#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 0.23 -2.81 0.00 -0.04 -1.26 -4.76 135.00 126.36 2gri n PRO 2 Ca 0.00 0.14 -0.30 0.00 -0.04 0.00 0.00 63.50 63.30 2gri n PRO 2 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 -2.53 4.79 0.67 0.52 1.01 -1.26 -4.61 121.20 119.79 2gri s ILE 3 Ca 0.15 0.59 -0.17 0.00 0.00 0.00 0.00 60.65 61.21 2gri s ILE 3 Cb 0.10 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 2gri s ILE 3 CO 0.22 -0.56 1.07 1.17 0.00 0.00 0.00 174.94 176.83 2gri n LYS 4 N -1.42 0.78 -0.25 2.79 3.00 -1.26 -4.88 118.16 116.92 2gri n LYS 4 Ca 0.02 0.32 0.06 0.00 -0.00 0.00 0.00 58.31 58.71 2gri n LYS 4 Cb 0.54 -2.30 0.18 0.00 0.00 0.00 0.00 35.03 33.45 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 0.16 1.01 -5.39 3.14 0.00 -1.96 -2.08 103.07 97.95 2gri h GLY 5 Ca -0.49 -0.02 -0.71 0.00 0.00 0.00 0.00 47.33 46.11 2gri h GLY 5 CO 0.50 -0.21 0.37 -0.62 0.00 0.00 0.00 176.54 176.57 2gri n VAL 6 N -5.18 4.11 -3.58 4.60 0.31 -1.26 -4.96 118.33 112.37 2gri n VAL 6 Ca 0.14 -5.25 -0.15 0.00 -0.01 0.00 0.00 64.34 59.07 2gri n VAL 6 Cb 0.47 -1.38 -0.06 0.00 -0.91 0.00 0.00 33.84 31.95 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 -4.79 0.00 -0.30 2.52 2.01 -0.78 -5.17 115.64 109.14 2gri s THR 7 Ca 0.46 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 62.30 2gri s THR 7 Cb 0.32 -1.00 0.17 0.00 0.01 0.00 0.00 72.50 71.99 2gri s THR 7 CO -0.22 0.00 1.07 0.72 -0.69 0.00 0.00 174.62 175.49 2gri s PHE 8 N -0.46 -0.45 -1.48 4.92 -0.71 -1.26 -4.27 117.98 114.27 2gri s PHE 8 Ca -0.04 0.86 -0.06 0.00 -1.04 0.00 0.00 56.93 56.64 2gri s PHE 8 Cb -0.02 0.27 0.05 0.00 -1.21 0.00 0.00 43.02 42.11 2gri s PHE 8 CO 0.04 -0.22 0.63 0.41 -1.34 0.00 0.00 175.22 174.73 2gri n GLY 9 N 4.00 -0.32 0.11 1.99 0.00 -1.26 -4.88 105.19 104.83 2gri n GLY 9 Ca -0.15 0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2gri n GLY 9 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2gri h GLU 10 N -1.81 0.17 0.00 1.61 4.39 -2.01 -3.47 114.58 113.46 2gri h GLU 10 Ca -0.61 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 58.80 2gri h GLU 10 Cb 1.37 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 2gri h GLU 10 CO 0.66 0.95 0.00 -3.47 -1.16 0.00 0.00 179.01 175.99 2gri n ASP 11 N -3.34 -0.20 -3.64 1.42 -0.08 -1.26 -5.16 116.55 104.28 2gri n ASP 11 Ca -0.20 0.08 -0.04 0.00 -1.51 0.00 0.00 54.79 53.12 2gri n ASP 11 Cb 1.04 0.37 -0.06 0.00 2.34 0.00 0.00 41.12 44.81 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 -1.11 0.00 0.83 5.18 -1.32 -1.26 -5.10 115.64 112.86 2gri s THR 12 Ca 0.00 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.36 2gri s THR 12 Cb 0.00 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.09 2gri s THR 12 CO 0.00 0.00 1.16 -0.69 -2.21 0.00 0.00 174.62 172.88 2gri s VAL 13 N -0.20 2.35 -0.41 5.08 1.01 -1.26 -2.45 120.40 124.52 2gri s VAL 13 Ca 0.07 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2gri s VAL 13 Cb -0.04 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.92 2gri s VAL 13 CO -0.12 -0.13 0.00 0.79 0.00 0.00 0.00 175.10 175.64 2gri n TRP 14 N -3.60 0.00 -1.68 5.22 7.02 -1.26 -4.60 117.44 118.53 2gri n TRP 14 Ca 0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.60 2gri n TRP 14 Cb 0.52 -1.93 0.00 0.00 -2.42 0.00 0.00 31.31 27.48 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 -0.37 0.00 0.00 -0.99 1.02 -1.07 -4.94 120.64 114.29 2gri n GLU 15 Ca -0.04 -0.22 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 2gri n GLU 15 Cb 0.44 -0.19 0.00 0.00 -0.02 0.00 0.00 31.44 31.67 2gri n GLU 15 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2gri n VAL 16 N 0.00 0.00 0.31 2.62 3.14 -1.03 -4.79 118.33 118.58 2gri n VAL 16 Ca 0.00 0.00 0.18 0.00 -2.96 0.00 0.00 64.34 61.56 2gri n VAL 16 Cb 0.51 0.00 1.01 0.00 -1.06 0.00 0.00 33.84 34.31 2gri n VAL 16 CO 0.00 0.00 0.00 0.06 -6.46 0.00 0.00 176.83 170.43 2gri h GLN 17 N 0.00 0.00 -3.04 1.45 -0.00 -1.84 -3.45 115.11 108.23 2gri h GLN 17 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.47 2gri h GLN 17 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 27.48 27.54 2gri h GLN 17 CO 0.00 0.01 -0.29 0.41 -0.00 0.00 0.00 178.83 178.95 2gri n GLY 18 N -1.19 0.29 3.58 0.06 0.00 -1.26 -4.22 105.19 102.46 2gri n GLY 18 Ca -0.03 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.11 -0.25 0.34 1.61 2.02 -1.26 -3.44 117.35 113.26 2gri s TYR 19 Ca 0.25 -0.09 0.06 0.00 -0.37 0.00 0.00 57.07 56.92 2gri s TYR 19 Cb -0.11 0.52 -0.02 0.00 -0.40 0.00 0.00 41.96 41.95 2gri s TYR 19 CO 0.30 -0.99 0.34 1.63 -1.57 0.00 0.00 175.55 175.27 2gri n LYS 20 N -0.38 0.49 -4.16 -0.62 4.01 0.89 -4.60 118.16 113.79 2gri n LYS 20 Ca -0.10 -3.30 -0.24 0.00 -0.51 0.00 0.00 58.31 54.16 2gri n LYS 20 Cb 0.62 2.80 -0.17 0.00 -0.51 0.00 0.00 35.03 37.78 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 -3.36 1.62 0.04 4.39 0.01 -1.26 -1.55 114.94 114.83 2gri s ASN 21 Ca 0.39 -0.22 0.07 0.00 -0.71 0.00 0.00 52.86 52.38 2gri s ASN 21 Cb 0.01 -0.67 -0.02 0.00 0.41 0.00 0.00 41.25 40.98 2gri s ASN 21 CO 0.27 -0.07 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.92 2gri s VAL 22 N 1.21 1.50 0.19 1.60 1.01 -0.08 -4.71 120.40 121.12 2gri s VAL 22 Ca -0.05 -1.11 0.10 0.00 0.00 0.00 0.00 61.98 60.92 2gri s VAL 22 Cb -0.14 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 2gri s VAL 22 CO -0.02 0.17 -0.22 -0.13 0.00 0.00 0.00 175.10 174.90 2gri s ARG 23 N -1.10 1.45 -0.06 2.72 1.81 -1.14 -0.11 118.95 122.51 2gri s ARG 23 Ca 0.06 -1.51 0.04 0.00 -1.72 0.00 0.00 55.73 52.60 2gri s ARG 23 Cb -0.08 -1.66 -0.02 0.00 -0.45 0.00 0.00 34.95 32.74 2gri s ARG 23 CO 0.01 0.35 -0.18 0.42 -0.68 0.00 0.00 175.30 175.22 2gri s ILE 24 N -1.87 2.70 -0.48 1.52 -1.09 -0.85 -1.53 121.20 119.60 2gri s ILE 24 Ca 0.20 -0.84 0.06 0.00 -2.23 0.00 0.00 60.65 57.84 2gri s ILE 24 Cb -0.07 -2.04 0.26 0.00 -1.58 0.00 0.00 42.46 39.03 2gri s ILE 24 CO 0.09 0.57 0.93 0.41 -1.23 0.00 0.00 174.94 175.72 2gri n THR 25 N 2.70 -0.01 0.00 2.92 -1.04 -1.25 -4.89 114.28 112.70 2gri n THR 25 Ca -0.17 -1.56 0.00 0.00 -2.04 0.00 0.00 64.05 60.28 2gri n THR 25 Cb 0.52 1.43 0.00 0.00 -1.82 0.00 0.00 70.33 70.46 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 1.35 0.00 0.00 -1.42 7.35 -1.26 -4.89 117.46 118.59 2gri n PHE 26 Ca 0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 2gri n PHE 26 Cb 0.64 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.48 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 -1.32 0.00 0.10 -4.13 2.13 -1.26 -5.01 120.64 111.16 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 -1.84 -4.25 4.31 7.94 -1.26 -4.77 117.00 117.13 2gri n LEU 28 Ca 0.00 0.40 -0.17 0.00 -1.11 0.00 0.00 56.01 55.13 2gri n LEU 28 Cb 0.00 1.98 -0.08 0.00 0.53 0.00 0.00 43.42 45.85 2gri n LEU 28 CO 0.00 -0.16 -0.13 -0.62 -1.11 0.00 0.00 177.39 175.37 2gri s ASP 29 N -2.08 1.16 -0.05 1.96 -1.08 -1.26 -5.06 116.67 110.26 2gri s ASP 29 Ca 0.00 -1.63 -0.02 0.00 -0.52 0.00 0.00 52.55 50.39 2gri s ASP 29 Cb 0.00 0.51 -0.03 0.00 -1.46 0.00 0.00 42.92 41.94 2gri s ASP 29 CO 0.00 -1.01 -0.06 -0.62 0.52 0.00 0.00 175.17 174.00 2gri n GLU 30 N -0.51 0.12 0.16 4.34 -0.58 -1.26 -3.91 120.64 119.00 2gri n GLU 30 Ca 0.05 0.05 0.03 0.00 -0.42 0.00 0.00 57.16 56.87 2gri n GLU 30 Cb 0.63 -0.83 0.22 0.00 -0.57 0.00 0.00 31.44 30.89 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 -0.13 0.00 -0.55 3.49 9.65 -2.07 -3.29 114.38 121.47 2gri h ARG 31 Ca -0.13 0.00 -0.37 0.00 -1.10 0.00 0.00 59.98 58.38 2gri h ARG 31 Cb 1.14 0.00 -0.41 0.00 -1.39 0.00 0.00 29.97 29.32 2gri h ARG 31 CO -0.06 0.49 -0.99 1.33 2.80 0.00 0.00 179.97 183.54 2gri n VAL 32 N -3.50 1.79 0.22 0.20 0.24 -1.26 -4.89 118.33 111.13 2gri n VAL 32 Ca 0.00 -3.43 -0.11 0.00 -2.04 0.00 0.00 64.34 58.75 2gri n VAL 32 Cb 0.60 0.27 -0.06 0.00 -1.47 0.00 0.00 33.84 33.18 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 2.38 -0.51 0.19 -1.34 1.82 -1.68 -3.13 116.42 114.15 2gri h ASP 33 Ca 0.07 -0.06 -0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2gri h ASP 33 Cb 1.39 0.13 -0.00 0.00 0.68 0.00 0.00 39.33 41.53 2gri h ASP 33 CO 0.42 -0.09 -0.01 0.07 -1.61 0.00 0.00 179.24 178.02 2gri h LYS 34 N -1.08 0.00 0.00 0.28 -0.00 -1.89 -1.00 116.57 112.88 2gri h LYS 34 Ca -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.59 2gri h LYS 34 Cb 0.54 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.77 2gri h LYS 34 CO 0.10 0.01 -0.01 0.28 -0.00 0.00 0.00 179.45 179.83 2gri h VAL 35 N 0.00 0.04 -0.07 0.07 2.07 -1.90 0.24 116.25 116.69 2gri h VAL 35 Ca -0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2gri h VAL 35 Cb 0.10 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2gri h VAL 35 CO 0.00 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.60 2gri n LEU 36 N -3.12 2.11 0.00 2.57 -0.00 -0.40 -3.86 117.00 114.30 2gri n LEU 36 Ca -0.01 -1.91 0.00 0.00 -0.00 0.00 0.00 56.01 54.09 2gri n LEU 36 Cb 0.21 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 2gri n LEU 36 CO 0.25 0.53 -0.49 -3.20 -0.00 0.00 0.00 177.39 174.47 2gri n ASN 37 N -0.24 4.87 -0.01 1.45 5.15 -0.86 -4.09 115.26 121.53 2gri n ASN 37 Ca 0.02 0.00 0.02 0.00 -0.60 0.00 0.00 54.58 54.02 2gri n ASN 37 Cb 0.27 0.72 -0.06 0.00 -0.53 0.00 0.00 39.78 40.18 2gri n ASN 37 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2gri n GLU 38 N -1.72 1.04 0.00 1.20 0.28 0.78 -4.18 120.64 118.04 2gri n GLU 38 Ca 0.00 -0.05 0.10 0.00 -0.16 0.00 0.00 57.16 57.05 2gri n GLU 38 Cb 0.25 -1.19 -0.03 0.00 1.43 0.00 0.00 31.44 31.89 2gri n GLU 38 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2gri n LYS 39 N -1.94 1.04 -2.68 3.44 5.02 -1.22 -4.81 118.16 117.02 2gri n LYS 39 Ca -0.05 -0.71 -0.01 0.00 -2.02 0.00 0.00 58.31 55.52 2gri n LYS 39 Cb 0.38 -1.45 0.02 0.00 -0.02 0.00 0.00 35.03 33.97 2gri n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gri n SER 41 N 3.02 3.09 -4.77 0.00 3.41 -1.26 -4.12 113.62 112.99 2gri n SER 41 Ca 0.08 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.30 2gri n SER 41 Cb 0.65 0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.67 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 -1.71 4.86 0.01 -3.33 0.11 -1.26 -2.00 120.40 117.08 2gri s VAL 42 Ca 0.00 1.29 -0.04 0.00 -2.93 0.00 0.00 61.98 60.30 2gri s VAL 42 Cb 0.00 -3.95 -0.01 0.00 -1.53 0.00 0.00 36.38 30.89 2gri s VAL 42 CO 0.00 0.43 0.06 -0.31 -3.33 0.00 0.00 175.10 171.95 2gri s TYR 43 N -0.30 0.14 0.35 1.54 1.51 0.84 -4.98 117.35 116.45 2gri s TYR 43 Ca 0.32 -0.32 -0.21 0.00 -1.01 0.00 0.00 57.07 55.85 2gri s TYR 43 Cb -0.19 -0.11 -0.10 0.00 -0.11 0.00 0.00 41.96 41.45 2gri s TYR 43 CO 0.18 -0.24 0.86 0.99 -1.11 0.00 0.00 175.55 176.24 2gri s THR 44 N -1.39 4.44 -0.13 -0.71 2.01 -1.26 -0.90 115.64 117.70 2gri s THR 44 Ca -0.15 1.41 -0.04 0.00 0.31 0.00 0.00 61.69 63.22 2gri s THR 44 Cb -0.09 -3.74 0.05 0.00 0.01 0.00 0.00 72.50 68.74 2gri s THR 44 CO 0.00 -0.10 0.08 0.54 -0.69 0.00 0.00 174.62 174.46 2gri s VAL 45 N -1.90 -0.10 1.17 3.82 0.11 -0.59 -4.91 120.40 118.00 2gri s VAL 45 Ca 0.54 0.03 -0.13 0.00 -2.93 0.00 0.00 61.98 59.50 2gri s VAL 45 Cb -0.13 -0.44 0.29 0.00 -1.53 0.00 0.00 36.38 34.58 2gri s VAL 45 CO 0.18 -0.13 1.02 -0.70 -3.33 0.00 0.00 175.10 172.14 2gri s GLU 46 N 2.15 -1.01 0.00 1.54 -6.30 -1.26 -0.08 118.70 113.75 2gri s GLU 46 Ca 0.03 0.78 0.27 0.00 -2.50 0.00 0.00 54.97 53.55 2gri s GLU 46 Cb -0.15 -1.55 1.30 0.00 0.00 0.00 0.00 34.13 33.73 2gri s GLU 46 CO -0.07 -3.77 1.90 0.45 0.02 0.00 0.00 175.26 173.79 2gri n SER 47 N -4.94 0.00 -0.00 -1.70 2.88 -1.22 -3.23 113.62 105.40 2gri n SER 47 Ca 0.03 0.06 0.05 0.00 -1.33 0.00 0.00 58.87 57.67 2gri n SER 47 Cb 0.55 -0.34 -0.07 0.00 -0.75 0.00 0.00 64.21 63.59 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 1.06 -0.43 3.62 0.46 0.00 -1.26 -5.02 105.19 103.61 2gri n GLY 48 Ca 0.11 -0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.46 2gri n GLY 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2gri n THR 49 N -1.82 2.02 -3.05 2.61 -1.04 -1.20 -4.99 114.28 106.81 2gri n THR 49 Ca -0.02 -0.50 -0.18 0.00 -2.04 0.00 0.00 64.05 61.32 2gri n THR 49 Cb 0.25 -1.15 0.01 0.00 -1.82 0.00 0.00 70.33 67.62 2gri n THR 49 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2gri s GLU 50 N -1.67 2.86 0.15 -2.82 8.01 -1.26 -4.93 118.70 119.05 2gri s GLU 50 Ca 0.58 -1.17 0.19 0.00 0.01 0.00 0.00 54.97 54.58 2gri s GLU 50 Cb -0.66 -2.75 0.82 0.00 -4.31 0.00 0.00 34.13 27.23 2gri s GLU 50 CO 0.60 -0.25 1.59 0.28 0.01 0.00 0.00 175.26 177.49 2gri n VAL 51 N -1.85 0.95 -0.03 2.63 0.31 -1.26 -2.27 118.33 116.82 2gri n VAL 51 Ca 0.07 0.28 -0.04 0.00 -0.01 0.00 0.00 64.34 64.63 2gri n VAL 51 Cb 0.59 -1.15 -0.13 0.00 -0.91 0.00 0.00 33.84 32.24 2gri n VAL 51 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 2gri n THR 52 N -1.93 1.21 -0.22 2.52 5.66 -1.26 -4.22 114.28 116.04 2gri n THR 52 Ca 0.02 -0.75 -0.01 0.00 -3.05 0.00 0.00 64.05 60.27 2gri n THR 52 Cb 0.19 -0.62 0.21 0.00 -1.55 0.00 0.00 70.33 68.55 2gri n THR 52 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2gri h GLU 53 N 0.00 1.00 -0.01 1.09 4.81 -1.84 -1.73 114.58 117.89 2gri h GLU 53 Ca -0.30 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 58.77 2gri h GLU 53 Cb 1.84 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 31.00 2gri h GLU 53 CO 0.04 0.71 -0.26 0.74 -0.73 0.00 0.00 179.01 179.52 2gri h PHE 54 N 1.01 0.03 -0.12 0.92 0.04 -1.73 -2.25 116.94 114.84 2gri h PHE 54 Ca 0.26 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 61.06 2gri h PHE 54 Cb -0.01 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.13 2gri h PHE 54 CO 0.01 0.28 0.16 0.00 -0.60 0.00 0.00 178.31 178.16 2gri h ALA 55 N 1.72 1.66 -0.34 2.45 0.00 -1.49 0.32 119.26 123.57 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 0.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2gri h ALA 55 CO 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.06 2gri n VAL 57 N 0.30 0.00 1.17 0.00 0.31 0.50 -4.48 118.33 116.13 2gri n VAL 57 Ca 0.15 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.60 2gri n VAL 57 Cb 0.56 -0.91 0.24 0.00 -0.91 0.00 0.00 33.84 32.82 2gri n VAL 57 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2gri n VAL 58 N -2.07 0.00 0.44 2.52 0.31 0.82 -3.64 118.33 116.71 2gri n VAL 58 Ca 0.00 -0.21 0.05 0.00 -0.01 0.00 0.00 64.34 64.18 2gri n VAL 58 Cb 0.49 0.78 0.05 0.00 -0.91 0.00 0.00 33.84 34.25 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 -0.23 2.48 -0.08 3.52 0.00 -1.26 -4.12 120.51 120.82 2gri n ALA 59 Ca 0.12 -0.60 -0.10 0.00 0.00 0.00 0.00 53.44 52.86 2gri n ALA 59 Cb 0.41 -0.36 -0.09 0.00 0.00 0.00 0.00 19.45 19.40 2gri n ALA 59 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2gri n GLU 60 N 0.60 0.92 0.07 0.00 -0.00 -1.25 -4.37 120.64 116.61 2gri n GLU 60 Ca 0.06 0.06 -0.11 0.00 -0.00 0.00 0.00 57.16 57.18 2gri n GLU 60 Cb 0.27 -1.35 -0.13 0.00 -0.00 0.00 0.00 31.44 30.24 2gri n GLU 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2gri h ALA 61 N 0.24 0.27 -0.18 -1.84 0.00 -1.80 -3.28 119.26 112.67 2gri h ALA 61 Ca -0.38 -0.93 -0.05 0.00 0.00 0.00 0.00 54.91 53.55 2gri h ALA 61 Cb 1.69 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 2gri h ALA 61 CO -0.03 1.16 -0.12 -0.39 0.00 0.00 0.00 179.25 179.86 2gri h VAL 62 N 0.03 1.19 0.01 0.00 -1.51 -1.81 -2.13 116.25 112.03 2gri h VAL 62 Ca -0.07 -0.83 -0.00 0.00 -1.23 0.00 0.00 66.70 64.57 2gri h VAL 62 Cb 1.86 1.19 -0.00 0.00 -2.13 0.00 0.00 31.29 32.21 2gri h VAL 62 CO 0.16 0.26 -0.01 0.58 -1.23 0.00 0.00 177.57 177.33 2gri h VAL 63 N 0.28 0.00 -0.51 7.19 2.07 -1.76 0.31 116.25 123.83 2gri h VAL 63 Ca 0.06 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.72 2gri h VAL 63 Cb 0.39 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 2gri h VAL 63 CO 0.02 0.00 0.36 0.07 0.02 0.00 0.00 177.57 178.05 2gri h LYS 64 N -0.01 0.02 0.00 1.57 2.10 -1.69 0.27 116.57 118.82 2gri h LYS 64 Ca -0.00 -0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 2gri h LYS 64 Cb 0.01 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.33 2gri h LYS 64 CO 0.00 0.01 -0.32 1.15 -2.00 0.00 0.00 179.45 178.30 2gri h THR 65 N 0.02 0.66 -1.86 0.07 2.02 -1.15 -3.29 112.91 109.38 2gri h THR 65 Ca 0.24 -1.50 -0.58 0.00 0.77 0.00 0.00 66.41 65.34 2gri h THR 65 Cb 0.94 2.00 -0.42 0.00 -1.74 0.00 0.00 68.15 68.93 2gri h THR 65 CO -0.01 0.31 -0.71 0.18 0.37 0.00 0.00 175.52 175.66 2gri n LEU 66 N -3.34 4.45 -1.85 2.58 4.32 0.11 -4.76 117.00 118.51 2gri n LEU 66 Ca 0.01 -5.38 -0.09 0.00 -0.02 0.00 0.00 56.01 50.53 2gri n LEU 66 Cb 0.54 -0.46 0.07 0.00 -1.62 0.00 0.00 43.42 41.95 2gri n LEU 66 CO 0.36 2.28 0.16 0.00 -1.22 0.00 0.00 177.39 178.97 2gri n GLN 67 N -0.35 2.31 -0.03 3.23 6.02 -1.04 -4.83 117.38 122.70 2gri n GLN 67 Ca 0.34 -3.57 -0.13 0.00 -0.01 0.00 0.00 57.00 53.63 2gri n GLN 67 Cb 0.55 -1.71 -0.09 0.00 1.02 0.00 0.00 30.24 30.01 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 1.89 0.15 -0.65 -1.09 0.13 -1.88 -3.41 132.00 127.15 2gri h PRO 68 Ca 0.10 -0.08 -0.32 0.00 -0.87 0.00 0.00 66.00 64.83 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 0.38 0.59 -0.69 1.33 -0.23 0.00 0.00 178.00 179.39 2gri n VAL 69 N -4.73 -0.11 0.78 1.56 0.24 -1.26 -4.95 118.33 109.87 2gri n VAL 69 Ca -0.07 -2.44 0.10 0.00 -2.04 0.00 0.00 64.34 59.88 2gri n VAL 69 Cb 0.30 0.76 0.45 0.00 -1.47 0.00 0.00 33.84 33.88 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 0.71 0.00 0.13 -1.34 3.41 -1.26 -2.72 113.62 112.55 2gri n SER 70 Ca 0.12 0.29 0.12 0.00 -0.26 0.00 0.00 58.87 59.14 2gri n SER 70 Cb 0.66 -0.41 0.50 0.00 -0.26 0.00 0.00 64.21 64.70 2gri n SER 70 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2gri n ASP 71 N -1.41 0.64 -0.05 4.04 8.00 -1.26 -2.28 116.55 124.23 2gri n ASP 71 Ca 0.07 0.67 0.01 0.00 0.71 0.00 0.00 54.79 56.25 2gri n ASP 71 Cb 0.20 -0.80 -0.16 0.00 -0.02 0.00 0.00 41.12 40.33 2gri n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gri n LEU 72 N -2.23 0.00 0.11 0.64 -0.00 -1.10 -4.31 117.00 110.11 2gri n LEU 72 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 56.01 2gri n LEU 72 Cb 0.20 0.23 0.06 0.00 -0.00 0.00 0.00 43.42 43.91 2gri n LEU 72 CO 0.18 0.23 0.38 -0.07 -0.00 0.00 0.00 177.39 178.11 2gri h LEU 73 N 0.00 0.00 -2.70 1.47 3.38 -1.59 -3.01 115.31 112.86 2gri h LEU 73 Ca -0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2gri h LEU 73 Cb 1.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.32 2gri h LEU 73 CO 0.01 0.72 -0.00 0.74 0.09 0.00 0.00 178.44 180.00 2gri h THR 74 N 0.00 0.29 0.00 0.22 2.02 -1.37 0.76 112.91 114.83 2gri h THR 74 Ca -0.01 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2gri h THR 74 Cb 1.38 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.79 2gri h THR 74 CO 0.09 0.00 -1.97 -0.46 0.37 0.00 0.00 175.52 173.56 2gri n ASN 75 N -3.50 0.04 0.11 4.18 0.23 -1.18 -4.26 115.26 110.88 2gri n ASN 75 Ca -0.03 0.02 -0.01 0.00 -0.53 0.00 0.00 54.58 54.03 2gri n ASN 75 Cb 0.08 1.89 -0.03 0.00 -2.08 0.00 0.00 39.78 39.64 2gri n ASN 75 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 2gri h MET 76 N 0.00 0.00 0.00 -3.83 2.86 -1.05 -3.47 114.93 109.43 2gri h MET 76 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2gri h MET 76 Cb 1.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.70 2gri h MET 76 CO 0.00 0.65 0.00 0.41 1.06 0.00 0.00 176.91 179.03 2gri n GLY 77 N 1.28 1.82 2.87 8.32 0.00 -0.34 -5.09 105.19 114.04 2gri n GLY 77 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.96 1.12 -0.04 -0.61 1.01 0.11 -5.03 121.20 115.80 2gri s ILE 78 Ca 0.00 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 59.65 2gri s ILE 78 Cb 0.00 -1.41 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 2gri s ILE 78 CO 0.00 -0.04 0.47 -0.62 0.00 0.00 0.00 174.94 174.75 2gri s ASP 79 N 1.60 6.79 -0.08 3.58 2.15 -1.26 -3.03 116.67 126.42 2gri s ASP 79 Ca -0.02 0.94 0.05 0.00 0.43 0.00 0.00 52.55 53.95 2gri s ASP 79 Cb -0.17 -2.29 -0.24 0.00 -0.30 0.00 0.00 42.92 39.92 2gri s ASP 79 CO -0.07 0.16 0.51 -0.11 -0.17 0.00 0.00 175.17 175.50 2gri n LEU 80 N 2.69 1.56 0.26 -1.34 -0.00 -1.26 -3.89 117.00 115.01 2gri n LEU 80 Ca -0.10 0.31 0.13 0.00 -0.00 0.00 0.00 56.01 56.35 2gri n LEU 80 Cb 0.52 -0.33 0.66 0.00 -0.00 0.00 0.00 43.42 44.26 2gri n LEU 80 CO 0.41 0.58 0.93 0.44 -0.00 0.00 0.00 177.39 179.75 2gri h ASP 81 N 0.03 0.00 0.88 1.96 5.19 -1.98 -2.52 116.42 119.99 2gri h ASP 81 Ca -0.35 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 55.87 2gri h ASP 81 Cb 2.03 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.51 2gri h ASP 81 CO 0.08 0.13 -0.91 1.05 -3.12 0.00 0.00 179.24 176.47 2gri h GLU 82 N 0.00 0.02 -0.39 3.56 4.11 -1.93 -3.20 114.58 116.74 2gri h GLU 82 Ca -0.00 -0.02 0.11 0.00 0.07 0.00 0.00 59.36 59.52 2gri h GLU 82 Cb 0.48 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2gri h GLU 82 CO 0.02 0.91 0.35 -1.49 0.07 0.00 0.00 179.01 178.87 2gri h TRP 83 N 0.01 0.00 0.00 2.06 4.06 -1.56 0.31 115.95 120.83 2gri h TRP 83 Ca -0.01 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.79 2gri h TRP 83 Cb 1.60 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.74 2gri h TRP 83 CO 0.00 0.00 -0.99 0.66 -3.56 0.00 0.00 178.44 174.55 2gri h SER 84 N 0.00 0.00 -0.79 -3.49 4.64 -1.67 -3.34 113.55 108.90 2gri h SER 84 Ca 0.18 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.94 2gri h SER 84 Cb 0.89 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.57 2gri h SER 84 CO -0.00 0.56 -0.56 1.33 -0.87 0.00 0.00 176.83 177.29 2gri n VAL 85 N -3.06 2.70 -4.71 0.95 0.24 0.86 -5.02 118.33 110.29 2gri n VAL 85 Ca -0.04 -4.02 -0.33 0.00 -2.04 0.00 0.00 64.34 57.90 2gri n VAL 85 Cb 0.80 -1.14 -0.06 0.00 -1.47 0.00 0.00 33.84 31.96 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 -0.74 0.48 -3.35 2.33 0.00 0.14 -4.96 120.51 114.41 2gri n ALA 86 Ca 0.47 -2.36 -0.42 0.00 0.00 0.00 0.00 53.44 51.13 2gri n ALA 86 Cb 0.92 1.26 -0.08 0.00 0.00 0.00 0.00 19.45 21.56 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 -2.89 4.58 -0.18 0.00 2.01 -1.26 -5.05 115.64 112.86 2gri s THR 87 Ca 0.03 -1.55 -0.15 0.00 0.31 0.00 0.00 61.69 60.33 2gri s THR 87 Cb -0.00 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 2gri s THR 87 CO 0.02 -0.72 0.35 -0.36 -0.69 0.00 0.00 174.62 173.22 2gri s PHE 88 N 1.47 3.42 0.44 4.92 0.40 -1.26 -4.62 117.98 122.74 2gri s PHE 88 Ca 0.04 0.62 0.07 0.00 -0.60 0.00 0.00 56.93 57.06 2gri s PHE 88 Cb -0.26 -2.44 -0.04 0.00 0.51 0.00 0.00 43.02 40.80 2gri s PHE 88 CO 0.02 0.12 0.22 0.71 0.70 0.00 0.00 175.22 176.98 2gri s TYR 89 N 0.86 2.44 0.15 0.36 2.02 0.71 -4.72 117.35 119.17 2gri s TYR 89 Ca 0.18 -0.64 -0.03 0.00 -0.37 0.00 0.00 57.07 56.22 2gri s TYR 89 Cb -0.14 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 2gri s TYR 89 CO 0.06 0.07 0.12 -0.51 -1.57 0.00 0.00 175.55 173.73 2gri s LEU 90 N -3.97 1.47 0.35 -1.29 1.02 -1.26 -2.19 118.68 112.81 2gri s LEU 90 Ca 0.38 -1.19 -0.17 0.00 0.02 0.00 0.00 54.13 53.18 2gri s LEU 90 Cb 0.02 0.50 0.06 0.00 0.02 0.00 0.00 46.19 46.79 2gri s LEU 90 CO 0.22 -0.79 0.85 -0.36 0.02 0.00 0.00 176.35 176.28 2gri s PHE 91 N -4.06 0.12 0.40 0.29 0.08 0.97 -4.68 117.98 111.11 2gri s PHE 91 Ca 0.26 -0.76 0.04 0.00 0.12 0.00 0.00 56.93 56.59 2gri s PHE 91 Cb 0.06 0.82 -0.03 0.00 -0.57 0.00 0.00 43.02 43.31 2gri s PHE 91 CO 0.04 -1.46 0.14 -0.51 -0.10 0.00 0.00 175.22 173.33 2gri s ASP 92 N -3.15 2.69 0.25 1.36 1.11 -0.29 -0.06 116.67 118.58 2gri s ASP 92 Ca 0.17 -1.67 0.21 0.00 0.18 0.00 0.00 52.55 51.44 2gri s ASP 92 Cb -0.05 0.50 0.98 0.00 1.07 0.00 0.00 42.92 45.42 2gri s ASP 92 CO 0.10 -0.93 1.64 -0.67 1.18 0.00 0.00 175.17 176.49 2gri n ASP 93 N -1.30 0.56 -1.18 0.27 2.03 -1.26 -1.16 116.55 114.50 2gri n ASP 93 Ca -0.05 0.68 0.12 0.00 0.52 0.00 0.00 54.79 56.06 2gri n ASP 93 Cb 0.65 -0.78 0.23 0.00 -0.72 0.00 0.00 41.12 40.49 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 -1.75 2.42 -2.24 -1.67 0.00 -1.26 -4.94 120.51 111.07 2gri n ALA 94 Ca 0.01 -1.02 -0.10 0.00 0.00 0.00 0.00 53.44 52.33 2gri n ALA 94 Cb 0.15 -0.89 -0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 1.53 -0.00 3.21 0.00 0.00 -0.31 -5.03 105.19 104.58 2gri n GLY 95 Ca 0.20 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.55 0.94 -1.10 1.61 -1.05 -1.26 -4.84 118.70 108.44 2gri s GLU 96 Ca 0.02 -1.21 -0.21 0.00 -0.15 0.00 0.00 54.97 53.42 2gri s GLU 96 Cb -0.01 -0.70 0.06 0.00 -0.44 0.00 0.00 34.13 33.04 2gri s GLU 96 CO 0.02 0.12 1.52 -1.21 0.95 0.00 0.00 175.26 176.66 2gri s GLU 97 N -2.78 3.72 0.35 -4.83 2.02 -1.26 -1.14 118.70 114.78 2gri s GLU 97 Ca 0.07 -1.44 0.04 0.00 0.02 0.00 0.00 54.97 53.66 2gri s GLU 97 Cb -0.04 -5.39 -0.05 0.00 0.10 0.00 0.00 34.13 28.76 2gri s GLU 97 CO 0.01 -2.19 0.08 -0.80 0.02 0.00 0.00 175.26 172.38 2gri s ASN 98 N 4.65 2.50 -0.56 -0.19 0.01 -1.26 -4.92 114.94 115.17 2gri s ASN 98 Ca 0.48 -1.47 0.04 0.00 -0.71 0.00 0.00 52.86 51.20 2gri s ASN 98 Cb 0.01 0.10 0.38 0.00 0.41 0.00 0.00 41.25 42.15 2gri s ASN 98 CO -0.04 -0.71 1.17 2.22 -1.51 0.00 0.00 177.10 178.23 2gri n PHE 99 N -0.76 3.58 -0.53 2.20 1.16 -1.26 -4.77 117.46 117.09 2gri n PHE 99 Ca -0.04 -3.34 0.00 0.00 -1.87 0.00 0.00 57.45 52.20 2gri n PHE 99 Cb 0.66 -0.39 0.00 0.00 -1.61 0.00 0.00 39.48 38.14 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 -0.37 -0.06 -0.16 5.98 7.64 -1.26 -4.93 113.62 120.45 2gri n SER 100 Ca 0.38 -0.53 -0.07 0.00 1.01 0.00 0.00 58.87 59.66 2gri n SER 100 Cb 0.50 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.69 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 -1.19 -3.43 6.43 0.02 -1.97 -3.43 113.55 109.92 2gri h SER 101 Ca 0.00 0.22 -0.48 0.00 -0.84 0.00 0.00 61.79 60.68 2gri h SER 101 Cb 0.00 0.57 -0.16 0.00 0.14 0.00 0.00 62.40 62.94 2gri h SER 101 CO 0.00 -0.32 -0.76 0.00 -1.14 0.00 0.00 176.83 174.61 2gri s ARG 102 N -5.96 1.28 -0.10 3.45 1.70 -1.26 -2.89 118.95 115.16 2gri s ARG 102 Ca -0.14 -1.47 -0.07 0.00 -0.47 0.00 0.00 55.73 53.57 2gri s ARG 102 Cb 0.14 -1.21 0.04 0.00 -0.57 0.00 0.00 34.95 33.35 2gri s ARG 102 CO 0.68 0.23 0.26 0.00 -1.08 0.00 0.00 175.30 175.39 2gri s MET 103 N -3.15 0.26 0.20 3.89 0.23 -0.58 -4.62 119.30 115.53 2gri s MET 103 Ca 0.18 0.45 -0.30 0.00 -1.03 0.00 0.00 55.69 54.99 2gri s MET 103 Cb -0.04 0.02 -0.08 0.00 -1.53 0.00 0.00 34.83 33.21 2gri s MET 103 CO 0.06 -0.10 0.95 0.71 -2.03 0.00 0.00 175.02 174.62 2gri s TYR 104 N 0.68 3.92 -0.49 3.16 2.02 0.92 -3.94 117.35 123.61 2gri s TYR 104 Ca -0.04 1.87 -0.12 0.00 -0.37 0.00 0.00 57.07 58.41 2gri s TYR 104 Cb -0.06 -3.01 0.12 0.00 -0.40 0.00 0.00 41.96 38.60 2gri s TYR 104 CO -0.04 0.34 0.39 0.00 -1.57 0.00 0.00 175.55 174.67 2gri s SER 106 N 2.93 5.47 0.00 0.00 1.04 -0.93 -4.13 113.70 118.09 2gri s SER 106 Ca 0.04 -0.00 0.28 0.00 0.48 0.00 0.00 55.95 56.75 2gri s SER 106 Cb -0.27 -1.47 0.98 0.00 0.10 0.00 0.00 66.02 65.36 2gri s SER 106 CO 0.01 0.19 1.70 2.22 0.98 0.00 0.00 173.24 178.35 2gri n PHE 107 N 0.63 0.00 -4.27 5.02 1.16 -1.26 -0.21 117.46 118.54 2gri n PHE 107 Ca -0.10 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.22 2gri n PHE 107 Cb 0.52 -0.04 -0.09 0.00 -1.61 0.00 0.00 39.48 38.26 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 -2.16 2.70 0.96 2.97 1.13 -1.26 -4.72 117.35 116.97 2gri s TYR 108 Ca 0.34 -0.20 -0.12 0.00 -1.41 0.00 0.00 57.07 55.68 2gri s TYR 108 Cb 0.20 -1.30 0.17 0.00 -1.10 0.00 0.00 41.96 39.93 2gri s TYR 108 CO 0.39 0.53 1.09 -1.25 -2.51 0.00 0.00 175.55 173.80 2gri s PRO 109 N -2.94 0.72 0.01 -3.49 0.04 -1.26 -4.65 135.00 123.43 2gri s PRO 109 Ca 0.26 0.63 -0.23 0.00 0.04 0.00 0.00 61.00 61.70 2gri s PRO 109 Cb -0.09 -1.76 -0.17 0.00 0.04 0.00 0.00 34.50 32.52 2gri s PRO 109 CO 0.17 -2.56 1.30 -1.00 0.04 0.00 0.00 177.00 174.95 2gri h PRO 110 N -1.77 0.18 0.00 0.56 0.13 -2.00 -3.47 132.00 125.63 2gri h PRO 110 Ca -0.53 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2gri h PRO 110 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2gri h PRO 110 CO 0.56 0.61 0.00 -0.25 -0.23 0.00 0.00 178.00 178.70 2gri n ASP 111 N -4.71 0.00 0.00 1.44 9.92 -1.26 -5.20 116.55 116.74 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 0.31 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.79 2gri n ASP 111 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54