#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gri n PRO 2 N 0.00 0.25 -3.02 0.00 -0.04 -1.26 -4.76 135.00 126.17 2gri n PRO 2 Ca 0.00 0.13 -0.28 0.00 -0.04 0.00 0.00 63.50 63.31 2gri n PRO 2 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 2gri n PRO 2 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2gri s ILE 3 N -2.50 4.94 0.29 0.52 1.01 -1.26 -4.71 121.20 119.50 2gri s ILE 3 Ca 0.15 0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.69 2gri s ILE 3 Cb 0.10 -3.78 -0.13 0.00 0.01 0.00 0.00 42.46 38.66 2gri s ILE 3 CO 0.22 -0.55 1.40 1.17 0.00 0.00 0.00 174.94 177.18 2gri n LYS 4 N -1.49 2.21 -0.25 2.79 3.00 -1.20 -4.84 118.16 118.38 2gri n LYS 4 Ca -0.00 0.78 0.30 0.00 -0.00 0.00 0.00 58.31 59.38 2gri n LYS 4 Cb 0.55 -2.44 0.69 0.00 0.00 0.00 0.00 35.03 33.83 2gri n LYS 4 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2gri h GLY 5 N 3.65 0.21 -3.56 3.14 0.00 -1.94 0.25 103.07 104.83 2gri h GLY 5 Ca -0.46 -0.04 -0.53 0.00 0.00 0.00 0.00 47.33 46.30 2gri h GLY 5 CO 0.71 -0.02 0.19 -0.62 0.00 0.00 0.00 176.54 176.80 2gri n VAL 6 N -4.30 3.07 -3.63 4.60 0.31 -1.26 -4.95 118.33 112.17 2gri n VAL 6 Ca 0.22 -3.15 -0.12 0.00 -0.01 0.00 0.00 64.34 61.27 2gri n VAL 6 Cb 1.03 -0.92 -0.07 0.00 -0.91 0.00 0.00 33.84 32.98 2gri n VAL 6 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2gri s THR 7 N -4.29 0.00 -0.29 2.52 2.01 0.89 -5.16 115.64 111.31 2gri s THR 7 Ca 0.56 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 62.41 2gri s THR 7 Cb 0.46 -1.00 0.15 0.00 0.01 0.00 0.00 72.50 72.12 2gri s THR 7 CO 0.02 0.00 0.99 0.72 -0.69 0.00 0.00 174.62 175.66 2gri s PHE 8 N 0.57 -0.59 -1.44 4.92 -0.71 -1.26 -3.89 117.98 115.59 2gri s PHE 8 Ca -0.01 1.11 -0.06 0.00 -1.04 0.00 0.00 56.93 56.93 2gri s PHE 8 Cb -0.05 0.35 0.04 0.00 -1.21 0.00 0.00 43.02 42.15 2gri s PHE 8 CO -0.03 -0.29 0.72 0.41 -1.34 0.00 0.00 175.22 174.69 2gri n GLY 9 N 4.08 -0.35 0.10 1.99 0.00 -1.26 -4.89 105.19 104.87 2gri n GLY 9 Ca -0.16 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2gri n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gri n GLU 10 N -4.44 0.68 0.04 1.61 -0.58 -1.26 -4.97 120.64 111.72 2gri n GLU 10 Ca -0.17 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 2gri n GLU 10 Cb 0.62 -1.77 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 2gri n GLU 10 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2gri n ASP 11 N -3.22 -0.64 -3.62 1.62 -0.08 -1.26 -5.17 116.55 104.18 2gri n ASP 11 Ca -0.22 0.14 -0.03 0.00 -1.51 0.00 0.00 54.79 53.17 2gri n ASP 11 Cb 1.05 0.99 -0.00 0.00 2.34 0.00 0.00 41.12 45.50 2gri n ASP 11 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2gri s THR 12 N -1.15 0.00 0.58 5.18 -1.32 -1.26 -5.12 115.64 112.55 2gri s THR 12 Ca 0.00 -0.64 -0.06 0.00 -1.21 0.00 0.00 61.69 59.78 2gri s THR 12 Cb 0.00 -2.27 -0.00 0.00 -1.51 0.00 0.00 72.50 68.72 2gri s THR 12 CO 0.00 0.00 0.90 -0.69 -2.21 0.00 0.00 174.62 172.62 2gri s VAL 13 N -2.91 3.90 -1.61 5.08 1.01 -1.26 -3.22 120.40 121.38 2gri s VAL 13 Ca 0.15 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.23 2gri s VAL 13 Cb -0.02 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.83 2gri s VAL 13 CO 0.03 -0.57 0.00 0.79 0.00 0.00 0.00 175.10 175.36 2gri n TRP 14 N -2.56 0.00 0.00 5.22 7.02 -1.26 -4.63 117.44 121.23 2gri n TRP 14 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 2gri n TRP 14 Cb 0.57 -2.96 0.00 0.00 -2.42 0.00 0.00 31.31 26.50 2gri n TRP 14 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 2gri n GLU 15 N -1.75 0.00 0.00 -0.99 -0.58 -1.25 -4.95 120.64 111.12 2gri n GLU 15 Ca -0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 2gri n GLU 15 Cb 0.60 -0.53 0.00 0.00 -0.57 0.00 0.00 31.44 30.94 2gri n GLU 15 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2gri n VAL 16 N -1.56 0.00 -0.11 2.62 3.14 -1.20 -4.78 118.33 116.44 2gri n VAL 16 Ca 0.00 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.33 2gri n VAL 16 Cb 0.03 -0.79 0.01 0.00 -1.06 0.00 0.00 33.84 32.03 2gri n VAL 16 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 2gri h GLN 17 N 0.00 -0.10 -0.11 1.45 4.15 -1.90 -3.44 115.11 115.15 2gri h GLN 17 Ca 0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2gri h GLN 17 Cb 0.82 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.53 2gri h GLN 17 CO 0.00 -0.07 0.00 0.41 -1.93 0.00 0.00 178.83 177.24 2gri n GLY 18 N -1.36 1.28 3.24 2.39 0.00 -1.26 -3.26 105.19 106.21 2gri n GLY 18 Ca 0.02 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 2gri n GLY 18 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gri s TYR 19 N -2.11 0.33 0.22 1.61 2.02 -1.26 -1.23 117.35 116.93 2gri s TYR 19 Ca 0.00 -0.74 0.03 0.00 -0.37 0.00 0.00 57.07 55.99 2gri s TYR 19 Cb 0.00 -0.12 -0.01 0.00 -0.40 0.00 0.00 41.96 41.43 2gri s TYR 19 CO 0.00 -0.59 0.23 1.63 -1.57 0.00 0.00 175.55 175.25 2gri n LYS 20 N -0.10 0.33 -3.70 -0.62 4.01 -0.35 -4.46 118.16 113.27 2gri n LYS 20 Ca -0.11 -2.11 -0.28 0.00 -0.51 0.00 0.00 58.31 55.29 2gri n LYS 20 Cb 0.63 1.81 -0.16 0.00 -0.51 0.00 0.00 35.03 36.80 2gri n LYS 20 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2gri s ASN 21 N -2.52 3.22 -0.19 4.39 0.01 -1.26 -2.46 114.94 116.13 2gri s ASN 21 Ca 0.24 -1.06 -0.00 0.00 -0.71 0.00 0.00 52.86 51.33 2gri s ASN 21 Cb 0.01 -0.60 0.01 0.00 0.41 0.00 0.00 41.25 41.08 2gri s ASN 21 CO 0.17 -0.35 -0.16 0.54 -1.51 0.00 0.00 177.10 175.79 2gri s VAL 22 N 1.86 2.39 0.04 1.60 0.11 -1.21 -4.76 120.40 120.42 2gri s VAL 22 Ca 0.03 -0.83 -0.02 0.00 -2.93 0.00 0.00 61.98 58.23 2gri s VAL 22 Cb -0.17 -2.03 -0.04 0.00 -1.53 0.00 0.00 36.38 32.61 2gri s VAL 22 CO -0.16 0.51 0.22 -0.60 -3.33 0.00 0.00 175.10 171.74 2gri s ARG 23 N 1.32 3.47 -0.11 1.54 3.52 -1.14 -2.91 118.95 124.64 2gri s ARG 23 Ca 0.05 -0.32 -0.04 0.00 -0.13 0.00 0.00 55.73 55.29 2gri s ARG 23 Cb -0.13 -3.05 -0.04 0.00 -1.56 0.00 0.00 34.95 30.17 2gri s ARG 23 CO -0.10 0.62 0.05 0.42 -0.81 0.00 0.00 175.30 175.48 2gri s ILE 24 N -1.43 4.69 -0.50 4.11 -1.09 -0.01 -1.29 121.20 125.68 2gri s ILE 24 Ca 0.32 -0.10 0.06 0.00 -2.23 0.00 0.00 60.65 58.70 2gri s ILE 24 Cb -0.13 -3.02 0.20 0.00 -1.58 0.00 0.00 42.46 37.94 2gri s ILE 24 CO 0.23 0.59 0.79 0.41 -1.23 0.00 0.00 174.94 175.73 2gri n THR 25 N 2.34 0.00 0.00 2.92 -1.04 -1.03 -4.69 114.28 112.78 2gri n THR 25 Ca -0.19 -1.08 0.00 0.00 -2.04 0.00 0.00 64.05 60.75 2gri n THR 25 Cb 0.54 1.10 0.00 0.00 -1.82 0.00 0.00 70.33 70.15 2gri n THR 25 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2gri n PHE 26 N 2.59 0.00 0.00 -1.42 7.35 -1.26 -4.89 117.46 119.83 2gri n PHE 26 Ca 0.15 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.84 2gri n PHE 26 Cb 0.58 0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.42 2gri n PHE 26 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2gri n GLU 27 N -1.45 0.00 0.14 -4.13 2.13 -1.26 -5.01 120.64 111.07 2gri n GLU 27 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2gri n GLU 27 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2gri n GLU 27 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2gri n LEU 28 N 0.00 -2.60 -4.51 4.31 7.94 -1.26 -4.74 117.00 116.14 2gri n LEU 28 Ca 0.00 0.58 -0.24 0.00 -1.11 0.00 0.00 56.01 55.24 2gri n LEU 28 Cb 0.00 2.59 -0.09 0.00 0.53 0.00 0.00 43.42 46.45 2gri n LEU 28 CO 0.00 0.03 -0.24 -0.62 -1.11 0.00 0.00 177.39 175.45 2gri s ASP 29 N -2.00 2.74 -0.11 1.96 -1.08 -1.26 -5.06 116.67 111.86 2gri s ASP 29 Ca 0.00 -1.51 -0.04 0.00 -0.52 0.00 0.00 52.55 50.48 2gri s ASP 29 Cb 0.00 0.17 -0.05 0.00 -1.46 0.00 0.00 42.92 41.58 2gri s ASP 29 CO 0.00 -0.74 -0.13 -0.62 0.52 0.00 0.00 175.17 174.21 2gri n GLU 30 N -0.83 0.23 0.08 4.34 -0.58 -1.26 -3.99 120.64 118.63 2gri n GLU 30 Ca -0.05 0.09 -0.09 0.00 -0.42 0.00 0.00 57.16 56.69 2gri n GLU 30 Cb 0.66 -0.94 -0.09 0.00 -0.57 0.00 0.00 31.44 30.50 2gri n GLU 30 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2gri h ARG 31 N -0.30 0.09 -0.70 3.49 9.65 -2.07 -3.33 114.38 121.21 2gri h ARG 31 Ca -0.26 -0.14 -0.51 0.00 -1.10 0.00 0.00 59.98 57.97 2gri h ARG 31 Cb 1.26 0.05 -0.42 0.00 -1.39 0.00 0.00 29.97 29.47 2gri h ARG 31 CO -0.14 1.02 -0.83 1.33 2.80 0.00 0.00 179.97 184.15 2gri n VAL 32 N -3.47 2.42 0.02 0.20 0.24 -1.26 -4.80 118.33 111.68 2gri n VAL 32 Ca -0.03 -4.09 -0.12 0.00 -2.04 0.00 0.00 64.34 58.07 2gri n VAL 32 Cb 0.92 -0.93 -0.09 0.00 -1.47 0.00 0.00 33.84 32.27 2gri n VAL 32 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2gri h ASP 33 N 2.18 -0.12 0.30 -1.34 3.58 -1.69 -3.14 116.42 116.19 2gri h ASP 33 Ca 0.32 -0.46 0.00 0.00 0.42 0.00 0.00 57.03 57.31 2gri h ASP 33 Cb 1.51 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.59 2gri h ASP 33 CO 0.69 0.47 0.00 0.07 -2.88 0.00 0.00 179.24 177.59 2gri h LYS 34 N -0.78 0.00 0.00 0.28 -0.00 -1.87 -1.20 116.57 112.99 2gri h LYS 34 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.62 2gri h LYS 34 Cb 0.57 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.80 2gri h LYS 34 CO 0.02 0.00 -0.05 0.28 -0.00 0.00 0.00 179.45 179.70 2gri h VAL 35 N 0.00 0.13 0.00 0.07 2.07 -1.89 0.33 116.25 116.97 2gri h VAL 35 Ca 0.00 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2gri h VAL 35 Cb 0.15 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2gri h VAL 35 CO 0.00 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.64 2gri n LEU 36 N -3.17 1.32 -0.00 2.57 -0.00 -0.52 -4.01 117.00 113.19 2gri n LEU 36 Ca 0.01 -1.32 0.00 0.00 -0.00 0.00 0.00 56.01 54.70 2gri n LEU 36 Cb 0.35 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.76 2gri n LEU 36 CO 0.29 0.33 -0.50 -3.20 -0.00 0.00 0.00 177.39 174.31 2gri n ASN 37 N -0.18 4.99 0.00 1.45 5.15 -0.79 -4.25 115.26 121.63 2gri n ASN 37 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2gri n ASN 37 Cb 0.11 0.82 0.00 0.00 -0.53 0.00 0.00 39.78 40.18 2gri n ASN 37 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2gri n GLU 38 N -1.68 0.00 -0.30 1.20 2.13 0.10 -4.45 120.64 117.64 2gri n GLU 38 Ca -0.00 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.89 2gri n GLU 38 Cb 0.18 -0.75 0.23 0.00 0.27 0.00 0.00 31.44 31.37 2gri n GLU 38 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2gri h LYS 39 N 0.00 0.64 -0.01 5.31 1.63 -1.24 -3.41 116.57 119.49 2gri h LYS 39 Ca 0.00 -0.04 0.17 0.00 -0.85 0.00 0.00 60.65 59.93 2gri h LYS 39 Cb 0.99 -0.14 -0.17 0.00 -0.60 0.00 0.00 32.23 32.31 2gri h LYS 39 CO 0.00 0.42 -0.03 0.00 -3.45 0.00 0.00 179.45 176.40 2gri n SER 41 N 3.42 1.33 -4.86 0.00 3.41 -1.26 -4.74 113.62 110.91 2gri n SER 41 Ca 0.05 -1.16 -0.37 0.00 -0.26 0.00 0.00 58.87 57.12 2gri n SER 41 Cb 0.65 0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 64.79 2gri n SER 41 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2gri s VAL 42 N -0.91 5.49 -0.05 -3.33 0.11 -1.26 -0.83 120.40 119.63 2gri s VAL 42 Ca 0.08 0.22 -0.09 0.00 -2.93 0.00 0.00 61.98 59.25 2gri s VAL 42 Cb 0.06 -3.41 0.02 0.00 -1.53 0.00 0.00 36.38 31.52 2gri s VAL 42 CO 0.15 0.60 0.22 -0.31 -3.33 0.00 0.00 175.10 172.42 2gri s TYR 43 N -0.88 -0.16 0.37 1.54 1.51 -1.15 -4.99 117.35 113.60 2gri s TYR 43 Ca 0.14 0.35 -0.27 0.00 -1.01 0.00 0.00 57.07 56.28 2gri s TYR 43 Cb -0.12 0.05 -0.09 0.00 -0.11 0.00 0.00 41.96 41.69 2gri s TYR 43 CO 0.03 -0.22 1.27 0.99 -1.11 0.00 0.00 175.55 176.52 2gri s THR 44 N -0.56 2.79 -0.20 -0.71 2.01 -1.26 -3.33 115.64 114.38 2gri s THR 44 Ca -0.07 0.73 -0.03 0.00 0.31 0.00 0.00 61.69 62.64 2gri s THR 44 Cb -0.04 -3.44 0.06 0.00 0.01 0.00 0.00 72.50 69.09 2gri s THR 44 CO 0.01 0.13 0.05 0.54 -0.69 0.00 0.00 174.62 174.66 2gri s VAL 45 N -1.24 0.44 1.29 3.82 0.11 -1.03 -4.94 120.40 118.85 2gri s VAL 45 Ca 0.53 -0.54 -0.21 0.00 -2.93 0.00 0.00 61.98 58.84 2gri s VAL 45 Cb -0.37 -0.99 0.32 0.00 -1.53 0.00 0.00 36.38 33.81 2gri s VAL 45 CO 0.48 -0.25 0.72 1.21 -3.33 0.00 0.00 175.10 173.94 2gri n GLU 46 N 5.08 -3.94 0.07 1.54 0.00 -1.26 -1.21 120.64 120.92 2gri n GLU 46 Ca -0.08 -1.22 0.01 0.00 0.00 0.00 0.00 57.16 55.87 2gri n GLU 46 Cb 0.47 -1.70 -0.04 0.00 0.00 0.00 0.00 31.44 30.16 2gri n GLU 46 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2gri h SER 47 N -3.38 0.00 -2.19 4.31 4.64 -1.54 -3.37 113.55 112.02 2gri h SER 47 Ca -0.33 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.26 2gri h SER 47 Cb 1.11 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.88 2gri h SER 47 CO 0.20 0.55 0.49 0.61 -0.87 0.00 0.00 176.83 177.80 2gri n GLY 48 N 1.33 5.92 3.54 -0.77 0.00 -1.26 -5.00 105.19 108.95 2gri n GLY 48 Ca -0.05 -2.63 -0.25 0.00 0.00 0.00 0.00 46.02 43.08 2gri n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gri s THR 49 N -4.54 1.38 0.19 2.61 2.01 -1.26 -5.17 115.64 110.85 2gri s THR 49 Ca 0.44 -2.00 0.09 0.00 0.31 0.00 0.00 61.69 60.53 2gri s THR 49 Cb 0.26 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 2gri s THR 49 CO -0.17 0.00 -0.19 -1.83 -0.69 0.00 0.00 174.62 171.74 2gri s GLU 50 N -3.81 1.35 0.59 4.92 -1.05 -1.26 -5.01 118.70 114.43 2gri s GLU 50 Ca 0.32 -1.49 0.40 0.00 -0.15 0.00 0.00 54.97 54.05 2gri s GLU 50 Cb 0.08 -1.41 2.15 0.00 -0.44 0.00 0.00 34.13 34.51 2gri s GLU 50 CO 0.15 0.28 2.22 0.28 0.95 0.00 0.00 175.26 179.14 2gri h VAL 51 N 3.04 0.00 0.00 1.83 2.07 -1.95 -0.83 116.25 120.42 2gri h VAL 51 Ca -0.42 -0.01 -0.26 0.00 0.82 0.00 0.00 66.70 66.83 2gri h VAL 51 Cb 1.21 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 2gri h VAL 51 CO 0.53 0.00 -1.66 1.07 0.02 0.00 0.00 177.57 177.53 2gri n THR 52 N -2.90 1.45 -0.06 2.57 5.66 -1.26 -4.07 114.28 115.67 2gri n THR 52 Ca -0.03 -0.77 0.03 0.00 -3.05 0.00 0.00 64.05 60.24 2gri n THR 52 Cb 0.07 -0.90 0.37 0.00 -1.55 0.00 0.00 70.33 68.32 2gri n THR 52 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2gri h GLU 53 N 0.00 0.67 0.00 1.09 5.08 -1.54 -0.61 114.58 119.26 2gri h GLU 53 Ca -0.26 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 2gri h GLU 53 Cb 1.89 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.99 2gri h GLU 53 CO 0.07 0.44 -0.10 0.74 -1.00 0.00 0.00 179.01 179.16 2gri h PHE 54 N 0.69 0.00 0.00 4.33 0.04 -1.69 -2.89 116.94 117.42 2gri h PHE 54 Ca 0.18 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.95 2gri h PHE 54 Cb -0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.08 2gri h PHE 54 CO 0.00 0.10 0.00 0.00 -0.60 0.00 0.00 178.31 177.81 2gri h ALA 55 N 1.90 1.00 -0.33 2.45 0.00 -1.26 0.32 119.26 123.34 2gri h ALA 55 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gri h ALA 55 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2gri h ALA 55 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.26 2gri n VAL 57 N 0.55 0.00 0.11 0.00 0.31 0.15 -4.54 118.33 114.91 2gri n VAL 57 Ca 0.11 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.21 2gri n VAL 57 Cb 0.42 -0.75 -0.15 0.00 -0.91 0.00 0.00 33.84 32.45 2gri n VAL 57 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 2gri h VAL 58 N 0.00 1.14 -0.23 2.52 -1.51 -0.72 -3.33 116.25 114.12 2gri h VAL 58 Ca 0.00 -2.60 -0.09 0.00 -1.23 0.00 0.00 66.70 62.79 2gri h VAL 58 Cb 0.79 2.93 -0.01 0.00 -2.13 0.00 0.00 31.29 32.86 2gri h VAL 58 CO 0.00 0.82 -0.24 0.00 -1.23 0.00 0.00 177.57 176.92 2gri h ALA 59 N 0.12 1.17 0.10 5.19 0.00 -1.76 -2.68 119.26 121.41 2gri h ALA 59 Ca -0.29 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.30 2gri h ALA 59 Cb 2.10 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.74 2gri h ALA 59 CO 0.22 0.53 -0.32 0.93 0.00 0.00 0.00 179.25 180.60 2gri h GLU 60 N 0.38 -0.46 -0.81 0.00 5.08 -1.80 -1.13 114.58 115.84 2gri h GLU 60 Ca 0.06 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2gri h GLU 60 Cb 0.62 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.93 2gri h GLU 60 CO 0.04 -0.31 0.51 0.00 -1.00 0.00 0.00 179.01 178.26 2gri h ALA 61 N -0.97 1.06 -0.32 3.43 0.00 -1.69 -1.05 119.26 119.72 2gri h ALA 61 Ca -0.01 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.96 2gri h ALA 61 Cb 0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2gri h ALA 61 CO -0.16 0.33 0.35 0.28 0.00 0.00 0.00 179.25 180.05 2gri h VAL 62 N 1.00 0.42 0.02 0.00 2.07 -1.09 0.25 116.25 118.91 2gri h VAL 62 Ca 0.32 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.84 2gri h VAL 62 Cb 0.02 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2gri h VAL 62 CO -0.12 0.00 -0.01 0.58 0.02 0.00 0.00 177.57 178.05 2gri h VAL 63 N 0.00 0.00 -0.25 2.57 2.07 0.08 -2.59 116.25 118.13 2gri h VAL 63 Ca 0.15 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.60 2gri h VAL 63 Cb 0.84 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2gri h VAL 63 CO -0.00 0.00 0.29 0.07 0.02 0.00 0.00 177.57 177.95 2gri h LYS 64 N -0.17 0.00 0.03 1.57 -0.00 -1.36 0.13 116.57 116.77 2gri h LYS 64 Ca -0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 60.65 60.43 2gri h LYS 64 Cb 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.23 2gri h LYS 64 CO 0.00 0.00 -0.97 1.15 -0.00 0.00 0.00 179.45 179.64 2gri h THR 65 N 0.00 1.54 -2.08 0.07 2.02 -0.61 -3.33 112.91 110.53 2gri h THR 65 Ca 0.12 -2.87 -0.69 0.00 0.77 0.00 0.00 66.41 63.74 2gri h THR 65 Cb 0.70 2.63 -0.34 0.00 -1.74 0.00 0.00 68.15 69.40 2gri h THR 65 CO -0.00 0.83 0.20 0.18 0.37 0.00 0.00 175.52 177.10 2gri n LEU 66 N -3.57 6.03 -1.85 2.58 4.32 0.45 -4.67 117.00 120.28 2gri n LEU 66 Ca -0.04 -5.34 -0.09 0.00 -0.02 0.00 0.00 56.01 50.52 2gri n LEU 66 Cb 0.87 -0.83 0.07 0.00 -1.62 0.00 0.00 43.42 41.91 2gri n LEU 66 CO 0.49 2.12 0.16 0.00 -1.22 0.00 0.00 177.39 178.94 2gri n GLN 67 N -0.29 2.36 -0.03 3.23 6.02 -1.15 -4.84 117.38 122.69 2gri n GLN 67 Ca 0.42 -3.60 -0.13 0.00 -0.01 0.00 0.00 57.00 53.68 2gri n GLN 67 Cb 0.37 -1.74 -0.09 0.00 1.02 0.00 0.00 30.24 29.80 2gri n GLN 67 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2gri h PRO 68 N 1.90 0.12 -0.66 -1.09 0.13 -1.89 -3.41 132.00 127.09 2gri h PRO 68 Ca 0.11 -0.06 -0.33 0.00 -0.87 0.00 0.00 66.00 64.85 2gri h PRO 68 Cb 1.40 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.31 2gri h PRO 68 CO 0.39 0.57 -0.69 1.33 -0.23 0.00 0.00 178.00 179.37 2gri n VAL 69 N -4.76 -0.19 0.23 1.56 0.24 -1.26 -4.97 118.33 109.19 2gri n VAL 69 Ca -0.08 -2.38 0.17 0.00 -2.04 0.00 0.00 64.34 60.02 2gri n VAL 69 Cb 0.29 0.50 0.87 0.00 -1.47 0.00 0.00 33.84 34.02 2gri n VAL 69 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2gri h SER 70 N 3.75 0.00 -0.16 -1.34 4.64 -1.89 -0.36 113.55 118.20 2gri h SER 70 Ca -0.07 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.30 2gri h SER 70 Cb 1.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 2gri h SER 70 CO 0.34 0.00 0.24 0.44 -0.87 0.00 0.00 176.83 176.98 2gri h ASP 71 N 0.00 0.00 0.04 4.97 3.32 -1.97 -1.37 116.42 121.40 2gri h ASP 71 Ca 0.07 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.79 2gri h ASP 71 Cb 0.44 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 2gri h ASP 71 CO -0.00 0.00 -1.85 0.18 -1.72 0.00 0.00 179.24 175.85 2gri n LEU 72 N -3.51 2.24 -0.27 1.55 4.77 -0.15 -3.76 117.00 117.87 2gri n LEU 72 Ca 0.01 0.28 0.14 0.00 -0.03 0.00 0.00 56.01 56.41 2gri n LEU 72 Cb 0.35 -0.98 0.41 0.00 -2.33 0.00 0.00 43.42 40.87 2gri n LEU 72 CO 0.24 0.58 1.22 -0.07 -1.33 0.00 0.00 177.39 178.02 2gri h LEU 73 N -0.57 0.60 -0.70 2.23 3.38 -1.40 0.28 115.31 119.13 2gri h LEU 73 Ca -0.46 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 2gri h LEU 73 Cb 1.65 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 2gri h LEU 73 CO -0.15 0.28 -0.36 0.74 0.09 0.00 0.00 178.44 179.04 2gri h THR 74 N 0.62 0.75 0.00 0.22 2.02 -0.91 0.30 112.91 115.91 2gri h THR 74 Ca 0.46 -1.59 -0.04 0.00 0.77 0.00 0.00 66.41 66.02 2gri h THR 74 Cb 0.86 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.29 2gri h THR 74 CO -0.21 0.35 -0.18 -0.55 0.37 0.00 0.00 175.52 175.29 2gri h ASN 75 N 0.00 0.00 0.06 4.18 7.08 -0.55 -3.20 115.58 123.14 2gri h ASN 75 Ca -0.00 0.00 -0.27 0.00 -3.08 0.00 0.00 56.30 52.95 2gri h ASN 75 Cb 1.00 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 37.19 2gri h ASN 75 CO 0.05 0.18 -2.22 0.23 -2.08 0.00 0.00 177.43 173.59 2gri n MET 76 N -3.23 0.68 0.00 4.14 0.00 -0.89 -5.01 117.12 112.81 2gri n MET 76 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.69 2gri n MET 76 Cb 0.49 -1.55 0.00 0.00 0.00 0.00 0.00 33.22 32.16 2gri n MET 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2gri n GLY 77 N 1.61 2.56 3.60 3.03 0.00 -0.41 -5.09 105.19 110.49 2gri n GLY 77 Ca -0.24 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 2gri n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gri s ILE 78 N -0.09 3.24 -0.06 -0.61 1.01 0.92 -4.82 121.20 120.80 2gri s ILE 78 Ca 0.00 0.24 -0.16 0.00 0.00 0.00 0.00 60.65 60.73 2gri s ILE 78 Cb 0.00 -3.31 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 2gri s ILE 78 CO 0.00 -0.20 0.43 -0.62 0.00 0.00 0.00 174.94 174.55 2gri s ASP 79 N 7.16 6.73 0.06 3.58 -1.08 -1.26 -2.41 116.67 129.45 2gri s ASP 79 Ca 0.90 0.87 0.18 0.00 -0.52 0.00 0.00 52.55 53.97 2gri s ASP 79 Cb -0.28 -2.26 -0.13 0.00 -1.46 0.00 0.00 42.92 38.79 2gri s ASP 79 CO 0.34 0.17 0.81 -0.11 0.52 0.00 0.00 175.17 176.90 2gri n LEU 80 N 2.73 0.80 0.21 -1.34 -0.00 -1.26 -3.74 117.00 114.41 2gri n LEU 80 Ca -0.11 0.35 0.10 0.00 -0.00 0.00 0.00 56.01 56.35 2gri n LEU 80 Cb 0.52 0.07 0.26 0.00 -0.00 0.00 0.00 43.42 44.27 2gri n LEU 80 CO 0.40 0.12 0.76 -0.78 -0.00 0.00 0.00 177.39 177.89 2gri h ASP 81 N 0.00 0.00 0.82 1.96 3.58 -2.00 -3.18 116.42 117.59 2gri h ASP 81 Ca -0.16 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.05 2gri h ASP 81 Cb 1.53 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.56 2gri h ASP 81 CO 0.04 0.15 -1.19 1.05 -2.88 0.00 0.00 179.24 176.41 2gri h GLU 82 N 0.00 0.07 -0.76 0.28 4.11 -1.93 -3.29 114.58 113.06 2gri h GLU 82 Ca -0.00 -0.11 0.14 0.00 0.07 0.00 0.00 59.36 59.45 2gri h GLU 82 Cb 0.98 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.22 2gri h GLU 82 CO 0.02 0.97 0.50 -1.49 0.07 0.00 0.00 179.01 179.09 2gri h TRP 83 N 0.02 0.54 0.00 2.06 4.06 -1.63 0.29 115.95 121.28 2gri h TRP 83 Ca -0.09 0.02 -0.07 0.00 2.06 0.00 0.00 58.89 60.81 2gri h TRP 83 Cb 1.86 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 29.84 2gri h TRP 83 CO 0.02 0.22 -0.33 0.66 -3.56 0.00 0.00 178.44 175.44 2gri h SER 84 N 0.47 0.00 -0.72 -3.49 4.64 -1.69 -3.26 113.55 109.50 2gri h SER 84 Ca 0.37 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.16 2gri h SER 84 Cb 0.77 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.45 2gri h SER 84 CO -0.13 0.33 -0.79 1.33 -0.87 0.00 0.00 176.83 176.70 2gri n VAL 85 N -3.25 2.53 -3.83 0.95 0.24 0.70 -5.04 118.33 110.61 2gri n VAL 85 Ca 0.02 -4.17 -0.13 0.00 -2.04 0.00 0.00 64.34 58.02 2gri n VAL 85 Cb 0.61 -1.10 -0.01 0.00 -1.47 0.00 0.00 33.84 31.87 2gri n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gri n ALA 86 N -0.73 0.36 -3.84 2.33 0.00 0.59 -4.95 120.51 114.27 2gri n ALA 86 Ca 0.43 -1.06 -0.34 0.00 0.00 0.00 0.00 53.44 52.47 2gri n ALA 86 Cb 0.96 0.47 -0.13 0.00 0.00 0.00 0.00 19.45 20.75 2gri n ALA 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2gri s THR 87 N -1.42 2.92 -0.49 0.00 2.01 -1.26 -5.05 115.64 112.34 2gri s THR 87 Ca 0.11 -2.05 -0.21 0.00 0.31 0.00 0.00 61.69 59.86 2gri s THR 87 Cb -0.01 -2.99 0.04 0.00 0.01 0.00 0.00 72.50 69.55 2gri s THR 87 CO 0.07 -0.57 0.69 -0.36 -0.69 0.00 0.00 174.62 173.76 2gri s PHE 88 N 1.08 3.01 -0.22 4.92 0.40 -1.26 -4.87 117.98 121.04 2gri s PHE 88 Ca 0.07 -0.26 -0.20 0.00 -0.60 0.00 0.00 56.93 55.94 2gri s PHE 88 Cb -0.21 -3.57 -0.03 0.00 0.51 0.00 0.00 43.02 39.72 2gri s PHE 88 CO -0.05 -1.03 0.58 0.71 0.70 0.00 0.00 175.22 176.13 2gri s TYR 89 N 2.95 3.34 0.62 0.36 2.02 -1.23 -4.82 117.35 120.58 2gri s TYR 89 Ca 0.21 0.82 -0.06 0.00 -0.37 0.00 0.00 57.07 57.66 2gri s TYR 89 Cb -0.16 -2.77 0.02 0.00 -0.40 0.00 0.00 41.96 38.65 2gri s TYR 89 CO 0.16 -0.21 0.93 -0.51 -1.57 0.00 0.00 175.55 174.35 2gri s LEU 90 N 2.04 3.14 0.13 -1.29 2.01 -1.26 -1.87 118.68 121.58 2gri s LEU 90 Ca 0.26 0.69 -0.26 0.00 0.01 0.00 0.00 54.13 54.83 2gri s LEU 90 Cb -0.16 -3.49 0.07 0.00 0.01 0.00 0.00 46.19 42.63 2gri s LEU 90 CO 0.09 -1.17 0.98 -0.36 1.01 0.00 0.00 176.35 176.90 2gri s PHE 91 N -3.06 -0.14 0.00 0.29 0.08 0.71 -4.54 117.98 111.33 2gri s PHE 91 Ca 0.55 -0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.46 2gri s PHE 91 Cb -0.11 0.62 0.00 0.00 -0.57 0.00 0.00 43.02 42.97 2gri s PHE 91 CO 0.45 -0.76 0.00 -3.47 -0.10 0.00 0.00 175.22 171.34 2gri n ASP 92 N -0.46 1.34 0.03 1.36 2.03 0.32 -0.10 116.55 121.07 2gri n ASP 92 Ca -0.06 -0.87 0.12 0.00 0.52 0.00 0.00 54.79 54.49 2gri n ASP 92 Cb 0.61 0.00 0.49 0.00 -0.72 0.00 0.00 41.12 41.50 2gri n ASP 92 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2gri n ASP 93 N -1.45 0.17 -1.06 1.67 5.68 -1.26 -2.57 116.55 117.73 2gri n ASP 93 Ca 0.00 0.52 0.11 0.00 -0.50 0.00 0.00 54.79 54.93 2gri n ASP 93 Cb 0.00 -0.57 0.18 0.00 -1.14 0.00 0.00 41.12 39.60 2gri n ASP 93 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gri n ALA 94 N -1.56 2.42 -2.35 2.12 0.00 -1.26 -4.95 120.51 114.92 2gri n ALA 94 Ca 0.05 -0.93 -0.07 0.00 0.00 0.00 0.00 53.44 52.49 2gri n ALA 94 Cb 0.30 -0.81 0.01 0.00 0.00 0.00 0.00 19.45 18.94 2gri n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gri n GLY 95 N 1.38 0.19 3.23 0.00 0.00 -1.06 -5.04 105.19 103.89 2gri n GLY 95 Ca 0.17 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 2gri n GLY 95 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2gri s GLU 96 N -4.67 1.02 -1.13 1.61 -1.05 -1.26 -4.86 118.70 108.35 2gri s GLU 96 Ca 0.06 -1.44 -0.20 0.00 -0.15 0.00 0.00 54.97 53.24 2gri s GLU 96 Cb -0.03 -0.51 0.07 0.00 -0.44 0.00 0.00 34.13 33.23 2gri s GLU 96 CO 0.07 0.04 1.53 -1.21 0.95 0.00 0.00 175.26 176.64 2gri s GLU 97 N -3.78 3.77 0.33 -4.83 2.02 -1.26 -0.52 118.70 114.43 2gri s GLU 97 Ca 0.16 -1.60 0.04 0.00 0.02 0.00 0.00 54.97 53.60 2gri s GLU 97 Cb 0.03 -5.37 -0.06 0.00 0.10 0.00 0.00 34.13 28.83 2gri s GLU 97 CO -0.00 -2.16 0.04 -0.80 0.02 0.00 0.00 175.26 172.35 2gri s ASN 98 N 4.45 2.58 -0.63 -0.19 0.01 -1.26 -4.88 114.94 115.03 2gri s ASN 98 Ca 0.48 -1.35 0.04 0.00 -0.71 0.00 0.00 52.86 51.32 2gri s ASN 98 Cb 0.01 -0.13 0.33 0.00 0.41 0.00 0.00 41.25 41.87 2gri s ASN 98 CO -0.03 -0.56 1.02 2.22 -1.51 0.00 0.00 177.10 178.25 2gri n PHE 99 N -0.71 3.92 -0.70 2.20 1.16 -1.26 -4.66 117.46 117.41 2gri n PHE 99 Ca -0.03 -3.87 0.00 0.00 -1.87 0.00 0.00 57.45 51.68 2gri n PHE 99 Cb 0.66 -0.56 0.00 0.00 -1.61 0.00 0.00 39.48 37.97 2gri n PHE 99 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2gri n SER 100 N -0.17 -0.07 -0.28 5.98 2.88 -1.26 -4.88 113.62 115.82 2gri n SER 100 Ca 0.32 -0.70 0.29 0.00 -1.33 0.00 0.00 58.87 57.46 2gri n SER 100 Cb 0.38 0.00 0.66 0.00 -0.75 0.00 0.00 64.21 64.50 2gri n SER 100 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2gri h SER 101 N -0.07 0.15 -3.53 -3.46 0.87 -1.97 -3.43 113.55 102.12 2gri h SER 101 Ca 0.00 0.03 -0.55 0.00 -1.23 0.00 0.00 61.79 60.04 2gri h SER 101 Cb 0.00 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 61.83 2gri h SER 101 CO 0.00 0.03 -0.51 0.00 -0.53 0.00 0.00 176.83 175.82 2gri s ARG 102 N -5.14 1.91 -0.10 2.24 1.70 -1.26 -2.87 118.95 115.43 2gri s ARG 102 Ca -0.06 -2.16 -0.25 0.00 -0.47 0.00 0.00 55.73 52.79 2gri s ARG 102 Cb 0.23 -0.47 0.06 0.00 -0.57 0.00 0.00 34.95 34.20 2gri s ARG 102 CO 0.79 -0.51 0.59 -1.64 -1.08 0.00 0.00 175.30 173.45 2gri s MET 103 N -3.67 0.87 -0.10 3.89 -1.94 -0.41 -4.80 119.30 113.14 2gri s MET 103 Ca 0.26 0.38 0.01 0.00 -1.71 0.00 0.00 55.69 54.63 2gri s MET 103 Cb 0.02 0.41 -0.02 0.00 2.01 0.00 0.00 34.83 37.26 2gri s MET 103 CO 0.16 -0.22 -0.14 0.71 -0.01 0.00 0.00 175.02 175.53 2gri s TYR 104 N -0.71 2.77 -0.39 -0.03 2.02 0.86 -2.48 117.35 119.39 2gri s TYR 104 Ca -0.08 -0.46 -0.03 0.00 -0.37 0.00 0.00 57.07 56.13 2gri s TYR 104 Cb -0.02 -1.76 0.10 0.00 -0.40 0.00 0.00 41.96 39.88 2gri s TYR 104 CO 0.06 -0.06 0.18 0.00 -1.57 0.00 0.00 175.55 174.15 2gri s SER 106 N 1.74 6.52 0.02 0.00 1.04 -0.78 -4.14 113.70 118.10 2gri s SER 106 Ca 0.06 0.61 0.19 0.00 0.48 0.00 0.00 55.95 57.29 2gri s SER 106 Cb -0.22 -2.10 0.81 0.00 0.10 0.00 0.00 66.02 64.60 2gri s SER 106 CO -0.04 0.17 1.61 2.22 0.98 0.00 0.00 173.24 178.18 2gri n PHE 107 N 0.70 0.07 -4.21 5.02 1.16 -1.26 -3.50 117.46 115.43 2gri n PHE 107 Ca -0.07 0.03 -0.26 0.00 -1.87 0.00 0.00 57.45 55.27 2gri n PHE 107 Cb 0.52 -0.54 -0.08 0.00 -1.61 0.00 0.00 39.48 37.77 2gri n PHE 107 CO 0.00 0.00 0.00 1.52 -1.87 0.00 0.00 176.76 176.41 2gri s TYR 108 N -3.02 2.83 0.96 2.97 1.13 -1.26 -4.96 117.35 115.99 2gri s TYR 108 Ca 0.09 -0.15 -0.12 0.00 -1.41 0.00 0.00 57.07 55.48 2gri s TYR 108 Cb 0.12 -1.36 0.16 0.00 -1.10 0.00 0.00 41.96 39.78 2gri s TYR 108 CO 0.35 0.52 1.09 -1.25 -2.51 0.00 0.00 175.55 173.76 2gri s PRO 109 N -2.99 0.76 0.00 -3.49 0.04 -1.26 -4.71 135.00 123.35 2gri s PRO 109 Ca 0.28 0.64 -0.24 0.00 0.04 0.00 0.00 61.00 61.72 2gri s PRO 109 Cb -0.09 -1.77 -0.18 0.00 0.04 0.00 0.00 34.50 32.51 2gri s PRO 109 CO 0.19 -2.53 1.30 -1.00 0.04 0.00 0.00 177.00 174.99 2gri h PRO 110 N -1.76 0.15 0.00 0.56 0.13 -1.97 -3.47 132.00 125.65 2gri h PRO 110 Ca -0.52 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 2gri h PRO 110 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2gri h PRO 110 CO 0.56 0.60 0.00 -0.25 -0.23 0.00 0.00 178.00 178.68 2gri n ASP 111 N -4.73 0.00 0.00 1.44 8.00 -1.26 -5.18 116.55 114.82 2gri n ASP 111 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 2gri n ASP 111 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 2gri n ASP 111 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02