00 0.00 177.57 178.82 1fun n GLY 82 N -1.35 -1.41 3.56 2.17 0.00 -0.03 -4.34 105.19 103.79 1fun n GLY 82 Ca -0.03 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.97 5.36 0.00 1.61 1.01 -0.43 -1.16 116.67 120.10 1fun s ASP 83 Ca 0.14 -0.59 0.18 0.00 0.71 0.00 0.00 52.55 53.00 1fun s ASP 83 Cb 0.18 -2.56 0.51 0.00 1.01 0.00 0.00 42.92 42.06 1fun s ASP 83 CO 0.49 -2.50 1.42 0.18 0.21 0.00 0.00 175.17 174.97 1fun n LEU 84 N 12.99 2.75 0.00 1.23 4.77 -0.86 -3.66 117.00 134.22 1fun n LEU 84 Ca 0.35 -1.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 1fun n LEU 84 Cb 0.48 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1fun n LEU 84 CO 0.63 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.95 1fun n GLY 85 N 1.34 0.54 3.04 -0.72 0.00 -1.11 -4.79 105.19 103.49 1fun n GLY 85 Ca 0.18 -1.05 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 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 1.10 0.06 1.61 0.01 -1.26 -0.96 114.94 111.50 1fun s ASN 86 Ca 0.00 -0.25 0.02 0.00 -0.71 0.00 0.00 52.86 51.92 1fun s ASN 86 Cb 0.00 -0.10 -0.04 0.00 0.41 0.00 0.00 41.25 41.52 1fun s ASN 86 CO 0.00 0.06 0.10 0.68 -1.51 0.00 0.00 177.10 176.43 1fun s VAL 87 N -0.43 4.68 -0.18 1.60 -7.23 -0.22 -4.87 120.40 113.75 1fun s VAL 87 Ca 0.02 -0.65 -0.02 0.00 -1.81 0.00 0.00 61.98 59.52 1fun s VAL 87 Cb -0.05 -3.24 -0.01 0.00 0.56 0.00 0.00 36.38 33.65 1fun s VAL 87 CO 0.00 0.17 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.97 1fun s THR 88 N -1.37 3.03 -0.20 5.32 2.01 -1.26 -1.13 115.64 122.04 1fun s THR 88 Ca 0.29 -0.63 -0.14 0.00 0.31 0.00 0.00 61.69 61.52 1fun s THR 88 Cb -0.12 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 1fun s THR 88 CO 0.21 0.48 0.33 0.00 -0.69 0.00 0.00 174.62 174.95 1fun s ALA 89 N 1.06 3.57 1.11 7.40 0.00 0.11 -4.39 121.76 130.63 1fun s ALA 89 Ca -0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 51.96 51.27 1fun s ALA 89 Cb -0.15 -2.52 0.15 0.00 0.00 0.00 0.00 23.12 20.60 1fun s ALA 89 CO -0.02 -0.19 0.58 -0.40 0.00 0.00 0.00 175.76 175.73 1fun n ASP 90 N 4.24 -1.31 0.27 0.00 5.68 -0.69 -0.38 116.55 124.36 1fun n ASP 90 Ca -0.10 -0.90 0.13 0.00 -0.50 0.00 0.00 54.79 53.42 1fun n ASP 90 Cb 0.51 -0.52 0.78 0.00 -1.14 0.00 0.00 41.12 40.75 1fun n ASP 90 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1fun h LYS 91 N 0.00 0.00 -0.00 0.11 6.56 -1.97 -1.28 116.57 120.00 1fun h LYS 91 Ca -0.21 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.38 1fun h LYS 91 Cb 0.64 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.30 1fun h LYS 91 CO 0.14 0.09 -0.06 -0.25 -2.06 0.00 0.00 179.45 177.31 1fun n ASP 92 N -3.67 0.40 0.00 0.86 8.00 -1.26 -4.85 116.55 116.04 1fun n ASP 92 Ca -0.02 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.81 1fun n ASP 92 Cb 0.20 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 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 1.22 1.53 3.80 0.44 0.00 -0.48 -4.78 105.19 106.93 1fun n GLY 93 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.42 4.50 -0.13 1.61 1.01 -1.26 -1.93 120.40 121.78 1fun s VAL 94 Ca 0.00 1.42 0.01 0.00 0.00 0.00 0.00 61.98 63.41 1fun s VAL 94 Cb 0.00 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.46 1fun s VAL 94 CO 0.00 0.29 -0.16 0.00 0.00 0.00 0.00 175.10 175.23 1fun s ALA 95 N -1.43 1.83 -0.49 5.51 0.00 0.93 -1.71 121.76 126.41 1fun s ALA 95 Ca 0.41 -0.84 -0.17 0.00 0.00 0.00 0.00 51.96 51.36 1fun s ALA 95 Cb -0.18 -0.93 0.06 0.00 0.00 0.00 0.00 23.12 22.07 1fun s ALA 95 CO 0.22 -0.18 0.50 -0.51 0.00 0.00 0.00 175.76 175.79 1fun s ASP 96 N 1.15 6.18 0.32 0.00 1.01 -1.26 -1.58 116.67 122.49 1fun s ASP 96 Ca -0.02 -1.13 -0.20 0.00 0.71 0.00 0.00 52.55 51.91 1fun s ASP 96 Cb -0.14 -2.23 -0.10 0.00 1.01 0.00 0.00 42.92 41.46 1fun s ASP 96 CO -0.05 -0.76 0.84 -0.69 0.21 0.00 0.00 175.17 174.72 1fun s VAL 97 N 2.10 4.46 -0.40 -1.27 1.01 0.80 -4.92 120.40 122.18 1fun s VAL 97 Ca 0.09 1.38 -0.01 0.00 0.00 0.00 0.00 61.98 63.44 1fun s VAL 97 Cb -0.22 -3.77 0.20 0.00 0.00 0.00 0.00 36.38 32.59 1fun s VAL 97 CO 0.09 -0.04 0.92 -0.55 0.00 0.00 0.00 175.10 175.53 1fun s SER 98 N -1.93 -0.79 0.43 3.32 0.15 -1.25 -2.46 113.70 111.17 1fun s SER 98 Ca 0.52 -0.77 0.08 0.00 0.70 0.00 0.00 55.95 56.48 1fun s SER 98 Cb -0.14 1.02 -0.01 0.00 -1.71 0.00 0.00 66.02 65.19 1fun s SER 98 CO 0.19 -0.05 0.41 -0.63 1.20 0.00 0.00 173.24 174.36 1fun s ILE 99 N 1.24 2.62 -0.08 6.45 1.01 0.36 -4.99 121.20 127.81 1fun s ILE 99 Ca 0.23 -1.31 -0.03 0.00 0.00 0.00 0.00 60.65 59.54 1fun s ILE 99 Cb 0.05 -2.92 0.04 0.00 0.01 0.00 0.00 42.46 39.64 1fun s ILE 99 CO -0.09 0.00 0.16 -0.70 0.00 0.00 0.00 174.94 174.31 1fun s GLU 100 N -4.18 0.10 0.04 2.79 2.12 -1.26 -2.17 118.70 116.15 1fun s GLU 100 Ca 0.48 0.43 0.00 0.00 0.36 0.00 0.00 54.97 56.25 1fun s GLU 100 Cb -0.04 -0.18 -0.03 0.00 0.26 0.00 0.00 34.13 34.14 1fun s GLU 100 CO 0.28 -0.19 -0.05 0.34 -0.54 0.00 0.00 175.26 175.11 1fun s ASP 101 N 1.38 0.55 -0.02 -1.70 2.15 0.21 -4.95 116.67 114.30 1fun s ASP 101 Ca -0.07 -0.69 0.02 0.00 0.43 0.00 0.00 52.55 52.24 1fun s ASP 101 Cb -0.12 0.11 -0.03 0.00 -0.30 0.00 0.00 42.92 42.58 1fun s ASP 101 CO -0.06 -0.37 0.02 -1.20 -0.17 0.00 0.00 175.17 173.39 1fun n SER 102 N 1.02 4.40 -0.08 -0.34 7.64 -1.26 0.88 113.62 125.87 1fun n SER 102 Ca -0.20 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.55 1fun n SER 102 Cb 0.57 0.66 -0.05 0.00 -1.01 0.00 0.00 64.21 64.38 1fun n SER 102 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1fun h VAL 103 N 0.00 1.31 -4.31 0.44 2.07 -1.94 -3.45 116.25 110.37 1fun h VAL 103 Ca -0.06 -1.46 -0.48 0.00 0.82 0.00 0.00 66.70 65.52 1fun h VAL 103 Cb 0.98 1.68 0.11 0.00 -1.52 0.00 0.00 31.29 32.53 1fun h VAL 103 CO 0.00 0.46 0.34 0.27 0.02 0.00 0.00 177.57 178.66 1fun s ILE 104 N -4.30 2.95 0.24 4.57 -4.36 -1.26 -4.93 121.20 114.11 1fun s ILE 104 Ca -0.13 0.31 -0.17 0.00 -0.26 0.00 0.00 60.65 60.40 1fun s ILE 104 Cb 0.08 -3.09 0.02 0.00 1.25 0.00 0.00 42.46 40.72 1fun s ILE 104 CO 0.82 -0.40 0.58 -0.55 0.24 0.00 0.00 174.94 175.63 1fun s SER 105 N -3.99 -0.22 -0.13 4.36 0.15 -0.46 -4.65 113.70 108.76 1fun s SER 105 Ca 0.61 -0.65 0.17 0.00 0.70 0.00 0.00 55.95 56.78 1fun s SER 105 Cb -0.14 0.63 0.69 0.00 -1.71 0.00 0.00 66.02 65.49 1fun s SER 105 CO 0.54 -1.18 1.60 0.18 1.20 0.00 0.00 173.24 175.58 1fun n LEU 106 N -0.40 4.71 -3.60 3.45 4.77 -1.26 -1.49 117.00 123.18 1fun n LEU 106 Ca -0.06 -2.56 -0.04 0.00 -0.03 0.00 0.00 56.01 53.33 1fun n LEU 106 Cb 0.61 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1fun n LEU 106 CO 0.18 0.76 0.93 -0.94 -1.33 0.00 0.00 177.39 176.99 1fun s SER 107 N -1.02 -0.17 0.00 -1.43 1.04 -1.26 -4.63 113.70 106.23 1fun s SER 107 Ca 0.49 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.85 1fun s SER 107 Cb 0.33 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1fun s SER 107 CO 0.21 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1fun n GLY 108 N -0.25 -1.83 1.49 7.32 0.00 -1.26 -3.89 105.19 106.76 1fun n GLY 108 Ca -0.04 -1.87 0.09 0.00 0.00 0.00 0.00 46.02 44.19 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 0.01 4.39 -0.58 1.61 9.92 -1.26 -3.30 116.55 127.34 1fun n ASP 109 Ca 0.00 -2.39 0.06 0.00 -0.53 0.00 0.00 54.79 51.93 1fun n ASP 109 Cb 0.00 -0.55 0.14 0.00 -0.64 0.00 0.00 41.12 40.07 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 1.06 0.00 -2.62 1.24 8.25 -1.26 -4.97 115.22 116.91 1fun n HIS 110 Ca 0.24 -1.08 -0.42 0.00 -0.26 0.00 0.00 57.72 56.20 1fun n HIS 110 Cb 0.82 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 31.71 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 -2.76 7.28 0.00 0.41 0.15 -1.21 -1.35 113.70 116.23 1fun s SER 111 Ca 0.32 1.78 0.25 0.00 0.70 0.00 0.00 55.95 59.01 1fun s SER 111 Cb 0.32 -2.57 0.55 0.00 -1.71 0.00 0.00 66.02 62.60 1fun s SER 111 CO -0.05 -0.32 1.43 2.30 1.20 0.00 0.00 173.24 177.81 1fun n ILE 112 N 3.84 0.00 -1.72 6.45 -5.35 -0.56 -4.91 119.36 117.11 1fun n ILE 112 Ca 0.07 -0.12 -0.42 0.00 -0.27 0.00 0.00 62.75 62.00 1fun n ILE 112 Cb 0.49 0.55 -0.03 0.00 -1.74 0.00 0.00 39.64 38.91 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 -0.72 0.23 -0.48 7.28 5.41 -1.26 -1.75 119.36 128.07 1fun n ILE 113 Ca 0.10 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1fun n ILE 113 Cb 0.36 -1.96 0.00 0.00 -0.71 0.00 0.00 39.64 37.33 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 3.55 0.75 3.69 7.39 0.00 0.29 -5.00 105.19 115.85 1fun n GLY 114 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1fun n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fun s ARG 115 N -0.52 2.22 -0.09 1.61 0.52 -0.72 -2.74 118.95 119.23 1fun s ARG 115 Ca 0.00 -1.68 -0.20 0.00 -0.52 0.00 0.00 55.73 53.33 1fun s ARG 115 Cb 0.00 -2.03 -0.04 0.00 0.52 0.00 0.00 34.95 33.39 1fun s ARG 115 CO 0.00 0.09 0.55 0.99 0.02 0.00 0.00 175.30 176.96 1fun s THR 116 N -2.49 5.12 0.07 0.02 2.01 -1.00 -0.15 115.64 119.22 1fun s THR 116 Ca 0.37 1.13 -0.10 0.00 0.31 0.00 0.00 61.69 63.39 1fun s THR 116 Cb -0.01 -3.89 -0.06 0.00 0.01 0.00 0.00 72.50 68.55 1fun s THR 116 CO 0.21 0.31 0.40 -0.22 -0.69 0.00 0.00 174.62 174.63 1fun s LEU 117 N 0.58 4.36 -0.03 4.42 2.96 0.35 0.30 118.68 131.62 1fun s LEU 117 Ca 0.30 0.80 -0.02 0.00 -0.22 0.00 0.00 54.13 54.99 1fun s LEU 117 Cb -0.16 -2.94 0.02 0.00 0.50 0.00 0.00 46.19 43.60 1fun s LEU 117 CO 0.13 0.19 0.08 -0.69 -1.32 0.00 0.00 176.35 174.74 1fun s VAL 118 N -1.37 -0.03 -0.17 1.68 1.01 -0.43 -2.32 120.40 118.77 1fun s VAL 118 Ca 0.32 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.36 1fun s VAL 118 Cb -0.14 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 1fun s VAL 118 CO 0.18 0.04 -0.01 0.54 0.00 0.00 0.00 175.10 175.84 1fun s VAL 119 N 0.59 4.10 0.62 2.92 0.11 -0.93 -2.31 120.40 125.49 1fun s VAL 119 Ca -0.05 -0.28 0.03 0.00 -2.93 0.00 0.00 61.98 58.75 1fun s VAL 119 Cb -0.06 -2.81 0.08 0.00 -1.53 0.00 0.00 36.38 32.06 1fun s VAL 119 CO -0.02 0.48 0.86 -1.00 -3.33 0.00 0.00 175.10 172.09 1fun s HIS 120 N 0.42 2.00 -0.00 1.54 3.76 0.42 -1.00 115.29 122.43 1fun s HIS 120 Ca -0.02 -0.30 -0.03 0.00 -0.15 0.00 0.00 55.06 54.56 1fun s HIS 120 Cb -0.14 -2.72 -0.01 0.00 1.11 0.00 0.00 32.58 30.82 1fun s HIS 120 CO 0.02 -1.26 0.51 1.49 -0.85 0.00 0.00 174.74 174.65 1fun h GLU 121 N -0.13 -0.09 0.00 1.40 4.81 0.22 -3.39 114.58 117.40 1fun h GLU 121 Ca -0.37 0.01 -0.43 0.00 -0.13 0.00 0.00 59.36 58.43 1fun h GLU 121 Cb 1.28 0.02 0.08 0.00 0.63 0.00 0.00 28.75 30.76 1fun h GLU 121 CO 0.44 -0.06 0.11 1.63 -0.73 0.00 0.00 179.01 180.39 1fun n LYS 122 N -2.48 -0.06 -2.63 1.92 5.02 0.29 -4.76 118.16 115.46 1fun n LYS 122 Ca -0.01 -2.54 -0.33 0.00 -2.02 0.00 0.00 58.31 53.40 1fun n LYS 122 Cb 0.04 -0.62 -0.05 0.00 -0.02 0.00 0.00 35.03 34.38 1fun n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fun s ALA 123 N -3.14 2.96 -0.17 7.82 0.00 -1.18 -1.52 121.76 126.52 1fun s ALA 123 Ca 0.62 0.46 -0.21 0.00 0.00 0.00 0.00 51.96 52.83 1fun s ALA 123 Cb -0.04 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 1fun s ALA 123 CO 0.41 -0.12 0.61 0.34 0.00 0.00 0.00 175.76 176.99 1fun s ASP 124 N -2.22 6.71 0.00 0.00 2.15 -1.26 -3.97 116.67 118.07 1fun s ASP 124 Ca 0.64 0.86 0.00 0.00 0.43 0.00 0.00 52.55 54.48 1fun s ASP 124 Cb -0.12 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1fun s ASP 124 CO 0.19 -0.21 0.52 -0.90 -0.17 0.00 0.00 175.17 174.59 1fun n ASP 125 N 4.70 1.18 -0.82 -0.34 5.68 0.64 -4.83 116.55 122.76 1fun n ASP 125 Ca -0.02 -1.79 -0.05 0.00 -0.50 0.00 0.00 54.79 52.42 1fun n ASP 125 Cb 0.50 -0.45 -0.02 0.00 -1.14 0.00 0.00 41.12 40.01 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 0.13 -0.25 0.00 -2.12 4.77 -1.26 -0.13 117.00 118.14 1fun n LEU 126 Ca 0.00 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1fun n LEU 126 Cb 0.26 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 1fun n LEU 126 CO 0.00 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.29 1fun n GLY 127 N 0.02 3.15 1.12 -0.72 0.00 -1.25 -2.57 105.19 104.94 1fun n GLY 127 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 1.81 0.22 1.61 5.02 0.81 -3.89 118.16 121.74 1fun n LYS 128 Ca 0.00 -0.92 0.12 0.00 -2.02 0.00 0.00 58.31 55.49 1fun n LYS 128 Cb 0.00 -1.56 0.22 0.00 -0.02 0.00 0.00 35.03 33.67 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 3.98 0.00 0.00 0.72 0.00 -1.87 -3.48 103.07 102.42 1fun h GLY 129 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1fun h GLY 129 CO 0.23 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.38 1fun n GLY 130 N 1.03 1.59 3.62 4.60 0.00 -1.25 -4.98 105.19 109.80 1fun n GLY 130 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.29 3.95 0.08 1.61 2.20 -1.26 -5.01 114.94 113.21 1fun s ASN 131 Ca 0.00 -1.24 -0.16 0.00 -0.94 0.00 0.00 52.86 50.53 1fun s ASN 131 Cb 0.00 -0.41 -0.04 0.00 -2.00 0.00 0.00 41.25 38.80 1fun s ASN 131 CO 0.00 -0.37 1.20 1.21 -2.94 0.00 0.00 177.10 176.20 1fun n GLU 132 N -0.95 -0.22 -0.34 3.55 2.13 -1.26 -0.02 120.64 123.53 1fun n GLU 132 Ca -0.04 1.18 0.17 0.00 0.66 0.00 0.00 57.16 59.13 1fun n GLU 132 Cb 0.65 -1.75 0.38 0.00 0.27 0.00 0.00 31.44 30.99 1fun n GLU 132 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1fun h GLU 133 N 0.00 0.50 -0.82 5.31 4.39 -1.98 -1.02 114.58 120.96 1fun h GLU 133 Ca 0.08 -0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.84 1fun h GLU 133 Cb 0.21 -0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 28.67 1fun h GLU 133 CO -0.47 0.33 0.47 1.03 -1.16 0.00 0.00 179.01 179.21 1fun h SER 134 N 0.52 0.68 0.72 1.42 0.87 -0.78 0.52 113.55 117.49 1fun h SER 134 Ca 0.64 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 61.24 1fun h SER 134 Cb 1.25 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1fun h SER 134 CO -0.50 0.40 -0.14 0.35 -0.53 0.00 0.00 176.83 176.41 1fun n THR 135 N -4.73 0.00 0.00 2.23 -2.24 -0.42 -1.89 114.28 107.23 1fun n THR 135 Ca 0.13 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1fun n THR 135 Cb 0.26 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 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 -1.37 0.00 0.00 -0.78 1.02 -0.30 -0.28 120.64 118.93 1fun n GLU 136 Ca 0.09 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.34 1fun n GLU 136 Cb 0.32 -0.39 -0.00 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 -2.36 0.00 -2.02 2.62 -2.24 0.17 -4.53 114.28 105.92 1fun n THR 137 Ca 0.00 -0.10 -0.17 0.00 -2.27 0.00 0.00 64.05 61.51 1fun n THR 137 Cb 0.00 0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 69.17 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 1.46 0.40 3.63 3.38 0.00 -0.30 -3.10 105.19 110.66 1fun n GLY 138 Ca 0.07 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.02 -2.97 0.00 1.61 4.13 -1.24 -0.26 115.26 115.51 1fun n ASN 139 Ca -0.19 -0.55 0.08 0.00 1.68 0.00 0.00 54.58 55.60 1fun n ASN 139 Cb 0.61 -2.49 0.34 0.00 -1.54 0.00 0.00 39.78 36.70 1fun n ASN 139 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1fun n ALA 140 N -3.65 1.74 0.00 5.41 0.00 -1.18 -4.72 120.51 118.10 1fun n ALA 140 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1fun n ALA 140 Cb 0.51 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 0.13 -1.81 3.76 0.00 0.00 -1.26 0.11 105.19 106.11 1fun n GLY 141 Ca 0.04 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 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 4.38 -0.43 1.61 1.04 -1.26 -4.47 113.70 110.58 1fun s SER 142 Ca 0.00 1.87 -0.25 0.00 0.48 0.00 0.00 55.95 58.05 1fun s SER 142 Cb 0.00 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.61 1fun s SER 142 CO 0.00 -2.12 0.90 -0.13 0.98 0.00 0.00 173.24 172.87 1fun s ARG 143 N -4.84 3.63 -0.00 4.02 0.52 -1.26 0.57 118.95 121.59 1fun s ARG 143 Ca 0.62 0.27 -0.20 0.00 -0.52 0.00 0.00 55.73 55.90 1fun s ARG 143 Cb -0.18 -3.88 -0.26 0.00 0.52 0.00 0.00 34.95 31.15 1fun s ARG 143 CO 0.55 -1.10 1.05 -0.07 0.02 0.00 0.00 175.30 175.75 1fun h LEU 144 N 10.31 0.57 -7.68 2.53 3.38 -1.34 -3.48 115.31 119.60 1fun h LEU 144 Ca -0.24 -0.82 -0.09 0.00 0.09 0.00 0.00 57.88 56.83 1fun h LEU 144 Cb 1.08 -0.18 -0.15 0.00 0.09 0.00 0.00 40.66 41.50 1fun h LEU 144 CO 1.00 1.32 -0.31 0.00 0.09 0.00 0.00 178.44 180.53 1fun s ALA 145 N -2.99 -0.45 0.28 1.53 0.00 -1.19 -4.27 121.76 114.68 1fun s ALA 145 Ca -0.13 -0.32 -0.14 0.00 0.00 0.00 0.00 51.96 51.37 1fun s ALA 145 Cb 0.03 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.58 1fun s ALA 145 CO 0.84 -0.46 0.58 0.00 0.00 0.00 0.00 175.76 176.72 1fun s GLY 147 N -3.02 -0.41 -0.04 0.00 0.00 -0.98 -0.50 107.32 102.37 1fun s GLY 147 Ca 0.20 1.67 -0.21 0.00 0.00 0.00 0.00 44.72 46.37 1fun s GLY 147 CO 0.10 0.96 0.63 0.14 0.00 0.00 0.00 173.10 174.92 1fun s VAL 148 N -1.27 4.99 -0.11 1.40 1.01 -1.26 -0.49 120.40 124.66 1fun s VAL 148 Ca -0.05 1.30 -0.30 0.00 0.00 0.00 0.00 61.98 62.93 1fun s VAL 148 Cb -0.00 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 1fun s VAL 148 CO 0.04 0.34 1.11 -0.63 0.00 0.00 0.00 175.10 175.96 1fun s ILE 149 N 0.28 4.53 0.20 2.22 1.01 0.79 -4.57 121.20 125.66 1fun s ILE 149 Ca 0.33 1.82 0.07 0.00 0.00 0.00 0.00 60.65 62.87 1fun s ILE 149 Cb -0.18 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 1fun s ILE 149 CO 0.17 -0.04 -0.12 -0.83 0.00 0.00 0.00 174.94 174.12 1fun s GLY 150 N 1.34 1.41 -0.04 6.18 0.00 -0.43 -0.55 107.32 115.23 1fun s GLY 150 Ca 0.51 -1.66 -0.30 0.00 0.00 0.00 0.00 44.72 43.27 1fun s GLY 150 CO 0.17 -1.73 1.66 -0.42 0.00 0.00 0.00 173.10 172.79 1fun s ILE 151 N -3.08 3.51 0.17 0.90 1.01 -1.26 -0.88 121.20 121.56 1fun s ILE 151 Ca 0.22 0.66 0.03 0.00 0.00 0.00 0.00 60.65 61.57 1fun s ILE 151 Cb 0.01 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 1fun s ILE 151 CO 0.06 -0.05 0.27 0.00 0.00 0.00 0.00 174.94 175.22 1fun s ALA 152 N 3.89 3.89 -2.04 9.38 0.00 -0.62 -4.83 121.76 131.43 1fun s ALA 152 Ca 0.74 -1.11 0.32 0.00 0.00 0.00 0.00 51.96 51.91 1fun s ALA 152 Cb -0.34 -1.69 1.83 0.00 0.00 0.00 0.00 23.12 22.92 1fun s ALA 152 CO 0.30 0.47 2.19 0.94 0.00 0.00 0.00 175.76 179.67