#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 1.55 -3.60 0.00 -0.04 -1.26 -4.91 135.00 126.75 2gri n PRO 2 Ca 0.00 -2.31 -0.36 0.00 -0.04 0.00 0.00 63.50 60.79 2gri n PRO 2 Cb 0.00 -3.53 -0.06 0.00 -0.04 0.00 0.00 33.50 29.87 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 9.65 5.13 0.00 0.52 1.01 -1.26 -4.98 121.20 131.27 2gri s ILE 3 Ca 0.66 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.85 2gri s ILE 3 Cb 0.03 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.86 2gri s ILE 3 CO 0.14 0.44 0.00 1.17 0.00 0.00 0.00 174.94 176.69 2gri n LYS 4 N 1.38 0.00 -0.01 2.79 4.81 -1.22 -4.09 118.16 121.82 2gri n LYS 4 Ca -0.12 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.35 2gri n LYS 4 Cb 0.53 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.51 2gri n LYS 4 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2gri n GLY 5 N 0.00 -0.37 0.64 3.14 0.00 -1.26 -4.74 105.19 102.60 2gri n GLY 5 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.84 0.00 -3.73 1.61 0.31 -1.26 -5.09 118.33 108.33 2gri n VAL 6 Ca -0.03 -0.11 -0.12 0.00 -0.01 0.00 0.00 64.34 64.06 2gri n VAL 6 Cb 0.28 0.42 -0.10 0.00 -0.91 0.00 0.00 33.84 33.53 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 0.00 -0.01 -0.25 2.52 2.01 -1.26 -5.16 115.64 113.50 2gri s THR 7 Ca 0.04 0.03 -0.13 0.00 0.31 0.00 0.00 61.69 61.93 2gri s THR 7 Cb 0.04 -0.57 0.08 0.00 0.01 0.00 0.00 72.50 72.07 2gri s THR 7 CO -0.02 0.01 0.60 0.72 -0.69 0.00 0.00 174.62 175.24 2gri s PHE 8 N 0.52 -0.98 0.00 4.92 -0.71 -1.26 -3.45 117.98 117.01 2gri s PHE 8 Ca -0.02 1.93 0.00 0.00 -1.04 0.00 0.00 56.93 57.80 2gri s PHE 8 Cb -0.04 0.56 0.00 0.00 -1.21 0.00 0.00 43.02 42.32 2gri s PHE 8 CO -0.03 -0.50 0.00 0.41 -1.34 0.00 0.00 175.22 173.76 2gri n GLY 9 N 4.53 0.67 0.21 1.99 0.00 -1.26 -5.03 105.19 106.30 2gri n GLY 9 Ca -0.19 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.94 0.38 0.05 1.61 -0.58 -1.26 -5.01 120.64 114.89 2gri n GLU 10 Ca 0.00 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2gri n GLU 10 Cb 0.38 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 30.01 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 -0.06 -3.69 1.62 2.03 -1.26 -5.18 116.55 106.79 2gri n ASP 11 Ca -0.29 0.17 0.02 0.00 0.52 0.00 0.00 54.79 55.20 2gri n ASP 11 Cb 0.77 0.14 0.00 0.00 -0.72 0.00 0.00 41.12 41.32 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 -1.33 0.00 0.50 5.18 -1.32 -1.26 -5.12 115.64 112.29 2gri s THR 12 Ca 0.00 -0.21 -0.02 0.00 -1.21 0.00 0.00 61.69 60.24 2gri s THR 12 Cb 0.00 -2.43 -0.00 0.00 -1.51 0.00 0.00 72.50 68.56 2gri s THR 12 CO 0.00 0.00 0.76 -0.69 -2.21 0.00 0.00 174.62 172.48 2gri s VAL 13 N -2.24 3.92 -1.49 5.08 1.01 -1.26 -3.50 120.40 121.92 2gri s VAL 13 Ca 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2gri s VAL 13 Cb 0.02 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2gri s VAL 13 CO -0.02 -0.41 0.00 0.79 0.00 0.00 0.00 175.10 175.46 2gri n TRP 14 N -2.28 0.00 0.00 5.22 7.02 -1.26 -4.64 117.44 121.50 2gri n TRP 14 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 2gri n TRP 14 Cb 0.57 -2.85 0.00 0.00 -2.42 0.00 0.00 31.31 26.61 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 -1.64 0.09 0.00 -0.99 -0.58 -1.26 -4.95 120.64 111.31 2gri n GLU 15 Ca -0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 2gri n GLU 15 Cb 0.58 -0.55 0.00 0.00 -0.57 0.00 0.00 31.44 30.90 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 -1.40 0.00 -0.28 2.62 0.31 -1.23 -4.77 118.33 113.58 2gri n VAL 16 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 2gri n VAL 16 Cb 0.05 -0.55 0.24 0.00 -0.91 0.00 0.00 33.84 32.67 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 0.40 -0.58 5.55 4.15 -1.91 -3.46 115.11 119.26 2gri h GLN 17 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2gri h GLN 17 Cb 0.74 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.33 2gri h GLN 17 CO 0.00 0.27 0.00 0.41 -1.93 0.00 0.00 178.83 177.58 2gri n GLY 18 N -1.34 0.83 3.32 2.39 0.00 -1.26 -4.15 105.19 104.98 2gri n GLY 18 Ca 0.18 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.58 0.18 0.30 1.61 2.02 -1.26 -3.48 117.35 114.13 2gri s TYR 19 Ca 0.00 -0.55 0.07 0.00 -0.37 0.00 0.00 57.07 56.22 2gri s TYR 19 Cb 0.00 0.04 -0.03 0.00 -0.40 0.00 0.00 41.96 41.58 2gri s TYR 19 CO 0.00 -0.69 0.24 1.63 -1.57 0.00 0.00 175.55 175.16 2gri n LYS 20 N -0.19 0.38 -4.25 -0.62 4.01 -0.01 -4.39 118.16 113.09 2gri n LYS 20 Ca -0.11 -2.96 -0.24 0.00 -0.51 0.00 0.00 58.31 54.49 2gri n LYS 20 Cb 0.63 2.39 -0.17 0.00 -0.51 0.00 0.00 35.03 37.37 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 -3.07 1.62 -0.04 4.39 0.01 -1.26 -1.97 114.94 114.61 2gri s ASN 21 Ca 0.35 -0.24 0.03 0.00 -0.71 0.00 0.00 52.86 52.29 2gri s ASN 21 Cb 0.02 -0.69 0.01 0.00 0.41 0.00 0.00 41.25 40.99 2gri s ASN 21 CO 0.24 -0.04 -0.11 0.54 -1.51 0.00 0.00 177.10 176.22 2gri s VAL 22 N 1.07 0.97 0.23 1.60 0.11 -0.72 -4.80 120.40 118.87 2gri s VAL 22 Ca -0.08 -0.44 0.08 0.00 -2.93 0.00 0.00 61.98 58.62 2gri s VAL 22 Cb -0.14 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 2gri s VAL 22 CO -0.01 0.30 0.03 -0.13 -3.33 0.00 0.00 175.10 171.96 2gri s ARG 23 N 0.34 2.44 -0.09 1.54 3.00 -1.25 -1.86 118.95 123.07 2gri s ARG 23 Ca -0.07 -1.25 0.03 0.00 0.00 0.00 0.00 55.73 54.44 2gri s ARG 23 Cb -0.11 -2.30 0.01 0.00 0.00 0.00 0.00 34.95 32.55 2gri s ARG 23 CO 0.02 0.40 -0.17 0.42 0.00 0.00 0.00 175.30 175.97 2gri s ILE 24 N -2.08 1.51 -0.50 1.52 -1.09 -0.95 -2.61 121.20 117.00 2gri s ILE 24 Ca 0.30 -0.69 0.06 0.00 -2.23 0.00 0.00 60.65 58.10 2gri s ILE 24 Cb -0.08 -1.34 0.19 0.00 -1.58 0.00 0.00 42.46 39.65 2gri s ILE 24 CO 0.20 0.44 0.75 -0.89 -1.23 0.00 0.00 174.94 174.21 2gri s THR 25 N 0.63 -0.93 0.00 2.92 2.01 -1.13 -4.87 115.64 114.27 2gri s THR 25 Ca -0.14 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 60.99 2gri s THR 25 Cb -0.16 0.00 0.00 0.00 0.01 0.00 0.00 72.50 72.35 2gri s THR 25 CO 0.04 0.00 0.00 0.33 -0.69 0.00 0.00 174.62 174.30 2gri n PHE 26 N 3.02 0.00 0.00 4.92 7.35 -1.26 -4.82 117.46 126.67 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 -1.91 -0.76 0.00 0.00 176.76 174.09 2gri n GLU 27 N -1.55 0.00 -0.02 -4.13 2.13 -1.26 -5.00 120.64 110.81 2gri n GLU 27 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 2gri n GLU 27 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 2gri n GLU 27 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2gri n LEU 28 N 0.00 1.29 0.00 4.31 7.99 -1.26 -4.73 117.00 124.60 2gri n LEU 28 Ca 0.00 0.20 -0.29 0.00 -0.01 0.00 0.00 56.01 55.90 2gri n LEU 28 Cb 0.00 -0.46 -0.07 0.00 -0.11 0.00 0.00 43.42 42.78 2gri n LEU 28 CO 0.00 -0.37 -0.21 -0.67 -1.51 0.00 0.00 177.39 174.63 2gri n ASP 29 N -3.80 2.67 -0.01 -1.43 2.03 -1.26 -5.05 116.55 109.70 2gri n ASP 29 Ca -0.10 -3.15 -0.01 0.00 0.52 0.00 0.00 54.79 52.06 2gri n ASP 29 Cb 0.32 0.56 -0.03 0.00 -0.72 0.00 0.00 41.12 41.25 2gri n ASP 29 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2gri n GLU 30 N -1.12 2.53 -0.08 -0.67 0.28 -1.26 -4.45 120.64 115.86 2gri n GLU 30 Ca -0.16 -0.01 -0.12 0.00 -0.16 0.00 0.00 57.16 56.71 2gri n GLU 30 Cb 0.62 -1.08 -0.08 0.00 1.43 0.00 0.00 31.44 32.32 2gri n GLU 30 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2gri n ARG 31 N -1.98 0.42 -2.22 3.44 0.00 -1.26 -4.67 116.66 110.38 2gri n ARG 31 Ca -0.04 0.10 -0.31 0.00 -0.00 0.00 0.00 57.85 57.60 2gri n ARG 31 Cb 0.46 -1.33 0.02 0.00 0.00 0.00 0.00 32.46 31.61 2gri n ARG 31 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2gri n VAL 32 N -3.03 2.80 0.07 5.15 0.24 -1.26 -4.70 118.33 117.59 2gri n VAL 32 Ca -0.30 -4.60 -0.23 0.00 -2.04 0.00 0.00 64.34 57.17 2gri n VAL 32 Cb 0.82 -1.24 -0.15 0.00 -1.47 0.00 0.00 33.84 31.79 2gri n VAL 32 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 2gri h ASP 33 N 2.64 0.61 1.15 -1.34 2.03 -1.83 -3.33 116.42 116.34 2gri h ASP 33 Ca 0.40 -0.94 -0.01 0.00 -0.73 0.00 0.00 57.03 55.75 2gri h ASP 33 Cb 0.71 -0.20 -0.00 0.00 -0.83 0.00 0.00 39.33 39.01 2gri h ASP 33 CO 1.05 1.79 -0.04 0.07 -1.03 0.00 0.00 179.24 181.07 2gri h LYS 34 N 0.08 0.00 0.00 4.15 -0.00 -1.93 -2.76 116.57 116.11 2gri h LYS 34 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.30 2gri h LYS 34 Cb 2.08 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 34.31 2gri h LYS 34 CO 0.17 0.04 0.00 0.28 -0.00 0.00 0.00 179.45 179.94 2gri n VAL 35 N -3.14 0.97 0.18 0.07 0.31 -1.25 -0.68 118.33 114.79 2gri n VAL 35 Ca 0.01 0.47 0.02 0.00 -0.01 0.00 0.00 64.34 64.83 2gri n VAL 35 Cb 0.36 -1.43 0.01 0.00 -0.91 0.00 0.00 33.84 31.87 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 -2.21 1.21 -0.01 7.52 -0.00 -1.05 -3.73 117.00 118.74 2gri n LEU 36 Ca 0.00 -0.93 0.06 0.00 -0.00 0.00 0.00 56.01 55.14 2gri n LEU 36 Cb 0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.46 2gri n LEU 36 CO 0.14 0.26 -0.62 -0.46 -0.00 0.00 0.00 177.39 176.72 2gri n ASN 37 N 0.07 2.13 -0.03 1.45 6.94 -0.62 -3.53 115.26 121.67 2gri n ASN 37 Ca 0.02 -0.04 -0.03 0.00 -0.02 0.00 0.00 54.58 54.51 2gri n ASN 37 Cb 0.10 1.53 -0.05 0.00 -2.36 0.00 0.00 39.78 39.01 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 -1.89 2.90 0.10 -3.83 0.28 0.14 -4.24 120.64 114.10 2gri n GLU 38 Ca -0.02 -0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.95 2gri n GLU 38 Cb 0.31 -1.16 -0.03 0.00 1.43 0.00 0.00 31.44 32.00 2gri n GLU 38 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 2gri h LYS 39 N 0.00 0.00 0.00 3.44 1.63 -1.68 -3.44 116.57 116.52 2gri h LYS 39 Ca -0.17 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.63 2gri h LYS 39 Cb 1.37 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.00 2gri h LYS 39 CO 0.01 0.77 0.00 0.00 -3.45 0.00 0.00 179.45 176.78 2gri n SER 41 N 0.00 0.44 -4.81 0.00 2.88 -1.23 -4.56 113.62 106.35 2gri n SER 41 Ca 0.00 -0.72 -0.35 0.00 -1.33 0.00 0.00 58.87 56.47 2gri n SER 41 Cb 0.00 0.79 -0.07 0.00 -0.75 0.00 0.00 64.21 64.18 2gri n SER 41 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2gri s VAL 42 N -1.19 5.00 0.10 2.46 0.11 -1.26 -2.24 120.40 123.37 2gri s VAL 42 Ca 0.02 -0.08 -0.08 0.00 -2.93 0.00 0.00 61.98 58.91 2gri s VAL 42 Cb 0.03 -3.20 -0.01 0.00 -1.53 0.00 0.00 36.38 31.68 2gri s VAL 42 CO 0.15 0.53 0.18 -0.31 -3.33 0.00 0.00 175.10 172.32 2gri s TYR 43 N -1.05 0.26 0.14 1.54 1.51 -0.78 -5.02 117.35 113.96 2gri s TYR 43 Ca 0.17 -0.69 -0.08 0.00 -1.01 0.00 0.00 57.07 55.46 2gri s TYR 43 Cb -0.12 -0.11 -0.06 0.00 -0.11 0.00 0.00 41.96 41.56 2gri s TYR 43 CO 0.07 -0.56 0.44 0.99 -1.11 0.00 0.00 175.55 175.38 2gri s THR 44 N -3.89 5.06 -0.20 -0.71 2.01 -1.26 -1.75 115.64 114.89 2gri s THR 44 Ca 0.08 0.34 -0.04 0.00 0.31 0.00 0.00 61.69 62.38 2gri s THR 44 Cb 0.05 -3.64 0.08 0.00 0.01 0.00 0.00 72.50 69.00 2gri s THR 44 CO -0.08 0.11 0.14 0.54 -0.69 0.00 0.00 174.62 174.64 2gri s VAL 45 N -1.59 -0.17 1.31 3.82 0.11 -0.83 -4.90 120.40 118.15 2gri s VAL 45 Ca 0.39 -0.25 -0.20 0.00 -2.93 0.00 0.00 61.98 58.99 2gri s VAL 45 Cb -0.13 -0.68 0.31 0.00 -1.53 0.00 0.00 36.38 34.35 2gri s VAL 45 CO 0.21 -0.34 0.71 1.21 -3.33 0.00 0.00 175.10 173.57 2gri n GLU 46 N 5.29 -3.89 -0.00 1.54 0.00 -1.26 -0.83 120.64 121.49 2gri n GLU 46 Ca -0.06 -1.15 0.14 0.00 0.00 0.00 0.00 57.16 56.09 2gri n GLU 46 Cb 0.48 -1.80 0.64 0.00 0.00 0.00 0.00 31.44 30.77 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 -4.30 1.07 -0.00 4.31 2.88 -1.23 -3.71 113.62 112.64 2gri n SER 47 Ca 0.10 -1.36 0.01 0.00 -1.33 0.00 0.00 58.87 56.29 2gri n SER 47 Cb 0.52 -0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 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 1.12 0.32 3.57 0.46 0.00 -1.26 -5.05 105.19 104.36 2gri n GLY 48 Ca 0.20 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.33 2.37 -3.24 2.61 -1.04 -1.24 -4.99 114.28 107.41 2gri n THR 49 Ca -0.00 -0.50 -0.18 0.00 -2.04 0.00 0.00 64.05 61.33 2gri n THR 49 Cb 0.05 -1.01 -0.00 0.00 -1.82 0.00 0.00 70.33 67.55 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 -1.95 2.85 0.27 -2.82 8.01 -1.26 -4.98 118.70 118.82 2gri s GLU 50 Ca 0.64 -1.23 0.24 0.00 0.01 0.00 0.00 54.97 54.63 2gri s GLU 50 Cb -0.56 -2.71 1.00 0.00 -4.31 0.00 0.00 34.13 27.55 2gri s GLU 50 CO 0.56 -0.16 1.71 0.28 0.01 0.00 0.00 175.26 177.67 2gri n VAL 51 N -1.73 0.84 0.01 2.63 0.31 -1.26 -2.25 118.33 116.88 2gri n VAL 51 Ca 0.05 0.27 -0.02 0.00 -0.01 0.00 0.00 64.34 64.63 2gri n VAL 51 Cb 0.59 -1.21 -0.10 0.00 -0.91 0.00 0.00 33.84 32.20 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 -2.25 1.23 -0.02 2.52 5.66 -1.26 -4.08 114.28 116.08 2gri n THR 52 Ca 0.02 -0.72 0.00 0.00 -3.05 0.00 0.00 64.05 60.30 2gri n THR 52 Cb 0.21 -0.74 0.30 0.00 -1.55 0.00 0.00 70.33 68.56 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 0.58 0.00 1.09 4.22 -1.84 -1.68 114.58 116.95 2gri h GLU 53 Ca -0.21 -0.10 -0.03 0.00 0.08 0.00 0.00 59.36 59.09 2gri h GLU 53 Cb 1.70 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.85 2gri h GLU 53 CO 0.05 0.55 -0.14 0.74 -2.18 0.00 0.00 179.01 178.02 2gri h PHE 54 N 0.56 0.00 0.00 0.92 0.04 -1.70 -2.22 116.94 114.54 2gri h PHE 54 Ca 0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.90 2gri h PHE 54 Cb 0.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.40 2gri h PHE 54 CO 0.01 0.14 0.00 0.00 -0.60 0.00 0.00 178.31 177.86 2gri n ALA 55 N -2.19 2.46 0.04 2.45 0.00 -0.63 -2.17 120.51 120.47 2gri n ALA 55 Ca -0.00 -0.15 0.01 0.00 0.00 0.00 0.00 53.44 53.29 2gri n ALA 55 Cb 0.36 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 -0.15 0.12 -0.10 0.00 3.14 -1.12 -4.50 118.33 115.72 2gri n VAL 57 Ca 0.01 -0.25 -0.24 0.00 -2.96 0.00 0.00 64.34 60.90 2gri n VAL 57 Cb 0.02 0.08 -0.12 0.00 -1.06 0.00 0.00 33.84 32.77 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 -1.93 1.58 0.21 1.55 0.31 -0.92 -2.69 118.33 116.43 2gri n VAL 58 Ca -0.04 -0.37 0.18 0.00 -0.01 0.00 0.00 64.34 64.09 2gri n VAL 58 Cb 0.36 -1.81 0.84 0.00 -0.91 0.00 0.00 33.84 32.32 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 -0.44 1.76 0.00 3.52 0.00 -1.78 -0.67 119.26 121.65 2gri h ALA 59 Ca -0.52 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.12 2gri h ALA 59 Cb 1.67 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.43 2gri h ALA 59 CO -0.19 -0.34 -1.67 0.39 0.00 0.00 0.00 179.25 177.43 2gri n GLU 60 N -3.66 0.56 -0.27 0.00 -0.58 -1.26 -4.13 120.64 111.30 2gri n GLU 60 Ca 0.02 0.37 0.26 0.00 -0.42 0.00 0.00 57.16 57.39 2gri n GLU 60 Cb 0.36 -1.57 0.61 0.00 -0.57 0.00 0.00 31.44 30.27 2gri n GLU 60 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2gri h ALA 61 N -0.86 2.57 -0.55 0.62 0.00 -1.30 0.26 119.26 119.99 2gri h ALA 61 Ca -0.40 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 2gri h ALA 61 Cb 1.29 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2gri h ALA 61 CO -0.24 -0.90 -0.05 -0.39 0.00 0.00 0.00 179.25 177.67 2gri h VAL 62 N 0.21 1.26 0.00 0.00 -1.51 -1.32 -2.61 116.25 112.29 2gri h VAL 62 Ca 0.52 -1.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 2gri h VAL 62 Cb 1.66 0.89 -0.00 0.00 -2.13 0.00 0.00 31.29 31.70 2gri h VAL 62 CO -0.14 0.42 -0.02 0.58 -1.23 0.00 0.00 177.57 177.18 2gri h VAL 63 N 0.90 0.00 -0.47 7.19 2.07 -0.64 0.28 116.25 125.58 2gri h VAL 63 Ca 0.15 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.77 2gri h VAL 63 Cb 0.59 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.27 2gri h VAL 63 CO 0.04 0.00 -0.11 0.07 0.02 0.00 0.00 177.57 177.59 2gri h LYS 64 N -0.03 0.01 -0.65 1.57 2.10 -1.63 0.14 116.57 118.08 2gri h LYS 64 Ca -0.00 -0.00 0.15 0.00 -2.00 0.00 0.00 60.65 58.80 2gri h LYS 64 Cb 0.03 -0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.32 2gri h LYS 64 CO -0.01 0.01 0.45 1.15 -2.00 0.00 0.00 179.45 179.05 2gri h THR 65 N 0.01 0.76 -2.29 0.07 2.02 -1.23 -2.63 112.91 109.62 2gri h THR 65 Ca 0.23 -0.07 -0.64 0.00 0.77 0.00 0.00 66.41 66.70 2gri h THR 65 Cb 0.35 0.53 -0.39 0.00 -1.74 0.00 0.00 68.15 66.90 2gri h THR 65 CO -0.48 0.04 -0.28 0.18 0.37 0.00 0.00 175.52 175.35 2gri n LEU 66 N -4.42 4.98 -1.77 2.58 4.77 0.97 -4.75 117.00 119.36 2gri n LEU 66 Ca 0.12 -5.59 -0.07 0.00 -0.03 0.00 0.00 56.01 50.44 2gri n LEU 66 Cb 0.58 -0.71 0.07 0.00 -2.33 0.00 0.00 43.42 41.03 2gri n LEU 66 CO 0.35 2.24 0.17 0.00 -1.33 0.00 0.00 177.39 178.81 2gri n GLN 67 N -0.01 2.18 -0.01 3.23 6.02 -0.99 -4.83 117.38 122.96 2gri n GLN 67 Ca 0.34 -3.50 -0.13 0.00 -0.01 0.00 0.00 57.00 53.69 2gri n GLN 67 Cb 0.37 -1.64 -0.10 0.00 1.02 0.00 0.00 30.24 29.89 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 1.81 0.01 -0.40 -1.09 0.13 -1.85 -3.42 132.00 127.19 2gri h PRO 68 Ca 0.08 -0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.92 2gri h PRO 68 Cb 1.40 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.33 2gri h PRO 68 CO 0.35 0.49 -0.61 1.33 -0.23 0.00 0.00 178.00 179.34 2gri n VAL 69 N -4.85 -0.11 0.86 1.56 0.24 -1.26 -4.96 118.33 109.82 2gri n VAL 69 Ca -0.08 -2.04 0.10 0.00 -2.04 0.00 0.00 64.34 60.28 2gri n VAL 69 Cb 0.25 0.91 0.48 0.00 -1.47 0.00 0.00 33.84 34.02 2gri n VAL 69 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2gri n SER 70 N 1.21 0.00 0.25 -1.34 7.64 -1.26 -2.73 113.62 117.39 2gri n SER 70 Ca 0.11 0.21 0.16 0.00 1.01 0.00 0.00 58.87 60.36 2gri n SER 70 Cb 0.64 -0.38 0.67 0.00 -1.01 0.00 0.00 64.21 64.13 2gri n SER 70 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2gri h ASP 71 N 0.00 0.00 0.07 6.43 5.19 -1.97 -3.07 116.42 123.07 2gri h ASP 71 Ca 0.00 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.04 2gri h ASP 71 Cb 0.26 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.72 2gri h ASP 71 CO 0.00 0.00 -2.27 0.00 -3.12 0.00 0.00 179.24 173.85 2gri n LEU 72 N -2.93 2.51 -0.29 1.55 -0.00 -1.10 -4.36 117.00 112.38 2gri n LEU 72 Ca 0.01 0.02 0.06 0.00 -0.00 0.00 0.00 56.01 56.09 2gri n LEU 72 Cb 0.28 -0.81 0.20 0.00 -0.00 0.00 0.00 43.42 43.10 2gri n LEU 72 CO 0.26 0.85 1.11 -0.07 -0.00 0.00 0.00 177.39 179.53 2gri h LEU 73 N 0.02 0.56 -2.83 1.47 4.07 -1.64 0.30 115.31 117.28 2gri h LEU 73 Ca -0.51 0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.53 2gri h LEU 73 Cb 1.98 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 43.70 2gri h LEU 73 CO -0.01 0.27 0.04 0.74 -1.08 0.00 0.00 178.44 178.40 2gri h THR 74 N 0.67 0.06 0.00 0.22 2.02 -0.78 0.36 112.91 115.46 2gri h THR 74 Ca 0.44 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 67.41 2gri h THR 74 Cb 0.56 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 2gri h THR 74 CO -0.33 0.00 -1.00 -0.55 0.37 0.00 0.00 175.52 174.02 2gri h ASN 75 N 0.00 0.01 0.57 4.18 7.08 -0.60 -3.24 115.58 123.59 2gri h ASN 75 Ca 0.00 -0.02 0.00 0.00 -3.08 0.00 0.00 56.30 53.21 2gri h ASN 75 Cb 0.08 -0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.32 2gri h ASN 75 CO -0.00 1.00 -0.75 1.15 -2.08 0.00 0.00 177.43 176.75 2gri n MET 76 N -3.37 0.20 0.00 4.14 0.00 -0.04 -4.97 117.12 113.07 2gri n MET 76 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.72 2gri n MET 76 Cb 0.93 -1.59 0.00 0.00 0.00 0.00 0.00 33.22 32.56 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 1.40 3.81 3.69 3.17 0.00 -0.27 -5.09 105.19 111.90 2gri n GLY 77 Ca 0.03 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 2gri n GLY 77 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2gri n ILE 78 N 0.00 0.35 -3.86 -0.61 5.41 -0.83 -4.75 119.36 115.06 2gri n ILE 78 Ca 0.00 -0.06 -0.30 0.00 1.00 0.00 0.00 62.75 63.39 2gri n ILE 78 Cb 0.00 -2.06 -0.16 0.00 -0.71 0.00 0.00 39.64 36.71 2gri n ILE 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2gri s ASP 79 N 2.65 3.81 0.52 4.38 -1.08 -1.26 -0.63 116.67 125.06 2gri s ASP 79 Ca 0.82 -1.33 0.32 0.00 -0.52 0.00 0.00 52.55 51.84 2gri s ASP 79 Cb -0.51 -1.04 1.45 0.00 -1.46 0.00 0.00 42.92 41.36 2gri s ASP 79 CO 0.38 -0.31 1.83 0.25 0.52 0.00 0.00 175.17 177.85 2gri h LEU 80 N 8.01 0.08 -1.91 -1.34 5.85 -1.93 0.35 115.31 124.41 2gri h LEU 80 Ca -0.15 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.70 2gri h LEU 80 Cb 1.06 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 2gri h LEU 80 CO 0.42 0.02 0.48 -0.78 -0.34 0.00 0.00 178.44 178.25 2gri h ASP 81 N 0.07 0.00 0.49 1.25 3.58 -1.98 0.27 116.42 120.10 2gri h ASP 81 Ca 0.51 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.67 2gri h ASP 81 Cb 1.91 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.92 2gri h ASP 81 CO -0.05 0.00 -1.65 1.05 -2.88 0.00 0.00 179.24 175.70 2gri h GLU 82 N 0.00 0.06 -0.59 0.28 4.11 -0.66 -3.34 114.58 114.44 2gri h GLU 82 Ca 0.19 -0.10 0.17 0.00 0.07 0.00 0.00 59.36 59.69 2gri h GLU 82 Cb 1.16 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 2gri h GLU 82 CO -0.00 0.70 0.44 -1.49 0.07 0.00 0.00 179.01 178.73 2gri h TRP 83 N 0.02 0.00 0.00 2.06 4.06 -0.47 0.36 115.95 121.98 2gri h TRP 83 Ca -0.27 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.54 2gri h TRP 83 Cb 1.99 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 30.13 2gri h TRP 83 CO 0.02 0.00 -0.87 0.77 -3.56 0.00 0.00 178.44 174.80 2gri h SER 84 N 0.00 0.00 -0.74 -3.49 0.02 -1.66 -3.33 113.55 104.35 2gri h SER 84 Ca 0.28 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.69 2gri h SER 84 Cb 1.15 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.28 2gri h SER 84 CO -0.00 0.58 -0.68 1.33 -1.14 0.00 0.00 176.83 176.92 2gri n VAL 85 N -3.13 2.60 -4.23 2.27 0.24 0.92 -5.03 118.33 111.97 2gri n VAL 85 Ca -0.02 -4.09 -0.29 0.00 -2.04 0.00 0.00 64.34 57.90 2gri n VAL 85 Cb 0.79 -1.11 -0.03 0.00 -1.47 0.00 0.00 33.84 32.02 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 -3.60 4.31 -0.30 2.33 0.00 0.81 -4.95 121.76 120.36 2gri s ALA 86 Ca 0.52 -0.90 -0.09 0.00 0.00 0.00 0.00 51.96 51.48 2gri s ALA 86 Cb 0.42 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 2gri s ALA 86 CO 0.03 -0.28 0.15 0.99 0.00 0.00 0.00 175.76 176.65 2gri s THR 87 N -2.81 4.59 -0.17 0.00 2.01 -1.26 -5.04 115.64 112.96 2gri s THR 87 Ca 0.23 -0.39 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 2gri s THR 87 Cb -0.01 -3.32 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 2gri s THR 87 CO 0.14 0.09 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.70 2gri s PHE 88 N 1.62 2.87 0.25 4.92 0.40 -1.26 -4.71 117.98 122.07 2gri s PHE 88 Ca 0.05 -0.82 0.02 0.00 -0.60 0.00 0.00 56.93 55.58 2gri s PHE 88 Cb -0.17 -1.94 0.02 0.00 0.51 0.00 0.00 43.02 41.44 2gri s PHE 88 CO 0.06 -0.37 0.16 0.66 0.70 0.00 0.00 175.22 176.43 2gri n TYR 89 N 4.05 -0.86 -3.72 0.36 4.01 0.89 -4.86 117.16 117.03 2gri n TYR 89 Ca -0.18 -1.08 -0.11 0.00 -0.16 0.00 0.00 57.90 56.36 2gri n TYR 89 Cb 0.52 -0.20 -0.07 0.00 -0.31 0.00 0.00 39.34 39.28 2gri n TYR 89 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2gri s LEU 90 N 0.00 0.71 0.32 7.72 1.43 -1.26 -2.53 118.68 125.07 2gri s LEU 90 Ca 0.12 -0.19 -0.16 0.00 -1.03 0.00 0.00 54.13 52.87 2gri s LEU 90 Cb -0.01 1.51 0.03 0.00 0.03 0.00 0.00 46.19 47.75 2gri s LEU 90 CO 0.08 -0.67 0.70 -0.36 0.23 0.00 0.00 176.35 176.32 2gri s PHE 91 N -2.82 0.10 0.00 0.29 0.08 -0.34 -4.42 117.98 110.87 2gri s PHE 91 Ca -0.03 -0.61 0.00 0.00 0.12 0.00 0.00 56.93 56.41 2gri s PHE 91 Cb 0.00 0.64 0.00 0.00 -0.57 0.00 0.00 43.02 43.09 2gri s PHE 91 CO -0.05 -1.33 0.00 -0.25 -0.10 0.00 0.00 175.22 173.49 2gri n ASP 92 N -0.90 1.54 -0.34 1.36 9.92 0.52 -0.97 116.55 127.69 2gri n ASP 92 Ca -0.05 -0.70 0.14 0.00 -0.53 0.00 0.00 54.79 53.65 2gri n ASP 92 Cb 0.60 0.00 0.64 0.00 -0.64 0.00 0.00 41.12 41.71 2gri n ASP 92 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2gri n ASP 93 N -1.02 1.05 -0.02 -2.24 -0.08 -1.26 -3.73 116.55 109.25 2gri n ASP 93 Ca 0.00 -1.37 -0.00 0.00 -1.51 0.00 0.00 54.79 51.91 2gri n ASP 93 Cb 0.00 -0.01 -0.05 0.00 2.34 0.00 0.00 41.12 43.40 2gri n ASP 93 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2gri n ALA 94 N -0.17 2.02 0.00 -1.67 0.00 -1.26 -5.02 120.51 114.40 2gri n ALA 94 Ca 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2gri n ALA 94 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 2.41 1.99 3.22 0.00 0.00 -1.24 -5.14 105.19 106.43 2gri n GLY 95 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.16 1.31 -1.20 1.61 1.03 -1.26 -4.86 118.70 115.16 2gri s GLU 96 Ca 0.00 -0.88 -0.12 0.00 0.03 0.00 0.00 54.97 54.00 2gri s GLU 96 Cb 0.00 -1.39 0.19 0.00 -0.80 0.00 0.00 34.13 32.13 2gri s GLU 96 CO 0.00 0.36 1.42 -1.91 -1.33 0.00 0.00 175.26 173.80 2gri n GLU 97 N 1.93 3.44 -1.84 -4.83 2.13 -1.26 -0.35 120.64 119.86 2gri n GLU 97 Ca -0.17 -3.94 0.00 0.00 0.66 0.00 0.00 57.16 53.71 2gri n GLU 97 Cb 0.54 -2.94 0.00 0.00 0.27 0.00 0.00 31.44 29.30 2gri n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2gri n ASN 98 N 4.93 1.79 -2.76 4.31 0.23 -1.26 -4.95 115.26 117.55 2gri n ASN 98 Ca 0.35 -0.92 -0.28 0.00 -0.53 0.00 0.00 54.58 53.20 2gri n ASN 98 Cb 0.41 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.10 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 3.64 -1.93 -2.53 1.16 -1.26 -4.82 117.46 111.72 2gri n PHE 99 Ca 0.00 -3.42 -0.30 0.00 -1.87 0.00 0.00 57.45 51.86 2gri n PHE 99 Cb 0.00 -0.38 0.21 0.00 -1.61 0.00 0.00 39.48 37.70 2gri n PHE 99 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2gri s SER 100 N -3.26 2.82 0.24 5.98 0.15 -1.26 -4.95 113.70 113.43 2gri s SER 100 Ca 0.48 0.17 -0.05 0.00 0.70 0.00 0.00 55.95 57.26 2gri s SER 100 Cb 0.34 -0.13 0.44 0.00 -1.71 0.00 0.00 66.02 64.97 2gri s SER 100 CO -0.18 -2.91 1.73 -1.28 1.20 0.00 0.00 173.24 171.80 2gri h SER 101 N -1.77 0.27 -3.46 5.45 0.87 -1.97 -3.38 113.55 109.55 2gri h SER 101 Ca -0.44 0.11 -0.62 0.00 -1.23 0.00 0.00 61.79 59.60 2gri h SER 101 Cb 1.22 0.09 -0.17 0.00 -0.44 0.00 0.00 62.40 63.10 2gri h SER 101 CO 0.32 0.10 -0.56 -0.60 -0.53 0.00 0.00 176.83 175.57 2gri s ARG 102 N -6.03 3.94 -0.08 2.24 6.06 -1.26 -3.83 118.95 120.00 2gri s ARG 102 Ca -0.12 -0.35 0.03 0.00 -2.50 0.00 0.00 55.73 52.79 2gri s ARG 102 Cb 0.20 -3.35 0.01 0.00 0.06 0.00 0.00 34.95 31.88 2gri s ARG 102 CO 0.76 0.11 -0.16 1.41 -2.50 0.00 0.00 175.30 174.92 2gri s MET 103 N 0.85 2.19 -0.27 5.12 -2.45 -1.07 -4.67 119.30 119.00 2gri s MET 103 Ca 0.05 -0.58 -0.07 0.00 -1.25 0.00 0.00 55.69 53.84 2gri s MET 103 Cb -0.13 -1.73 -0.01 0.00 1.25 0.00 0.00 34.83 34.21 2gri s MET 103 CO 0.03 0.08 0.06 0.71 1.05 0.00 0.00 175.02 176.94 2gri s TYR 104 N 0.56 3.10 -0.90 4.11 2.02 -0.14 -2.84 117.35 123.25 2gri s TYR 104 Ca -0.16 -0.76 -0.24 0.00 -0.37 0.00 0.00 57.07 55.54 2gri s TYR 104 Cb -0.17 -2.23 0.05 0.00 -0.40 0.00 0.00 41.96 39.21 2gri s TYR 104 CO 0.05 -0.49 1.35 0.00 -1.57 0.00 0.00 175.55 174.89 2gri s SER 106 N 4.41 6.95 0.00 0.00 1.04 -1.05 -4.08 113.70 120.96 2gri s SER 106 Ca 0.40 1.13 0.29 0.00 0.48 0.00 0.00 55.95 58.24 2gri s SER 106 Cb -0.04 -2.33 1.18 0.00 0.10 0.00 0.00 66.02 64.93 2gri s SER 106 CO -0.00 0.20 1.83 2.22 0.98 0.00 0.00 173.24 178.47 2gri n PHE 107 N 2.27 0.00 -4.28 5.02 1.16 -1.26 -0.08 117.46 120.29 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 0.51 -0.16 -0.09 0.00 -1.61 0.00 0.00 39.48 38.13 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 -2.43 2.66 0.96 2.97 1.13 -1.26 -4.77 117.35 116.60 2gri s TYR 108 Ca 0.29 -0.21 -0.12 0.00 -1.41 0.00 0.00 57.07 55.62 2gri s TYR 108 Cb 0.20 -1.28 0.16 0.00 -1.10 0.00 0.00 41.96 39.94 2gri s TYR 108 CO 0.47 0.53 1.09 -1.25 -2.51 0.00 0.00 175.55 173.88 2gri s PRO 109 N -2.92 0.78 0.01 -3.49 0.04 -1.26 -4.63 135.00 123.53 2gri s PRO 109 Ca 0.26 0.65 -0.23 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 0.16 -2.53 1.30 -1.00 0.04 0.00 0.00 177.00 174.97 2gri h PRO 110 N -1.75 0.17 0.00 0.56 0.13 -1.99 -3.47 132.00 125.65 2gri h PRO 110 Ca -0.52 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 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 0.61 0.00 -0.25 -0.23 0.00 0.00 178.00 178.69 2gri n ASP 111 N -4.71 0.00 0.00 1.44 8.00 -1.26 -5.21 116.55 114.81 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 -0.62 -0.39 0.00 0.00 177.20 176.19