#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fun h THR 2 N 0.00 1.12 -3.86 0.00 2.02 -1.86 -3.43 112.91 106.90 1fun h THR 2 Ca 0.00 -0.96 -0.14 0.00 0.77 0.00 0.00 66.41 66.08 1fun h THR 2 Cb 0.00 1.53 -0.18 0.00 -1.74 0.00 0.00 68.15 67.75 1fun h THR 2 CO 0.00 0.27 -0.58 -0.75 0.37 0.00 0.00 175.52 174.83 1fun s LYS 3 N -4.34 0.52 0.29 6.66 2.20 -1.26 0.06 119.74 123.87 1fun s LYS 3 Ca -0.03 -0.74 -0.03 0.00 -0.36 0.00 0.00 55.97 54.82 1fun s LYS 3 Cb 0.15 0.20 0.01 0.00 -1.51 0.00 0.00 37.83 36.68 1fun s LYS 3 CO 0.70 -0.12 0.42 0.00 -0.36 0.00 0.00 175.35 175.99 1fun n ALA 4 N 0.95 -0.39 -3.51 3.13 0.00 -1.10 -2.50 120.51 117.09 1fun n ALA 4 Ca -0.20 -1.29 -0.11 0.00 0.00 0.00 0.00 53.44 51.84 1fun n ALA 4 Cb 0.58 1.04 -0.03 0.00 0.00 0.00 0.00 19.45 21.04 1fun n ALA 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fun s VAL 5 N -2.70 0.00 -0.13 0.00 0.11 -0.92 -2.67 120.40 114.09 1fun s VAL 5 Ca 0.23 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.22 1fun s VAL 5 Cb -0.01 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.90 1fun s VAL 5 CO 0.16 0.00 0.29 0.00 -3.33 0.00 0.00 175.10 172.22 1fun s ALA 6 N -2.52 -0.68 -0.51 1.54 0.00 -0.39 -1.46 121.76 117.74 1fun s ALA 6 Ca 0.01 1.10 -0.16 0.00 0.00 0.00 0.00 51.96 52.91 1fun s ALA 6 Cb -0.01 -0.87 0.10 0.00 0.00 0.00 0.00 23.12 22.34 1fun s ALA 6 CO -0.05 -0.41 0.46 0.08 0.00 0.00 0.00 175.76 175.85 1fun s VAL 7 N 1.80 5.20 0.30 0.00 1.01 -1.26 -0.34 120.40 127.11 1fun s VAL 7 Ca -0.05 -1.26 -0.29 0.00 0.00 0.00 0.00 61.98 60.38 1fun s VAL 7 Cb -0.11 -4.25 -0.10 0.00 0.00 0.00 0.00 36.38 31.93 1fun s VAL 7 CO -0.10 -0.74 1.27 -0.76 0.00 0.00 0.00 175.10 174.78 1fun s LEU 8 N 1.68 4.45 0.12 3.92 1.43 0.27 -4.47 118.68 126.07 1fun s LEU 8 Ca 0.04 2.57 -0.16 0.00 -1.03 0.00 0.00 54.13 55.55 1fun s LEU 8 Cb -0.27 -3.64 0.04 0.00 0.03 0.00 0.00 46.19 42.35 1fun s LEU 8 CO 0.05 -0.47 0.40 -0.75 0.23 0.00 0.00 176.35 175.81 1fun s LYS 9 N -1.45 1.06 0.07 1.70 2.20 -0.18 -2.84 119.74 120.30 1fun s LYS 9 Ca 0.50 -0.69 -0.12 0.00 -0.36 0.00 0.00 55.97 55.30 1fun s LYS 9 Cb -0.38 0.47 0.04 0.00 -1.51 0.00 0.00 37.83 36.45 1fun s LYS 9 CO 0.48 -0.41 0.55 0.41 -0.36 0.00 0.00 175.35 176.02 1fun n GLY 10 N -0.19 0.82 0.21 5.54 0.00 -1.26 -0.98 105.19 109.34 1fun n GLY 10 Ca -0.16 -1.01 0.13 0.00 0.00 0.00 0.00 46.02 44.97 1fun n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1fun h ASP 11 N 1.00 0.00 -3.82 1.61 3.32 -1.91 -3.46 116.42 113.16 1fun h ASP 11 Ca -0.13 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.71 1fun h ASP 11 Cb 0.60 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.21 1fun h ASP 11 CO 0.18 0.00 0.10 0.61 -1.72 0.00 0.00 179.24 178.41 1fun n GLY 12 N 1.03 0.03 0.07 2.75 0.00 -1.26 -4.98 105.19 102.84 1fun n GLY 12 Ca 0.04 -1.89 0.12 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.01 0.15 -1.66 1.61 -0.04 -1.26 -4.84 135.00 126.95 1fun n PRO 13 Ca 0.08 0.23 -0.47 0.00 -0.04 0.00 0.00 63.50 63.30 1fun n PRO 13 Cb 0.27 -1.71 -0.04 0.00 -0.04 0.00 0.00 33.50 31.98 1fun n PRO 13 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1fun n VAL 14 N -1.98 0.07 -3.59 0.52 0.31 -1.25 -4.50 118.33 107.91 1fun n VAL 14 Ca 0.05 -0.01 -0.07 0.00 -0.01 0.00 0.00 64.34 64.29 1fun n VAL 14 Cb 0.32 -1.51 -0.04 0.00 -0.91 0.00 0.00 33.84 31.70 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 1.28 0.43 0.00 5.55 -2.07 -0.78 -4.01 119.66 120.06 1fun s GLN 15 Ca 0.81 -0.01 0.00 0.00 -1.82 0.00 0.00 55.36 54.35 1fun s GLN 15 Cb -0.71 0.20 0.00 0.00 -1.09 0.00 0.00 33.01 31.41 1fun s GLN 15 CO 0.41 -0.16 0.00 0.41 -1.32 0.00 0.00 175.29 174.63 1fun n GLY 16 N 0.35 1.74 3.58 2.60 0.00 -1.13 0.66 105.19 112.99 1fun n GLY 16 Ca -0.05 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 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 3.92 -0.16 -0.61 1.01 -1.18 0.93 121.20 123.11 1fun s ILE 17 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1fun s ILE 17 Cb 0.00 -2.65 0.03 0.00 0.01 0.00 0.00 42.46 39.85 1fun s ILE 17 CO 0.00 0.56 -0.09 -0.63 0.00 0.00 0.00 174.94 174.78 1fun s ILE 18 N -0.40 1.32 0.36 2.92 -1.09 0.54 -3.17 121.20 121.68 1fun s ILE 18 Ca 0.06 -0.64 -0.06 0.00 -2.23 0.00 0.00 60.65 57.78 1fun s ILE 18 Cb -0.12 -1.37 -0.05 0.00 -1.58 0.00 0.00 42.46 39.33 1fun s ILE 18 CO 0.02 0.27 0.66 0.20 -1.23 0.00 0.00 174.94 174.87 1fun s ASN 19 N 1.56 6.43 0.06 3.58 0.01 0.74 -1.27 114.94 126.06 1fun s ASN 19 Ca 0.02 0.87 0.01 0.00 -0.71 0.00 0.00 52.86 53.05 1fun s ASN 19 Cb -0.14 -2.21 -0.04 0.00 0.41 0.00 0.00 41.25 39.27 1fun s ASN 19 CO -0.09 -0.33 -0.05 -0.36 -1.51 0.00 0.00 177.10 174.76 1fun s PHE 20 N -2.30 0.62 -0.28 2.20 0.40 -1.09 -1.69 117.98 115.84 1fun s PHE 20 Ca 0.47 -0.85 -0.24 0.00 -0.60 0.00 0.00 56.93 55.71 1fun s PHE 20 Cb -0.10 -0.40 0.10 0.00 0.51 0.00 0.00 43.02 43.13 1fun s PHE 20 CO 0.33 -0.23 0.90 -2.00 0.70 0.00 0.00 175.22 174.92 1fun s GLU 21 N -3.14 0.64 -0.03 0.44 2.12 -1.18 -2.70 118.70 114.83 1fun s GLU 21 Ca 0.02 0.78 -0.01 0.00 0.36 0.00 0.00 54.97 56.12 1fun s GLU 21 Cb 0.02 0.30 0.03 0.00 0.26 0.00 0.00 34.13 34.74 1fun s GLU 21 CO -0.05 -0.08 0.04 -1.14 -0.54 0.00 0.00 175.26 173.49 1fun s GLN 22 N 0.37 -0.03 -0.08 4.30 0.74 0.11 -0.93 119.66 124.14 1fun s GLN 22 Ca 0.01 0.28 -0.26 0.00 0.05 0.00 0.00 55.36 55.44 1fun s GLN 22 Cb -0.05 -0.42 -0.24 0.00 1.10 0.00 0.00 33.01 33.40 1fun s GLN 22 CO -0.04 -0.26 0.97 0.87 -0.55 0.00 0.00 175.29 176.28 1fun h LYS 23 N 7.93 0.08 -4.64 1.67 6.56 -1.82 -3.42 116.57 122.93 1fun h LYS 23 Ca -0.27 -0.10 -0.32 0.00 -1.06 0.00 0.00 60.65 58.90 1fun h LYS 23 Cb 1.12 0.03 -0.24 0.00 -0.57 0.00 0.00 32.23 32.57 1fun h LYS 23 CO 0.30 0.89 -0.75 -1.83 -2.06 0.00 0.00 179.45 176.00 1fun s GLU 24 N -2.95 0.57 0.55 3.15 -1.05 -1.26 -5.01 118.70 112.70 1fun s GLU 24 Ca -0.17 -0.61 0.29 0.00 -0.15 0.00 0.00 54.97 54.34 1fun s GLU 24 Cb -0.00 -0.44 1.58 0.00 -0.44 0.00 0.00 34.13 34.83 1fun s GLU 24 CO 0.71 0.10 2.12 0.66 0.95 0.00 0.00 175.26 179.81 1fun h SER 25 N 4.98 0.00 0.54 0.83 4.64 -1.97 0.41 113.55 122.99 1fun h SER 25 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1fun h SER 25 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1fun h SER 25 CO 0.44 0.08 0.00 -0.46 -0.87 0.00 0.00 176.83 176.02 1fun n ASN 26 N -3.60 0.00 -4.94 4.97 6.94 -1.26 -4.83 115.26 112.54 1fun n ASN 26 Ca -0.02 -0.16 -0.27 0.00 -0.02 0.00 0.00 54.58 54.10 1fun n ASN 26 Cb 0.20 -0.28 -0.03 0.00 -2.36 0.00 0.00 39.78 37.31 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 -2.55 1.82 0.86 4.83 0.00 0.14 -5.10 107.32 107.32 1fun s GLY 27 Ca 0.29 -0.97 -0.11 0.00 0.00 0.00 0.00 44.72 43.92 1fun s GLY 27 CO 0.45 -0.96 1.16 2.56 0.00 0.00 0.00 173.10 176.31 1fun s PRO 28 N -3.08 1.40 -0.24 2.90 0.04 -1.26 -4.71 135.00 130.05 1fun s PRO 28 Ca 0.35 1.59 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 1fun s PRO 28 Cb -0.11 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 1fun s PRO 28 CO 0.28 -2.36 0.24 0.08 0.04 0.00 0.00 177.00 175.28 1fun s VAL 29 N -2.49 5.30 -0.73 -0.36 1.01 0.28 -4.47 120.40 118.94 1fun s VAL 29 Ca 0.68 0.32 -0.21 0.00 0.00 0.00 0.00 61.98 62.78 1fun s VAL 29 Cb -0.24 -3.57 0.10 0.00 0.00 0.00 0.00 36.38 32.66 1fun s VAL 29 CO 0.55 0.29 0.96 -0.75 0.00 0.00 0.00 175.10 176.14 1fun s LYS 30 N 1.36 3.25 -0.45 2.72 2.20 -0.10 -1.18 119.74 127.54 1fun s LYS 30 Ca 0.10 -1.24 -0.22 0.00 -0.36 0.00 0.00 55.97 54.26 1fun s LYS 30 Cb -0.14 -4.45 0.03 0.00 -1.51 0.00 0.00 37.83 31.75 1fun s LYS 30 CO 0.07 -1.74 0.72 0.08 -0.36 0.00 0.00 175.35 174.12 1fun s VAL 31 N 3.31 4.73 0.18 4.02 1.01 -0.64 -3.13 120.40 129.88 1fun s VAL 31 Ca 0.23 0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.45 1fun s VAL 31 Cb -0.15 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 1fun s VAL 31 CO 0.03 -0.67 0.14 -1.66 0.00 0.00 0.00 175.10 172.93 1fun s TRP 32 N 3.08 1.00 -3.56 5.22 -2.14 -0.68 0.46 118.94 122.31 1fun s TRP 32 Ca 0.26 -1.28 0.00 0.00 2.66 0.00 0.00 56.10 57.75 1fun s TRP 32 Cb -0.13 -0.47 0.00 0.00 -3.10 0.00 0.00 33.47 29.77 1fun s TRP 32 CO 0.21 -0.63 0.00 0.41 -2.66 0.00 0.00 176.95 174.28 1fun n GLY 33 N -0.22 0.36 3.53 3.67 0.00 -0.39 -0.18 105.19 111.96 1fun n GLY 33 Ca -0.01 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.67 0.23 1.61 1.04 -1.19 -0.57 113.70 110.15 1fun s SER 34 Ca 0.00 1.27 0.07 0.00 0.48 0.00 0.00 55.95 57.77 1fun s SER 34 Cb 0.00 1.27 -0.04 0.00 0.10 0.00 0.00 66.02 67.36 1fun s SER 34 CO 0.00 -0.22 0.12 -0.63 0.98 0.00 0.00 173.24 173.49 1fun s ILE 35 N 0.43 4.17 0.07 -1.02 1.01 0.73 -3.12 121.20 123.47 1fun s ILE 35 Ca -0.01 -1.46 0.02 0.00 0.00 0.00 0.00 60.65 59.20 1fun s ILE 35 Cb -0.04 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 1fun s ILE 35 CO -0.01 -0.29 -0.07 -0.75 0.00 0.00 0.00 174.94 173.82 1fun s LYS 36 N -3.59 0.69 -1.11 2.79 2.20 0.21 -1.50 119.74 119.44 1fun s LYS 36 Ca 0.32 -1.08 -0.03 0.00 -0.36 0.00 0.00 55.97 54.82 1fun s LYS 36 Cb -0.08 -0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.01 1fun s LYS 36 CO 0.23 0.01 0.43 0.41 -0.36 0.00 0.00 175.35 176.06 1fun n GLY 37 N 0.62 -0.17 3.96 5.54 0.00 -1.18 -1.87 105.19 112.08 1fun n GLY 37 Ca -0.17 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.86 3.84 0.13 0.99 1.43 0.24 -3.98 118.68 116.48 1fun s LEU 38 Ca 0.21 0.25 -0.28 0.00 -1.03 0.00 0.00 54.13 53.28 1fun s LEU 38 Cb -0.09 -3.13 -0.07 0.00 0.03 0.00 0.00 46.19 42.93 1fun s LEU 38 CO 0.26 -0.50 0.88 0.42 0.23 0.00 0.00 176.35 177.64 1fun s THR 39 N -2.39 4.45 -0.11 5.49 -4.23 -1.26 -3.70 115.64 113.89 1fun s THR 39 Ca 0.45 1.91 -0.37 0.00 -1.18 0.00 0.00 61.69 62.50 1fun s THR 39 Cb -0.10 -4.25 -0.14 0.00 1.34 0.00 0.00 72.50 69.35 1fun s THR 39 CO 0.36 0.40 1.70 -1.84 -0.54 0.00 0.00 174.62 174.69 1fun n GLU 40 N 2.36 1.59 -0.29 3.99 0.28 -1.26 -4.50 120.64 122.82 1fun n GLU 40 Ca -0.01 0.58 0.00 0.00 -0.16 0.00 0.00 57.16 57.57 1fun n GLU 40 Cb 0.49 -2.32 0.00 0.00 1.43 0.00 0.00 31.44 31.04 1fun n GLU 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1fun n GLY 41 N 3.89 0.85 3.84 -1.84 0.00 0.85 -4.93 105.19 107.85 1fun n GLY 41 Ca 0.23 -1.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.05 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 4.35 -0.01 0.99 1.43 -1.26 0.92 118.68 125.10 1fun s LEU 42 Ca 0.00 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 1fun s LEU 42 Cb 0.00 -3.23 0.01 0.00 0.03 0.00 0.00 46.19 43.00 1fun s LEU 42 CO 0.00 0.12 -0.01 -1.00 0.23 0.00 0.00 176.35 175.69 1fun s HIS 43 N -1.44 0.18 0.30 0.29 3.76 0.84 -2.30 115.29 116.92 1fun s HIS 43 Ca 0.37 0.00 -0.29 0.00 -0.15 0.00 0.00 55.06 54.99 1fun s HIS 43 Cb -0.15 -0.20 -0.13 0.00 1.11 0.00 0.00 32.58 33.21 1fun s HIS 43 CO 0.19 -0.05 1.28 0.41 -0.85 0.00 0.00 174.74 175.72 1fun n GLY 44 N 3.49 0.50 2.61 -2.22 0.00 0.11 -1.46 105.19 108.22 1fun n GLY 44 Ca -0.18 0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.76 0.59 0.06 1.61 5.36 0.23 -0.33 117.98 124.74 1fun s PHE 45 Ca 0.60 -0.89 0.02 0.00 -0.96 0.00 0.00 56.93 55.70 1fun s PHE 45 Cb -0.62 -1.00 -0.03 0.00 -0.34 0.00 0.00 43.02 41.03 1fun s PHE 45 CO 0.58 -0.74 -0.07 -1.01 -1.46 0.00 0.00 175.22 172.52 1fun s HIS 46 N 2.00 0.72 -0.24 10.12 3.76 -1.02 -1.29 115.29 129.34 1fun s HIS 46 Ca 0.06 -0.65 -0.11 0.00 -0.15 0.00 0.00 55.06 54.21 1fun s HIS 46 Cb -0.16 -0.43 -0.05 0.00 1.11 0.00 0.00 32.58 33.05 1fun s HIS 46 CO -0.26 -0.12 0.20 0.08 -0.85 0.00 0.00 174.74 173.79 1fun s VAL 47 N -2.16 5.33 0.21 -0.90 1.01 0.16 -1.67 120.40 122.37 1fun s VAL 47 Ca -0.03 0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.19 1fun s VAL 47 Cb -0.05 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.84 1fun s VAL 47 CO -0.02 0.31 0.28 1.41 0.00 0.00 0.00 175.10 177.09 1fun n HIS 48 N 4.49 -3.28 0.08 5.22 8.25 -0.55 0.10 115.22 129.53 1fun n HIS 48 Ca -0.14 -0.49 -0.23 0.00 -0.26 0.00 0.00 57.72 56.60 1fun n HIS 48 Cb 0.52 -0.21 -0.15 0.00 1.12 0.00 0.00 29.99 31.27 1fun n HIS 48 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1fun h GLU 49 N 0.00 0.41 -5.67 -0.41 4.81 0.47 -3.25 114.58 110.93 1fun h GLU 49 Ca -0.09 -0.70 -0.66 0.00 -0.13 0.00 0.00 59.36 57.77 1fun h GLU 49 Cb 0.34 0.26 -0.22 0.00 0.63 0.00 0.00 28.75 29.76 1fun h GLU 49 CO 0.10 1.34 -0.71 -0.06 -0.73 0.00 0.00 179.01 178.95 1fun s PHE 50 N -2.56 2.92 -0.84 0.92 0.08 -0.07 -4.75 117.98 113.68 1fun s PHE 50 Ca -0.15 -0.26 -0.02 0.00 0.12 0.00 0.00 56.93 56.61 1fun s PHE 50 Cb 0.05 -1.82 0.28 0.00 -0.57 0.00 0.00 43.02 40.96 1fun s PHE 50 CO 0.86 0.06 2.14 0.41 -0.10 0.00 0.00 175.22 178.60 1fun n GLY 51 N 2.99 5.42 3.14 4.36 0.00 -0.96 -2.68 105.19 117.46 1fun n GLY 51 Ca -0.18 -2.38 -0.34 0.00 0.00 0.00 0.00 46.02 43.13 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 -0.81 4.58 -0.26 1.61 -1.08 -1.26 -4.82 116.67 114.62 1fun s ASP 52 Ca 0.51 -1.23 0.12 0.00 -0.52 0.00 0.00 52.55 51.43 1fun s ASP 52 Cb 0.37 -1.64 0.57 0.00 -1.46 0.00 0.00 42.92 40.77 1fun s ASP 52 CO -0.32 -0.20 1.54 0.59 0.52 0.00 0.00 175.17 177.29 1fun n ASN 53 N 4.56 3.60 -0.14 -0.34 5.03 -1.26 -3.39 115.26 123.33 1fun n ASN 53 Ca -0.14 -3.34 -0.04 0.00 0.87 0.00 0.00 54.58 51.92 1fun n ASN 53 Cb 0.44 -0.63 0.02 0.00 -1.02 0.00 0.00 39.78 38.59 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 1.66 0.52 -0.78 3.41 1.35 -1.93 0.12 112.91 117.27 1fun h THR 54 Ca 0.16 0.00 -0.49 0.00 -0.55 0.00 0.00 66.41 65.53 1fun h THR 54 Cb 1.77 0.52 -0.27 0.00 -1.73 0.00 0.00 68.15 68.44 1fun h THR 54 CO 0.43 0.00 0.25 0.00 -0.25 0.00 0.00 175.52 175.95 1fun n ALA 55 N -2.81 5.40 -0.14 6.62 0.00 -1.26 -5.05 120.51 123.28 1fun n ALA 55 Ca 0.03 -3.33 0.00 0.00 0.00 0.00 0.00 53.44 50.14 1fun n ALA 55 Cb 0.25 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.99 0.10 0.22 0.00 0.00 0.42 -3.80 105.19 101.15 1fun n GLY 56 Ca 0.51 -0.98 -0.01 0.00 0.00 0.00 0.00 46.02 45.53 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 0.27 0.47 0.00 0.00 2.02 -1.91 0.55 112.91 114.31 1fun h THR 58 Ca 0.04 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1fun h THR 58 Cb 0.68 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1fun h THR 58 CO 0.05 0.04 0.04 -1.20 0.37 0.00 0.00 175.52 174.82 1fun n SER 59 N -5.21 0.44 0.22 4.18 7.64 -1.13 -0.76 113.62 119.00 1fun n SER 59 Ca 0.14 0.69 0.15 0.00 1.01 0.00 0.00 58.87 60.86 1fun n SER 59 Cb 0.46 -0.73 0.62 0.00 -1.01 0.00 0.00 64.21 63.55 1fun n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fun h ALA 60 N 1.88 1.00 -0.56 -0.43 0.00 0.11 -3.41 119.26 117.86 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 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1fun h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1fun n GLY 61 N -0.02 1.43 3.92 0.00 0.00 0.06 -0.89 105.19 109.68 1fun n GLY 61 Ca 0.01 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 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 1.44 0.24 1.61 0.04 -1.26 -4.72 135.00 132.35 1fun s PRO 62 Ca 0.00 -0.17 -0.30 0.00 0.04 0.00 0.00 61.00 60.57 1fun s PRO 62 Cb 0.00 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 1fun s PRO 62 CO 0.00 -1.89 1.34 -1.01 0.04 0.00 0.00 177.00 175.48 1fun s HIS 63 N -3.66 3.17 -0.18 0.56 3.76 -1.26 0.66 115.29 118.34 1fun s HIS 63 Ca 0.67 1.21 -0.34 0.00 -0.15 0.00 0.00 55.06 56.45 1fun s HIS 63 Cb -0.08 -3.67 -0.11 0.00 1.11 0.00 0.00 32.58 29.83 1fun s HIS 63 CO 0.50 -2.06 1.99 0.34 -0.85 0.00 0.00 174.74 174.66 1fun n PHE 64 N 2.20 2.11 -3.12 1.40 7.35 0.11 -4.49 117.46 123.03 1fun n PHE 64 Ca 0.05 0.07 -0.21 0.00 -0.76 0.00 0.00 57.45 56.60 1fun n PHE 64 Cb 0.42 -2.63 -0.05 0.00 0.35 0.00 0.00 39.48 37.57 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 7.95 -0.41 -0.13 -2.13 5.15 -1.26 -1.04 115.26 123.39 1fun n ASN 65 Ca 0.28 -2.79 -0.05 0.00 -0.60 0.00 0.00 54.58 51.42 1fun n ASN 65 Cb 0.29 -0.19 0.04 0.00 -0.53 0.00 0.00 39.78 39.39 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 4.05 0.30 0.00 1.20 0.13 -1.97 -1.38 132.00 134.33 1fun h PRO 66 Ca 0.04 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1fun h PRO 66 Cb 0.91 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1fun h PRO 66 CO 0.43 0.20 0.00 1.28 -0.23 0.00 0.00 178.00 179.68 1fun n LEU 67 N -5.02 0.00 -2.15 1.56 4.77 -1.26 -4.82 117.00 110.08 1fun n LEU 67 Ca 0.03 0.17 -0.21 0.00 -0.03 0.00 0.00 56.01 55.98 1fun n LEU 67 Cb 0.17 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1fun n LEU 67 CO 0.25 -0.10 -0.25 -0.24 -1.33 0.00 0.00 177.39 175.73 1fun n SER 68 N -1.17 -5.77 -3.76 -1.43 2.88 -0.52 -4.98 113.62 98.88 1fun n SER 68 Ca 0.07 0.12 -0.30 0.00 -1.33 0.00 0.00 58.87 57.43 1fun n SER 68 Cb 0.08 -4.85 0.24 0.00 -0.75 0.00 0.00 64.21 58.92 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 -4.70 -0.89 0.60 -1.46 1.81 -1.26 -5.07 118.95 107.98 1fun s ARG 69 Ca 0.00 -0.29 0.07 0.00 -1.72 0.00 0.00 55.73 53.80 1fun s ARG 69 Cb 0.00 -1.66 0.09 0.00 -0.45 0.00 0.00 34.95 32.94 1fun s ARG 69 CO 0.00 -3.45 0.83 -1.59 -0.68 0.00 0.00 175.30 170.41 1fun s LYS 70 N -5.65 2.18 1.04 3.54 -2.85 -1.26 -4.72 119.74 112.03 1fun s LYS 70 Ca 0.73 -1.52 -0.13 0.00 -1.00 0.00 0.00 55.97 54.06 1fun s LYS 70 Cb -0.06 -2.58 0.21 0.00 -2.06 0.00 0.00 37.83 33.34 1fun s LYS 70 CO 0.55 -0.97 1.08 -1.58 0.10 0.00 0.00 175.35 174.53 1fun s HIS 71 N -2.76 1.94 0.00 1.78 5.65 0.35 -2.09 115.29 120.15 1fun s HIS 71 Ca 0.63 1.00 0.00 0.00 0.25 0.00 0.00 55.06 56.93 1fun s HIS 71 Cb -0.06 -3.24 0.00 0.00 -1.18 0.00 0.00 32.58 28.10 1fun s HIS 71 CO 0.40 -3.14 0.00 0.41 -0.65 0.00 0.00 174.74 171.76 1fun n GLY 72 N -0.72 0.17 3.79 1.59 0.00 -1.26 -4.37 105.19 104.40 1fun n GLY 72 Ca 0.05 -1.11 -0.35 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 0.00 2.64 0.40 -0.02 0.00 -1.16 -4.74 107.32 104.44 1fun s GLY 73 Ca 0.00 0.55 0.18 0.00 0.00 0.00 0.00 44.72 45.46 1fun s GLY 73 CO 0.00 0.94 1.77 -0.56 0.00 0.00 0.00 173.10 175.25 1fun h PRO 74 N 2.46 0.39 -1.46 2.90 0.13 -1.89 0.33 132.00 134.86 1fun h PRO 74 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1fun h PRO 74 Cb 1.20 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1fun h PRO 74 CO 0.62 0.26 0.00 1.63 -0.23 0.00 0.00 178.00 180.28 1fun n LYS 75 N -4.63 0.84 -4.60 0.86 5.02 -1.26 -4.80 118.16 109.58 1fun n LYS 75 Ca 0.25 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.24 1fun n LYS 75 Cb 0.88 -1.08 -0.08 0.00 -0.02 0.00 0.00 35.03 34.72 1fun n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1fun s ASP 76 N 1.36 4.09 -0.21 4.39 1.11 0.10 -5.04 116.67 122.48 1fun s ASP 76 Ca 0.00 -1.47 0.01 0.00 0.18 0.00 0.00 52.55 51.27 1fun s ASP 76 Cb 0.00 0.08 -0.13 0.00 1.07 0.00 0.00 42.92 43.94 1fun s ASP 76 CO 0.00 -0.69 -0.18 1.21 1.18 0.00 0.00 175.17 176.69 1fun n GLU 77 N -1.18 0.51 -3.04 8.23 0.00 -1.26 -4.75 120.64 119.15 1fun n GLU 77 Ca -0.11 0.12 -0.44 0.00 0.00 0.00 0.00 57.16 56.72 1fun n GLU 77 Cb 0.67 -1.41 -0.03 0.00 0.00 0.00 0.00 31.44 30.67 1fun n GLU 77 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1fun s GLU 78 N -2.41 3.36 0.17 5.31 2.56 -1.26 -4.95 118.70 121.49 1fun s GLU 78 Ca -0.28 -1.61 -0.23 0.00 0.00 0.00 0.00 54.97 52.85 1fun s GLU 78 Cb 0.07 -4.54 0.06 0.00 2.00 0.00 0.00 34.13 31.72 1fun s GLU 78 CO 0.47 -1.63 0.62 -0.98 -0.56 0.00 0.00 175.26 173.18 1fun s ARG 79 N 2.47 1.33 -0.09 4.30 1.70 -1.14 -4.09 118.95 123.43 1fun s ARG 79 Ca 0.22 -0.53 -0.30 0.00 -0.47 0.00 0.00 55.73 54.66 1fun s ARG 79 Cb -0.13 0.59 -0.01 0.00 -0.57 0.00 0.00 34.95 34.82 1fun s ARG 79 CO -0.02 -0.59 1.00 -1.01 -1.08 0.00 0.00 175.30 173.61 1fun s HIS 80 N -3.75 3.53 0.59 5.89 3.76 -0.89 -4.60 115.29 119.82 1fun s HIS 80 Ca 0.02 1.61 0.35 0.00 -0.15 0.00 0.00 55.06 56.89 1fun s HIS 80 Cb -0.02 -3.18 1.25 0.00 1.11 0.00 0.00 32.58 31.75 1fun s HIS 80 CO -0.10 -0.20 1.45 0.28 -0.85 0.00 0.00 174.74 175.32 1fun h VAL 81 N 5.06 0.05 -1.00 -0.90 2.07 -1.90 0.38 116.25 120.01 1fun h VAL 81 Ca -0.32 0.00 -0.64 0.00 0.82 0.00 0.00 66.70 66.56 1fun h VAL 81 Cb 1.16 0.07 -0.30 0.00 -1.52 0.00 0.00 31.29 30.70 1fun h VAL 81 CO 0.84 0.00 0.82 0.61 0.02 0.00 0.00 177.57 179.86 1fun n GLY 82 N -1.77 5.55 3.18 2.17 0.00 -0.21 -4.13 105.19 109.98 1fun n GLY 82 Ca 0.29 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.71 5.66 0.00 1.61 1.01 0.13 0.35 116.67 123.72 1fun s ASP 83 Ca 0.63 -2.26 0.24 0.00 0.71 0.00 0.00 52.55 51.87 1fun s ASP 83 Cb 0.50 -1.97 0.65 0.00 1.01 0.00 0.00 42.92 43.11 1fun s ASP 83 CO 0.02 -0.58 1.51 0.18 0.21 0.00 0.00 175.17 176.51 1fun n LEU 84 N 4.40 2.26 0.00 1.23 4.77 -0.41 -3.67 117.00 125.56 1fun n LEU 84 Ca -0.01 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.11 1fun n LEU 84 Cb 0.41 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1fun n LEU 84 CO 0.38 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1fun n GLY 85 N 1.26 2.10 3.49 -0.72 0.00 -0.77 -4.77 105.19 105.79 1fun n GLY 85 Ca 0.17 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 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 3.54 0.04 1.61 0.01 -1.26 0.75 114.94 115.63 1fun s ASN 86 Ca 0.00 -1.12 0.02 0.00 -0.71 0.00 0.00 52.86 51.06 1fun s ASN 86 Cb 0.00 -0.30 -0.02 0.00 0.41 0.00 0.00 41.25 41.33 1fun s ASN 86 CO 0.00 -0.11 -0.08 0.68 -1.51 0.00 0.00 177.10 176.08 1fun s VAL 87 N -2.62 0.54 -0.34 1.60 -7.23 -0.53 -4.87 120.40 106.95 1fun s VAL 87 Ca 0.31 -1.10 -0.04 0.00 -1.81 0.00 0.00 61.98 59.34 1fun s VAL 87 Cb -0.01 -0.63 0.06 0.00 0.56 0.00 0.00 36.38 36.36 1fun s VAL 87 CO 0.15 -0.39 0.10 -0.89 -0.31 0.00 0.00 175.10 173.75 1fun s THR 88 N -1.43 3.39 -0.10 5.32 2.01 -1.26 -0.11 115.64 123.46 1fun s THR 88 Ca -0.10 -1.45 -0.30 0.00 0.31 0.00 0.00 61.69 60.15 1fun s THR 88 Cb -0.10 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 1fun s THR 88 CO 0.00 -0.29 1.34 0.00 -0.69 0.00 0.00 174.62 174.98 1fun s ALA 89 N 1.29 3.62 1.02 7.40 0.00 0.26 -4.38 121.76 130.96 1fun s ALA 89 Ca -0.01 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.57 1fun s ALA 89 Cb -0.21 -3.62 0.02 0.00 0.00 0.00 0.00 23.12 19.31 1fun s ALA 89 CO -0.00 -1.10 0.07 -0.40 0.00 0.00 0.00 175.76 174.32 1fun n ASP 90 N 6.27 -1.12 0.12 0.00 5.68 -0.59 -0.10 116.55 126.81 1fun n ASP 90 Ca 0.14 -0.51 0.09 0.00 -0.50 0.00 0.00 54.79 54.00 1fun n ASP 90 Cb 0.45 -0.06 0.45 0.00 -1.14 0.00 0.00 41.12 40.81 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 -1.73 0.11 -0.18 0.11 2.85 -1.26 -0.87 118.16 117.19 1fun n LYS 91 Ca 0.01 0.58 0.11 0.00 -1.05 0.00 0.00 58.31 57.96 1fun n LYS 91 Cb 0.04 -1.84 0.20 0.00 -0.65 0.00 0.00 35.03 32.77 1fun n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1fun n ASP 92 N -2.07 3.30 0.00 -5.58 8.00 -1.26 -4.82 116.55 114.11 1fun n ASP 92 Ca -0.01 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.55 1fun n ASP 92 Cb 0.05 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 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 1.32 1.17 3.68 0.44 0.00 -0.05 -4.62 105.19 107.13 1fun n GLY 93 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.57 4.95 -0.28 1.61 1.01 -1.26 -0.59 120.40 122.28 1fun s VAL 94 Ca 0.00 1.49 -0.09 0.00 0.00 0.00 0.00 61.98 63.38 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 0.10 0.12 0.00 0.00 0.00 0.00 175.10 175.33 1fun s ALA 95 N 1.74 3.29 -0.61 5.51 0.00 -0.56 -1.54 121.76 129.59 1fun s ALA 95 Ca 0.36 -1.20 -0.15 0.00 0.00 0.00 0.00 51.96 50.98 1fun s ALA 95 Cb -0.17 -2.27 0.15 0.00 0.00 0.00 0.00 23.12 20.84 1fun s ALA 95 CO 0.14 -0.63 0.55 0.34 0.00 0.00 0.00 175.76 176.16 1fun s ASP 96 N 1.65 6.27 0.30 0.00 2.15 -1.26 -0.19 116.67 125.59 1fun s ASP 96 Ca 0.06 -2.06 -0.28 0.00 0.43 0.00 0.00 52.55 50.69 1fun s ASP 96 Cb -0.16 -2.18 -0.09 0.00 -0.30 0.00 0.00 42.92 40.18 1fun s ASP 96 CO 0.06 -0.76 1.06 -0.69 -0.17 0.00 0.00 175.17 174.68 1fun s VAL 97 N 1.16 3.62 -0.35 1.11 1.01 0.26 -4.93 120.40 122.28 1fun s VAL 97 Ca 0.07 1.54 0.00 0.00 0.00 0.00 0.00 61.98 63.59 1fun s VAL 97 Cb -0.24 -3.94 0.19 0.00 0.00 0.00 0.00 36.38 32.38 1fun s VAL 97 CO -0.01 0.29 0.80 -0.55 0.00 0.00 0.00 175.10 175.64 1fun s SER 98 N -1.08 -1.05 0.28 3.32 0.15 -1.23 -1.26 113.70 112.82 1fun s SER 98 Ca 0.47 -0.36 0.06 0.00 0.70 0.00 0.00 55.95 56.82 1fun s SER 98 Cb -0.29 1.41 -0.06 0.00 -1.71 0.00 0.00 66.02 65.38 1fun s SER 98 CO 0.37 -0.14 -0.03 -0.63 1.20 0.00 0.00 173.24 174.01 1fun s ILE 99 N 2.15 1.49 -0.13 6.45 1.01 0.17 -5.00 121.20 127.34 1fun s ILE 99 Ca 0.16 -2.09 -0.04 0.00 0.00 0.00 0.00 60.65 58.68 1fun s ILE 99 Cb -0.02 -2.48 0.07 0.00 0.01 0.00 0.00 42.46 40.03 1fun s ILE 99 CO -0.14 -0.27 0.22 -0.70 0.00 0.00 0.00 174.94 174.05 1fun s GLU 100 N -3.77 0.12 0.17 2.79 2.12 -1.26 -1.62 118.70 117.24 1fun s GLU 100 Ca 0.30 0.54 0.08 0.00 0.36 0.00 0.00 54.97 56.25 1fun s GLU 100 Cb 0.05 -0.43 -0.04 0.00 0.26 0.00 0.00 34.13 33.97 1fun s GLU 100 CO 0.12 -0.39 -0.17 0.34 -0.54 0.00 0.00 175.26 174.61 1fun s ASP 101 N 2.35 2.61 -0.01 -1.70 2.15 -0.32 -4.92 116.67 116.83 1fun s ASP 101 Ca 0.03 -0.88 0.02 0.00 0.43 0.00 0.00 52.55 52.15 1fun s ASP 101 Cb -0.13 -0.15 0.03 0.00 -0.30 0.00 0.00 42.92 42.37 1fun s ASP 101 CO -0.09 -0.06 0.82 -1.20 -0.17 0.00 0.00 175.17 174.47 1fun n SER 102 N 0.21 1.05 -0.11 -0.34 7.64 -1.26 0.99 113.62 121.79 1fun n SER 102 Ca -0.13 -1.72 -0.23 0.00 1.01 0.00 0.00 58.87 57.81 1fun n SER 102 Cb 0.58 -0.06 -0.12 0.00 -1.01 0.00 0.00 64.21 63.60 1fun n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1fun n VAL 103 N -0.35 1.54 -1.65 0.44 0.31 -1.26 -4.95 118.33 112.41 1fun n VAL 103 Ca 0.02 -0.47 -0.29 0.00 -0.01 0.00 0.00 64.34 63.58 1fun n VAL 103 Cb 0.43 -1.67 0.11 0.00 -0.91 0.00 0.00 33.84 31.81 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 -2.51 2.27 0.05 2.52 -4.36 -1.26 -4.92 121.20 112.99 1fun s ILE 104 Ca -0.34 0.09 -0.27 0.00 -0.26 0.00 0.00 60.65 59.87 1fun s ILE 104 Cb 0.10 -2.92 0.08 0.00 1.25 0.00 0.00 42.46 40.98 1fun s ILE 104 CO 0.58 -0.12 0.72 -0.55 0.24 0.00 0.00 174.94 175.81 1fun s SER 105 N -4.17 -0.52 -0.21 4.36 0.15 -1.22 -4.68 113.70 107.41 1fun s SER 105 Ca 0.62 0.18 0.14 0.00 0.70 0.00 0.00 55.95 57.59 1fun s SER 105 Cb -0.14 0.51 0.77 0.00 -1.71 0.00 0.00 66.02 65.45 1fun s SER 105 CO 0.52 -0.76 1.67 0.18 1.20 0.00 0.00 173.24 176.05 1fun n LEU 106 N 0.01 5.39 -3.60 3.45 4.77 -1.26 -1.01 117.00 124.75 1fun n LEU 106 Ca -0.15 -2.73 -0.07 0.00 -0.03 0.00 0.00 56.01 53.03 1fun n LEU 106 Cb 0.62 -0.67 -0.04 0.00 -2.33 0.00 0.00 43.42 41.00 1fun n LEU 106 CO 0.14 0.62 0.92 -0.94 -1.33 0.00 0.00 177.39 176.81 1fun s SER 107 N -0.74 -0.23 0.00 -1.43 1.04 -1.26 0.19 113.70 111.26 1fun s SER 107 Ca 0.51 0.22 0.00 0.00 0.48 0.00 0.00 55.95 57.16 1fun s SER 107 Cb 0.38 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1fun s SER 107 CO 0.16 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1fun n GLY 108 N 0.51 -1.85 0.22 7.32 0.00 -1.26 -4.35 105.19 105.77 1fun n GLY 108 Ca -0.06 -1.94 -0.06 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.55 -1.49 1.61 3.32 -2.01 -2.93 116.42 114.38 1fun h ASP 109 Ca 0.00 0.13 -0.71 0.00 0.02 0.00 0.00 57.03 56.46 1fun h ASP 109 Cb 0.00 0.30 -0.29 0.00 0.22 0.00 0.00 39.33 39.56 1fun h ASP 109 CO 0.00 -0.20 0.83 1.41 -1.72 0.00 0.00 179.24 179.56 1fun n HIS 110 N -5.34 3.11 -2.25 4.55 8.25 -1.26 -5.00 115.22 117.28 1fun n HIS 110 Ca 0.01 -2.67 -0.42 0.00 -0.26 0.00 0.00 57.72 54.38 1fun n HIS 110 Cb 0.25 -1.23 -0.03 0.00 1.12 0.00 0.00 29.99 30.10 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 -1.62 6.92 0.00 0.41 0.15 -1.11 -3.39 113.70 115.06 1fun s SER 111 Ca 0.58 2.33 0.27 0.00 0.70 0.00 0.00 55.95 59.83 1fun s SER 111 Cb 0.47 -2.60 0.92 0.00 -1.71 0.00 0.00 66.02 63.09 1fun s SER 111 CO -0.21 -0.53 1.69 2.30 1.20 0.00 0.00 173.24 177.69 1fun n ILE 112 N 2.99 0.00 -1.70 6.45 -5.35 -0.18 -4.92 119.36 116.66 1fun n ILE 112 Ca 0.07 -0.02 -0.44 0.00 -0.27 0.00 0.00 62.75 62.10 1fun n ILE 112 Cb 0.43 -0.06 -0.02 0.00 -1.74 0.00 0.00 39.64 38.25 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 -1.34 0.97 -0.84 7.28 2.08 -1.26 -1.61 119.36 124.64 1fun n ILE 113 Ca 0.08 -0.24 0.00 0.00 0.56 0.00 0.00 62.75 63.15 1fun n ILE 113 Cb 0.32 -1.65 0.00 0.00 -0.75 0.00 0.00 39.64 37.56 1fun n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1fun n GLY 114 N 2.17 0.76 3.60 7.39 0.00 0.20 -4.99 105.19 114.31 1fun n GLY 114 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.16 2.17 0.16 1.61 0.52 -0.63 -2.25 118.95 120.36 1fun s ARG 115 Ca 0.00 -1.24 -0.28 0.00 -0.52 0.00 0.00 55.73 53.69 1fun s ARG 115 Cb 0.00 -2.21 -0.07 0.00 0.52 0.00 0.00 34.95 33.19 1fun s ARG 115 CO 0.00 0.43 0.87 0.99 0.02 0.00 0.00 175.30 177.61 1fun s THR 116 N -1.77 4.37 -0.25 0.02 2.01 -1.09 -1.33 115.64 117.60 1fun s THR 116 Ca 0.26 1.89 -0.09 0.00 0.31 0.00 0.00 61.69 64.06 1fun s THR 116 Cb -0.09 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 1fun s THR 116 CO 0.16 0.44 0.12 -0.22 -0.69 0.00 0.00 174.62 174.44 1fun s LEU 117 N -0.72 3.79 -0.04 4.42 2.96 0.83 -1.48 118.68 128.44 1fun s LEU 117 Ca 0.40 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 1fun s LEU 117 Cb -0.24 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 1fun s LEU 117 CO 0.28 0.01 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.52 1fun s VAL 118 N 1.37 3.27 -0.11 1.68 1.01 -0.67 -1.66 120.40 125.28 1fun s VAL 118 Ca 0.06 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1fun s VAL 118 Cb -0.15 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1fun s VAL 118 CO 0.06 0.55 -0.01 0.54 0.00 0.00 0.00 175.10 176.23 1fun s VAL 119 N -0.80 4.19 0.29 2.92 0.11 -0.27 -2.42 120.40 124.41 1fun s VAL 119 Ca 0.13 -0.28 0.07 0.00 -2.93 0.00 0.00 61.98 58.96 1fun s VAL 119 Cb -0.11 -2.79 -0.03 0.00 -1.53 0.00 0.00 36.38 31.93 1fun s VAL 119 CO 0.02 0.56 0.32 -1.00 -3.33 0.00 0.00 175.10 171.66 1fun s HIS 120 N -0.41 3.12 0.22 1.54 3.76 0.55 -1.00 115.29 123.08 1fun s HIS 120 Ca 0.07 -0.17 -0.07 0.00 -0.15 0.00 0.00 55.06 54.74 1fun s HIS 120 Cb -0.12 -1.68 0.19 0.00 1.11 0.00 0.00 32.58 32.08 1fun s HIS 120 CO 0.02 0.29 1.83 1.49 -0.85 0.00 0.00 174.74 177.52 1fun h GLU 121 N 1.23 1.23 -5.19 1.40 4.81 -0.65 -3.37 114.58 114.03 1fun h GLU 121 Ca -0.47 -0.17 -0.51 0.00 -0.13 0.00 0.00 59.36 58.07 1fun h GLU 121 Cb 1.25 -0.23 -0.14 0.00 0.63 0.00 0.00 28.75 30.26 1fun h GLU 121 CO 0.58 0.93 -0.58 0.15 -0.73 0.00 0.00 179.01 179.36 1fun s LYS 122 N -5.75 1.77 0.69 1.92 1.02 0.22 -4.94 119.74 114.67 1fun s LYS 122 Ca -0.13 -2.02 -0.14 0.00 0.02 0.00 0.00 55.97 53.70 1fun s LYS 122 Cb 0.16 -0.87 0.02 0.00 -0.52 0.00 0.00 37.83 36.62 1fun s LYS 122 CO 0.83 -0.27 1.13 0.00 -0.92 0.00 0.00 175.35 176.12 1fun s ALA 123 N -3.23 2.35 -0.06 5.17 0.00 -0.97 -0.71 121.76 124.31 1fun s ALA 123 Ca 0.31 0.57 -0.13 0.00 0.00 0.00 0.00 51.96 52.71 1fun s ALA 123 Cb 0.07 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 1fun s ALA 123 CO 0.15 -1.49 0.33 0.34 0.00 0.00 0.00 175.76 175.08 1fun s ASP 124 N -2.59 6.64 -0.01 0.00 2.15 -1.26 -3.94 116.67 117.66 1fun s ASP 124 Ca 0.67 0.76 0.04 0.00 0.43 0.00 0.00 52.55 54.46 1fun s ASP 124 Cb -0.22 -2.20 0.12 0.00 -0.30 0.00 0.00 42.92 40.32 1fun s ASP 124 CO 0.44 0.29 1.03 -0.90 -0.17 0.00 0.00 175.17 175.86 1fun n ASP 125 N 2.27 0.90 -1.79 -0.34 5.68 -0.51 -4.90 116.55 117.86 1fun n ASP 125 Ca -0.15 -2.03 -0.11 0.00 -0.50 0.00 0.00 54.79 52.00 1fun n ASP 125 Cb 0.53 -0.16 -0.03 0.00 -1.14 0.00 0.00 41.12 40.31 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 -0.08 -0.92 -0.01 -2.12 4.77 -1.26 0.13 117.00 117.51 1fun n LEU 126 Ca 0.04 0.25 -0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1fun n LEU 126 Cb 0.16 -1.89 -0.00 0.00 -2.33 0.00 0.00 43.42 39.36 1fun n LEU 126 CO 0.03 -0.39 -0.00 0.61 -1.33 0.00 0.00 177.39 176.31 1fun n GLY 127 N -0.45 0.47 1.52 -0.72 0.00 -1.25 -2.98 105.19 101.78 1fun n GLY 127 Ca -0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.85 2.79 0.03 1.61 4.76 0.12 -4.60 118.16 120.03 1fun n LYS 128 Ca -0.00 -3.05 0.11 0.00 -2.87 0.00 0.00 58.31 52.50 1fun n LYS 128 Cb 0.02 -2.01 0.04 0.00 -1.84 0.00 0.00 35.03 31.25 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 -0.66 -1.24 1.88 0.72 0.00 -1.25 -5.01 105.19 99.62 1fun n GLY 129 Ca 0.36 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 1.36 2.28 3.73 -0.02 0.00 -1.26 -4.99 105.19 106.28 1fun n GLY 130 Ca 0.02 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 4.45 0.15 1.61 3.84 -1.26 -4.91 114.94 118.82 1fun s ASN 131 Ca 0.00 2.56 -0.16 0.00 0.21 0.00 0.00 52.86 55.47 1fun s ASN 131 Cb 0.00 -2.61 0.05 0.00 -0.55 0.00 0.00 41.25 38.13 1fun s ASN 131 CO 0.00 -2.11 1.76 -0.33 -2.79 0.00 0.00 177.10 173.63 1fun h GLU 132 N 0.29 0.30 -0.56 0.43 3.07 -2.00 -0.57 114.58 115.54 1fun h GLU 132 Ca -0.50 -0.02 0.16 0.00 -0.50 0.00 0.00 59.36 58.50 1fun h GLU 132 Cb 1.33 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 29.15 1fun h GLU 132 CO 0.52 0.20 0.43 1.49 -1.40 0.00 0.00 179.01 180.25 1fun h GLU 133 N 0.31 0.00 -0.79 2.33 4.22 -1.98 0.82 114.58 119.48 1fun h GLU 133 Ca 0.15 0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.69 1fun h GLU 133 Cb 0.10 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 1fun h GLU 133 CO -0.14 0.00 0.43 1.03 -2.18 0.00 0.00 179.01 178.16 1fun h SER 134 N 0.00 0.60 -0.07 1.04 0.87 -1.45 0.58 113.55 115.12 1fun h SER 134 Ca 0.27 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 1fun h SER 134 Cb 1.13 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1fun h SER 134 CO -0.00 0.34 0.00 0.35 -0.53 0.00 0.00 176.83 176.99 1fun n THR 135 N -4.78 0.09 0.00 2.23 -2.24 0.28 -2.03 114.28 107.83 1fun n THR 135 Ca 0.13 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1fun n THR 135 Cb 0.28 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 -0.30 0.00 -0.03 -0.78 1.02 0.17 -0.50 120.64 120.22 1fun n GLU 136 Ca 0.15 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.18 1fun n GLU 136 Cb 0.18 -0.08 -0.14 0.00 -0.02 0.00 0.00 31.44 31.38 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 -1.63 1.60 -0.60 2.62 -2.24 0.81 -4.62 114.28 110.22 1fun n THR 137 Ca 0.00 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1fun n THR 137 Cb 0.00 -1.07 0.00 0.00 -2.10 0.00 0.00 70.33 67.16 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 1.66 0.63 2.41 3.38 0.00 -0.44 -4.16 105.19 108.67 1fun n GLY 138 Ca -0.22 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 44.99 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 1.19 -4.57 0.26 1.61 4.13 -1.26 -1.43 115.26 115.20 1fun n ASN 139 Ca 0.00 0.14 0.11 0.00 1.68 0.00 0.00 54.58 56.51 1fun n ASN 139 Cb 0.00 -3.87 0.71 0.00 -1.54 0.00 0.00 39.78 35.08 1fun n ASN 139 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1fun h ALA 140 N 0.97 1.47 0.00 5.41 0.00 -1.72 -3.45 119.26 121.94 1fun h ALA 140 Ca -0.36 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1fun h ALA 140 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1fun h ALA 140 CO 0.43 0.13 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1fun n GLY 141 N -0.95 -1.62 3.62 0.00 0.00 -1.26 0.69 105.19 105.67 1fun n GLY 141 Ca -0.02 -1.96 -0.28 0.00 0.00 0.00 0.00 46.02 43.76 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 1.98 -0.62 1.61 1.04 -1.26 -4.61 113.70 107.84 1fun s SER 142 Ca 0.00 1.20 -0.14 0.00 0.48 0.00 0.00 55.95 57.48 1fun s SER 142 Cb 0.00 -1.87 0.16 0.00 0.10 0.00 0.00 66.02 64.41 1fun s SER 142 CO 0.00 -3.53 0.57 -0.13 0.98 0.00 0.00 173.24 171.12 1fun s ARG 143 N -4.87 3.12 0.39 4.02 0.52 -1.26 -0.18 118.95 120.68 1fun s ARG 143 Ca 0.67 -1.96 0.07 0.00 -0.52 0.00 0.00 55.73 53.98 1fun s ARG 143 Cb -0.20 -4.29 0.79 0.00 0.52 0.00 0.00 34.95 31.77 1fun s ARG 143 CO 0.59 -1.30 1.98 -0.07 0.02 0.00 0.00 175.30 176.52 1fun h LEU 144 N 8.47 0.41 -7.16 2.53 3.38 -1.35 -3.46 115.31 118.13 1fun h LEU 144 Ca -0.16 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 57.87 1fun h LEU 144 Cb 1.08 -0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.59 1fun h LEU 144 CO 0.93 0.40 0.44 0.00 0.09 0.00 0.00 178.44 180.30 1fun s ALA 145 N -5.17 -1.74 0.21 1.53 0.00 -1.23 -4.38 121.76 110.99 1fun s ALA 145 Ca -0.07 0.73 -0.21 0.00 0.00 0.00 0.00 51.96 52.40 1fun s ALA 145 Cb 0.16 0.54 0.07 0.00 0.00 0.00 0.00 23.12 23.90 1fun s ALA 145 CO 0.74 -0.78 1.02 0.00 0.00 0.00 0.00 175.76 176.73 1fun s GLY 147 N -3.42 -0.17 0.14 0.00 0.00 -0.66 -1.01 107.32 102.20 1fun s GLY 147 Ca 0.22 2.08 -0.30 0.00 0.00 0.00 0.00 44.72 46.72 1fun s GLY 147 CO 0.06 0.83 1.02 0.14 0.00 0.00 0.00 173.10 175.16 1fun s VAL 148 N -1.67 4.23 -0.35 1.40 1.01 -1.26 -0.12 120.40 123.63 1fun s VAL 148 Ca 0.06 1.88 -0.27 0.00 0.00 0.00 0.00 61.98 63.65 1fun s VAL 148 Cb -0.01 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.19 1fun s VAL 148 CO -0.04 0.30 0.98 -0.63 0.00 0.00 0.00 175.10 175.71 1fun s ILE 149 N -0.10 4.56 0.29 2.22 1.01 -0.44 -4.49 121.20 124.25 1fun s ILE 149 Ca 0.48 1.39 0.08 0.00 0.00 0.00 0.00 60.65 62.60 1fun s ILE 149 Cb -0.26 -4.36 -0.03 0.00 0.01 0.00 0.00 42.46 37.82 1fun s ILE 149 CO 0.32 -0.51 0.19 -0.83 0.00 0.00 0.00 174.94 174.11 1fun s GLY 150 N 1.80 1.64 0.24 6.18 0.00 -0.53 -0.63 107.32 116.02 1fun s GLY 150 Ca 0.41 -1.59 -0.30 0.00 0.00 0.00 0.00 44.72 43.24 1fun s GLY 150 CO 0.18 -1.58 1.03 -0.42 0.00 0.00 0.00 173.10 172.30 1fun s ILE 151 N -2.26 3.85 0.35 0.90 1.01 -1.26 -2.16 121.20 121.63 1fun s ILE 151 Ca 0.36 1.79 0.05 0.00 0.00 0.00 0.00 60.65 62.85 1fun s ILE 151 Cb -0.06 -4.14 -0.07 0.00 0.01 0.00 0.00 42.46 38.20 1fun s ILE 151 CO 0.24 0.40 0.03 0.00 0.00 0.00 0.00 174.94 175.61 1fun s ALA 152 N -0.95 2.65 0.00 9.38 0.00 -1.04 -4.83 121.76 126.98 1fun s ALA 152 Ca 0.44 -2.14 0.00 0.00 0.00 0.00 0.00 51.96 50.26 1fun s ALA 152 Cb -0.29 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1fun s ALA 152 CO 0.36 -0.22 0.48 0.94 0.00 0.00 0.00 175.76 177.32