#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hce s GLY 2 N 0.00 -0.13 -0.35 3.03 0.00 -1.02 -4.88 107.32 103.97 1hce s GLY 2 Ca 0.00 0.41 0.15 0.00 0.00 0.00 0.00 44.72 45.28 1hce s GLY 2 CO 0.00 0.27 0.85 -2.01 0.00 0.00 0.00 173.10 172.20 1hce n ASN 3 N 2.03 1.08 0.00 1.64 2.85 -1.22 -0.81 115.26 120.83 1hce n ASN 3 Ca -0.18 -2.86 0.00 0.00 -0.11 0.00 0.00 54.58 51.43 1hce n ASN 3 Cb 0.57 -0.53 0.00 0.00 1.24 0.00 0.00 39.78 41.05 1hce n ASN 3 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1hce n ARG 4 N 0.10 0.00 -3.84 1.20 0.63 0.87 -4.56 116.66 111.07 1hce n ARG 4 Ca 0.17 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 57.02 1hce n ARG 4 Cb 0.74 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.65 1hce n ARG 4 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1hce s ALA 5 N -1.00 -1.09 -0.18 5.13 0.00 -0.99 -0.28 121.76 123.35 1hce s ALA 5 Ca 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 1hce s ALA 5 Cb 0.00 0.78 -0.00 0.00 0.00 0.00 0.00 23.12 23.90 1hce s ALA 5 CO 0.00 -1.02 -0.11 -0.06 0.00 0.00 0.00 175.76 174.57 1hce s PHE 6 N -3.33 2.87 0.00 0.00 0.40 -1.21 -1.11 117.98 115.61 1hce s PHE 6 Ca 0.13 -0.99 -0.30 0.00 -0.60 0.00 0.00 56.93 55.16 1hce s PHE 6 Cb -0.05 -1.98 -0.03 0.00 0.51 0.00 0.00 43.02 41.46 1hce s PHE 6 CO 0.08 -0.50 0.99 0.21 0.70 0.00 0.00 175.22 176.71 1hce s LYS 7 N 1.07 4.55 -0.81 0.44 2.20 -0.76 -0.11 119.74 126.33 1hce s LYS 7 Ca 0.00 1.44 0.02 0.00 -0.36 0.00 0.00 55.97 57.07 1hce s LYS 7 Cb -0.15 -3.45 0.29 0.00 -1.51 0.00 0.00 37.83 33.01 1hce s LYS 7 CO -0.02 -0.06 1.12 0.43 -0.36 0.00 0.00 175.35 176.46 1hce n SER 8 N 3.89 5.09 -1.34 1.43 7.64 0.04 -0.65 113.62 129.73 1hce n SER 8 Ca 0.06 -3.50 0.18 0.00 1.01 0.00 0.00 58.87 56.62 1hce n SER 8 Cb 0.51 -0.89 -0.05 0.00 -1.01 0.00 0.00 64.21 62.77 1hce n SER 8 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1hce n HIS 9 N 0.71 -3.38 0.00 1.43 8.25 -1.26 -4.65 115.22 116.32 1hce n HIS 9 Ca 0.31 1.70 0.00 0.00 -0.26 0.00 0.00 57.72 59.47 1hce n HIS 9 Cb 0.37 -3.07 0.00 0.00 1.12 0.00 0.00 29.99 28.41 1hce n HIS 9 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1hce n HIS 10 N -4.04 0.00 0.00 4.41 -0.00 -1.26 -2.17 115.22 112.16 1hce n HIS 10 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1hce n HIS 10 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.60 1hce n HIS 10 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1hce n GLY 11 N 0.00 0.10 3.61 1.57 0.00 -1.26 -5.14 105.19 104.07 1hce n GLY 11 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1hce n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hce s HIS 12 N -0.99 2.83 -0.03 1.61 3.76 -0.92 -4.38 115.29 117.17 1hce s HIS 12 Ca 0.00 -0.10 0.05 0.00 -0.15 0.00 0.00 55.06 54.86 1hce s HIS 12 Cb 0.00 -1.48 -0.01 0.00 1.11 0.00 0.00 32.58 32.20 1hce s HIS 12 CO 0.00 0.44 -0.18 -0.06 -0.85 0.00 0.00 174.74 174.08 1hce s PHE 13 N -1.22 1.74 0.12 1.40 0.08 0.21 -0.78 117.98 119.54 1hce s PHE 13 Ca 0.22 -0.41 -0.35 0.00 0.12 0.00 0.00 56.93 56.51 1hce s PHE 13 Cb -0.11 -1.14 -0.16 0.00 -0.57 0.00 0.00 43.02 41.04 1hce s PHE 13 CO 0.14 -0.10 1.42 1.28 -0.10 0.00 0.00 175.22 177.86 1hce n LEU 14 N 2.86 2.21 0.00 -0.37 4.77 0.84 -1.86 117.00 125.44 1hce n LEU 14 Ca -0.16 1.11 -0.17 0.00 -0.03 0.00 0.00 56.01 56.76 1hce n LEU 14 Cb 0.53 -1.28 -0.06 0.00 -2.33 0.00 0.00 43.42 40.27 1hce n LEU 14 CO 0.24 -0.77 -0.09 -0.24 -1.33 0.00 0.00 177.39 175.20 1hce n SER 15 N 2.79 -0.26 -4.84 -1.43 2.88 0.71 -3.33 113.62 110.14 1hce n SER 15 Ca 0.17 -2.78 -0.23 0.00 -1.33 0.00 0.00 58.87 54.71 1hce n SER 15 Cb 0.23 1.27 -0.04 0.00 -0.75 0.00 0.00 64.21 64.92 1hce n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hce s ALA 16 N -3.06 3.97 -0.30 -1.46 0.00 0.40 -1.59 121.76 119.71 1hce s ALA 16 Ca 0.30 -1.87 -0.16 0.00 0.00 0.00 0.00 51.96 50.23 1hce s ALA 16 Cb 0.01 -0.77 0.17 0.00 0.00 0.00 0.00 23.12 22.54 1hce s ALA 16 CO 0.21 -0.24 1.07 -2.00 0.00 0.00 0.00 175.76 174.80 1hce s GLU 17 N -4.08 0.24 6.58 0.00 -6.30 0.25 -4.67 118.70 110.72 1hce s GLU 17 Ca 0.44 0.51 0.00 0.00 -2.50 0.00 0.00 54.97 53.42 1hce s GLU 17 Cb -0.01 0.22 0.00 0.00 0.00 0.00 0.00 34.13 34.34 1hce s GLU 17 CO 0.25 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.87 1hce n GLY 18 N 4.32 3.68 2.02 -1.50 0.00 -1.26 -1.41 105.19 111.03 1hce n GLY 18 Ca -0.12 0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 1hce n GLY 18 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1hce n GLU 19 N 14.00 2.81 -3.60 1.61 -0.00 -1.26 -5.00 120.64 129.20 1hce n GLU 19 Ca 0.00 -3.54 -0.09 0.00 -0.00 0.00 0.00 57.16 53.53 1hce n GLU 19 Cb 0.00 -2.19 -0.02 0.00 -0.00 0.00 0.00 31.44 29.23 1hce n GLU 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1hce s ALA 20 N -3.61 -1.56 0.07 -1.84 0.00 -0.50 -5.14 121.76 109.18 1hce s ALA 20 Ca 0.56 0.35 -0.21 0.00 0.00 0.00 0.00 51.96 52.66 1hce s ALA 20 Cb 0.46 0.74 -0.07 0.00 0.00 0.00 0.00 23.12 24.25 1hce s ALA 20 CO 0.02 -0.86 0.61 0.08 0.00 0.00 0.00 175.76 175.60 1hce s VAL 21 N -3.59 4.72 0.00 0.00 1.01 -1.26 -0.58 120.40 120.70 1hce s VAL 21 Ca 0.06 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.34 1hce s VAL 21 Cb -0.02 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1hce s VAL 21 CO -0.05 0.52 0.00 0.29 0.00 0.00 0.00 175.10 175.86 1hce n LYS 22 N 1.94 0.02 -3.96 2.72 4.76 -0.62 -4.90 118.16 118.11 1hce n LYS 22 Ca -0.09 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.15 1hce n LYS 22 Cb 0.50 0.00 -0.17 0.00 -1.84 0.00 0.00 35.03 33.53 1hce n LYS 22 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1hce s THR 23 N -1.88 0.37 0.43 -0.18 -4.23 -1.26 -0.21 115.64 108.68 1hce s THR 23 Ca 0.00 0.03 0.04 0.00 -1.18 0.00 0.00 61.69 60.58 1hce s THR 23 Cb 0.00 -0.46 -0.01 0.00 1.34 0.00 0.00 72.50 73.36 1hce s THR 23 CO 0.00 0.21 0.14 1.41 -0.54 0.00 0.00 174.62 175.85 1hce n HIS 24 N 4.45 0.19 0.00 3.99 8.25 -0.78 -4.80 115.22 126.51 1hce n HIS 24 Ca -0.19 -2.70 0.00 0.00 -0.26 0.00 0.00 57.72 54.57 1hce n HIS 24 Cb 0.50 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1hce n HIS 24 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1hce n HIS 25 N -0.96 0.00 0.00 4.41 8.25 -1.26 0.65 115.22 126.31 1hce n HIS 25 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1hce n HIS 25 Cb 0.63 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.74 1hce n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hce n GLY 26 N 3.73 0.86 7.00 -1.41 0.00 -1.26 -4.21 105.19 109.91 1hce n GLY 26 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1hce n GLY 26 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1hce n HIS 27 N 0.00 0.00 -2.18 1.61 -0.00 -1.26 -4.92 115.22 108.47 1hce n HIS 27 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.45 1hce n HIS 27 Cb 0.00 0.01 0.06 0.00 -0.00 0.00 0.00 29.99 30.06 1hce n HIS 27 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1hce s HIS 28 N 0.00 3.02 0.00 1.57 4.02 -1.26 -4.88 115.29 117.76 1hce s HIS 28 Ca 0.00 0.57 0.00 0.00 1.02 0.00 0.00 55.06 56.65 1hce s HIS 28 Cb 0.00 -3.13 0.00 0.00 -1.02 0.00 0.00 32.58 28.43 1hce s HIS 28 CO 0.00 -1.31 0.00 -0.25 1.02 0.00 0.00 174.74 174.20 1hce n ASP 29 N -2.90 0.00 0.00 1.40 8.00 -1.26 -4.98 116.55 116.81 1hce n ASP 29 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1hce n ASP 29 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 1hce n ASP 29 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1hce n HIS 30 N 11.71 0.00 -2.02 1.24 8.25 -1.26 -5.05 115.22 128.09 1hce n HIS 30 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.40 1hce n HIS 30 Cb 0.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 1hce n HIS 30 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1hce n HIS 31 N 3.94 -1.36 -2.49 4.41 8.25 -1.26 -4.54 115.22 122.16 1hce n HIS 31 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1hce n HIS 31 Cb 0.00 -1.81 0.07 0.00 1.12 0.00 0.00 29.99 29.37 1hce n HIS 31 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1hce n THR 32 N -2.40 0.00 -1.45 1.59 5.66 -1.26 -4.98 114.28 111.45 1hce n THR 32 Ca -0.07 -0.66 -0.17 0.00 -3.05 0.00 0.00 64.05 60.10 1hce n THR 32 Cb 0.43 0.81 0.12 0.00 -1.55 0.00 0.00 70.33 70.15 1hce n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1hce n HIS 33 N -1.03 -3.94 -3.81 1.09 1.44 -1.26 -0.46 115.22 107.25 1hce n HIS 33 Ca -0.16 -0.68 -0.13 0.00 -2.01 0.00 0.00 57.72 54.74 1hce n HIS 33 Cb 0.77 -0.61 -0.14 0.00 0.12 0.00 0.00 29.99 30.13 1hce n HIS 33 CO 0.00 0.00 0.00 0.12 -2.81 0.00 0.00 176.34 173.65 1hce s PHE 34 N -2.64 -0.05 -0.13 -1.40 5.36 0.62 -4.61 117.98 115.12 1hce s PHE 34 Ca 0.44 0.20 -0.01 0.00 -0.96 0.00 0.00 56.93 56.60 1hce s PHE 34 Cb -0.02 -0.07 -0.02 0.00 -0.34 0.00 0.00 43.02 42.58 1hce s PHE 34 CO 0.31 -0.07 -0.11 -1.58 -1.46 0.00 0.00 175.22 172.32 1hce s HIS 35 N 0.51 2.86 -0.11 10.12 2.46 -0.98 -0.09 115.29 130.06 1hce s HIS 35 Ca -0.04 -0.55 -0.06 0.00 0.47 0.00 0.00 55.06 54.88 1hce s HIS 35 Cb -0.06 -1.87 -0.04 0.00 -0.13 0.00 0.00 32.58 30.49 1hce s HIS 35 CO -0.02 -0.16 0.14 0.08 -2.47 0.00 0.00 174.74 172.31 1hce s VAL 36 N 0.33 5.45 -0.13 0.89 1.01 0.01 -1.25 120.40 126.71 1hce s VAL 36 Ca -0.09 0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.79 1hce s VAL 36 Cb -0.15 -3.38 0.06 0.00 0.00 0.00 0.00 36.38 32.91 1hce s VAL 36 CO 0.05 0.60 0.63 -0.70 0.00 0.00 0.00 175.10 175.68 1hce s GLU 37 N -1.10 0.90 0.69 2.72 2.56 -0.56 -2.44 118.70 121.47 1hce s GLU 37 Ca 0.16 0.48 -0.12 0.00 0.00 0.00 0.00 54.97 55.49 1hce s GLU 37 Cb -0.12 0.43 0.01 0.00 2.00 0.00 0.00 34.13 36.44 1hce s GLU 37 CO 0.05 -0.22 1.07 -0.80 -0.56 0.00 0.00 175.26 174.80 1hce s ASN 38 N -0.56 5.29 -0.31 -1.70 -0.87 -1.26 -0.40 114.94 115.12 1hce s ASN 38 Ca -0.07 1.71 0.02 0.00 -1.57 0.00 0.00 52.86 52.95 1hce s ASN 38 Cb -0.02 -2.51 0.15 0.00 -0.02 0.00 0.00 41.25 38.85 1hce s ASN 38 CO 0.06 -1.50 0.38 -1.00 -2.57 0.00 0.00 177.10 172.46 1hce s HIS 39 N -2.88 -0.76 0.00 2.20 3.76 0.21 -4.69 115.29 113.13 1hce s HIS 39 Ca 0.60 -0.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.49 1hce s HIS 39 Cb -0.15 -0.27 0.00 0.00 1.11 0.00 0.00 32.58 33.27 1hce s HIS 39 CO 0.51 -0.97 0.00 0.41 -0.85 0.00 0.00 174.74 173.84 1hce n GLY 40 N 5.12 3.35 0.00 -2.22 0.00 -1.26 -0.99 105.19 109.19 1hce n GLY 40 Ca 0.02 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.22 1hce n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hce n GLY 41 N 0.00 -0.70 0.00 -0.02 0.00 -1.26 -4.87 105.19 98.34 1hce n GLY 41 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1hce n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hce n LYS 42 N -0.97 0.00 -4.32 1.61 4.01 -0.16 -5.05 118.16 113.28 1hce n LYS 42 Ca 0.16 0.00 -0.23 0.00 -0.51 0.00 0.00 58.31 57.72 1hce n LYS 42 Cb 0.07 0.00 -0.12 0.00 -0.51 0.00 0.00 35.03 34.47 1hce n LYS 42 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1hce s VAL 43 N -2.09 1.82 0.06 -0.18 -7.23 0.32 0.64 120.40 113.75 1hce s VAL 43 Ca 0.00 -1.74 0.08 0.00 -1.81 0.00 0.00 61.98 58.51 1hce s VAL 43 Cb 0.00 -1.73 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 1hce s VAL 43 CO 0.00 -0.16 -0.18 0.00 -0.31 0.00 0.00 175.10 174.46 1hce s ALA 44 N -1.55 2.64 -0.23 1.32 0.00 0.46 -0.71 121.76 123.70 1hce s ALA 44 Ca 0.11 -1.24 -0.08 0.00 0.00 0.00 0.00 51.96 50.75 1hce s ALA 44 Cb -0.08 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1hce s ALA 44 CO 0.06 0.58 0.09 -0.51 0.00 0.00 0.00 175.76 175.98 1hce s LEU 45 N -1.67 3.75 -0.09 0.00 2.01 -1.26 -1.50 118.68 119.91 1hce s LEU 45 Ca 0.16 -0.03 -0.03 0.00 0.01 0.00 0.00 54.13 54.24 1hce s LEU 45 Cb -0.11 -1.99 0.05 0.00 0.01 0.00 0.00 46.19 44.15 1hce s LEU 45 CO 0.07 0.06 0.11 -0.75 1.01 0.00 0.00 176.35 176.85 1hce s LYS 46 N 1.07 0.00 0.37 1.70 2.20 -0.38 -3.19 119.74 121.52 1hce s LYS 46 Ca 0.05 0.33 -0.15 0.00 -0.36 0.00 0.00 55.97 55.84 1hce s LYS 46 Cb -0.14 -0.75 -0.09 0.00 -1.51 0.00 0.00 37.83 35.34 1hce s LYS 46 CO 0.04 -0.42 0.80 0.95 -0.36 0.00 0.00 175.35 176.36 1hce s THR 47 N 2.21 4.63 0.00 3.43 -4.23 -0.44 -2.32 115.64 118.93 1hce s THR 47 Ca 0.04 1.01 0.00 0.00 -1.18 0.00 0.00 61.69 61.56 1hce s THR 47 Cb -0.13 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.07 1hce s THR 47 CO -0.06 -0.31 0.00 1.57 -0.54 0.00 0.00 174.62 175.28 1hce n HIS 48 N -0.68 0.00 0.00 3.99 -0.00 -1.26 -3.50 115.22 113.77 1hce n HIS 48 Ca 0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.22 1hce n HIS 48 Cb 0.54 -0.03 0.00 0.00 -0.12 0.00 0.00 29.99 30.38 1hce n HIS 48 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1hce n GLY 50 N 0.00 0.00 2.91 0.00 0.00 -1.23 -5.11 105.19 101.77 1hce n GLY 50 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1hce n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hce s LYS 51 N 0.00 0.08 -0.07 1.61 1.02 -1.26 -4.28 119.74 116.85 1hce s LYS 51 Ca 0.00 0.31 0.04 0.00 0.02 0.00 0.00 55.97 56.33 1hce s LYS 51 Cb 0.00 -0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.17 1hce s LYS 51 CO 0.00 -0.14 -0.18 0.71 -0.92 0.00 0.00 175.35 174.82 1hce s TYR 52 N 0.95 1.92 0.12 3.18 1.51 0.72 -1.32 117.35 124.44 1hce s TYR 52 Ca -0.07 -0.67 -0.31 0.00 -1.01 0.00 0.00 57.07 55.00 1hce s TYR 52 Cb -0.10 -1.31 -0.17 0.00 -0.11 0.00 0.00 41.96 40.27 1hce s TYR 52 CO -0.04 -0.27 0.69 -0.11 -1.11 0.00 0.00 175.55 174.70 1hce n LEU 53 N 3.43 -0.77 -3.90 -1.29 7.94 -1.19 -0.90 117.00 120.31 1hce n LEU 53 Ca -0.20 1.09 -0.10 0.00 -1.11 0.00 0.00 56.01 55.69 1hce n LEU 53 Cb 0.52 -0.90 -0.10 0.00 0.53 0.00 0.00 43.42 43.48 1hce n LEU 53 CO 0.26 -2.50 -0.21 -0.44 -1.11 0.00 0.00 177.39 173.40 1hce s SER 54 N -0.62 0.09 -0.01 1.96 0.01 -0.25 -4.08 113.70 110.80 1hce s SER 54 Ca 0.71 -0.32 0.05 0.00 1.31 0.00 0.00 55.95 57.70 1hce s SER 54 Cb -1.01 0.19 -0.01 0.00 0.21 0.00 0.00 66.02 65.40 1hce s SER 54 CO 0.54 -0.39 -0.16 -0.63 0.41 0.00 0.00 173.24 173.01 1hce s ILE 55 N -1.65 1.26 0.00 1.44 1.01 -1.24 -1.22 121.20 120.80 1hce s ILE 55 Ca -0.13 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 59.84 1hce s ILE 55 Cb -0.07 -1.05 0.00 0.00 0.01 0.00 0.00 42.46 41.36 1hce s ILE 55 CO -0.00 0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.91 1hce n GLY 56 N 2.69 1.24 0.00 6.18 0.00 -0.47 -4.93 105.19 109.89 1hce n GLY 56 Ca -0.14 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1hce n GLY 56 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hce n ASP 57 N 0.00 1.39 -4.29 1.61 8.00 -1.26 -4.74 116.55 117.26 1hce n ASP 57 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.15 1hce n ASP 57 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 1hce n ASP 57 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1hce n HIS 58 N 0.00 -1.48 -4.01 1.24 8.25 -1.26 -0.54 115.22 117.42 1hce n HIS 58 Ca 0.00 0.72 -0.30 0.00 -0.26 0.00 0.00 57.72 57.88 1hce n HIS 58 Cb 0.00 -2.76 -0.00 0.00 1.12 0.00 0.00 29.99 28.35 1hce n HIS 58 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1hce n LYS 59 N -4.34 -4.14 -4.89 -0.41 2.85 -1.26 -4.94 118.16 101.03 1hce n LYS 59 Ca -0.06 0.48 -0.33 0.00 -1.05 0.00 0.00 58.31 57.35 1hce n LYS 59 Cb 0.55 -5.11 -0.14 0.00 -0.65 0.00 0.00 35.03 29.68 1hce n LYS 59 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1hce s GLN 60 N -6.66 3.06 -0.02 -1.58 -1.52 0.30 -4.94 119.66 108.30 1hce s GLN 60 Ca 0.48 -0.72 0.01 0.00 -1.95 0.00 0.00 55.36 53.18 1hce s GLN 60 Cb -0.25 -2.50 0.01 0.00 -0.22 0.00 0.00 33.01 30.05 1hce s GLN 60 CO 0.88 0.33 -0.03 0.54 -0.25 0.00 0.00 175.29 176.76 1hce s VAL 61 N 0.02 0.36 0.00 1.09 0.11 -1.26 -1.37 120.40 119.36 1hce s VAL 61 Ca -0.05 -0.10 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 1hce s VAL 61 Cb -0.15 -0.38 0.00 0.00 -1.53 0.00 0.00 36.38 34.33 1hce s VAL 61 CO 0.04 0.15 0.00 0.00 -3.33 0.00 0.00 175.10 171.97 1hce n TYR 62 N 3.61 0.00 -3.72 1.54 4.11 -0.36 -4.95 117.16 117.40 1hce n TYR 62 Ca -0.21 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.57 1hce n TYR 62 Cb 0.54 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.75 1hce n TYR 62 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.86 176.38 1hce s LEU 63 N 0.00 0.35 0.00 -3.48 0.05 -1.26 -1.09 118.68 113.25 1hce s LEU 63 Ca 0.00 0.54 0.00 0.00 0.05 0.00 0.00 54.13 54.72 1hce s LEU 63 Cb 0.00 0.75 0.00 0.00 -2.05 0.00 0.00 46.19 44.89 1hce s LEU 63 CO 0.00 -0.17 0.00 -0.24 -0.55 0.00 0.00 176.35 175.39 1hce n SER 64 N 4.31 0.78 -1.81 1.48 2.88 -0.08 -4.78 113.62 116.40 1hce n SER 64 Ca -0.24 -0.71 0.00 0.00 -1.33 0.00 0.00 58.87 56.59 1hce n SER 64 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1hce n SER 64 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1hce n HIS 65 N -0.43 -1.89 -2.04 0.66 8.25 -1.26 -0.20 115.22 118.31 1hce n HIS 65 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1hce n HIS 65 Cb 0.00 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.14 1hce n HIS 65 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1hce s HIS 66 N 0.41 2.54 0.00 4.41 -3.43 -1.26 -4.34 115.29 113.61 1hce s HIS 66 Ca 0.00 1.54 0.00 0.00 -0.80 0.00 0.00 55.06 55.80 1hce s HIS 66 Cb 0.00 -3.33 0.00 0.00 -1.43 0.00 0.00 32.58 27.82 1hce s HIS 66 CO 0.00 -1.83 0.00 1.47 -2.00 0.00 0.00 174.74 172.38 1hce n LEU 67 N -1.70 0.00 -4.31 5.38 -0.00 -1.26 -5.11 117.00 109.99 1hce n LEU 67 Ca 0.12 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.84 1hce n LEU 67 Cb 0.51 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.78 1hce n LEU 67 CO 0.44 0.00 -0.55 -1.00 -0.00 0.00 0.00 177.39 176.28 1hce s HIS 68 N -2.00 2.15 -3.80 1.47 3.76 -1.26 -4.83 115.29 110.78 1hce s HIS 68 Ca 0.00 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.51 1hce s HIS 68 Cb 0.00 -1.29 0.00 0.00 1.11 0.00 0.00 32.58 32.40 1hce s HIS 68 CO 0.00 0.12 0.00 0.41 -0.85 0.00 0.00 174.74 174.42 1hce n GLY 69 N 1.79 0.62 3.41 -2.22 0.00 -1.26 -4.98 105.19 102.55 1hce n GLY 69 Ca -0.17 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 43.87 1hce n GLY 69 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1hce n ASP 70 N 0.00 2.10 0.00 1.61 -0.08 -1.26 -4.33 116.55 114.59 1hce n ASP 70 Ca 0.00 -3.16 0.00 0.00 -1.51 0.00 0.00 54.79 50.12 1hce n ASP 70 Cb 0.00 0.75 0.00 0.00 2.34 0.00 0.00 41.12 44.21 1hce n ASP 70 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1hce n HIS 71 N -1.04 0.00 -0.08 -0.67 -0.00 -1.26 -4.13 115.22 108.04 1hce n HIS 71 Ca -0.12 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 57.98 1hce n HIS 71 Cb 0.61 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.46 1hce n HIS 71 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1hce n SER 72 N 2.94 1.73 -4.89 0.26 7.64 -1.26 -3.71 113.62 116.33 1hce n SER 72 Ca 0.00 0.29 -0.29 0.00 1.01 0.00 0.00 58.87 59.88 1hce n SER 72 Cb 0.00 -0.71 -0.01 0.00 -1.01 0.00 0.00 64.21 62.47 1hce n SER 72 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1hce s LEU 73 N -7.60 3.67 0.37 -3.43 0.20 -1.26 -3.94 118.68 106.70 1hce s LEU 73 Ca -0.26 1.09 0.04 0.00 0.69 0.00 0.00 54.13 55.69 1hce s LEU 73 Cb 0.04 -4.02 -0.03 0.00 -0.43 0.00 0.00 46.19 41.74 1hce s LEU 73 CO 0.38 -0.54 0.15 -0.36 -0.29 0.00 0.00 176.35 175.70 1hce s PHE 74 N -2.63 1.75 -0.22 5.38 0.40 0.11 -4.19 117.98 118.59 1hce s PHE 74 Ca 0.50 -1.33 -0.00 0.00 -0.60 0.00 0.00 56.93 55.50 1hce s PHE 74 Cb -0.10 -1.05 0.06 0.00 0.51 0.00 0.00 43.02 42.43 1hce s PHE 74 CO 0.40 -0.40 -0.03 -1.58 0.70 0.00 0.00 175.22 174.31 1hce s HIS 75 N -3.32 1.95 0.05 0.36 2.46 -0.46 -0.52 115.29 115.80 1hce s HIS 75 Ca 0.29 -1.44 0.05 0.00 0.47 0.00 0.00 55.06 54.43 1hce s HIS 75 Cb 0.03 -1.40 -0.02 0.00 -0.13 0.00 0.00 32.58 31.06 1hce s HIS 75 CO 0.17 -0.71 -0.15 -1.17 -2.47 0.00 0.00 174.74 170.41 1hce s LEU 76 N 1.55 2.19 0.03 8.88 1.98 -1.26 0.32 118.68 132.38 1hce s LEU 76 Ca -0.04 -0.49 -0.11 0.00 -2.89 0.00 0.00 54.13 50.60 1hce s LEU 76 Cb -0.18 -0.62 0.01 0.00 0.66 0.00 0.00 46.19 46.06 1hce s LEU 76 CO -0.07 0.02 0.23 -0.70 -1.89 0.00 0.00 176.35 173.95 1hce s GLU 77 N -1.27 0.71 1.01 1.98 2.12 0.12 -4.90 118.70 118.47 1hce s GLU 77 Ca 0.01 -0.54 -0.16 0.00 0.36 0.00 0.00 54.97 54.65 1hce s GLU 77 Cb -0.08 0.30 0.20 0.00 0.26 0.00 0.00 34.13 34.81 1hce s GLU 77 CO 0.02 -0.21 1.22 -1.01 -0.54 0.00 0.00 175.26 174.74 1hce s HIS 78 N -2.36 1.55 -0.51 5.30 3.76 -1.26 -0.20 115.29 121.58 1hce s HIS 78 Ca -0.07 0.50 0.07 0.00 -0.15 0.00 0.00 55.06 55.41 1hce s HIS 78 Cb -0.02 -3.76 0.20 0.00 1.11 0.00 0.00 32.58 30.11 1hce s HIS 78 CO -0.03 -2.88 0.72 1.58 -0.85 0.00 0.00 174.74 173.28 1hce n HIS 79 N -4.01 -3.51 0.00 1.40 -0.00 0.13 -4.64 115.22 104.59 1hce n HIS 79 Ca 0.13 -1.59 0.00 0.00 0.46 0.00 0.00 57.72 56.71 1hce n HIS 79 Cb 0.60 1.38 0.00 0.00 -0.12 0.00 0.00 29.99 31.85 1hce n HIS 79 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1hce n GLY 80 N 2.74 1.24 0.00 1.57 0.00 -1.26 -0.32 105.19 109.15 1hce n GLY 80 Ca 0.18 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1hce n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hce n GLY 81 N 0.00 0.96 0.00 -0.02 0.00 -1.26 -5.08 105.19 99.78 1hce n GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1hce n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hce n LYS 82 N -0.55 3.63 -3.96 1.61 5.02 0.56 -4.78 118.16 119.69 1hce n LYS 82 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1hce n LYS 82 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 1hce n LYS 82 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hce s VAL 83 N 1.88 0.14 -0.13 -0.18 1.01 0.43 -0.69 120.40 122.86 1hce s VAL 83 Ca 0.00 -1.45 -0.08 0.00 0.00 0.00 0.00 61.98 60.45 1hce s VAL 83 Cb 0.00 -1.56 0.05 0.00 0.00 0.00 0.00 36.38 34.87 1hce s VAL 83 CO 0.00 -0.64 0.31 -0.44 0.00 0.00 0.00 175.10 174.33 1hce s SER 84 N -2.92 -0.36 -0.11 3.32 0.01 0.72 -0.93 113.70 113.43 1hce s SER 84 Ca 0.10 0.67 0.01 0.00 1.31 0.00 0.00 55.95 58.03 1hce s SER 84 Cb 0.06 0.58 -0.02 0.00 0.21 0.00 0.00 66.02 66.85 1hce s SER 84 CO -0.07 -0.16 -0.12 -0.63 0.41 0.00 0.00 173.24 172.67 1hce s ILE 85 N 1.05 3.21 0.01 1.44 1.01 -1.26 0.13 121.20 126.78 1hce s ILE 85 Ca -0.07 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 59.96 1hce s ILE 85 Cb -0.08 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 1hce s ILE 85 CO -0.08 0.55 -0.02 -0.75 0.00 0.00 0.00 174.94 174.64 1hce s LYS 86 N -0.04 0.18 0.00 2.79 2.36 0.15 -0.71 119.74 124.47 1hce s LYS 86 Ca -0.02 -0.19 0.00 0.00 -2.55 0.00 0.00 55.97 53.21 1hce s LYS 86 Cb -0.14 -0.09 0.00 0.00 -1.05 0.00 0.00 37.83 36.55 1hce s LYS 86 CO 0.04 0.02 0.00 0.41 1.55 0.00 0.00 175.35 177.37 1hce n GLY 87 N 2.70 5.45 3.34 5.54 0.00 -0.68 -1.35 105.19 120.19 1hce n GLY 87 Ca -0.15 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 1hce n GLY 87 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1hce n HIS 88 N 0.00 -1.71 -1.37 1.61 -0.00 -1.26 -3.80 115.22 108.68 1hce n HIS 88 Ca 0.00 -0.12 -0.13 0.00 0.46 0.00 0.00 57.72 57.93 1hce n HIS 88 Cb 0.00 -1.58 -0.06 0.00 -0.12 0.00 0.00 29.99 28.23 1hce n HIS 88 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1hce n HIS 89 N -4.87 -0.37 -1.46 1.57 8.25 -1.26 -1.30 115.22 115.77 1hce n HIS 89 Ca 0.03 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.35 1hce n HIS 89 Cb 0.57 -2.54 -0.05 0.00 1.12 0.00 0.00 29.99 29.08 1hce n HIS 89 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1hce n HIS 90 N -1.86 -0.05 -3.60 4.41 -0.00 -1.25 -4.99 115.22 107.87 1hce n HIS 90 Ca -0.13 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.32 1hce n HIS 90 Cb 0.43 -2.47 -0.03 0.00 -0.00 0.00 0.00 29.99 27.92 1hce n HIS 90 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1hce s HIS 91 N -2.52 3.48 0.49 1.57 0.00 -0.42 -4.70 115.29 113.19 1hce s HIS 91 Ca 0.00 0.38 0.07 0.00 -3.00 0.00 0.00 55.06 52.51 1hce s HIS 91 Cb 0.00 -1.89 0.01 0.00 -4.00 0.00 0.00 32.58 26.70 1hce s HIS 91 CO 0.00 0.31 0.41 0.71 -1.00 0.00 0.00 174.74 175.17 1hce s TYR 92 N -1.96 2.11 0.34 0.38 1.51 0.16 -1.68 117.35 118.21 1hce s TYR 92 Ca 0.39 -0.68 -0.08 0.00 -1.01 0.00 0.00 57.07 55.70 1hce s TYR 92 Cb -0.11 -2.04 -0.06 0.00 -0.11 0.00 0.00 41.96 39.64 1hce s TYR 92 CO 0.30 -0.34 0.65 0.42 -1.11 0.00 0.00 175.55 175.47 1hce s ILE 93 N -2.63 4.92 0.09 2.71 -1.09 0.12 -1.61 121.20 123.70 1hce s ILE 93 Ca 0.42 0.32 0.04 0.00 -2.23 0.00 0.00 60.65 59.20 1hce s ILE 93 Cb -0.02 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.10 1hce s ILE 93 CO 0.25 -0.39 -0.11 -0.55 -1.23 0.00 0.00 174.94 172.91 1hce s SER 94 N -3.12 1.54 -0.23 3.58 0.15 0.35 -4.45 113.70 111.52 1hce s SER 94 Ca 0.47 -0.77 -0.03 0.00 0.70 0.00 0.00 55.95 56.32 1hce s SER 94 Cb -0.11 -0.01 0.11 0.00 -1.71 0.00 0.00 66.02 64.30 1hce s SER 94 CO 0.30 -0.21 0.27 0.00 1.20 0.00 0.00 173.24 174.79 1hce s ALA 95 N -2.17 -0.48 -0.11 5.45 0.00 -1.24 -1.26 121.76 121.95 1hce s ALA 95 Ca 0.04 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.30 1hce s ALA 95 Cb -0.05 -1.48 0.02 0.00 0.00 0.00 0.00 23.12 21.61 1hce s ALA 95 CO 0.01 -1.31 -0.12 0.34 0.00 0.00 0.00 175.76 174.67 1hce s ASP 96 N 2.38 2.35 0.05 0.00 2.15 0.21 -4.87 116.67 118.93 1hce s ASP 96 Ca 0.09 -0.39 -0.04 0.00 0.43 0.00 0.00 52.55 52.63 1hce s ASP 96 Cb -0.15 -1.01 0.04 0.00 -0.30 0.00 0.00 42.92 41.49 1hce s ASP 96 CO -0.17 -0.04 0.34 1.57 -0.17 0.00 0.00 175.17 176.70 1hce n HIS 97 N 4.50 -0.02 0.03 -5.34 -0.00 -1.26 0.45 115.22 113.58 1hce n HIS 97 Ca -0.17 0.27 -0.14 0.00 -0.00 0.00 0.00 57.72 57.68 1hce n HIS 97 Cb 0.51 -0.57 -0.02 0.00 -0.00 0.00 0.00 29.99 29.91 1hce n HIS 97 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1hce h HIS 98 N 0.00 0.77 0.00 1.57 6.17 -2.05 -3.35 115.15 118.25 1hce h HIS 98 Ca 0.07 -0.36 -0.01 0.00 0.71 0.00 0.00 60.37 60.78 1hce h HIS 98 Cb 0.12 -0.11 -0.03 0.00 2.52 0.00 0.00 27.41 29.91 1hce h HIS 98 CO -0.20 1.15 -0.41 0.41 0.71 0.00 0.00 177.93 179.59 1hce n GLY 99 N 0.70 4.69 7.00 5.26 0.00 0.17 -5.09 105.19 117.92 1hce n GLY 99 Ca -0.06 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1hce n GLY 99 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1hce n HIS 100 N -1.06 0.00 -3.82 1.61 1.44 0.79 -4.57 115.22 109.61 1hce n HIS 100 Ca 0.17 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.52 1hce n HIS 100 Cb 0.71 0.03 -0.07 0.00 0.12 0.00 0.00 29.99 30.78 1hce n HIS 100 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1hce s VAL 101 N 0.00 5.47 0.00 0.61 1.01 -1.26 0.66 120.40 126.89 1hce s VAL 101 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1hce s VAL 101 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1hce s VAL 101 CO 0.00 0.55 0.00 -1.20 0.00 0.00 0.00 175.10 174.45 1hce n SER 102 N 2.58 0.00 -4.00 3.32 7.64 -0.39 -4.83 113.62 117.95 1hce n SER 102 Ca -0.18 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.61 1hce n SER 102 Cb 0.54 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.64 1hce n SER 102 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1hce s THR 103 N -1.75 0.15 0.05 0.44 -4.23 -1.26 0.13 115.64 109.16 1hce s THR 103 Ca 0.00 -1.23 0.03 0.00 -1.18 0.00 0.00 61.69 59.31 1hce s THR 103 Cb 0.00 -0.83 -0.02 0.00 1.34 0.00 0.00 72.50 72.99 1hce s THR 103 CO 0.00 -0.68 -0.09 -0.54 -0.54 0.00 0.00 174.62 172.77 1hce s LYS 104 N -2.54 0.60 0.17 3.99 1.02 -0.64 -4.82 119.74 117.52 1hce s LYS 104 Ca -0.06 -0.79 -0.01 0.00 0.02 0.00 0.00 55.97 55.13 1hce s LYS 104 Cb -0.02 -0.44 0.02 0.00 -0.52 0.00 0.00 37.83 36.88 1hce s LYS 104 CO -0.05 0.09 1.40 1.49 -0.92 0.00 0.00 175.35 177.36 1hce h GLU 105 N 4.49 0.38 -7.32 1.68 4.57 -1.86 0.48 114.58 117.00 1hce h GLU 105 Ca -0.37 -0.34 -0.45 0.00 -1.18 0.00 0.00 59.36 57.03 1hce h GLU 105 Cb 1.20 0.08 0.17 0.00 -0.16 0.00 0.00 28.75 30.04 1hce h GLU 105 CO 0.41 0.99 0.15 -1.01 -1.18 0.00 0.00 179.01 178.37 1hce s HIS 106 N -3.49 1.93 -0.28 0.92 3.76 -1.26 -4.75 115.29 112.11 1hce s HIS 106 Ca -0.05 0.99 -0.00 0.00 -0.15 0.00 0.00 55.06 55.85 1hce s HIS 106 Cb 0.10 -3.24 0.17 0.00 1.11 0.00 0.00 32.58 30.72 1hce s HIS 106 CO 0.84 -3.16 0.52 -1.58 -0.85 0.00 0.00 174.74 170.51 1hce s HIS 107 N -2.87 -1.36 0.00 1.40 5.04 -1.26 -4.65 115.29 111.59 1hce s HIS 107 Ca 0.66 1.27 0.00 0.00 -1.54 0.00 0.00 55.06 55.45 1hce s HIS 107 Cb -0.20 0.32 0.00 0.00 0.04 0.00 0.00 32.58 32.74 1hce s HIS 107 CO 0.59 -0.86 0.00 -0.40 -2.34 0.00 0.00 174.74 171.73 1hce n ASP 108 N 5.40 0.00 0.01 9.88 5.75 -1.26 -5.04 116.55 131.29 1hce n ASP 108 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 1hce n ASP 108 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1hce n ASP 108 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1hce n HIS 109 N -0.70 -0.10 -0.31 2.11 8.25 -1.26 -4.54 115.22 118.68 1hce n HIS 109 Ca 0.00 0.02 0.35 0.00 -0.26 0.00 0.00 57.72 57.82 1hce n HIS 109 Cb 0.00 0.15 0.65 0.00 1.12 0.00 0.00 29.99 31.91 1hce n HIS 109 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1hce h ASP 110 N 0.00 0.00 -0.17 0.41 5.19 -1.97 1.15 116.42 121.03 1hce h ASP 110 Ca 0.00 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.29 1hce h ASP 110 Cb 0.62 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.04 1hce h ASP 110 CO 0.00 0.00 -0.55 0.35 -3.12 0.00 0.00 179.24 175.92 1hce n THR 111 N -3.68 2.29 -3.70 0.35 -2.24 -1.26 -3.60 114.28 102.44 1hce n THR 111 Ca 0.26 -3.44 -0.17 0.00 -2.27 0.00 0.00 64.05 58.44 1hce n THR 111 Cb 1.44 -0.44 -0.16 0.00 -2.10 0.00 0.00 70.33 69.08 1hce n THR 111 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1hce s THR 112 N -3.53 -0.14 0.51 4.28 2.01 0.40 -4.54 115.64 114.62 1hce s THR 112 Ca 0.41 0.31 0.02 0.00 0.31 0.00 0.00 61.69 62.74 1hce s THR 112 Cb 0.38 -0.21 -0.01 0.00 0.01 0.00 0.00 72.50 72.67 1hce s THR 112 CO -0.04 0.13 0.03 -0.36 -0.69 0.00 0.00 174.62 173.69 1hce s PHE 113 N 1.80 1.88 0.56 4.92 0.40 -0.11 -4.71 117.98 122.72 1hce s PHE 113 Ca -0.01 -0.93 0.04 0.00 -0.60 0.00 0.00 56.93 55.42 1hce s PHE 113 Cb -0.12 -1.64 0.06 0.00 0.51 0.00 0.00 43.02 41.82 1hce s PHE 113 CO -0.05 0.19 0.77 -1.21 0.70 0.00 0.00 175.22 175.62 1hce s GLU 114 N -3.90 2.40 -0.20 0.44 0.41 0.18 0.16 118.70 118.19 1hce s GLU 114 Ca 0.09 -1.10 -0.03 0.00 -0.41 0.00 0.00 54.97 53.51 1hce s GLU 114 Cb 0.02 -2.55 -0.01 0.00 -1.78 0.00 0.00 34.13 29.81 1hce s GLU 114 CO 0.05 -0.78 -0.05 -2.00 -0.49 0.00 0.00 175.26 171.99 1hce s GLU 115 N -4.72 3.41 -0.08 1.61 2.12 -1.26 -1.83 118.70 117.94 1hce s GLU 115 Ca 0.59 -0.62 0.02 0.00 0.36 0.00 0.00 54.97 55.32 1hce s GLU 115 Cb -0.08 -2.95 -0.02 0.00 0.26 0.00 0.00 34.13 31.33 1hce s GLU 115 CO 0.38 -0.10 -0.14 0.42 -0.54 0.00 0.00 175.26 175.29 1hce s ILE 116 N 1.21 3.07 0.00 -3.70 -1.09 -0.27 -4.93 121.20 115.50 1hce s ILE 116 Ca 0.03 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 57.75 1hce s ILE 116 Cb -0.14 -2.24 0.00 0.00 -1.58 0.00 0.00 42.46 38.50 1hce s ILE 116 CO -0.01 0.56 0.00 -0.38 -1.23 0.00 0.00 174.94 173.88 1hce n ILE 117 N 2.81 0.00 0.25 2.92 5.41 -1.26 -2.34 119.36 127.15 1hce n ILE 117 Ca -0.18 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.60 1hce n ILE 117 Cb 0.52 -0.07 0.03 0.00 -0.71 0.00 0.00 39.64 39.41 1hce n ILE 117 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85