#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 1.42 -2.04 0.00 -0.04 -1.26 -4.92 135.00 128.16 2gri n PRO 2 Ca 0.00 -1.74 -0.31 0.00 -0.04 0.00 0.00 63.50 61.41 2gri n PRO 2 Cb 0.00 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 30.62 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 5.03 4.70 0.23 0.52 1.01 -1.26 -4.59 121.20 126.84 2gri s ILE 3 Ca 0.56 0.87 -0.04 0.00 0.00 0.00 0.00 60.65 62.04 2gri s ILE 3 Cb 0.14 -3.84 0.06 0.00 0.01 0.00 0.00 42.46 38.82 2gri s ILE 3 CO 0.12 -1.04 0.13 0.29 0.00 0.00 0.00 174.94 174.44 2gri n LYS 4 N -2.50 -1.87 0.00 2.79 4.76 0.94 -4.93 118.16 117.35 2gri n LYS 4 Ca 0.06 -0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 2gri n LYS 4 Cb 0.54 -0.30 0.00 0.00 -1.84 0.00 0.00 35.03 33.43 2gri n LYS 4 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2gri n GLY 5 N -0.78 -2.37 2.87 0.72 0.00 -1.26 -4.27 105.19 100.10 2gri n GLY 5 Ca 0.02 0.32 -0.28 0.00 0.00 0.00 0.00 46.02 46.08 2gri n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gri s VAL 6 N -0.59 2.72 0.24 1.61 1.01 -1.26 -5.06 120.40 119.07 2gri s VAL 6 Ca 0.00 -4.13 -0.17 0.00 0.00 0.00 0.00 61.98 57.68 2gri s VAL 6 Cb 0.00 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.60 2gri s VAL 6 CO 0.00 -1.01 0.58 -0.89 0.00 0.00 0.00 175.10 173.79 2gri s THR 7 N -1.30 0.01 0.05 3.92 2.01 -1.26 -5.19 115.64 113.88 2gri s THR 7 Ca 0.25 -1.07 -0.00 0.00 0.31 0.00 0.00 61.69 61.17 2gri s THR 7 Cb -0.05 -1.95 0.00 0.00 0.01 0.00 0.00 72.50 70.51 2gri s THR 7 CO -0.16 -0.03 0.07 2.22 -0.69 0.00 0.00 174.62 176.03 2gri n PHE 8 N -0.40 -0.64 -1.50 4.92 -1.74 -1.26 -4.68 117.46 112.16 2gri n PHE 8 Ca -0.05 -0.31 -0.41 0.00 -0.56 0.00 0.00 57.45 56.12 2gri n PHE 8 Cb 0.61 0.08 -0.12 0.00 1.52 0.00 0.00 39.48 41.57 2gri n PHE 8 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2gri n GLY 9 N -0.08 -0.31 0.00 4.97 0.00 -1.26 -4.67 105.19 103.85 2gri n GLY 9 Ca -0.00 1.05 0.03 0.00 0.00 0.00 0.00 46.02 47.10 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 8.55 1.46 0.15 1.61 -0.58 -1.26 -4.98 120.64 125.59 2gri n GLU 10 Ca 0.59 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 57.29 2gri n GLU 10 Cb 0.14 -1.05 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 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 -1.57 -2.74 -3.73 1.62 2.03 -1.26 -5.13 116.55 105.78 2gri n ASP 11 Ca -0.01 0.77 0.02 0.00 0.52 0.00 0.00 54.79 56.09 2gri n ASP 11 Cb 0.15 2.72 0.01 0.00 -0.72 0.00 0.00 41.12 43.27 2gri n ASP 11 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2gri s THR 12 N -2.00 0.00 0.60 5.18 -1.32 -1.26 -5.09 115.64 111.75 2gri s THR 12 Ca 0.00 -0.21 -0.08 0.00 -1.21 0.00 0.00 61.69 60.19 2gri s THR 12 Cb 0.00 -2.64 -0.01 0.00 -1.51 0.00 0.00 72.50 68.35 2gri s THR 12 CO 0.00 0.00 0.94 -0.69 -2.21 0.00 0.00 174.62 172.66 2gri s VAL 13 N -2.16 4.00 -1.64 5.08 1.01 -1.26 -2.83 120.40 122.60 2gri s VAL 13 Ca 0.24 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2gri s VAL 13 Cb 0.01 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2gri s VAL 13 CO -0.01 -0.67 0.00 0.79 0.00 0.00 0.00 175.10 175.21 2gri n TRP 14 N -2.64 0.00 0.00 5.22 7.02 -1.26 -4.60 117.44 121.18 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 -3.00 0.00 0.00 -2.42 0.00 0.00 31.31 26.45 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 -1.74 0.00 0.00 -0.99 -0.58 -1.25 -4.96 120.64 111.12 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 0.61 -0.44 0.00 0.00 -0.57 0.00 0.00 31.44 31.03 2gri n GLU 15 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2gri n VAL 16 N -1.30 0.00 -0.28 2.62 0.31 -1.13 -4.74 118.33 113.81 2gri n VAL 16 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.41 2gri n VAL 16 Cb 0.00 -0.70 0.23 0.00 -0.91 0.00 0.00 33.84 32.45 2gri n VAL 16 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2gri h GLN 17 N 0.00 0.42 -0.53 5.55 4.15 -1.90 -3.43 115.11 119.38 2gri h GLN 17 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2gri h GLN 17 Cb 0.90 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.49 2gri h GLN 17 CO 0.00 0.28 0.00 0.41 -1.93 0.00 0.00 178.83 177.59 2gri n GLY 18 N -1.33 0.87 3.50 2.39 0.00 -1.26 -0.04 105.19 109.31 2gri n GLY 18 Ca 0.17 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.53 -0.02 0.25 1.61 2.02 -1.26 -2.44 117.35 114.99 2gri s TYR 19 Ca 0.00 -0.33 0.05 0.00 -0.37 0.00 0.00 57.07 56.42 2gri s TYR 19 Cb 0.00 0.31 -0.02 0.00 -0.40 0.00 0.00 41.96 41.85 2gri s TYR 19 CO 0.00 -0.89 0.19 1.63 -1.57 0.00 0.00 175.55 174.91 2gri n LYS 20 N -0.32 0.35 -3.73 -0.62 4.01 -0.37 -4.41 118.16 113.07 2gri n LYS 20 Ca -0.09 -2.45 -0.28 0.00 -0.51 0.00 0.00 58.31 54.97 2gri n LYS 20 Cb 0.62 1.91 -0.16 0.00 -0.51 0.00 0.00 35.03 36.89 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 -2.73 3.13 -0.22 4.39 0.01 -1.26 -2.79 114.94 115.47 2gri s ASN 21 Ca 0.27 -0.97 -0.01 0.00 -0.71 0.00 0.00 52.86 51.44 2gri s ASN 21 Cb 0.01 -0.64 0.02 0.00 0.41 0.00 0.00 41.25 41.05 2gri s ASN 21 CO 0.19 -0.32 -0.09 0.54 -1.51 0.00 0.00 177.10 175.90 2gri s VAL 22 N 1.82 2.79 0.29 1.60 0.11 -1.09 -4.62 120.40 121.30 2gri s VAL 22 Ca 0.01 -0.86 -0.01 0.00 -2.93 0.00 0.00 61.98 58.18 2gri s VAL 22 Cb -0.17 -2.32 -0.04 0.00 -1.53 0.00 0.00 36.38 32.32 2gri s VAL 22 CO -0.12 0.35 0.50 -0.13 -3.33 0.00 0.00 175.10 172.37 2gri s ARG 23 N 1.35 3.53 -0.03 1.54 3.00 0.59 -3.33 118.95 125.60 2gri s ARG 23 Ca 0.03 -0.26 0.04 0.00 0.00 0.00 0.00 55.73 55.54 2gri s ARG 23 Cb -0.15 -2.71 -0.00 0.00 0.00 0.00 0.00 34.95 32.08 2gri s ARG 23 CO -0.06 0.24 -0.16 0.42 0.00 0.00 0.00 175.30 175.74 2gri s ILE 24 N -2.13 1.28 -0.50 1.52 1.09 -1.12 -0.72 121.20 120.63 2gri s ILE 24 Ca 0.40 -0.65 0.06 0.00 -1.10 0.00 0.00 60.65 59.36 2gri s ILE 24 Cb -0.10 -1.10 0.19 0.00 -1.06 0.00 0.00 42.46 40.39 2gri s ILE 24 CO 0.32 0.37 0.76 -0.89 -0.10 0.00 0.00 174.94 175.41 2gri s THR 25 N -0.06 -0.93 0.00 2.92 2.01 -1.24 -4.93 115.64 113.40 2gri s THR 25 Ca -0.01 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.09 2gri s THR 25 Cb -0.09 0.00 0.00 0.00 0.01 0.00 0.00 72.50 72.42 2gri s THR 25 CO 0.01 0.00 0.00 0.33 -0.69 0.00 0.00 174.62 174.27 2gri n PHE 26 N 2.95 0.00 0.00 4.92 7.35 -1.26 -4.88 117.46 126.54 2gri n PHE 26 Ca 0.17 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.86 2gri n PHE 26 Cb 0.57 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.40 2gri n PHE 26 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2gri n GLU 27 N -1.52 0.00 0.10 -4.13 -0.58 -1.26 -5.00 120.64 108.25 2gri n GLU 27 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2gri n GLU 27 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2gri n GLU 27 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2gri n LEU 28 N 0.00 -0.65 0.00 -4.62 -0.00 -1.26 -4.81 117.00 105.66 2gri n LEU 28 Ca 0.00 0.37 -0.12 0.00 -0.00 0.00 0.00 56.01 56.26 2gri n LEU 28 Cb 0.00 0.77 -0.03 0.00 -0.00 0.00 0.00 43.42 44.16 2gri n LEU 28 CO 0.00 -0.54 -0.08 0.47 -0.00 0.00 0.00 177.39 177.23 2gri n ASP 29 N -3.12 1.78 0.00 1.96 9.92 -1.26 -5.06 116.55 120.77 2gri n ASP 29 Ca 0.00 -1.92 0.00 0.00 -0.53 0.00 0.00 54.79 52.34 2gri n ASP 29 Cb 0.00 0.30 0.00 0.00 -0.64 0.00 0.00 41.12 40.78 2gri n ASP 29 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2gri n GLU 30 N -0.45 3.20 -0.05 -1.24 0.28 -1.26 -4.60 120.64 116.52 2gri n GLU 30 Ca -0.05 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.88 2gri n GLU 30 Cb 0.26 -1.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.07 2gri n GLU 30 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 2gri n ARG 31 N -2.08 1.45 -1.53 3.44 1.85 -1.26 -4.63 116.66 113.90 2gri n ARG 31 Ca 0.00 0.03 -0.31 0.00 -1.00 0.00 0.00 57.85 56.57 2gri n ARG 31 Cb 0.50 -1.24 0.06 0.00 -1.05 0.00 0.00 32.46 30.73 2gri n ARG 31 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 2gri n VAL 32 N -2.58 3.30 -0.08 8.89 0.24 -1.26 -4.59 118.33 122.24 2gri n VAL 32 Ca -0.18 -3.30 -0.19 0.00 -2.04 0.00 0.00 64.34 58.63 2gri n VAL 32 Cb 0.76 -1.14 -0.12 0.00 -1.47 0.00 0.00 33.84 31.87 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 2.03 0.03 -0.16 -1.34 3.58 -1.82 -3.34 116.42 115.41 2gri h ASP 33 Ca 0.54 -0.69 0.05 0.00 0.42 0.00 0.00 57.03 57.34 2gri h ASP 33 Cb 1.06 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 2gri h ASP 33 CO 1.34 1.35 0.27 0.07 -2.88 0.00 0.00 179.24 179.38 2gri h LYS 34 N -0.94 0.00 0.00 0.28 -0.00 -1.93 0.29 116.57 114.26 2gri h LYS 34 Ca -0.24 0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.38 2gri h LYS 34 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.47 2gri h LYS 34 CO -0.12 0.00 -0.17 0.28 -0.00 0.00 0.00 179.45 179.43 2gri h VAL 35 N 0.00 0.49 -0.02 0.07 2.07 -1.89 0.22 116.25 117.19 2gri h VAL 35 Ca 0.07 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2gri h VAL 35 Cb 0.61 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2gri h VAL 35 CO -0.00 0.17 -0.08 0.00 0.02 0.00 0.00 177.57 177.68 2gri n LEU 36 N -3.41 2.52 0.00 2.57 -0.00 0.99 -2.44 117.00 117.22 2gri n LEU 36 Ca -0.00 -0.85 0.00 0.00 -0.00 0.00 0.00 56.01 55.16 2gri n LEU 36 Cb 0.36 -0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.78 2gri n LEU 36 CO 0.32 0.43 0.03 -0.46 -0.00 0.00 0.00 177.39 177.70 2gri n ASN 37 N 0.86 0.12 -0.00 1.45 6.94 -0.89 -3.66 115.26 120.08 2gri n ASN 37 Ca 0.14 -0.55 -0.00 0.00 -0.02 0.00 0.00 54.58 54.15 2gri n ASN 37 Cb 0.53 0.87 -0.00 0.00 -2.36 0.00 0.00 39.78 38.82 2gri n ASN 37 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 2gri n GLU 38 N -0.87 3.91 0.01 -3.83 0.28 0.74 -4.38 120.64 116.50 2gri n GLU 38 Ca 0.00 -0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.11 2gri n GLU 38 Cb 0.00 -1.00 0.01 0.00 1.43 0.00 0.00 31.44 31.88 2gri n GLU 38 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2gri n LYS 39 N -2.01 0.17 0.00 3.44 3.00 -1.02 -4.80 118.16 116.93 2gri n LYS 39 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 2gri n LYS 39 Cb 0.50 -1.54 0.00 0.00 0.00 0.00 0.00 35.03 33.99 2gri n LYS 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2gri n SER 41 N 0.00 4.23 -4.69 0.00 3.41 -1.24 -4.28 113.62 111.04 2gri n SER 41 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 2gri n SER 41 Cb 0.00 0.98 -0.09 0.00 -0.26 0.00 0.00 64.21 64.84 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 -2.19 4.29 0.11 -3.33 0.11 -1.26 -2.78 120.40 115.35 2gri s VAL 42 Ca -0.01 -0.44 -0.03 0.00 -2.93 0.00 0.00 61.98 58.57 2gri s VAL 42 Cb 0.02 -2.88 -0.03 0.00 -1.53 0.00 0.00 36.38 31.96 2gri s VAL 42 CO 0.14 0.46 0.08 -0.31 -3.33 0.00 0.00 175.10 172.14 2gri s TYR 43 N -1.02 0.65 -0.03 1.54 1.51 -1.21 -5.03 117.35 113.75 2gri s TYR 43 Ca 0.18 -1.07 0.03 0.00 -1.01 0.00 0.00 57.07 55.19 2gri s TYR 43 Cb -0.11 -0.36 -0.03 0.00 -0.11 0.00 0.00 41.96 41.35 2gri s TYR 43 CO 0.08 -0.52 -0.09 0.99 -1.11 0.00 0.00 175.55 174.90 2gri s THR 44 N -3.99 3.52 -0.10 -0.71 2.01 -1.26 -2.65 115.64 112.46 2gri s THR 44 Ca 0.17 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.48 2gri s THR 44 Cb 0.07 -2.47 0.03 0.00 0.01 0.00 0.00 72.50 70.14 2gri s THR 44 CO -0.03 0.50 -0.01 0.54 -0.69 0.00 0.00 174.62 174.94 2gri s VAL 45 N -0.88 0.54 1.35 3.82 0.11 -1.12 -4.93 120.40 119.30 2gri s VAL 45 Ca 0.14 -0.08 -0.22 0.00 -2.93 0.00 0.00 61.98 58.90 2gri s VAL 45 Cb -0.11 -0.73 0.34 0.00 -1.53 0.00 0.00 36.38 34.35 2gri s VAL 45 CO 0.04 0.20 0.76 1.21 -3.33 0.00 0.00 175.10 173.97 2gri n GLU 46 N 5.09 -4.05 0.00 1.54 0.00 -1.26 -1.24 120.64 120.72 2gri n GLU 46 Ca -0.08 -1.27 0.15 0.00 0.00 0.00 0.00 57.16 55.95 2gri n GLU 46 Cb 0.49 -1.79 0.78 0.00 0.00 0.00 0.00 31.44 30.92 2gri n GLU 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2gri n SER 47 N -4.73 0.59 -3.25 4.31 2.88 -1.02 -4.22 113.62 108.18 2gri n SER 47 Ca 0.12 -1.17 -0.25 0.00 -1.33 0.00 0.00 58.87 56.24 2gri n SER 47 Cb 0.52 -0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.91 2gri n SER 47 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gri n GLY 48 N 1.08 3.53 3.27 0.46 0.00 -1.26 -5.10 105.19 107.17 2gri n GLY 48 Ca 0.22 -1.95 -0.15 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.72 1.10 0.22 2.61 2.01 -1.26 -5.17 115.64 113.44 2gri s THR 49 Ca 0.37 -2.05 0.09 0.00 0.31 0.00 0.00 61.69 60.42 2gri s THR 49 Cb 0.18 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 2gri s THR 49 CO -0.08 -0.63 -0.08 -1.61 -0.69 0.00 0.00 174.62 171.53 2gri s GLU 50 N -3.79 2.08 0.46 4.92 0.41 -1.26 -5.00 118.70 116.52 2gri s GLU 50 Ca 0.20 -1.37 0.31 0.00 -0.41 0.00 0.00 54.97 53.70 2gri s GLU 50 Cb 0.04 -2.11 1.62 0.00 -1.78 0.00 0.00 34.13 31.89 2gri s GLU 50 CO 0.03 0.40 1.95 0.28 -0.49 0.00 0.00 175.26 177.43 2gri h VAL 51 N 2.45 0.00 0.00 2.63 2.07 -1.95 -0.75 116.25 120.70 2gri h VAL 51 Ca -0.45 -0.08 -0.11 0.00 0.82 0.00 0.00 66.70 66.87 2gri h VAL 51 Cb 1.22 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 2gri h VAL 51 CO 0.56 0.00 -1.26 0.00 0.02 0.00 0.00 177.57 176.90 2gri h THR 52 N 0.00 0.34 0.00 2.57 1.03 -1.97 -3.34 112.91 111.54 2gri h THR 52 Ca 0.00 -1.68 -0.06 0.00 -0.01 0.00 0.00 66.41 64.66 2gri h THR 52 Cb 0.10 1.87 -0.01 0.00 -1.07 0.00 0.00 68.15 69.04 2gri h THR 52 CO 0.00 0.20 -0.27 -0.08 -0.01 0.00 0.00 175.52 175.35 2gri h GLU 53 N 0.00 0.00 0.00 0.00 4.57 -1.53 -1.80 114.58 115.82 2gri h GLU 53 Ca -0.11 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2gri h GLU 53 Cb 1.40 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.99 2gri h GLU 53 CO 0.03 0.27 0.00 0.74 -1.18 0.00 0.00 179.01 178.88 2gri h PHE 54 N 0.00 0.00 0.00 0.92 0.04 -1.68 -3.05 116.94 113.17 2gri h PHE 54 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2gri h PHE 54 Cb 0.50 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.65 2gri h PHE 54 CO 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.71 2gri n ALA 55 N -1.87 2.37 0.01 2.45 0.00 -0.68 -1.85 120.51 120.94 2gri n ALA 55 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2gri n ALA 55 Cb 0.43 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.46 2gri n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gri n VAL 57 N -0.13 0.11 1.09 0.00 3.14 -1.09 -4.49 118.33 116.97 2gri n VAL 57 Ca 0.00 -0.10 0.12 0.00 -2.96 0.00 0.00 64.34 61.40 2gri n VAL 57 Cb 0.08 -0.41 0.14 0.00 -1.06 0.00 0.00 33.84 32.58 2gri n VAL 57 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2gri n VAL 58 N -1.91 0.00 -0.03 1.55 0.31 -0.77 -2.76 118.33 114.72 2gri n VAL 58 Ca -0.03 -0.31 0.07 0.00 -0.01 0.00 0.00 64.34 64.06 2gri n VAL 58 Cb 0.39 1.13 -0.17 0.00 -0.91 0.00 0.00 33.84 34.28 2gri n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gri n ALA 59 N 0.32 2.53 -0.09 3.52 0.00 -1.26 -4.26 120.51 121.27 2gri n ALA 59 Ca 0.12 -0.69 -0.20 0.00 0.00 0.00 0.00 53.44 52.67 2gri n ALA 59 Cb 0.48 -0.63 -0.07 0.00 0.00 0.00 0.00 19.45 19.23 2gri n ALA 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2gri n GLU 60 N -2.36 0.40 -0.17 0.00 1.02 -1.26 -4.21 120.64 114.06 2gri n GLU 60 Ca -0.10 0.18 0.28 0.00 -0.02 0.00 0.00 57.16 57.49 2gri n GLU 60 Cb 0.69 -1.17 0.72 0.00 -0.02 0.00 0.00 31.44 31.66 2gri n GLU 60 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gri h ALA 61 N -0.67 2.82 -0.01 0.62 0.00 -1.78 -0.75 119.26 119.48 2gri h ALA 61 Ca -0.48 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2gri h ALA 61 Cb 1.42 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2gri h ALA 61 CO -0.29 -1.07 -0.11 0.28 0.00 0.00 0.00 179.25 178.06 2gri h VAL 62 N 0.01 1.54 -0.88 0.00 2.07 -1.79 -3.28 116.25 113.92 2gri h VAL 62 Ca 0.42 -1.74 0.22 0.00 0.82 0.00 0.00 66.70 66.41 2gri h VAL 62 Cb 1.66 2.65 -0.12 0.00 -1.52 0.00 0.00 31.29 33.95 2gri h VAL 62 CO -0.01 0.47 0.37 0.58 0.02 0.00 0.00 177.57 179.00 2gri h VAL 63 N -0.57 0.47 -0.40 2.57 2.07 -1.31 0.37 116.25 119.45 2gri h VAL 63 Ca -0.01 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.46 2gri h VAL 63 Cb 0.82 0.06 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 2gri h VAL 63 CO 0.02 0.07 -0.11 0.11 0.02 0.00 0.00 177.57 177.68 2gri h LYS 64 N 0.38 -0.02 -0.03 1.57 1.57 -1.55 0.21 116.57 118.71 2gri h LYS 64 Ca 0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 2gri h LYS 64 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2gri h LYS 64 CO -0.53 -0.01 0.00 0.25 -0.57 0.00 0.00 179.45 178.58 2gri n THR 65 N -5.32 0.02 -1.73 -0.16 -2.24 -0.06 -3.68 114.28 101.11 2gri n THR 65 Ca 0.02 -0.20 0.06 0.00 -2.27 0.00 0.00 64.05 61.66 2gri n THR 65 Cb 0.23 0.25 0.18 0.00 -2.10 0.00 0.00 70.33 68.89 2gri n THR 65 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2gri n LEU 66 N -0.09 2.46 -1.78 3.22 7.99 0.11 -4.70 117.00 124.21 2gri n LEU 66 Ca 0.20 -3.63 -0.08 0.00 -0.01 0.00 0.00 56.01 52.49 2gri n LEU 66 Cb 0.29 -0.45 0.07 0.00 -0.11 0.00 0.00 43.42 43.22 2gri n LEU 66 CO 0.16 1.27 0.17 0.00 -1.51 0.00 0.00 177.39 177.49 2gri n GLN 67 N -0.89 2.25 -0.02 3.23 -0.00 0.46 -4.83 117.38 117.58 2gri n GLN 67 Ca 0.17 -3.54 -0.13 0.00 -0.00 0.00 0.00 57.00 53.50 2gri n GLN 67 Cb 0.76 -1.68 -0.09 0.00 -0.00 0.00 0.00 30.24 29.22 2gri n GLN 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2gri h PRO 68 N 1.83 0.08 -1.16 2.61 0.13 -1.84 -3.41 132.00 130.24 2gri h PRO 68 Ca 0.09 -0.04 -0.39 0.00 -0.87 0.00 0.00 66.00 64.79 2gri h PRO 68 Cb 1.39 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.23 2gri h PRO 68 CO 0.36 0.55 -0.87 1.33 -0.23 0.00 0.00 178.00 179.14 2gri n VAL 69 N -4.79 -0.19 0.49 1.56 0.24 -1.26 -4.94 118.33 109.45 2gri n VAL 69 Ca -0.08 -3.19 0.08 0.00 -2.04 0.00 0.00 64.34 59.10 2gri n VAL 69 Cb 0.27 0.19 0.34 0.00 -1.47 0.00 0.00 33.84 33.17 2gri n VAL 69 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2gri n SER 70 N 0.66 0.09 0.10 -1.34 3.41 -1.26 -2.46 113.62 112.83 2gri n SER 70 Ca 0.17 0.52 0.09 0.00 -0.26 0.00 0.00 58.87 59.39 2gri n SER 70 Cb 0.65 -0.54 0.43 0.00 -0.26 0.00 0.00 64.21 64.49 2gri n SER 70 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2gri n ASP 71 N -1.60 0.45 -0.03 4.04 5.75 -1.26 -1.98 116.55 121.93 2gri n ASP 71 Ca 0.03 0.65 0.03 0.00 -0.01 0.00 0.00 54.79 55.49 2gri n ASP 71 Cb 0.18 -0.73 -0.13 0.00 -1.03 0.00 0.00 41.12 39.41 2gri n ASP 71 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gri n LEU 72 N -2.04 0.00 0.15 -2.12 -0.00 -1.03 -4.39 117.00 107.58 2gri n LEU 72 Ca 0.01 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.05 2gri n LEU 72 Cb 0.14 0.13 0.11 0.00 -0.00 0.00 0.00 43.42 43.80 2gri n LEU 72 CO 0.14 0.13 0.52 -0.07 -0.00 0.00 0.00 177.39 178.11 2gri h LEU 73 N 0.00 0.00 -1.78 1.47 3.38 -1.51 -3.10 115.31 113.77 2gri h LEU 73 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2gri h LEU 73 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2gri h LEU 73 CO 0.01 0.48 0.00 0.74 0.09 0.00 0.00 178.44 179.76 2gri h THR 74 N 0.00 0.00 -0.01 0.22 2.02 -1.43 0.07 112.91 113.78 2gri h THR 74 Ca -0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2gri h THR 74 Cb 1.26 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 2gri h THR 74 CO 0.06 0.00 -0.41 -0.46 0.37 0.00 0.00 175.52 175.08 2gri n ASN 75 N -2.75 1.19 -0.02 4.18 6.94 -1.18 -4.42 115.26 119.20 2gri n ASN 75 Ca -0.01 -1.10 -0.01 0.00 -0.02 0.00 0.00 54.58 53.44 2gri n ASN 75 Cb 0.16 0.65 -0.13 0.00 -2.36 0.00 0.00 39.78 38.11 2gri n ASN 75 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 2gri n MET 76 N -0.56 0.65 0.00 -3.83 2.81 -0.59 -4.98 117.12 110.62 2gri n MET 76 Ca 0.05 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 2gri n MET 76 Cb 0.27 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 2gri n MET 76 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2gri n GLY 77 N 1.49 1.74 2.84 3.03 0.00 -0.65 -5.10 105.19 108.54 2gri n GLY 77 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.90 1.07 -0.06 -0.61 1.01 -0.09 -5.04 121.20 115.58 2gri s ILE 78 Ca 0.00 -1.02 -0.25 0.00 0.00 0.00 0.00 60.65 59.38 2gri s ILE 78 Cb 0.00 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 2gri s ILE 78 CO 0.00 -0.23 0.75 -0.62 0.00 0.00 0.00 174.94 174.84 2gri s ASP 79 N 1.59 7.05 -0.05 3.58 2.15 -1.26 -3.36 116.67 126.37 2gri s ASP 79 Ca -0.01 1.26 0.11 0.00 0.43 0.00 0.00 52.55 54.34 2gri s ASP 79 Cb -0.18 -2.44 -0.23 0.00 -0.30 0.00 0.00 42.92 39.77 2gri s ASP 79 CO -0.09 -0.15 0.64 -0.11 -0.17 0.00 0.00 175.17 175.28 2gri n LEU 80 N 3.86 1.03 0.22 -1.34 -0.00 -1.26 -3.91 117.00 115.61 2gri n LEU 80 Ca 0.00 0.40 0.10 0.00 -0.00 0.00 0.00 56.01 56.51 2gri n LEU 80 Cb 0.51 0.06 0.44 0.00 -0.00 0.00 0.00 43.42 44.43 2gri n LEU 80 CO 0.48 0.43 0.80 0.44 -0.00 0.00 0.00 177.39 179.54 2gri h ASP 81 N 0.01 0.00 0.76 1.96 3.32 -1.97 -2.95 116.42 117.54 2gri h ASP 81 Ca -0.30 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.58 2gri h ASP 81 Cb 2.02 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.55 2gri h ASP 81 CO 0.08 0.20 -0.82 1.05 -1.72 0.00 0.00 179.24 178.03 2gri h GLU 82 N 0.00 0.04 -0.85 3.56 4.11 -1.93 -3.25 114.58 116.27 2gri h GLU 82 Ca -0.00 -0.05 0.15 0.00 0.07 0.00 0.00 59.36 59.53 2gri h GLU 82 Cb 0.78 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.95 2gri h GLU 82 CO 0.03 0.84 0.43 -1.49 0.07 0.00 0.00 179.01 178.89 2gri h TRP 83 N 0.02 0.76 -0.24 2.06 4.06 -1.63 0.20 115.95 121.18 2gri h TRP 83 Ca -0.02 0.03 -0.12 0.00 2.06 0.00 0.00 58.89 60.85 2gri h TRP 83 Cb 1.45 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 29.39 2gri h TRP 83 CO 0.01 0.17 -0.34 0.77 -3.56 0.00 0.00 178.44 175.49 2gri h SER 84 N 0.61 0.54 -0.89 -3.49 0.02 -1.70 -3.04 113.55 105.59 2gri h SER 84 Ca 0.46 -0.21 -0.61 0.00 -0.84 0.00 0.00 61.79 60.59 2gri h SER 84 Cb 0.66 -0.15 -0.32 0.00 0.14 0.00 0.00 62.40 62.73 2gri h SER 84 CO -0.37 0.84 0.35 1.33 -1.14 0.00 0.00 176.83 177.84 2gri n VAL 85 N -4.06 3.25 -4.42 2.27 0.24 0.06 -4.97 118.33 110.69 2gri n VAL 85 Ca -0.01 -3.21 -0.21 0.00 -2.04 0.00 0.00 64.34 58.88 2gri n VAL 85 Cb 0.47 -1.06 -0.10 0.00 -1.47 0.00 0.00 33.84 31.67 2gri n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gri s ALA 86 N -3.70 2.27 -0.11 2.33 0.00 0.50 -4.95 121.76 118.09 2gri s ALA 86 Ca 0.60 -1.95 -0.13 0.00 0.00 0.00 0.00 51.96 50.48 2gri s ALA 86 Cb 0.48 0.42 -0.05 0.00 0.00 0.00 0.00 23.12 23.96 2gri s ALA 86 CO 0.01 -0.19 0.29 -0.08 0.00 0.00 0.00 175.76 175.78 2gri s THR 87 N -3.18 5.28 -0.36 0.00 -1.32 -1.26 -4.99 115.64 109.81 2gri s THR 87 Ca 0.32 0.54 0.02 0.00 -1.21 0.00 0.00 61.69 61.37 2gri s THR 87 Cb 0.06 -3.60 0.10 0.00 -1.51 0.00 0.00 72.50 67.55 2gri s THR 87 CO 0.13 0.49 0.09 -0.36 -2.21 0.00 0.00 174.62 172.75 2gri s PHE 88 N -0.23 3.72 0.24 9.09 0.40 -1.26 -4.73 117.98 125.21 2gri s PHE 88 Ca 0.18 -2.87 -0.21 0.00 -0.60 0.00 0.00 56.93 53.43 2gri s PHE 88 Cb -0.14 -3.00 -0.09 0.00 0.51 0.00 0.00 43.02 40.31 2gri s PHE 88 CO 0.06 -0.96 0.78 0.71 0.70 0.00 0.00 175.22 176.51 2gri s TYR 89 N 0.96 3.68 -0.08 0.36 2.02 0.03 -4.57 117.35 119.74 2gri s TYR 89 Ca 0.10 1.49 0.04 0.00 -0.37 0.00 0.00 57.07 58.33 2gri s TYR 89 Cb -0.20 -2.70 0.00 0.00 -0.40 0.00 0.00 41.96 38.67 2gri s TYR 89 CO -0.07 0.32 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.52 2gri s LEU 90 N -1.93 1.94 0.37 -1.29 1.02 -1.26 -0.13 118.68 117.40 2gri s LEU 90 Ca 0.44 -0.46 0.07 0.00 0.02 0.00 0.00 54.13 54.19 2gri s LEU 90 Cb -0.18 -1.20 -0.07 0.00 0.02 0.00 0.00 46.19 44.76 2gri s LEU 90 CO 0.22 0.12 0.00 -0.36 0.02 0.00 0.00 176.35 176.35 2gri s PHE 91 N 0.40 2.34 0.00 0.29 0.08 0.02 -4.37 117.98 116.74 2gri s PHE 91 Ca -0.16 -0.71 0.00 0.00 0.12 0.00 0.00 56.93 56.18 2gri s PHE 91 Cb -0.17 -1.56 0.00 0.00 -0.57 0.00 0.00 43.02 40.72 2gri s PHE 91 CO 0.07 0.36 0.00 -3.47 -0.10 0.00 0.00 175.22 172.07 2gri n ASP 92 N -0.85 0.28 0.00 1.36 2.03 0.50 -1.07 116.55 118.80 2gri n ASP 92 Ca -0.04 -0.69 0.16 0.00 0.52 0.00 0.00 54.79 54.73 2gri n ASP 92 Cb 0.66 0.00 0.89 0.00 -0.72 0.00 0.00 41.12 41.95 2gri n ASP 92 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2gri n ASP 93 N -1.88 0.00 -0.01 1.67 2.03 -1.26 -3.38 116.55 113.71 2gri n ASP 93 Ca 0.00 -0.75 -0.01 0.00 0.52 0.00 0.00 54.79 54.56 2gri n ASP 93 Cb 0.00 -0.08 -0.03 0.00 -0.72 0.00 0.00 41.12 40.28 2gri n ASP 93 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2gri n ALA 94 N -1.08 1.99 0.00 -1.67 0.00 -1.26 -5.03 120.51 113.46 2gri n ALA 94 Ca 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2gri n ALA 94 Cb 0.15 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 2.59 1.98 3.36 0.00 0.00 -1.22 -5.14 105.19 106.76 2gri n GLY 95 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.17 1.36 -1.26 1.61 1.03 -1.26 -4.81 118.70 115.21 2gri s GLU 96 Ca 0.00 -1.51 -0.19 0.00 0.03 0.00 0.00 54.97 53.30 2gri s GLU 96 Cb 0.00 -1.38 0.06 0.00 -0.80 0.00 0.00 34.13 32.01 2gri s GLU 96 CO 0.00 0.27 1.71 -1.21 -1.33 0.00 0.00 175.26 174.70 2gri s GLU 97 N -3.08 3.87 0.40 -4.83 2.02 -1.26 -0.37 118.70 115.45 2gri s GLU 97 Ca 0.20 -1.84 0.07 0.00 0.02 0.00 0.00 54.97 53.42 2gri s GLU 97 Cb -0.05 -5.50 -0.08 0.00 0.10 0.00 0.00 34.13 28.61 2gri s GLU 97 CO 0.08 -2.33 0.02 -0.80 0.02 0.00 0.00 175.26 172.25 2gri s ASN 98 N 4.44 3.92 -0.42 -0.19 0.01 -1.26 -4.90 114.94 116.54 2gri s ASN 98 Ca 0.54 -1.33 0.05 0.00 -0.71 0.00 0.00 52.86 51.41 2gri s ASN 98 Cb 0.03 -0.40 0.43 0.00 0.41 0.00 0.00 41.25 41.71 2gri s ASN 98 CO 0.06 -0.44 1.12 2.22 -1.51 0.00 0.00 177.10 178.55 2gri n PHE 99 N -0.98 3.32 -0.94 2.20 1.16 -1.26 -4.72 117.46 116.23 2gri n PHE 99 Ca -0.05 -2.99 0.00 0.00 -1.87 0.00 0.00 57.45 52.54 2gri n PHE 99 Cb 0.66 -0.12 0.00 0.00 -1.61 0.00 0.00 39.48 38.42 2gri n PHE 99 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 2gri n SER 100 N -0.51 -0.06 0.10 5.98 7.64 -1.26 -4.94 113.62 120.57 2gri n SER 100 Ca 0.40 -0.94 -0.15 0.00 1.01 0.00 0.00 58.87 59.18 2gri n SER 100 Cb 0.70 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.82 2gri n SER 100 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2gri h SER 101 N -0.06 -1.38 -3.01 6.43 0.02 -1.94 -3.41 113.55 110.20 2gri h SER 101 Ca 0.00 0.15 -0.61 0.00 -0.84 0.00 0.00 61.79 60.49 2gri h SER 101 Cb 0.00 0.52 -0.05 0.00 0.14 0.00 0.00 62.40 63.01 2gri h SER 101 CO 0.00 -0.51 -0.21 -0.60 -1.14 0.00 0.00 176.83 174.37 2gri s ARG 102 N -5.86 3.90 -0.20 3.45 3.52 -1.26 -0.30 118.95 122.20 2gri s ARG 102 Ca -0.16 0.39 -0.04 0.00 -0.13 0.00 0.00 55.73 55.79 2gri s ARG 102 Cb 0.07 -3.21 0.09 0.00 -1.56 0.00 0.00 34.95 30.35 2gri s ARG 102 CO 0.63 0.69 0.22 1.41 -0.81 0.00 0.00 175.30 177.43 2gri s MET 103 N -1.12 0.18 0.22 5.12 1.75 0.10 -4.62 119.30 120.93 2gri s MET 103 Ca 0.24 0.25 -0.30 0.00 -1.25 0.00 0.00 55.69 54.63 2gri s MET 103 Cb -0.16 -1.11 -0.08 0.00 2.84 0.00 0.00 34.83 36.31 2gri s MET 103 CO 0.13 -0.62 0.97 0.71 -0.65 0.00 0.00 175.02 175.56 2gri s TYR 104 N 2.33 3.89 -0.44 4.11 2.02 -0.23 -3.70 117.35 125.33 2gri s TYR 104 Ca 0.07 1.86 -0.12 0.00 -0.37 0.00 0.00 57.07 58.50 2gri s TYR 104 Cb -0.15 -3.04 0.08 0.00 -0.40 0.00 0.00 41.96 38.44 2gri s TYR 104 CO -0.12 0.24 0.32 0.00 -1.57 0.00 0.00 175.55 174.43 2gri s SER 106 N 2.37 4.96 0.01 0.00 1.04 0.82 -4.22 113.70 118.68 2gri s SER 106 Ca 0.03 -0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.38 2gri s SER 106 Cb -0.24 -1.27 -0.29 0.00 0.10 0.00 0.00 66.02 64.32 2gri s SER 106 CO 0.04 0.30 0.91 0.15 0.98 0.00 0.00 173.24 175.62 2gri h PHE 107 N 4.57 0.58 -4.19 5.02 3.04 -1.85 0.13 116.94 124.24 2gri h PHE 107 Ca -0.49 -0.42 -0.50 0.00 3.98 0.00 0.00 57.97 60.54 2gri h PHE 107 Cb 1.18 -0.02 0.09 0.00 2.56 0.00 0.00 35.95 39.75 2gri h PHE 107 CO 0.60 1.43 0.38 1.52 -2.02 0.00 0.00 178.31 180.22 2gri s TYR 108 N -2.62 2.77 0.96 0.41 1.13 -1.26 -4.62 117.35 114.12 2gri s TYR 108 Ca -0.09 1.53 -0.12 0.00 -1.41 0.00 0.00 57.07 56.99 2gri s TYR 108 Cb 0.06 -3.11 0.16 0.00 -1.10 0.00 0.00 41.96 37.97 2gri s TYR 108 CO 0.87 -1.45 1.09 -1.25 -2.51 0.00 0.00 175.55 172.30 2gri s PRO 109 N -4.05 0.77 0.00 -3.49 0.04 -1.26 -4.71 135.00 122.31 2gri s PRO 109 Ca 0.66 0.65 -0.24 0.00 0.04 0.00 0.00 61.00 62.11 2gri s PRO 109 Cb -0.19 -1.77 -0.18 0.00 0.04 0.00 0.00 34.50 32.41 2gri s PRO 109 CO 0.39 -2.53 1.30 -1.00 0.04 0.00 0.00 177.00 175.20 2gri h PRO 110 N -1.75 0.15 0.00 0.56 0.13 -1.98 -3.47 132.00 125.63 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 0.59 0.00 -0.25 -0.23 0.00 0.00 178.00 178.67 2gri n ASP 111 N -4.73 0.00 0.00 1.44 9.92 -1.26 -5.19 116.55 116.72 2gri n ASP 111 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 2gri n ASP 111 Cb 0.29 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.77 2gri n ASP 111 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54