#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 1.47 -2.80 0.00 -0.04 -1.26 -4.93 135.00 127.44 2gri n PRO 2 Ca 0.00 -2.04 -0.28 0.00 -0.04 0.00 0.00 63.50 61.14 2gri n PRO 2 Cb 0.00 -3.20 -0.02 0.00 -0.04 0.00 0.00 33.50 30.24 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 7.36 4.88 0.37 0.52 1.01 -1.26 -4.56 121.20 129.51 2gri s ILE 3 Ca 0.62 0.32 -0.06 0.00 0.00 0.00 0.00 60.65 61.54 2gri s ILE 3 Cb 0.09 -3.80 0.09 0.00 0.01 0.00 0.00 42.46 38.85 2gri s ILE 3 CO 0.14 -0.67 0.21 0.29 0.00 0.00 0.00 174.94 174.90 2gri n LYS 4 N -1.77 -2.37 -1.55 2.79 4.76 -1.17 -4.68 118.16 114.17 2gri n LYS 4 Ca 0.01 -0.35 -0.26 0.00 -2.87 0.00 0.00 58.31 54.84 2gri n LYS 4 Cb 0.55 -0.48 -0.05 0.00 -1.84 0.00 0.00 35.03 33.21 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 -1.33 0.02 2.85 0.72 0.00 -1.26 -3.89 105.19 102.30 2gri n GLY 5 Ca 0.03 0.50 -0.00 0.00 0.00 0.00 0.00 46.02 46.55 2gri n GLY 5 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2gri n VAL 6 N 8.35 -9.04 -3.58 1.61 0.31 -1.26 -5.06 118.33 109.67 2gri n VAL 6 Ca 0.42 1.51 -0.10 0.00 -0.01 0.00 0.00 64.34 66.16 2gri n VAL 6 Cb 0.49 -5.69 -0.02 0.00 -0.91 0.00 0.00 33.84 27.71 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 -1.33 0.00 -0.26 2.52 2.01 -1.25 -5.18 115.64 112.15 2gri s THR 7 Ca -0.02 -0.36 -0.27 0.00 0.31 0.00 0.00 61.69 61.34 2gri s THR 7 Cb 0.00 -1.37 0.16 0.00 0.01 0.00 0.00 72.50 71.31 2gri s THR 7 CO 0.55 0.00 1.24 0.72 -0.69 0.00 0.00 174.62 176.44 2gri s PHE 8 N -3.79 -0.20 -0.62 4.92 -0.71 -1.26 -4.83 117.98 111.49 2gri s PHE 8 Ca 0.05 0.41 -0.12 0.00 -1.04 0.00 0.00 56.93 56.23 2gri s PHE 8 Cb -0.03 0.46 0.02 0.00 -1.21 0.00 0.00 43.02 42.26 2gri s PHE 8 CO -0.06 -0.14 0.65 0.41 -1.34 0.00 0.00 175.22 174.74 2gri n GLY 9 N 1.17 -1.01 0.25 1.99 0.00 -1.26 -4.97 105.19 101.36 2gri n GLY 9 Ca -0.07 0.85 -0.07 0.00 0.00 0.00 0.00 46.02 46.72 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 -1.27 0.20 0.04 1.61 1.02 -1.26 -5.07 120.64 115.92 2gri n GLU 10 Ca -0.06 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2gri n GLU 10 Cb 0.57 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 2gri n GLU 10 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2gri n ASP 11 N -2.95 -0.79 -3.49 1.62 2.03 -1.26 -5.12 116.55 106.59 2gri n ASP 11 Ca -0.16 0.27 -0.09 0.00 0.52 0.00 0.00 54.79 55.33 2gri n ASP 11 Cb 0.65 0.97 -0.02 0.00 -0.72 0.00 0.00 41.12 42.00 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 -1.38 0.00 0.70 5.18 -1.32 -1.26 -5.09 115.64 112.48 2gri s THR 12 Ca 0.00 -0.04 -0.11 0.00 -1.21 0.00 0.00 61.69 60.33 2gri s THR 12 Cb 0.00 -1.05 0.01 0.00 -1.51 0.00 0.00 72.50 69.95 2gri s THR 12 CO 0.00 0.00 1.07 -0.69 -2.21 0.00 0.00 174.62 172.79 2gri s VAL 13 N -3.36 3.79 -1.40 5.08 1.01 -1.26 -2.29 120.40 121.98 2gri s VAL 13 Ca 0.04 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2gri s VAL 13 Cb -0.01 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.89 2gri s VAL 13 CO -0.10 -0.76 0.00 0.79 0.00 0.00 0.00 175.10 175.03 2gri n TRP 14 N -3.05 0.00 0.00 5.22 7.02 -1.26 -4.60 117.44 120.76 2gri n TRP 14 Ca 0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.55 2gri n TRP 14 Cb 0.56 -2.74 0.00 0.00 -2.42 0.00 0.00 31.31 26.70 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 -1.60 0.00 -0.07 -0.99 -0.58 -1.24 -4.93 120.64 111.23 2gri n GLU 15 Ca -0.13 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.56 2gri n GLU 15 Cb 0.56 -0.16 -0.14 0.00 -0.57 0.00 0.00 31.44 31.13 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 -2.13 0.94 0.09 2.62 3.14 -0.97 -4.39 118.33 117.64 2gri n VAL 16 Ca 0.00 -0.67 0.09 0.00 -2.96 0.00 0.00 64.34 60.79 2gri n VAL 16 Cb 0.00 -0.41 0.55 0.00 -1.06 0.00 0.00 33.84 32.92 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 0.24 -2.88 1.45 3.07 -1.86 -3.43 115.11 111.71 2gri h GLN 17 Ca -0.37 -0.01 -0.15 0.00 0.09 0.00 0.00 58.65 58.20 2gri h GLN 17 Cb 1.82 -0.06 0.05 0.00 0.08 0.00 0.00 27.48 29.38 2gri h GLN 17 CO 0.02 0.16 -0.26 0.41 0.09 0.00 0.00 178.83 179.25 2gri n GLY 18 N -1.53 0.37 3.69 0.06 0.00 -1.26 -3.03 105.19 103.49 2gri n GLY 18 Ca 0.03 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.12 0.19 0.16 1.61 2.02 -1.26 -2.97 117.35 113.97 2gri s TYR 19 Ca 0.22 -0.60 -0.13 0.00 -0.37 0.00 0.00 57.07 56.19 2gri s TYR 19 Cb -0.10 0.40 0.01 0.00 -0.40 0.00 0.00 41.96 41.87 2gri s TYR 19 CO 0.28 -1.12 0.37 0.15 -1.57 0.00 0.00 175.55 173.66 2gri s LYS 20 N -3.83 1.18 -0.13 -0.62 3.01 0.25 -4.63 119.74 114.96 2gri s LYS 20 Ca 0.18 -0.97 0.02 0.00 -1.01 0.00 0.00 55.97 54.19 2gri s LYS 20 Cb -0.03 0.44 -0.00 0.00 -1.01 0.00 0.00 37.83 37.22 2gri s LYS 20 CO 0.09 -0.46 -0.18 -0.80 0.51 0.00 0.00 175.35 174.51 2gri s ASN 21 N -2.90 3.54 -0.08 2.83 0.01 -1.26 -1.05 114.94 116.03 2gri s ASN 21 Ca 0.11 -0.47 -0.03 0.00 -0.71 0.00 0.00 52.86 51.76 2gri s ASN 21 Cb 0.02 -1.52 0.04 0.00 0.41 0.00 0.00 41.25 40.20 2gri s ASN 21 CO -0.04 0.13 0.16 0.54 -1.51 0.00 0.00 177.10 176.38 2gri s VAL 22 N 0.53 -0.15 0.27 1.60 0.11 -0.64 -4.78 120.40 117.34 2gri s VAL 22 Ca -0.11 0.26 0.06 0.00 -2.93 0.00 0.00 61.98 59.25 2gri s VAL 22 Cb -0.16 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.39 2gri s VAL 22 CO 0.04 0.11 0.39 -0.13 -3.33 0.00 0.00 175.10 172.18 2gri s ARG 23 N 1.71 3.29 -0.03 1.54 3.00 -1.24 -2.57 118.95 124.66 2gri s ARG 23 Ca -0.03 -0.87 0.07 0.00 0.00 0.00 0.00 55.73 54.90 2gri s ARG 23 Cb -0.12 -2.84 -0.02 0.00 0.00 0.00 0.00 34.95 31.97 2gri s ARG 23 CO -0.06 0.30 -0.24 0.42 0.00 0.00 0.00 175.30 175.72 2gri s ILE 24 N -2.06 1.92 -0.49 1.52 -1.09 -1.10 -2.79 121.20 117.12 2gri s ILE 24 Ca 0.38 -1.03 0.06 0.00 -2.23 0.00 0.00 60.65 57.82 2gri s ILE 24 Cb -0.09 -1.60 0.21 0.00 -1.58 0.00 0.00 42.46 39.40 2gri s ILE 24 CO 0.29 0.54 0.83 0.41 -1.23 0.00 0.00 174.94 175.79 2gri n THR 25 N 2.57 0.00 0.00 2.92 -1.04 -1.26 -4.91 114.28 112.56 2gri n THR 25 Ca -0.16 -1.16 0.00 0.00 -2.04 0.00 0.00 64.05 60.69 2gri n THR 25 Cb 0.52 1.19 0.00 0.00 -1.82 0.00 0.00 70.33 70.22 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 2.34 0.00 0.00 -1.42 7.35 -1.26 -4.86 117.46 119.61 2gri n PHE 26 Ca 0.13 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.82 2gri n PHE 26 Cb 0.60 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.43 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 -1.16 0.00 0.09 -4.13 1.02 -1.25 -5.01 120.64 110.20 2gri n GLU 27 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2gri n GLU 27 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2gri n GLU 27 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2gri n LEU 28 N 0.00 -1.62 0.00 -4.62 7.94 -1.26 -4.77 117.00 112.67 2gri n LEU 28 Ca 0.00 0.38 -0.18 0.00 -1.11 0.00 0.00 56.01 55.10 2gri n LEU 28 Cb 0.00 1.77 -0.07 0.00 0.53 0.00 0.00 43.42 45.65 2gri n LEU 28 CO 0.00 -0.12 -0.09 0.47 -1.11 0.00 0.00 177.39 176.54 2gri n ASP 29 N -2.85 -0.38 -0.01 1.96 8.00 -1.26 -5.07 116.55 116.94 2gri n ASP 29 Ca 0.00 -2.95 -0.02 0.00 0.71 0.00 0.00 54.79 52.53 2gri n ASP 29 Cb 0.00 1.41 -0.01 0.00 -0.02 0.00 0.00 41.12 42.50 2gri n ASP 29 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2gri n GLU 30 N -0.60 0.06 0.21 -1.24 -0.58 -1.26 -4.04 120.64 113.18 2gri n GLU 30 Ca 0.05 0.02 0.10 0.00 -0.42 0.00 0.00 57.16 56.91 2gri n GLU 30 Cb 0.54 -0.92 0.24 0.00 -0.57 0.00 0.00 31.44 30.73 2gri n GLU 30 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2gri h ARG 31 N -0.02 0.00 -0.80 3.49 3.08 -2.07 -3.33 114.38 114.73 2gri h ARG 31 Ca -0.05 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.66 2gri h ARG 31 Cb 1.07 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.72 2gri h ARG 31 CO -0.02 0.16 -1.13 1.33 -1.07 0.00 0.00 179.97 179.25 2gri n VAL 32 N -3.17 1.23 0.06 2.04 0.24 -1.26 -4.92 118.33 112.55 2gri n VAL 32 Ca 0.02 -3.15 -0.06 0.00 -2.04 0.00 0.00 64.34 59.12 2gri n VAL 32 Cb 0.54 0.74 -0.04 0.00 -1.47 0.00 0.00 33.84 33.61 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 2.79 -0.22 0.63 -1.34 3.58 -1.70 -3.29 116.42 116.88 2gri h ASP 33 Ca -0.08 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.27 2gri h ASP 33 Cb 1.22 0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.32 2gri h ASP 33 CO 0.41 0.29 0.00 0.07 -2.88 0.00 0.00 179.24 177.12 2gri h LYS 34 N -1.04 0.00 0.00 0.28 -0.00 -1.90 -2.34 116.57 111.58 2gri h LYS 34 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.62 2gri h LYS 34 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.54 2gri h LYS 34 CO 0.04 0.00 0.00 0.28 -0.00 0.00 0.00 179.45 179.77 2gri n VAL 35 N -2.74 0.96 -0.05 0.07 0.31 -1.24 0.56 118.33 116.20 2gri n VAL 35 Ca 0.00 0.54 0.00 0.00 -0.01 0.00 0.00 64.34 64.87 2gri n VAL 35 Cb 0.21 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 2gri n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gri n LEU 36 N -2.25 0.81 -0.00 7.52 -0.00 -0.89 -4.03 117.00 118.16 2gri n LEU 36 Ca -0.00 -0.88 0.03 0.00 -0.00 0.00 0.00 56.01 55.16 2gri n LEU 36 Cb 0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.50 2gri n LEU 36 CO 0.14 0.20 -0.31 -0.46 -0.00 0.00 0.00 177.39 176.96 2gri n ASN 37 N -0.13 2.14 -0.02 1.45 6.94 -0.69 -4.05 115.26 120.90 2gri n ASN 37 Ca 0.00 -0.29 -0.03 0.00 -0.02 0.00 0.00 54.58 54.25 2gri n ASN 37 Cb 0.01 1.13 -0.04 0.00 -2.36 0.00 0.00 39.78 38.53 2gri n ASN 37 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 2gri n GLU 38 N -1.42 2.92 0.09 -3.83 2.13 0.19 -4.15 120.64 116.57 2gri n GLU 38 Ca -0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 2gri n GLU 38 Cb 0.11 -1.13 0.18 0.00 0.27 0.00 0.00 31.44 30.87 2gri n GLU 38 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2gri h LYS 39 N 0.00 0.00 -0.17 5.31 1.57 -1.69 -3.43 116.57 118.16 2gri h LYS 39 Ca -0.13 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.72 2gri h LYS 39 Cb 1.30 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.44 2gri h LYS 39 CO 0.00 0.00 -0.11 0.00 -0.57 0.00 0.00 179.45 178.78 2gri n SER 41 N 3.06 1.33 -4.78 0.00 3.41 -1.26 -4.41 113.62 110.98 2gri n SER 41 Ca 0.09 -0.45 -0.38 0.00 -0.26 0.00 0.00 58.87 57.86 2gri n SER 41 Cb 0.64 1.12 -0.06 0.00 -0.26 0.00 0.00 64.21 65.65 2gri n SER 41 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2gri s VAL 42 N -1.97 4.94 0.04 -3.33 1.01 -1.26 -2.69 120.40 117.14 2gri s VAL 42 Ca 0.01 1.13 -0.04 0.00 0.00 0.00 0.00 61.98 63.07 2gri s VAL 42 Cb 0.05 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2gri s VAL 42 CO 0.30 0.46 0.07 -0.31 0.00 0.00 0.00 175.10 175.62 2gri s TYR 43 N -0.38 0.25 0.01 5.22 1.51 -1.06 -5.02 117.35 117.89 2gri s TYR 43 Ca 0.29 -0.59 0.05 0.00 -1.01 0.00 0.00 57.07 55.80 2gri s TYR 43 Cb -0.18 -0.18 -0.03 0.00 -0.11 0.00 0.00 41.96 41.46 2gri s TYR 43 CO 0.16 -0.35 -0.11 0.99 -1.11 0.00 0.00 175.55 175.13 2gri s THR 44 N -2.72 3.34 -0.14 -0.71 2.01 -1.26 -1.62 115.64 114.54 2gri s THR 44 Ca -0.04 -0.91 -0.01 0.00 0.31 0.00 0.00 61.69 61.03 2gri s THR 44 Cb -0.01 -2.44 0.04 0.00 0.01 0.00 0.00 72.50 70.11 2gri s THR 44 CO -0.05 0.38 -0.01 0.54 -0.69 0.00 0.00 174.62 174.78 2gri s VAL 45 N -0.97 0.71 0.57 3.82 0.11 -0.22 -4.94 120.40 119.50 2gri s VAL 45 Ca 0.16 -0.34 -0.19 0.00 -2.93 0.00 0.00 61.98 58.67 2gri s VAL 45 Cb -0.11 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.74 2gri s VAL 45 CO 0.07 0.10 1.20 -0.70 -3.33 0.00 0.00 175.10 172.44 2gri s GLU 46 N 1.81 3.11 0.59 1.54 2.12 -1.26 -0.58 118.70 126.03 2gri s GLU 46 Ca 0.02 1.82 0.29 0.00 0.36 0.00 0.00 54.97 57.46 2gri s GLU 46 Cb -0.15 -2.00 1.63 0.00 0.26 0.00 0.00 34.13 33.87 2gri s GLU 46 CO -0.07 -1.09 2.05 1.03 -0.54 0.00 0.00 175.26 176.64 2gri h SER 47 N 1.07 0.00 -2.85 -1.70 0.87 -1.84 -3.10 113.55 106.00 2gri h SER 47 Ca -0.50 0.00 -0.71 0.00 -1.23 0.00 0.00 61.79 59.35 2gri h SER 47 Cb 1.29 0.00 -0.35 0.00 -0.44 0.00 0.00 62.40 62.90 2gri h SER 47 CO 0.56 0.00 0.06 0.61 -0.53 0.00 0.00 176.83 177.53 2gri n GLY 48 N -1.41 4.68 3.17 5.77 0.00 -1.26 -5.02 105.19 111.11 2gri n GLY 48 Ca 0.03 -2.67 -0.10 0.00 0.00 0.00 0.00 46.02 43.28 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 -2.18 0.10 0.15 2.61 2.01 -1.18 -5.17 115.64 111.99 2gri s THR 49 Ca 0.33 -1.86 0.08 0.00 0.31 0.00 0.00 61.69 60.54 2gri s THR 49 Cb 0.03 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 2gri s THR 49 CO -0.02 -0.44 -0.06 -1.61 -0.69 0.00 0.00 174.62 171.81 2gri s GLU 50 N -4.04 2.23 0.53 4.92 0.41 -1.26 -5.00 118.70 116.49 2gri s GLU 50 Ca 0.24 -1.12 0.36 0.00 -0.41 0.00 0.00 54.97 54.03 2gri s GLU 50 Cb 0.07 -2.29 1.88 0.00 -1.78 0.00 0.00 34.13 32.01 2gri s GLU 50 CO 0.02 0.47 2.09 0.28 -0.49 0.00 0.00 175.26 177.63 2gri h VAL 51 N 2.78 0.00 0.00 2.63 2.07 -1.95 -0.58 116.25 121.20 2gri h VAL 51 Ca -0.47 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 2gri h VAL 51 Cb 1.19 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 2gri h VAL 51 CO 0.55 0.00 -1.26 1.07 0.02 0.00 0.00 177.57 177.96 2gri n THR 52 N -2.80 0.87 0.10 2.57 5.66 -1.26 -4.00 114.28 115.42 2gri n THR 52 Ca -0.02 -0.62 0.02 0.00 -3.05 0.00 0.00 64.05 60.38 2gri n THR 52 Cb 0.10 -0.51 0.36 0.00 -1.55 0.00 0.00 70.33 68.73 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 0.28 0.00 1.09 4.57 -1.50 -1.87 114.58 117.16 2gri h GLU 53 Ca -0.08 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2gri h GLU 53 Cb 1.29 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2gri h GLU 53 CO 0.02 0.42 0.00 0.74 -1.18 0.00 0.00 179.01 179.01 2gri h PHE 54 N 0.27 0.00 0.00 0.92 0.04 -1.69 -3.03 116.94 113.45 2gri h PHE 54 Ca 0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2gri h PHE 54 Cb 0.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.55 2gri h PHE 54 CO 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.72 2gri h ALA 55 N 2.02 1.00 -0.29 2.45 0.00 -1.48 -2.63 119.26 120.34 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 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2gri h ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2gri n VAL 57 N -0.13 0.00 0.11 0.00 0.31 -1.07 -4.67 118.33 112.88 2gri n VAL 57 Ca 0.17 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.62 2gri n VAL 57 Cb 0.70 -0.87 -0.00 0.00 -0.91 0.00 0.00 33.84 32.76 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 -2.11 0.59 0.19 2.52 0.31 -1.01 -3.24 118.33 115.58 2gri n VAL 58 Ca 0.00 -0.54 0.07 0.00 -0.01 0.00 0.00 64.34 63.86 2gri n VAL 58 Cb 0.50 -0.32 0.33 0.00 -0.91 0.00 0.00 33.84 33.44 2gri n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gri h ALA 59 N 2.01 0.96 0.09 3.52 0.00 -1.81 -2.50 119.26 121.54 2gri h ALA 59 Ca 0.00 -0.31 -0.35 0.00 0.00 0.00 0.00 54.91 54.25 2gri h ALA 59 Cb 0.99 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2gri h ALA 59 CO 0.00 0.43 -1.93 -0.85 0.00 0.00 0.00 179.25 176.89 2gri n GLU 60 N -3.44 0.72 -0.20 0.00 0.28 -1.25 -3.87 120.64 112.87 2gri n GLU 60 Ca 0.00 0.30 -0.06 0.00 -0.16 0.00 0.00 57.16 57.24 2gri n GLU 60 Cb 0.51 -1.70 0.03 0.00 1.43 0.00 0.00 31.44 31.72 2gri n GLU 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2gri h ALA 61 N -0.04 0.74 -0.92 -1.84 0.00 -1.59 -2.40 119.26 113.20 2gri h ALA 61 Ca -0.43 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.46 2gri h ALA 61 Cb 1.90 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.40 2gri h ALA 61 CO 0.02 0.21 0.60 -0.39 0.00 0.00 0.00 179.25 179.69 2gri h VAL 62 N 0.79 1.15 0.38 0.00 -1.51 -1.63 -1.19 116.25 114.23 2gri h VAL 62 Ca 0.21 -0.39 -0.02 0.00 -1.23 0.00 0.00 66.70 65.27 2gri h VAL 62 Cb -0.04 -0.09 0.00 0.00 -2.13 0.00 0.00 31.29 29.03 2gri h VAL 62 CO -0.04 0.21 -0.18 0.58 -1.23 0.00 0.00 177.57 176.91 2gri h VAL 63 N 1.14 0.00 -0.92 7.19 2.07 -1.55 0.27 116.25 124.45 2gri h VAL 63 Ca 0.37 -0.04 0.27 0.00 0.82 0.00 0.00 66.70 68.11 2gri h VAL 63 Cb 0.03 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.77 2gri h VAL 63 CO -0.11 0.00 0.66 0.07 0.02 0.00 0.00 177.57 178.21 2gri h LYS 64 N -0.55 0.01 0.07 1.57 2.10 -1.42 0.26 116.57 118.62 2gri h LYS 64 Ca -0.05 -0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.34 2gri h LYS 64 Cb 0.39 -0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.72 2gri h LYS 64 CO 0.08 0.01 -1.11 1.15 -2.00 0.00 0.00 179.45 177.59 2gri h THR 65 N 0.01 1.42 -2.30 0.07 2.02 -1.01 -3.34 112.91 109.77 2gri h THR 65 Ca 0.44 -2.67 -0.73 0.00 0.77 0.00 0.00 66.41 64.22 2gri h THR 65 Cb 1.75 2.66 -0.32 0.00 -1.74 0.00 0.00 68.15 70.49 2gri h THR 65 CO -0.01 0.79 0.44 0.18 0.37 0.00 0.00 175.52 177.29 2gri n LEU 66 N -3.68 6.28 -1.72 2.58 4.77 0.94 -4.67 117.00 121.51 2gri n LEU 66 Ca -0.09 -5.48 -0.07 0.00 -0.03 0.00 0.00 56.01 50.35 2gri n LEU 66 Cb 0.93 -0.96 0.08 0.00 -2.33 0.00 0.00 43.42 41.13 2gri n LEU 66 CO 0.53 2.13 0.17 0.00 -1.33 0.00 0.00 177.39 178.90 2gri n GLN 67 N -0.01 2.12 0.01 3.23 1.13 -1.08 -4.85 117.38 117.93 2gri n GLN 67 Ca 0.40 -3.46 -0.13 0.00 -1.94 0.00 0.00 57.00 51.87 2gri n GLN 67 Cb 0.31 -1.61 -0.09 0.00 0.11 0.00 0.00 30.24 28.96 2gri n GLN 67 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2gri h PRO 68 N 1.76 -0.06 -0.79 -1.09 0.13 -1.90 -3.42 132.00 126.61 2gri h PRO 68 Ca 0.07 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.94 2gri h PRO 68 Cb 1.39 0.01 -0.20 0.00 0.13 0.00 0.00 31.00 32.34 2gri h PRO 68 CO 0.33 0.40 -0.60 1.33 -0.23 0.00 0.00 178.00 179.22 2gri n VAL 69 N -4.89 -0.19 0.30 1.56 0.24 -1.26 -4.97 118.33 109.11 2gri n VAL 69 Ca -0.08 -1.77 0.20 0.00 -2.04 0.00 0.00 64.34 60.64 2gri n VAL 69 Cb 0.25 0.65 1.05 0.00 -1.47 0.00 0.00 33.84 34.32 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 4.51 0.00 0.00 -1.34 4.64 -1.89 -1.65 113.55 117.81 2gri h SER 70 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2gri h SER 70 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2gri h SER 70 CO 0.23 0.00 0.12 -2.24 -0.87 0.00 0.00 176.83 174.08 2gri h ASP 71 N 0.00 0.00 0.00 4.97 3.04 -1.98 -0.52 116.42 121.93 2gri h ASP 71 Ca 0.00 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 53.65 2gri h ASP 71 Cb 0.03 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.30 2gri h ASP 71 CO 0.00 0.00 -1.10 0.18 -2.04 0.00 0.00 179.24 176.28 2gri n LEU 72 N -3.00 1.86 -0.34 0.15 4.77 -0.62 -3.56 117.00 116.26 2gri n LEU 72 Ca -0.03 0.49 0.10 0.00 -0.03 0.00 0.00 56.01 56.53 2gri n LEU 72 Cb 0.18 -0.88 0.27 0.00 -2.33 0.00 0.00 43.42 40.66 2gri n LEU 72 CO 0.17 -0.05 1.19 -0.07 -1.33 0.00 0.00 177.39 177.31 2gri h LEU 73 N -1.00 0.78 -1.14 2.23 -0.00 -1.60 0.27 115.31 114.86 2gri h LEU 73 Ca -0.22 0.08 -0.06 0.00 -0.00 0.00 0.00 57.88 57.69 2gri h LEU 73 Cb 1.00 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.58 2gri h LEU 73 CO -0.13 0.34 -0.27 0.74 -0.00 0.00 0.00 178.44 179.12 2gri h THR 74 N 0.82 0.69 0.00 0.22 2.02 -0.51 0.22 112.91 116.37 2gri h THR 74 Ca 0.52 -1.20 -0.16 0.00 0.77 0.00 0.00 66.41 66.35 2gri h THR 74 Cb 0.70 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 2gri h THR 74 CO -0.34 0.26 -0.76 0.78 0.37 0.00 0.00 175.52 175.84 2gri h ASN 75 N 0.00 0.00 0.52 4.18 2.35 -0.54 -3.24 115.58 118.84 2gri h ASN 75 Ca -0.00 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.46 2gri h ASN 75 Cb 0.75 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.07 2gri h ASN 75 CO 0.04 0.76 -1.66 0.24 -1.65 0.00 0.00 177.43 175.15 2gri h MET 76 N 0.00 0.01 0.00 0.81 2.86 -1.08 -3.49 114.93 114.04 2gri h MET 76 Ca -0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2gri h MET 76 Cb 1.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.02 2gri h MET 76 CO 0.10 0.54 0.00 0.41 1.06 0.00 0.00 176.91 179.02 2gri n GLY 77 N 1.55 3.21 3.59 8.32 0.00 -0.26 -5.10 105.19 116.50 2gri n GLY 77 Ca -0.16 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 3.17 -0.02 -0.61 1.01 0.61 -4.81 121.20 120.55 2gri s ILE 78 Ca 0.00 0.16 -0.24 0.00 0.00 0.00 0.00 60.65 60.57 2gri s ILE 78 Cb 0.00 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 2gri s ILE 78 CO 0.00 -0.16 0.74 -0.62 0.00 0.00 0.00 174.94 174.90 2gri s ASP 79 N 7.93 7.10 -0.06 3.58 -1.08 -1.26 -2.06 116.67 130.82 2gri s ASP 79 Ca 0.93 1.32 0.12 0.00 -0.52 0.00 0.00 52.55 54.40 2gri s ASP 79 Cb -0.28 -2.44 -0.23 0.00 -1.46 0.00 0.00 42.92 38.51 2gri s ASP 79 CO 0.33 -0.07 0.61 -0.11 0.52 0.00 0.00 175.17 176.45 2gri n LEU 80 N 3.41 0.89 0.17 -1.34 -0.00 -1.26 -3.84 117.00 115.04 2gri n LEU 80 Ca -0.01 0.38 0.14 0.00 -0.00 0.00 0.00 56.01 56.51 2gri n LEU 80 Cb 0.51 0.14 0.48 0.00 -0.00 0.00 0.00 43.42 44.55 2gri n LEU 80 CO 0.47 0.41 0.89 0.44 -0.00 0.00 0.00 177.39 179.61 2gri h ASP 81 N 0.00 0.00 0.72 1.96 3.32 -1.99 -2.98 116.42 117.45 2gri h ASP 81 Ca -0.31 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.48 2gri h ASP 81 Cb 2.03 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.54 2gri h ASP 81 CO 0.08 0.00 -1.37 1.05 -1.72 0.00 0.00 179.24 177.28 2gri h GLU 82 N 0.00 0.03 -0.46 3.56 4.11 -1.94 -3.35 114.58 116.54 2gri h GLU 82 Ca 0.00 -0.05 0.09 0.00 0.07 0.00 0.00 59.36 59.47 2gri h GLU 82 Cb 0.56 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.74 2gri h GLU 82 CO 0.00 0.79 -0.16 -1.49 0.07 0.00 0.00 179.01 178.22 2gri h TRP 83 N 0.01 -0.39 -0.67 2.06 4.06 -1.62 0.28 115.95 119.67 2gri h TRP 83 Ca -0.16 0.05 0.02 0.00 2.06 0.00 0.00 58.89 60.85 2gri h TRP 83 Cb 1.90 0.24 -0.04 0.00 -1.00 0.00 0.00 29.16 30.27 2gri h TRP 83 CO 0.01 -0.25 0.43 1.03 -3.56 0.00 0.00 178.44 176.10 2gri h SER 84 N -0.06 0.73 -0.86 -3.49 0.87 -1.71 -2.14 113.55 106.90 2gri h SER 84 Ca 0.22 -0.01 -0.52 0.00 -1.23 0.00 0.00 61.79 60.25 2gri h SER 84 Cb 0.40 -0.17 -0.26 0.00 -0.44 0.00 0.00 62.40 61.93 2gri h SER 84 CO -0.50 0.52 0.66 0.55 -0.53 0.00 0.00 176.83 177.53 2gri n VAL 85 N -4.65 3.16 -4.42 2.23 3.14 -0.36 -4.87 118.33 112.55 2gri n VAL 85 Ca 0.06 -2.12 -0.25 0.00 -2.96 0.00 0.00 64.34 59.07 2gri n VAL 85 Cb 0.04 -0.89 -0.09 0.00 -1.06 0.00 0.00 33.84 31.84 2gri n VAL 85 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gri s ALA 86 N -3.06 3.01 0.05 1.55 0.00 0.83 -4.96 121.76 119.19 2gri s ALA 86 Ca 0.52 -1.94 -0.20 0.00 0.00 0.00 0.00 51.96 50.35 2gri s ALA 86 Cb 0.42 -0.31 -0.06 0.00 0.00 0.00 0.00 23.12 23.17 2gri s ALA 86 CO 0.04 0.15 0.57 -0.08 0.00 0.00 0.00 175.76 176.45 2gri s THR 87 N -2.52 4.78 -0.10 0.00 -1.32 -1.26 -5.00 115.64 110.22 2gri s THR 87 Ca 0.32 1.22 0.00 0.00 -1.21 0.00 0.00 61.69 62.02 2gri s THR 87 Cb -0.01 -3.90 0.02 0.00 -1.51 0.00 0.00 72.50 67.09 2gri s THR 87 CO 0.18 0.52 -0.08 -0.36 -2.21 0.00 0.00 174.62 172.67 2gri s PHE 88 N -0.88 1.46 0.44 9.09 0.40 -1.26 -4.85 117.98 122.37 2gri s PHE 88 Ca 0.29 -0.69 0.08 0.00 -0.60 0.00 0.00 56.93 56.01 2gri s PHE 88 Cb -0.19 -1.19 0.00 0.00 0.51 0.00 0.00 43.02 42.15 2gri s PHE 88 CO 0.18 -0.47 0.50 0.71 0.70 0.00 0.00 175.22 176.84 2gri s TYR 89 N 1.53 2.59 0.04 0.36 2.02 -0.68 -4.58 117.35 118.62 2gri s TYR 89 Ca 0.02 -0.49 -0.03 0.00 -0.37 0.00 0.00 57.07 56.20 2gri s TYR 89 Cb -0.13 -2.25 -0.02 0.00 -0.40 0.00 0.00 41.96 39.16 2gri s TYR 89 CO -0.06 -0.36 0.03 -0.51 -1.57 0.00 0.00 175.55 173.08 2gri s LEU 90 N -4.28 2.11 0.00 -1.29 1.02 -1.26 -2.51 118.68 112.48 2gri s LEU 90 Ca 0.52 -0.67 -0.08 0.00 0.02 0.00 0.00 54.13 53.92 2gri s LEU 90 Cb -0.06 0.36 0.03 0.00 0.02 0.00 0.00 46.19 46.54 2gri s LEU 90 CO 0.31 -0.49 0.54 0.49 0.02 0.00 0.00 176.35 177.22 2gri n PHE 91 N 0.76 -1.76 -3.93 0.29 3.72 -0.61 -4.32 117.46 111.62 2gri n PHE 91 Ca -0.19 -1.72 0.00 0.00 -0.05 0.00 0.00 57.45 55.50 2gri n PHE 91 Cb 0.58 0.63 0.00 0.00 -0.94 0.00 0.00 39.48 39.76 2gri n PHE 91 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2gri n ASP 92 N -1.55 0.24 -0.42 4.37 5.75 -1.04 0.18 116.55 124.06 2gri n ASP 92 Ca -0.04 -0.93 0.12 0.00 -0.01 0.00 0.00 54.79 53.94 2gri n ASP 92 Cb 0.49 0.00 0.49 0.00 -1.03 0.00 0.00 41.12 41.07 2gri n ASP 92 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2gri n ASP 93 N -2.56 1.29 -0.20 -1.12 5.68 -1.26 -3.47 116.55 114.91 2gri n ASP 93 Ca 0.00 -1.55 0.09 0.00 -0.50 0.00 0.00 54.79 52.84 2gri n ASP 93 Cb 0.00 -0.05 -0.06 0.00 -1.14 0.00 0.00 41.12 39.87 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 0.04 3.99 -1.67 2.12 0.00 -1.26 -4.98 120.51 118.75 2gri n ALA 94 Ca 0.18 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2gri n ALA 94 Cb 0.29 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 1.39 0.81 3.00 0.00 0.00 -1.23 -5.08 105.19 104.09 2gri n GLY 95 Ca 0.06 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.49 0.19 -0.95 1.61 -1.05 -1.26 -4.97 118.70 108.78 2gri s GLU 96 Ca 0.00 0.02 -0.22 0.00 -0.15 0.00 0.00 54.97 54.63 2gri s GLU 96 Cb 0.00 0.09 0.08 0.00 -0.44 0.00 0.00 34.13 33.85 2gri s GLU 96 CO 0.00 -0.03 1.30 -2.00 0.95 0.00 0.00 175.26 175.47 2gri s GLU 97 N -0.25 3.54 0.00 -4.83 2.12 -1.26 -2.51 118.70 115.52 2gri s GLU 97 Ca -0.03 -1.28 0.00 0.00 0.36 0.00 0.00 54.97 54.02 2gri s GLU 97 Cb -0.02 -5.07 0.00 0.00 0.26 0.00 0.00 34.13 29.30 2gri s GLU 97 CO 0.00 -2.03 0.00 0.27 -0.54 0.00 0.00 175.26 172.97 2gri n ASN 98 N 8.01 0.34 -3.29 -1.70 0.23 -1.26 -4.96 115.26 112.63 2gri n ASN 98 Ca 0.26 -0.93 -0.33 0.00 -0.53 0.00 0.00 54.58 53.05 2gri n ASN 98 Cb 0.50 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.18 2gri n ASN 98 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 2gri n PHE 99 N 0.00 3.45 -1.75 -2.53 1.16 -1.26 -4.73 117.46 111.80 2gri n PHE 99 Ca 0.00 -3.36 -0.26 0.00 -1.87 0.00 0.00 57.45 51.96 2gri n PHE 99 Cb 0.00 -0.81 0.18 0.00 -1.61 0.00 0.00 39.48 37.24 2gri n PHE 99 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 2gri n SER 100 N -0.07 -0.04 -0.20 5.98 3.41 -1.26 -4.95 113.62 116.49 2gri n SER 100 Ca 0.37 -1.40 -0.01 0.00 -0.26 0.00 0.00 58.87 57.58 2gri n SER 100 Cb 0.33 -0.88 0.06 0.00 -0.26 0.00 0.00 64.21 63.46 2gri n SER 100 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2gri h SER 101 N -1.58 -0.56 -3.17 4.04 0.02 -1.97 -3.38 113.55 106.95 2gri h SER 101 Ca -0.37 0.18 -0.60 0.00 -0.84 0.00 0.00 61.79 60.16 2gri h SER 101 Cb 1.03 0.37 -0.35 0.00 0.14 0.00 0.00 62.40 63.59 2gri h SER 101 CO 0.26 -0.20 -0.83 -0.60 -1.14 0.00 0.00 176.83 174.32 2gri s ARG 102 N -6.23 2.29 -0.12 3.45 6.06 -1.26 -3.61 118.95 119.53 2gri s ARG 102 Ca -0.14 -0.57 0.01 0.00 -2.50 0.00 0.00 55.73 52.53 2gri s ARG 102 Cb 0.19 -2.05 -0.01 0.00 0.06 0.00 0.00 34.95 33.14 2gri s ARG 102 CO 0.73 -0.18 -0.16 0.00 -2.50 0.00 0.00 175.30 173.19 2gri s MET 103 N 1.31 3.26 0.14 5.12 0.23 -1.12 -4.53 119.30 123.72 2gri s MET 103 Ca 0.01 -0.74 -0.24 0.00 -1.03 0.00 0.00 55.69 53.68 2gri s MET 103 Cb -0.14 -2.53 -0.08 0.00 -1.53 0.00 0.00 34.83 30.56 2gri s MET 103 CO -0.08 0.22 0.74 0.71 -2.03 0.00 0.00 175.02 174.58 2gri s TYR 104 N 0.32 3.88 -0.55 3.16 2.02 0.13 -4.17 117.35 122.13 2gri s TYR 104 Ca -0.13 1.56 -0.18 0.00 -0.37 0.00 0.00 57.07 57.96 2gri s TYR 104 Cb -0.16 -2.72 0.11 0.00 -0.40 0.00 0.00 41.96 38.78 2gri s TYR 104 CO 0.07 0.51 0.59 0.00 -1.57 0.00 0.00 175.55 175.15 2gri s SER 106 N 3.44 5.80 0.00 0.00 1.04 -1.04 -3.93 113.70 119.00 2gri s SER 106 Ca 0.08 0.07 0.26 0.00 0.48 0.00 0.00 55.95 56.84 2gri s SER 106 Cb -0.26 -1.64 0.55 0.00 0.10 0.00 0.00 66.02 64.77 2gri s SER 106 CO 0.06 0.16 1.46 2.22 0.98 0.00 0.00 173.24 178.11 2gri n PHE 107 N 0.32 0.00 -4.22 5.02 1.16 -1.26 -1.69 117.46 116.80 2gri n PHE 107 Ca -0.07 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.24 2gri n PHE 107 Cb 0.52 -0.01 -0.08 0.00 -1.61 0.00 0.00 39.48 38.30 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 -2.07 2.82 0.96 2.97 1.13 -1.26 -4.84 117.35 117.06 2gri s TYR 108 Ca 0.31 -0.15 -0.12 0.00 -1.41 0.00 0.00 57.07 55.70 2gri s TYR 108 Cb 0.20 -1.36 0.17 0.00 -1.10 0.00 0.00 41.96 39.87 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 0.73 0.00 -3.49 0.04 -1.26 -4.60 135.00 123.43 2gri s PRO 109 Ca 0.28 0.63 -0.24 0.00 0.04 0.00 0.00 61.00 61.71 2gri s PRO 109 Cb -0.09 -1.76 -0.18 0.00 0.04 0.00 0.00 34.50 32.51 2gri s PRO 109 CO 0.18 -2.56 1.30 -1.00 0.04 0.00 0.00 177.00 174.96 2gri h PRO 110 N -1.77 0.14 0.00 0.56 0.13 -2.00 -3.47 132.00 125.59 2gri h PRO 110 Ca -0.53 -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 0.00 178.00 178.68 2gri n ASP 111 N -4.73 0.00 0.00 1.44 8.00 -1.26 -5.17 116.55 114.83 2gri n ASP 111 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 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 -1.84 -0.39 0.00 0.00 177.20 174.97