#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f5j s LEU 2 N 0.00 4.45 0.00 0.00 1.43 0.92 -4.89 118.68 120.59 1f5j s LEU 2 Ca 0.00 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.25 1f5j s LEU 2 Cb 0.00 -2.86 0.00 0.00 0.03 0.00 0.00 46.19 43.36 1f5j s LEU 2 CO 0.00 0.18 0.01 0.35 0.23 0.00 0.00 176.35 177.12 1f5j n THR 3 N 2.35 0.00 -4.39 5.49 -2.24 -1.26 -0.45 114.28 113.77 1f5j n THR 3 Ca -0.09 -0.16 -0.20 0.00 -2.27 0.00 0.00 64.05 61.34 1f5j n THR 3 Cb 0.51 1.04 -0.10 0.00 -2.10 0.00 0.00 70.33 69.68 1f5j n THR 3 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1f5j s SER 4 N -0.30 2.28 0.05 3.42 0.01 -1.26 -4.44 113.70 113.47 1f5j s SER 4 Ca 0.00 -1.24 -0.37 0.00 1.31 0.00 0.00 55.95 55.65 1f5j s SER 4 Cb 0.00 -0.08 -0.16 0.00 0.21 0.00 0.00 66.02 65.99 1f5j s SER 4 CO 0.00 -0.47 1.42 0.59 0.41 0.00 0.00 173.24 175.19 1f5j n ASN 5 N -0.54 1.92 -3.50 2.44 3.02 -1.26 -4.83 115.26 112.51 1f5j n ASN 5 Ca -0.05 1.11 -0.13 0.00 -0.03 0.00 0.00 54.58 55.48 1f5j n ASN 5 Cb 0.64 -1.21 -0.04 0.00 -0.61 0.00 0.00 39.78 38.56 1f5j n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f5j s ALA 6 N 0.94 -1.76 0.16 5.41 0.00 -0.73 -4.99 121.76 120.79 1f5j s ALA 6 Ca 0.86 1.07 -0.13 0.00 0.00 0.00 0.00 51.96 53.76 1f5j s ALA 6 Cb -0.93 0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.41 1f5j s ALA 6 CO 0.48 -0.53 0.37 -1.54 0.00 0.00 0.00 175.76 174.54 1f5j s SER 7 N -1.87 -0.09 0.00 0.00 1.04 -1.26 -0.74 113.70 110.78 1f5j s SER 7 Ca -0.03 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.77 1f5j s SER 7 Cb -0.01 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1f5j s SER 7 CO -0.02 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1f5j n GLY 8 N -0.24 -0.54 2.97 7.32 0.00 -0.66 -4.99 105.19 109.05 1f5j n GLY 8 Ca -0.10 -0.83 -0.16 0.00 0.00 0.00 0.00 46.02 44.93 1f5j n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f5j s THR 9 N -3.11 0.45 -0.12 2.61 2.01 -1.26 -0.90 115.64 115.33 1f5j s THR 9 Ca 0.00 -0.25 -0.05 0.00 0.31 0.00 0.00 61.69 61.70 1f5j s THR 9 Cb 0.00 -0.38 0.05 0.00 0.01 0.00 0.00 72.50 72.18 1f5j s THR 9 CO 0.00 0.12 0.26 0.12 -0.69 0.00 0.00 174.62 174.43 1f5j s PHE 10 N -0.15 -0.38 -1.53 4.92 5.36 -0.03 -4.87 117.98 121.31 1f5j s PHE 10 Ca 0.02 0.88 -0.01 0.00 -0.96 0.00 0.00 56.93 56.86 1f5j s PHE 10 Cb -0.02 0.03 0.01 0.00 -0.34 0.00 0.00 43.02 42.70 1f5j s PHE 10 CO -0.00 -0.28 0.15 -3.47 -1.46 0.00 0.00 175.22 170.15 1f5j n ASP 11 N 4.62 -5.33 0.00 6.13 2.03 -1.26 -1.64 116.55 121.10 1f5j n ASP 11 Ca -0.19 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.08 1f5j n ASP 11 Cb 0.52 -4.42 0.00 0.00 -0.72 0.00 0.00 41.12 36.50 1f5j n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1f5j n GLY 12 N -1.07 0.90 3.59 0.27 0.00 -1.26 -4.57 105.19 103.05 1f5j n GLY 12 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 1f5j n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1f5j s TYR 13 N -3.09 2.94 0.28 1.61 1.51 -0.65 -4.93 117.35 115.02 1f5j s TYR 13 Ca 0.00 0.02 -0.27 0.00 -1.01 0.00 0.00 57.07 55.81 1f5j s TYR 13 Cb 0.00 -1.69 -0.09 0.00 -0.11 0.00 0.00 41.96 40.07 1f5j s TYR 13 CO 0.00 0.35 0.93 -0.47 -1.11 0.00 0.00 175.55 175.26 1f5j s TYR 14 N -0.87 3.82 0.04 2.71 5.04 0.03 -0.85 117.35 127.27 1f5j s TYR 14 Ca 0.14 1.82 0.01 0.00 -2.44 0.00 0.00 57.07 56.60 1f5j s TYR 14 Cb -0.11 -2.93 -0.03 0.00 0.35 0.00 0.00 41.96 39.24 1f5j s TYR 14 CO 0.03 0.32 -0.05 1.52 -1.34 0.00 0.00 175.55 176.03 1f5j s TYR 15 N -1.43 0.50 -0.27 4.97 -0.85 -0.07 -0.70 117.35 119.50 1f5j s TYR 15 Ca 0.46 -0.63 -0.25 0.00 -0.52 0.00 0.00 57.07 56.14 1f5j s TYR 15 Cb -0.22 -0.32 0.07 0.00 0.38 0.00 0.00 41.96 41.87 1f5j s TYR 15 CO 0.27 -0.17 0.71 -2.00 -1.52 0.00 0.00 175.55 172.84 1f5j s GLU 16 N -2.05 0.83 -0.14 -3.49 2.12 -0.29 -1.66 118.70 114.01 1f5j s GLU 16 Ca -0.08 0.99 0.01 0.00 0.36 0.00 0.00 54.97 56.25 1f5j s GLU 16 Cb -0.06 0.40 0.00 0.00 0.26 0.00 0.00 34.13 34.73 1f5j s GLU 16 CO -0.02 -0.10 -0.18 -1.17 -0.54 0.00 0.00 175.26 173.25 1f5j s LEU 17 N 0.39 2.33 -0.01 2.70 0.20 0.08 -1.70 118.68 122.68 1f5j s LEU 17 Ca -0.00 -0.51 0.01 0.00 0.69 0.00 0.00 54.13 54.32 1f5j s LEU 17 Cb -0.05 -1.51 0.01 0.00 -0.43 0.00 0.00 46.19 44.20 1f5j s LEU 17 CO 0.01 0.09 -0.03 0.86 -0.29 0.00 0.00 176.35 176.99 1f5j s TRP 18 N 0.74 0.40 0.03 5.38 -0.00 -0.15 -1.77 118.94 123.58 1f5j s TRP 18 Ca -0.07 -0.07 -0.27 0.00 -0.00 0.00 0.00 56.10 55.69 1f5j s TRP 18 Cb -0.16 -0.31 0.07 0.00 -0.00 0.00 0.00 33.47 33.07 1f5j s TRP 18 CO 0.00 -0.05 0.63 -1.59 -0.00 0.00 0.00 176.95 175.95 1f5j s LYS 19 N 0.21 1.12 -0.20 5.86 -2.85 -1.26 0.32 119.74 122.94 1f5j s LYS 19 Ca -0.02 -0.05 -0.16 0.00 -1.00 0.00 0.00 55.97 54.74 1f5j s LYS 19 Cb -0.05 0.52 -0.20 0.00 -2.06 0.00 0.00 37.83 36.04 1f5j s LYS 19 CO -0.00 -0.41 0.17 -0.40 0.10 0.00 0.00 175.35 174.81 1f5j n ASP 20 N 0.43 1.94 -3.69 0.03 5.68 -0.89 -4.88 116.55 115.17 1f5j n ASP 20 Ca -0.18 0.34 -0.15 0.00 -0.50 0.00 0.00 54.79 54.30 1f5j n ASP 20 Cb 0.60 -0.91 -0.08 0.00 -1.14 0.00 0.00 41.12 39.60 1f5j n ASP 20 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1f5j s THR 21 N -2.43 0.04 0.00 2.12 2.01 -1.26 -5.06 115.64 111.06 1f5j s THR 21 Ca -0.29 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.39 1f5j s THR 21 Cb 0.07 -0.73 0.00 0.00 0.01 0.00 0.00 72.50 71.86 1f5j s THR 21 CO 0.63 -0.18 0.00 0.61 -0.69 0.00 0.00 174.62 174.99 1f5j n GLY 22 N 1.22 1.16 3.58 4.40 0.00 -1.25 -2.23 105.19 112.05 1f5j n GLY 22 Ca -0.21 -2.19 -0.39 0.00 0.00 0.00 0.00 46.02 43.23 1f5j n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f5j s ASN 23 N 0.00 6.11 0.01 1.61 0.01 -0.49 -4.94 114.94 117.26 1f5j s ASN 23 Ca 0.00 -0.02 0.01 0.00 -0.71 0.00 0.00 52.86 52.14 1f5j s ASN 23 Cb 0.00 -2.16 -0.01 0.00 0.41 0.00 0.00 41.25 39.49 1f5j s ASN 23 CO 0.00 -0.16 -0.04 0.42 -1.51 0.00 0.00 177.10 175.81 1f5j s THR 24 N 1.88 0.29 -0.04 1.60 -4.23 -1.26 -1.34 115.64 112.54 1f5j s THR 24 Ca 0.10 -0.54 -0.03 0.00 -1.18 0.00 0.00 61.69 60.04 1f5j s THR 24 Cb -0.16 -0.32 0.01 0.00 1.34 0.00 0.00 72.50 73.37 1f5j s THR 24 CO 0.11 -0.17 0.10 0.28 -0.54 0.00 0.00 174.62 174.40 1f5j s THR 25 N -0.70 -0.00 -0.05 3.99 -1.32 -0.75 -4.19 115.64 112.61 1f5j s THR 25 Ca -0.05 0.02 -0.04 0.00 -1.21 0.00 0.00 61.69 60.40 1f5j s THR 25 Cb -0.05 -0.15 0.02 0.00 -1.51 0.00 0.00 72.50 70.81 1f5j s THR 25 CO -0.00 0.01 0.13 -0.32 -2.21 0.00 0.00 174.62 172.23 1f5j s MET 26 N 0.15 0.14 -0.10 7.08 1.75 0.40 -1.85 119.30 126.87 1f5j s MET 26 Ca -0.01 0.22 0.01 0.00 -1.25 0.00 0.00 55.69 54.66 1f5j s MET 26 Cb -0.02 0.02 0.02 0.00 2.84 0.00 0.00 34.83 37.70 1f5j s MET 26 CO -0.00 -0.05 -0.12 0.99 -0.65 0.00 0.00 175.02 175.19 1f5j s THR 27 N 0.28 1.25 -0.15 10.11 2.01 -0.34 -0.05 115.64 128.75 1f5j s THR 27 Ca -0.02 -0.49 -0.11 0.00 0.31 0.00 0.00 61.69 61.38 1f5j s THR 27 Cb -0.03 -1.17 -0.05 0.00 0.01 0.00 0.00 72.50 71.26 1f5j s THR 27 CO -0.01 0.39 0.22 -0.69 -0.69 0.00 0.00 174.62 173.84 1f5j s VAL 28 N 1.12 5.36 0.39 3.82 1.01 -1.26 -0.89 120.40 129.94 1f5j s VAL 28 Ca -0.05 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.33 1f5j s VAL 28 Cb -0.14 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1f5j s VAL 28 CO -0.02 0.47 0.11 -1.22 0.00 0.00 0.00 175.10 174.44 1f5j n TYR 29 N 3.07 0.25 -1.41 5.22 4.01 0.83 -4.97 117.16 124.16 1f5j n TYR 29 Ca -0.15 -1.82 -0.30 0.00 -0.16 0.00 0.00 57.90 55.47 1f5j n TYR 29 Cb 0.53 -0.28 0.10 0.00 -0.31 0.00 0.00 39.34 39.37 1f5j n TYR 29 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1f5j s THR 30 N -2.24 3.17 -1.64 -0.72 -4.23 -1.26 -3.83 115.64 104.89 1f5j s THR 30 Ca 0.09 0.38 -0.03 0.00 -1.18 0.00 0.00 61.69 60.95 1f5j s THR 30 Cb -0.01 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.83 1f5j s THR 30 CO 0.05 -0.50 0.40 0.00 -0.54 0.00 0.00 174.62 174.04 1f5j n GLN 31 N -3.52 -3.80 -0.94 3.99 6.02 -1.26 -2.29 117.38 115.58 1f5j n GLN 31 Ca 0.07 0.95 0.00 0.00 -0.01 0.00 0.00 57.00 58.01 1f5j n GLN 31 Cb 0.55 -5.75 0.00 0.00 1.02 0.00 0.00 30.24 26.06 1f5j n GLN 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1f5j n GLY 32 N -1.35 0.40 3.81 1.08 0.00 -1.26 -4.09 105.19 103.79 1f5j n GLY 32 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 1f5j n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1f5j s ARG 33 N -0.66 4.02 -0.04 1.61 0.52 -0.97 -4.74 118.95 118.70 1f5j s ARG 33 Ca 0.00 1.19 -0.29 0.00 -0.52 0.00 0.00 55.73 56.12 1f5j s ARG 33 Cb 0.00 -2.14 0.10 0.00 0.52 0.00 0.00 34.95 33.43 1f5j s ARG 33 CO 0.00 -0.22 0.83 -0.59 0.02 0.00 0.00 175.30 175.34 1f5j s PHE 34 N -2.16 -0.45 0.18 -0.53 -0.12 -0.95 -0.12 117.98 113.83 1f5j s PHE 34 Ca 0.64 0.57 0.11 0.00 -0.05 0.00 0.00 56.93 58.20 1f5j s PHE 34 Cb -0.12 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 1f5j s PHE 34 CO 0.18 -0.54 -0.23 0.45 -0.05 0.00 0.00 175.22 175.02 1f5j s SER 35 N -1.79 3.48 0.06 1.98 0.15 -0.07 -0.24 113.70 117.26 1f5j s SER 35 Ca -0.01 -0.81 -0.22 0.00 0.70 0.00 0.00 55.95 55.60 1f5j s SER 35 Cb -0.01 -0.29 0.05 0.00 -1.71 0.00 0.00 66.02 64.07 1f5j s SER 35 CO -0.02 0.13 0.52 0.00 1.20 0.00 0.00 173.24 175.07 1f5j s GLN 37 N -2.61 0.60 0.05 0.00 -0.21 -0.77 -1.19 119.66 115.53 1f5j s GLN 37 Ca -0.04 0.12 -0.09 0.00 0.02 0.00 0.00 55.36 55.37 1f5j s GLN 37 Cb -0.00 0.28 0.00 0.00 1.00 0.00 0.00 33.01 34.28 1f5j s GLN 37 CO -0.03 -0.14 0.18 1.67 -2.12 0.00 0.00 175.29 174.85 1f5j s TRP 38 N -0.71 0.09 -0.03 0.91 -2.14 -0.47 -1.82 118.94 114.77 1f5j s TRP 38 Ca -0.08 -0.35 -0.29 0.00 2.66 0.00 0.00 56.10 58.04 1f5j s TRP 38 Cb -0.04 -0.05 0.09 0.00 -3.10 0.00 0.00 33.47 30.37 1f5j s TRP 38 CO 0.03 -0.44 0.77 -1.54 -2.66 0.00 0.00 176.95 173.12 1f5j s SER 39 N -2.19 -0.53 -1.55 -2.66 1.04 -0.45 -1.45 113.70 105.91 1f5j s SER 39 Ca -0.04 0.39 -0.15 0.00 0.48 0.00 0.00 55.95 56.64 1f5j s SER 39 Cb -0.00 0.47 0.11 0.00 0.10 0.00 0.00 66.02 66.69 1f5j s SER 39 CO -0.05 -0.62 0.82 0.59 0.98 0.00 0.00 173.24 174.97 1f5j n ASN 40 N 0.43 -4.18 -4.98 7.02 4.13 -1.25 -1.40 115.26 115.03 1f5j n ASN 40 Ca -0.15 -0.77 -0.18 0.00 1.68 0.00 0.00 54.58 55.16 1f5j n ASN 40 Cb 0.60 -3.38 0.01 0.00 -1.54 0.00 0.00 39.78 35.46 1f5j n ASN 40 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1f5j s ILE 41 N -3.22 2.79 -0.03 2.41 -4.36 -1.26 -3.92 121.20 113.61 1f5j s ILE 41 Ca 0.64 -1.10 -0.04 0.00 -0.26 0.00 0.00 60.65 59.89 1f5j s ILE 41 Cb -0.33 -2.88 -0.01 0.00 1.25 0.00 0.00 42.46 40.48 1f5j s ILE 41 CO 0.79 0.00 -0.08 -3.20 0.24 0.00 0.00 174.94 172.69 1f5j n ASN 42 N -1.82 0.57 -3.80 4.36 5.15 -0.95 -3.38 115.26 115.40 1f5j n ASN 42 Ca 0.07 0.09 -0.16 0.00 -0.60 0.00 0.00 54.58 53.99 1f5j n ASN 42 Cb 0.60 -0.44 -0.16 0.00 -0.53 0.00 0.00 39.78 39.25 1f5j n ASN 42 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1f5j s ASN 43 N -4.86 0.24 -0.04 1.20 3.04 -1.26 -0.04 114.94 113.22 1f5j s ASN 43 Ca -0.07 0.01 -0.05 0.00 0.04 0.00 0.00 52.86 52.79 1f5j s ASN 43 Cb 0.01 -0.14 0.01 0.00 -1.54 0.00 0.00 41.25 39.59 1f5j s ASN 43 CO 0.10 -0.11 0.13 0.00 -3.04 0.00 0.00 177.10 174.18 1f5j s ALA 44 N 1.01 -0.31 -0.02 1.71 0.00 -0.89 -2.10 121.76 121.16 1f5j s ALA 44 Ca -0.09 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.17 1f5j s ALA 44 Cb -0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 1f5j s ALA 44 CO -0.02 -0.08 -0.10 -0.51 0.00 0.00 0.00 175.76 175.04 1f5j s LEU 45 N -0.17 1.89 -0.09 0.00 1.02 0.15 -0.91 118.68 120.57 1f5j s LEU 45 Ca -0.02 -0.20 0.02 0.00 0.02 0.00 0.00 54.13 53.94 1f5j s LEU 45 Cb -0.02 -0.59 0.01 0.00 0.02 0.00 0.00 46.19 45.62 1f5j s LEU 45 CO 0.00 0.10 -0.14 -0.36 0.02 0.00 0.00 176.35 175.97 1f5j s PHE 46 N -0.00 1.77 0.08 0.29 0.08 -0.19 -0.98 117.98 119.03 1f5j s PHE 46 Ca -0.00 -0.77 -0.22 0.00 0.12 0.00 0.00 56.93 56.06 1f5j s PHE 46 Cb -0.07 -1.29 0.06 0.00 -0.57 0.00 0.00 43.02 41.15 1f5j s PHE 46 CO 0.00 -0.40 0.54 -0.98 -0.10 0.00 0.00 175.22 174.28 1f5j s ARG 47 N 0.90 1.11 0.00 0.44 1.70 -0.69 -0.73 118.95 121.69 1f5j s ARG 47 Ca -0.09 -0.32 -0.01 0.00 -0.47 0.00 0.00 55.73 54.84 1f5j s ARG 47 Cb -0.15 0.51 -0.01 0.00 -0.57 0.00 0.00 34.95 34.73 1f5j s ARG 47 CO 0.00 -0.42 0.01 0.95 -1.08 0.00 0.00 175.30 174.76 1f5j s THR 48 N -2.86 0.06 0.00 4.99 -4.23 -1.00 -1.14 115.64 111.46 1f5j s THR 48 Ca -0.03 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 1f5j s THR 48 Cb -0.00 -0.19 0.00 0.00 1.34 0.00 0.00 72.50 73.65 1f5j s THR 48 CO -0.05 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 1f5j n GLY 49 N 2.24 1.10 3.15 3.99 0.00 0.12 -1.06 105.19 114.72 1f5j n GLY 49 Ca -0.19 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 1f5j n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f5j s LYS 50 N 3.72 0.77 0.17 1.61 -0.14 -0.56 -0.79 119.74 124.53 1f5j s LYS 50 Ca 0.00 -0.90 0.00 0.00 -1.36 0.00 0.00 55.97 53.71 1f5j s LYS 50 Cb 0.00 -0.73 -0.04 0.00 -1.68 0.00 0.00 37.83 35.38 1f5j s LYS 50 CO 0.00 0.16 0.34 0.15 -0.76 0.00 0.00 175.35 175.24 1f5j s LYS 51 N -1.66 3.49 0.10 1.68 1.02 -1.26 -1.54 119.74 121.57 1f5j s LYS 51 Ca -0.03 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 55.53 1f5j s LYS 51 Cb -0.10 -2.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 1f5j s LYS 51 CO 0.02 0.46 0.00 0.66 -0.92 0.00 0.00 175.35 175.57 1f5j n TYR 52 N -0.51 -0.65 -3.53 3.18 4.02 -0.36 -4.94 117.16 114.37 1f5j n TYR 52 Ca -0.05 0.11 -0.21 0.00 -0.01 0.00 0.00 57.90 57.74 1f5j n TYR 52 Cb 0.53 0.28 0.05 0.00 -0.02 0.00 0.00 39.34 40.19 1f5j n TYR 52 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1f5j n ASN 53 N -3.11 -3.38 -3.74 7.72 5.15 0.14 -5.01 115.26 113.04 1f5j n ASN 53 Ca 0.00 -0.79 -0.14 0.00 -0.60 0.00 0.00 54.58 53.06 1f5j n ASN 53 Cb 0.13 -4.44 -0.09 0.00 -0.53 0.00 0.00 39.78 34.85 1f5j n ASN 53 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1f5j s GLN 54 N -5.46 0.61 0.32 1.20 0.74 -1.13 -4.93 119.66 111.00 1f5j s GLN 54 Ca 0.19 0.12 -0.29 0.00 0.05 0.00 0.00 55.36 55.43 1f5j s GLN 54 Cb -0.04 0.28 -0.11 0.00 1.10 0.00 0.00 33.01 34.23 1f5j s GLN 54 CO 0.79 -0.14 1.56 -1.71 -0.55 0.00 0.00 175.29 175.23 1f5j n ASN 55 N 1.88 3.82 0.26 6.67 2.85 -1.26 -0.85 115.26 128.64 1f5j n ASN 55 Ca -0.18 1.17 0.10 0.00 -0.11 0.00 0.00 54.58 55.56 1f5j n ASN 55 Cb 0.57 -1.60 0.70 0.00 1.24 0.00 0.00 39.78 40.69 1f5j n ASN 55 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 1f5j h TRP 56 N 4.16 0.00 0.00 1.20 5.08 -1.82 -2.63 115.95 121.94 1f5j h TRP 56 Ca -0.48 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.49 1f5j h TRP 56 Cb 1.23 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.39 1f5j h TRP 56 CO 0.56 0.06 0.00 0.37 -1.28 0.00 0.00 178.44 178.15 1f5j h GLN 57 N 0.00 0.00 -0.18 0.12 5.75 -1.89 -2.97 115.11 115.94 1f5j h GLN 57 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1f5j h GLN 57 Cb 0.12 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.67 1f5j h GLN 57 CO 0.01 0.00 0.00 -1.13 -2.65 0.00 0.00 178.83 175.06 1f5j n SER 58 N -2.50 2.41 0.14 -0.69 3.41 -0.99 -4.55 113.62 110.85 1f5j n SER 58 Ca 0.01 -1.72 0.13 0.00 -0.26 0.00 0.00 58.87 57.02 1f5j n SER 58 Cb 0.19 -0.11 0.48 0.00 -0.26 0.00 0.00 64.21 64.51 1f5j n SER 58 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1f5j h LEU 59 N 2.10 0.00 0.00 1.04 3.38 -1.60 -3.49 115.31 116.75 1f5j h LEU 59 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1f5j h LEU 59 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1f5j h LEU 59 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1f5j n GLY 60 N 0.41 1.12 3.34 0.83 0.00 -1.26 -4.61 105.19 105.02 1f5j n GLY 60 Ca 0.03 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 1f5j n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f5j s THR 61 N 0.00 3.45 -0.20 2.61 2.01 0.38 -4.88 115.64 119.01 1f5j s THR 61 Ca 0.00 -0.48 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 1f5j s THR 61 Cb 0.00 -2.55 0.01 0.00 0.01 0.00 0.00 72.50 69.97 1f5j s THR 61 CO 0.00 0.44 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.60 1f5j s ILE 62 N 1.24 2.54 -0.05 1.82 1.01 -1.26 -1.30 121.20 125.21 1f5j s ILE 62 Ca 0.03 -0.84 0.07 0.00 0.00 0.00 0.00 60.65 59.91 1f5j s ILE 62 Cb -0.14 -2.14 -0.01 0.00 0.01 0.00 0.00 42.46 40.17 1f5j s ILE 62 CO -0.01 0.45 -0.25 -0.13 0.00 0.00 0.00 174.94 175.00 1f5j s ARG 63 N 1.34 2.40 -0.21 2.79 0.52 0.31 -1.46 118.95 124.65 1f5j s ARG 63 Ca 0.04 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.34 1f5j s ARG 63 Cb -0.14 -2.11 0.02 0.00 0.52 0.00 0.00 34.95 33.24 1f5j s ARG 63 CO -0.09 0.43 -0.14 0.42 0.02 0.00 0.00 175.30 175.94 1f5j s ILE 64 N -0.30 2.41 -0.32 1.52 1.01 0.16 -1.02 121.20 124.66 1f5j s ILE 64 Ca 0.01 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 59.56 1f5j s ILE 64 Cb -0.13 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 1f5j s ILE 64 CO 0.02 0.39 0.20 -0.89 0.00 0.00 0.00 174.94 174.66 1f5j s THR 65 N 1.30 4.97 0.28 2.92 2.01 -0.16 -0.30 115.64 126.66 1f5j s THR 65 Ca 0.02 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 61.80 1f5j s THR 65 Cb -0.15 -3.53 -0.06 0.00 0.01 0.00 0.00 72.50 68.78 1f5j s THR 65 CO -0.09 0.05 -0.02 -0.72 -0.69 0.00 0.00 174.62 173.14 1f5j s TYR 66 N 1.67 1.87 -0.15 4.92 1.13 -0.14 -1.11 117.35 125.55 1f5j s TYR 66 Ca 0.05 -0.80 -0.11 0.00 -1.41 0.00 0.00 57.07 54.80 1f5j s TYR 66 Cb -0.17 -1.11 0.04 0.00 -1.10 0.00 0.00 41.96 39.62 1f5j s TYR 66 CO 0.09 0.15 0.38 -1.12 -2.51 0.00 0.00 175.55 172.54 1f5j s SER 67 N -3.42 -0.42 -0.07 -0.18 0.01 -0.69 -1.53 113.70 107.39 1f5j s SER 67 Ca 0.31 0.79 -0.15 0.00 1.31 0.00 0.00 55.95 58.20 1f5j s SER 67 Cb 0.05 0.75 0.03 0.00 0.21 0.00 0.00 66.02 67.06 1f5j s SER 67 CO 0.12 -0.15 0.35 0.00 0.41 0.00 0.00 173.24 173.97 1f5j s ALA 68 N 0.65 -0.89 -0.44 1.44 0.00 -0.07 -1.33 121.76 121.13 1f5j s ALA 68 Ca -0.04 0.66 -0.17 0.00 0.00 0.00 0.00 51.96 52.42 1f5j s ALA 68 Cb -0.05 -0.20 0.04 0.00 0.00 0.00 0.00 23.12 22.91 1f5j s ALA 68 CO -0.04 -0.23 0.41 0.99 0.00 0.00 0.00 175.76 176.89 1f5j s THR 69 N -0.72 5.14 -0.25 0.00 2.01 -0.03 -4.80 115.64 116.98 1f5j s THR 69 Ca -0.08 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.35 1f5j s THR 69 Cb -0.04 -4.06 0.05 0.00 0.01 0.00 0.00 72.50 68.47 1f5j s THR 69 CO 0.03 -0.46 -0.10 -0.47 -0.69 0.00 0.00 174.62 172.92 1f5j s TYR 70 N 1.97 3.18 -0.53 4.92 5.04 -1.26 0.14 117.35 130.82 1f5j s TYR 70 Ca 0.09 -2.10 0.07 0.00 -2.44 0.00 0.00 57.07 52.69 1f5j s TYR 70 Cb -0.19 -1.97 0.25 0.00 0.35 0.00 0.00 41.96 40.40 1f5j s TYR 70 CO 0.11 -0.85 0.65 0.09 -1.34 0.00 0.00 175.55 174.22 1f5j n ASN 71 N 4.51 2.21 -4.80 4.32 3.02 0.18 -5.02 115.26 119.68 1f5j n ASN 71 Ca -0.15 -3.12 -0.34 0.00 -0.03 0.00 0.00 54.58 50.94 1f5j n ASN 71 Cb 0.44 -0.66 -0.04 0.00 -0.61 0.00 0.00 39.78 38.91 1f5j n ASN 71 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1f5j s PRO 72 N -1.94 3.88 0.00 3.52 0.04 -1.26 -2.02 135.00 137.23 1f5j s PRO 72 Ca 0.38 1.29 0.10 0.00 0.04 0.00 0.00 61.00 62.81 1f5j s PRO 72 Cb 0.16 -2.11 0.22 0.00 0.04 0.00 0.00 34.50 32.81 1f5j s PRO 72 CO -0.06 -0.35 1.11 0.09 0.04 0.00 0.00 177.00 177.83 1f5j n ASN 73 N -0.96 2.55 0.00 6.66 3.02 -0.22 -4.95 115.26 121.36 1f5j n ASN 73 Ca 0.09 -1.82 0.00 0.00 -0.03 0.00 0.00 54.58 52.82 1f5j n ASN 73 Cb 0.53 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 1f5j n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f5j n GLY 74 N 0.50 1.84 3.69 7.41 0.00 -1.25 -4.78 105.19 112.61 1f5j n GLY 74 Ca 0.09 -0.50 -0.51 0.00 0.00 0.00 0.00 46.02 45.09 1f5j n GLY 74 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1f5j n ASN 75 N 0.00 3.02 -3.53 1.61 2.85 -1.26 -3.67 115.26 114.27 1f5j n ASN 75 Ca 0.00 1.02 -0.07 0.00 -0.11 0.00 0.00 54.58 55.42 1f5j n ASN 75 Cb 0.00 -1.29 -0.02 0.00 1.24 0.00 0.00 39.78 39.71 1f5j n ASN 75 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1f5j s SER 76 N 3.63 -0.30 0.06 1.20 0.15 -1.26 -1.69 113.70 115.49 1f5j s SER 76 Ca 0.94 -0.01 0.03 0.00 0.70 0.00 0.00 55.95 57.61 1f5j s SER 76 Cb -0.83 0.32 -0.03 0.00 -1.71 0.00 0.00 66.02 63.78 1f5j s SER 76 CO 0.56 -0.52 -0.10 -0.31 1.20 0.00 0.00 173.24 174.06 1f5j s TYR 77 N -2.93 0.91 -0.19 3.44 2.02 0.09 -1.01 117.35 119.68 1f5j s TYR 77 Ca 0.06 -0.50 0.01 0.00 -0.37 0.00 0.00 57.07 56.28 1f5j s TYR 77 Cb -0.01 -0.52 0.02 0.00 -0.40 0.00 0.00 41.96 41.05 1f5j s TYR 77 CO -0.08 -0.03 -0.19 -1.17 -1.57 0.00 0.00 175.55 172.52 1f5j s LEU 78 N -1.70 2.25 0.27 -1.29 2.96 -0.19 -1.07 118.68 119.91 1f5j s LEU 78 Ca -0.06 -0.72 -0.19 0.00 -0.22 0.00 0.00 54.13 52.95 1f5j s LEU 78 Cb -0.10 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.12 1f5j s LEU 78 CO 0.01 -0.02 0.66 0.00 -1.32 0.00 0.00 176.35 175.68 1f5j s ILE 80 N -3.93 5.09 -0.02 0.00 -1.09 -0.01 0.73 121.20 121.97 1f5j s ILE 80 Ca 0.14 0.88 -0.03 0.00 -2.23 0.00 0.00 60.65 59.41 1f5j s ILE 80 Cb -0.05 -3.75 0.01 0.00 -1.58 0.00 0.00 42.46 37.08 1f5j s ILE 80 CO 0.08 0.47 0.08 -0.47 -1.23 0.00 0.00 174.94 173.86 1f5j s TYR 81 N -0.33 -0.05 0.11 3.97 6.14 0.94 -1.18 117.35 126.95 1f5j s TYR 81 Ca 0.24 0.13 -0.10 0.00 0.64 0.00 0.00 57.07 57.99 1f5j s TYR 81 Cb -0.16 0.01 0.03 0.00 0.42 0.00 0.00 41.96 42.26 1f5j s TYR 81 CO 0.12 -0.08 0.47 0.41 0.64 0.00 0.00 175.55 177.11 1f5j n GLY 82 N 2.79 1.10 3.12 8.97 0.00 -0.88 0.21 105.19 120.50 1f5j n GLY 82 Ca -0.14 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 1f5j n GLY 82 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1f5j s TRP 83 N -4.53 0.84 0.12 1.61 0.52 -1.06 -1.36 118.94 115.09 1f5j s TRP 83 Ca 0.10 -0.62 0.07 0.00 0.02 0.00 0.00 56.10 55.67 1f5j s TRP 83 Cb -0.02 -0.48 -0.04 0.00 -1.15 0.00 0.00 33.47 31.78 1f5j s TRP 83 CO 0.03 -0.07 -0.16 0.45 0.02 0.00 0.00 176.95 177.22 1f5j s SER 84 N -2.08 2.19 0.11 2.95 0.15 0.10 -0.25 113.70 116.88 1f5j s SER 84 Ca -0.02 -0.79 0.07 0.00 0.70 0.00 0.00 55.95 55.91 1f5j s SER 84 Cb -0.05 -0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.13 1f5j s SER 84 CO -0.01 -0.09 -0.16 0.42 1.20 0.00 0.00 173.24 174.60 1f5j s THR 85 N -1.91 1.45 -0.90 6.45 -4.23 0.21 -1.29 115.64 115.42 1f5j s THR 85 Ca 0.09 -1.63 -0.07 0.00 -1.18 0.00 0.00 61.69 58.90 1f5j s THR 85 Cb -0.06 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.28 1f5j s THR 85 CO 0.04 -0.28 0.68 -3.20 -0.54 0.00 0.00 174.62 171.31 1f5j n ASN 86 N 0.76 -5.68 -4.88 3.99 4.05 -1.26 -1.19 115.26 111.05 1f5j n ASN 86 Ca -0.17 -0.77 -0.30 0.00 0.45 0.00 0.00 54.58 53.79 1f5j n ASN 86 Cb 0.56 -3.00 -0.01 0.00 1.23 0.00 0.00 39.78 38.56 1f5j n ASN 86 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1f5j s PRO 87 N -4.86 3.65 -0.30 1.20 0.04 -1.26 -4.09 135.00 129.37 1f5j s PRO 87 Ca 0.14 0.54 -0.29 0.00 0.04 0.00 0.00 61.00 61.43 1f5j s PRO 87 Cb -0.06 -2.24 0.01 0.00 0.04 0.00 0.00 34.50 32.25 1f5j s PRO 87 CO 0.86 -0.32 1.21 -1.17 0.04 0.00 0.00 177.00 177.61 1f5j s LEU 88 N -4.68 3.91 -0.04 -3.56 2.96 -1.26 -4.46 118.68 111.55 1f5j s LEU 88 Ca 0.52 1.15 -0.03 0.00 -0.22 0.00 0.00 54.13 55.56 1f5j s LEU 88 Cb -0.11 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.06 1f5j s LEU 88 CO 0.45 -0.99 0.10 -0.69 -1.32 0.00 0.00 176.35 173.89 1f5j s VAL 89 N 4.04 -0.02 -0.22 1.68 1.01 -0.41 -4.02 120.40 122.46 1f5j s VAL 89 Ca 0.52 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.48 1f5j s VAL 89 Cb -0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1f5j s VAL 89 CO 0.20 0.02 0.08 -0.70 0.00 0.00 0.00 175.10 174.70 1f5j s GLU 90 N 0.39 3.86 0.14 2.72 2.12 -0.99 -0.72 118.70 126.22 1f5j s GLU 90 Ca -0.03 -0.39 0.09 0.00 0.36 0.00 0.00 54.97 55.00 1f5j s GLU 90 Cb -0.04 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 1f5j s GLU 90 CO -0.02 0.06 -0.20 -0.59 -0.54 0.00 0.00 175.26 173.98 1f5j s PHE 91 N 0.96 1.84 0.04 5.30 -0.12 -0.46 -1.98 117.98 123.55 1f5j s PHE 91 Ca 0.04 -0.44 0.04 0.00 -0.05 0.00 0.00 56.93 56.52 1f5j s PHE 91 Cb -0.14 -0.96 -0.02 0.00 -0.63 0.00 0.00 43.02 41.27 1f5j s PHE 91 CO 0.03 0.28 -0.11 0.71 -0.05 0.00 0.00 175.22 176.07 1f5j s TYR 92 N -1.60 0.99 -0.37 3.49 1.51 0.19 -2.07 117.35 119.49 1f5j s TYR 92 Ca 0.12 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.80 1f5j s TYR 92 Cb -0.08 -0.58 0.12 0.00 -0.11 0.00 0.00 41.96 41.31 1f5j s TYR 92 CO 0.06 0.00 0.18 0.42 -1.11 0.00 0.00 175.55 175.10 1f5j s ILE 93 N -0.98 0.89 -0.29 2.71 1.01 -0.32 -1.75 121.20 122.47 1f5j s ILE 93 Ca -0.02 -1.90 -0.27 0.00 0.00 0.00 0.00 60.65 58.46 1f5j s ILE 93 Cb -0.08 -1.65 0.01 0.00 0.01 0.00 0.00 42.46 40.75 1f5j s ILE 93 CO 0.01 -0.83 0.97 -0.69 0.00 0.00 0.00 174.94 174.40 1f5j s VAL 94 N 1.02 4.65 -0.15 2.92 1.01 0.29 -0.83 120.40 129.31 1f5j s VAL 94 Ca 0.15 1.64 -0.06 0.00 0.00 0.00 0.00 61.98 63.70 1f5j s VAL 94 Cb -0.21 -4.30 -0.24 0.00 0.00 0.00 0.00 36.38 31.63 1f5j s VAL 94 CO -0.10 -0.32 0.25 -0.62 0.00 0.00 0.00 175.10 174.31 1f5j n GLU 95 N 6.50 0.73 -4.06 2.72 -0.58 -0.34 -1.79 120.64 123.82 1f5j n GLU 95 Ca 0.09 0.26 -0.10 0.00 -0.42 0.00 0.00 57.16 56.99 1f5j n GLU 95 Cb 0.47 -1.68 -0.07 0.00 -0.57 0.00 0.00 31.44 29.59 1f5j n GLU 95 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1f5j s SER 96 N -6.95 0.04 0.36 1.62 0.15 -1.02 -1.17 113.70 106.73 1f5j s SER 96 Ca -0.25 -1.07 -0.10 0.00 0.70 0.00 0.00 55.95 55.23 1f5j s SER 96 Cb 0.07 0.47 0.04 0.00 -1.71 0.00 0.00 66.02 64.89 1f5j s SER 96 CO 0.73 -0.96 0.65 -2.67 1.20 0.00 0.00 173.24 172.18 1f5j n TRP 97 N -0.29 -1.98 0.00 3.44 2.14 -1.26 -1.02 117.44 118.48 1f5j n TRP 97 Ca -0.02 -1.95 0.00 0.00 2.07 0.00 0.00 57.50 57.60 1f5j n TRP 97 Cb 0.64 0.75 0.00 0.00 -0.81 0.00 0.00 31.31 31.89 1f5j n TRP 97 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1f5j n GLY 98 N -0.52 0.76 0.08 -1.67 0.00 -0.18 -4.91 105.19 98.75 1f5j n GLY 98 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1f5j n GLY 98 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1f5j n ASN 99 N 0.00 0.73 -3.95 1.61 6.94 -1.24 -4.81 115.26 114.53 1f5j n ASN 99 Ca 0.00 0.32 -0.27 0.00 -0.02 0.00 0.00 54.58 54.62 1f5j n ASN 99 Cb 0.00 -0.28 -0.17 0.00 -2.36 0.00 0.00 39.78 36.97 1f5j n ASN 99 CO 0.00 0.00 0.00 0.86 -1.03 0.00 0.00 177.26 177.09 1f5j s TRP 100 N -3.13 1.59 -0.25 -2.53 -0.00 -1.26 -5.05 118.94 108.31 1f5j s TRP 100 Ca 0.08 -0.76 -0.29 0.00 -0.00 0.00 0.00 56.10 55.13 1f5j s TRP 100 Cb 0.13 -1.25 0.00 0.00 -0.00 0.00 0.00 33.47 32.35 1f5j s TRP 100 CO 0.66 -0.48 1.16 0.50 -0.00 0.00 0.00 176.95 178.79 1f5j s ARG 101 N 1.41 4.14 1.00 5.86 3.52 -1.26 -4.82 118.95 128.80 1f5j s ARG 101 Ca 0.00 1.35 -0.12 0.00 -0.13 0.00 0.00 55.73 56.83 1f5j s ARG 101 Cb -0.13 -3.74 0.19 0.00 -1.56 0.00 0.00 34.95 29.70 1f5j s ARG 101 CO -0.06 -0.80 1.10 -1.25 -0.81 0.00 0.00 175.30 173.48 1f5j s PRO 102 N 3.56 0.45 -0.10 5.12 0.04 -1.26 -4.47 135.00 138.35 1f5j s PRO 102 Ca 0.49 0.49 0.13 0.00 0.04 0.00 0.00 61.00 62.15 1f5j s PRO 102 Cb -0.16 -1.74 0.33 0.00 0.04 0.00 0.00 34.50 32.97 1f5j s PRO 102 CO 0.14 -2.71 1.25 -0.35 0.04 0.00 0.00 177.00 175.36 1f5j n PRO 103 N -4.16 2.51 -2.54 0.56 -0.04 -1.26 -4.92 135.00 125.15 1f5j n PRO 103 Ca 0.05 -2.38 -0.07 0.00 -0.04 0.00 0.00 63.50 61.06 1f5j n PRO 103 Cb 0.57 -1.49 0.04 0.00 -0.04 0.00 0.00 33.50 32.58 1f5j n PRO 103 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1f5j n GLY 104 N -0.52 0.05 3.53 0.55 0.00 -1.26 -5.06 105.19 102.48 1f5j n GLY 104 Ca 0.14 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1f5j n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f5j s ALA 105 N -3.17 0.06 0.07 4.61 0.00 -1.26 -5.13 121.76 116.94 1f5j s ALA 105 Ca 0.06 -1.07 -0.31 0.00 0.00 0.00 0.00 51.96 50.64 1f5j s ALA 105 Cb -0.01 1.11 -0.07 0.00 0.00 0.00 0.00 23.12 24.15 1f5j s ALA 105 CO 0.33 -0.82 1.38 0.99 0.00 0.00 0.00 175.76 177.64 1f5j s THR 106 N -3.84 3.51 0.31 0.00 2.01 -1.26 -4.98 115.64 111.38 1f5j s THR 106 Ca 0.25 1.03 -0.29 0.00 0.31 0.00 0.00 61.69 63.00 1f5j s THR 106 Cb 0.00 -3.66 -0.10 0.00 0.01 0.00 0.00 72.50 68.75 1f5j s THR 106 CO 0.11 0.05 1.18 -0.55 -0.69 0.00 0.00 174.62 174.72 1f5j s SER 107 N 1.37 7.03 -0.01 3.53 0.15 -1.26 -4.54 113.70 119.97 1f5j s SER 107 Ca 0.64 2.43 0.20 0.00 0.70 0.00 0.00 55.95 59.92 1f5j s SER 107 Cb -0.34 -2.63 0.59 0.00 -1.71 0.00 0.00 66.02 61.92 1f5j s SER 107 CO 0.29 -0.33 1.49 0.18 1.20 0.00 0.00 173.24 176.08 1f5j n LEU 108 N 0.95 3.84 0.00 3.45 4.77 0.16 -5.00 117.00 125.17 1f5j n LEU 108 Ca -0.00 -2.04 0.00 0.00 -0.03 0.00 0.00 56.01 53.94 1f5j n LEU 108 Cb 0.44 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1f5j n LEU 108 CO 0.56 0.93 0.00 0.61 -1.33 0.00 0.00 177.39 178.15 1f5j n GLY 109 N 1.39 2.91 3.41 -0.72 0.00 -1.26 -4.87 105.19 106.05 1f5j n GLY 109 Ca 0.22 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 1f5j n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1f5j s GLN 110 N -2.07 1.48 0.05 1.61 -0.21 -1.26 -0.62 119.66 118.64 1f5j s GLN 110 Ca 0.00 -1.31 -0.02 0.00 0.02 0.00 0.00 55.36 54.05 1f5j s GLN 110 Cb 0.00 -1.94 -0.03 0.00 1.00 0.00 0.00 33.01 32.03 1f5j s GLN 110 CO 0.00 0.46 0.00 0.14 -2.12 0.00 0.00 175.29 173.77 1f5j s VAL 111 N -1.07 0.20 -0.26 1.09 -7.23 -0.27 -4.97 120.40 107.88 1f5j s VAL 111 Ca 0.15 -1.63 -0.05 0.00 -1.81 0.00 0.00 61.98 58.64 1f5j s VAL 111 Cb -0.10 -1.37 0.01 0.00 0.56 0.00 0.00 36.38 35.48 1f5j s VAL 111 CO 0.07 -0.90 0.01 -0.89 -0.31 0.00 0.00 175.10 173.08 1f5j s THR 112 N -3.66 3.53 -0.02 5.32 2.01 -1.26 -0.87 115.64 120.69 1f5j s THR 112 Ca 0.04 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.34 1f5j s THR 112 Cb 0.06 -2.76 0.01 0.00 0.01 0.00 0.00 72.50 69.82 1f5j s THR 112 CO -0.09 0.20 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.37 1f5j s ILE 113 N 1.45 0.39 -1.54 1.82 1.01 0.01 -4.82 121.20 119.53 1f5j s ILE 113 Ca 0.03 -0.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.41 1f5j s ILE 113 Cb -0.16 -0.38 0.09 0.00 0.01 0.00 0.00 42.46 42.02 1f5j s ILE 113 CO -0.01 0.15 0.93 0.47 0.00 0.00 0.00 174.94 176.48 1f5j n ASP 114 N 3.44 -4.31 0.00 3.58 8.00 -1.26 -0.98 116.55 125.01 1f5j n ASP 114 Ca -0.19 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1f5j n ASP 114 Cb 0.55 -3.75 0.00 0.00 -0.02 0.00 0.00 41.12 37.90 1f5j n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f5j n GLY 115 N -1.66 1.09 3.61 0.44 0.00 -1.26 -4.96 105.19 102.45 1f5j n GLY 115 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1f5j n GLY 115 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f5j s GLY 116 N -2.00 1.72 -0.16 -0.02 0.00 -0.15 -5.11 107.32 101.60 1f5j s GLY 116 Ca 0.00 -1.47 -0.15 0.00 0.00 0.00 0.00 44.72 43.10 1f5j s GLY 116 CO 0.00 -1.50 0.33 -1.59 0.00 0.00 0.00 173.10 170.34 1f5j s THR 117 N -1.81 5.28 0.01 0.90 2.01 -1.26 -0.81 115.64 119.96 1f5j s THR 117 Ca 0.27 0.62 0.05 0.00 0.31 0.00 0.00 61.69 62.93 1f5j s THR 117 Cb -0.09 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 1f5j s THR 117 CO 0.17 0.37 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.00 1f5j s TYR 118 N 0.58 1.36 -0.04 4.92 1.51 -0.05 -0.69 117.35 124.95 1f5j s TYR 118 Ca 0.18 -0.30 -0.09 0.00 -1.01 0.00 0.00 57.07 55.85 1f5j s TYR 118 Cb -0.13 -0.85 -0.05 0.00 -0.11 0.00 0.00 41.96 40.82 1f5j s TYR 118 CO 0.05 0.01 0.27 -0.51 -1.11 0.00 0.00 175.55 174.26 1f5j s ASP 119 N -0.68 6.57 -0.13 2.29 1.01 -0.32 -1.12 116.67 124.28 1f5j s ASP 119 Ca 0.05 0.67 -0.05 0.00 0.71 0.00 0.00 52.55 53.92 1f5j s ASP 119 Cb -0.07 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 1f5j s ASP 119 CO 0.00 0.33 0.05 -0.63 0.21 0.00 0.00 175.17 175.14 1f5j s ILE 120 N -1.13 4.74 0.05 0.77 1.01 0.21 -0.80 121.20 126.05 1f5j s ILE 120 Ca 0.22 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.81 1f5j s ILE 120 Cb -0.14 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 1f5j s ILE 120 CO 0.11 0.55 -0.05 -0.31 0.00 0.00 0.00 174.94 175.24 1f5j s TYR 121 N -0.37 0.58 -0.05 3.97 1.51 0.04 0.36 117.35 123.40 1f5j s TYR 121 Ca 0.09 -0.80 0.04 0.00 -1.01 0.00 0.00 57.07 55.39 1f5j s TYR 121 Cb -0.12 -0.38 0.00 0.00 -0.11 0.00 0.00 41.96 41.35 1f5j s TYR 121 CO 0.02 -0.22 -0.16 0.50 -1.11 0.00 0.00 175.55 174.58 1f5j s ARG 122 N -2.87 1.74 0.30 -0.62 3.52 -1.26 -0.26 118.95 119.49 1f5j s ARG 122 Ca -0.00 -0.56 0.02 0.00 -0.13 0.00 0.00 55.73 55.06 1f5j s ARG 122 Cb -0.00 -1.49 -0.04 0.00 -1.56 0.00 0.00 34.95 31.85 1f5j s ARG 122 CO -0.05 0.19 0.12 0.95 -0.81 0.00 0.00 175.30 175.71 1f5j s THR 123 N 0.16 0.53 0.01 4.11 -4.23 -0.55 -4.80 115.64 110.88 1f5j s THR 123 Ca -0.06 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.47 1f5j s THR 123 Cb -0.12 -2.58 -0.01 0.00 1.34 0.00 0.00 72.50 71.13 1f5j s THR 123 CO 0.03 0.00 -0.08 -0.89 -0.54 0.00 0.00 174.62 173.14 1f5j s THR 124 N -3.60 0.60 -0.11 3.99 2.01 -1.26 -0.97 115.64 116.30 1f5j s THR 124 Ca 0.35 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.85 1f5j s THR 124 Cb 0.06 -0.54 0.01 0.00 0.01 0.00 0.00 72.50 72.04 1f5j s THR 124 CO 0.15 0.02 -0.20 -0.13 -0.69 0.00 0.00 174.62 173.78 1f5j s ARG 125 N -0.57 2.68 -0.22 4.92 1.81 0.70 -4.95 118.95 123.32 1f5j s ARG 125 Ca -0.00 -0.74 -0.06 0.00 -1.72 0.00 0.00 55.73 53.21 1f5j s ARG 125 Cb -0.05 -2.14 -0.03 0.00 -0.45 0.00 0.00 34.95 32.28 1f5j s ARG 125 CO 0.00 0.03 0.04 0.08 -0.68 0.00 0.00 175.30 174.77 1f5j s VAL 126 N 0.71 4.20 -1.22 3.52 1.01 -1.26 -1.31 120.40 126.04 1f5j s VAL 126 Ca -0.11 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 1f5j s VAL 126 Cb -0.16 -2.93 -0.00 0.00 0.00 0.00 0.00 36.38 33.29 1f5j s VAL 126 CO 0.02 0.39 0.68 0.59 0.00 0.00 0.00 175.10 176.77 1f5j n ASN 127 N 4.52 -3.74 -4.66 3.32 3.02 -0.88 -4.94 115.26 111.90 1f5j n ASN 127 Ca -0.17 -1.04 -0.25 0.00 -0.03 0.00 0.00 54.58 53.10 1f5j n ASN 127 Cb 0.52 -3.14 -0.08 0.00 -0.61 0.00 0.00 39.78 36.47 1f5j n ASN 127 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1f5j s GLN 128 N -6.28 2.13 0.60 3.52 -1.52 0.31 -4.70 119.66 113.74 1f5j s GLN 128 Ca 0.34 -1.76 -0.19 0.00 -1.95 0.00 0.00 55.36 51.80 1f5j s GLN 128 Cb -0.13 -1.95 -0.03 0.00 -0.22 0.00 0.00 33.01 30.68 1f5j s GLN 128 CO 0.88 0.08 1.25 -2.14 -0.25 0.00 0.00 175.29 175.11 1f5j s PRO 129 N -3.77 2.87 0.36 2.91 0.02 -1.26 -1.14 135.00 134.99 1f5j s PRO 129 Ca 0.36 1.95 -0.17 0.00 0.02 0.00 0.00 61.00 63.17 1f5j s PRO 129 Cb 0.01 -1.95 0.05 0.00 0.02 0.00 0.00 34.50 32.62 1f5j s PRO 129 CO 0.20 -1.32 0.77 -1.54 -0.33 0.00 0.00 177.00 174.78 1f5j s SER 130 N -1.44 -0.05 0.30 2.53 1.04 -1.23 -4.83 113.70 110.02 1f5j s SER 130 Ca 0.78 -1.03 0.23 0.00 0.48 0.00 0.00 55.95 56.42 1f5j s SER 130 Cb -0.34 0.82 1.09 0.00 0.10 0.00 0.00 66.02 67.70 1f5j s SER 130 CO 0.37 -1.61 1.70 2.30 0.98 0.00 0.00 173.24 176.98 1f5j n ILE 131 N -0.51 0.92 -1.38 -1.02 -5.35 -1.26 -2.25 119.36 108.51 1f5j n ILE 131 Ca -0.07 0.48 0.08 0.00 -0.27 0.00 0.00 62.75 62.97 1f5j n ILE 131 Cb 0.60 -1.45 0.15 0.00 -1.74 0.00 0.00 39.64 37.19 1f5j n ILE 131 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1f5j n VAL 132 N -2.27 1.78 0.00 7.28 0.24 -1.26 -5.11 118.33 118.99 1f5j n VAL 132 Ca 0.00 -2.39 0.00 0.00 -2.04 0.00 0.00 64.34 59.91 1f5j n VAL 132 Cb 0.13 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1f5j n VAL 132 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1f5j n GLY 133 N -1.14 -0.09 3.62 7.63 0.00 -0.95 -4.91 105.19 109.34 1f5j n GLY 133 Ca 0.15 -1.90 -0.55 0.00 0.00 0.00 0.00 46.02 43.72 1f5j n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1f5j n THR 134 N -0.20 0.08 -3.82 2.61 -1.04 -1.26 -3.48 114.28 107.18 1f5j n THR 134 Ca 0.00 -0.02 -0.07 0.00 -2.04 0.00 0.00 64.05 61.92 1f5j n THR 134 Cb 0.00 -0.82 -0.02 0.00 -1.82 0.00 0.00 70.33 67.67 1f5j n THR 134 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1f5j s ALA 135 N 1.40 -1.26 -0.14 2.41 0.00 -0.29 -4.88 121.76 119.00 1f5j s ALA 135 Ca 0.90 -0.24 -0.00 0.00 0.00 0.00 0.00 51.96 52.62 1f5j s ALA 135 Cb -1.05 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1f5j s ALA 135 CO 0.55 -1.02 -0.13 0.99 0.00 0.00 0.00 175.76 176.15 1f5j s THR 136 N -3.90 2.98 0.23 0.00 2.01 -1.26 -0.53 115.64 115.17 1f5j s THR 136 Ca 0.10 -0.68 -0.21 0.00 0.31 0.00 0.00 61.69 61.21 1f5j s THR 136 Cb -0.06 -2.26 0.04 0.00 0.01 0.00 0.00 72.50 70.24 1f5j s THR 136 CO 0.05 0.52 0.65 0.72 -0.69 0.00 0.00 174.62 175.87 1f5j s PHE 137 N 0.50 -0.28 0.43 4.92 -0.12 -0.43 -4.95 117.98 118.05 1f5j s PHE 137 Ca -0.09 -0.08 0.02 0.00 -0.05 0.00 0.00 56.93 56.73 1f5j s PHE 137 Cb -0.16 0.61 -0.00 0.00 -0.63 0.00 0.00 43.02 42.84 1f5j s PHE 137 CO 0.04 -1.06 0.63 -0.51 -0.05 0.00 0.00 175.22 174.27 1f5j s ASP 138 N -2.86 5.83 -0.01 1.98 1.01 -1.26 -0.22 116.67 121.15 1f5j s ASP 138 Ca 0.08 0.16 0.05 0.00 0.71 0.00 0.00 52.55 53.55 1f5j s ASP 138 Cb -0.04 -1.43 -0.01 0.00 1.01 0.00 0.00 42.92 42.45 1f5j s ASP 138 CO -0.01 -0.67 -0.18 -1.10 0.21 0.00 0.00 175.17 173.43 1f5j s GLN 139 N -4.48 1.45 -0.06 8.23 -0.21 -0.14 -2.35 119.66 122.09 1f5j s GLN 139 Ca 0.48 -0.64 0.02 0.00 0.02 0.00 0.00 55.36 55.25 1f5j s GLN 139 Cb -0.10 -1.40 -0.03 0.00 1.00 0.00 0.00 33.01 32.49 1f5j s GLN 139 CO 0.36 0.38 -0.12 0.71 -2.12 0.00 0.00 175.29 174.50 1f5j s TYR 140 N -0.41 2.78 0.05 0.91 2.02 -0.84 -1.48 117.35 120.37 1f5j s TYR 140 Ca 0.07 -0.17 0.03 0.00 -0.37 0.00 0.00 57.07 56.63 1f5j s TYR 140 Cb -0.07 -1.68 -0.02 0.00 -0.40 0.00 0.00 41.96 39.79 1f5j s TYR 140 CO -0.01 0.17 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.46 1f5j s TRP 141 N -0.61 0.90 -0.10 2.71 0.52 0.64 -0.63 118.94 122.36 1f5j s TRP 141 Ca 0.09 -0.44 -0.01 0.00 0.02 0.00 0.00 56.10 55.76 1f5j s TRP 141 Cb -0.11 -0.52 0.03 0.00 -1.15 0.00 0.00 33.47 31.71 1f5j s TRP 141 CO 0.01 -0.02 -0.06 -1.12 0.02 0.00 0.00 176.95 175.79 1f5j s SER 142 N -1.48 2.04 -0.15 2.95 0.01 -0.72 -0.78 113.70 115.58 1f5j s SER 142 Ca -0.05 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1f5j s SER 142 Cb -0.09 -0.74 0.02 0.00 0.21 0.00 0.00 66.02 65.41 1f5j s SER 142 CO 0.01 -0.14 -0.15 -0.69 0.41 0.00 0.00 173.24 172.68 1f5j s VAL 143 N 1.77 1.64 0.55 3.43 1.01 0.02 -0.55 120.40 128.28 1f5j s VAL 143 Ca 0.05 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.14 1f5j s VAL 143 Cb -0.12 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 1f5j s VAL 143 CO -0.08 0.47 1.35 -0.60 0.00 0.00 0.00 175.10 176.24 1f5j s ARG 144 N 1.43 3.12 0.47 2.72 3.52 -0.74 -1.18 118.95 128.29 1f5j s ARG 144 Ca 0.04 2.21 0.27 0.00 -0.13 0.00 0.00 55.73 58.12 1f5j s ARG 144 Cb -0.13 -2.23 0.82 0.00 -1.56 0.00 0.00 34.95 31.85 1f5j s ARG 144 CO -0.11 -1.20 1.78 1.79 -0.81 0.00 0.00 175.30 176.75 1f5j h THR 145 N 1.39 0.18 -3.99 4.11 1.35 -1.26 -3.45 112.91 111.24 1f5j h THR 145 Ca -0.51 -0.94 -0.14 0.00 -0.55 0.00 0.00 66.41 64.27 1f5j h THR 145 Cb 1.30 1.81 -0.18 0.00 -1.73 0.00 0.00 68.15 69.34 1f5j h THR 145 CO 0.57 0.08 -0.64 -0.94 -0.25 0.00 0.00 175.52 174.35 1f5j s SER 146 N -6.03 0.29 0.30 5.36 1.04 -1.26 -5.12 113.70 108.27 1f5j s SER 146 Ca 0.03 -0.64 -0.29 0.00 0.48 0.00 0.00 55.95 55.53 1f5j s SER 146 Cb 0.08 0.17 -0.10 0.00 0.10 0.00 0.00 66.02 66.27 1f5j s SER 146 CO 0.62 -0.45 1.14 -0.54 0.98 0.00 0.00 173.24 174.99 1f5j s LYS 147 N -2.49 4.53 -0.01 4.02 1.02 -1.26 -4.87 119.74 120.67 1f5j s LYS 147 Ca -0.06 1.87 -0.02 0.00 0.02 0.00 0.00 55.97 57.78 1f5j s LYS 147 Cb -0.02 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.19 1f5j s LYS 147 CO -0.05 0.09 0.04 0.50 -0.92 0.00 0.00 175.35 175.02 1f5j s ARG 148 N -1.62 0.13 -0.03 1.68 3.52 -0.32 -4.99 118.95 117.33 1f5j s ARG 148 Ca 0.47 -0.08 0.04 0.00 -0.13 0.00 0.00 55.73 56.03 1f5j s ARG 148 Cb -0.33 0.05 0.07 0.00 -1.56 0.00 0.00 34.95 33.18 1f5j s ARG 148 CO 0.42 -0.02 0.91 0.25 -0.81 0.00 0.00 175.30 176.05 1f5j n THR 149 N 2.69 0.77 -3.63 4.11 -2.24 -1.26 -3.65 114.28 111.07 1f5j n THR 149 Ca -0.15 -0.86 -0.12 0.00 -2.27 0.00 0.00 64.05 60.66 1f5j n THR 149 Cb 0.59 0.46 -0.07 0.00 -2.10 0.00 0.00 70.33 69.21 1f5j n THR 149 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1f5j s SER 150 N -1.18 -0.57 0.00 3.42 1.04 -1.26 -0.89 113.70 114.26 1f5j s SER 150 Ca 0.07 1.06 0.00 0.00 0.48 0.00 0.00 55.95 57.56 1f5j s SER 150 Cb 0.06 1.06 0.00 0.00 0.10 0.00 0.00 66.02 67.24 1f5j s SER 150 CO 0.01 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1f5j n GLY 151 N 2.24 0.23 3.22 7.32 0.00 -0.58 -5.00 105.19 112.62 1f5j n GLY 151 Ca -0.13 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 1f5j n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f5j s THR 152 N -2.99 1.79 -0.21 2.61 2.01 -1.26 -0.96 115.64 116.64 1f5j s THR 152 Ca 0.00 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.07 1f5j s THR 152 Cb 0.00 -1.52 0.02 0.00 0.01 0.00 0.00 72.50 71.01 1f5j s THR 152 CO 0.00 0.51 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.60 1f5j s VAL 153 N -0.15 2.38 -1.10 3.82 1.01 0.59 -4.83 120.40 122.12 1f5j s VAL 153 Ca -0.02 -0.98 -0.17 0.00 0.00 0.00 0.00 61.98 60.81 1f5j s VAL 153 Cb -0.12 -2.10 0.13 0.00 0.00 0.00 0.00 36.38 34.29 1f5j s VAL 153 CO 0.02 0.39 1.37 -0.89 0.00 0.00 0.00 175.10 176.00 1f5j s THR 154 N 1.30 4.70 0.28 3.92 2.01 -1.26 -0.66 115.64 125.92 1f5j s THR 154 Ca 0.03 -1.99 0.01 0.00 0.31 0.00 0.00 61.69 60.05 1f5j s THR 154 Cb -0.15 -4.92 0.27 0.00 0.01 0.00 0.00 72.50 67.72 1f5j s THR 154 CO -0.09 -1.66 1.71 0.58 -0.69 0.00 0.00 174.62 174.46 1f5j h VAL 155 N 5.40 0.53 0.00 3.82 2.07 -1.63 0.41 116.25 126.83 1f5j h VAL 155 Ca 0.27 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1f5j h VAL 155 Cb 0.94 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1f5j h VAL 155 CO 1.24 0.08 0.00 0.71 0.02 0.00 0.00 177.57 179.62 1f5j h THR 156 N 0.42 0.00 -0.14 2.57 1.35 -1.89 -1.81 112.91 113.41 1f5j h THR 156 Ca 0.52 -0.33 -0.19 0.00 -0.55 0.00 0.00 66.41 65.86 1f5j h THR 156 Cb 0.93 1.33 -0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1f5j h THR 156 CO -0.50 0.00 -0.69 0.44 -0.25 0.00 0.00 175.52 174.53 1f5j h ASP 157 N 0.00 0.67 -0.39 5.36 5.19 -1.23 -2.24 116.42 123.78 1f5j h ASP 157 Ca 0.00 -0.41 -0.11 0.00 -0.62 0.00 0.00 57.03 55.89 1f5j h ASP 157 Cb 0.33 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 1f5j h ASP 157 CO 0.00 1.17 -0.19 0.45 -3.12 0.00 0.00 179.24 177.55 1f5j h HIS 158 N 0.41 0.94 -0.57 4.55 3.86 -1.32 -0.78 115.15 122.24 1f5j h HIS 158 Ca -0.02 -0.23 0.08 0.00 -1.16 0.00 0.00 60.37 59.04 1f5j h HIS 158 Cb 1.27 -0.22 -0.07 0.00 1.06 0.00 0.00 27.41 29.46 1f5j h HIS 158 CO 0.06 0.99 0.20 0.74 0.86 0.00 0.00 177.93 180.78 1f5j h PHE 159 N 0.62 0.35 -0.26 2.45 0.04 -1.31 0.16 116.94 118.99 1f5j h PHE 159 Ca 0.09 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 1f5j h PHE 159 Cb 0.74 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 1f5j h PHE 159 CO 0.06 0.09 0.07 -0.09 -0.60 0.00 0.00 178.31 177.84 1f5j h ARG 160 N 0.38 0.41 -1.00 1.51 9.65 -1.19 -0.10 114.38 124.04 1f5j h ARG 160 Ca 0.28 -0.10 0.06 0.00 -1.10 0.00 0.00 59.98 59.13 1f5j h ARG 160 Cb 0.33 -0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 28.79 1f5j h ARG 160 CO -0.29 0.50 0.65 0.00 2.80 0.00 0.00 179.97 183.63 1f5j h ALA 161 N 0.89 1.41 -0.15 2.80 0.00 -0.35 0.37 119.26 124.23 1f5j h ALA 161 Ca 0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1f5j h ALA 161 Cb 0.27 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1f5j h ALA 161 CO -0.00 0.45 -0.08 -1.49 0.00 0.00 0.00 179.25 178.12 1f5j h TRP 162 N 1.17 0.38 -0.64 0.00 6.55 -0.47 -3.14 115.95 119.80 1f5j h TRP 162 Ca 0.43 -0.10 0.08 0.00 0.95 0.00 0.00 58.89 60.25 1f5j h TRP 162 Cb 0.16 -0.09 -0.07 0.00 -0.86 0.00 0.00 29.16 28.30 1f5j h TRP 162 CO -0.00 0.66 0.30 0.00 -1.05 0.00 0.00 178.44 178.34 1f5j h ALA 163 N 0.66 0.86 0.00 1.49 0.00 -0.27 -0.08 119.26 121.93 1f5j h ALA 163 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1f5j h ALA 163 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1f5j h ALA 163 CO 0.02 -0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.26 1f5j n ASN 164 N -4.91 0.10 -0.49 0.00 3.02 0.05 -1.48 115.26 111.54 1f5j n ASN 164 Ca 0.09 0.54 0.07 0.00 -0.03 0.00 0.00 54.58 55.25 1f5j n ASN 164 Cb 0.25 -0.55 0.19 0.00 -0.61 0.00 0.00 39.78 39.06 1f5j n ASN 164 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1f5j n ARG 165 N -1.62 1.85 -0.79 3.52 1.74 -0.15 -4.97 116.66 116.23 1f5j n ARG 165 Ca 0.01 -2.82 0.00 0.00 -0.77 0.00 0.00 57.85 54.27 1f5j n ARG 165 Cb 0.07 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 1f5j n ARG 165 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f5j n GLY 166 N -1.10 0.78 3.36 -0.13 0.00 -0.55 -5.00 105.19 102.56 1f5j n GLY 166 Ca 0.20 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 1f5j n GLY 166 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f5j s LEU 167 N 0.00 5.84 0.02 0.99 1.43 -0.54 -4.99 118.68 121.43 1f5j s LEU 167 Ca 0.00 -1.95 -0.18 0.00 -1.03 0.00 0.00 54.13 50.97 1f5j s LEU 167 Cb 0.00 -2.28 -0.06 0.00 0.03 0.00 0.00 46.19 43.88 1f5j s LEU 167 CO 0.00 -0.92 0.50 0.54 0.23 0.00 0.00 176.35 176.71 1f5j s ASN 168 N 3.21 6.92 0.35 2.29 4.22 -1.26 -2.89 114.94 127.78 1f5j s ASN 168 Ca 0.16 1.10 0.08 0.00 -2.14 0.00 0.00 52.86 52.05 1f5j s ASN 168 Cb -0.18 -2.31 -0.04 0.00 1.28 0.00 0.00 41.25 40.00 1f5j s ASN 168 CO -0.01 0.24 0.21 -0.76 -2.04 0.00 0.00 177.10 174.74 1f5j s LEU 169 N -0.81 3.35 0.00 3.54 1.43 -1.26 -4.78 118.68 120.15 1f5j s LEU 169 Ca 0.27 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1f5j s LEU 169 Cb -0.18 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1f5j s LEU 169 CO 0.16 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 176.98 1f5j n GLY 170 N -1.26 1.97 3.65 -3.19 0.00 -1.26 -4.76 105.19 100.35 1f5j n GLY 170 Ca -0.02 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1f5j n GLY 170 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f5j s THR 171 N 2.44 4.95 -0.14 2.61 2.01 -0.33 -2.40 115.64 124.78 1f5j s THR 171 Ca 0.00 1.33 -0.29 0.00 0.31 0.00 0.00 61.69 63.04 1f5j s THR 171 Cb 0.00 -4.01 -0.01 0.00 0.01 0.00 0.00 72.50 68.49 1f5j s THR 171 CO 0.00 0.04 1.17 -0.63 -0.69 0.00 0.00 174.62 174.51 1f5j s ILE 172 N 2.26 4.41 -0.13 1.82 -1.09 -0.03 -0.62 121.20 127.82 1f5j s ILE 172 Ca 0.31 1.71 -0.23 0.00 -2.23 0.00 0.00 60.65 60.22 1f5j s ILE 172 Cb -0.16 -4.10 -0.25 0.00 -1.58 0.00 0.00 42.46 36.37 1f5j s ILE 172 CO 0.10 -0.09 0.59 -0.78 -1.23 0.00 0.00 174.94 173.53 1f5j h ASP 173 N 7.72 0.17 -5.03 3.58 3.58 -0.94 0.40 116.42 125.90 1f5j h ASP 173 Ca -0.28 -0.83 -0.04 0.00 0.42 0.00 0.00 57.03 56.30 1f5j h ASP 173 Cb 1.12 -0.06 -0.14 0.00 1.72 0.00 0.00 39.33 41.97 1f5j h ASP 173 CO 0.93 1.34 0.07 0.00 -2.88 0.00 0.00 179.24 178.71 1f5j s GLN 174 N -2.35 1.13 -0.04 0.28 -2.07 -1.22 -1.23 119.66 114.16 1f5j s GLN 174 Ca -0.21 -0.46 -0.00 0.00 -1.82 0.00 0.00 55.36 52.87 1f5j s GLN 174 Cb 0.02 0.51 0.03 0.00 -1.09 0.00 0.00 33.01 32.48 1f5j s GLN 174 CO 0.71 -0.45 0.00 0.42 -1.32 0.00 0.00 175.29 174.65 1f5j s ILE 175 N -3.31 0.23 0.17 3.63 1.01 -0.59 -2.55 121.20 119.80 1f5j s ILE 175 Ca -0.01 0.11 -0.02 0.00 0.00 0.00 0.00 60.65 60.73 1f5j s ILE 175 Cb 0.00 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 42.08 1f5j s ILE 175 CO -0.09 0.19 0.14 0.42 0.00 0.00 0.00 174.94 175.60 1f5j s THR 176 N 1.37 0.05 -0.24 2.92 -4.23 0.13 -1.49 115.64 114.15 1f5j s THR 176 Ca -0.05 -1.88 -0.09 0.00 -1.18 0.00 0.00 61.69 58.49 1f5j s THR 176 Cb -0.13 -2.25 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 1f5j s THR 176 CO -0.02 -0.21 0.13 -0.22 -0.54 0.00 0.00 174.62 173.76 1f5j s LEU 177 N -3.09 3.86 0.04 4.79 2.96 -0.23 -0.04 118.68 126.97 1f5j s LEU 177 Ca 0.30 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.24 1f5j s LEU 177 Cb 0.06 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 1f5j s LEU 177 CO 0.07 0.03 -0.10 0.00 -1.32 0.00 0.00 176.35 175.03 1f5j s VAL 179 N -0.98 2.47 0.08 0.00 1.01 0.10 -0.50 120.40 122.57 1f5j s VAL 179 Ca -0.03 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.18 1f5j s VAL 179 Cb -0.08 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1f5j s VAL 179 CO 0.01 0.47 -0.20 -0.70 0.00 0.00 0.00 175.10 174.68 1f5j s GLU 180 N 1.34 1.86 0.05 2.72 2.12 -0.24 -1.02 118.70 125.54 1f5j s GLU 180 Ca 0.04 -1.11 0.03 0.00 0.36 0.00 0.00 54.97 54.30 1f5j s GLU 180 Cb -0.14 -2.11 -0.03 0.00 0.26 0.00 0.00 34.13 32.11 1f5j s GLU 180 CO -0.10 0.50 -0.10 0.20 -0.54 0.00 0.00 175.26 175.23 1f5j s GLY 181 N -1.78 0.64 -0.11 -1.50 0.00 -0.09 -0.73 107.32 103.76 1f5j s GLY 181 Ca 0.16 -0.87 -0.04 0.00 0.00 0.00 0.00 44.72 43.97 1f5j s GLY 181 CO 0.07 -0.91 0.08 -0.47 0.00 0.00 0.00 173.10 171.87 1f5j s TYR 182 N -1.43 0.11 -1.33 1.90 5.04 -0.68 -2.09 117.35 118.86 1f5j s TYR 182 Ca -0.06 -0.02 -0.17 0.00 -2.44 0.00 0.00 57.07 54.37 1f5j s TYR 182 Cb -0.09 -0.58 0.02 0.00 0.35 0.00 0.00 41.96 41.65 1f5j s TYR 182 CO 0.01 -0.36 0.46 1.04 -1.34 0.00 0.00 175.55 175.35 1f5j n GLN 183 N 5.29 -1.13 -1.88 4.97 6.02 0.95 -4.27 117.38 127.33 1f5j n GLN 183 Ca -0.05 0.19 -0.03 0.00 -0.01 0.00 0.00 57.00 57.10 1f5j n GLN 183 Cb 0.49 -3.42 0.00 0.00 1.02 0.00 0.00 30.24 28.34 1f5j n GLN 183 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1f5j n SER 184 N -2.59 -0.59 -4.27 1.08 3.41 -1.26 -4.73 113.62 104.67 1f5j n SER 184 Ca -0.21 -1.47 -0.15 0.00 -0.26 0.00 0.00 58.87 56.79 1f5j n SER 184 Cb 0.63 0.99 -0.10 0.00 -0.26 0.00 0.00 64.21 65.47 1f5j n SER 184 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1f5j s SER 185 N -1.59 1.27 0.00 4.04 1.04 -1.26 -3.92 113.70 113.28 1f5j s SER 185 Ca 0.05 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.24 1f5j s SER 185 Cb -0.01 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1f5j s SER 185 CO 0.04 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1f5j n GLY 186 N -0.33 -2.33 3.21 7.32 0.00 -0.53 -1.06 105.19 111.47 1f5j n GLY 186 Ca -0.04 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 1f5j n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f5j s SER 187 N -0.02 -0.01 0.00 1.61 1.04 -0.85 -1.36 113.70 114.11 1f5j s SER 187 Ca 0.00 -0.38 -0.28 0.00 0.48 0.00 0.00 55.95 55.76 1f5j s SER 187 Cb 0.00 0.33 0.07 0.00 0.10 0.00 0.00 66.02 66.52 1f5j s SER 187 CO 0.00 -0.63 0.64 0.00 0.98 0.00 0.00 173.24 174.23 1f5j s ALA 188 N -2.95 -1.67 -0.23 5.32 0.00 -0.33 -0.64 121.76 121.25 1f5j s ALA 188 Ca -0.02 1.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.96 1f5j s ALA 188 Cb 0.01 0.22 0.08 0.00 0.00 0.00 0.00 23.12 23.43 1f5j s ALA 188 CO -0.06 -0.46 0.10 1.21 0.00 0.00 0.00 175.76 176.55 1f5j s ASN 189 N -1.59 2.99 -0.32 0.00 3.04 0.12 -1.30 114.94 117.88 1f5j s ASN 189 Ca -0.08 -0.97 -0.27 0.00 0.04 0.00 0.00 52.86 51.58 1f5j s ASN 189 Cb -0.00 -0.34 0.01 0.00 -1.54 0.00 0.00 41.25 39.38 1f5j s ASN 189 CO 0.04 -0.39 0.95 -0.63 -3.04 0.00 0.00 177.10 174.03 1f5j s ILE 190 N 2.08 4.63 -1.93 -5.21 1.09 0.66 -0.85 121.20 121.66 1f5j s ILE 190 Ca 0.05 1.46 0.20 0.00 -1.10 0.00 0.00 60.65 61.27 1f5j s ILE 190 Cb -0.16 -4.30 0.01 0.00 -1.06 0.00 0.00 42.46 36.95 1f5j s ILE 190 CO -0.22 -0.40 1.02 0.35 -0.10 0.00 0.00 174.94 175.59 1f5j n THR 191 N 5.75 0.00 -3.64 2.92 -2.24 -0.44 -2.25 114.28 114.39 1f5j n THR 191 Ca 0.08 -0.32 -0.10 0.00 -2.27 0.00 0.00 64.05 61.45 1f5j n THR 191 Cb 0.48 1.26 -0.07 0.00 -2.10 0.00 0.00 70.33 69.90 1f5j n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1f5j s GLN 192 N -2.19 0.73 -0.48 -0.78 0.74 -1.10 -4.89 119.66 111.68 1f5j s GLN 192 Ca 0.18 1.05 0.06 0.00 0.05 0.00 0.00 55.36 56.70 1f5j s GLN 192 Cb 0.16 0.27 0.23 0.00 1.10 0.00 0.00 33.01 34.76 1f5j s GLN 192 CO 0.48 -0.12 0.79 -1.71 -0.55 0.00 0.00 175.29 174.18 1f5j n ASN 193 N 3.40 -2.62 -4.74 6.67 5.15 -1.24 -1.71 115.26 120.17 1f5j n ASN 193 Ca -0.17 -3.11 -0.37 0.00 -0.60 0.00 0.00 54.58 50.33 1f5j n ASN 193 Cb 0.57 1.46 -0.07 0.00 -0.53 0.00 0.00 39.78 41.21 1f5j n ASN 193 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1f5j s THR 194 N 0.51 5.26 -0.09 -0.44 2.01 -0.27 -4.69 115.64 117.93 1f5j s THR 194 Ca 0.32 0.67 -0.03 0.00 0.31 0.00 0.00 61.69 62.95 1f5j s THR 194 Cb 0.16 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1f5j s THR 194 CO -0.19 0.40 0.05 -0.36 -0.69 0.00 0.00 174.62 173.83 1f5j s PHE 195 N 0.33 3.31 -0.05 4.92 0.40 -1.26 -0.98 117.98 124.64 1f5j s PHE 195 Ca 0.19 0.30 -0.00 0.00 -0.60 0.00 0.00 56.93 56.82 1f5j s PHE 195 Cb -0.14 -1.84 0.03 0.00 0.51 0.00 0.00 43.02 41.58 1f5j s PHE 195 CO 0.06 0.56 0.00 -1.54 0.70 0.00 0.00 175.22 175.01 1f5j s SER 196 N -0.97 0.99 -0.13 1.36 1.04 -0.19 -5.00 113.70 110.81 1f5j s SER 196 Ca 0.14 -0.04 -0.01 0.00 0.48 0.00 0.00 55.95 56.52 1f5j s SER 196 Cb -0.12 -0.31 0.03 0.00 0.10 0.00 0.00 66.02 65.73 1f5j s SER 196 CO 0.03 -0.15 -0.04 -1.58 0.98 0.00 0.00 173.24 172.49 1f5j s GLN 197 N 1.49 1.20 0.18 4.02 0.74 -1.26 -0.53 119.66 125.50 1f5j s GLN 197 Ca -0.03 -0.27 0.01 0.00 0.05 0.00 0.00 55.36 55.13 1f5j s GLN 197 Cb -0.13 -1.62 -0.05 0.00 1.10 0.00 0.00 33.01 32.31 1f5j s GLN 197 CO -0.03 -0.36 0.03 -1.54 -0.55 0.00 0.00 175.29 172.84 1f5j s SER 198 N 1.76 1.02 0.00 6.67 1.04 -0.42 -4.97 113.70 118.80 1f5j s SER 198 Ca 0.03 -1.23 0.07 0.00 0.48 0.00 0.00 55.95 55.31 1f5j s SER 198 Cb -0.14 0.17 0.06 0.00 0.10 0.00 0.00 66.02 66.21 1f5j s SER 198 CO -0.07 -0.64 0.73 -1.20 0.98 0.00 0.00 173.24 173.04