#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tvb n ILE 1 N 0.00 0.68 -4.04 1.12 5.41 -1.26 -5.02 119.36 116.24 1tvb n ILE 1 Ca 0.00 -0.17 -0.16 0.00 1.00 0.00 0.00 62.75 63.42 1tvb n ILE 1 Cb 0.00 -1.82 -0.15 0.00 -0.71 0.00 0.00 39.64 36.95 1tvb n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1tvb s GLN 2 N 0.03 0.38 -0.02 0.38 -0.21 -1.26 -4.43 119.66 114.52 1tvb s GLN 2 Ca 0.69 -0.06 0.03 0.00 0.02 0.00 0.00 55.36 56.04 1tvb s GLN 2 Cb -0.55 -0.44 -0.00 0.00 1.00 0.00 0.00 33.01 33.02 1tvb s GLN 2 CO 0.44 -0.01 -0.11 1.03 -2.12 0.00 0.00 175.29 174.51 1tvb s ARG 3 N 0.43 1.08 0.16 2.91 0.52 0.57 -4.92 118.95 119.69 1tvb s ARG 3 Ca -0.04 -0.40 -0.29 0.00 -0.52 0.00 0.00 55.73 54.47 1tvb s ARG 3 Cb -0.08 -1.01 -0.07 0.00 0.52 0.00 0.00 34.95 34.32 1tvb s ARG 3 CO -0.01 0.20 0.91 0.99 0.02 0.00 0.00 175.30 177.41 1tvb s THR 4 N -0.04 4.35 0.30 0.02 2.01 -1.26 -1.66 115.64 119.36 1tvb s THR 4 Ca 0.00 2.00 -0.29 0.00 0.31 0.00 0.00 61.69 63.71 1tvb s THR 4 Cb -0.07 -4.29 -0.10 0.00 0.01 0.00 0.00 72.50 68.05 1tvb s THR 4 CO 0.00 0.41 1.28 -2.16 -0.69 0.00 0.00 174.62 173.46 1tvb s PRO 5 N -0.56 4.41 -0.29 4.92 0.04 -1.26 -4.30 135.00 137.96 1tvb s PRO 5 Ca 0.43 2.12 -0.14 0.00 0.04 0.00 0.00 61.00 63.45 1tvb s PRO 5 Cb -0.24 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 1tvb s PRO 5 CO 0.30 -0.14 0.34 0.15 0.04 0.00 0.00 177.00 177.69 1tvb s LYS 6 N -1.40 3.88 -0.14 4.56 3.01 0.02 -4.92 119.74 124.74 1tvb s LYS 6 Ca 0.50 -0.15 -0.02 0.00 -1.01 0.00 0.00 55.97 55.29 1tvb s LYS 6 Cb -0.38 -3.70 -0.02 0.00 -1.01 0.00 0.00 37.83 32.72 1tvb s LYS 6 CO 0.48 -0.33 -0.07 0.42 0.51 0.00 0.00 175.35 176.35 1tvb s ILE 7 N 2.01 3.57 -0.06 2.17 1.01 -1.26 -1.99 121.20 126.65 1tvb s ILE 7 Ca 0.13 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.33 1tvb s ILE 7 Cb -0.16 -2.54 0.01 0.00 0.01 0.00 0.00 42.46 39.78 1tvb s ILE 7 CO 0.11 0.51 -0.13 -1.10 0.00 0.00 0.00 174.94 174.33 1tvb s GLN 8 N 0.31 1.70 -0.14 2.79 -0.21 -0.26 -4.98 119.66 118.87 1tvb s GLN 8 Ca -0.06 -0.44 0.01 0.00 0.02 0.00 0.00 55.36 54.90 1tvb s GLN 8 Cb -0.15 -1.41 0.00 0.00 1.00 0.00 0.00 33.01 32.45 1tvb s GLN 8 CO 0.04 0.06 -0.18 0.08 -2.12 0.00 0.00 175.29 173.16 1tvb s VAL 9 N 0.57 2.43 0.15 1.09 1.01 -1.26 -0.72 120.40 123.67 1tvb s VAL 9 Ca -0.13 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 60.74 1tvb s VAL 9 Cb -0.15 -2.00 0.06 0.00 0.00 0.00 0.00 36.38 34.30 1tvb s VAL 9 CO 0.04 0.53 0.83 -0.72 0.00 0.00 0.00 175.10 175.78 1tvb s TYR 10 N 0.69 -0.26 0.16 5.22 1.13 -0.52 -4.60 117.35 119.16 1tvb s TYR 10 Ca -0.09 -0.02 -0.02 0.00 -1.41 0.00 0.00 57.07 55.54 1tvb s TYR 10 Cb -0.16 0.62 -0.05 0.00 -1.10 0.00 0.00 41.96 41.27 1tvb s TYR 10 CO 0.01 -0.86 0.35 -1.54 -2.51 0.00 0.00 175.55 171.01 1tvb s SER 11 N -2.80 6.41 0.18 -0.18 1.04 -1.26 -0.30 113.70 116.79 1tvb s SER 11 Ca 0.08 0.42 -0.13 0.00 0.48 0.00 0.00 55.95 56.80 1tvb s SER 11 Cb -0.02 -2.02 0.10 0.00 0.10 0.00 0.00 66.02 64.18 1tvb s SER 11 CO -0.02 0.02 1.82 -0.09 0.98 0.00 0.00 173.24 175.95 1tvb h ARG 12 N 2.40 0.63 -6.24 4.02 2.43 -1.59 -3.45 114.38 112.58 1tvb h ARG 12 Ca -0.47 -0.04 -0.60 0.00 -0.81 0.00 0.00 59.98 58.07 1tvb h ARG 12 Cb 1.18 -0.14 -0.16 0.00 -0.42 0.00 0.00 29.97 30.43 1tvb h ARG 12 CO 0.70 0.42 -0.78 -1.01 -1.51 0.00 0.00 179.97 177.79 1tvb s HIS 13 N -6.14 2.17 0.08 2.20 3.76 -1.26 -5.04 115.29 111.05 1tvb s HIS 13 Ca -0.13 -0.38 -0.35 0.00 -0.15 0.00 0.00 55.06 54.05 1tvb s HIS 13 Cb 0.13 -1.01 -0.14 0.00 1.11 0.00 0.00 32.58 32.67 1tvb s HIS 13 CO 0.74 0.55 1.57 -2.30 -0.85 0.00 0.00 174.74 174.45 1tvb n PRO 14 N -0.16 1.82 -2.30 8.40 -0.02 -1.26 -4.88 135.00 136.59 1tvb n PRO 14 Ca -0.09 0.66 -0.40 0.00 -2.02 0.00 0.00 63.50 61.64 1tvb n PRO 14 Cb 0.58 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 1tvb n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tvb s ALA 15 N 1.41 3.45 -0.04 3.55 0.00 -1.26 -5.04 121.76 123.84 1tvb s ALA 15 Ca 0.84 1.08 -0.01 0.00 0.00 0.00 0.00 51.96 53.86 1tvb s ALA 15 Cb -0.78 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 18.97 1tvb s ALA 15 CO 0.44 -0.40 0.07 -2.00 0.00 0.00 0.00 175.76 173.87 1tvb s GLU 16 N -1.60 -0.02 0.01 0.00 2.12 -1.26 -5.11 118.70 112.84 1tvb s GLU 16 Ca 0.47 0.31 -0.33 0.00 0.36 0.00 0.00 54.97 55.78 1tvb s GLU 16 Cb -0.36 -0.31 -0.11 0.00 0.26 0.00 0.00 34.13 33.60 1tvb s GLU 16 CO 0.47 -0.23 1.84 0.09 -0.54 0.00 0.00 175.26 176.89 1tvb n ASN 17 N 4.62 3.60 0.00 -1.70 5.03 -1.26 -2.12 115.26 123.43 1tvb n ASN 17 Ca -0.18 0.98 0.00 0.00 0.87 0.00 0.00 54.58 56.25 1tvb n ASN 17 Cb 0.50 -1.43 0.00 0.00 -1.02 0.00 0.00 39.78 37.83 1tvb n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1tvb n GLY 18 N 4.24 0.52 3.28 7.41 0.00 -0.23 -5.00 105.19 115.41 1tvb n GLY 18 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1tvb n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1tvb s LYS 19 N -0.90 3.26 0.71 1.61 2.20 -0.90 -4.99 119.74 120.72 1tvb s LYS 19 Ca 0.00 -0.72 -0.15 0.00 -0.36 0.00 0.00 55.97 54.73 1tvb s LYS 19 Cb 0.00 -2.67 0.03 0.00 -1.51 0.00 0.00 37.83 33.68 1tvb s LYS 19 CO 0.00 0.02 1.21 -1.54 -0.36 0.00 0.00 175.35 174.67 1tvb s SER 20 N 0.83 4.34 0.15 1.43 1.04 -1.26 -4.26 113.70 115.98 1tvb s SER 20 Ca -0.04 2.35 -0.08 0.00 0.48 0.00 0.00 55.95 58.66 1tvb s SER 20 Cb -0.15 -2.59 0.03 0.00 0.10 0.00 0.00 66.02 63.41 1tvb s SER 20 CO -0.00 -2.16 0.39 -3.20 0.98 0.00 0.00 173.24 169.25 1tvb n ASN 21 N -2.58 -0.97 -4.04 7.02 2.85 0.28 -4.99 115.26 112.83 1tvb n ASN 21 Ca 0.13 -1.63 -0.23 0.00 -0.11 0.00 0.00 54.58 52.74 1tvb n ASN 21 Cb 0.50 1.61 -0.16 0.00 1.24 0.00 0.00 39.78 42.97 1tvb n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1tvb s PHE 22 N -5.41 1.28 -0.14 1.20 0.40 -1.26 -1.57 117.98 112.48 1tvb s PHE 22 Ca 0.08 -0.38 -0.14 0.00 -0.60 0.00 0.00 56.93 55.89 1tvb s PHE 22 Cb -0.02 -0.91 -0.05 0.00 0.51 0.00 0.00 43.02 42.55 1tvb s PHE 22 CO 0.05 -0.17 0.32 -1.17 0.70 0.00 0.00 175.22 174.95 1tvb s LEU 23 N 0.31 4.27 -0.02 -0.37 2.96 0.83 -1.33 118.68 125.33 1tvb s LEU 23 Ca -0.07 0.58 0.07 0.00 -0.22 0.00 0.00 54.13 54.49 1tvb s LEU 23 Cb -0.12 -2.42 -0.02 0.00 0.50 0.00 0.00 46.19 44.13 1tvb s LEU 23 CO 0.02 0.12 -0.23 0.20 -1.32 0.00 0.00 176.35 175.13 1tvb s ASN 24 N 0.30 3.26 -0.20 3.68 0.01 0.59 -1.70 114.94 120.88 1tvb s ASN 24 Ca 0.18 -0.42 0.01 0.00 -0.71 0.00 0.00 52.86 51.92 1tvb s ASN 24 Cb -0.13 -0.45 0.04 0.00 0.41 0.00 0.00 41.25 41.12 1tvb s ASN 24 CO 0.05 0.32 -0.10 0.00 -1.51 0.00 0.00 177.10 175.87 1tvb s TYR 26 N 1.41 3.08 -0.11 0.00 5.04 0.10 -1.07 117.35 125.80 1tvb s TYR 26 Ca -0.01 -0.25 0.04 0.00 -2.44 0.00 0.00 57.07 54.41 1tvb s TYR 26 Cb -0.16 -2.01 0.00 0.00 0.35 0.00 0.00 41.96 40.14 1tvb s TYR 26 CO -0.08 -0.03 -0.23 0.14 -1.34 0.00 0.00 175.55 174.01 1tvb s VAL 27 N 0.48 2.03 0.18 3.14 -7.23 0.03 -1.10 120.40 117.93 1tvb s VAL 27 Ca -0.02 -1.00 -0.02 0.00 -1.81 0.00 0.00 61.98 59.13 1tvb s VAL 27 Cb -0.14 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 1tvb s VAL 27 CO 0.02 0.55 0.14 -0.94 -0.31 0.00 0.00 175.10 174.57 1tvb s SER 28 N 0.44 0.18 0.00 4.85 1.04 -0.84 -1.05 113.70 118.31 1tvb s SER 28 Ca -0.17 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.00 1tvb s SER 28 Cb -0.17 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1tvb s SER 28 CO 0.07 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1tvb n GLY 29 N -0.22 0.50 3.94 7.32 0.00 -0.51 -0.80 105.19 115.43 1tvb n GLY 29 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1tvb n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1tvb s PHE 30 N -2.12 3.44 -0.28 1.61 -0.71 -1.13 -4.24 117.98 114.55 1tvb s PHE 30 Ca 0.00 0.04 -0.19 0.00 -1.04 0.00 0.00 56.93 55.75 1tvb s PHE 30 Cb 0.00 -1.61 0.09 0.00 -1.21 0.00 0.00 43.02 40.29 1tvb s PHE 30 CO 0.00 0.48 0.77 -1.58 -1.34 0.00 0.00 175.22 173.55 1tvb s HIS 31 N -1.86 -0.88 0.63 3.49 2.46 -0.67 -0.67 115.29 117.79 1tvb s HIS 31 Ca 0.34 1.86 -0.11 0.00 0.47 0.00 0.00 55.06 57.63 1tvb s HIS 31 Cb -0.10 0.49 0.15 0.00 -0.13 0.00 0.00 32.58 32.99 1tvb s HIS 31 CO 0.28 -0.44 0.66 -0.35 -2.47 0.00 0.00 174.74 172.43 1tvb n PRO 32 N 3.71 -1.63 0.16 2.88 -0.04 -1.26 -0.32 135.00 138.50 1tvb n PRO 32 Ca -0.18 -1.05 0.13 0.00 -0.04 0.00 0.00 63.50 62.36 1tvb n PRO 32 Cb 0.58 -0.86 0.34 0.00 -0.04 0.00 0.00 33.50 33.52 1tvb n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1tvb h SER 33 N -1.58 0.00 -3.31 3.54 4.64 -2.00 -3.45 113.55 111.39 1tvb h SER 33 Ca -0.23 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.56 1tvb h SER 33 Cb 0.69 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.79 1tvb h SER 33 CO 0.16 0.00 0.60 -1.81 -0.87 0.00 0.00 176.83 174.91 1tvb s ASP 34 N -5.16 7.00 -0.18 4.97 1.01 -1.26 -4.97 116.67 118.09 1tvb s ASP 34 Ca 0.09 2.23 -0.28 0.00 0.71 0.00 0.00 52.55 55.29 1tvb s ASP 34 Cb 0.09 -2.60 0.09 0.00 1.01 0.00 0.00 42.92 41.52 1tvb s ASP 34 CO 0.61 -0.47 0.83 -0.51 0.21 0.00 0.00 175.17 175.83 1tvb s ILE 35 N 0.45 0.00 -0.15 0.77 2.07 -1.26 -4.66 121.20 118.42 1tvb s ILE 35 Ca 0.57 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.82 1tvb s ILE 35 Cb -0.33 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.26 1tvb s ILE 35 CO 0.34 0.00 -0.18 -0.70 -1.91 0.00 0.00 174.94 172.49 1tvb s GLU 36 N -0.46 3.13 -0.08 3.50 2.12 -0.59 -4.99 118.70 121.32 1tvb s GLU 36 Ca -0.03 -0.79 0.01 0.00 0.36 0.00 0.00 54.97 54.52 1tvb s GLU 36 Cb -0.02 -2.55 0.02 0.00 0.26 0.00 0.00 34.13 31.83 1tvb s GLU 36 CO 0.03 -0.00 -0.11 0.08 -0.54 0.00 0.00 175.26 174.71 1tvb s VAL 37 N 0.83 1.14 -0.01 3.70 1.01 -1.26 -0.90 120.40 124.91 1tvb s VAL 37 Ca -0.06 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.52 1tvb s VAL 37 Cb -0.15 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 1tvb s VAL 37 CO -0.01 0.37 -0.14 -1.81 0.00 0.00 0.00 175.10 173.50 1tvb s ASP 38 N 0.99 1.70 0.04 3.32 1.01 0.34 -4.96 116.67 119.10 1tvb s ASP 38 Ca -0.08 -0.26 -0.18 0.00 0.71 0.00 0.00 52.55 52.74 1tvb s ASP 38 Cb -0.15 -0.20 -0.06 0.00 1.01 0.00 0.00 42.92 43.52 1tvb s ASP 38 CO -0.00 0.17 0.51 -0.76 0.21 0.00 0.00 175.17 175.31 1tvb s LEU 39 N -0.32 4.49 0.07 1.23 1.43 -1.26 -0.21 118.68 124.12 1tvb s LEU 39 Ca 0.05 1.14 0.10 0.00 -1.03 0.00 0.00 54.13 54.39 1tvb s LEU 39 Cb -0.06 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 1tvb s LEU 39 CO -0.00 0.27 -0.26 -0.76 0.23 0.00 0.00 176.35 175.82 1tvb s LEU 40 N -0.97 2.22 -0.16 1.79 1.43 0.13 -0.83 118.68 122.29 1tvb s LEU 40 Ca 0.27 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1tvb s LEU 40 Cb -0.18 -1.24 0.03 0.00 0.03 0.00 0.00 46.19 44.83 1tvb s LEU 40 CO 0.17 0.22 -0.11 -0.75 0.23 0.00 0.00 176.35 176.11 1tvb s LYS 41 N -1.51 2.00 -1.55 1.70 2.20 0.08 -1.69 119.74 120.96 1tvb s LYS 41 Ca 0.12 -0.58 -0.10 0.00 -0.36 0.00 0.00 55.97 55.05 1tvb s LYS 41 Cb -0.10 -2.10 0.08 0.00 -1.51 0.00 0.00 37.83 34.20 1tvb s LYS 41 CO 0.03 -0.32 0.67 0.09 -0.36 0.00 0.00 175.35 175.46 1tvb n ASN 42 N 4.79 -2.30 0.00 1.43 3.02 0.13 -1.60 115.26 120.72 1tvb n ASN 42 Ca -0.15 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 1tvb n ASN 42 Cb 0.49 -3.07 0.00 0.00 -0.61 0.00 0.00 39.78 36.59 1tvb n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tvb n GLY 43 N -1.68 1.33 3.79 7.41 0.00 -1.26 -5.01 105.19 109.76 1tvb n GLY 43 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1tvb n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tvb s GLU 44 N -0.08 3.60 0.17 1.61 2.12 -0.63 -5.02 118.70 120.47 1tvb s GLU 44 Ca 0.00 -0.21 -0.31 0.00 0.36 0.00 0.00 54.97 54.80 1tvb s GLU 44 Cb 0.00 -3.19 -0.11 0.00 0.26 0.00 0.00 34.13 31.09 1tvb s GLU 44 CO 0.00 0.61 1.79 0.50 -0.54 0.00 0.00 175.26 177.62 1tvb s ARG 45 N -0.56 4.13 -0.30 4.30 3.52 -1.26 -0.75 118.95 128.04 1tvb s ARG 45 Ca 0.12 2.62 -0.27 0.00 -0.13 0.00 0.00 55.73 58.07 1tvb s ARG 45 Cb -0.12 -3.35 0.01 0.00 -1.56 0.00 0.00 34.95 29.93 1tvb s ARG 45 CO 0.02 -0.81 0.95 0.42 -0.81 0.00 0.00 175.30 175.07 1tvb s ILE 46 N 2.01 4.66 -0.03 4.11 1.01 -0.01 -4.88 121.20 128.07 1tvb s ILE 46 Ca 0.78 1.57 0.14 0.00 0.00 0.00 0.00 60.65 63.14 1tvb s ILE 46 Cb -0.48 -4.28 0.03 0.00 0.01 0.00 0.00 42.46 37.74 1tvb s ILE 46 CO 0.34 -0.32 1.49 -0.33 0.00 0.00 0.00 174.94 176.12 1tvb h GLU 47 N 7.98 0.00 -3.42 2.79 5.08 -1.93 -3.39 114.58 121.69 1tvb h GLU 47 Ca -0.22 0.00 -0.77 0.00 -1.00 0.00 0.00 59.36 57.37 1tvb h GLU 47 Cb 1.08 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.13 1tvb h GLU 47 CO 0.96 0.56 1.52 0.36 -1.00 0.00 0.00 179.01 181.41 1tvb n LYS 48 N -3.33 3.87 -4.37 2.33 0.00 -1.26 -4.97 118.16 110.43 1tvb n LYS 48 Ca 0.01 -3.91 -0.19 0.00 -0.00 0.00 0.00 58.31 54.21 1tvb n LYS 48 Cb 0.71 -2.79 -0.15 0.00 -0.00 0.00 0.00 35.03 32.81 1tvb n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1tvb s VAL 49 N -0.60 0.74 0.28 0.58 1.01 -1.26 -4.75 120.40 116.41 1tvb s VAL 49 Ca 0.37 -0.37 0.09 0.00 0.00 0.00 0.00 61.98 62.06 1tvb s VAL 49 Cb 0.06 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 1tvb s VAL 49 CO 0.03 0.22 0.09 -1.61 0.00 0.00 0.00 175.10 173.84 1tvb s GLU 50 N -0.01 2.48 0.16 2.72 2.02 -0.58 -4.93 118.70 120.56 1tvb s GLU 50 Ca 0.00 -1.36 0.01 0.00 0.02 0.00 0.00 54.97 53.64 1tvb s GLU 50 Cb -0.06 -2.27 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 1tvb s GLU 50 CO -0.00 0.30 0.02 -3.38 0.02 0.00 0.00 175.26 172.22 1tvb s HIS 51 N -2.31 1.07 0.81 1.61 -3.43 -1.26 -1.04 115.29 110.74 1tvb s HIS 51 Ca 0.34 -1.11 -0.12 0.00 -0.80 0.00 0.00 55.06 53.37 1tvb s HIS 51 Cb -0.06 -0.61 0.08 0.00 -1.43 0.00 0.00 32.58 30.56 1tvb s HIS 51 CO 0.22 -0.34 1.16 -1.54 -2.00 0.00 0.00 174.74 172.24 1tvb s SER 52 N -3.12 4.52 0.14 7.38 1.04 -0.02 -5.00 113.70 118.63 1tvb s SER 52 Ca 0.24 0.89 -0.28 0.00 0.48 0.00 0.00 55.95 57.28 1tvb s SER 52 Cb 0.07 -1.45 -0.07 0.00 0.10 0.00 0.00 66.02 64.67 1tvb s SER 52 CO 0.03 -1.91 0.86 -1.81 0.98 0.00 0.00 173.24 171.39 1tvb s ASP 53 N -4.44 7.44 0.12 7.02 -0.00 -1.26 -4.77 116.67 120.79 1tvb s ASP 53 Ca 0.62 1.71 -0.33 0.00 -0.00 0.00 0.00 52.55 54.55 1tvb s ASP 53 Cb -0.12 -2.54 -0.12 0.00 -0.00 0.00 0.00 42.92 40.14 1tvb s ASP 53 CO 0.50 0.08 1.75 -0.11 -0.00 0.00 0.00 175.17 177.39 1tvb n LEU 54 N 2.17 3.69 0.00 1.23 0.00 -1.26 -4.94 117.00 117.88 1tvb n LEU 54 Ca -0.02 1.02 -0.16 0.00 0.00 0.00 0.00 56.01 56.86 1tvb n LEU 54 Cb 0.49 -1.49 -0.06 0.00 0.00 0.00 0.00 43.42 42.35 1tvb n LEU 54 CO 0.49 0.01 -0.08 -0.24 0.00 0.00 0.00 177.39 177.57 1tvb n SER 55 N 4.86 -0.48 -3.81 1.96 2.88 -1.21 -5.04 113.62 112.78 1tvb n SER 55 Ca 0.18 -2.77 -0.10 0.00 -1.33 0.00 0.00 58.87 54.85 1tvb n SER 55 Cb 0.33 1.32 -0.06 0.00 -0.75 0.00 0.00 64.21 65.06 1tvb n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1tvb s PHE 56 N -3.08 0.08 0.62 0.66 -0.12 -1.26 -1.75 117.98 113.13 1tvb s PHE 56 Ca 0.31 -0.44 0.04 0.00 -0.05 0.00 0.00 56.93 56.80 1tvb s PHE 56 Cb 0.02 0.14 0.12 0.00 -0.63 0.00 0.00 43.02 42.66 1tvb s PHE 56 CO 0.22 -0.75 0.86 0.43 -0.05 0.00 0.00 175.22 175.93 1tvb n SER 57 N -0.23 1.62 0.21 1.98 7.64 -0.15 -4.93 113.62 119.75 1tvb n SER 57 Ca -0.11 -2.26 0.12 0.00 1.01 0.00 0.00 58.87 57.64 1tvb n SER 57 Cb 0.63 -0.51 0.70 0.00 -1.01 0.00 0.00 64.21 64.02 1tvb n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1tvb h LYS 58 N 0.00 0.00 -0.63 1.43 1.63 -2.03 -0.65 116.57 116.33 1tvb h LYS 58 Ca -0.29 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 1tvb h LYS 58 Cb 1.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1tvb h LYS 58 CO 0.35 0.00 0.00 -0.40 -3.45 0.00 0.00 179.45 175.95 1tvb n ASP 59 N -4.35 3.62 0.00 4.20 5.75 -1.26 -4.90 116.55 119.60 1tvb n ASP 59 Ca 0.00 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.41 1tvb n ASP 59 Cb 0.22 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 1tvb n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1tvb n TRP 60 N 0.67 0.00 -2.64 2.11 7.02 -0.25 -5.02 117.44 119.34 1tvb n TRP 60 Ca 0.18 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.32 1tvb n TRP 60 Cb 0.70 -0.39 -0.05 0.00 -2.42 0.00 0.00 31.31 29.16 1tvb n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1tvb s SER 61 N -2.80 6.67 0.43 -0.99 1.04 -1.26 -4.65 113.70 112.14 1tvb s SER 61 Ca 0.00 1.88 -0.05 0.00 0.48 0.00 0.00 55.95 58.26 1tvb s SER 61 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 1tvb s SER 61 CO 0.00 -0.55 0.73 -0.36 0.98 0.00 0.00 173.24 174.04 1tvb s PHE 62 N -1.94 3.53 0.00 5.02 0.08 0.16 -0.98 117.98 123.85 1tvb s PHE 62 Ca 0.63 0.78 -0.05 0.00 0.12 0.00 0.00 56.93 58.41 1tvb s PHE 62 Cb -0.16 -2.26 -0.00 0.00 -0.57 0.00 0.00 43.02 40.03 1tvb s PHE 62 CO 0.20 -0.15 0.09 1.52 -0.10 0.00 0.00 175.22 176.78 1tvb s TYR 63 N -2.55 0.08 -0.05 0.36 -0.85 -0.72 -1.42 117.35 112.21 1tvb s TYR 63 Ca 0.47 -0.20 -0.11 0.00 -0.52 0.00 0.00 57.07 56.72 1tvb s TYR 63 Cb -0.10 -0.08 0.02 0.00 0.38 0.00 0.00 41.96 42.18 1tvb s TYR 63 CO 0.40 -0.24 0.25 -0.51 -1.52 0.00 0.00 175.55 173.93 1tvb s LEU 64 N -1.26 1.08 -0.12 -3.49 1.43 -0.21 -3.35 118.68 112.76 1tvb s LEU 64 Ca -0.14 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1tvb s LEU 64 Cb -0.08 0.97 -0.01 0.00 0.03 0.00 0.00 46.19 47.10 1tvb s LEU 64 CO 0.01 -0.28 -0.14 -0.22 0.23 0.00 0.00 176.35 175.94 1tvb s LEU 65 N -0.74 2.64 -0.10 1.79 2.96 -1.26 -0.79 118.68 123.19 1tvb s LEU 65 Ca -0.08 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1tvb s LEU 65 Cb -0.04 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 1tvb s LEU 65 CO 0.02 0.18 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.78 1tvb s TYR 66 N 0.25 2.75 0.03 5.38 1.51 -0.23 -0.84 117.35 126.20 1tvb s TYR 66 Ca -0.10 -0.48 -0.13 0.00 -1.01 0.00 0.00 57.07 55.35 1tvb s TYR 66 Cb -0.16 -1.75 0.02 0.00 -0.11 0.00 0.00 41.96 39.96 1tvb s TYR 66 CO 0.06 -0.07 0.28 1.52 -1.11 0.00 0.00 175.55 176.23 1tvb s TYR 67 N -0.06 -0.09 0.03 2.71 1.13 -0.20 -0.52 117.35 120.35 1tvb s TYR 67 Ca -0.03 -0.02 -0.15 0.00 -1.41 0.00 0.00 57.07 55.46 1tvb s TYR 67 Cb -0.14 0.07 0.03 0.00 -1.10 0.00 0.00 41.96 40.82 1tvb s TYR 67 CO 0.04 -0.47 0.34 -0.08 -2.51 0.00 0.00 175.55 172.87 1tvb s THR 68 N -2.32 0.07 0.36 -3.49 -1.32 -0.69 -1.52 115.64 106.73 1tvb s THR 68 Ca -0.07 -0.58 -0.26 0.00 -1.21 0.00 0.00 61.69 59.58 1tvb s THR 68 Cb -0.02 -0.88 -0.09 0.00 -1.51 0.00 0.00 72.50 70.00 1tvb s THR 68 CO -0.02 -0.32 1.05 -1.61 -2.21 0.00 0.00 174.62 171.51 1tvb s GLU 69 N -2.28 4.34 0.14 7.08 2.02 -1.26 -0.12 118.70 128.62 1tvb s GLU 69 Ca -0.07 1.58 -0.17 0.00 0.02 0.00 0.00 54.97 56.33 1tvb s GLU 69 Cb -0.02 -2.75 0.04 0.00 0.10 0.00 0.00 34.13 31.50 1tvb s GLU 69 CO -0.01 0.00 0.45 -0.59 0.02 0.00 0.00 175.26 175.12 1tvb s PHE 70 N -1.51 -0.24 -0.29 1.61 -0.71 -0.61 -4.83 117.98 111.41 1tvb s PHE 70 Ca 0.53 -0.07 0.01 0.00 -1.04 0.00 0.00 56.93 56.37 1tvb s PHE 70 Cb -0.25 0.32 0.08 0.00 -1.21 0.00 0.00 43.02 41.97 1tvb s PHE 70 CO 0.31 -0.75 0.03 0.99 -1.34 0.00 0.00 175.22 174.46 1tvb s THR 71 N -3.81 1.48 0.50 -4.49 2.01 -1.26 -0.56 115.64 109.52 1tvb s THR 71 Ca 0.04 -1.57 -0.23 0.00 0.31 0.00 0.00 61.69 60.24 1tvb s THR 71 Cb 0.01 -1.97 -0.06 0.00 0.01 0.00 0.00 72.50 70.49 1tvb s THR 71 CO -0.11 -0.43 1.32 -2.16 -0.69 0.00 0.00 174.62 172.55 1tvb s PRO 72 N 1.35 3.42 0.40 4.92 0.04 -1.26 -4.78 135.00 139.09 1tvb s PRO 72 Ca 0.04 2.16 0.05 0.00 0.04 0.00 0.00 61.00 63.29 1tvb s PRO 72 Cb -0.18 -2.39 -0.02 0.00 0.04 0.00 0.00 34.50 31.95 1tvb s PRO 72 CO -0.13 -0.94 0.17 0.25 0.04 0.00 0.00 177.00 176.39 1tvb n THR 73 N -0.69 0.00 0.02 1.26 -2.24 -1.26 -1.06 114.28 110.31 1tvb n THR 73 Ca 0.08 -2.40 -0.11 0.00 -2.27 0.00 0.00 64.05 59.36 1tvb n THR 73 Cb 0.45 0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 69.55 1tvb n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1tvb h GLU 74 N 0.00 -0.05 0.00 -0.78 4.57 -1.98 -3.35 114.58 112.99 1tvb h GLU 74 Ca -0.31 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1tvb h GLU 74 Cb 1.22 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1tvb h GLU 74 CO 0.48 -0.04 -1.55 1.63 -1.18 0.00 0.00 179.01 178.35 1tvb n LYS 75 N -5.17 0.71 -2.14 1.92 5.02 -1.26 -4.94 118.16 112.30 1tvb n LYS 75 Ca -0.05 -0.12 -0.42 0.00 -2.02 0.00 0.00 58.31 55.70 1tvb n LYS 75 Cb 0.10 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 1tvb n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1tvb s ASP 76 N -3.71 6.79 -0.16 4.39 1.01 -1.26 -4.99 116.67 118.74 1tvb s ASP 76 Ca -0.03 2.33 -0.07 0.00 0.71 0.00 0.00 52.55 55.49 1tvb s ASP 76 Cb 0.12 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 1tvb s ASP 76 CO 0.76 -0.69 0.08 -1.61 0.21 0.00 0.00 175.17 173.92 1tvb s GLU 77 N 1.37 3.79 0.10 8.23 0.41 -1.26 -4.76 118.70 126.58 1tvb s GLU 77 Ca 0.66 -0.28 0.10 0.00 -0.41 0.00 0.00 54.97 55.03 1tvb s GLU 77 Cb -0.37 -3.20 -0.04 0.00 -1.78 0.00 0.00 34.13 28.75 1tvb s GLU 77 CO 0.30 0.44 -0.26 0.71 -0.49 0.00 0.00 175.26 175.95 1tvb s TYR 78 N -0.07 2.27 0.22 1.61 2.02 -1.26 0.21 117.35 122.34 1tvb s TYR 78 Ca 0.08 -0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 56.23 1tvb s TYR 78 Cb -0.12 -1.26 0.01 0.00 -0.40 0.00 0.00 41.96 40.19 1tvb s TYR 78 CO 0.01 0.27 0.51 0.00 -1.57 0.00 0.00 175.55 174.77 1tvb s ALA 79 N -0.99 -0.65 -0.04 3.71 0.00 -0.68 -0.38 121.76 122.72 1tvb s ALA 79 Ca 0.13 -0.52 0.06 0.00 0.00 0.00 0.00 51.96 51.63 1tvb s ALA 79 Cb -0.10 0.93 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 1tvb s ALA 79 CO 0.05 -0.84 -0.23 0.00 0.00 0.00 0.00 175.76 174.74 1tvb s ARG 81 N -0.28 2.85 -0.05 0.00 3.52 0.70 -1.22 118.95 124.47 1tvb s ARG 81 Ca 0.01 -0.79 0.03 0.00 -0.13 0.00 0.00 55.73 54.85 1tvb s ARG 81 Cb -0.12 -2.28 0.00 0.00 -1.56 0.00 0.00 34.95 31.00 1tvb s ARG 81 CO 0.02 0.02 -0.15 0.08 -0.81 0.00 0.00 175.30 174.45 1tvb s VAL 82 N 0.74 1.30 0.07 7.11 1.01 -0.13 -0.51 120.40 130.00 1tvb s VAL 82 Ca -0.10 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.35 1tvb s VAL 82 Cb -0.16 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1tvb s VAL 82 CO 0.01 0.38 -0.23 0.21 0.00 0.00 0.00 175.10 175.47 1tvb s ASN 83 N 0.31 2.72 0.09 3.32 3.04 -0.08 -1.25 114.94 123.09 1tvb s ASN 83 Ca -0.09 -0.61 -0.26 0.00 0.04 0.00 0.00 52.86 51.95 1tvb s ASN 83 Cb -0.13 -0.20 0.07 0.00 -1.54 0.00 0.00 41.25 39.45 1tvb s ASN 83 CO 0.03 0.15 0.66 -2.28 -3.04 0.00 0.00 177.10 172.62 1tvb s HIS 84 N -0.93 -0.54 0.58 0.43 2.46 -1.26 -1.54 115.29 114.48 1tvb s HIS 84 Ca 0.09 0.51 0.30 0.00 0.47 0.00 0.00 55.06 56.43 1tvb s HIS 84 Cb -0.09 0.52 1.82 0.00 -0.13 0.00 0.00 32.58 34.69 1tvb s HIS 84 CO 0.03 -0.75 2.25 -0.24 -2.47 0.00 0.00 174.74 173.56 1tvb h VAL 85 N 2.25 0.52 0.00 0.89 3.04 -1.94 -1.26 116.25 119.75 1tvb h VAL 85 Ca -0.31 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1tvb h VAL 85 Cb 1.26 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 1tvb h VAL 85 CO 0.37 0.01 0.00 0.35 -1.01 0.00 0.00 177.57 177.29 1tvb n THR 86 N -3.82 0.69 -3.67 3.17 -2.24 -1.26 -4.75 114.28 102.40 1tvb n THR 86 Ca -0.03 -0.08 -0.36 0.00 -2.27 0.00 0.00 64.05 61.31 1tvb n THR 86 Cb 0.09 -0.82 -0.08 0.00 -2.10 0.00 0.00 70.33 67.41 1tvb n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1tvb s LEU 87 N -4.55 4.18 0.26 3.22 1.43 -0.48 -4.98 118.68 117.76 1tvb s LEU 87 Ca 0.08 0.23 0.25 0.00 -1.03 0.00 0.00 54.13 53.66 1tvb s LEU 87 Cb 0.11 -2.14 0.91 0.00 0.03 0.00 0.00 46.19 45.09 1tvb s LEU 87 CO 0.52 0.12 1.75 0.77 0.23 0.00 0.00 176.35 179.74 1tvb h SER 88 N 7.01 0.00 -5.12 2.29 4.64 -1.85 -3.44 113.55 117.08 1tvb h SER 88 Ca -0.40 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.86 1tvb h SER 88 Cb 1.16 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.12 1tvb h SER 88 CO 0.72 0.00 -0.14 0.00 -0.87 0.00 0.00 176.83 176.54 1tvb s GLN 89 N -3.24 1.09 0.35 4.77 -2.07 -1.26 -5.14 119.66 114.16 1tvb s GLN 89 Ca 0.07 -0.85 -0.29 0.00 -1.82 0.00 0.00 55.36 52.47 1tvb s GLN 89 Cb 0.10 0.44 -0.11 0.00 -1.09 0.00 0.00 33.01 32.35 1tvb s GLN 89 CO 0.50 -0.42 1.52 -2.14 -1.32 0.00 0.00 175.29 173.44 1tvb s PRO 90 N -3.85 4.11 -0.24 9.60 0.02 -1.26 -4.91 135.00 138.47 1tvb s PRO 90 Ca 0.06 2.58 -0.11 0.00 0.02 0.00 0.00 61.00 63.55 1tvb s PRO 90 Cb 0.02 -2.99 -0.05 0.00 0.02 0.00 0.00 34.50 31.51 1tvb s PRO 90 CO -0.09 -0.57 0.16 0.21 -0.33 0.00 0.00 177.00 176.39 1tvb s LYS 91 N -1.55 4.07 -0.21 5.54 2.20 -0.38 -4.90 119.74 124.50 1tvb s LYS 91 Ca 0.56 -0.27 -0.07 0.00 -0.36 0.00 0.00 55.97 55.84 1tvb s LYS 91 Cb -0.47 -3.54 -0.03 0.00 -1.51 0.00 0.00 37.83 32.27 1tvb s LYS 91 CO 0.58 0.05 0.05 0.42 -0.36 0.00 0.00 175.35 176.09 1tvb s ILE 92 N 1.09 4.45 -0.19 5.43 1.01 -1.26 -0.95 121.20 130.77 1tvb s ILE 92 Ca 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.57 1tvb s ILE 92 Cb -0.14 -3.03 -0.00 0.00 0.01 0.00 0.00 42.46 39.30 1tvb s ILE 92 CO 0.05 0.41 -0.11 -0.69 0.00 0.00 0.00 174.94 174.59 1tvb s VAL 93 N 0.93 2.87 0.32 2.92 1.01 -0.35 -4.97 120.40 123.13 1tvb s VAL 93 Ca 0.03 -0.68 -0.24 0.00 0.00 0.00 0.00 61.98 61.10 1tvb s VAL 93 Cb -0.14 -2.26 -0.10 0.00 0.00 0.00 0.00 36.38 33.88 1tvb s VAL 93 CO 0.03 0.48 0.90 -0.54 0.00 0.00 0.00 175.10 175.97 1tvb s LYS 94 N 1.18 4.44 0.11 2.72 1.02 -1.26 -1.18 119.74 126.78 1tvb s LYS 94 Ca 0.02 1.19 -0.31 0.00 0.02 0.00 0.00 55.97 56.89 1tvb s LYS 94 Cb -0.14 -2.69 -0.07 0.00 -0.52 0.00 0.00 37.83 34.40 1tvb s LYS 94 CO -0.04 0.24 1.32 -0.46 -0.92 0.00 0.00 175.35 175.49 1tvb s TRP 95 N -1.71 3.31 -0.26 3.18 -0.00 0.49 -4.87 118.94 119.08 1tvb s TRP 95 Ca 0.51 1.10 0.01 0.00 -0.00 0.00 0.00 56.10 57.72 1tvb s TRP 95 Cb -0.16 -3.59 0.07 0.00 -0.00 0.00 0.00 33.47 29.79 1tvb s TRP 95 CO 0.21 -1.97 -0.02 0.34 -0.00 0.00 0.00 176.95 175.51 1tvb s ASP 96 N 0.98 4.00 0.00 5.86 -1.08 -1.26 -4.76 116.67 120.41 1tvb s ASP 96 Ca 0.62 -1.37 0.28 0.00 -0.52 0.00 0.00 52.55 51.56 1tvb s ASP 96 Cb -0.34 -1.20 1.07 0.00 -1.46 0.00 0.00 42.92 40.98 1tvb s ASP 96 CO 0.31 -0.28 1.80 -2.11 0.52 0.00 0.00 175.17 175.41 1tvb n ARG 97 N 4.64 0.04 -0.85 4.34 1.85 -1.26 -3.57 116.66 121.85 1tvb n ARG 97 Ca -0.09 -0.01 0.04 0.00 -1.00 0.00 0.00 57.85 56.80 1tvb n ARG 97 Cb 0.43 -1.50 0.36 0.00 -1.05 0.00 0.00 32.46 30.70 1tvb n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1tvb n ASP 98 N -1.47 5.20 0.00 2.89 10.43 -1.26 -4.92 116.55 127.42 1tvb n ASP 98 Ca 0.07 -3.03 0.12 0.00 2.57 0.00 0.00 54.79 54.52 1tvb n ASP 98 Cb 0.33 -0.68 0.71 0.00 1.84 0.00 0.00 41.12 43.33 1tvb n ASP 98 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36