#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hd8 s THR 3 N 0.00 4.43 -0.01 6.66 -4.23 -1.26 -4.97 115.64 116.26 3hd8 s THR 3 Ca 0.00 1.41 0.01 0.00 -1.18 0.00 0.00 61.69 61.93 3hd8 s THR 3 Cb 0.00 -3.65 0.02 0.00 1.34 0.00 0.00 72.50 70.21 3hd8 s THR 3 CO 0.00 -0.23 0.72 -0.90 -0.54 0.00 0.00 174.62 173.67 3hd8 n ASP 4 N -0.43 0.51 -3.87 3.99 5.68 -0.35 -4.90 116.55 117.18 3hd8 n ASP 4 Ca 0.06 -1.50 -0.17 0.00 -0.50 0.00 0.00 54.79 52.68 3hd8 n ASP 4 Cb 0.53 -0.06 -0.16 0.00 -1.14 0.00 0.00 41.12 40.29 3hd8 n ASP 4 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3hd8 s TYR 5 N -0.36 0.45 -0.08 2.11 5.04 -0.97 -4.66 117.35 118.89 3hd8 s TYR 5 Ca 0.02 -0.07 0.04 0.00 -2.44 0.00 0.00 57.07 54.61 3hd8 s TYR 5 Cb 0.02 -0.44 0.00 0.00 0.35 0.00 0.00 41.96 41.89 3hd8 s TYR 5 CO 0.00 -0.12 -0.20 -0.46 -1.34 0.00 0.00 175.55 173.43 3hd8 s TRP 6 N 0.73 2.16 -0.12 4.97 -0.00 -1.26 -1.62 118.94 123.80 3hd8 s TRP 6 Ca -0.08 -0.84 0.02 0.00 -0.00 0.00 0.00 56.10 55.20 3hd8 s TRP 6 Cb -0.11 -1.47 0.01 0.00 -0.00 0.00 0.00 33.47 31.90 3hd8 s TRP 6 CO -0.01 -0.35 -0.18 -1.14 -0.00 0.00 0.00 176.95 175.28 3hd8 s GLN 7 N 0.40 2.52 -0.31 5.86 0.74 -0.55 -5.01 119.66 123.30 3hd8 s GLN 7 Ca -0.16 -0.67 -0.00 0.00 0.05 0.00 0.00 55.36 54.58 3hd8 s GLN 7 Cb -0.17 -2.10 0.14 0.00 1.10 0.00 0.00 33.01 31.98 3hd8 s GLN 7 CO 0.07 -0.05 0.29 1.21 -0.55 0.00 0.00 175.29 176.26 3hd8 s ASN 8 N 0.95 1.77 -0.02 6.67 3.04 -1.26 -1.29 114.94 124.80 3hd8 s ASN 8 Ca -0.06 -0.99 0.05 0.00 0.04 0.00 0.00 52.86 51.90 3hd8 s ASN 8 Cb -0.15 0.42 -0.01 0.00 -1.54 0.00 0.00 41.25 39.97 3hd8 s ASN 8 CO -0.02 -0.37 -0.18 0.86 -3.04 0.00 0.00 177.10 174.35 3hd8 s TRP 9 N 2.13 1.63 0.05 0.43 -0.00 -0.57 -5.02 118.94 117.58 3hd8 s TRP 9 Ca 0.11 -0.35 0.03 0.00 -0.00 0.00 0.00 56.10 55.89 3hd8 s TRP 9 Cb -0.15 -1.06 -0.02 0.00 -0.00 0.00 0.00 33.47 32.24 3hd8 s TRP 9 CO -0.27 -0.06 -0.08 -0.08 -0.00 0.00 0.00 176.95 176.46 3hd8 s THR 10 N -0.31 0.60 -2.13 5.86 -1.32 -1.26 -0.92 115.64 116.17 3hd8 s THR 10 Ca 0.04 -1.12 0.18 0.00 -1.21 0.00 0.00 61.69 59.59 3hd8 s THR 10 Cb -0.08 -0.68 0.46 0.00 -1.51 0.00 0.00 72.50 70.70 3hd8 s THR 10 CO -0.00 -0.37 1.59 -0.90 -2.21 0.00 0.00 174.62 172.73 3hd8 n ASP 11 N 1.42 0.82 0.00 8.08 5.75 0.20 -4.91 116.55 127.91 3hd8 n ASP 11 Ca -0.22 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 3hd8 n ASP 11 Cb 0.55 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 3hd8 n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hd8 n GLY 12 N 0.94 3.04 3.69 6.12 0.00 -1.26 -4.98 105.19 112.74 3hd8 n GLY 12 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3hd8 n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hd8 s GLY 13 N -2.85 1.75 0.00 -0.02 0.00 -1.26 -4.83 107.32 100.11 3hd8 s GLY 13 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 44.72 45.78 3hd8 s GLY 13 CO 0.00 2.63 0.00 0.61 0.00 0.00 0.00 173.10 176.34 3hd8 n GLY 14 N 3.76 -0.65 3.12 0.20 0.00 -1.14 -3.35 105.19 107.14 3hd8 n GLY 14 Ca 0.14 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 3hd8 n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hd8 s ILE 15 N 0.00 2.00 -0.33 -0.61 1.01 -0.22 -4.95 121.20 118.10 3hd8 s ILE 15 Ca 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.76 3hd8 s ILE 15 Cb 0.00 -1.81 0.10 0.00 0.01 0.00 0.00 42.46 40.76 3hd8 s ILE 15 CO 0.00 0.53 0.06 -0.69 0.00 0.00 0.00 174.94 174.84 3hd8 s VAL 16 N 1.20 1.78 -0.43 2.92 1.01 -1.26 -1.48 120.40 124.14 3hd8 s VAL 16 Ca 0.02 -1.99 -0.16 0.00 0.00 0.00 0.00 61.98 59.86 3hd8 s VAL 16 Cb -0.14 -2.31 0.03 0.00 0.00 0.00 0.00 36.38 33.96 3hd8 s VAL 16 CO -0.10 -0.61 0.35 0.20 0.00 0.00 0.00 175.10 174.95 3hd8 s ASN 17 N 1.16 6.14 -0.08 3.32 0.01 0.50 -5.00 114.94 120.98 3hd8 s ASN 17 Ca 0.10 -0.93 0.04 0.00 -0.71 0.00 0.00 52.86 51.36 3hd8 s ASN 17 Cb -0.18 -2.18 -0.01 0.00 0.41 0.00 0.00 41.25 39.28 3hd8 s ASN 17 CO -0.14 -0.52 -0.20 0.00 -1.51 0.00 0.00 177.10 174.73 3hd8 s ALA 18 N 1.79 2.35 -0.15 0.60 0.00 -1.26 -0.71 121.76 124.38 3hd8 s ALA 18 Ca 0.07 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.06 3hd8 s ALA 18 Cb -0.20 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 22.06 3hd8 s ALA 18 CO 0.10 0.37 -0.18 0.08 0.00 0.00 0.00 175.76 176.13 3hd8 s VAL 19 N -0.01 1.83 -0.73 0.00 1.01 -0.07 -5.00 120.40 117.44 3hd8 s VAL 19 Ca -0.07 -0.81 -0.24 0.00 0.00 0.00 0.00 61.98 60.87 3hd8 s VAL 19 Cb -0.15 -1.66 0.06 0.00 0.00 0.00 0.00 36.38 34.63 3hd8 s VAL 19 CO 0.05 0.50 1.10 0.21 0.00 0.00 0.00 175.10 176.96 3hd8 s ASN 20 N 1.18 6.23 0.89 3.32 3.84 -1.26 -2.24 114.94 126.90 3hd8 s ASN 20 Ca 0.00 -0.95 -0.10 0.00 0.21 0.00 0.00 52.86 52.02 3hd8 s ASN 20 Cb -0.14 -2.47 0.19 0.00 -0.55 0.00 0.00 41.25 38.29 3hd8 s ASN 20 CO -0.08 -1.53 1.18 0.61 -2.79 0.00 0.00 177.10 174.50 3hd8 n GLY 21 N 5.45 -0.64 3.68 1.21 0.00 -0.49 -5.02 105.19 109.37 3hd8 n GLY 21 Ca 0.03 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 3hd8 n GLY 21 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hd8 n SER 22 N -3.47 1.96 0.00 1.61 7.64 -1.26 -4.52 113.62 115.58 3hd8 n SER 22 Ca 0.16 0.99 0.00 0.00 1.01 0.00 0.00 58.87 61.03 3hd8 n SER 22 Cb 0.58 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 3hd8 n SER 22 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hd8 n GLY 23 N 0.97 3.08 0.97 0.23 0.00 -1.26 -1.51 105.19 107.66 3hd8 n GLY 23 Ca 0.10 0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.36 3hd8 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hd8 n GLY 24 N 0.00 1.45 3.76 -0.02 0.00 -1.26 -4.89 105.19 104.23 3hd8 n GLY 24 Ca 0.00 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 3hd8 n GLY 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hd8 s ASN 25 N -1.05 7.28 0.01 1.61 3.84 -0.57 -0.79 114.94 125.27 3hd8 s ASN 25 Ca 0.36 1.52 -0.08 0.00 0.21 0.00 0.00 52.86 54.86 3hd8 s ASN 25 Cb 0.19 -2.48 0.00 0.00 -0.55 0.00 0.00 41.25 38.41 3hd8 s ASN 25 CO 0.25 0.11 0.17 -0.72 -2.79 0.00 0.00 177.10 174.11 3hd8 s TYR 26 N -0.56 0.04 0.10 0.43 -0.85 0.48 -1.40 117.35 115.59 3hd8 s TYR 26 Ca 0.37 -0.16 0.03 0.00 -0.52 0.00 0.00 57.07 56.79 3hd8 s TYR 26 Cb -0.22 -0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.05 3hd8 s TYR 26 CO 0.24 -0.34 -0.09 -1.54 -1.52 0.00 0.00 175.55 172.30 3hd8 s SER 27 N -1.62 1.37 -0.03 -0.18 1.04 -0.95 -1.38 113.70 111.96 3hd8 s SER 27 Ca -0.12 -0.89 0.01 0.00 0.48 0.00 0.00 55.95 55.43 3hd8 s SER 27 Cb -0.05 0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.12 3hd8 s SER 27 CO 0.00 -0.34 -0.02 -0.69 0.98 0.00 0.00 173.24 173.17 3hd8 s VAL 28 N -2.92 0.33 -0.04 5.02 1.01 -0.34 -0.89 120.40 122.57 3hd8 s VAL 28 Ca 0.09 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.03 3hd8 s VAL 28 Cb 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 3hd8 s VAL 28 CO -0.01 0.16 -0.06 0.20 0.00 0.00 0.00 175.10 175.39 3hd8 s ASN 29 N 0.72 4.73 -0.01 3.32 0.01 0.11 -0.50 114.94 123.32 3hd8 s ASN 29 Ca -0.08 -0.05 -0.10 0.00 -0.71 0.00 0.00 52.86 51.93 3hd8 s ASN 29 Cb -0.11 -1.18 0.01 0.00 0.41 0.00 0.00 41.25 40.38 3hd8 s ASN 29 CO -0.01 0.33 0.20 -1.66 -1.51 0.00 0.00 177.10 174.45 3hd8 s TRP 30 N -0.90 -0.05 -0.03 2.20 -2.14 1.00 -0.37 118.94 118.65 3hd8 s TRP 30 Ca 0.15 0.04 -0.13 0.00 2.66 0.00 0.00 56.10 58.82 3hd8 s TRP 30 Cb -0.11 0.01 0.02 0.00 -3.10 0.00 0.00 33.47 30.29 3hd8 s TRP 30 CO 0.04 -0.31 0.28 -1.54 -2.66 0.00 0.00 176.95 172.77 3hd8 s SER 31 N -1.25 -0.17 -1.38 -2.66 1.04 -0.55 -0.86 113.70 107.87 3hd8 s SER 31 Ca -0.13 0.12 -0.06 0.00 0.48 0.00 0.00 55.95 56.35 3hd8 s SER 31 Cb -0.06 0.34 0.03 0.00 0.10 0.00 0.00 66.02 66.43 3hd8 s SER 31 CO 0.02 -0.38 0.91 -3.20 0.98 0.00 0.00 173.24 171.58 3hd8 n ASN 32 N 1.57 -3.32 -4.92 7.02 5.15 -1.11 -1.06 115.26 118.59 3hd8 n ASN 32 Ca -0.20 -0.74 -0.26 0.00 -0.60 0.00 0.00 54.58 52.78 3hd8 n ASN 32 Cb 0.56 -4.29 0.00 0.00 -0.53 0.00 0.00 39.78 35.52 3hd8 n ASN 32 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3hd8 s THR 33 N -3.45 4.62 0.00 -0.44 -4.23 -0.88 -2.86 115.64 108.39 3hd8 s THR 33 Ca 0.32 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.83 3hd8 s THR 33 Cb -0.15 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 69.94 3hd8 s THR 33 CO 0.79 -0.69 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 3hd8 n GLY 34 N -2.24 0.02 3.64 3.99 0.00 -1.21 -3.17 105.19 106.22 3hd8 n GLY 34 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3hd8 n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hd8 s ASN 35 N -1.89 -0.90 0.09 1.61 2.47 -1.26 -1.64 114.94 113.41 3hd8 s ASN 35 Ca 0.00 1.44 -0.09 0.00 0.42 0.00 0.00 52.86 54.63 3hd8 s ASN 35 Cb 0.00 1.40 -0.00 0.00 -1.45 0.00 0.00 41.25 41.20 3hd8 s ASN 35 CO 0.00 -0.23 0.19 0.72 -3.72 0.00 0.00 177.10 174.06 3hd8 s PHE 36 N 1.65 0.15 -0.05 0.43 -0.12 -1.03 -0.63 117.98 118.37 3hd8 s PHE 36 Ca -0.10 -0.57 -0.02 0.00 -0.05 0.00 0.00 56.93 56.20 3hd8 s PHE 36 Cb -0.05 -0.06 0.04 0.00 -0.63 0.00 0.00 43.02 42.32 3hd8 s PHE 36 CO -0.19 -0.54 0.10 0.08 -0.05 0.00 0.00 175.22 174.62 3hd8 s VAL 37 N -3.79 -0.09 -0.03 -2.49 1.01 -0.10 -1.59 120.40 113.32 3hd8 s VAL 37 Ca 0.04 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.29 3hd8 s VAL 37 Cb 0.05 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.26 3hd8 s VAL 37 CO -0.11 0.10 -0.06 -0.69 0.00 0.00 0.00 175.10 174.35 3hd8 s VAL 38 N 1.42 0.57 0.16 2.92 1.01 0.48 -1.51 120.40 125.45 3hd8 s VAL 38 Ca -0.06 -0.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.48 3hd8 s VAL 38 Cb -0.12 -0.55 0.08 0.00 0.00 0.00 0.00 36.38 35.79 3hd8 s VAL 38 CO -0.05 0.21 1.06 -0.83 0.00 0.00 0.00 175.10 175.49 3hd8 s GLY 39 N 0.48 0.04 0.02 4.51 0.00 -0.41 -0.23 107.32 111.73 3hd8 s GLY 39 Ca -0.06 -0.22 0.04 0.00 0.00 0.00 0.00 44.72 44.47 3hd8 s GLY 39 CO 0.00 2.30 -0.11 0.54 0.00 0.00 0.00 173.10 175.83 3hd8 s LYS 40 N -2.29 0.83 0.00 2.90 1.02 -1.13 -1.49 119.74 119.59 3hd8 s LYS 40 Ca 0.21 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.64 3hd8 s LYS 40 Cb -0.02 -0.80 0.00 0.00 -0.52 0.00 0.00 37.83 36.49 3hd8 s LYS 40 CO 0.04 0.21 0.00 0.41 -0.92 0.00 0.00 175.35 175.09 3hd8 n GLY 41 N 2.33 0.96 3.04 -3.33 0.00 -0.64 -0.51 105.19 107.04 3hd8 n GLY 41 Ca -0.16 0.36 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 3hd8 n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hd8 s TRP 42 N 2.14 0.87 0.36 1.61 0.51 0.11 -1.21 118.94 123.34 3hd8 s TRP 42 Ca 0.00 -0.18 0.06 0.00 -2.12 0.00 0.00 56.10 53.86 3hd8 s TRP 42 Cb 0.00 -0.56 0.74 0.00 -0.81 0.00 0.00 33.47 32.84 3hd8 s TRP 42 CO 0.00 -0.01 1.94 1.15 -0.51 0.00 0.00 176.95 179.52 3hd8 h THR 43 N 4.88 1.00 -3.69 2.01 2.02 -1.85 -0.94 112.91 116.33 3hd8 h THR 43 Ca -0.31 -0.26 -0.66 0.00 0.77 0.00 0.00 66.41 65.95 3hd8 h THR 43 Cb 1.18 0.17 -0.37 0.00 -1.74 0.00 0.00 68.15 67.39 3hd8 h THR 43 CO 0.49 0.14 -0.81 -0.89 0.37 0.00 0.00 175.52 174.82 3hd8 s THR 44 N -5.69 2.01 0.89 3.16 2.01 -1.26 -2.63 115.64 114.13 3hd8 s THR 44 Ca -0.10 -1.43 -0.12 0.00 0.31 0.00 0.00 61.69 60.35 3hd8 s THR 44 Cb 0.20 -2.10 0.12 0.00 0.01 0.00 0.00 72.50 70.73 3hd8 s THR 44 CO 0.78 0.05 1.10 -0.83 -0.69 0.00 0.00 174.62 175.02 3hd8 s GLY 45 N 1.20 1.60 -0.08 4.40 0.00 0.25 -4.87 107.32 109.83 3hd8 s GLY 45 Ca -0.06 -0.21 -0.10 0.00 0.00 0.00 0.00 44.72 44.34 3hd8 s GLY 45 CO -0.06 0.29 0.27 -0.45 0.00 0.00 0.00 173.10 173.14 3hd8 s SER 46 N -3.64 -0.24 0.00 1.64 0.15 -1.26 -4.77 113.70 105.58 3hd8 s SER 46 Ca 0.63 0.39 0.26 0.00 0.70 0.00 0.00 55.95 57.93 3hd8 s SER 46 Cb -0.17 0.48 1.37 0.00 -1.71 0.00 0.00 66.02 66.00 3hd8 s SER 46 CO 0.56 -0.19 1.88 -0.81 1.20 0.00 0.00 173.24 175.88 3hd8 n PRO 47 N 2.48 0.49 0.00 5.44 -0.04 -1.26 -2.98 135.00 139.13 3hd8 n PRO 47 Ca -0.15 0.03 0.09 0.00 -0.04 0.00 0.00 63.50 63.43 3hd8 n PRO 47 Cb 0.57 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 3hd8 n PRO 47 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hd8 n PHE 48 N -1.21 0.00 -2.02 0.54 3.72 -1.26 -3.37 117.46 113.86 3hd8 n PHE 48 Ca 0.14 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.13 3hd8 n PHE 48 Cb 0.17 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.69 3hd8 n PHE 48 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3hd8 s ARG 49 N -2.12 4.27 -0.27 -1.08 3.52 -1.16 -4.86 118.95 117.27 3hd8 s ARG 49 Ca 0.14 2.31 -0.06 0.00 -0.13 0.00 0.00 55.73 57.99 3hd8 s ARG 49 Cb 0.14 -3.08 -0.00 0.00 -1.56 0.00 0.00 34.95 30.44 3hd8 s ARG 49 CO 0.48 -0.37 0.04 0.99 -0.81 0.00 0.00 175.30 175.63 3hd8 s THR 50 N -0.44 3.86 -0.17 4.11 2.01 -1.26 -2.89 115.64 120.86 3hd8 s THR 50 Ca 0.56 -0.55 -0.15 0.00 0.31 0.00 0.00 61.69 61.86 3hd8 s THR 50 Cb -0.42 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 3hd8 s THR 50 CO 0.48 0.22 0.36 -0.63 -0.69 0.00 0.00 174.62 174.36 3hd8 s ILE 51 N 1.51 5.25 -0.10 1.82 1.09 -0.75 -4.95 121.20 125.07 3hd8 s ILE 51 Ca 0.04 0.67 0.02 0.00 -1.10 0.00 0.00 60.65 60.27 3hd8 s ILE 51 Cb -0.16 -3.70 -0.02 0.00 -1.06 0.00 0.00 42.46 37.53 3hd8 s ILE 51 CO 0.01 0.33 -0.15 0.20 -0.10 0.00 0.00 174.94 175.22 3hd8 s ASN 52 N 0.72 3.85 0.05 3.58 0.01 -0.08 -0.70 114.94 122.37 3hd8 s ASN 52 Ca 0.19 -0.34 -0.04 0.00 -0.71 0.00 0.00 52.86 51.96 3hd8 s ASN 52 Cb -0.14 -1.37 -0.02 0.00 0.41 0.00 0.00 41.25 40.13 3hd8 s ASN 52 CO 0.06 0.21 0.06 -0.72 -1.51 0.00 0.00 177.10 175.20 3hd8 s TYR 53 N 0.08 0.29 -0.17 2.20 1.13 -0.28 -0.24 117.35 120.37 3hd8 s TYR 53 Ca -0.07 -0.68 -0.01 0.00 -1.41 0.00 0.00 57.07 54.90 3hd8 s TYR 53 Cb -0.15 -0.21 0.05 0.00 -1.10 0.00 0.00 41.96 40.55 3hd8 s TYR 53 CO 0.05 -0.37 -0.01 1.21 -2.51 0.00 0.00 175.55 173.91 3hd8 s ASN 54 N -2.38 2.74 -0.82 -0.18 3.04 0.70 0.70 114.94 118.74 3hd8 s ASN 54 Ca -0.01 -0.67 -0.14 0.00 0.04 0.00 0.00 52.86 52.07 3hd8 s ASN 54 Cb 0.01 -0.73 0.22 0.00 -1.54 0.00 0.00 41.25 39.21 3hd8 s ASN 54 CO -0.07 -0.24 0.76 0.00 -3.04 0.00 0.00 177.10 174.51 3hd8 s ALA 55 N 1.76 4.07 0.39 1.71 0.00 -1.26 -0.42 121.76 128.01 3hd8 s ALA 55 Ca 0.00 -3.30 0.08 0.00 0.00 0.00 0.00 51.96 48.73 3hd8 s ALA 55 Cb -0.16 -3.51 0.79 0.00 0.00 0.00 0.00 23.12 20.25 3hd8 s ALA 55 CO -0.07 -2.27 1.97 0.78 0.00 0.00 0.00 175.76 176.17 3hd8 h GLY 56 N 7.80 0.45 -6.04 0.00 0.00 -1.04 -1.14 103.07 103.10 3hd8 h GLY 56 Ca 0.10 -0.22 -0.51 0.00 0.00 0.00 0.00 47.33 46.69 3hd8 h GLY 56 CO 0.76 0.21 -0.81 0.14 0.00 0.00 0.00 176.54 176.84 3hd8 s VAL 57 N -5.10 1.09 -0.31 4.60 1.01 -0.95 -4.72 120.40 116.01 3hd8 s VAL 57 Ca -0.07 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 3hd8 s VAL 57 Cb 0.16 -1.02 0.10 0.00 0.00 0.00 0.00 36.38 35.62 3hd8 s VAL 57 CO 0.74 0.35 0.11 0.86 0.00 0.00 0.00 175.10 177.16 3hd8 s TRP 58 N 0.89 1.54 -0.40 5.22 -0.11 -1.26 -1.32 118.94 123.50 3hd8 s TRP 58 Ca -0.10 -1.66 0.08 0.00 1.22 0.00 0.00 56.10 55.64 3hd8 s TRP 58 Cb -0.15 -1.62 0.24 0.00 -1.50 0.00 0.00 33.47 30.45 3hd8 s TRP 58 CO 0.01 -0.87 0.51 0.00 -4.62 0.00 0.00 176.95 171.99 3hd8 n ALA 59 N 4.85 2.53 -2.02 5.86 0.00 -0.51 -5.05 120.51 126.16 3hd8 n ALA 59 Ca -0.02 -3.43 -0.35 0.00 0.00 0.00 0.00 53.44 49.64 3hd8 n ALA 59 Cb 0.42 -0.81 -0.06 0.00 0.00 0.00 0.00 19.45 19.00 3hd8 n ALA 59 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hd8 s PRO 60 N -1.14 4.27 -0.45 0.00 0.04 -1.26 -1.42 135.00 135.04 3hd8 s PRO 60 Ca 0.35 0.94 0.03 0.00 0.04 0.00 0.00 61.00 62.36 3hd8 s PRO 60 Cb 0.16 -2.73 0.12 0.00 0.04 0.00 0.00 34.50 32.10 3hd8 s PRO 60 CO -0.11 0.30 0.20 -0.80 0.04 0.00 0.00 177.00 176.63 3hd8 s ASN 61 N -1.80 4.17 0.00 6.66 0.01 -0.34 -4.93 114.94 118.71 3hd8 s ASN 61 Ca 0.48 -2.65 0.00 0.00 -0.71 0.00 0.00 52.86 49.98 3hd8 s ASN 61 Cb -0.15 -1.40 0.00 0.00 0.41 0.00 0.00 41.25 40.11 3hd8 s ASN 61 CO 0.20 -0.28 0.00 0.61 -1.51 0.00 0.00 177.10 176.12 3hd8 n GLY 62 N 3.57 -0.29 3.73 0.66 0.00 -1.26 -2.09 105.19 109.51 3hd8 n GLY 62 Ca 0.05 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 3hd8 n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hd8 s ASN 63 N -4.00 7.01 -0.16 1.61 0.01 -1.17 -1.77 114.94 116.47 3hd8 s ASN 63 Ca 0.00 2.28 -0.34 0.00 -0.71 0.00 0.00 52.86 54.09 3hd8 s ASN 63 Cb 0.00 -2.60 0.13 0.00 0.41 0.00 0.00 41.25 39.19 3hd8 s ASN 63 CO 0.00 -0.45 1.17 -0.83 -1.51 0.00 0.00 177.10 175.49 3hd8 s GLY 64 N 0.31 -0.32 -0.07 0.66 0.00 -1.26 -0.87 107.32 105.77 3hd8 s GLY 64 Ca 0.55 1.50 -0.05 0.00 0.00 0.00 0.00 44.72 46.72 3hd8 s GLY 64 CO 0.36 0.50 0.17 -0.19 0.00 0.00 0.00 173.10 173.94 3hd8 s TYR 65 N -2.51 -0.20 -0.34 1.90 2.02 0.59 -1.26 117.35 117.56 3hd8 s TYR 65 Ca 0.09 0.52 -0.05 0.00 -0.37 0.00 0.00 57.07 57.27 3hd8 s TYR 65 Cb -0.01 0.00 0.05 0.00 -0.40 0.00 0.00 41.96 41.61 3hd8 s TYR 65 CO -0.05 -0.15 0.09 -1.17 -1.57 0.00 0.00 175.55 172.70 3hd8 s LEU 66 N 0.73 4.32 -0.16 -1.29 2.96 -0.07 -1.11 118.68 124.06 3hd8 s LEU 66 Ca -0.05 -1.31 -0.21 0.00 -0.22 0.00 0.00 54.13 52.34 3hd8 s LEU 66 Cb -0.07 -1.82 0.05 0.00 0.50 0.00 0.00 46.19 44.86 3hd8 s LEU 66 CO -0.04 -0.34 0.55 0.28 -1.32 0.00 0.00 176.35 175.48 3hd8 s THR 67 N 1.32 0.01 0.06 3.68 -1.32 0.15 -1.57 115.64 117.98 3hd8 s THR 67 Ca -0.02 -0.06 -0.26 0.00 -1.21 0.00 0.00 61.69 60.15 3hd8 s THR 67 Cb -0.20 -0.79 -0.06 0.00 -1.51 0.00 0.00 72.50 69.94 3hd8 s THR 67 CO 0.01 -0.03 0.80 -0.22 -2.21 0.00 0.00 174.62 172.96 3hd8 s LEU 68 N -0.16 4.47 0.19 9.08 2.96 0.44 0.14 118.68 135.79 3hd8 s LEU 68 Ca -0.04 1.52 -0.18 0.00 -0.22 0.00 0.00 54.13 55.21 3hd8 s LEU 68 Cb -0.03 -3.30 0.03 0.00 0.50 0.00 0.00 46.19 43.39 3hd8 s LEU 68 CO 0.03 0.01 0.53 -0.72 -1.32 0.00 0.00 176.35 174.88 3hd8 s TYR 69 N -0.11 -0.19 -0.05 5.38 -0.85 -0.14 0.00 117.35 121.40 3hd8 s TYR 69 Ca 0.40 -0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.81 3hd8 s TYR 69 Cb -0.21 0.42 0.00 0.00 0.38 0.00 0.00 41.96 42.55 3hd8 s TYR 69 CO 0.24 -0.90 0.00 0.41 -1.52 0.00 0.00 175.55 173.78 3hd8 n GLY 70 N -0.34 -1.13 3.20 5.49 0.00 -0.77 -0.20 105.19 111.44 3hd8 n GLY 70 Ca -0.11 -0.96 -0.17 0.00 0.00 0.00 0.00 46.02 44.77 3hd8 n GLY 70 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hd8 s TRP 71 N -2.24 1.27 0.30 1.61 0.52 -0.93 -0.72 118.94 118.74 3hd8 s TRP 71 Ca 0.00 -0.55 0.11 0.00 0.02 0.00 0.00 56.10 55.68 3hd8 s TRP 71 Cb 0.00 -0.68 -0.05 0.00 -1.15 0.00 0.00 33.47 31.59 3hd8 s TRP 71 CO 0.00 0.09 -0.10 0.95 0.02 0.00 0.00 176.95 177.90 3hd8 s THR 72 N -1.93 2.68 0.32 2.01 -4.23 0.15 -1.85 115.64 112.77 3hd8 s THR 72 Ca 0.05 -2.19 0.09 0.00 -1.18 0.00 0.00 61.69 58.45 3hd8 s THR 72 Cb -0.06 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 3hd8 s THR 72 CO 0.02 -0.33 0.07 -0.13 -0.54 0.00 0.00 174.62 173.71 3hd8 s ARG 73 N -3.60 2.29 -0.85 3.99 0.52 0.42 -1.58 118.95 120.15 3hd8 s ARG 73 Ca 0.32 -1.54 -0.04 0.00 -0.52 0.00 0.00 55.73 53.94 3hd8 s ARG 73 Cb -0.03 -2.12 -0.05 0.00 0.52 0.00 0.00 34.95 33.27 3hd8 s ARG 73 CO 0.17 0.20 0.75 0.43 0.02 0.00 0.00 175.30 176.88 3hd8 n SER 74 N -1.03 -6.32 -4.68 0.23 7.64 -1.26 -2.23 113.62 105.97 3hd8 n SER 74 Ca -0.04 -0.48 -0.26 0.00 1.01 0.00 0.00 58.87 59.10 3hd8 n SER 74 Cb 0.61 -4.66 0.10 0.00 -1.01 0.00 0.00 64.21 59.25 3hd8 n SER 74 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3hd8 s PRO 75 N -3.91 1.72 -0.25 1.43 0.05 -1.26 -1.67 135.00 131.11 3hd8 s PRO 75 Ca 0.30 -0.51 -0.29 0.00 0.05 0.00 0.00 61.00 60.54 3hd8 s PRO 75 Cb -0.04 -2.14 -0.01 0.00 0.05 0.00 0.00 34.50 32.36 3hd8 s PRO 75 CO 0.65 -1.55 1.38 -1.17 0.05 0.00 0.00 177.00 176.36 3hd8 s LEU 76 N -5.36 3.95 -0.03 -3.56 2.96 -1.26 -3.95 118.68 111.43 3hd8 s LEU 76 Ca 0.65 1.42 -0.02 0.00 -0.22 0.00 0.00 54.13 55.96 3hd8 s LEU 76 Cb -0.08 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.09 3hd8 s LEU 76 CO 0.46 -1.06 0.08 -0.63 -1.32 0.00 0.00 176.35 173.89 3hd8 s ILE 77 N 4.40 -0.02 -0.11 6.68 -1.09 -0.61 -4.13 121.20 126.32 3hd8 s ILE 77 Ca 0.60 0.06 -0.03 0.00 -2.23 0.00 0.00 60.65 59.04 3hd8 s ILE 77 Cb -0.20 -0.13 -0.03 0.00 -1.58 0.00 0.00 42.46 40.51 3hd8 s ILE 77 CO 0.23 0.02 0.03 -0.70 -1.23 0.00 0.00 174.94 173.30 3hd8 s GLU 78 N 0.35 3.20 0.11 2.79 2.12 -1.09 -0.68 118.70 125.50 3hd8 s GLU 78 Ca -0.03 -0.35 0.03 0.00 0.36 0.00 0.00 54.97 54.98 3hd8 s GLU 78 Cb -0.04 -2.91 -0.04 0.00 0.26 0.00 0.00 34.13 31.40 3hd8 s GLU 78 CO -0.01 0.65 -0.09 1.52 -0.54 0.00 0.00 175.26 176.79 3hd8 s TYR 79 N -0.72 1.07 -0.05 5.30 -0.85 0.11 -0.88 117.35 121.32 3hd8 s TYR 79 Ca 0.12 -0.74 -0.05 0.00 -0.52 0.00 0.00 57.07 55.88 3hd8 s TYR 79 Cb -0.12 -0.58 0.01 0.00 0.38 0.00 0.00 41.96 41.66 3hd8 s TYR 79 CO 0.02 -0.01 0.14 0.71 -1.52 0.00 0.00 175.55 174.90 3hd8 s TYR 80 N -2.92 -0.15 -0.25 -3.49 1.51 -0.17 -1.85 117.35 110.03 3hd8 s TYR 80 Ca 0.10 0.37 0.01 0.00 -1.01 0.00 0.00 57.07 56.53 3hd8 s TYR 80 Cb 0.00 0.05 0.06 0.00 -0.11 0.00 0.00 41.96 41.97 3hd8 s TYR 80 CO -0.01 -0.08 -0.04 0.08 -1.11 0.00 0.00 175.55 174.38 3hd8 s VAL 81 N 0.02 1.57 -0.28 0.71 1.01 0.10 -0.28 120.40 123.25 3hd8 s VAL 81 Ca -0.01 -1.32 -0.08 0.00 0.00 0.00 0.00 61.98 60.57 3hd8 s VAL 81 Cb -0.01 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 3hd8 s VAL 81 CO 0.00 -0.16 0.11 -0.69 0.00 0.00 0.00 175.10 174.37 3hd8 s VAL 82 N 1.36 4.46 -0.15 2.92 1.01 0.93 -0.42 120.40 130.51 3hd8 s VAL 82 Ca -0.04 -0.29 0.12 0.00 0.00 0.00 0.00 61.98 61.77 3hd8 s VAL 82 Cb -0.19 -3.18 -0.23 0.00 0.00 0.00 0.00 36.38 32.78 3hd8 s VAL 82 CO -0.07 0.21 0.23 0.47 0.00 0.00 0.00 175.10 175.94 3hd8 n ASP 83 N 4.95 0.72 -3.78 3.32 9.92 -0.61 -0.97 116.55 130.10 3hd8 n ASP 83 Ca -0.15 0.12 -0.09 0.00 -0.53 0.00 0.00 54.79 54.14 3hd8 n ASP 83 Cb 0.50 0.33 -0.04 0.00 -0.64 0.00 0.00 41.12 41.27 3hd8 n ASP 83 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3hd8 s SER 84 N -5.94 -0.22 0.15 -2.24 0.15 -1.09 -1.08 113.70 103.43 3hd8 s SER 84 Ca -0.13 -0.55 -0.02 0.00 0.70 0.00 0.00 55.95 55.95 3hd8 s SER 84 Cb 0.07 0.57 0.01 0.00 -1.71 0.00 0.00 66.02 64.96 3hd8 s SER 84 CO 0.79 -1.05 0.24 -2.67 1.20 0.00 0.00 173.24 171.75 3hd8 n TRP 85 N -0.33 -1.05 0.00 3.44 2.14 -1.26 -0.89 117.44 119.49 3hd8 n TRP 85 Ca -0.09 -0.92 0.00 0.00 2.07 0.00 0.00 57.50 58.56 3hd8 n TRP 85 Cb 0.62 0.27 0.00 0.00 -0.81 0.00 0.00 31.31 31.39 3hd8 n TRP 85 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 3hd8 n GLY 86 N -0.23 0.55 0.13 -1.67 0.00 -0.39 -4.92 105.19 98.66 3hd8 n GLY 86 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 3hd8 n GLY 86 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hd8 h THR 87 N 0.00 1.49 -3.89 2.61 1.35 -1.65 -3.45 112.91 109.37 3hd8 h THR 87 Ca 0.00 -2.51 -0.54 0.00 -0.55 0.00 0.00 66.41 62.81 3hd8 h THR 87 Cb 0.00 2.37 -0.31 0.00 -1.73 0.00 0.00 68.15 68.48 3hd8 h THR 87 CO 0.00 0.73 -0.83 -0.31 -0.25 0.00 0.00 175.52 174.86 3hd8 s TYR 88 N -3.32 1.58 -0.27 4.73 1.51 -1.26 -5.05 117.35 115.27 3hd8 s TYR 88 Ca -0.03 -0.44 -0.17 0.00 -1.01 0.00 0.00 57.07 55.43 3hd8 s TYR 88 Cb 0.11 -1.07 -0.03 0.00 -0.11 0.00 0.00 41.96 40.86 3hd8 s TYR 88 CO 0.81 -0.15 0.46 0.50 -1.11 0.00 0.00 175.55 176.06 3hd8 s ARG 89 N 0.06 4.03 0.44 -0.62 3.52 -1.26 -4.82 118.95 120.30 3hd8 s ARG 89 Ca -0.04 0.18 -0.25 0.00 -0.13 0.00 0.00 55.73 55.50 3hd8 s ARG 89 Cb -0.11 -3.66 -0.08 0.00 -1.56 0.00 0.00 34.95 29.54 3hd8 s ARG 89 CO 0.02 -0.33 1.32 -1.25 -0.81 0.00 0.00 175.30 174.25 3hd8 s PRO 90 N 2.21 3.76 0.32 5.12 0.04 -1.26 -5.03 135.00 140.16 3hd8 s PRO 90 Ca 0.18 2.18 0.04 0.00 0.04 0.00 0.00 61.00 63.44 3hd8 s PRO 90 Cb -0.16 -2.62 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 3hd8 s PRO 90 CO 0.10 -0.67 0.34 0.25 0.04 0.00 0.00 177.00 177.05 3hd8 n THR 91 N -0.18 0.00 -1.86 1.26 -2.24 -1.26 -4.93 114.28 105.07 3hd8 n THR 91 Ca 0.05 -2.07 0.00 0.00 -2.27 0.00 0.00 64.05 59.76 3hd8 n THR 91 Cb 0.44 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 3hd8 n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hd8 n GLY 92 N -0.58 2.06 3.64 3.38 0.00 -1.26 -5.05 105.19 107.38 3hd8 n GLY 92 Ca 0.05 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 3hd8 n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hd8 s THR 93 N -1.54 3.75 -0.03 2.61 2.01 -0.64 -4.87 115.64 116.93 3hd8 s THR 93 Ca 0.00 0.87 -0.30 0.00 0.31 0.00 0.00 61.69 62.57 3hd8 s THR 93 Cb 0.00 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 3hd8 s THR 93 CO 0.00 -0.22 1.15 -0.47 -0.69 0.00 0.00 174.62 174.39 3hd8 s TYR 94 N 4.69 3.34 -0.18 4.92 5.04 -1.26 -1.41 117.35 132.50 3hd8 s TYR 94 Ca 0.69 1.34 0.10 0.00 -2.44 0.00 0.00 57.07 56.76 3hd8 s TYR 94 Cb -0.26 -3.36 -0.13 0.00 0.35 0.00 0.00 41.96 38.56 3hd8 s TYR 94 CO 0.27 -1.01 0.28 1.63 -1.34 0.00 0.00 175.55 175.38 3hd8 n LYS 95 N 4.76 1.68 -2.48 4.97 4.76 -0.06 -4.98 118.16 126.81 3hd8 n LYS 95 Ca 0.10 -0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 3hd8 n LYS 95 Cb 0.47 -1.12 0.00 0.00 -1.84 0.00 0.00 35.03 32.54 3hd8 n LYS 95 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hd8 n GLY 96 N 1.67 -1.37 3.18 0.72 0.00 -1.25 -4.97 105.19 103.17 3hd8 n GLY 96 Ca -0.00 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 3hd8 n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hd8 s THR 97 N -1.70 0.78 -0.03 2.61 -4.23 -1.26 -0.18 115.64 111.63 3hd8 s THR 97 Ca 0.00 -1.93 -0.03 0.00 -1.18 0.00 0.00 61.69 58.55 3hd8 s THR 97 Cb 0.00 -1.68 0.01 0.00 1.34 0.00 0.00 72.50 72.17 3hd8 s THR 97 CO 0.00 -0.84 0.08 0.54 -0.54 0.00 0.00 174.62 173.86 3hd8 s VAL 98 N -3.50 -0.01 -0.13 2.29 0.11 -0.29 -4.93 120.40 113.93 3hd8 s VAL 98 Ca 0.12 0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 59.09 3hd8 s VAL 98 Cb 0.04 -0.12 -0.05 0.00 -1.53 0.00 0.00 36.38 34.72 3hd8 s VAL 98 CO -0.04 0.01 0.22 -0.54 -3.33 0.00 0.00 175.10 171.43 3hd8 s LYS 99 N 0.18 3.93 -0.27 1.54 1.02 -1.26 -1.05 119.74 123.83 3hd8 s LYS 99 Ca -0.01 -0.01 -0.25 0.00 0.02 0.00 0.00 55.97 55.73 3hd8 s LYS 99 Cb -0.02 -3.32 0.08 0.00 -0.52 0.00 0.00 37.83 34.05 3hd8 s LYS 99 CO -0.01 0.49 0.78 0.45 -0.92 0.00 0.00 175.35 176.15 3hd8 s SER 100 N -0.26 -0.70 -1.53 2.83 0.15 -0.32 -5.00 113.70 108.87 3hd8 s SER 100 Ca 0.15 1.34 -0.14 0.00 0.70 0.00 0.00 55.95 58.00 3hd8 s SER 100 Cb -0.13 1.35 0.08 0.00 -1.71 0.00 0.00 66.02 65.62 3hd8 s SER 100 CO 0.04 -0.23 1.00 0.47 1.20 0.00 0.00 173.24 175.72 3hd8 n ASP 101 N 2.67 -4.93 0.00 5.45 8.00 -1.26 -1.37 116.55 125.11 3hd8 n ASP 101 Ca -0.14 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.59 3hd8 n ASP 101 Cb 0.55 -3.93 0.00 0.00 -0.02 0.00 0.00 41.12 37.73 3hd8 n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hd8 n GLY 102 N -1.71 1.20 3.47 0.44 0.00 -1.26 -4.93 105.19 102.39 3hd8 n GLY 102 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 3hd8 n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hd8 s GLY 103 N -1.91 1.70 -0.17 -0.02 0.00 -0.47 -5.12 107.32 101.34 3hd8 s GLY 103 Ca 0.00 -1.56 -0.05 0.00 0.00 0.00 0.00 44.72 43.11 3hd8 s GLY 103 CO 0.00 -1.57 0.01 -1.59 0.00 0.00 0.00 173.10 169.95 3hd8 s THR 104 N -1.58 4.31 -0.03 0.90 2.01 -1.26 -1.17 115.64 118.82 3hd8 s THR 104 Ca 0.21 -0.20 0.07 0.00 0.31 0.00 0.00 61.69 62.08 3hd8 s THR 104 Cb -0.09 -2.92 -0.02 0.00 0.01 0.00 0.00 72.50 69.49 3hd8 s THR 104 CO 0.11 0.47 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.95 3hd8 s TYR 105 N 0.40 2.31 0.24 4.92 1.51 -0.21 -0.01 117.35 126.52 3hd8 s TYR 105 Ca -0.01 -0.50 -0.14 0.00 -1.01 0.00 0.00 57.07 55.42 3hd8 s TYR 105 Cb -0.13 -1.49 -0.08 0.00 -0.11 0.00 0.00 41.96 40.14 3hd8 s TYR 105 CO 0.02 -0.08 0.63 -0.51 -1.11 0.00 0.00 175.55 174.50 3hd8 s ASP 106 N -0.50 6.77 -0.13 2.29 1.01 0.12 -1.14 116.67 125.09 3hd8 s ASP 106 Ca 0.07 1.13 -0.02 0.00 0.71 0.00 0.00 52.55 54.44 3hd8 s ASP 106 Cb -0.11 -2.31 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 3hd8 s ASP 106 CO 0.00 -0.07 -0.05 -0.63 0.21 0.00 0.00 175.17 174.63 3hd8 s ILE 107 N -1.77 3.77 0.06 0.77 1.01 0.75 -0.75 121.20 125.04 3hd8 s ILE 107 Ca 0.47 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.73 3hd8 s ILE 107 Cb -0.12 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 3hd8 s ILE 107 CO 0.19 0.52 -0.09 -0.31 0.00 0.00 0.00 174.94 175.26 3hd8 s TYR 108 N 0.06 0.81 0.23 3.97 2.02 0.27 -0.88 117.35 123.83 3hd8 s TYR 108 Ca -0.01 -0.57 0.11 0.00 -0.37 0.00 0.00 57.07 56.23 3hd8 s TYR 108 Cb -0.14 -0.47 -0.05 0.00 -0.40 0.00 0.00 41.96 40.90 3hd8 s TYR 108 CO 0.03 -0.07 -0.21 0.95 -1.57 0.00 0.00 175.55 174.68 3hd8 s THR 109 N -1.82 2.32 0.03 -0.71 -4.23 -0.50 -0.27 115.64 110.46 3hd8 s THR 109 Ca -0.04 -2.20 -0.15 0.00 -1.18 0.00 0.00 61.69 58.12 3hd8 s THR 109 Cb -0.07 -2.17 0.02 0.00 1.34 0.00 0.00 72.50 71.62 3hd8 s THR 109 CO -0.00 -0.29 0.32 -0.89 -0.54 0.00 0.00 174.62 173.22 3hd8 s THR 110 N -2.16 0.07 0.03 3.99 2.01 -1.03 -1.63 115.64 116.92 3hd8 s THR 110 Ca 0.24 -0.59 0.06 0.00 0.31 0.00 0.00 61.69 61.71 3hd8 s THR 110 Cb -0.06 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.58 3hd8 s THR 110 CO 0.12 -0.32 -0.17 -0.89 -0.69 0.00 0.00 174.62 172.67 3hd8 s THR 111 N -2.18 1.31 -0.12 -0.82 2.01 -1.26 -0.43 115.64 114.16 3hd8 s THR 111 Ca -0.08 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 60.97 3hd8 s THR 111 Cb -0.02 -1.15 0.00 0.00 0.01 0.00 0.00 72.50 71.34 3hd8 s THR 111 CO -0.01 0.14 -0.23 -0.13 -0.69 0.00 0.00 174.62 173.71 3hd8 s ARG 112 N -0.98 3.01 -0.02 4.92 1.81 -0.29 -4.98 118.95 122.43 3hd8 s ARG 112 Ca 0.04 -0.86 0.03 0.00 -1.72 0.00 0.00 55.73 53.22 3hd8 s ARG 112 Cb -0.08 -2.34 -0.03 0.00 -0.45 0.00 0.00 34.95 32.05 3hd8 s ARG 112 CO 0.01 0.09 -0.08 0.71 -0.68 0.00 0.00 175.30 175.35 3hd8 s TYR 113 N 0.56 2.87 -0.54 -0.53 2.02 -1.26 -1.57 117.35 118.90 3hd8 s TYR 113 Ca -0.14 -0.04 -0.08 0.00 -0.37 0.00 0.00 57.07 56.44 3hd8 s TYR 113 Cb -0.17 -1.63 0.01 0.00 -0.40 0.00 0.00 41.96 39.77 3hd8 s TYR 113 CO 0.04 0.34 0.15 0.09 -1.57 0.00 0.00 175.55 174.61 3hd8 n ASN 114 N 1.78 -0.76 -4.59 2.29 3.02 -0.84 -4.81 115.26 111.35 3hd8 n ASN 114 Ca -0.16 -0.52 -0.24 0.00 -0.03 0.00 0.00 54.58 53.63 3hd8 n ASN 114 Cb 0.53 -0.63 -0.08 0.00 -0.61 0.00 0.00 39.78 38.98 3hd8 n ASN 114 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hd8 s ALA 115 N -4.04 3.02 0.72 5.41 0.00 0.54 -4.38 121.76 123.04 3hd8 s ALA 115 Ca 0.11 -1.70 -0.16 0.00 0.00 0.00 0.00 51.96 50.22 3hd8 s ALA 115 Cb -0.06 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.46 3hd8 s ALA 115 CO 0.40 0.29 1.23 -2.30 0.00 0.00 0.00 175.76 175.37 3hd8 n PRO 116 N -0.72 0.68 -2.91 0.00 -0.02 -1.05 -0.64 135.00 130.34 3hd8 n PRO 116 Ca -0.07 0.30 -0.04 0.00 -2.02 0.00 0.00 63.50 61.67 3hd8 n PRO 116 Cb 0.59 -2.47 0.02 0.00 -0.02 0.00 0.00 33.50 31.62 3hd8 n PRO 116 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3hd8 n SER 117 N -2.43 -1.38 0.10 2.55 3.41 -0.32 -4.88 113.62 110.67 3hd8 n SER 117 Ca 0.15 -1.88 0.09 0.00 -0.26 0.00 0.00 58.87 56.97 3hd8 n SER 117 Cb 0.49 2.28 0.42 0.00 -0.26 0.00 0.00 64.21 67.14 3hd8 n SER 117 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3hd8 n ILE 118 N -0.40 1.12 1.00 -1.33 -5.35 -1.26 -3.14 119.36 110.00 3hd8 n ILE 118 Ca -0.04 0.46 0.10 0.00 -0.27 0.00 0.00 62.75 63.00 3hd8 n ILE 118 Cb 0.39 -1.40 -0.07 0.00 -1.74 0.00 0.00 39.64 36.82 3hd8 n ILE 118 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3hd8 n ASP 119 N -2.02 1.00 0.00 7.28 8.00 -1.26 -5.06 116.55 124.48 3hd8 n ASP 119 Ca 0.01 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.56 3hd8 n ASP 119 Cb 0.11 0.88 0.00 0.00 -0.02 0.00 0.00 41.12 42.10 3hd8 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hd8 n GLY 120 N 1.49 3.44 0.21 0.44 0.00 -1.19 -4.97 105.19 104.61 3hd8 n GLY 120 Ca 0.04 -1.35 0.09 0.00 0.00 0.00 0.00 46.02 44.81 3hd8 n GLY 120 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3hd8 h ASP 121 N 0.00 0.00 -2.97 1.61 3.58 -1.84 -0.84 116.42 115.96 3hd8 h ASP 121 Ca 0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 3hd8 h ASP 121 Cb 0.00 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 40.65 3hd8 h ASP 121 CO 0.00 0.21 -0.78 -0.13 -2.88 0.00 0.00 179.24 175.66 3hd8 s ARG 122 N -3.34 0.57 0.03 0.28 1.81 -1.24 -2.54 118.95 114.53 3hd8 s ARG 122 Ca 0.03 -1.03 -0.16 0.00 -1.72 0.00 0.00 55.73 52.86 3hd8 s ARG 122 Cb 0.08 -1.63 0.03 0.00 -0.45 0.00 0.00 34.95 32.98 3hd8 s ARG 122 CO 0.66 -1.05 0.35 0.99 -0.68 0.00 0.00 175.30 175.57 3hd8 s THR 123 N 1.56 0.07 -0.09 0.02 2.01 0.19 -4.72 115.64 114.68 3hd8 s THR 123 Ca 0.12 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.59 3hd8 s THR 123 Cb -0.19 -0.90 0.01 0.00 0.01 0.00 0.00 72.50 71.44 3hd8 s THR 123 CO -0.22 -0.30 -0.16 -0.89 -0.69 0.00 0.00 174.62 172.35 3hd8 s THR 124 N -2.30 1.47 0.16 -0.82 2.01 -1.26 -0.34 115.64 114.56 3hd8 s THR 124 Ca -0.07 -0.66 -0.24 0.00 0.31 0.00 0.00 61.69 61.04 3hd8 s THR 124 Cb -0.01 -1.32 0.06 0.00 0.01 0.00 0.00 72.50 71.24 3hd8 s THR 124 CO -0.01 0.43 0.71 0.72 -0.69 0.00 0.00 174.62 175.78 3hd8 s PHE 125 N 0.69 -0.39 -0.05 4.92 -0.12 -0.61 -4.94 117.98 117.49 3hd8 s PHE 125 Ca -0.13 0.12 -0.02 0.00 -0.05 0.00 0.00 56.93 56.84 3hd8 s PHE 125 Cb -0.16 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 3hd8 s PHE 125 CO 0.03 -0.89 0.08 0.99 -0.05 0.00 0.00 175.22 175.38 3hd8 s THR 126 N -3.64 4.83 -0.09 -4.49 2.01 -1.26 -1.14 115.64 111.86 3hd8 s THR 126 Ca 0.05 -0.22 -0.02 0.00 0.31 0.00 0.00 61.69 61.81 3hd8 s THR 126 Cb -0.02 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.31 3hd8 s THR 126 CO -0.06 0.47 0.00 -1.10 -0.69 0.00 0.00 174.62 173.24 3hd8 s GLN 127 N -1.38 3.01 -0.07 4.92 -0.21 0.43 -2.68 119.66 123.68 3hd8 s GLN 127 Ca 0.19 -0.41 0.03 0.00 0.02 0.00 0.00 55.36 55.19 3hd8 s GLN 127 Cb -0.12 -2.80 -0.02 0.00 1.00 0.00 0.00 33.01 31.07 3hd8 s GLN 127 CO 0.09 0.69 -0.14 0.71 -2.12 0.00 0.00 175.29 174.52 3hd8 s TYR 128 N -0.85 2.73 -0.01 0.91 2.02 -0.06 -2.46 117.35 119.63 3hd8 s TYR 128 Ca 0.13 -0.27 0.03 0.00 -0.37 0.00 0.00 57.07 56.59 3hd8 s TYR 128 Cb -0.11 -1.68 -0.01 0.00 -0.40 0.00 0.00 41.96 39.76 3hd8 s TYR 128 CO 0.02 0.10 -0.09 -1.58 -1.57 0.00 0.00 175.55 172.43 3hd8 s TRP 129 N -0.48 0.84 -0.19 2.71 0.52 0.63 -1.00 118.94 121.97 3hd8 s TRP 129 Ca 0.06 -0.16 -0.03 0.00 0.02 0.00 0.00 56.10 55.98 3hd8 s TRP 129 Cb -0.12 -0.54 -0.02 0.00 -1.15 0.00 0.00 33.47 31.65 3hd8 s TRP 129 CO 0.02 -0.01 -0.05 -1.12 0.02 0.00 0.00 176.95 175.80 3hd8 s SER 130 N -0.25 4.43 -0.12 2.95 0.01 0.61 -0.56 113.70 120.77 3hd8 s SER 130 Ca 0.03 -0.30 0.02 0.00 1.31 0.00 0.00 55.95 57.01 3hd8 s SER 130 Cb -0.04 -1.74 0.01 0.00 0.21 0.00 0.00 66.02 64.47 3hd8 s SER 130 CO -0.00 0.06 -0.16 -0.69 0.41 0.00 0.00 173.24 172.86 3hd8 s VAL 131 N 0.98 1.57 0.54 3.43 1.01 0.07 -0.05 120.40 127.95 3hd8 s VAL 131 Ca 0.00 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.09 3hd8 s VAL 131 Cb -0.15 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 3hd8 s VAL 131 CO 0.01 0.46 1.27 -0.60 0.00 0.00 0.00 175.10 176.23 3hd8 s ARG 132 N 1.02 3.22 0.37 2.72 3.52 -0.15 0.16 118.95 129.81 3hd8 s ARG 132 Ca -0.05 2.00 0.18 0.00 -0.13 0.00 0.00 55.73 57.73 3hd8 s ARG 132 Cb -0.15 -2.19 0.72 0.00 -1.56 0.00 0.00 34.95 31.77 3hd8 s ARG 132 CO -0.03 -1.05 1.76 1.96 -0.81 0.00 0.00 175.30 177.13 3hd8 h GLN 133 N 1.41 0.00 -4.37 5.12 4.20 -0.78 -3.44 115.11 117.25 3hd8 h GLN 133 Ca -0.50 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.02 3hd8 h GLN 133 Cb 1.29 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.92 3hd8 h GLN 133 CO 0.57 0.38 -0.57 -1.54 -0.67 0.00 0.00 178.83 177.00 3hd8 s SER 134 N -6.53 0.21 0.38 1.46 1.04 -1.26 -5.09 113.70 103.91 3hd8 s SER 134 Ca -0.01 -1.20 -0.26 0.00 0.48 0.00 0.00 55.95 54.95 3hd8 s SER 134 Cb 0.12 0.35 -0.09 0.00 0.10 0.00 0.00 66.02 66.50 3hd8 s SER 134 CO 0.69 -0.80 1.25 -0.54 0.98 0.00 0.00 173.24 174.82 3hd8 s LYS 135 N -4.07 4.09 0.11 4.02 1.02 -1.26 -4.92 119.74 118.74 3hd8 s LYS 135 Ca 0.27 2.05 -0.26 0.00 0.02 0.00 0.00 55.97 58.05 3hd8 s LYS 135 Cb 0.06 -2.81 -0.07 0.00 -0.52 0.00 0.00 37.83 34.50 3hd8 s LYS 135 CO 0.05 -0.35 0.82 0.50 -0.92 0.00 0.00 175.35 175.45 3hd8 s ARG 136 N -2.14 4.59 0.52 1.68 3.52 -0.24 -4.99 118.95 121.89 3hd8 s ARG 136 Ca 0.55 1.20 -0.22 0.00 -0.13 0.00 0.00 55.73 57.13 3hd8 s ARG 136 Cb -0.36 -3.33 -0.07 0.00 -1.56 0.00 0.00 34.95 29.64 3hd8 s ARG 136 CO 0.46 0.38 1.15 -2.30 -0.81 0.00 0.00 175.30 174.19 3hd8 n PRO 137 N 2.30 1.42 -4.47 5.12 -0.02 -1.26 -4.83 135.00 133.25 3hd8 n PRO 137 Ca -0.03 0.52 -0.24 0.00 -2.02 0.00 0.00 63.50 61.73 3hd8 n PRO 137 Cb 0.49 -2.31 -0.10 0.00 -0.02 0.00 0.00 33.50 31.57 3hd8 n PRO 137 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hd8 s THR 138 N -1.34 2.49 0.00 3.45 -4.23 -1.26 -4.80 115.64 109.95 3hd8 s THR 138 Ca 0.69 -2.33 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 3hd8 s THR 138 Cb -0.46 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 70.96 3hd8 s THR 138 CO 0.52 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 3hd8 n GLY 139 N -0.68 1.48 3.77 3.99 0.00 -0.43 -4.98 105.19 108.33 3hd8 n GLY 139 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 3hd8 n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hd8 s SER 140 N -0.84 4.68 0.29 1.61 0.01 -1.26 -4.77 113.70 113.41 3hd8 s SER 140 Ca 0.00 -0.86 -0.30 0.00 1.31 0.00 0.00 55.95 56.10 3hd8 s SER 140 Cb 0.00 -0.62 -0.11 0.00 0.21 0.00 0.00 66.02 65.50 3hd8 s SER 140 CO 0.00 -0.45 1.49 0.20 0.41 0.00 0.00 173.24 174.89 3hd8 s ASN 141 N -3.92 6.52 0.01 2.44 0.01 -1.26 -4.41 114.94 114.33 3hd8 s ASN 141 Ca 0.41 2.82 0.01 0.00 -0.71 0.00 0.00 52.86 55.39 3hd8 s ASN 141 Cb -0.01 -2.64 -0.01 0.00 0.41 0.00 0.00 41.25 39.01 3hd8 s ASN 141 CO 0.24 -0.78 -0.05 0.00 -1.51 0.00 0.00 177.10 174.99 3hd8 s ALA 142 N -0.27 0.39 -0.11 0.60 0.00 0.22 -4.97 121.76 117.60 3hd8 s ALA 142 Ca 0.59 -0.37 -0.03 0.00 0.00 0.00 0.00 51.96 52.15 3hd8 s ALA 142 Cb -0.44 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 3hd8 s ALA 142 CO 0.49 0.03 -0.01 0.99 0.00 0.00 0.00 175.76 177.26 3hd8 s THR 143 N -0.57 4.21 -0.31 0.00 2.01 -1.26 -1.12 115.64 118.60 3hd8 s THR 143 Ca -0.03 -0.27 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 3hd8 s THR 143 Cb -0.05 -2.80 0.05 0.00 0.01 0.00 0.00 72.50 69.71 3hd8 s THR 143 CO -0.00 0.56 0.02 -0.63 -0.69 0.00 0.00 174.62 173.88 3hd8 s ILE 144 N -0.44 3.11 -1.06 1.82 1.01 0.13 -4.76 121.20 121.01 3hd8 s ILE 144 Ca 0.08 -1.35 -0.18 0.00 0.00 0.00 0.00 60.65 59.20 3hd8 s ILE 144 Cb -0.12 -2.78 0.13 0.00 0.01 0.00 0.00 42.46 39.69 3hd8 s ILE 144 CO 0.02 -0.12 1.31 -0.89 0.00 0.00 0.00 174.94 175.26 3hd8 s THR 145 N 1.27 4.67 0.50 2.92 2.01 -1.26 -1.80 115.64 123.95 3hd8 s THR 145 Ca -0.05 -1.82 0.26 0.00 0.31 0.00 0.00 61.69 60.40 3hd8 s THR 145 Cb -0.20 -4.89 0.44 0.00 0.01 0.00 0.00 72.50 67.86 3hd8 s THR 145 CO -0.00 -1.64 1.89 0.15 -0.69 0.00 0.00 174.62 174.33 3hd8 h PHE 146 N 8.35 0.17 -0.83 4.92 3.57 -1.84 -1.64 116.94 129.65 3hd8 h PHE 146 Ca 0.23 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 3hd8 h PHE 146 Cb 0.96 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 3hd8 h PHE 146 CO 1.18 0.04 0.40 1.79 -2.23 0.00 0.00 178.31 179.50 3hd8 h THR 147 N 0.13 1.25 -1.00 4.41 1.35 -1.75 0.62 112.91 117.92 3hd8 h THR 147 Ca 0.42 -0.71 0.16 0.00 -0.55 0.00 0.00 66.41 65.73 3hd8 h THR 147 Cb 1.45 0.19 -0.09 0.00 -1.73 0.00 0.00 68.15 67.97 3hd8 h THR 147 CO -0.06 0.30 0.62 0.78 -0.25 0.00 0.00 175.52 176.91 3hd8 h ASN 148 N 1.17 0.82 -0.04 5.36 -0.26 -1.63 0.54 115.58 121.55 3hd8 h ASN 148 Ca 0.28 0.07 -0.04 0.00 -0.56 0.00 0.00 56.30 56.05 3hd8 h ASN 148 Cb 0.11 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.28 3hd8 h ASN 148 CO -0.04 0.36 -0.14 0.45 -1.06 0.00 0.00 177.43 177.01 3hd8 h HIS 149 N 0.84 0.22 -0.40 1.19 3.86 -1.01 -1.88 115.15 117.97 3hd8 h HIS 149 Ca 0.54 -0.09 0.05 0.00 -1.16 0.00 0.00 60.37 59.70 3hd8 h HIS 149 Cb 0.73 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 29.12 3hd8 h HIS 149 CO -0.00 0.76 0.15 0.28 0.86 0.00 0.00 177.93 179.98 3hd8 h VAL 150 N -0.38 0.89 -0.61 2.45 2.07 -0.75 -0.71 116.25 119.21 3hd8 h VAL 150 Ca -0.01 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 3hd8 h VAL 150 Cb 0.77 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3hd8 h VAL 150 CO 0.03 0.06 0.17 0.78 0.02 0.00 0.00 177.57 178.62 3hd8 h ASN 151 N 0.32 0.92 -0.73 0.57 2.35 0.15 -0.17 115.58 118.99 3hd8 h ASN 151 Ca 0.18 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 3hd8 h ASN 151 Cb 0.15 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 3hd8 h ASN 151 CO -0.18 0.90 0.39 0.00 -1.65 0.00 0.00 177.43 176.89 3hd8 h ALA 152 N 1.05 0.94 -0.36 -0.83 0.00 -1.14 0.16 119.26 119.07 3hd8 h ALA 152 Ca 0.20 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3hd8 h ALA 152 Cb 0.33 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hd8 h ALA 152 CO -0.00 0.46 -0.20 -1.49 0.00 0.00 0.00 179.25 178.02 3hd8 h TRP 153 N 1.01 0.90 -0.58 0.00 6.55 -0.81 -2.60 115.95 120.42 3hd8 h TRP 153 Ca 0.26 -0.23 0.02 0.00 0.95 0.00 0.00 58.89 59.89 3hd8 h TRP 153 Cb 0.06 -0.20 -0.04 0.00 -0.86 0.00 0.00 29.16 28.12 3hd8 h TRP 153 CO 0.00 0.98 0.36 -0.22 -1.05 0.00 0.00 178.44 178.50 3hd8 h LYS 154 N 0.56 0.69 0.00 0.49 3.64 -0.74 0.13 116.57 121.34 3hd8 h LYS 154 Ca 0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3hd8 h LYS 154 Cb 0.76 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3hd8 h LYS 154 CO 0.06 0.45 0.00 -1.13 -2.27 0.00 0.00 179.45 176.56 3hd8 n SER 155 N -4.74 0.00 -1.18 4.20 3.41 0.52 -1.90 113.62 113.92 3hd8 n SER 155 Ca 0.05 0.40 -0.03 0.00 -0.26 0.00 0.00 58.87 59.03 3hd8 n SER 155 Cb 0.07 -0.43 0.21 0.00 -0.26 0.00 0.00 64.21 63.81 3hd8 n SER 155 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3hd8 n HIS 156 N -1.43 1.20 -1.01 7.33 8.25 -0.63 -4.94 115.22 123.99 3hd8 n HIS 156 Ca 0.02 -1.47 -0.00 0.00 -0.26 0.00 0.00 57.72 56.00 3hd8 n HIS 156 Cb 0.06 -0.49 -0.00 0.00 1.12 0.00 0.00 29.99 30.68 3hd8 n HIS 156 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hd8 n GLY 157 N -1.00 0.33 3.23 -1.41 0.00 -0.80 -4.97 105.19 100.57 3hd8 n GLY 157 Ca 0.33 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 3hd8 n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hd8 s MET 158 N -0.90 3.22 -0.08 1.61 -1.94 0.37 -4.99 119.30 116.59 3hd8 s MET 158 Ca 0.00 -2.54 -0.09 0.00 -1.71 0.00 0.00 55.69 51.36 3hd8 s MET 158 Cb 0.00 -4.15 -0.04 0.00 2.01 0.00 0.00 34.83 32.64 3hd8 s MET 158 CO 0.00 -1.24 0.21 -0.80 -0.01 0.00 0.00 175.02 173.17 3hd8 s ASN 159 N 1.49 6.49 0.34 3.03 0.02 -1.26 -2.86 114.94 122.18 3hd8 s ASN 159 Ca 0.18 0.58 0.01 0.00 -1.02 0.00 0.00 52.86 52.61 3hd8 s ASN 159 Cb -0.14 -2.11 -0.03 0.00 0.02 0.00 0.00 41.25 38.99 3hd8 s ASN 159 CO -0.07 0.38 0.53 -0.76 0.02 0.00 0.00 177.10 177.20 3hd8 s LEU 160 N -1.11 4.04 0.80 0.60 1.43 -1.26 -4.95 118.68 118.23 3hd8 s LEU 160 Ca 0.18 0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 53.60 3hd8 s LEU 160 Cb -0.13 -3.28 0.07 0.00 0.03 0.00 0.00 46.19 42.88 3hd8 s LEU 160 CO 0.07 -0.27 1.09 -0.83 0.23 0.00 0.00 176.35 176.63 3hd8 s GLY 161 N -4.00 1.64 0.00 -3.19 0.00 -1.25 -4.74 107.32 95.78 3hd8 s GLY 161 Ca 0.40 -0.00 0.27 0.00 0.00 0.00 0.00 44.72 45.39 3hd8 s GLY 161 CO 0.35 0.41 1.69 -1.14 0.00 0.00 0.00 173.10 174.41 3hd8 n SER 162 N -3.54 0.26 -3.98 1.64 3.41 -0.67 -4.76 113.62 105.98 3hd8 n SER 162 Ca 0.08 0.09 -0.27 0.00 -0.26 0.00 0.00 58.87 58.51 3hd8 n SER 162 Cb 0.55 -0.13 -0.17 0.00 -0.26 0.00 0.00 64.21 64.20 3hd8 n SER 162 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hd8 s ASN 163 N -2.97 2.18 -0.17 4.04 3.04 -0.95 -5.01 114.94 115.10 3hd8 s ASN 163 Ca 0.13 -0.35 -0.12 0.00 0.04 0.00 0.00 52.86 52.56 3hd8 s ASN 163 Cb 0.18 -0.93 -0.05 0.00 -1.54 0.00 0.00 41.25 38.92 3hd8 s ASN 163 CO 0.60 -0.04 0.24 0.26 -3.04 0.00 0.00 177.10 175.12 3hd8 s TRP 164 N 1.26 3.46 0.00 0.43 0.52 -1.26 -0.43 118.94 122.91 3hd8 s TRP 164 Ca -0.03 0.52 0.00 0.00 0.02 0.00 0.00 56.10 56.61 3hd8 s TRP 164 Cb -0.14 -2.26 0.00 0.00 -1.15 0.00 0.00 33.47 29.92 3hd8 s TRP 164 CO -0.04 0.30 0.00 0.00 0.02 0.00 0.00 176.95 177.23 3hd8 n ALA 165 N 3.41 0.00 -1.45 0.98 0.00 -0.77 -4.45 120.51 118.23 3hd8 n ALA 165 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.00 3hd8 n ALA 165 Cb 0.52 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.07 3hd8 n ALA 165 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3hd8 s TYR 166 N 3.40 2.74 -0.26 0.00 -0.85 -1.08 0.88 117.35 122.17 3hd8 s TYR 166 Ca 0.00 1.26 -0.02 0.00 -0.52 0.00 0.00 57.07 57.79 3hd8 s TYR 166 Cb 0.00 -3.08 0.15 0.00 0.38 0.00 0.00 41.96 39.41 3hd8 s TYR 166 CO 0.00 -1.83 0.44 -1.14 -1.52 0.00 0.00 175.55 171.50 3hd8 s GLN 167 N -5.06 0.41 0.09 -3.49 0.74 -0.36 -2.20 119.66 109.80 3hd8 s GLN 167 Ca 0.61 0.60 0.06 0.00 0.05 0.00 0.00 55.36 56.68 3hd8 s GLN 167 Cb -0.15 -0.19 -0.03 0.00 1.10 0.00 0.00 33.01 33.73 3hd8 s GLN 167 CO 0.55 -0.69 -0.16 0.14 -0.55 0.00 0.00 175.29 174.58 3hd8 s VAL 168 N 2.63 1.30 -0.47 1.34 -7.23 0.72 0.09 120.40 118.77 3hd8 s VAL 168 Ca 0.14 -1.47 -0.22 0.00 -1.81 0.00 0.00 61.98 58.63 3hd8 s VAL 168 Cb -0.15 -1.29 0.03 0.00 0.56 0.00 0.00 36.38 35.53 3hd8 s VAL 168 CO -0.19 -0.24 0.74 -0.32 -0.31 0.00 0.00 175.10 174.78 3hd8 s MET 169 N -2.02 3.30 0.23 4.82 1.75 0.33 -0.97 119.30 126.74 3hd8 s MET 169 Ca 0.03 -0.36 0.10 0.00 -1.25 0.00 0.00 55.69 54.21 3hd8 s MET 169 Cb -0.09 -3.99 -0.04 0.00 2.84 0.00 0.00 34.83 33.55 3hd8 s MET 169 CO 0.03 -1.16 -0.10 0.00 -0.65 0.00 0.00 175.02 173.13 3hd8 s ALA 170 N 3.13 2.93 -0.23 4.11 0.00 0.37 -2.82 121.76 129.25 3hd8 s ALA 170 Ca 0.25 -1.65 -0.03 0.00 0.00 0.00 0.00 51.96 50.53 3hd8 s ALA 170 Cb -0.14 -0.59 -0.00 0.00 0.00 0.00 0.00 23.12 22.39 3hd8 s ALA 170 CO 0.19 0.35 -0.05 0.99 0.00 0.00 0.00 175.76 177.24 3hd8 s THR 171 N -2.11 3.27 -0.05 0.00 2.01 0.68 -0.67 115.64 118.78 3hd8 s THR 171 Ca 0.28 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.72 3hd8 s THR 171 Cb -0.07 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 3hd8 s THR 171 CO 0.16 0.39 -0.13 -0.70 -0.69 0.00 0.00 174.62 173.64 3hd8 s GLU 172 N 1.45 2.53 0.06 4.92 2.12 -0.27 -0.39 118.70 129.13 3hd8 s GLU 172 Ca 0.05 -0.68 0.04 0.00 0.36 0.00 0.00 54.97 54.74 3hd8 s GLU 172 Cb -0.15 -2.40 -0.03 0.00 0.26 0.00 0.00 34.13 31.81 3hd8 s GLU 172 CO -0.04 0.63 -0.13 0.20 -0.54 0.00 0.00 175.26 175.39 3hd8 s GLY 173 N -0.76 0.78 -0.26 -1.50 0.00 -0.62 -0.30 107.32 104.66 3hd8 s GLY 173 Ca 0.12 -0.94 -0.24 0.00 0.00 0.00 0.00 44.72 43.66 3hd8 s GLY 173 CO 0.01 -0.98 0.69 -0.47 0.00 0.00 0.00 173.10 172.35 3hd8 s TYR 174 N -1.31 -0.77 -1.23 1.90 5.04 -0.05 -2.48 117.35 118.46 3hd8 s TYR 174 Ca -0.04 1.86 -0.26 0.00 -2.44 0.00 0.00 57.07 56.19 3hd8 s TYR 174 Cb -0.10 0.27 0.04 0.00 0.35 0.00 0.00 41.96 42.52 3hd8 s TYR 174 CO 0.02 -0.37 0.49 1.04 -1.34 0.00 0.00 175.55 175.39 3hd8 n GLN 175 N 2.78 -0.40 -3.75 4.97 1.13 -0.65 -3.06 117.38 118.40 3hd8 n GLN 175 Ca -0.14 0.03 -0.05 0.00 -1.94 0.00 0.00 57.00 54.91 3hd8 n GLN 175 Cb 0.55 -2.52 -0.02 0.00 0.11 0.00 0.00 30.24 28.37 3hd8 n GLN 175 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3hd8 s SER 176 N -3.78 -0.21 0.37 1.08 1.04 -1.23 -4.28 113.70 106.69 3hd8 s SER 176 Ca 0.36 -0.40 0.06 0.00 0.48 0.00 0.00 55.95 56.45 3hd8 s SER 176 Cb -0.20 0.52 -0.07 0.00 0.10 0.00 0.00 66.02 66.37 3hd8 s SER 176 CO 0.93 -0.96 0.01 -0.44 0.98 0.00 0.00 173.24 173.77 3hd8 s SER 177 N -2.90 3.32 0.00 7.02 0.01 -0.89 -2.08 113.70 118.17 3hd8 s SER 177 Ca 0.11 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 56.03 3hd8 s SER 177 Cb -0.02 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.93 3hd8 s SER 177 CO 0.02 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.81 3hd8 n GLY 178 N -0.84 1.17 3.09 3.44 0.00 -0.04 -1.20 105.19 110.80 3hd8 n GLY 178 Ca -0.04 -1.03 -0.16 0.00 0.00 0.00 0.00 46.02 44.79 3hd8 n GLY 178 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hd8 s SER 179 N 0.00 1.19 -0.03 1.61 0.01 -0.51 -0.00 113.70 115.97 3hd8 s SER 179 Ca 0.00 -0.46 -0.05 0.00 1.31 0.00 0.00 55.95 56.75 3hd8 s SER 179 Cb 0.00 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.20 3hd8 s SER 179 CO 0.00 -0.07 0.11 -0.55 0.41 0.00 0.00 173.24 173.14 3hd8 s SER 180 N -1.24 -0.07 -0.17 2.44 0.15 0.34 -1.42 113.70 113.73 3hd8 s SER 180 Ca -0.03 0.10 -0.04 0.00 0.70 0.00 0.00 55.95 56.67 3hd8 s SER 180 Cb -0.08 0.23 0.08 0.00 -1.71 0.00 0.00 66.02 64.54 3hd8 s SER 180 CO 0.01 -0.13 0.27 0.21 1.20 0.00 0.00 173.24 174.80 3hd8 s ASN 181 N -0.35 0.66 -0.02 5.45 3.84 -0.44 -1.20 114.94 122.88 3hd8 s ASN 181 Ca -0.04 0.28 0.02 0.00 0.21 0.00 0.00 52.86 53.33 3hd8 s ASN 181 Cb -0.03 0.67 0.00 0.00 -0.55 0.00 0.00 41.25 41.34 3hd8 s ASN 181 CO 0.00 -0.28 -0.07 -0.69 -2.79 0.00 0.00 177.10 173.28 3hd8 s VAL 182 N 2.41 0.57 -0.14 -5.21 1.01 -0.48 -0.42 120.40 118.13 3hd8 s VAL 182 Ca 0.05 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.79 3hd8 s VAL 182 Cb -0.14 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.75 3hd8 s VAL 182 CO -0.11 0.18 -0.21 -0.89 0.00 0.00 0.00 175.10 174.07 3hd8 s THR 183 N 0.11 2.01 -0.07 3.92 2.01 0.44 -0.38 115.64 123.68 3hd8 s THR 183 Ca -0.01 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.05 3hd8 s THR 183 Cb -0.06 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 3hd8 s THR 183 CO -0.00 0.54 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.70 3hd8 s VAL 184 N 0.91 3.60 0.00 3.82 1.01 0.03 -0.21 120.40 129.56 3hd8 s VAL 184 Ca -0.05 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3hd8 s VAL 184 Cb -0.15 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.76 3hd8 s VAL 184 CO -0.04 0.59 0.10 -2.67 0.00 0.00 0.00 175.10 173.09