#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 4.84 -0.00 2.46 -4.23 -1.26 -4.97 115.64 112.47 3hd8 s THR 3 Ca 0.00 0.60 0.00 0.00 -1.18 0.00 0.00 61.69 61.11 3hd8 s THR 3 Cb 0.00 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.19 3hd8 s THR 3 CO 0.00 -0.21 0.58 -0.90 -0.54 0.00 0.00 174.62 173.55 3hd8 n ASP 4 N -0.50 0.28 -3.99 3.99 5.68 -0.53 -4.93 116.55 116.55 3hd8 n ASP 4 Ca 0.02 -1.17 -0.21 0.00 -0.50 0.00 0.00 54.79 52.93 3hd8 n ASP 4 Cb 0.53 -0.01 -0.16 0.00 -1.14 0.00 0.00 41.12 40.35 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 -0.15 1.04 -0.06 2.11 5.04 -0.89 -4.66 117.35 119.79 3hd8 s TYR 5 Ca 0.00 -0.29 0.02 0.00 -2.44 0.00 0.00 57.07 54.36 3hd8 s TYR 5 Cb 0.00 -0.77 0.01 0.00 0.35 0.00 0.00 41.96 41.56 3hd8 s TYR 5 CO 0.00 -0.15 -0.12 -0.46 -1.34 0.00 0.00 175.55 173.48 3hd8 s TRP 6 N 0.38 1.39 -0.10 4.97 -0.11 -1.26 -2.57 118.94 121.64 3hd8 s TRP 6 Ca -0.07 -0.49 0.01 0.00 1.22 0.00 0.00 56.10 56.78 3hd8 s TRP 6 Cb -0.11 -1.02 0.02 0.00 -1.50 0.00 0.00 33.47 30.86 3hd8 s TRP 6 CO 0.01 -0.25 -0.14 -1.14 -4.62 0.00 0.00 176.95 170.82 3hd8 s GLN 7 N 0.59 2.05 -0.29 5.86 0.74 -0.61 -4.99 119.66 123.00 3hd8 s GLN 7 Ca -0.13 -0.50 -0.01 0.00 0.05 0.00 0.00 55.36 54.78 3hd8 s GLN 7 Cb -0.15 -1.78 0.13 0.00 1.10 0.00 0.00 33.01 32.31 3hd8 s GLN 7 CO 0.03 -0.08 0.28 1.21 -0.55 0.00 0.00 175.29 176.18 3hd8 s ASN 8 N 1.05 1.80 -0.01 6.67 3.04 -1.25 -1.28 114.94 124.95 3hd8 s ASN 8 Ca -0.06 -0.79 0.05 0.00 0.04 0.00 0.00 52.86 52.10 3hd8 s ASN 8 Cb -0.15 0.45 -0.01 0.00 -1.54 0.00 0.00 41.25 40.00 3hd8 s ASN 8 CO -0.02 -0.39 -0.16 0.86 -3.04 0.00 0.00 177.10 174.35 3hd8 s TRP 9 N 2.34 1.44 0.06 0.43 -0.00 -0.85 -5.03 118.94 117.33 3hd8 s TRP 9 Ca 0.09 -0.28 0.01 0.00 -0.00 0.00 0.00 56.10 55.92 3hd8 s TRP 9 Cb -0.14 -0.93 -0.03 0.00 -0.00 0.00 0.00 33.47 32.37 3hd8 s TRP 9 CO -0.33 -0.03 -0.05 -0.08 -0.00 0.00 0.00 176.95 176.45 3hd8 s THR 10 N -0.34 0.43 -2.35 5.86 -1.32 -1.26 -0.97 115.64 115.70 3hd8 s THR 10 Ca 0.05 -1.47 0.21 0.00 -1.21 0.00 0.00 61.69 59.27 3hd8 s THR 10 Cb -0.07 -1.08 0.44 0.00 -1.51 0.00 0.00 72.50 70.29 3hd8 s THR 10 CO -0.00 -0.69 1.50 -0.90 -2.21 0.00 0.00 174.62 172.31 3hd8 n ASP 11 N 0.72 2.13 0.00 8.08 5.75 0.08 -4.91 116.55 128.40 3hd8 n ASP 11 Ca -0.18 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 3hd8 n ASP 11 Cb 0.58 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 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 1.22 1.27 3.72 6.12 0.00 -1.26 -4.98 105.19 111.29 3hd8 n GLY 12 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.28 2.49 0.00 -0.02 0.00 -1.26 -4.86 107.32 101.38 3hd8 s GLY 13 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.55 3hd8 s GLY 13 CO 0.00 1.98 0.00 0.61 0.00 0.00 0.00 173.10 175.69 3hd8 n GLY 14 N 3.07 -0.69 3.19 0.20 0.00 -1.20 -3.52 105.19 106.25 3hd8 n GLY 14 Ca 0.08 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 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 2.38 -0.32 -0.61 1.01 -0.47 -4.98 121.20 118.21 3hd8 s ILE 15 Ca 0.00 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.81 3hd8 s ILE 15 Cb 0.00 -2.00 0.10 0.00 0.01 0.00 0.00 42.46 40.56 3hd8 s ILE 15 CO 0.00 0.52 0.07 -0.69 0.00 0.00 0.00 174.94 174.84 3hd8 s VAL 16 N 1.07 1.51 -0.44 2.92 1.01 -1.26 -1.25 120.40 123.96 3hd8 s VAL 16 Ca -0.01 -1.78 -0.13 0.00 0.00 0.00 0.00 61.98 60.06 3hd8 s VAL 16 Cb -0.14 -2.10 0.06 0.00 0.00 0.00 0.00 36.38 34.20 3hd8 s VAL 16 CO -0.06 -0.60 0.33 0.20 0.00 0.00 0.00 175.10 174.98 3hd8 s ASN 17 N 1.30 5.97 -0.10 3.32 0.01 0.46 -4.98 114.94 120.92 3hd8 s ASN 17 Ca 0.09 -1.29 -0.01 0.00 -0.71 0.00 0.00 52.86 50.94 3hd8 s ASN 17 Cb -0.18 -2.12 -0.03 0.00 0.41 0.00 0.00 41.25 39.34 3hd8 s ASN 17 CO -0.17 -0.57 -0.07 0.00 -1.51 0.00 0.00 177.10 174.78 3hd8 s ALA 18 N 1.58 2.92 -0.13 0.60 0.00 -1.26 -0.69 121.76 124.78 3hd8 s ALA 18 Ca 0.04 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.15 3hd8 s ALA 18 Cb -0.23 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.59 3hd8 s ALA 18 CO 0.06 0.41 -0.21 0.08 0.00 0.00 0.00 175.76 176.09 3hd8 s VAL 19 N -0.26 1.99 -0.74 0.00 1.01 -0.33 -4.99 120.40 117.09 3hd8 s VAL 19 Ca 0.03 -0.95 -0.20 0.00 0.00 0.00 0.00 61.98 60.87 3hd8 s VAL 19 Cb -0.13 -1.76 0.11 0.00 0.00 0.00 0.00 36.38 34.60 3hd8 s VAL 19 CO 0.03 0.54 0.94 0.21 0.00 0.00 0.00 175.10 176.81 3hd8 s ASN 20 N 0.77 6.35 0.94 3.32 3.84 -1.26 -2.06 114.94 126.84 3hd8 s ASN 20 Ca -0.09 -1.52 -0.07 0.00 0.21 0.00 0.00 52.86 51.39 3hd8 s ASN 20 Cb -0.16 -2.37 0.11 0.00 -0.55 0.00 0.00 41.25 38.28 3hd8 s ASN 20 CO -0.00 -1.20 0.66 0.61 -2.79 0.00 0.00 177.10 174.38 3hd8 n GLY 21 N 5.31 -1.07 3.76 1.21 0.00 -0.15 -5.01 105.19 109.24 3hd8 n GLY 21 Ca 0.04 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 3hd8 n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hd8 s SER 22 N -3.44 5.83 1.16 1.61 0.01 -1.26 -4.59 113.70 113.03 3hd8 s SER 22 Ca 0.38 2.55 0.00 0.00 1.31 0.00 0.00 55.95 60.19 3hd8 s SER 22 Cb -0.01 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.60 3hd8 s SER 22 CO 0.26 -1.17 0.00 0.61 0.41 0.00 0.00 173.24 173.35 3hd8 n GLY 23 N 0.59 3.28 0.55 3.44 0.00 -1.26 -1.51 105.19 110.28 3hd8 n GLY 23 Ca 0.08 0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.21 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 0.40 3.78 -0.02 0.00 -1.25 -4.90 105.19 103.19 3hd8 n GLY 24 Ca 0.00 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.99 7.38 0.03 1.61 3.84 -0.57 -1.02 114.94 125.21 3hd8 s ASN 25 Ca 0.20 1.63 -0.12 0.00 0.21 0.00 0.00 52.86 54.78 3hd8 s ASN 25 Cb 0.10 -2.49 0.01 0.00 -0.55 0.00 0.00 41.25 38.32 3hd8 s ASN 25 CO 0.13 0.21 0.26 -0.72 -2.79 0.00 0.00 177.10 174.20 3hd8 s TYR 26 N -1.14 -0.06 0.08 0.43 -0.85 -0.06 -0.98 117.35 114.78 3hd8 s TYR 26 Ca 0.35 -0.06 0.02 0.00 -0.52 0.00 0.00 57.07 56.86 3hd8 s TYR 26 Cb -0.23 0.05 -0.04 0.00 0.38 0.00 0.00 41.96 42.12 3hd8 s TYR 26 CO 0.26 -0.45 -0.07 -1.54 -1.52 0.00 0.00 175.55 172.24 3hd8 s SER 27 N -1.91 1.01 -0.02 -0.18 1.04 -0.88 -1.41 113.70 111.36 3hd8 s SER 27 Ca -0.07 -0.88 -0.00 0.00 0.48 0.00 0.00 55.95 55.48 3hd8 s SER 27 Cb -0.02 0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.21 3hd8 s SER 27 CO -0.02 -0.40 0.03 -0.69 0.98 0.00 0.00 173.24 173.14 3hd8 s VAL 28 N -3.02 -0.04 -0.08 5.02 1.01 -0.13 -1.19 120.40 121.97 3hd8 s VAL 28 Ca 0.05 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.21 3hd8 s VAL 28 Cb 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 36.38 36.32 3hd8 s VAL 28 CO -0.04 0.06 -0.22 0.20 0.00 0.00 0.00 175.10 175.09 3hd8 s ASN 29 N 0.69 2.88 0.02 3.32 0.01 0.14 -0.25 114.94 121.75 3hd8 s ASN 29 Ca -0.06 -0.51 -0.07 0.00 -0.71 0.00 0.00 52.86 51.52 3hd8 s ASN 29 Cb -0.08 -1.18 -0.00 0.00 0.41 0.00 0.00 41.25 40.39 3hd8 s ASN 29 CO -0.02 0.16 0.12 -1.66 -1.51 0.00 0.00 177.10 174.19 3hd8 s TRP 30 N 0.26 0.11 -0.05 2.20 -2.14 0.16 -0.40 118.94 119.08 3hd8 s TRP 30 Ca -0.15 -0.31 -0.18 0.00 2.66 0.00 0.00 56.10 58.12 3hd8 s TRP 30 Cb -0.17 -0.09 0.04 0.00 -3.10 0.00 0.00 33.47 30.15 3hd8 s TRP 30 CO 0.07 -0.33 0.41 -1.54 -2.66 0.00 0.00 176.95 172.90 3hd8 s SER 31 N -1.74 -0.33 -1.32 -2.66 1.04 -0.38 -0.60 113.70 107.70 3hd8 s SER 31 Ca -0.10 0.35 -0.02 0.00 0.48 0.00 0.00 55.95 56.65 3hd8 s SER 31 Cb -0.05 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.54 3hd8 s SER 31 CO -0.01 -0.43 0.84 -3.20 0.98 0.00 0.00 173.24 171.41 3hd8 n ASN 32 N 1.45 -2.19 -4.92 7.02 5.15 -0.97 -1.37 115.26 119.43 3hd8 n ASN 32 Ca -0.20 -0.75 -0.26 0.00 -0.60 0.00 0.00 54.58 52.77 3hd8 n ASN 32 Cb 0.56 -4.35 -0.02 0.00 -0.53 0.00 0.00 39.78 35.45 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 -3.53 5.03 0.00 -0.44 -4.23 -0.54 -3.22 115.64 108.72 3hd8 s THR 33 Ca 0.13 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 3hd8 s THR 33 Cb -0.06 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 69.97 3hd8 s THR 33 CO 0.79 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 3hd8 n GLY 34 N -1.54 1.56 3.63 3.99 0.00 -1.23 -3.03 105.19 108.58 3hd8 n GLY 34 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.00 -0.93 0.10 1.61 2.47 -1.26 -1.30 114.94 114.63 3hd8 s ASN 35 Ca 0.00 1.51 -0.13 0.00 0.42 0.00 0.00 52.86 54.66 3hd8 s ASN 35 Cb 0.00 1.38 0.02 0.00 -1.45 0.00 0.00 41.25 41.20 3hd8 s ASN 35 CO 0.00 -0.24 0.30 0.72 -3.72 0.00 0.00 177.10 174.16 3hd8 s PHE 36 N 1.58 -0.04 -0.10 0.43 -0.12 -0.86 -0.74 117.98 118.13 3hd8 s PHE 36 Ca -0.10 -0.31 -0.04 0.00 -0.05 0.00 0.00 56.93 56.43 3hd8 s PHE 36 Cb -0.05 0.10 0.05 0.00 -0.63 0.00 0.00 43.02 42.49 3hd8 s PHE 36 CO -0.19 -0.61 0.22 0.08 -0.05 0.00 0.00 175.22 174.67 3hd8 s VAL 37 N -3.69 -0.15 -0.03 -2.49 1.01 -0.14 -2.04 120.40 112.88 3hd8 s VAL 37 Ca 0.03 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.23 3hd8 s VAL 37 Cb 0.03 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 36.06 3hd8 s VAL 37 CO -0.11 0.09 -0.07 -0.69 0.00 0.00 0.00 175.10 174.32 3hd8 s VAL 38 N 1.61 0.65 0.13 2.92 1.01 0.61 -2.01 120.40 125.31 3hd8 s VAL 38 Ca -0.06 -0.26 -0.15 0.00 0.00 0.00 0.00 61.98 61.51 3hd8 s VAL 38 Cb -0.11 -0.60 0.05 0.00 0.00 0.00 0.00 36.38 35.72 3hd8 s VAL 38 CO -0.08 0.22 0.71 0.61 0.00 0.00 0.00 175.10 176.56 3hd8 n GLY 39 N 3.49 0.82 3.06 4.51 0.00 -0.40 0.35 105.19 117.00 3hd8 n GLY 39 Ca -0.20 -1.08 -0.16 0.00 0.00 0.00 0.00 46.02 44.58 3hd8 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hd8 s LYS 40 N -2.03 0.63 0.00 1.61 1.02 -1.16 -1.58 119.74 118.23 3hd8 s LYS 40 Ca 0.16 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.57 3hd8 s LYS 40 Cb -0.02 -0.54 0.00 0.00 -0.52 0.00 0.00 37.83 36.75 3hd8 s LYS 40 CO 0.04 0.13 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 3hd8 n GLY 41 N 2.09 1.08 3.07 -3.33 0.00 -1.06 -1.09 105.19 105.94 3hd8 n GLY 41 Ca -0.18 0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 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 1.94 1.07 0.46 1.61 0.51 0.07 -1.45 118.94 123.15 3hd8 s TRP 42 Ca 0.00 -0.21 0.18 0.00 -2.12 0.00 0.00 56.10 53.95 3hd8 s TRP 42 Cb 0.00 -0.70 1.15 0.00 -0.81 0.00 0.00 33.47 33.11 3hd8 s TRP 42 CO 0.00 -0.03 1.96 1.15 -0.51 0.00 0.00 176.95 179.52 3hd8 h THR 43 N 4.91 0.80 -3.40 2.01 2.02 -1.86 -2.04 112.91 115.36 3hd8 h THR 43 Ca -0.33 -0.10 -0.64 0.00 0.77 0.00 0.00 66.41 66.11 3hd8 h THR 43 Cb 1.17 0.49 -0.36 0.00 -1.74 0.00 0.00 68.15 67.70 3hd8 h THR 43 CO 0.49 0.05 -0.82 -0.89 0.37 0.00 0.00 175.52 174.72 3hd8 s THR 44 N -5.29 1.87 0.80 3.16 2.01 -1.26 -3.01 115.64 113.92 3hd8 s THR 44 Ca -0.07 -1.10 -0.11 0.00 0.31 0.00 0.00 61.69 60.72 3hd8 s THR 44 Cb 0.20 -1.86 0.07 0.00 0.01 0.00 0.00 72.50 70.92 3hd8 s THR 44 CO 0.75 0.25 1.10 -0.83 -0.69 0.00 0.00 174.62 175.20 3hd8 s GLY 45 N 1.31 1.62 -0.13 4.40 0.00 0.66 -4.84 107.32 110.35 3hd8 s GLY 45 Ca -0.01 -0.20 -0.13 0.00 0.00 0.00 0.00 44.72 44.38 3hd8 s GLY 45 CO -0.09 0.23 0.36 -0.45 0.00 0.00 0.00 173.10 173.15 3hd8 s SER 46 N -3.89 -0.36 0.00 1.64 0.15 -1.26 -4.73 113.70 105.25 3hd8 s SER 46 Ca 0.61 0.68 0.14 0.00 0.70 0.00 0.00 55.95 58.08 3hd8 s SER 46 Cb -0.15 0.70 0.70 0.00 -1.71 0.00 0.00 66.02 65.57 3hd8 s SER 46 CO 0.54 -0.15 1.40 -0.81 1.20 0.00 0.00 173.24 175.43 3hd8 n PRO 47 N 2.78 0.17 0.00 5.44 -0.04 -1.26 -2.73 135.00 139.35 3hd8 n PRO 47 Ca -0.14 0.17 0.05 0.00 -0.04 0.00 0.00 63.50 63.54 3hd8 n PRO 47 Cb 0.57 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.32 0.00 -1.70 0.54 3.72 -1.26 -3.39 117.46 114.04 3hd8 n PHE 48 Ca 0.06 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.03 3hd8 n PHE 48 Cb 0.12 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 3hd8 n PHE 48 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3hd8 n ARG 49 N -0.30 2.29 -3.57 -1.08 0.63 -1.11 -4.81 116.66 108.71 3hd8 n ARG 49 Ca 0.04 0.81 -0.40 0.00 -0.92 0.00 0.00 57.85 57.38 3hd8 n ARG 49 Cb 0.20 -2.50 -0.11 0.00 0.45 0.00 0.00 32.46 30.50 3hd8 n ARG 49 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3hd8 s THR 50 N -0.24 4.97 -0.14 5.15 2.01 -1.26 -2.71 115.64 123.43 3hd8 s THR 50 Ca 0.64 -0.39 -0.17 0.00 0.31 0.00 0.00 61.69 62.08 3hd8 s THR 50 Cb -0.58 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 3hd8 s THR 50 CO 0.52 -0.03 0.44 -0.63 -0.69 0.00 0.00 174.62 174.23 3hd8 s ILE 51 N 1.66 5.21 -0.08 1.82 1.09 -0.69 -4.93 121.20 125.29 3hd8 s ILE 51 Ca 0.05 0.87 0.02 0.00 -1.10 0.00 0.00 60.65 60.49 3hd8 s ILE 51 Cb -0.18 -3.78 -0.02 0.00 -1.06 0.00 0.00 42.46 37.42 3hd8 s ILE 51 CO 0.09 0.32 -0.13 0.20 -0.10 0.00 0.00 174.94 175.32 3hd8 s ASN 52 N 0.65 4.09 0.08 3.58 0.01 -0.49 -0.64 114.94 122.23 3hd8 s ASN 52 Ca 0.24 -0.22 -0.11 0.00 -0.71 0.00 0.00 52.86 52.06 3hd8 s ASN 52 Cb -0.15 -1.14 0.01 0.00 0.41 0.00 0.00 41.25 40.39 3hd8 s ASN 52 CO 0.09 0.29 0.25 -0.72 -1.51 0.00 0.00 177.10 175.49 3hd8 s TYR 53 N -0.37 0.03 -0.13 2.20 1.13 -0.57 -0.67 117.35 118.97 3hd8 s TYR 53 Ca 0.04 -0.35 -0.03 0.00 -1.41 0.00 0.00 57.07 55.32 3hd8 s TYR 53 Cb -0.12 0.03 0.05 0.00 -1.10 0.00 0.00 41.96 40.81 3hd8 s TYR 53 CO 0.02 -0.54 0.04 1.21 -2.51 0.00 0.00 175.55 173.78 3hd8 s ASN 54 N -2.56 2.15 -0.72 -0.18 3.04 0.18 -0.42 114.94 116.43 3hd8 s ASN 54 Ca 0.01 -0.44 -0.15 0.00 0.04 0.00 0.00 52.86 52.32 3hd8 s ASN 54 Cb 0.02 -0.39 0.18 0.00 -1.54 0.00 0.00 41.25 39.52 3hd8 s ASN 54 CO -0.08 -0.28 0.68 0.00 -3.04 0.00 0.00 177.10 174.37 3hd8 s ALA 55 N 2.01 3.90 0.24 1.71 0.00 -1.26 -0.95 121.76 127.40 3hd8 s ALA 55 Ca 0.02 -3.00 0.19 0.00 0.00 0.00 0.00 51.96 49.16 3hd8 s ALA 55 Cb -0.15 -3.44 0.78 0.00 0.00 0.00 0.00 23.12 20.31 3hd8 s ALA 55 CO -0.07 -2.20 1.79 0.78 0.00 0.00 0.00 175.76 176.06 3hd8 h GLY 56 N 8.29 0.00 -6.12 0.00 0.00 -0.60 -0.80 103.07 103.84 3hd8 h GLY 56 Ca -0.05 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.83 3hd8 h GLY 56 CO 0.87 0.00 -0.79 0.14 0.00 0.00 0.00 176.54 176.76 3hd8 s VAL 57 N -3.77 0.78 -0.32 4.60 1.01 -0.96 -4.73 120.40 117.00 3hd8 s VAL 57 Ca -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 3hd8 s VAL 57 Cb 0.12 -0.76 0.11 0.00 0.00 0.00 0.00 36.38 35.85 3hd8 s VAL 57 CO 0.68 0.28 0.15 0.86 0.00 0.00 0.00 175.10 177.07 3hd8 s TRP 58 N 0.88 0.94 -0.42 5.22 -0.11 -1.26 -0.52 118.94 123.67 3hd8 s TRP 58 Ca -0.11 -1.44 0.07 0.00 1.22 0.00 0.00 56.10 55.84 3hd8 s TRP 58 Cb -0.15 -1.22 0.24 0.00 -1.50 0.00 0.00 33.47 30.85 3hd8 s TRP 58 CO 0.01 -0.84 0.53 0.00 -4.62 0.00 0.00 176.95 172.03 3hd8 n ALA 59 N 4.68 2.64 -1.99 5.86 0.00 -0.52 -5.05 120.51 126.14 3hd8 n ALA 59 Ca 0.01 -3.52 -0.36 0.00 0.00 0.00 0.00 53.44 49.56 3hd8 n ALA 59 Cb 0.40 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.20 4.36 -0.49 0.00 0.04 -1.26 -1.76 135.00 134.69 3hd8 s PRO 60 Ca 0.35 1.03 0.04 0.00 0.04 0.00 0.00 61.00 62.46 3hd8 s PRO 60 Cb 0.15 -2.83 0.13 0.00 0.04 0.00 0.00 34.50 31.99 3hd8 s PRO 60 CO -0.11 0.34 0.25 -0.80 0.04 0.00 0.00 177.00 176.72 3hd8 s ASN 61 N -1.66 4.19 0.00 6.66 0.01 0.15 -4.92 114.94 119.38 3hd8 s ASN 61 Ca 0.46 -2.89 0.00 0.00 -0.71 0.00 0.00 52.86 49.72 3hd8 s ASN 61 Cb -0.17 -1.51 0.00 0.00 0.41 0.00 0.00 41.25 39.98 3hd8 s ASN 61 CO 0.22 -0.25 0.00 0.61 -1.51 0.00 0.00 177.10 176.17 3hd8 n GLY 62 N 3.25 -0.30 3.74 0.66 0.00 -1.26 -2.15 105.19 109.13 3hd8 n GLY 62 Ca 0.06 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 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 7.21 -0.25 1.61 0.01 -1.21 -1.28 114.94 117.04 3hd8 s ASN 63 Ca 0.00 2.17 -0.29 0.00 -0.71 0.00 0.00 52.86 54.03 3hd8 s ASN 63 Cb 0.00 -2.61 0.16 0.00 0.41 0.00 0.00 41.25 39.22 3hd8 s ASN 63 CO 0.00 -0.25 1.22 -0.83 -1.51 0.00 0.00 177.10 175.73 3hd8 s GLY 64 N -0.19 -0.01 -0.02 0.66 0.00 -1.26 -1.40 107.32 105.11 3hd8 s GLY 64 Ca 0.49 2.65 0.03 0.00 0.00 0.00 0.00 44.72 47.89 3hd8 s GLY 64 CO 0.37 1.25 -0.10 -0.19 0.00 0.00 0.00 173.10 174.43 3hd8 s TYR 65 N -0.81 0.92 -0.36 1.90 2.02 0.15 -0.99 117.35 120.18 3hd8 s TYR 65 Ca 0.05 -0.20 -0.04 0.00 -0.37 0.00 0.00 57.07 56.51 3hd8 s TYR 65 Cb -0.02 -0.62 0.07 0.00 -0.40 0.00 0.00 41.96 41.00 3hd8 s TYR 65 CO -0.06 -0.05 0.12 -1.17 -1.57 0.00 0.00 175.55 172.83 3hd8 s LEU 66 N -0.05 4.60 -0.08 -1.29 2.96 -0.22 -1.27 118.68 123.32 3hd8 s LEU 66 Ca 0.01 -1.53 -0.19 0.00 -0.22 0.00 0.00 54.13 52.20 3hd8 s LEU 66 Cb -0.06 -1.82 0.04 0.00 0.50 0.00 0.00 46.19 44.85 3hd8 s LEU 66 CO -0.00 -0.40 0.45 0.28 -1.32 0.00 0.00 176.35 175.36 3hd8 s THR 67 N 1.27 0.02 0.09 3.68 -1.32 -0.80 -0.84 115.64 117.75 3hd8 s THR 67 Ca 0.01 -0.19 -0.23 0.00 -1.21 0.00 0.00 61.69 60.07 3hd8 s THR 67 Cb -0.21 -0.72 -0.07 0.00 -1.51 0.00 0.00 72.50 70.00 3hd8 s THR 67 CO -0.01 -0.11 0.70 -0.22 -2.21 0.00 0.00 174.62 172.77 3hd8 s LEU 68 N -0.70 4.52 0.17 9.08 2.96 -0.59 0.10 118.68 134.23 3hd8 s LEU 68 Ca -0.08 1.44 -0.23 0.00 -0.22 0.00 0.00 54.13 55.04 3hd8 s LEU 68 Cb -0.03 -3.13 0.06 0.00 0.50 0.00 0.00 46.19 43.58 3hd8 s LEU 68 CO 0.04 0.16 0.67 -0.72 -1.32 0.00 0.00 176.35 175.18 3hd8 s TYR 69 N -0.73 -0.42 -1.18 5.38 -0.85 -0.57 0.09 117.35 119.08 3hd8 s TYR 69 Ca 0.34 0.15 0.00 0.00 -0.52 0.00 0.00 57.07 57.04 3hd8 s TYR 69 Cb -0.21 0.60 0.00 0.00 0.38 0.00 0.00 41.96 42.73 3hd8 s TYR 69 CO 0.22 -0.92 0.00 0.41 -1.52 0.00 0.00 175.55 173.74 3hd8 n GLY 70 N -0.39 -1.33 3.13 5.49 0.00 -0.68 -0.36 105.19 111.05 3hd8 n GLY 70 Ca -0.12 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.78 0.87 0.21 1.61 0.52 -0.86 -1.00 118.94 117.50 3hd8 s TRP 71 Ca 0.00 -0.69 0.11 0.00 0.02 0.00 0.00 56.10 55.54 3hd8 s TRP 71 Cb 0.00 -0.50 -0.04 0.00 -1.15 0.00 0.00 33.47 31.78 3hd8 s TRP 71 CO 0.00 -0.08 -0.22 0.95 0.02 0.00 0.00 176.95 177.62 3hd8 s THR 72 N -2.45 2.27 0.38 2.01 -4.23 -0.44 -1.71 115.64 111.47 3hd8 s THR 72 Ca 0.02 -2.09 0.08 0.00 -1.18 0.00 0.00 61.69 58.51 3hd8 s THR 72 Cb -0.03 -2.11 -0.02 0.00 1.34 0.00 0.00 72.50 71.68 3hd8 s THR 72 CO -0.01 -0.22 0.35 -0.13 -0.54 0.00 0.00 174.62 174.07 3hd8 s ARG 73 N -2.88 2.65 -1.11 3.99 0.52 -0.13 -1.76 118.95 120.24 3hd8 s ARG 73 Ca 0.22 -1.39 -0.08 0.00 -0.52 0.00 0.00 55.73 53.96 3hd8 s ARG 73 Cb -0.07 -2.46 -0.04 0.00 0.52 0.00 0.00 34.95 32.90 3hd8 s ARG 73 CO 0.10 -0.06 0.89 0.43 0.02 0.00 0.00 175.30 176.68 3hd8 n SER 74 N -1.49 -5.38 -4.88 0.23 7.64 -1.26 -2.67 113.62 105.81 3hd8 n SER 74 Ca 0.01 -0.77 -0.22 0.00 1.01 0.00 0.00 58.87 58.90 3hd8 n SER 74 Cb 0.61 -4.75 0.06 0.00 -1.01 0.00 0.00 64.21 59.11 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 -4.95 2.24 -0.45 1.43 0.05 -1.26 -1.81 135.00 130.25 3hd8 s PRO 75 Ca 0.37 -0.87 -0.28 0.00 0.05 0.00 0.00 61.00 60.27 3hd8 s PRO 75 Cb -0.07 -2.42 0.00 0.00 0.05 0.00 0.00 34.50 32.06 3hd8 s PRO 75 CO 0.77 -0.98 1.51 -1.17 0.05 0.00 0.00 177.00 177.18 3hd8 s LEU 76 N -4.91 3.50 -0.03 -3.56 2.96 -1.25 -3.66 118.68 111.73 3hd8 s LEU 76 Ca 0.60 0.74 0.04 0.00 -0.22 0.00 0.00 54.13 55.29 3hd8 s LEU 76 Cb -0.09 -3.35 -0.00 0.00 0.50 0.00 0.00 46.19 43.25 3hd8 s LEU 76 CO 0.41 -1.62 -0.14 -0.63 -1.32 0.00 0.00 176.35 173.05 3hd8 s ILE 77 N 6.10 1.18 -0.12 6.68 -1.09 -0.72 -4.12 121.20 129.12 3hd8 s ILE 77 Ca 0.63 -0.60 -0.05 0.00 -2.23 0.00 0.00 60.65 58.40 3hd8 s ILE 77 Cb -0.14 -1.01 -0.04 0.00 -1.58 0.00 0.00 42.46 39.69 3hd8 s ILE 77 CO 0.30 0.34 0.07 -0.70 -1.23 0.00 0.00 174.94 173.72 3hd8 s GLU 78 N -0.04 3.34 0.13 2.79 2.12 -1.05 -1.33 118.70 124.66 3hd8 s GLU 78 Ca -0.01 -0.29 0.05 0.00 0.36 0.00 0.00 54.97 55.08 3hd8 s GLU 78 Cb -0.09 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 3hd8 s GLU 78 CO 0.01 0.65 -0.11 1.52 -0.54 0.00 0.00 175.26 176.79 3hd8 s TYR 79 N -0.70 1.26 -0.08 5.30 -0.85 -0.17 -0.59 117.35 121.52 3hd8 s TYR 79 Ca 0.12 -0.69 -0.05 0.00 -0.52 0.00 0.00 57.07 55.94 3hd8 s TYR 79 Cb -0.12 -0.65 0.03 0.00 0.38 0.00 0.00 41.96 41.61 3hd8 s TYR 79 CO 0.02 0.09 0.18 0.71 -1.52 0.00 0.00 175.55 175.04 3hd8 s TYR 80 N -2.86 -0.22 -0.33 -3.49 1.51 -0.24 -1.68 117.35 110.03 3hd8 s TYR 80 Ca 0.13 0.57 0.03 0.00 -1.01 0.00 0.00 57.07 56.79 3hd8 s TYR 80 Cb -0.00 0.00 0.09 0.00 -0.11 0.00 0.00 41.96 41.94 3hd8 s TYR 80 CO 0.01 -0.16 0.03 0.08 -1.11 0.00 0.00 175.55 174.40 3hd8 s VAL 81 N 0.86 2.35 -0.29 0.71 1.01 0.11 -0.14 120.40 125.01 3hd8 s VAL 81 Ca -0.06 -2.18 -0.10 0.00 0.00 0.00 0.00 61.98 59.64 3hd8 s VAL 81 Cb -0.08 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3hd8 s VAL 81 CO -0.05 -0.49 0.17 -0.69 0.00 0.00 0.00 175.10 174.04 3hd8 s VAL 82 N 0.96 5.01 -0.14 2.92 1.01 0.11 -1.54 120.40 128.73 3hd8 s VAL 82 Ca 0.07 -0.06 0.18 0.00 0.00 0.00 0.00 61.98 62.16 3hd8 s VAL 82 Cb -0.19 -3.44 -0.25 0.00 0.00 0.00 0.00 36.38 32.49 3hd8 s VAL 82 CO -0.07 0.19 0.18 0.47 0.00 0.00 0.00 175.10 175.86 3hd8 n ASP 83 N 5.03 0.44 -3.89 3.32 9.92 -0.02 -1.43 116.55 129.93 3hd8 n ASP 83 Ca -0.14 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.03 3hd8 n ASP 83 Cb 0.51 1.24 -0.04 0.00 -0.64 0.00 0.00 41.12 42.20 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 -4.98 -0.19 0.22 -2.24 0.15 -1.06 -0.69 113.70 104.91 3hd8 s SER 84 Ca -0.09 -0.71 -0.05 0.00 0.70 0.00 0.00 55.95 55.81 3hd8 s SER 84 Cb 0.08 0.63 0.02 0.00 -1.71 0.00 0.00 66.02 65.04 3hd8 s SER 84 CO 0.78 -1.18 0.37 -2.67 1.20 0.00 0.00 173.24 171.74 3hd8 n TRP 85 N -0.40 -1.40 0.00 3.44 2.14 -1.26 -1.06 117.44 118.90 3hd8 n TRP 85 Ca -0.05 -1.26 0.00 0.00 2.07 0.00 0.00 57.50 58.26 3hd8 n TRP 85 Cb 0.61 0.43 0.00 0.00 -0.81 0.00 0.00 31.31 31.54 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 -0.33 0.47 0.25 -1.67 0.00 -0.16 -4.90 105.19 98.85 3hd8 n GLY 86 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 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 1.25 -4.10 2.61 1.35 -1.50 -3.45 112.91 109.07 3hd8 h THR 87 Ca 0.00 -1.16 -0.61 0.00 -0.55 0.00 0.00 66.41 64.09 3hd8 h THR 87 Cb 0.00 1.25 -0.31 0.00 -1.73 0.00 0.00 68.15 67.36 3hd8 h THR 87 CO 0.00 0.37 -0.86 -0.31 -0.25 0.00 0.00 175.52 174.48 3hd8 s TYR 88 N -4.61 1.96 -0.34 4.73 1.51 -1.26 -5.04 117.35 114.29 3hd8 s TYR 88 Ca -0.07 -0.51 -0.20 0.00 -1.01 0.00 0.00 57.07 55.28 3hd8 s TYR 88 Cb 0.14 -1.29 -0.00 0.00 -0.11 0.00 0.00 41.96 40.70 3hd8 s TYR 88 CO 0.79 -0.14 0.61 0.50 -1.11 0.00 0.00 175.55 176.20 3hd8 s ARG 89 N -0.18 3.74 0.37 -0.62 3.52 -1.26 -4.86 118.95 119.66 3hd8 s ARG 89 Ca -0.00 0.09 -0.27 0.00 -0.13 0.00 0.00 55.73 55.42 3hd8 s ARG 89 Cb -0.11 -3.78 -0.10 0.00 -1.56 0.00 0.00 34.95 29.40 3hd8 s ARG 89 CO 0.02 -0.67 1.34 -1.25 -0.81 0.00 0.00 175.30 173.92 3hd8 s PRO 90 N 2.63 4.15 0.25 5.12 0.04 -1.26 -5.01 135.00 140.92 3hd8 s PRO 90 Ca 0.24 2.25 0.04 0.00 0.04 0.00 0.00 61.00 63.57 3hd8 s PRO 90 Cb -0.15 -2.92 -0.01 0.00 0.04 0.00 0.00 34.50 31.46 3hd8 s PRO 90 CO 0.14 -0.38 0.14 0.25 0.04 0.00 0.00 177.00 177.19 3hd8 n THR 91 N 0.46 0.00 -1.07 1.26 -2.24 -1.26 -4.92 114.28 106.51 3hd8 n THR 91 Ca 0.02 -1.62 0.00 0.00 -2.27 0.00 0.00 64.05 60.18 3hd8 n THR 91 Cb 0.42 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.10 2.05 3.64 3.38 0.00 -1.26 -5.00 105.19 107.91 3hd8 n GLY 92 Ca 0.00 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.50 3.82 0.25 2.61 2.01 -0.51 -4.85 115.64 118.46 3hd8 s THR 93 Ca 0.00 0.96 -0.30 0.00 0.31 0.00 0.00 61.69 62.66 3hd8 s THR 93 Cb 0.00 -3.74 -0.09 0.00 0.01 0.00 0.00 72.50 68.67 3hd8 s THR 93 CO 0.00 -0.23 1.16 -0.47 -0.69 0.00 0.00 174.62 174.39 3hd8 s TYR 94 N 4.53 3.46 0.00 4.92 5.04 -1.26 -1.47 117.35 132.57 3hd8 s TYR 94 Ca 0.67 1.56 0.00 0.00 -2.44 0.00 0.00 57.07 56.86 3hd8 s TYR 94 Cb -0.25 -3.39 0.00 0.00 0.35 0.00 0.00 41.96 38.67 3hd8 s TYR 94 CO 0.26 -0.95 0.00 1.63 -1.34 0.00 0.00 175.55 175.14 3hd8 n LYS 95 N 1.65 4.26 0.00 4.97 4.76 -0.14 -4.93 118.16 128.73 3hd8 n LYS 95 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 3hd8 n LYS 95 Cb 0.44 -0.38 0.00 0.00 -1.84 0.00 0.00 35.03 33.25 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 0.76 2.24 3.04 0.72 0.00 -1.25 -4.96 105.19 105.75 3hd8 n GLY 96 Ca 0.00 -1.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.17 3hd8 n GLY 96 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hd8 s THR 97 N -1.65 0.28 -0.02 2.61 -1.32 -1.26 0.74 115.64 115.02 3hd8 s THR 97 Ca 0.00 -1.28 -0.01 0.00 -1.21 0.00 0.00 61.69 59.20 3hd8 s THR 97 Cb 0.00 -0.79 0.02 0.00 -1.51 0.00 0.00 72.50 70.21 3hd8 s THR 97 CO 0.00 -0.64 0.04 0.54 -2.21 0.00 0.00 174.62 172.34 3hd8 s VAL 98 N -2.30 -0.03 -0.11 5.08 0.11 -0.20 -4.96 120.40 117.99 3hd8 s VAL 98 Ca -0.06 0.12 -0.19 0.00 -2.93 0.00 0.00 61.98 58.92 3hd8 s VAL 98 Cb -0.04 -0.08 -0.04 0.00 -1.53 0.00 0.00 36.38 34.69 3hd8 s VAL 98 CO -0.03 0.05 0.52 -0.54 -3.33 0.00 0.00 175.10 171.76 3hd8 s LYS 99 N 0.61 4.35 -0.26 1.54 1.02 -1.26 -0.93 119.74 124.82 3hd8 s LYS 99 Ca -0.05 0.53 -0.21 0.00 0.02 0.00 0.00 55.97 56.26 3hd8 s LYS 99 Cb -0.07 -3.44 0.07 0.00 -0.52 0.00 0.00 37.83 33.87 3hd8 s LYS 99 CO -0.02 0.15 0.67 0.45 -0.92 0.00 0.00 175.35 175.68 3hd8 s SER 100 N 0.63 -0.75 -1.42 2.83 0.15 0.48 -4.98 113.70 110.64 3hd8 s SER 100 Ca 0.28 1.38 -0.08 0.00 0.70 0.00 0.00 55.95 58.23 3hd8 s SER 100 Cb -0.16 1.36 0.04 0.00 -1.71 0.00 0.00 66.02 65.55 3hd8 s SER 100 CO 0.12 -0.23 0.93 0.47 1.20 0.00 0.00 173.24 175.73 3hd8 n ASP 101 N 3.14 -3.80 0.00 5.45 8.00 -1.26 -1.23 116.55 126.84 3hd8 n ASP 101 Ca -0.16 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.60 3hd8 n ASP 101 Cb 0.56 -4.19 0.00 0.00 -0.02 0.00 0.00 41.12 37.47 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 -1.68 0.94 3.44 0.44 0.00 -1.26 -4.91 105.19 102.17 3hd8 n GLY 102 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 1.78 -0.16 -0.02 0.00 -0.37 -5.13 107.32 101.42 3hd8 s GLY 103 Ca 0.00 -1.83 -0.04 0.00 0.00 0.00 0.00 44.72 42.84 3hd8 s GLY 103 CO 0.00 -1.91 -0.03 -1.59 0.00 0.00 0.00 173.10 169.57 3hd8 s THR 104 N -2.65 3.93 0.02 0.90 2.01 -1.26 -0.38 115.64 118.20 3hd8 s THR 104 Ca 0.28 -0.34 0.05 0.00 0.31 0.00 0.00 61.69 61.99 3hd8 s THR 104 Cb -0.03 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 3hd8 s THR 104 CO 0.13 0.48 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.10 3hd8 s TYR 105 N 0.48 2.70 0.05 4.92 1.51 -0.11 0.03 117.35 126.93 3hd8 s TYR 105 Ca -0.03 -0.16 -0.09 0.00 -1.01 0.00 0.00 57.07 55.78 3hd8 s TYR 105 Cb -0.14 -1.53 -0.05 0.00 -0.11 0.00 0.00 41.96 40.12 3hd8 s TYR 105 CO 0.03 0.29 0.35 -0.51 -1.11 0.00 0.00 175.55 174.60 3hd8 s ASP 106 N -1.38 6.59 -0.13 2.29 1.01 0.19 -1.04 116.67 124.20 3hd8 s ASP 106 Ca 0.15 0.70 -0.03 0.00 0.71 0.00 0.00 52.55 54.08 3hd8 s ASP 106 Cb -0.11 -2.14 -0.03 0.00 1.01 0.00 0.00 42.92 41.65 3hd8 s ASP 106 CO 0.06 0.20 -0.01 -0.63 0.21 0.00 0.00 175.17 175.00 3hd8 s ILE 107 N -1.36 4.14 0.04 0.77 1.01 0.23 -1.15 121.20 124.87 3hd8 s ILE 107 Ca 0.31 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.70 3hd8 s ILE 107 Cb -0.14 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 3hd8 s ILE 107 CO 0.17 0.53 -0.07 -0.31 0.00 0.00 0.00 174.94 175.26 3hd8 s TYR 108 N -0.07 0.64 0.21 3.97 2.02 0.27 -0.97 117.35 123.42 3hd8 s TYR 108 Ca 0.03 -0.49 0.10 0.00 -0.37 0.00 0.00 57.07 56.34 3hd8 s TYR 108 Cb -0.13 -0.39 -0.04 0.00 -0.40 0.00 0.00 41.96 41.00 3hd8 s TYR 108 CO 0.02 -0.09 -0.15 0.95 -1.57 0.00 0.00 175.55 174.71 3hd8 s THR 109 N -1.35 2.81 0.11 -0.71 -4.23 -0.54 -0.61 115.64 111.11 3hd8 s THR 109 Ca -0.10 -1.96 -0.07 0.00 -1.18 0.00 0.00 61.69 58.38 3hd8 s THR 109 Cb -0.10 -2.41 -0.01 0.00 1.34 0.00 0.00 72.50 71.32 3hd8 s THR 109 CO 0.00 -0.20 0.17 -0.89 -0.54 0.00 0.00 174.62 173.17 3hd8 s THR 110 N -1.92 0.13 0.04 3.99 2.01 -0.86 -1.43 115.64 117.60 3hd8 s THR 110 Ca 0.25 -1.39 0.04 0.00 0.31 0.00 0.00 61.69 60.91 3hd8 s THR 110 Cb -0.07 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 3hd8 s THR 110 CO 0.14 -0.58 -0.13 -0.89 -0.69 0.00 0.00 174.62 172.47 3hd8 s THR 111 N -3.92 1.03 -0.08 -0.82 2.01 -1.26 -1.13 115.64 111.47 3hd8 s THR 111 Ca 0.10 -0.99 0.04 0.00 0.31 0.00 0.00 61.69 61.15 3hd8 s THR 111 Cb 0.05 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.61 3hd8 s THR 111 CO -0.07 -0.04 -0.21 -0.13 -0.69 0.00 0.00 174.62 173.49 3hd8 s ARG 112 N -1.17 2.51 -0.09 4.92 1.81 0.03 -4.95 118.95 122.02 3hd8 s ARG 112 Ca 0.00 -0.75 0.03 0.00 -1.72 0.00 0.00 55.73 53.30 3hd8 s ARG 112 Cb -0.08 -1.99 -0.02 0.00 -0.45 0.00 0.00 34.95 32.42 3hd8 s ARG 112 CO 0.01 0.18 -0.17 0.71 -0.68 0.00 0.00 175.30 175.36 3hd8 s TYR 113 N 0.30 2.67 -1.40 -0.53 2.02 -1.26 -1.44 117.35 117.70 3hd8 s TYR 113 Ca -0.14 -0.56 -0.04 0.00 -0.37 0.00 0.00 57.07 55.97 3hd8 s TYR 113 Cb -0.16 -1.71 0.04 0.00 -0.40 0.00 0.00 41.96 39.73 3hd8 s TYR 113 CO 0.06 -0.11 0.10 0.09 -1.57 0.00 0.00 175.55 174.12 3hd8 n ASN 114 N 3.04 0.37 -4.74 2.29 3.02 -0.37 -4.86 115.26 114.01 3hd8 n ASN 114 Ca -0.18 -1.10 -0.24 0.00 -0.03 0.00 0.00 54.58 53.03 3hd8 n ASN 114 Cb 0.52 -1.38 -0.06 0.00 -0.61 0.00 0.00 39.78 38.25 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 -3.97 3.40 0.57 5.41 0.00 0.46 -4.31 121.76 123.32 3hd8 s ALA 115 Ca 0.14 -1.42 -0.20 0.00 0.00 0.00 0.00 51.96 50.47 3hd8 s ALA 115 Cb -0.08 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 3hd8 s ALA 115 CO 0.87 0.36 1.29 -2.14 0.00 0.00 0.00 175.76 176.13 3hd8 s PRO 116 N -3.45 3.07 0.29 0.00 0.02 -1.17 -0.78 135.00 132.97 3hd8 s PRO 116 Ca 0.31 2.05 -0.16 0.00 0.02 0.00 0.00 61.00 63.22 3hd8 s PRO 116 Cb -0.08 -2.12 0.06 0.00 0.02 0.00 0.00 34.50 32.38 3hd8 s PRO 116 CO 0.22 -1.19 0.81 -1.13 -0.33 0.00 0.00 177.00 175.38 3hd8 n SER 117 N -1.26 -1.93 0.00 2.53 3.41 0.03 -4.93 113.62 111.48 3hd8 n SER 117 Ca 0.12 -2.23 0.03 0.00 -0.26 0.00 0.00 58.87 56.53 3hd8 n SER 117 Cb 0.47 3.18 0.15 0.00 -0.26 0.00 0.00 64.21 67.75 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 -0.56 1.38 0.38 -1.33 -5.35 -1.26 -2.59 119.36 110.03 3hd8 n ILE 118 Ca -0.06 0.35 0.10 0.00 -0.27 0.00 0.00 62.75 62.86 3hd8 n ILE 118 Cb 0.54 -1.23 0.15 0.00 -1.74 0.00 0.00 39.64 37.37 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 -1.45 3.01 0.00 7.28 8.00 -1.26 -5.07 116.55 127.06 3hd8 n ASP 119 Ca 0.02 -1.89 0.00 0.00 0.71 0.00 0.00 54.79 53.63 3hd8 n ASP 119 Cb 0.07 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 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 1.17 1.37 0.11 0.44 0.00 -1.07 -4.92 105.19 102.29 3hd8 n GLY 120 Ca 0.15 -2.01 0.04 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.96 1.61 3.58 -1.83 0.13 116.42 116.95 3hd8 h ASP 121 Ca 0.00 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.87 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 0.36 -0.79 -0.13 -2.88 0.00 0.00 179.24 175.80 3hd8 s ARG 122 N -3.08 0.71 0.07 0.28 1.81 -1.25 -3.07 118.95 114.42 3hd8 s ARG 122 Ca -0.01 -1.33 -0.07 0.00 -1.72 0.00 0.00 55.73 52.60 3hd8 s ARG 122 Cb 0.09 -1.67 -0.01 0.00 -0.45 0.00 0.00 34.95 32.91 3hd8 s ARG 122 CO 0.79 -1.13 0.14 -0.08 -0.68 0.00 0.00 175.30 174.34 3hd8 s THR 123 N 1.15 0.15 -0.09 0.02 -1.32 0.04 -4.72 115.64 110.87 3hd8 s THR 123 Ca 0.15 -1.23 0.04 0.00 -1.21 0.00 0.00 61.69 59.43 3hd8 s THR 123 Cb -0.21 -1.24 0.00 0.00 -1.51 0.00 0.00 72.50 69.54 3hd8 s THR 123 CO -0.10 -0.68 -0.21 -0.89 -2.21 0.00 0.00 174.62 170.53 3hd8 s THR 124 N -3.49 1.79 0.21 5.08 2.01 -1.26 -0.40 115.64 119.57 3hd8 s THR 124 Ca 0.02 -0.86 -0.22 0.00 0.31 0.00 0.00 61.69 60.94 3hd8 s THR 124 Cb 0.04 -1.56 0.05 0.00 0.01 0.00 0.00 72.50 71.04 3hd8 s THR 124 CO -0.09 0.50 0.67 0.72 -0.69 0.00 0.00 174.62 175.73 3hd8 s PHE 125 N 0.40 -0.36 -0.03 4.92 -0.12 -0.52 -4.92 117.98 117.34 3hd8 s PHE 125 Ca -0.17 0.04 -0.03 0.00 -0.05 0.00 0.00 56.93 56.72 3hd8 s PHE 125 Cb -0.17 0.63 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 3hd8 s PHE 125 CO 0.07 -1.02 0.15 0.99 -0.05 0.00 0.00 175.22 175.36 3hd8 s THR 126 N -3.80 5.26 -0.06 -4.49 2.01 -1.26 -0.79 115.64 112.51 3hd8 s THR 126 Ca 0.06 -0.16 -0.00 0.00 0.31 0.00 0.00 61.69 61.90 3hd8 s THR 126 Cb -0.03 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 3hd8 s THR 126 CO -0.03 0.39 -0.03 -1.10 -0.69 0.00 0.00 174.62 173.16 3hd8 s GLN 127 N -1.72 2.85 -0.07 4.92 -0.21 -0.28 -2.53 119.66 122.61 3hd8 s GLN 127 Ca 0.24 -0.50 0.01 0.00 0.02 0.00 0.00 55.36 55.13 3hd8 s GLN 127 Cb -0.12 -2.69 -0.03 0.00 1.00 0.00 0.00 33.01 31.17 3hd8 s GLN 127 CO 0.15 0.67 -0.08 0.71 -2.12 0.00 0.00 175.29 174.62 3hd8 s TYR 128 N -0.89 2.89 -0.04 0.91 2.02 0.24 -2.02 117.35 120.46 3hd8 s TYR 128 Ca 0.14 -0.06 0.02 0.00 -0.37 0.00 0.00 57.07 56.80 3hd8 s TYR 128 Cb -0.11 -1.72 0.01 0.00 -0.40 0.00 0.00 41.96 39.74 3hd8 s TYR 128 CO 0.03 0.26 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.59 3hd8 s TRP 129 N -0.67 1.09 -0.25 2.71 0.52 0.22 -1.08 118.94 121.47 3hd8 s TRP 129 Ca 0.10 -0.32 -0.05 0.00 0.02 0.00 0.00 56.10 55.86 3hd8 s TRP 129 Cb -0.11 -0.80 0.00 0.00 -1.15 0.00 0.00 33.47 31.41 3hd8 s TRP 129 CO 0.02 -0.16 0.01 -1.12 0.02 0.00 0.00 176.95 175.71 3hd8 s SER 130 N 0.41 4.67 -0.17 2.95 0.01 0.80 -0.57 113.70 121.81 3hd8 s SER 130 Ca -0.07 -0.59 0.01 0.00 1.31 0.00 0.00 55.95 56.61 3hd8 s SER 130 Cb -0.11 -1.79 0.01 0.00 0.21 0.00 0.00 66.02 64.34 3hd8 s SER 130 CO 0.01 -0.10 -0.18 -0.69 0.41 0.00 0.00 173.24 172.69 3hd8 s VAL 131 N 1.47 2.28 0.75 3.43 1.01 -0.30 0.05 120.40 129.08 3hd8 s VAL 131 Ca 0.04 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 60.99 3hd8 s VAL 131 Cb -0.16 -1.96 0.05 0.00 0.00 0.00 0.00 36.38 34.31 3hd8 s VAL 131 CO -0.01 0.53 1.20 -0.60 0.00 0.00 0.00 175.10 176.22 3hd8 s ARG 132 N 1.14 2.03 0.23 2.72 3.52 -0.52 -0.63 118.95 127.44 3hd8 s ARG 132 Ca 0.01 1.75 0.06 0.00 -0.13 0.00 0.00 55.73 57.41 3hd8 s ARG 132 Cb -0.14 -1.82 0.22 0.00 -1.56 0.00 0.00 34.95 31.65 3hd8 s ARG 132 CO -0.08 -1.91 1.53 1.96 -0.81 0.00 0.00 175.30 175.99 3hd8 h GLN 133 N -0.44 0.17 -4.24 5.12 4.20 -0.76 -3.45 115.11 115.72 3hd8 h GLN 133 Ca -0.47 -0.13 -0.15 0.00 0.06 0.00 0.00 58.65 57.96 3hd8 h GLN 133 Cb 1.29 0.02 -0.15 0.00 0.30 0.00 0.00 27.48 28.95 3hd8 h GLN 133 CO 0.49 0.77 -0.58 -1.54 -0.67 0.00 0.00 178.83 177.30 3hd8 s SER 134 N -6.89 0.30 0.21 1.46 1.04 -1.26 -5.11 113.70 103.45 3hd8 s SER 134 Ca -0.03 -1.05 -0.31 0.00 0.48 0.00 0.00 55.95 55.04 3hd8 s SER 134 Cb 0.12 0.30 -0.10 0.00 0.10 0.00 0.00 66.02 66.43 3hd8 s SER 134 CO 0.80 -0.72 1.53 -0.54 0.98 0.00 0.00 173.24 175.28 3hd8 s LYS 135 N -3.99 4.22 0.14 4.02 1.02 -1.26 -4.92 119.74 118.98 3hd8 s LYS 135 Ca 0.17 2.37 -0.31 0.00 0.02 0.00 0.00 55.97 58.22 3hd8 s LYS 135 Cb 0.07 -3.12 -0.08 0.00 -0.52 0.00 0.00 37.83 34.17 3hd8 s LYS 135 CO -0.03 -0.55 1.33 0.50 -0.92 0.00 0.00 175.35 175.69 3hd8 s ARG 136 N 0.45 4.36 0.47 1.68 3.52 0.13 -4.97 118.95 124.60 3hd8 s ARG 136 Ca 0.66 2.03 -0.23 0.00 -0.13 0.00 0.00 55.73 58.06 3hd8 s ARG 136 Cb -0.44 -3.24 -0.09 0.00 -1.56 0.00 0.00 34.95 29.62 3hd8 s ARG 136 CO 0.37 -0.34 0.98 -2.30 -0.81 0.00 0.00 175.30 173.20 3hd8 n PRO 137 N 3.42 1.22 -4.49 5.12 -0.01 -1.26 -4.82 135.00 134.17 3hd8 n PRO 137 Ca 0.09 0.44 -0.24 0.00 -0.01 0.00 0.00 63.50 63.79 3hd8 n PRO 137 Cb 0.43 -2.06 -0.10 0.00 -0.01 0.00 0.00 33.50 31.75 3hd8 n PRO 137 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 175.50 176.44 3hd8 s THR 138 N -1.36 1.96 0.00 3.45 -4.23 -1.26 -4.80 115.64 109.39 3hd8 s THR 138 Ca 0.66 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 3hd8 s THR 138 Cb -0.51 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 70.77 3hd8 s THR 138 CO 0.54 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 3hd8 n GLY 139 N -0.70 2.43 3.60 3.99 0.00 -0.31 -4.99 105.19 109.22 3hd8 n GLY 139 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.18 3.94 0.27 1.61 0.01 -1.26 -4.80 113.70 112.29 3hd8 s SER 140 Ca 0.00 -1.18 -0.30 0.00 1.31 0.00 0.00 55.95 55.78 3hd8 s SER 140 Cb 0.00 -0.42 -0.10 0.00 0.21 0.00 0.00 66.02 65.71 3hd8 s SER 140 CO 0.00 -0.30 1.42 0.20 0.41 0.00 0.00 173.24 174.97 3hd8 s ASN 141 N -3.69 6.65 0.01 2.44 0.01 -1.26 -4.46 114.94 114.65 3hd8 s ASN 141 Ca 0.34 2.69 0.01 0.00 -0.71 0.00 0.00 52.86 55.19 3hd8 s ASN 141 Cb 0.04 -2.63 -0.01 0.00 0.41 0.00 0.00 41.25 39.06 3hd8 s ASN 141 CO 0.18 -0.69 -0.04 0.00 -1.51 0.00 0.00 177.10 175.05 3hd8 s ALA 142 N -0.21 0.27 -0.07 0.60 0.00 0.44 -4.98 121.76 117.80 3hd8 s ALA 142 Ca 0.58 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.30 3hd8 s ALA 142 Cb -0.42 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 3hd8 s ALA 142 CO 0.46 0.02 -0.14 0.99 0.00 0.00 0.00 175.76 177.08 3hd8 s THR 143 N -0.41 3.04 -0.32 0.00 2.01 -1.26 -1.51 115.64 117.19 3hd8 s THR 143 Ca -0.02 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.25 3hd8 s THR 143 Cb -0.03 -2.21 0.06 0.00 0.01 0.00 0.00 72.50 70.33 3hd8 s THR 143 CO -0.00 0.57 0.03 -0.63 -0.69 0.00 0.00 174.62 173.90 3hd8 s ILE 144 N -0.41 2.96 -1.16 1.82 1.01 0.19 -4.74 121.20 120.87 3hd8 s ILE 144 Ca 0.05 -1.57 -0.16 0.00 0.00 0.00 0.00 60.65 58.96 3hd8 s ILE 144 Cb -0.12 -2.79 0.13 0.00 0.01 0.00 0.00 42.46 39.69 3hd8 s ILE 144 CO 0.02 -0.24 1.44 -0.89 0.00 0.00 0.00 174.94 175.27 3hd8 s THR 145 N 1.20 4.70 0.63 2.92 2.01 -1.26 -1.70 115.64 124.15 3hd8 s THR 145 Ca -0.02 -2.14 0.27 0.00 0.31 0.00 0.00 61.69 60.11 3hd8 s THR 145 Cb -0.20 -4.96 0.31 0.00 0.01 0.00 0.00 72.50 67.67 3hd8 s THR 145 CO -0.02 -1.71 1.81 0.15 -0.69 0.00 0.00 174.62 174.16 3hd8 h PHE 146 N 7.77 0.00 -0.42 4.92 3.57 -1.82 -1.39 116.94 129.58 3hd8 h PHE 146 Ca 0.30 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.69 3hd8 h PHE 146 Cb 0.91 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 3hd8 h PHE 146 CO 1.19 0.00 -0.20 1.79 -2.23 0.00 0.00 178.31 178.86 3hd8 h THR 147 N 0.00 1.27 -0.91 4.41 1.35 -1.76 -1.34 112.91 115.94 3hd8 h THR 147 Ca 0.11 -1.32 0.11 0.00 -0.55 0.00 0.00 66.41 64.77 3hd8 h THR 147 Cb 1.09 1.16 -0.07 0.00 -1.73 0.00 0.00 68.15 68.61 3hd8 h THR 147 CO -0.00 0.44 0.58 0.78 -0.25 0.00 0.00 175.52 177.08 3hd8 h ASN 148 N 0.71 0.78 -0.00 5.36 -0.26 -1.58 0.29 115.58 120.88 3hd8 h ASN 148 Ca 0.10 0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.85 3hd8 h ASN 148 Cb 0.72 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.85 3hd8 h ASN 148 CO 0.06 0.44 -0.07 0.45 -1.06 0.00 0.00 177.43 177.24 3hd8 h HIS 149 N 0.85 0.08 -0.41 1.19 3.86 -1.51 -2.46 115.15 116.76 3hd8 h HIS 149 Ca 0.43 -0.04 0.09 0.00 -1.16 0.00 0.00 60.37 59.69 3hd8 h HIS 149 Cb 0.50 -0.01 -0.09 0.00 1.06 0.00 0.00 27.41 28.87 3hd8 h HIS 149 CO -0.00 0.81 -0.23 0.28 0.86 0.00 0.00 177.93 179.65 3hd8 h VAL 150 N -0.68 0.36 -0.47 2.45 2.07 -0.70 0.11 116.25 119.39 3hd8 h VAL 150 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3hd8 h VAL 150 Cb 0.83 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3hd8 h VAL 150 CO 0.01 0.00 0.26 0.78 0.02 0.00 0.00 177.57 178.65 3hd8 h ASN 151 N -0.16 0.59 -0.34 0.57 2.35 -0.55 0.17 115.58 118.21 3hd8 h ASN 151 Ca 0.20 -0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 55.77 3hd8 h ASN 151 Cb 0.47 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 3hd8 h ASN 151 CO -0.50 0.50 -0.08 0.00 -1.65 0.00 0.00 177.43 175.69 3hd8 h ALA 152 N 1.11 1.04 -0.37 -0.83 0.00 -1.07 -0.50 119.26 118.64 3hd8 h ALA 152 Ca 0.17 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3hd8 h ALA 152 Cb 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3hd8 h ALA 152 CO -0.03 0.58 0.06 -1.49 0.00 0.00 0.00 179.25 178.38 3hd8 h TRP 153 N 0.69 0.66 -0.77 0.00 6.55 -0.45 -3.02 115.95 119.60 3hd8 h TRP 153 Ca 0.12 -0.09 0.03 0.00 0.95 0.00 0.00 58.89 59.90 3hd8 h TRP 153 Cb 0.55 -0.18 -0.05 0.00 -0.86 0.00 0.00 29.16 28.62 3hd8 h TRP 153 CO 0.03 0.66 0.49 -0.22 -1.05 0.00 0.00 178.44 178.35 3hd8 h LYS 154 N 0.46 0.93 0.00 0.49 3.64 -0.55 -0.24 116.57 121.30 3hd8 h LYS 154 Ca 0.11 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3hd8 h LYS 154 Cb 0.35 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3hd8 h LYS 154 CO 0.01 0.62 0.00 -1.13 -2.27 0.00 0.00 179.45 176.67 3hd8 n SER 155 N -4.61 0.12 -0.43 4.20 3.41 -0.23 -1.76 113.62 114.31 3hd8 n SER 155 Ca 0.09 0.55 0.07 0.00 -0.26 0.00 0.00 58.87 59.32 3hd8 n SER 155 Cb 0.08 -0.57 0.18 0.00 -0.26 0.00 0.00 64.21 63.65 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 -1.66 0.16 -1.01 7.33 8.25 -0.24 -4.96 115.22 123.09 3hd8 n HIS 156 Ca 0.01 -1.24 -0.00 0.00 -0.26 0.00 0.00 57.72 56.22 3hd8 n HIS 156 Cb 0.05 -0.23 -0.00 0.00 1.12 0.00 0.00 29.99 30.93 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 -1.22 0.47 3.32 -1.41 0.00 -0.72 -4.99 105.19 100.64 3hd8 n GLY 157 Ca 0.19 -0.18 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.60 3.72 -0.02 1.61 -1.94 -0.38 -5.01 119.30 116.69 3hd8 s MET 158 Ca 0.00 -2.68 -0.16 0.00 -1.71 0.00 0.00 55.69 51.13 3hd8 s MET 158 Cb 0.00 -4.43 -0.06 0.00 2.01 0.00 0.00 34.83 32.36 3hd8 s MET 158 CO 0.00 -1.27 0.44 -0.80 -0.01 0.00 0.00 175.02 173.38 3hd8 s ASN 159 N 1.84 6.81 0.52 3.03 -0.87 -1.26 -3.47 114.94 121.53 3hd8 s ASN 159 Ca 0.21 0.97 -0.09 0.00 -1.57 0.00 0.00 52.86 52.38 3hd8 s ASN 159 Cb -0.10 -2.27 -0.05 0.00 -0.02 0.00 0.00 41.25 38.81 3hd8 s ASN 159 CO -0.09 0.25 0.88 -0.76 -2.57 0.00 0.00 177.10 174.81 3hd8 s LEU 160 N -0.70 3.53 0.89 0.60 1.43 -1.26 -4.94 118.68 118.23 3hd8 s LEU 160 Ca 0.25 1.18 -0.11 0.00 -1.03 0.00 0.00 54.13 54.42 3hd8 s LEU 160 Cb -0.17 -4.15 0.13 0.00 0.03 0.00 0.00 46.19 42.03 3hd8 s LEU 160 CO 0.13 -0.65 1.11 -0.83 0.23 0.00 0.00 176.35 176.34 3hd8 s GLY 161 N -3.89 1.66 0.14 -3.19 0.00 -1.24 -4.69 107.32 96.10 3hd8 s GLY 161 Ca 0.51 0.31 0.26 0.00 0.00 0.00 0.00 44.72 45.80 3hd8 s GLY 161 CO 0.45 0.74 1.81 -1.14 0.00 0.00 0.00 173.10 174.96 3hd8 n SER 162 N -4.03 0.51 -4.05 1.64 3.41 -0.75 -4.76 113.62 105.59 3hd8 n SER 162 Ca 0.09 0.55 -0.26 0.00 -0.26 0.00 0.00 58.87 59.00 3hd8 n SER 162 Cb 0.53 -0.69 -0.17 0.00 -0.26 0.00 0.00 64.21 63.62 3hd8 n SER 162 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hd8 s ASN 163 N -3.96 1.96 -0.21 4.04 6.03 -1.09 -5.03 114.94 116.69 3hd8 s ASN 163 Ca 0.11 -0.34 -0.06 0.00 -1.03 0.00 0.00 52.86 51.55 3hd8 s ASN 163 Cb 0.14 -0.91 -0.03 0.00 -3.03 0.00 0.00 41.25 37.43 3hd8 s ASN 163 CO 0.55 0.05 0.02 0.26 -2.03 0.00 0.00 177.10 175.95 3hd8 s TRP 164 N 0.62 3.06 0.00 1.54 0.52 -1.26 -0.96 118.94 122.46 3hd8 s TRP 164 Ca -0.15 -0.43 0.00 0.00 0.02 0.00 0.00 56.10 55.54 3hd8 s TRP 164 Cb -0.16 -2.12 0.00 0.00 -1.15 0.00 0.00 33.47 30.04 3hd8 s TRP 164 CO 0.04 -0.26 0.00 0.00 0.02 0.00 0.00 176.95 176.76 3hd8 n ALA 165 N 4.39 0.00 -1.29 0.98 0.00 -0.70 -3.68 120.51 120.21 3hd8 n ALA 165 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.95 3hd8 n ALA 165 Cb 0.52 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.05 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 2.63 2.43 -0.25 0.00 -0.85 -1.16 -0.24 117.35 119.90 3hd8 s TYR 166 Ca 0.00 1.59 -0.02 0.00 -0.52 0.00 0.00 57.07 58.12 3hd8 s TYR 166 Cb 0.00 -3.17 0.13 0.00 0.38 0.00 0.00 41.96 39.31 3hd8 s TYR 166 CO 0.00 -1.96 0.35 -1.14 -1.52 0.00 0.00 175.55 171.28 3hd8 s GLN 167 N -4.49 0.33 0.05 -3.49 0.74 -0.77 -2.02 119.66 110.02 3hd8 s GLN 167 Ca 0.65 0.34 0.05 0.00 0.05 0.00 0.00 55.36 56.45 3hd8 s GLN 167 Cb -0.20 -0.58 -0.02 0.00 1.10 0.00 0.00 33.01 33.31 3hd8 s GLN 167 CO 0.50 -0.75 -0.14 0.14 -0.55 0.00 0.00 175.29 174.49 3hd8 s VAL 168 N 2.49 1.10 -0.51 1.34 -7.23 0.51 -0.75 120.40 117.36 3hd8 s VAL 168 Ca 0.11 -1.12 -0.22 0.00 -1.81 0.00 0.00 61.98 58.93 3hd8 s VAL 168 Cb -0.15 -1.03 0.04 0.00 0.56 0.00 0.00 36.38 35.80 3hd8 s VAL 168 CO -0.20 -0.09 0.79 -0.32 -0.31 0.00 0.00 175.10 174.97 3hd8 s MET 169 N -1.39 3.28 0.28 4.82 1.75 -0.25 -1.51 119.30 126.29 3hd8 s MET 169 Ca 0.00 -0.42 0.09 0.00 -1.25 0.00 0.00 55.69 54.12 3hd8 s MET 169 Cb -0.09 -4.03 -0.04 0.00 2.84 0.00 0.00 34.83 33.51 3hd8 s MET 169 CO 0.02 -1.29 0.01 0.00 -0.65 0.00 0.00 175.02 173.11 3hd8 s ALA 170 N 3.33 3.20 -0.22 4.11 0.00 0.29 -2.99 121.76 129.48 3hd8 s ALA 170 Ca 0.25 -1.70 -0.01 0.00 0.00 0.00 0.00 51.96 50.49 3hd8 s ALA 170 Cb -0.14 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.27 3hd8 s ALA 170 CO 0.18 0.22 -0.10 0.99 0.00 0.00 0.00 175.76 177.05 3hd8 s THR 171 N -2.36 2.74 -0.09 0.00 2.01 0.15 -1.90 115.64 116.20 3hd8 s THR 171 Ca 0.32 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.46 3hd8 s THR 171 Cb -0.05 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 3hd8 s THR 171 CO 0.20 0.34 -0.18 -0.70 -0.69 0.00 0.00 174.62 173.60 3hd8 s GLU 172 N 1.35 2.95 0.02 4.92 2.12 -0.40 -0.28 118.70 129.37 3hd8 s GLU 172 Ca 0.03 -0.77 0.03 0.00 0.36 0.00 0.00 54.97 54.61 3hd8 s GLU 172 Cb -0.15 -2.41 -0.01 0.00 0.26 0.00 0.00 34.13 31.81 3hd8 s GLU 172 CO -0.07 0.34 -0.09 0.20 -0.54 0.00 0.00 175.26 175.10 3hd8 s GLY 173 N -0.01 0.48 -0.16 -1.50 0.00 -0.86 0.35 107.32 105.61 3hd8 s GLY 173 Ca -0.06 -0.53 -0.24 0.00 0.00 0.00 0.00 44.72 43.89 3hd8 s GLY 173 CO 0.05 -0.51 0.62 -0.47 0.00 0.00 0.00 173.10 172.78 3hd8 s TYR 174 N -0.63 -0.64 -1.08 1.90 5.04 -0.49 -2.02 117.35 119.43 3hd8 s TYR 174 Ca -0.01 1.41 -0.29 0.00 -2.44 0.00 0.00 57.07 55.75 3hd8 s TYR 174 Cb -0.06 0.28 0.04 0.00 0.35 0.00 0.00 41.96 42.57 3hd8 s TYR 174 CO 0.00 -0.42 0.54 1.04 -1.34 0.00 0.00 175.55 175.37 3hd8 n GLN 175 N 2.07 -0.35 -3.83 4.97 1.13 -0.42 -3.33 117.38 117.63 3hd8 n GLN 175 Ca -0.16 -0.02 -0.06 0.00 -1.94 0.00 0.00 57.00 54.82 3hd8 n GLN 175 Cb 0.56 -2.06 0.01 0.00 0.11 0.00 0.00 30.24 28.86 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 -3.77 -0.06 0.25 1.08 1.04 -1.21 -4.36 113.70 106.67 3hd8 s SER 176 Ca 0.40 -0.83 0.07 0.00 0.48 0.00 0.00 55.95 56.07 3hd8 s SER 176 Cb -0.22 0.69 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 3hd8 s SER 176 CO 0.85 -1.34 -0.10 -0.44 0.98 0.00 0.00 173.24 173.19 3hd8 s SER 177 N -3.12 2.71 0.00 7.02 0.01 -0.91 -1.46 113.70 117.94 3hd8 s SER 177 Ca 0.16 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 56.31 3hd8 s SER 177 Cb -0.04 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.03 3hd8 s SER 177 CO 0.08 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.08 3hd8 n GLY 178 N -0.50 1.39 3.07 3.44 0.00 0.23 -0.67 105.19 112.14 3hd8 n GLY 178 Ca -0.06 -0.93 -0.18 0.00 0.00 0.00 0.00 46.02 44.85 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 1.23 -0.01 1.61 0.01 -0.72 0.35 113.70 116.17 3hd8 s SER 179 Ca 0.00 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.95 3hd8 s SER 179 Cb 0.00 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.14 3hd8 s SER 179 CO 0.00 0.04 -0.01 -0.55 0.41 0.00 0.00 173.24 173.13 3hd8 s SER 180 N -0.72 0.15 -0.12 2.44 0.15 0.66 -1.44 113.70 114.82 3hd8 s SER 180 Ca 0.01 -0.02 -0.03 0.00 0.70 0.00 0.00 55.95 56.62 3hd8 s SER 180 Cb -0.06 -0.04 0.04 0.00 -1.71 0.00 0.00 66.02 64.26 3hd8 s SER 180 CO 0.00 -0.01 0.04 0.21 1.20 0.00 0.00 173.24 174.69 3hd8 s ASN 181 N 0.16 2.04 -0.04 5.45 3.84 0.32 -0.95 114.94 125.76 3hd8 s ASN 181 Ca -0.01 -0.38 0.03 0.00 0.21 0.00 0.00 52.86 52.71 3hd8 s ASN 181 Cb -0.03 -0.38 0.00 0.00 -0.55 0.00 0.00 41.25 40.30 3hd8 s ASN 181 CO -0.00 -0.27 -0.12 -0.69 -2.79 0.00 0.00 177.10 173.23 3hd8 s VAL 182 N 2.02 1.02 -0.15 -5.21 1.01 -0.50 0.16 120.40 118.74 3hd8 s VAL 182 Ca 0.03 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.56 3hd8 s VAL 182 Cb -0.14 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.35 3hd8 s VAL 182 CO -0.06 0.31 -0.21 -0.89 0.00 0.00 0.00 175.10 174.24 3hd8 s THR 183 N 0.27 2.05 -0.07 3.92 2.01 -0.13 -0.88 115.64 122.82 3hd8 s THR 183 Ca -0.06 -0.97 -0.00 0.00 0.31 0.00 0.00 61.69 60.97 3hd8 s THR 183 Cb -0.11 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 3hd8 s THR 183 CO 0.02 0.55 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.77 3hd8 s VAL 184 N 0.93 4.03 0.00 3.82 1.01 -0.19 -0.65 120.40 129.34 3hd8 s VAL 184 Ca -0.04 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3hd8 s VAL 184 Cb -0.15 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.54 3hd8 s VAL 184 CO -0.05 0.57 0.07 -2.67 0.00 0.00 0.00 175.10 173.03