#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 0.00 -4.37 0.00 -1.04 -1.26 -4.76 114.28 102.85 1fun n THR 2 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.82 1fun n THR 2 Cb 0.00 -0.76 -0.15 0.00 -1.82 0.00 0.00 70.33 67.60 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 -1.97 0.76 0.08 -2.82 1.02 -1.26 -0.74 119.74 114.81 1fun s LYS 3 Ca 0.00 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 55.69 1fun s LYS 3 Cb 0.00 -0.73 -0.04 0.00 -0.52 0.00 0.00 37.83 36.54 1fun s LYS 3 CO 0.00 0.19 -0.07 0.00 -0.92 0.00 0.00 175.35 174.55 1fun s ALA 4 N -0.16 0.81 -0.02 5.17 0.00 -0.78 -0.97 121.76 125.80 1fun s ALA 4 Ca 0.03 -1.16 -0.08 0.00 0.00 0.00 0.00 51.96 50.75 1fun s ALA 4 Cb -0.04 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.22 1fun s ALA 4 CO -0.00 -0.18 0.18 0.54 0.00 0.00 0.00 175.76 176.29 1fun s VAL 5 N -2.96 0.06 -0.04 0.00 0.11 0.11 -1.09 120.40 116.58 1fun s VAL 5 Ca 0.05 -0.48 -0.01 0.00 -2.93 0.00 0.00 61.98 58.60 1fun s VAL 5 Cb 0.01 -0.42 0.03 0.00 -1.53 0.00 0.00 36.38 34.47 1fun s VAL 5 CO -0.04 -0.27 0.03 0.00 -3.33 0.00 0.00 175.10 171.50 1fun s ALA 6 N -1.00 0.29 -0.43 1.54 0.00 -0.41 -0.89 121.76 120.86 1fun s ALA 6 Ca -0.11 0.16 -0.17 0.00 0.00 0.00 0.00 51.96 51.84 1fun s ALA 6 Cb -0.06 -0.48 0.03 0.00 0.00 0.00 0.00 23.12 22.61 1fun s ALA 6 CO 0.02 -0.29 0.43 0.08 0.00 0.00 0.00 175.76 175.99 1fun s VAL 7 N 1.59 5.11 -0.31 0.00 1.01 -1.26 -1.16 120.40 125.38 1fun s VAL 7 Ca -0.02 -0.49 -0.25 0.00 0.00 0.00 0.00 61.98 61.22 1fun s VAL 7 Cb -0.13 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.21 1fun s VAL 7 CO -0.03 -0.45 0.88 -0.76 0.00 0.00 0.00 175.10 174.73 1fun s LEU 8 N 2.05 4.05 0.28 3.92 1.43 0.17 -4.25 118.68 126.33 1fun s LEU 8 Ca 0.10 0.80 0.04 0.00 -1.03 0.00 0.00 54.13 54.04 1fun s LEU 8 Cb -0.18 -3.22 -0.06 0.00 0.03 0.00 0.00 46.19 42.76 1fun s LEU 8 CO 0.12 -0.68 0.03 -0.54 0.23 0.00 0.00 176.35 175.51 1fun s LYS 9 N 3.15 1.52 0.00 1.70 -0.14 -0.78 -0.59 119.74 124.60 1fun s LYS 9 Ca 0.36 -1.81 0.00 0.00 -1.36 0.00 0.00 55.97 53.16 1fun s LYS 9 Cb -0.14 -0.76 0.00 0.00 -1.68 0.00 0.00 37.83 35.26 1fun s LYS 9 CO 0.13 -0.15 0.00 0.41 -0.76 0.00 0.00 175.35 174.98 1fun n GLY 10 N -0.57 0.72 2.26 -3.33 0.00 -1.24 -1.00 105.19 102.03 1fun n GLY 10 Ca -0.03 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 45.13 1fun n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fun n ASP 11 N 0.00 5.57 -0.65 1.61 5.68 -1.26 -4.72 116.55 122.77 1fun n ASP 11 Ca 0.00 -2.37 0.00 0.00 -0.50 0.00 0.00 54.79 51.92 1fun n ASP 11 Cb 0.00 -1.24 0.00 0.00 -1.14 0.00 0.00 41.12 38.74 1fun n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fun n GLY 12 N 3.11 3.23 0.05 6.12 0.00 -1.26 -5.03 105.19 111.41 1fun n GLY 12 Ca 0.48 -1.20 0.13 0.00 0.00 0.00 0.00 46.02 45.43 1fun n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fun n PRO 13 N 0.00 0.11 -2.52 1.61 -0.04 -1.26 -4.86 135.00 128.04 1fun n PRO 13 Ca 0.00 0.15 -0.41 0.00 -0.04 0.00 0.00 63.50 63.19 1fun n PRO 13 Cb 0.00 -1.65 -0.04 0.00 -0.04 0.00 0.00 33.50 31.78 1fun n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1fun s VAL 14 N -3.07 3.93 -0.11 0.52 1.01 -1.26 -4.51 120.40 116.92 1fun s VAL 14 Ca 0.11 1.62 -0.30 0.00 0.00 0.00 0.00 61.98 63.41 1fun s VAL 14 Cb 0.15 -4.04 0.11 0.00 0.00 0.00 0.00 36.38 32.60 1fun s VAL 14 CO 0.51 0.26 0.89 0.00 0.00 0.00 0.00 175.10 176.76 1fun s GLN 15 N -0.17 0.76 0.10 2.72 -2.07 -1.14 -3.69 119.66 116.17 1fun s GLN 15 Ca 0.50 0.11 -0.26 0.00 -1.82 0.00 0.00 55.36 53.89 1fun s GLN 15 Cb -0.29 0.36 0.09 0.00 -1.09 0.00 0.00 33.01 32.07 1fun s GLN 15 CO 0.34 -0.25 1.11 0.20 -1.32 0.00 0.00 175.29 175.36 1fun s GLY 16 N -1.32 -0.19 -0.16 2.60 0.00 0.24 -1.88 107.32 106.61 1fun s GLY 16 Ca -0.03 0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.85 1fun s GLY 16 CO 0.02 1.14 -0.09 -0.42 0.00 0.00 0.00 173.10 173.75 1fun s ILE 17 N -2.64 1.34 -0.11 0.90 1.01 -0.58 0.43 121.20 121.54 1fun s ILE 17 Ca 0.17 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.18 1fun s ILE 17 Cb 0.00 -1.39 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 1fun s ILE 17 CO 0.01 0.27 -0.16 -0.63 0.00 0.00 0.00 174.94 174.43 1fun s ILE 18 N 1.55 2.81 0.04 2.92 -1.09 -0.31 -1.44 121.20 125.68 1fun s ILE 18 Ca 0.02 -0.76 0.02 0.00 -2.23 0.00 0.00 60.65 57.70 1fun s ILE 18 Cb -0.14 -2.14 -0.04 0.00 -1.58 0.00 0.00 42.46 38.56 1fun s ILE 18 CO -0.09 0.54 0.03 0.20 -1.23 0.00 0.00 174.94 174.39 1fun s ASN 19 N 0.16 5.24 -0.01 3.58 0.01 0.26 -1.29 114.94 122.88 1fun s ASN 19 Ca -0.09 -0.03 0.05 0.00 -0.71 0.00 0.00 52.86 52.08 1fun s ASN 19 Cb -0.15 -1.36 -0.01 0.00 0.41 0.00 0.00 41.25 40.13 1fun s ASN 19 CO 0.05 0.23 -0.16 -0.36 -1.51 0.00 0.00 177.10 175.36 1fun s PHE 20 N -1.21 1.44 -0.10 2.20 0.08 -0.25 -1.18 117.98 118.96 1fun s PHE 20 Ca 0.23 -0.28 -0.04 0.00 0.12 0.00 0.00 56.93 56.96 1fun s PHE 20 Cb -0.12 -0.93 0.05 0.00 -0.57 0.00 0.00 43.02 41.45 1fun s PHE 20 CO 0.15 -0.03 0.20 -2.00 -0.10 0.00 0.00 175.22 173.44 1fun s GLU 21 N -0.35 0.10 -0.28 0.44 2.12 -0.16 -1.87 118.70 118.70 1fun s GLU 21 Ca 0.06 0.58 -0.01 0.00 0.36 0.00 0.00 54.97 55.96 1fun s GLU 21 Cb -0.06 -0.17 0.05 0.00 0.26 0.00 0.00 34.13 34.21 1fun s GLU 21 CO -0.00 -0.26 -0.04 -1.14 -0.54 0.00 0.00 175.26 173.28 1fun s GLN 22 N 1.98 2.46 0.11 4.30 0.74 0.08 -1.13 119.66 128.20 1fun s GLN 22 Ca -0.01 -1.23 -0.09 0.00 0.05 0.00 0.00 55.36 54.08 1fun s GLN 22 Cb -0.12 -3.07 -0.15 0.00 1.10 0.00 0.00 33.01 30.78 1fun s GLN 22 CO -0.07 -0.56 1.26 0.87 -0.55 0.00 0.00 175.29 176.24 1fun h LYS 23 N 7.95 0.56 -6.30 1.67 1.57 -1.85 -3.42 116.57 116.75 1fun h LYS 23 Ca -0.23 -0.58 -0.59 0.00 -1.87 0.00 0.00 60.65 57.38 1fun h LYS 23 Cb 1.07 0.16 -0.20 0.00 0.08 0.00 0.00 32.23 33.33 1fun h LYS 23 CO 0.52 1.20 -0.82 -1.21 -0.57 0.00 0.00 179.45 178.57 1fun s GLU 24 N -3.34 1.27 0.32 3.15 2.02 -1.26 -5.02 118.70 115.84 1fun s GLU 24 Ca -0.08 -1.32 0.09 0.00 0.02 0.00 0.00 54.97 53.68 1fun s GLU 24 Cb 0.08 -1.53 0.86 0.00 0.10 0.00 0.00 34.13 33.64 1fun s GLU 24 CO 0.89 0.34 1.74 1.03 0.02 0.00 0.00 175.26 179.28 1fun h SER 25 N 3.68 0.70 -0.05 -0.19 0.87 -1.97 0.11 113.55 116.70 1fun h SER 25 Ca -0.46 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1fun h SER 25 Cb 1.19 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1fun h SER 25 CO 0.44 0.14 0.00 -0.46 -0.53 0.00 0.00 176.83 176.42 1fun n ASN 26 N -4.86 2.62 -4.92 6.23 0.23 -1.26 -4.90 115.26 108.40 1fun n ASN 26 Ca 0.26 -3.00 -0.26 0.00 -0.53 0.00 0.00 54.58 51.05 1fun n ASN 26 Cb 0.71 -0.42 0.05 0.00 -2.08 0.00 0.00 39.78 38.04 1fun n ASN 26 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1fun s GLY 27 N -2.58 1.66 0.58 4.83 0.00 0.40 -5.05 107.32 107.16 1fun s GLY 27 Ca 0.32 -0.83 -0.18 0.00 0.00 0.00 0.00 44.72 44.03 1fun s GLY 27 CO 0.04 -0.47 1.13 2.56 0.00 0.00 0.00 173.10 176.36 1fun s PRO 28 N -5.14 3.16 -0.12 2.90 0.04 -1.26 -4.80 135.00 129.78 1fun s PRO 28 Ca 0.58 1.56 -0.08 0.00 0.04 0.00 0.00 61.00 63.10 1fun s PRO 28 Cb -0.11 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1fun s PRO 28 CO 0.45 -0.99 0.16 0.08 0.04 0.00 0.00 177.00 176.74 1fun s VAL 29 N -1.92 5.46 -0.26 -0.36 1.01 0.16 -4.34 120.40 120.14 1fun s VAL 29 Ca 0.71 0.26 -0.10 0.00 0.00 0.00 0.00 61.98 62.86 1fun s VAL 29 Cb -0.23 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1fun s VAL 29 CO 0.32 0.58 0.15 -0.75 0.00 0.00 0.00 175.10 175.40 1fun s LYS 30 N -0.79 3.90 -0.29 2.72 2.20 -0.29 -0.60 119.74 126.59 1fun s LYS 30 Ca 0.15 -0.35 -0.04 0.00 -0.36 0.00 0.00 55.97 55.36 1fun s LYS 30 Cb -0.12 -3.53 0.03 0.00 -1.51 0.00 0.00 37.83 32.70 1fun s LYS 30 CO 0.04 -0.11 0.02 0.08 -0.36 0.00 0.00 175.35 175.02 1fun s VAL 31 N 1.52 3.42 0.07 4.02 1.01 0.20 -0.99 120.40 129.65 1fun s VAL 31 Ca 0.07 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1fun s VAL 31 Cb -0.15 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1fun s VAL 31 CO 0.07 0.05 -0.08 -1.66 0.00 0.00 0.00 175.10 173.47 1fun s TRP 32 N 1.39 0.85 -4.99 5.22 -2.14 -0.32 -1.34 118.94 117.61 1fun s TRP 32 Ca -0.00 -0.63 0.00 0.00 2.66 0.00 0.00 56.10 58.13 1fun s TRP 32 Cb -0.18 -0.49 0.00 0.00 -3.10 0.00 0.00 33.47 29.70 1fun s TRP 32 CO -0.00 -0.07 0.00 0.41 -2.66 0.00 0.00 176.95 174.63 1fun n GLY 33 N 0.88 -0.91 3.00 3.67 0.00 -1.17 0.90 105.19 111.56 1fun n GLY 33 Ca -0.19 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 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 0.27 -0.02 1.61 0.15 -0.52 -1.51 113.70 109.68 1fun s SER 34 Ca 0.00 -0.56 -0.00 0.00 0.70 0.00 0.00 55.95 56.09 1fun s SER 34 Cb 0.00 0.12 0.03 0.00 -1.71 0.00 0.00 66.02 64.46 1fun s SER 34 CO 0.00 -0.34 0.03 -0.63 1.20 0.00 0.00 173.24 173.50 1fun s ILE 35 N -1.80 -0.05 0.28 6.45 1.01 0.13 -1.53 121.20 125.68 1fun s ILE 35 Ca -0.13 0.22 0.12 0.00 0.00 0.00 0.00 60.65 60.87 1fun s ILE 35 Cb -0.07 -0.09 -0.05 0.00 0.01 0.00 0.00 42.46 42.25 1fun s ILE 35 CO -0.02 0.10 -0.20 -1.59 0.00 0.00 0.00 174.94 173.23 1fun s LYS 36 N 1.13 1.68 0.00 2.79 -2.85 -0.79 0.94 119.74 122.65 1fun s LYS 36 Ca -0.08 -1.77 0.00 0.00 -1.00 0.00 0.00 55.97 53.12 1fun s LYS 36 Cb -0.13 -1.77 0.00 0.00 -2.06 0.00 0.00 37.83 33.87 1fun s LYS 36 CO -0.03 0.33 0.00 0.41 0.10 0.00 0.00 175.35 176.16 1fun n GLY 37 N -0.61 0.67 3.92 0.59 0.00 -0.02 -2.88 105.19 106.86 1fun n GLY 37 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 2.67 0.01 0.99 1.43 -1.11 -4.47 118.68 118.20 1fun s LEU 38 Ca 0.00 0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 53.50 1fun s LEU 38 Cb 0.00 -2.76 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 1fun s LEU 38 CO 0.00 -2.21 0.23 0.42 0.23 0.00 0.00 176.35 175.02 1fun s THR 39 N -3.64 5.37 0.18 5.49 -4.23 -1.26 -4.25 115.64 113.30 1fun s THR 39 Ca 0.67 -0.04 -0.32 0.00 -1.18 0.00 0.00 61.69 60.82 1fun s THR 39 Cb -0.08 -3.56 -0.16 0.00 1.34 0.00 0.00 72.50 70.04 1fun s THR 39 CO 0.50 0.31 0.93 1.21 -0.54 0.00 0.00 174.62 177.03 1fun n GLU 40 N 0.90 0.69 0.00 3.99 2.13 -1.26 -4.50 120.64 122.59 1fun n GLU 40 Ca -0.10 0.24 0.00 0.00 0.66 0.00 0.00 57.16 57.96 1fun n GLU 40 Cb 0.52 -1.57 0.00 0.00 0.27 0.00 0.00 31.44 30.66 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 1.79 0.88 3.77 8.31 0.00 0.40 -4.85 105.19 115.48 1fun n GLY 41 Ca 0.16 -2.30 -0.37 0.00 0.00 0.00 0.00 46.02 43.50 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 4.12 -0.07 0.99 1.43 -1.26 -0.23 118.68 123.66 1fun s LEU 42 Ca 0.00 2.25 -0.03 0.00 -1.03 0.00 0.00 54.13 55.32 1fun s LEU 42 Cb 0.00 -4.14 0.04 0.00 0.03 0.00 0.00 46.19 42.12 1fun s LEU 42 CO 0.00 -0.71 0.15 -1.00 0.23 0.00 0.00 176.35 175.02 1fun s HIS 43 N -1.52 -0.17 0.30 0.29 3.76 0.06 -3.78 115.29 114.22 1fun s HIS 43 Ca 0.59 0.51 -0.30 0.00 -0.15 0.00 0.00 55.06 55.72 1fun s HIS 43 Cb -0.28 -0.12 -0.13 0.00 1.11 0.00 0.00 32.58 33.17 1fun s HIS 43 CO 0.34 -0.19 1.38 0.41 -0.85 0.00 0.00 174.74 175.84 1fun n GLY 44 N 4.45 0.78 2.96 -2.22 0.00 -0.95 -1.36 105.19 108.85 1fun n GLY 44 Ca -0.22 0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.54 2.08 0.20 1.61 5.36 0.69 -0.56 117.98 126.82 1fun s PHE 45 Ca 0.61 -1.30 -0.01 0.00 -0.96 0.00 0.00 56.93 55.27 1fun s PHE 45 Cb -0.59 -1.50 -0.04 0.00 -0.34 0.00 0.00 43.02 40.55 1fun s PHE 45 CO 0.56 -0.67 0.12 -1.01 -1.46 0.00 0.00 175.22 172.75 1fun s HIS 46 N 1.51 1.20 -0.22 10.12 3.76 -1.04 -2.01 115.29 128.62 1fun s HIS 46 Ca 0.01 -1.33 0.02 0.00 -0.15 0.00 0.00 55.06 53.61 1fun s HIS 46 Cb -0.15 -0.61 0.04 0.00 1.11 0.00 0.00 32.58 32.96 1fun s HIS 46 CO -0.08 -0.57 -0.16 0.08 -0.85 0.00 0.00 174.74 173.16 1fun s VAL 47 N -4.08 2.09 0.46 -0.90 1.01 0.11 -1.84 120.40 117.25 1fun s VAL 47 Ca 0.38 -1.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 1fun s VAL 47 Cb 0.07 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1fun s VAL 47 CO 0.11 0.27 0.73 -1.00 0.00 0.00 0.00 175.10 175.22 1fun s HIS 48 N 1.21 3.46 0.13 5.22 3.76 0.99 -1.19 115.29 128.88 1fun s HIS 48 Ca -0.01 0.60 -0.18 0.00 -0.15 0.00 0.00 55.06 55.32 1fun s HIS 48 Cb -0.16 -2.26 -0.04 0.00 1.11 0.00 0.00 32.58 31.23 1fun s HIS 48 CO -0.09 -0.26 1.79 1.49 -0.85 0.00 0.00 174.74 176.81 1fun h GLU 49 N 0.32 0.38 -5.97 1.40 4.81 -0.75 -3.00 114.58 111.76 1fun h GLU 49 Ca -0.47 -0.02 -0.67 0.00 -0.13 0.00 0.00 59.36 58.07 1fun h GLU 49 Cb 1.22 -0.08 -0.12 0.00 0.63 0.00 0.00 28.75 30.40 1fun h GLU 49 CO 0.61 0.26 -0.59 -0.06 -0.73 0.00 0.00 179.01 178.50 1fun s PHE 50 N -6.14 3.25 -0.52 0.92 0.08 -0.47 -4.66 117.98 110.44 1fun s PHE 50 Ca -0.13 0.22 -0.01 0.00 0.12 0.00 0.00 56.93 57.13 1fun s PHE 50 Cb 0.09 -1.77 0.38 0.00 -0.57 0.00 0.00 43.02 41.15 1fun s PHE 50 CO 0.71 0.53 2.00 0.41 -0.10 0.00 0.00 175.22 178.77 1fun n GLY 51 N 1.63 5.09 3.49 4.36 0.00 -1.15 -3.36 105.19 115.26 1fun n GLY 51 Ca -0.16 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.05 6.06 -0.20 1.61 -1.08 -1.26 -4.91 116.67 115.84 1fun s ASP 52 Ca 0.51 -0.66 0.12 0.00 -0.52 0.00 0.00 52.55 52.00 1fun s ASP 52 Cb 0.41 -2.14 0.42 0.00 -1.46 0.00 0.00 42.92 40.14 1fun s ASP 52 CO 0.00 -0.34 1.22 0.59 0.52 0.00 0.00 175.17 177.16 1fun n ASN 53 N 5.12 1.71 -0.22 -0.34 5.03 -1.26 -3.04 115.26 122.26 1fun n ASN 53 Ca -0.12 -3.84 -0.05 0.00 0.87 0.00 0.00 54.58 51.44 1fun n ASN 53 Cb 0.48 -0.52 0.11 0.00 -1.02 0.00 0.00 39.78 38.83 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 1.12 1.25 -0.40 3.41 1.35 -1.94 -2.28 112.91 115.43 1fun h THR 54 Ca -0.01 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1fun h THR 54 Cb 1.02 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 1fun h THR 54 CO 0.00 0.34 0.00 0.00 -0.25 0.00 0.00 175.52 175.61 1fun n ALA 55 N -2.45 3.37 0.00 6.62 0.00 -1.26 -5.08 120.51 121.72 1fun n ALA 55 Ca 0.05 -2.14 0.00 0.00 0.00 0.00 0.00 53.44 51.36 1fun n ALA 55 Cb 0.22 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.01 -1.77 0.31 0.00 0.00 -0.86 -4.20 105.19 98.66 1fun n GLY 56 Ca 0.24 -1.58 0.15 0.00 0.00 0.00 0.00 46.02 44.83 1fun n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fun h THR 58 N 0.00 1.14 0.00 0.00 1.35 -1.92 -1.46 112.91 112.02 1fun h THR 58 Ca 0.04 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1fun h THR 58 Cb 0.21 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 67.35 1fun h THR 58 CO -0.00 0.16 0.00 -1.54 -0.25 0.00 0.00 175.52 173.89 1fun n SER 59 N -4.40 0.00 0.00 5.36 3.41 -0.84 -3.47 113.62 113.68 1fun n SER 59 Ca 0.02 0.35 0.07 0.00 -0.26 0.00 0.00 58.87 59.05 1fun n SER 59 Cb 0.14 -0.44 0.44 0.00 -0.26 0.00 0.00 64.21 64.09 1fun n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fun n ALA 60 N -1.44 2.07 -0.63 7.33 0.00 -0.55 -4.60 120.51 122.69 1fun n ALA 60 Ca 0.06 -0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.43 1fun n ALA 60 Cb 0.22 -1.24 -0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.04 -1.52 3.83 0.00 0.00 -1.23 -1.37 105.19 104.86 1fun n GLY 61 Ca 0.11 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.29 0.02 0.58 1.61 0.04 -1.26 -4.55 135.00 131.15 1fun s PRO 62 Ca 0.00 -0.32 -0.20 0.00 0.04 0.00 0.00 61.00 60.52 1fun s PRO 62 Cb 0.00 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.73 1fun s PRO 62 CO 0.00 -2.84 1.14 0.72 0.04 0.00 0.00 177.00 176.06 1fun n HIS 63 N -4.09 1.49 -2.08 0.56 8.25 -1.26 -0.55 115.22 117.54 1fun n HIS 63 Ca 0.15 0.44 -0.43 0.00 -0.26 0.00 0.00 57.72 57.62 1fun n HIS 63 Cb 0.59 -2.24 -0.03 0.00 1.12 0.00 0.00 29.99 29.44 1fun n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1fun s PHE 64 N -1.40 1.99 -0.40 4.41 5.36 -0.34 -4.27 117.98 123.33 1fun s PHE 64 Ca 0.75 0.57 0.07 0.00 -0.96 0.00 0.00 56.93 57.36 1fun s PHE 64 Cb -0.42 -4.07 0.23 0.00 -0.34 0.00 0.00 43.02 38.41 1fun s PHE 64 CO 0.47 -2.91 0.48 -1.71 -1.46 0.00 0.00 175.22 170.09 1fun n ASN 65 N 9.23 -0.15 -0.12 6.13 5.15 -1.26 -0.85 115.26 133.39 1fun n ASN 65 Ca 0.20 -2.62 -0.02 0.00 -0.60 0.00 0.00 54.58 51.54 1fun n ASN 65 Cb 0.46 -0.52 0.21 0.00 -0.53 0.00 0.00 39.78 39.40 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 4.48 0.79 -0.92 1.20 0.13 -1.95 -2.97 132.00 132.76 1fun h PRO 66 Ca 0.12 -0.15 -0.10 0.00 -0.87 0.00 0.00 66.00 65.00 1fun h PRO 66 Cb 0.90 -0.12 -0.06 0.00 0.13 0.00 0.00 31.00 31.84 1fun h PRO 66 CO 0.43 0.71 0.12 1.28 -0.23 0.00 0.00 178.00 180.31 1fun n LEU 67 N -4.29 3.60 -3.61 1.56 4.77 -1.26 -4.91 117.00 112.86 1fun n LEU 67 Ca 0.04 -1.85 -0.21 0.00 -0.03 0.00 0.00 56.01 53.96 1fun n LEU 67 Cb 0.22 -0.60 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 1fun n LEU 67 CO 0.40 0.55 -0.27 -1.20 -1.33 0.00 0.00 177.39 175.54 1fun n SER 68 N 0.06 0.33 -3.84 -1.43 7.64 -1.12 -4.95 113.62 110.31 1fun n SER 68 Ca 0.16 -0.80 -0.12 0.00 1.01 0.00 0.00 58.87 59.12 1fun n SER 68 Cb 0.77 -1.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.01 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 -3.18 0.73 -0.94 1.43 1.74 -1.26 -5.12 116.66 110.06 1fun n ARG 69 Ca -0.16 -1.95 -0.10 0.00 -0.77 0.00 0.00 57.85 54.87 1fun n ARG 69 Cb 0.42 -0.16 0.06 0.00 -1.02 0.00 0.00 32.46 31.76 1fun n ARG 69 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1fun n LYS 70 N -1.81 -0.17 -3.79 5.56 5.02 -1.26 -4.78 118.16 116.93 1fun n LYS 70 Ca 0.10 -0.85 -0.30 0.00 -2.02 0.00 0.00 58.31 55.24 1fun n LYS 70 Cb 0.38 -0.41 -0.04 0.00 -0.02 0.00 0.00 35.03 34.94 1fun n LYS 70 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1fun s HIS 71 N -1.67 3.49 0.14 2.13 5.65 -0.92 -2.46 115.29 121.66 1fun s HIS 71 Ca 0.26 0.38 -0.22 0.00 0.25 0.00 0.00 55.06 55.74 1fun s HIS 71 Cb -0.01 -1.87 0.08 0.00 -1.18 0.00 0.00 32.58 29.60 1fun s HIS 71 CO 0.18 0.49 1.04 0.41 -0.65 0.00 0.00 174.74 176.21 1fun n GLY 72 N 0.04 0.55 3.73 1.59 0.00 -1.25 -4.54 105.19 105.31 1fun n GLY 72 Ca -0.04 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.47 2.05 0.12 -0.02 0.00 -1.16 -4.77 107.32 100.06 1fun s GLY 73 Ca 0.23 0.62 0.12 0.00 0.00 0.00 0.00 44.72 45.70 1fun s GLY 73 CO 0.04 1.00 1.37 -1.55 0.00 0.00 0.00 173.10 173.97 1fun n PRO 74 N -3.07 0.06 -0.04 2.90 -0.04 -1.26 -1.42 135.00 132.14 1fun n PRO 74 Ca 0.11 0.47 0.09 0.00 -0.04 0.00 0.00 63.50 64.13 1fun n PRO 74 Cb 0.52 -1.67 0.10 0.00 -0.04 0.00 0.00 33.50 32.41 1fun n PRO 74 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1fun n LYS 75 N -1.80 1.73 -2.45 0.54 5.02 -1.26 -4.95 118.16 114.99 1fun n LYS 75 Ca 0.01 -1.71 -0.31 0.00 -2.02 0.00 0.00 58.31 54.28 1fun n LYS 75 Cb 0.08 -1.36 -0.02 0.00 -0.02 0.00 0.00 35.03 33.70 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 -1.45 6.50 0.08 4.39 1.01 -0.51 -5.00 116.67 121.70 1fun s ASP 76 Ca 0.24 1.38 -0.13 0.00 0.71 0.00 0.00 52.55 54.74 1fun s ASP 76 Cb 0.16 -2.43 -0.22 0.00 1.01 0.00 0.00 42.92 41.44 1fun s ASP 76 CO 0.23 -0.58 1.21 -0.08 0.21 0.00 0.00 175.17 176.16 1fun h GLU 77 N 0.75 0.69 -5.01 8.23 4.57 -1.94 -3.41 114.58 118.47 1fun h GLU 77 Ca -0.46 -0.73 -0.68 0.00 -1.18 0.00 0.00 59.36 56.30 1fun h GLU 77 Cb 1.19 0.21 -0.18 0.00 -0.16 0.00 0.00 28.75 29.80 1fun h GLU 77 CO 0.62 1.31 0.04 -2.00 -1.18 0.00 0.00 179.01 177.80 1fun s GLU 78 N -3.34 3.14 -0.02 1.92 2.56 -1.26 -5.01 118.70 116.69 1fun s GLU 78 Ca -0.10 -0.82 -0.29 0.00 0.00 0.00 0.00 54.97 53.76 1fun s GLU 78 Cb 0.07 -4.07 0.10 0.00 2.00 0.00 0.00 34.13 32.23 1fun s GLU 78 CO 0.92 -1.17 0.93 -0.98 -0.56 0.00 0.00 175.26 174.40 1fun s ARG 79 N 2.61 0.78 0.50 4.30 1.04 -1.22 -3.95 118.95 123.01 1fun s ARG 79 Ca 0.16 -0.30 -0.18 0.00 -1.04 0.00 0.00 55.73 54.36 1fun s ARG 79 Cb -0.18 0.35 -0.08 0.00 -2.04 0.00 0.00 34.95 33.00 1fun s ARG 79 CO 0.13 -0.34 1.01 -1.01 -0.04 0.00 0.00 175.30 175.05 1fun s HIS 80 N -3.05 3.17 0.28 5.89 3.76 -1.03 -4.77 115.29 119.55 1fun s HIS 80 Ca 0.06 1.54 -0.03 0.00 -0.15 0.00 0.00 55.06 56.48 1fun s HIS 80 Cb -0.01 -2.94 0.38 0.00 1.11 0.00 0.00 32.58 31.12 1fun s HIS 80 CO -0.08 -0.62 1.91 0.28 -0.85 0.00 0.00 174.74 175.38 1fun h VAL 81 N 1.23 1.22 0.00 -0.90 2.07 -1.84 -2.01 116.25 116.02 1fun h VAL 81 Ca -0.48 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1fun h VAL 81 Cb 1.20 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1fun h VAL 81 CO 0.60 0.25 0.00 0.61 0.02 0.00 0.00 177.57 179.04 1fun n GLY 82 N -1.21 -0.80 3.56 2.17 0.00 -0.03 -4.45 105.19 104.43 1fun n GLY 82 Ca 0.08 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.11 6.24 -0.07 1.61 1.01 -0.76 0.05 116.67 122.64 1fun s ASP 83 Ca 0.33 -1.03 0.12 0.00 0.71 0.00 0.00 52.55 52.68 1fun s ASP 83 Cb 0.16 -2.56 0.48 0.00 1.01 0.00 0.00 42.92 42.00 1fun s ASP 83 CO 0.29 -1.75 1.33 0.18 0.21 0.00 0.00 175.17 175.43 1fun n LEU 84 N 9.64 3.30 0.00 1.23 4.77 -0.85 -4.03 117.00 131.06 1fun n LEU 84 Ca 0.25 -1.66 0.00 0.00 -0.03 0.00 0.00 56.01 54.57 1fun n LEU 84 Cb 0.50 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1fun n LEU 84 CO 0.67 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 1fun n GLY 85 N 0.85 0.34 3.34 -0.72 0.00 -1.14 -4.78 105.19 103.09 1fun n GLY 85 Ca 0.17 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 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 2.76 0.03 1.61 0.01 -1.26 -0.22 114.94 113.86 1fun s ASN 86 Ca 0.00 -0.84 0.07 0.00 -0.71 0.00 0.00 52.86 51.38 1fun s ASN 86 Cb 0.00 -0.17 -0.02 0.00 0.41 0.00 0.00 41.25 41.47 1fun s ASN 86 CO 0.00 -0.00 -0.20 0.68 -1.51 0.00 0.00 177.10 176.06 1fun s VAL 87 N -1.90 1.61 -0.14 1.60 -7.23 -0.47 -4.86 120.40 109.01 1fun s VAL 87 Ca 0.15 -1.08 -0.06 0.00 -1.81 0.00 0.00 61.98 59.18 1fun s VAL 87 Cb -0.06 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.45 1fun s VAL 87 CO 0.07 0.27 0.08 -0.89 -0.31 0.00 0.00 175.10 174.32 1fun s THR 88 N -0.70 5.00 -0.13 5.32 2.01 -1.26 -0.76 115.64 125.12 1fun s THR 88 Ca 0.07 0.03 -0.06 0.00 0.31 0.00 0.00 61.69 62.04 1fun s THR 88 Cb -0.08 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 1fun s THR 88 CO 0.01 0.55 0.10 0.00 -0.69 0.00 0.00 174.62 174.59 1fun s ALA 89 N -0.43 3.67 0.75 7.40 0.00 0.68 -4.42 121.76 129.40 1fun s ALA 89 Ca 0.10 -0.70 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 1fun s ALA 89 Cb -0.12 -1.88 0.12 0.00 0.00 0.00 0.00 23.12 21.24 1fun s ALA 89 CO 0.02 0.50 0.76 -0.40 0.00 0.00 0.00 175.76 176.64 1fun n ASP 90 N 2.39 0.65 0.23 0.00 5.68 -1.00 -0.46 116.55 124.05 1fun n ASP 90 Ca -0.19 -1.64 0.18 0.00 -0.50 0.00 0.00 54.79 52.64 1fun n ASP 90 Cb 0.54 -0.53 0.80 0.00 -1.14 0.00 0.00 41.12 40.79 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 -0.64 0.11 1.57 -1.97 0.22 116.57 115.86 1fun h LYS 91 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1fun h LYS 91 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1fun h LYS 91 CO 0.23 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.86 1fun n ASP 92 N -3.28 4.34 -2.10 0.86 8.00 -1.26 -4.89 116.55 118.23 1fun n ASP 92 Ca 0.02 -2.29 -0.17 0.00 0.71 0.00 0.00 54.79 53.05 1fun n ASP 92 Cb 0.46 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 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 1.18 -0.33 3.35 0.44 0.00 0.77 -4.69 105.19 105.91 1fun n GLY 93 Ca 0.24 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.91 2.90 -0.33 1.61 1.01 -1.26 -0.84 120.40 120.58 1fun s VAL 94 Ca 0.06 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 1fun s VAL 94 Cb -0.03 -2.20 0.05 0.00 0.00 0.00 0.00 36.38 34.20 1fun s VAL 94 CO 0.08 0.53 0.07 0.00 0.00 0.00 0.00 175.10 175.78 1fun s ALA 95 N 0.29 2.96 -0.96 5.51 0.00 0.27 -2.37 121.76 127.45 1fun s ALA 95 Ca -0.11 -1.86 -0.17 0.00 0.00 0.00 0.00 51.96 49.82 1fun s ALA 95 Cb -0.16 -2.14 0.16 0.00 0.00 0.00 0.00 23.12 20.97 1fun s ALA 95 CO 0.06 -1.37 1.11 -0.51 0.00 0.00 0.00 175.76 175.05 1fun s ASP 96 N 1.41 6.74 0.37 0.00 1.01 -1.26 -0.70 116.67 124.25 1fun s ASP 96 Ca -0.02 -2.34 -0.28 0.00 0.71 0.00 0.00 52.55 50.62 1fun s ASP 96 Cb -0.20 -2.36 -0.11 0.00 1.01 0.00 0.00 42.92 41.26 1fun s ASP 96 CO 0.00 -0.91 1.49 0.52 0.21 0.00 0.00 175.17 176.48 1fun n VAL 97 N 5.02 1.97 -3.01 -1.27 0.31 -0.57 -4.94 118.33 115.85 1fun n VAL 97 Ca 0.24 -0.49 -0.04 0.00 -0.01 0.00 0.00 64.34 64.04 1fun n VAL 97 Cb 0.47 -1.96 -0.01 0.00 -0.91 0.00 0.00 33.84 31.43 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 -0.12 -1.21 0.10 4.52 0.15 -1.25 -3.06 113.70 112.83 1fun s SER 98 Ca 0.53 -1.40 0.09 0.00 0.70 0.00 0.00 55.95 55.88 1fun s SER 98 Cb -0.48 1.75 -0.03 0.00 -1.71 0.00 0.00 66.02 65.54 1fun s SER 98 CO 0.63 -0.12 -0.24 -0.63 1.20 0.00 0.00 173.24 174.09 1fun s ILE 99 N 1.27 1.94 -0.06 6.45 1.01 -0.45 -5.03 121.20 126.33 1fun s ILE 99 Ca 0.24 -1.56 -0.01 0.00 0.00 0.00 0.00 60.65 59.32 1fun s ILE 99 Cb -0.02 -1.72 0.03 0.00 0.01 0.00 0.00 42.46 40.75 1fun s ILE 99 CO -0.06 0.07 -0.01 -0.70 0.00 0.00 0.00 174.94 174.24 1fun s GLU 100 N -1.80 0.61 0.12 2.79 2.12 -1.26 -0.63 118.70 120.66 1fun s GLU 100 Ca 0.10 0.06 0.07 0.00 0.36 0.00 0.00 54.97 55.56 1fun s GLU 100 Cb -0.10 -0.89 -0.04 0.00 0.26 0.00 0.00 34.13 33.37 1fun s GLU 100 CO 0.04 -0.24 -0.17 0.34 -0.54 0.00 0.00 175.26 174.69 1fun s ASP 101 N 1.66 2.29 0.00 -1.70 2.15 0.23 -4.94 116.67 116.36 1fun s ASP 101 Ca 0.00 -0.76 0.13 0.00 0.43 0.00 0.00 52.55 52.35 1fun s ASP 101 Cb -0.13 -0.11 -0.03 0.00 -0.30 0.00 0.00 42.92 42.36 1fun s ASP 101 CO -0.04 -0.05 0.69 -1.20 -0.17 0.00 0.00 175.17 174.41 1fun n SER 102 N 0.75 1.25 -0.04 -0.34 7.64 -1.26 0.37 113.62 121.98 1fun n SER 102 Ca -0.17 -1.12 -0.17 0.00 1.01 0.00 0.00 58.87 58.41 1fun n SER 102 Cb 0.56 0.56 -0.14 0.00 -1.01 0.00 0.00 64.21 64.18 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 -0.39 1.65 -2.13 0.44 0.31 -1.26 -4.81 118.33 112.14 1fun n VAL 103 Ca 0.05 -0.68 -0.31 0.00 -0.01 0.00 0.00 64.34 63.39 1fun n VAL 103 Cb 0.25 -1.43 -0.01 0.00 -0.91 0.00 0.00 33.84 31.74 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 -2.55 4.66 0.13 2.52 -4.36 -1.26 -4.99 121.20 115.34 1fun s ILE 104 Ca -0.21 0.95 -0.11 0.00 -0.26 0.00 0.00 60.65 61.02 1fun s ILE 104 Cb 0.07 -3.81 0.00 0.00 1.25 0.00 0.00 42.46 39.98 1fun s ILE 104 CO 0.74 -0.95 0.28 -0.55 0.24 0.00 0.00 174.94 174.70 1fun s SER 105 N -3.76 0.01 0.00 4.36 0.15 -1.03 -4.54 113.70 108.89 1fun s SER 105 Ca 0.56 -0.65 0.22 0.00 0.70 0.00 0.00 55.95 56.78 1fun s SER 105 Cb -0.11 0.41 0.57 0.00 -1.71 0.00 0.00 66.02 65.18 1fun s SER 105 CO 0.45 -0.82 1.48 0.18 1.20 0.00 0.00 173.24 175.73 1fun n LEU 106 N -0.16 3.76 -3.86 3.45 4.77 -1.26 -0.66 117.00 123.04 1fun n LEU 106 Ca -0.13 -1.87 -0.11 0.00 -0.03 0.00 0.00 56.01 53.87 1fun n LEU 106 Cb 0.63 -0.41 -0.11 0.00 -2.33 0.00 0.00 43.42 41.20 1fun n LEU 106 CO 0.22 0.91 -0.20 -0.44 -1.33 0.00 0.00 177.39 176.54 1fun s SER 107 N -1.11 -0.03 0.16 -1.43 0.01 -1.26 -4.77 113.70 105.27 1fun s SER 107 Ca 0.44 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1fun s SER 107 Cb 0.24 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.70 1fun s SER 107 CO 0.32 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.35 1fun n GLY 108 N 2.13 -1.54 0.34 3.44 0.00 -1.26 -4.02 105.19 104.28 1fun n GLY 108 Ca -0.18 -1.30 0.02 0.00 0.00 0.00 0.00 46.02 44.56 1fun n GLY 108 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1fun h ASP 109 N 0.00 0.91 0.00 1.61 3.58 -2.00 -1.53 116.42 118.99 1fun h ASP 109 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1fun h ASP 109 Cb 0.00 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.88 1fun h ASP 109 CO 0.00 0.57 0.00 1.41 -2.88 0.00 0.00 179.24 178.34 1fun n HIS 110 N -4.58 0.00 -2.45 0.28 8.25 -1.26 -4.87 115.22 110.58 1fun n HIS 110 Ca 0.14 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.18 1fun n HIS 110 Cb 0.20 -0.09 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 1fun n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1fun s SER 111 N -0.07 7.07 0.00 0.41 0.15 -0.58 -2.47 113.70 118.21 1fun s SER 111 Ca 0.00 1.88 0.27 0.00 0.70 0.00 0.00 55.95 58.80 1fun s SER 111 Cb 0.00 -2.57 1.13 0.00 -1.71 0.00 0.00 66.02 62.88 1fun s SER 111 CO 0.00 -0.54 1.78 2.30 1.20 0.00 0.00 173.24 177.99 1fun n ILE 112 N 4.36 0.04 -2.18 6.45 -5.35 0.17 -4.89 119.36 117.97 1fun n ILE 112 Ca 0.10 -0.22 -0.42 0.00 -0.27 0.00 0.00 62.75 61.94 1fun n ILE 112 Cb 0.46 0.27 -0.03 0.00 -1.74 0.00 0.00 39.64 38.61 1fun n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1fun s ILE 113 N -1.96 3.75 0.00 7.28 -1.09 -1.26 -2.51 121.20 125.41 1fun s ILE 113 Ca 0.38 1.03 0.00 0.00 -2.23 0.00 0.00 60.65 59.83 1fun s ILE 113 Cb 0.20 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.42 1fun s ILE 113 CO 0.32 -0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.59 1fun n GLY 114 N 3.82 0.79 3.79 6.18 0.00 0.84 -5.00 105.19 115.61 1fun n GLY 114 Ca 0.15 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.62 2.23 -0.16 1.61 0.52 -1.04 -2.93 118.95 118.55 1fun s ARG 115 Ca 0.00 -2.00 -0.09 0.00 -0.52 0.00 0.00 55.73 53.12 1fun s ARG 115 Cb 0.00 -1.92 -0.05 0.00 0.52 0.00 0.00 34.95 33.50 1fun s ARG 115 CO 0.00 -0.30 0.14 0.99 0.02 0.00 0.00 175.30 176.15 1fun s THR 116 N -2.70 5.45 -0.10 0.02 2.01 -1.13 0.21 115.64 119.40 1fun s THR 116 Ca 0.32 0.20 -0.12 0.00 0.31 0.00 0.00 61.69 62.41 1fun s THR 116 Cb 0.02 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 1fun s THR 116 CO 0.18 0.52 0.28 -0.22 -0.69 0.00 0.00 174.62 174.69 1fun s LEU 117 N -0.26 4.36 -0.02 4.42 2.96 -0.20 -0.01 118.68 129.93 1fun s LEU 117 Ca 0.11 0.63 0.01 0.00 -0.22 0.00 0.00 54.13 54.66 1fun s LEU 117 Cb -0.11 -2.34 0.01 0.00 0.50 0.00 0.00 46.19 44.24 1fun s LEU 117 CO 0.01 0.26 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.57 1fun s VAL 118 N -0.44 0.37 -0.19 1.68 1.01 -0.77 -1.43 120.40 120.64 1fun s VAL 118 Ca 0.18 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 1fun s VAL 118 Cb -0.14 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 1fun s VAL 118 CO 0.07 0.14 -0.04 0.54 0.00 0.00 0.00 175.10 175.81 1fun s VAL 119 N 0.37 3.65 0.65 2.92 0.11 -0.17 -2.49 120.40 125.44 1fun s VAL 119 Ca -0.04 -0.42 -0.07 0.00 -2.93 0.00 0.00 61.98 58.52 1fun s VAL 119 Cb -0.08 -2.63 0.03 0.00 -1.53 0.00 0.00 36.38 32.18 1fun s VAL 119 CO -0.00 0.45 0.96 -1.00 -3.33 0.00 0.00 175.10 172.18 1fun s HIS 120 N 0.95 3.11 -0.07 1.54 3.76 0.28 -1.45 115.29 123.41 1fun s HIS 120 Ca 0.00 0.58 -0.12 0.00 -0.15 0.00 0.00 55.06 55.37 1fun s HIS 120 Cb -0.15 -2.96 -0.08 0.00 1.11 0.00 0.00 32.58 30.50 1fun s HIS 120 CO 0.01 -1.11 0.46 1.49 -0.85 0.00 0.00 174.74 174.75 1fun h GLU 121 N -0.39 -0.25 -6.48 1.40 4.81 -0.62 -3.38 114.58 109.67 1fun h GLU 121 Ca -0.45 0.02 -0.43 0.00 -0.13 0.00 0.00 59.36 58.36 1fun h GLU 121 Cb 1.28 0.06 0.02 0.00 0.63 0.00 0.00 28.75 30.74 1fun h GLU 121 CO 0.61 -0.04 -0.24 0.15 -0.73 0.00 0.00 179.01 178.75 1fun s LYS 122 N -2.66 2.93 0.49 1.92 1.02 0.21 -4.83 119.74 118.82 1fun s LYS 122 Ca -0.07 -0.99 -0.20 0.00 0.02 0.00 0.00 55.97 54.73 1fun s LYS 122 Cb 0.00 -2.72 -0.08 0.00 -0.52 0.00 0.00 37.83 34.51 1fun s LYS 122 CO 0.23 -0.20 1.05 0.00 -0.92 0.00 0.00 175.35 175.50 1fun s ALA 123 N -2.36 2.86 -0.17 5.17 0.00 -1.25 -2.24 121.76 123.77 1fun s ALA 123 Ca 0.51 0.63 -0.29 0.00 0.00 0.00 0.00 51.96 52.81 1fun s ALA 123 Cb -0.10 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.75 1fun s ALA 123 CO 0.34 -0.35 1.09 0.34 0.00 0.00 0.00 175.76 177.18 1fun s ASP 124 N -1.95 7.10 0.00 0.00 -1.08 -1.26 -4.02 116.67 115.46 1fun s ASP 124 Ca 0.68 1.52 0.20 0.00 -0.52 0.00 0.00 52.55 54.43 1fun s ASP 124 Cb -0.17 -2.55 1.02 0.00 -1.46 0.00 0.00 42.92 39.76 1fun s ASP 124 CO 0.21 -0.63 1.63 -0.90 0.52 0.00 0.00 175.17 176.00 1fun n ASP 125 N 5.97 0.00 -1.56 -0.34 5.68 0.54 -4.86 116.55 121.98 1fun n ASP 125 Ca 0.12 -0.02 -0.15 0.00 -0.50 0.00 0.00 54.79 54.24 1fun n ASP 125 Cb 0.46 -0.28 -0.03 0.00 -1.14 0.00 0.00 41.12 40.14 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 -1.28 -1.51 0.00 -2.12 4.77 -1.26 -2.39 117.00 113.22 1fun n LEU 126 Ca 0.10 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1fun n LEU 126 Cb 0.16 -2.27 0.00 0.00 -2.33 0.00 0.00 43.42 38.98 1fun n LEU 126 CO 0.15 -0.37 0.00 0.61 -1.33 0.00 0.00 177.39 176.45 1fun n GLY 127 N -1.04 0.52 1.27 -0.72 0.00 -1.24 -3.00 105.19 100.97 1fun n GLY 127 Ca -0.17 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.88 3.61 0.06 1.61 5.02 -1.00 -4.62 118.16 119.95 1fun n LYS 128 Ca 0.00 -2.97 -0.06 0.00 -2.02 0.00 0.00 58.31 53.26 1fun n LYS 128 Cb 0.00 -2.00 -0.11 0.00 -0.02 0.00 0.00 35.03 32.90 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 2.56 0.00 0.00 0.72 0.00 -1.90 -3.48 103.07 100.96 1fun h GLY 129 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1fun h GLY 129 CO 0.33 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.48 1fun n GLY 130 N 1.36 0.78 3.40 4.60 0.00 -1.26 -5.04 105.19 109.02 1fun n GLY 130 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.42 2.06 0.17 1.61 2.20 -1.26 -5.04 114.94 112.26 1fun s ASN 131 Ca 0.00 -1.33 -0.27 0.00 -0.94 0.00 0.00 52.86 50.32 1fun s ASN 131 Cb 0.00 -0.02 0.02 0.00 -2.00 0.00 0.00 41.25 39.25 1fun s ASN 131 CO 0.00 -0.59 1.55 -0.33 -2.94 0.00 0.00 177.10 174.79 1fun h GLU 132 N 2.25 -0.13 -0.86 3.55 4.39 -2.01 -1.82 114.58 119.96 1fun h GLU 132 Ca -0.40 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.36 1fun h GLU 132 Cb 1.24 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.87 1fun h GLU 132 CO 0.67 -0.09 0.56 0.93 -1.16 0.00 0.00 179.01 179.93 1fun h GLU 133 N -0.13 1.01 -0.97 2.33 4.39 -1.99 -2.90 114.58 116.31 1fun h GLU 133 Ca 0.19 -0.06 0.17 0.00 0.34 0.00 0.00 59.36 60.00 1fun h GLU 133 Cb 0.52 -0.23 -0.09 0.00 -0.10 0.00 0.00 28.75 28.86 1fun h GLU 133 CO -0.82 0.67 0.61 1.03 -1.16 0.00 0.00 179.01 179.34 1fun h SER 134 N 1.04 0.71 -0.36 1.42 0.87 -1.65 0.80 113.55 116.39 1fun h SER 134 Ca 0.35 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1fun h SER 134 Cb 0.08 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1fun h SER 134 CO -0.11 0.30 0.00 0.35 -0.53 0.00 0.00 176.83 176.84 1fun n THR 135 N -4.65 1.18 0.00 2.23 -2.24 -1.09 -1.91 114.28 107.79 1fun n THR 135 Ca 0.21 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1fun n THR 135 Cb 0.55 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1fun n THR 135 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1fun n GLU 136 N 0.50 0.66 0.00 -0.78 2.13 -0.08 -2.16 120.64 120.91 1fun n GLU 136 Ca 0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.97 1fun n GLU 136 Cb 0.62 -0.79 0.00 0.00 0.27 0.00 0.00 31.44 31.54 1fun n GLU 136 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1fun n THR 137 N -1.89 0.00 -1.01 6.31 -2.24 0.08 -4.80 114.28 110.73 1fun n THR 137 Ca 0.00 -0.05 -0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1fun n THR 137 Cb 0.29 1.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.52 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 0.10 0.42 2.46 3.38 0.00 -0.80 -2.96 105.19 107.79 1fun n GLY 138 Ca 0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.08 -5.78 0.30 1.61 5.03 -1.25 -0.34 115.26 114.75 1fun n ASN 139 Ca -0.00 -0.05 0.19 0.00 0.87 0.00 0.00 54.58 55.58 1fun n ASN 139 Cb 0.11 -4.77 0.88 0.00 -1.02 0.00 0.00 39.78 34.98 1fun n ASN 139 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1fun h ALA 140 N 0.96 1.02 0.00 5.41 0.00 -1.67 -3.43 119.26 121.55 1fun h ALA 140 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1fun h ALA 140 Cb 1.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1fun h ALA 140 CO 0.56 0.02 0.00 0.41 0.00 0.00 0.00 179.25 180.24 1fun n GLY 141 N -0.41 -1.75 3.83 0.00 0.00 -1.26 0.67 105.19 106.27 1fun n GLY 141 Ca -0.01 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.00 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 4.72 -0.60 1.61 1.04 -1.26 -4.62 113.70 110.59 1fun s SER 142 Ca 0.00 1.21 -0.21 0.00 0.48 0.00 0.00 55.95 57.43 1fun s SER 142 Cb 0.00 -1.95 0.08 0.00 0.10 0.00 0.00 66.02 64.25 1fun s SER 142 CO 0.00 -1.81 0.83 -0.13 0.98 0.00 0.00 173.24 173.10 1fun s ARG 143 N -5.24 3.11 0.06 4.02 0.52 -1.26 -0.16 118.95 120.00 1fun s ARG 143 Ca 0.60 -0.94 -0.18 0.00 -0.52 0.00 0.00 55.73 54.69 1fun s ARG 143 Cb -0.13 -4.20 -0.13 0.00 0.52 0.00 0.00 34.95 31.00 1fun s ARG 143 CO 0.53 -1.61 1.34 -0.07 0.02 0.00 0.00 175.30 175.52 1fun h LEU 144 N 10.62 0.53 -7.42 2.53 3.38 -1.54 -3.47 115.31 119.94 1fun h LEU 144 Ca -0.29 -0.51 -0.11 0.00 0.09 0.00 0.00 57.88 57.06 1fun h LEU 144 Cb 1.08 -0.15 -0.21 0.00 0.09 0.00 0.00 40.66 41.47 1fun h LEU 144 CO 1.11 0.94 -0.22 0.00 0.09 0.00 0.00 178.44 180.37 1fun s ALA 145 N -4.19 -0.94 0.20 1.53 0.00 -1.17 -4.39 121.76 112.81 1fun s ALA 145 Ca -0.13 0.58 -0.07 0.00 0.00 0.00 0.00 51.96 52.34 1fun s ALA 145 Cb 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1fun s ALA 145 CO 0.79 -0.26 0.27 0.00 0.00 0.00 0.00 175.76 176.56 1fun s GLY 147 N -3.07 -0.38 0.34 0.00 0.00 -0.51 -1.86 107.32 101.84 1fun s GLY 147 Ca 0.28 2.20 -0.27 0.00 0.00 0.00 0.00 44.72 46.93 1fun s GLY 147 CO 0.08 1.66 1.11 0.14 0.00 0.00 0.00 173.10 176.09 1fun s VAL 148 N 0.07 3.42 -0.22 1.40 1.01 -1.26 -1.04 120.40 123.78 1fun s VAL 148 Ca -0.00 1.27 -0.22 0.00 0.00 0.00 0.00 61.98 63.04 1fun s VAL 148 Cb -0.04 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1fun s VAL 148 CO -0.01 0.19 0.68 -0.63 0.00 0.00 0.00 175.10 175.33 1fun s ILE 149 N -1.36 4.97 0.27 2.22 1.01 0.13 -4.43 121.20 124.03 1fun s ILE 149 Ca 0.51 1.26 0.11 0.00 0.00 0.00 0.00 60.65 62.54 1fun s ILE 149 Cb -0.29 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 1fun s ILE 149 CO 0.37 0.05 -0.15 -0.83 0.00 0.00 0.00 174.94 174.38 1fun s GLY 150 N 1.31 1.82 -0.17 6.18 0.00 -0.07 -0.11 107.32 116.28 1fun s GLY 150 Ca 0.30 -1.81 -0.29 0.00 0.00 0.00 0.00 44.72 42.91 1fun s GLY 150 CO 0.09 -1.89 1.26 -0.42 0.00 0.00 0.00 173.10 172.14 1fun s ILE 151 N -2.43 4.29 0.44 0.90 1.01 -1.26 0.08 121.20 124.22 1fun s ILE 151 Ca 0.30 1.55 -0.02 0.00 0.00 0.00 0.00 60.65 62.49 1fun s ILE 151 Cb -0.05 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 1fun s ILE 151 CO 0.16 -0.15 0.68 0.00 0.00 0.00 0.00 174.94 175.63 1fun s ALA 152 N 3.53 3.61 -2.00 9.38 0.00 -0.15 -4.85 121.76 131.28 1fun s ALA 152 Ca 0.54 -0.84 0.17 0.00 0.00 0.00 0.00 51.96 51.84 1fun s ALA 152 Cb -0.21 -2.28 1.02 0.00 0.00 0.00 0.00 23.12 21.65 1fun s ALA 152 CO 0.15 -0.29 1.43 0.94 0.00 0.00 0.00 175.76 177.99