#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gri h PRO 2 N 0.00 0.00 -2.33 0.00 0.13 -2.02 -3.49 132.00 124.29 2gri h PRO 2 Ca 0.00 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 65.41 2gri h PRO 2 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 2gri h PRO 2 CO 0.00 0.48 -0.39 -0.89 -0.23 0.00 0.00 178.00 176.97 2gri n ILE 3 N -3.94 0.00 0.96 -3.56 5.41 -1.26 -3.67 119.36 113.30 2gri n ILE 3 Ca -0.02 0.01 0.10 0.00 1.00 0.00 0.00 62.75 63.84 2gri n ILE 3 Cb 0.50 -0.37 0.50 0.00 -0.71 0.00 0.00 39.64 39.57 2gri n ILE 3 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 2gri n LYS 4 N -3.21 0.31 0.00 0.38 2.85 -1.16 -4.88 118.16 112.45 2gri n LYS 4 Ca 0.01 0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 2gri n LYS 4 Cb 0.62 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.50 2gri n LYS 4 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2gri n GLY 5 N 0.37 3.38 3.69 2.58 0.00 -1.24 -5.08 105.19 108.88 2gri n GLY 5 Ca 0.10 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 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 0.00 3.44 0.44 1.61 1.01 -1.26 -5.03 120.40 120.61 2gri s VAL 6 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.18 2gri s VAL 6 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.44 2gri s VAL 6 CO 0.00 -0.32 0.00 0.41 0.00 0.00 0.00 175.10 175.19 2gri n THR 7 N -1.00 -2.38 -3.64 3.92 -1.04 -1.26 -5.05 114.28 103.84 2gri n THR 7 Ca -0.06 1.16 -0.10 0.00 -2.04 0.00 0.00 64.05 63.01 2gri n THR 7 Cb 0.59 -1.89 -0.07 0.00 -1.82 0.00 0.00 70.33 67.15 2gri n THR 7 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2gri s PHE 8 N -4.90 -0.70 -0.69 -1.42 -0.71 -1.26 -4.85 117.98 103.45 2gri s PHE 8 Ca 0.00 1.63 -0.04 0.00 -1.04 0.00 0.00 56.93 57.48 2gri s PHE 8 Cb 0.00 0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 42.12 2gri s PHE 8 CO 0.00 -0.34 0.60 0.41 -1.34 0.00 0.00 175.22 174.55 2gri n GLY 9 N 2.83 -0.43 0.04 1.99 0.00 -1.26 -4.98 105.19 103.38 2gri n GLY 9 Ca -0.15 0.27 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.65 1.62 0.07 1.61 -0.58 -1.26 -4.99 120.64 114.47 2gri n GLU 10 Ca -0.05 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2gri n GLU 10 Cb 0.58 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 30.25 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 -2.51 -0.08 -3.70 1.62 -0.08 -1.26 -5.18 116.55 105.36 2gri n ASP 11 Ca -0.15 0.24 0.02 0.00 -1.51 0.00 0.00 54.79 53.39 2gri n ASP 11 Cb 0.73 0.20 0.00 0.00 2.34 0.00 0.00 41.12 44.39 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 -1.48 0.00 0.41 5.18 -1.32 -1.26 -5.13 115.64 112.04 2gri s THR 12 Ca 0.00 -0.21 0.02 0.00 -1.21 0.00 0.00 61.69 60.28 2gri s THR 12 Cb 0.00 -2.49 -0.01 0.00 -1.51 0.00 0.00 72.50 68.49 2gri s THR 12 CO 0.00 0.00 0.61 -0.69 -2.21 0.00 0.00 174.62 172.33 2gri s VAL 13 N -2.22 4.12 -1.22 5.08 1.01 -1.26 -3.64 120.40 122.28 2gri s VAL 13 Ca 0.22 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2gri s VAL 13 Cb 0.02 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2gri s VAL 13 CO -0.02 -0.31 0.00 0.79 0.00 0.00 0.00 175.10 175.56 2gri n TRP 14 N -1.94 0.00 0.00 5.22 7.02 -1.26 -4.65 117.44 121.83 2gri n TRP 14 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2gri n TRP 14 Cb 0.58 -2.56 0.00 0.00 -2.42 0.00 0.00 31.31 26.91 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 -1.47 0.00 -0.09 -0.99 -0.58 -1.26 -4.91 120.64 111.35 2gri n GLU 15 Ca -0.11 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.52 2gri n GLU 15 Cb 0.53 -0.51 -0.09 0.00 -0.57 0.00 0.00 31.44 30.80 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 -1.75 1.03 -0.15 2.62 0.31 -1.24 -4.47 118.33 114.68 2gri n VAL 16 Ca 0.00 -0.47 0.27 0.00 -0.01 0.00 0.00 64.34 64.13 2gri n VAL 16 Cb 0.07 -0.99 0.71 0.00 -0.91 0.00 0.00 33.84 32.72 2gri n VAL 16 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 2gri h GLN 17 N 0.00 0.02 -3.39 5.55 3.07 -1.92 -3.42 115.11 115.03 2gri h GLN 17 Ca -0.40 -0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.13 2gri h GLN 17 Cb 1.71 -0.01 0.07 0.00 0.08 0.00 0.00 27.48 29.33 2gri h GLN 17 CO -0.04 0.02 -0.35 0.41 0.09 0.00 0.00 178.83 178.96 2gri n GLY 18 N -1.69 0.16 3.68 0.06 0.00 -1.26 -2.99 105.19 103.15 2gri n GLY 18 Ca 0.17 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.13 0.37 0.22 1.61 2.02 -1.26 -2.80 117.35 114.38 2gri s TYR 19 Ca 0.29 -0.81 -0.02 0.00 -0.37 0.00 0.00 57.07 56.16 2gri s TYR 19 Cb -0.13 0.41 0.01 0.00 -0.40 0.00 0.00 41.96 41.85 2gri s TYR 19 CO 0.35 -1.25 0.32 1.63 -1.57 0.00 0.00 175.55 175.04 2gri n LYS 20 N -0.49 0.46 -3.48 -0.62 4.01 -0.19 -4.63 118.16 113.23 2gri n LYS 20 Ca -0.03 -1.76 -0.28 0.00 -0.51 0.00 0.00 58.31 55.73 2gri n LYS 20 Cb 0.61 1.71 -0.13 0.00 -0.51 0.00 0.00 35.03 36.71 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 -2.37 3.00 -0.12 4.39 0.01 -1.26 -3.38 114.94 115.22 2gri s ASN 21 Ca 0.18 -1.88 -0.04 0.00 -0.71 0.00 0.00 52.86 50.41 2gri s ASN 21 Cb -0.01 -0.31 -0.03 0.00 0.41 0.00 0.00 41.25 41.30 2gri s ASN 21 CO 0.13 -0.34 0.03 0.54 -1.51 0.00 0.00 177.10 175.94 2gri s VAL 22 N 1.40 4.53 0.16 1.60 0.11 -0.93 -4.82 120.40 122.44 2gri s VAL 22 Ca 0.15 -0.15 0.09 0.00 -2.93 0.00 0.00 61.98 59.14 2gri s VAL 22 Cb -0.21 -2.95 -0.04 0.00 -1.53 0.00 0.00 36.38 31.65 2gri s VAL 22 CO -0.10 0.57 -0.15 -0.60 -3.33 0.00 0.00 175.10 171.48 2gri s ARG 23 N -0.55 1.86 -0.08 1.54 3.52 -1.13 -0.79 118.95 123.32 2gri s ARG 23 Ca 0.10 -1.28 0.02 0.00 -0.13 0.00 0.00 55.73 54.44 2gri s ARG 23 Cb -0.12 -2.09 -0.02 0.00 -1.56 0.00 0.00 34.95 31.16 2gri s ARG 23 CO 0.02 0.45 -0.13 0.42 -0.81 0.00 0.00 175.30 175.25 2gri s ILE 24 N -1.49 3.14 -0.48 4.11 -1.09 0.23 -2.77 121.20 122.85 2gri s ILE 24 Ca 0.22 -0.67 0.06 0.00 -2.23 0.00 0.00 60.65 58.02 2gri s ILE 24 Cb -0.09 -2.27 0.19 0.00 -1.58 0.00 0.00 42.46 38.71 2gri s ILE 24 CO 0.12 0.57 0.75 -0.89 -1.23 0.00 0.00 174.94 174.26 2gri s THR 25 N -0.39 -0.91 0.00 2.92 2.01 -1.26 -4.65 115.64 113.36 2gri s THR 25 Ca 0.04 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.32 2gri s THR 25 Cb -0.12 0.00 0.00 0.00 0.01 0.00 0.00 72.50 72.39 2gri s THR 25 CO 0.02 0.00 0.00 0.33 -0.69 0.00 0.00 174.62 174.28 2gri n PHE 26 N 3.20 0.00 0.00 4.92 7.35 -1.26 -4.84 117.46 126.82 2gri n PHE 26 Ca 0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.85 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 -0.89 0.00 0.11 -4.13 -0.58 -1.26 -5.02 120.64 108.88 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 1.28 -0.48 0.00 0.00 177.13 177.93 2gri n LEU 28 N 0.00 -0.03 -4.16 -4.62 7.99 -1.26 -4.81 117.00 110.11 2gri n LEU 28 Ca 0.00 0.39 -0.16 0.00 -0.01 0.00 0.00 56.01 56.23 2gri n LEU 28 Cb 0.00 0.28 -0.11 0.00 -0.11 0.00 0.00 43.42 43.48 2gri n LEU 28 CO 0.00 -0.74 -0.43 -0.62 -1.51 0.00 0.00 177.39 174.09 2gri s ASP 29 N -5.10 1.48 0.50 -1.43 2.15 -1.24 -5.02 116.67 108.01 2gri s ASP 29 Ca 0.00 -0.69 0.29 0.00 0.43 0.00 0.00 52.55 52.58 2gri s ASP 29 Cb 0.00 -0.02 0.98 0.00 -0.30 0.00 0.00 42.92 43.58 2gri s ASP 29 CO 0.00 -0.17 1.84 1.05 -0.17 0.00 0.00 175.17 177.72 2gri h GLU 30 N 4.00 0.00 0.00 4.34 4.11 -2.01 -3.19 114.58 121.82 2gri h GLU 30 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.04 2gri h GLU 30 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2gri h GLU 30 CO 0.46 0.04 -0.96 0.54 0.07 0.00 0.00 179.01 179.15 2gri n ARG 31 N -3.13 1.03 -2.90 1.06 3.00 -1.26 -4.80 116.66 109.66 2gri n ARG 31 Ca 0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.56 2gri n ARG 31 Cb 0.40 -0.98 -0.03 0.00 0.00 0.00 0.00 32.46 31.85 2gri n ARG 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2gri n VAL 32 N -1.55 3.68 -0.03 1.55 0.31 -1.24 -4.67 118.33 116.37 2gri n VAL 32 Ca 0.00 -5.66 -0.03 0.00 -0.01 0.00 0.00 64.34 58.64 2gri n VAL 32 Cb 0.11 -1.47 -0.05 0.00 -0.91 0.00 0.00 33.84 31.51 2gri n VAL 32 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2gri n ASP 33 N -0.14 3.30 0.09 4.52 -0.08 -1.21 -3.64 116.55 119.40 2gri n ASP 33 Ca 0.34 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.74 2gri n ASP 33 Cb 0.36 0.69 0.45 0.00 2.34 0.00 0.00 41.12 44.97 2gri n ASP 33 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2gri n LYS 34 N -2.24 0.16 0.21 -0.67 0.00 -1.26 -2.58 118.16 111.78 2gri n LYS 34 Ca -0.11 0.31 0.09 0.00 -0.00 0.00 0.00 58.31 58.60 2gri n LYS 34 Cb 0.71 -1.77 0.34 0.00 -0.00 0.00 0.00 35.03 34.31 2gri n LYS 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2gri h VAL 35 N 0.00 0.53 -0.29 0.58 2.07 -1.91 -2.26 116.25 114.96 2gri h VAL 35 Ca 0.00 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.20 2gri h VAL 35 Cb 0.45 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 2gri h VAL 35 CO 0.00 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.83 2gri n LEU 36 N -3.30 2.75 -0.06 2.57 -0.00 -1.07 -2.33 117.00 115.57 2gri n LEU 36 Ca 0.01 -1.80 -0.06 0.00 -0.00 0.00 0.00 56.01 54.16 2gri n LEU 36 Cb 0.50 -0.19 -0.07 0.00 -0.00 0.00 0.00 43.42 43.66 2gri n LEU 36 CO 0.35 0.66 -0.86 0.59 -0.00 0.00 0.00 177.39 178.13 2gri n ASN 37 N 0.57 2.71 0.00 1.45 3.02 -1.15 -3.57 115.26 118.29 2gri n ASN 37 Ca 0.11 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2gri n ASN 37 Cb 0.40 0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.95 2gri n ASN 37 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2gri n GLU 38 N -2.57 0.00 0.10 3.52 1.02 -0.86 -4.41 120.64 117.45 2gri n GLU 38 Ca -0.19 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.07 2gri n GLU 38 Cb 0.79 -0.79 0.46 0.00 -0.02 0.00 0.00 31.44 31.88 2gri n GLU 38 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2gri n LYS 39 N -2.59 0.18 0.00 3.49 5.02 -1.20 -4.59 118.16 118.47 2gri n LYS 39 Ca 0.00 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2gri n LYS 39 Cb 0.46 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 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 0.00 0.04 -4.74 0.00 3.41 -1.23 -3.76 113.62 107.34 2gri n SER 41 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 2gri n SER 41 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 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 -1.20 5.02 0.01 -3.33 0.11 -1.26 -0.60 120.40 119.16 2gri s VAL 42 Ca 0.00 1.24 -0.02 0.00 -2.93 0.00 0.00 61.98 60.27 2gri s VAL 42 Cb 0.00 -3.94 -0.01 0.00 -1.53 0.00 0.00 36.38 30.90 2gri s VAL 42 CO 0.00 0.34 0.02 -0.31 -3.33 0.00 0.00 175.10 171.82 2gri s TYR 43 N 0.33 0.19 0.30 1.54 1.51 0.03 -4.98 117.35 116.27 2gri s TYR 43 Ca 0.32 -0.40 -0.09 0.00 -1.01 0.00 0.00 57.07 55.88 2gri s TYR 43 Cb -0.17 -0.15 -0.07 0.00 -0.11 0.00 0.00 41.96 41.46 2gri s TYR 43 CO 0.16 -0.21 0.63 0.99 -1.11 0.00 0.00 175.55 176.01 2gri s THR 44 N -1.38 4.88 -0.12 -0.71 2.01 -1.26 -2.20 115.64 116.86 2gri s THR 44 Ca -0.15 0.46 -0.08 0.00 0.31 0.00 0.00 61.69 62.24 2gri s THR 44 Cb -0.09 -3.68 0.04 0.00 0.01 0.00 0.00 72.50 68.79 2gri s THR 44 CO -0.00 -0.27 0.29 0.54 -0.69 0.00 0.00 174.62 174.49 2gri s VAL 45 N -2.05 -0.02 0.70 3.82 0.11 -1.22 -4.96 120.40 116.78 2gri s VAL 45 Ca 0.48 0.09 -0.12 0.00 -2.93 0.00 0.00 61.98 59.50 2gri s VAL 45 Cb -0.11 -0.43 0.17 0.00 -1.53 0.00 0.00 36.38 34.49 2gri s VAL 45 CO 0.25 0.04 0.63 -1.84 -3.33 0.00 0.00 175.10 170.85 2gri n GLU 46 N 3.78 -2.21 0.00 1.54 0.28 -1.26 -1.03 120.64 121.75 2gri n GLU 46 Ca -0.21 -1.01 0.14 0.00 -0.16 0.00 0.00 57.16 55.93 2gri n GLU 46 Cb 0.55 -0.94 0.60 0.00 1.43 0.00 0.00 31.44 33.09 2gri n GLU 46 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2gri n SER 47 N -4.06 1.22 -3.38 -1.84 2.88 -1.12 -4.38 113.62 102.94 2gri n SER 47 Ca 0.09 -1.40 -0.26 0.00 -1.33 0.00 0.00 58.87 55.97 2gri n SER 47 Cb 0.34 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.72 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 1.14 3.71 3.13 0.46 0.00 -1.26 -5.08 105.19 107.28 2gri n GLY 48 Ca 0.20 -2.14 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.62 0.66 0.22 2.61 2.01 -1.26 -5.17 115.64 113.09 2gri s THR 49 Ca 0.36 -1.56 0.09 0.00 0.31 0.00 0.00 61.69 60.89 2gri s THR 49 Cb 0.13 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 2gri s THR 49 CO -0.08 -0.64 -0.03 -1.61 -0.69 0.00 0.00 174.62 171.56 2gri s GLU 50 N -2.80 2.25 0.47 4.92 0.41 -1.26 -5.00 118.70 117.68 2gri s GLU 50 Ca 0.02 -1.29 0.32 0.00 -0.41 0.00 0.00 54.97 53.61 2gri s GLU 50 Cb -0.02 -2.21 1.66 0.00 -1.78 0.00 0.00 34.13 31.78 2gri s GLU 50 CO -0.02 0.41 1.97 0.28 -0.49 0.00 0.00 175.26 177.41 2gri h VAL 51 N 2.31 0.00 0.00 2.63 2.07 -1.97 -0.58 116.25 120.70 2gri h VAL 51 Ca -0.46 -0.07 -0.10 0.00 0.82 0.00 0.00 66.70 66.89 2gri h VAL 51 Cb 1.22 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 2gri h VAL 51 CO 0.58 0.00 -1.23 0.00 0.02 0.00 0.00 177.57 176.94 2gri h THR 52 N 0.00 0.31 -0.11 2.57 1.03 -1.97 -3.35 112.91 111.39 2gri h THR 52 Ca 0.00 -1.60 -0.07 0.00 -0.01 0.00 0.00 66.41 64.73 2gri h THR 52 Cb 0.08 1.83 -0.01 0.00 -1.07 0.00 0.00 68.15 68.98 2gri h THR 52 CO 0.00 0.17 -0.23 -0.08 -0.01 0.00 0.00 175.52 175.37 2gri h GLU 53 N 0.00 0.19 0.00 0.00 4.81 -1.49 -1.97 114.58 116.12 2gri h GLU 53 Ca -0.10 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2gri h GLU 53 Cb 1.35 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.71 2gri h GLU 53 CO 0.03 0.42 0.00 0.74 -0.73 0.00 0.00 179.01 179.47 2gri h PHE 54 N 0.17 0.00 0.00 0.92 0.04 -1.68 -2.92 116.94 113.48 2gri h PHE 54 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2gri h PHE 54 Cb 0.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.66 2gri h PHE 54 CO 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.72 2gri n ALA 55 N -1.98 1.96 0.16 2.45 0.00 -0.74 -1.11 120.51 121.25 2gri n ALA 55 Ca 0.03 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.44 2gri n ALA 55 Cb 0.39 -1.30 -0.07 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.62 0.26 0.10 0.00 3.14 -1.02 -3.84 118.33 115.34 2gri n VAL 57 Ca -0.00 -0.57 0.04 0.00 -2.96 0.00 0.00 64.34 60.85 2gri n VAL 57 Cb 0.22 -0.09 -0.01 0.00 -1.06 0.00 0.00 33.84 32.90 2gri n VAL 57 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 2gri h VAL 58 N 0.00 0.44 0.00 1.55 2.07 -1.36 -2.92 116.25 116.03 2gri h VAL 58 Ca -0.10 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.68 2gri h VAL 58 Cb 1.22 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 2gri h VAL 58 CO 0.01 0.25 -0.67 0.00 0.02 0.00 0.00 177.57 177.18 2gri n ALA 59 N -2.27 3.06 0.58 1.67 0.00 -1.26 -2.10 120.51 120.19 2gri n ALA 59 Ca -0.03 -0.28 0.07 0.00 0.00 0.00 0.00 53.44 53.20 2gri n ALA 59 Cb 0.72 -1.14 0.07 0.00 0.00 0.00 0.00 19.45 19.09 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 -2.01 1.09 0.00 0.00 -0.00 -1.24 -4.38 120.64 114.09 2gri n GLU 60 Ca 0.03 -1.40 -0.01 0.00 -0.00 0.00 0.00 57.16 55.78 2gri n GLU 60 Cb 0.43 -1.28 -0.00 0.00 -0.00 0.00 0.00 31.44 30.58 2gri n GLU 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2gri n ALA 61 N 0.82 2.92 -0.21 -1.84 0.00 -1.10 -4.54 120.51 116.55 2gri n ALA 61 Ca 0.09 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.49 2gri n ALA 61 Cb 0.37 0.45 0.12 0.00 0.00 0.00 0.00 19.45 20.39 2gri n ALA 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2gri h VAL 62 N -0.04 0.77 -0.77 0.00 2.07 -1.65 -1.23 116.25 115.39 2gri h VAL 62 Ca -0.03 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.36 2gri h VAL 62 Cb 0.89 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 2gri h VAL 62 CO -0.02 0.08 0.51 0.58 0.02 0.00 0.00 177.57 178.74 2gri h VAL 63 N 0.43 1.18 0.01 2.57 2.07 -1.76 0.27 116.25 121.02 2gri h VAL 63 Ca 0.32 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 2gri h VAL 63 Cb 0.40 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2gri h VAL 63 CO -0.31 0.19 -0.01 0.11 0.02 0.00 0.00 177.57 177.57 2gri h LYS 64 N 1.03 -0.02 -0.34 1.57 1.79 -1.50 -3.01 116.57 116.08 2gri h LYS 64 Ca 0.29 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.70 2gri h LYS 64 Cb -0.09 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 2gri h LYS 64 CO -0.07 -0.01 -0.03 1.15 -1.08 0.00 0.00 179.45 179.40 2gri h THR 65 N -0.02 1.27 -0.30 -0.16 2.02 -1.05 -3.21 112.91 111.46 2gri h THR 65 Ca -0.00 -1.05 -0.46 0.00 0.77 0.00 0.00 66.41 65.68 2gri h THR 65 Cb 0.02 1.26 -0.06 0.00 -1.74 0.00 0.00 68.15 67.62 2gri h THR 65 CO 0.00 0.34 1.41 0.18 0.37 0.00 0.00 175.52 177.82 2gri n LEU 66 N -4.47 6.89 -1.78 2.58 4.32 0.94 -4.28 117.00 121.19 2gri n LEU 66 Ca -0.02 -3.90 -0.08 0.00 -0.02 0.00 0.00 56.01 51.99 2gri n LEU 66 Cb 0.30 -1.43 0.07 0.00 -1.62 0.00 0.00 43.42 40.74 2gri n LEU 66 CO 0.40 1.87 0.17 0.00 -1.22 0.00 0.00 177.39 178.61 2gri n GLN 67 N 2.50 2.28 -0.02 3.23 1.13 -1.21 -4.84 117.38 120.46 2gri n GLN 67 Ca 0.58 -3.56 -0.13 0.00 -1.94 0.00 0.00 57.00 51.95 2gri n GLN 67 Cb 0.56 -1.70 -0.10 0.00 0.11 0.00 0.00 30.24 29.12 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 1.84 0.05 -0.10 -1.09 0.13 -1.88 -3.42 132.00 127.52 2gri h PRO 68 Ca 0.10 -0.03 -0.24 0.00 -0.87 0.00 0.00 66.00 64.96 2gri h PRO 68 Cb 1.40 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.37 2gri h PRO 68 CO 0.37 0.53 -0.51 1.33 -0.23 0.00 0.00 178.00 179.49 2gri n VAL 69 N -4.81 -0.03 0.28 1.56 0.24 -1.26 -4.97 118.33 109.33 2gri n VAL 69 Ca -0.08 -1.63 0.18 0.00 -2.04 0.00 0.00 64.34 60.76 2gri n VAL 69 Cb 0.27 1.34 0.94 0.00 -1.47 0.00 0.00 33.84 34.92 2gri n VAL 69 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2gri h SER 70 N 3.76 0.00 -0.04 -1.34 0.02 -1.88 -1.73 113.55 112.34 2gri h SER 70 Ca -0.13 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 2gri h SER 70 Cb 1.04 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 2gri h SER 70 CO 0.29 0.00 0.09 0.44 -1.14 0.00 0.00 176.83 176.51 2gri h ASP 71 N 0.00 0.00 0.05 3.07 5.19 -1.97 -2.14 116.42 120.61 2gri h ASP 71 Ca 0.00 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 56.03 2gri h ASP 71 Cb 0.06 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.51 2gri h ASP 71 CO 0.00 0.00 -2.34 0.00 -3.12 0.00 0.00 179.24 173.78 2gri n LEU 72 N -3.41 2.39 -0.30 1.55 -0.00 -0.65 -4.29 117.00 112.29 2gri n LEU 72 Ca -0.02 -0.03 0.11 0.00 -0.00 0.00 0.00 56.01 56.07 2gri n LEU 72 Cb 0.17 -0.70 0.34 0.00 -0.00 0.00 0.00 43.42 43.23 2gri n LEU 72 CO 0.23 0.84 1.22 -0.07 -0.00 0.00 0.00 177.39 179.60 2gri h LEU 73 N 0.01 0.73 -1.69 1.47 4.07 -1.44 0.28 115.31 118.75 2gri h LEU 73 Ca -0.53 0.05 -0.03 0.00 0.08 0.00 0.00 57.88 57.45 2gri h LEU 73 Cb 1.98 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 43.62 2gri h LEU 73 CO -0.03 0.37 -0.12 0.74 -1.08 0.00 0.00 178.44 178.32 2gri h THR 74 N 0.77 0.41 0.00 0.22 2.02 -0.80 0.33 112.91 115.87 2gri h THR 74 Ca 0.47 -0.66 -0.18 0.00 0.77 0.00 0.00 66.41 66.80 2gri h THR 74 Cb 0.68 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 2gri h THR 74 CO -0.23 0.12 -0.88 0.78 0.37 0.00 0.00 175.52 175.68 2gri h ASN 75 N 0.00 0.00 0.67 4.18 2.35 -0.64 -3.26 115.58 118.87 2gri h ASN 75 Ca -0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.54 2gri h ASN 75 Cb 0.46 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.80 2gri h ASN 75 CO 0.02 0.88 -1.47 0.00 -1.65 0.00 0.00 177.43 175.20 2gri h MET 76 N 0.00 0.00 0.00 0.81 -0.00 -1.07 -3.49 114.93 111.18 2gri h MET 76 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2gri h MET 76 Cb 1.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.16 2gri h MET 76 CO 0.11 0.38 0.00 0.41 -0.00 0.00 0.00 176.91 177.82 2gri n GLY 77 N 1.44 4.06 3.67 -3.00 0.00 -0.08 -5.12 105.19 106.17 2gri n GLY 77 Ca -0.11 -0.63 -0.46 0.00 0.00 0.00 0.00 46.02 44.82 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 0.01 -3.95 -0.61 5.41 -0.14 -4.78 119.36 115.30 2gri n ILE 78 Ca 0.00 -0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.40 2gri n ILE 78 Cb 0.00 -1.56 -0.14 0.00 -0.71 0.00 0.00 39.64 37.23 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 0.91 4.08 0.12 4.38 -1.08 -1.26 -1.63 116.67 122.19 2gri s ASP 79 Ca 0.78 -0.44 0.20 0.00 -0.52 0.00 0.00 52.55 52.58 2gri s ASP 79 Cb -0.67 -1.69 0.82 0.00 -1.46 0.00 0.00 42.92 39.92 2gri s ASP 79 CO 0.38 -0.02 1.62 -0.11 0.52 0.00 0.00 175.17 177.56 2gri n LEU 80 N 4.76 0.32 -0.01 -1.34 -0.00 -1.26 -1.74 117.00 117.72 2gri n LEU 80 Ca -0.19 0.57 0.07 0.00 -0.00 0.00 0.00 56.01 56.46 2gri n LEU 80 Cb 0.51 -0.52 -0.15 0.00 -0.00 0.00 0.00 43.42 43.26 2gri n LEU 80 CO 0.28 -0.35 -0.75 0.47 -0.00 0.00 0.00 177.39 177.05 2gri n ASP 81 N -1.84 0.11 0.04 1.96 9.92 -1.26 -4.30 116.55 121.18 2gri n ASP 81 Ca 0.03 0.04 -0.01 0.00 -0.53 0.00 0.00 54.79 54.33 2gri n ASP 81 Cb 0.22 1.62 -0.08 0.00 -0.64 0.00 0.00 41.12 42.24 2gri n ASP 81 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 2gri h GLU 82 N 0.00 0.00 -0.80 -1.24 4.11 -1.84 -3.35 114.58 111.46 2gri h GLU 82 Ca -0.10 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.41 2gri h GLU 82 Cb 1.24 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 2gri h GLU 82 CO 0.01 0.35 0.53 -1.49 0.07 0.00 0.00 179.01 178.47 2gri h TRP 83 N 0.00 0.83 0.00 2.06 4.06 -1.52 0.12 115.95 121.50 2gri h TRP 83 Ca -0.15 0.02 -0.14 0.00 2.06 0.00 0.00 58.89 60.68 2gri h TRP 83 Cb 1.61 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 29.48 2gri h TRP 83 CO 0.00 0.41 -0.66 0.66 -3.56 0.00 0.00 178.44 175.29 2gri h SER 84 N 0.80 0.00 -0.80 -3.49 4.64 -1.79 -3.23 113.55 109.68 2gri h SER 84 Ca 0.36 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.12 2gri h SER 84 Cb 0.36 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.10 2gri h SER 84 CO -0.14 0.66 -0.18 1.33 -0.87 0.00 0.00 176.83 177.63 2gri n VAL 85 N -3.55 2.91 -4.38 0.95 0.24 -0.21 -5.01 118.33 109.28 2gri n VAL 85 Ca -0.00 -3.65 -0.30 0.00 -2.04 0.00 0.00 64.34 58.34 2gri n VAL 85 Cb 0.70 -1.08 -0.04 0.00 -1.47 0.00 0.00 33.84 31.95 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 -0.82 0.62 -3.49 2.33 0.00 0.25 -4.95 120.51 114.44 2gri n ALA 86 Ca 0.50 -2.27 -0.42 0.00 0.00 0.00 0.00 53.44 51.24 2gri n ALA 86 Cb 0.87 1.11 -0.07 0.00 0.00 0.00 0.00 19.45 21.37 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 -2.80 4.60 0.14 0.00 2.01 -1.26 -5.05 115.64 113.28 2gri s THR 87 Ca 0.14 -2.07 -0.16 0.00 0.31 0.00 0.00 61.69 59.91 2gri s THR 87 Cb -0.01 -3.96 -0.07 0.00 0.01 0.00 0.00 72.50 68.46 2gri s THR 87 CO 0.09 -0.86 0.58 -0.36 -0.69 0.00 0.00 174.62 173.37 2gri s PHE 88 N 0.93 3.66 0.31 4.92 0.40 -1.26 -4.49 117.98 122.45 2gri s PHE 88 Ca 0.10 1.16 0.03 0.00 -0.60 0.00 0.00 56.93 57.61 2gri s PHE 88 Cb -0.23 -2.43 -0.06 0.00 0.51 0.00 0.00 43.02 40.81 2gri s PHE 88 CO -0.02 0.45 0.07 0.71 0.70 0.00 0.00 175.22 177.13 2gri s TYR 89 N -1.39 1.88 0.19 0.36 2.02 0.86 -4.99 117.35 116.28 2gri s TYR 89 Ca 0.36 -1.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.05 2gri s TYR 89 Cb -0.16 -1.20 -0.04 0.00 -0.40 0.00 0.00 41.96 40.15 2gri s TYR 89 CO 0.19 -0.07 0.08 -0.51 -1.57 0.00 0.00 175.55 173.67 2gri s LEU 90 N -3.46 1.58 0.00 -1.29 1.02 -1.26 -1.42 118.68 113.85 2gri s LEU 90 Ca 0.36 -1.31 -0.15 0.00 0.02 0.00 0.00 54.13 53.05 2gri s LEU 90 Cb 0.08 0.20 0.06 0.00 0.02 0.00 0.00 46.19 46.55 2gri s LEU 90 CO 0.15 -0.74 0.76 0.49 0.02 0.00 0.00 176.35 177.03 2gri n PHE 91 N -0.27 -1.71 -4.19 0.29 3.72 0.10 -4.39 117.46 111.02 2gri n PHE 91 Ca -0.02 -1.32 -0.17 0.00 -0.05 0.00 0.00 57.45 55.90 2gri n PHE 91 Cb 0.65 0.65 -0.06 0.00 -0.94 0.00 0.00 39.48 39.78 2gri n PHE 91 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2gri n ASP 92 N -1.32 -0.84 0.03 4.37 9.92 0.86 -0.07 116.55 129.51 2gri n ASP 92 Ca -0.05 -2.94 0.08 0.00 -0.53 0.00 0.00 54.79 51.35 2gri n ASP 92 Cb 0.49 1.80 0.34 0.00 -0.64 0.00 0.00 41.12 43.11 2gri n ASP 92 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2gri n ASP 93 N -1.75 0.17 -1.15 -2.24 9.92 -1.26 -1.62 116.55 118.62 2gri n ASP 93 Ca 0.05 0.54 0.12 0.00 -0.53 0.00 0.00 54.79 54.97 2gri n ASP 93 Cb 0.55 -0.58 0.22 0.00 -0.64 0.00 0.00 41.12 40.67 2gri n ASP 93 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2gri n ALA 94 N -1.57 2.41 -2.27 2.24 0.00 -1.26 -4.95 120.51 115.11 2gri n ALA 94 Ca 0.03 -1.01 -0.08 0.00 0.00 0.00 0.00 53.44 52.38 2gri n ALA 94 Cb 0.17 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 1.48 0.11 3.24 0.00 0.00 -0.64 -5.04 105.19 104.34 2gri n GLY 95 Ca 0.19 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.57 1.03 -1.26 1.61 -1.05 -1.26 -4.85 118.70 108.35 2gri s GLU 96 Ca 0.04 -1.26 -0.09 0.00 -0.15 0.00 0.00 54.97 53.50 2gri s GLU 96 Cb -0.02 -0.88 0.18 0.00 -0.44 0.00 0.00 34.13 32.98 2gri s GLU 96 CO 0.04 0.16 1.82 -1.91 0.95 0.00 0.00 175.26 176.33 2gri n GLU 97 N 0.45 3.70 -3.27 -4.83 2.13 -1.26 -0.10 120.64 117.46 2gri n GLU 97 Ca -0.15 -3.64 -0.18 0.00 0.66 0.00 0.00 57.16 53.85 2gri n GLU 97 Cb 0.57 -2.89 -0.02 0.00 0.27 0.00 0.00 31.44 29.38 2gri n GLU 97 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2gri n ASN 98 N 3.67 2.44 -2.91 4.31 5.03 -1.26 -4.90 115.26 121.63 2gri n ASN 98 Ca 0.38 -2.28 -0.27 0.00 0.87 0.00 0.00 54.58 53.29 2gri n ASN 98 Cb 0.36 0.08 -0.04 0.00 -1.02 0.00 0.00 39.78 39.17 2gri n ASN 98 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 2gri n PHE 99 N -1.08 4.00 -0.90 3.10 -1.74 -1.26 -4.73 117.46 114.84 2gri n PHE 99 Ca -0.07 -3.94 0.00 0.00 -0.56 0.00 0.00 57.45 52.89 2gri n PHE 99 Cb 0.40 -0.46 0.00 0.00 1.52 0.00 0.00 39.48 40.94 2gri n PHE 99 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2gri n SER 100 N -0.26 -0.03 -0.10 5.98 2.88 -1.26 -4.89 113.62 115.95 2gri n SER 100 Ca 0.32 -0.90 0.25 0.00 -1.33 0.00 0.00 58.87 57.20 2gri n SER 100 Cb 0.41 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.59 2gri n SER 100 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2gri h SER 101 N -0.03 0.00 -3.50 -3.46 0.02 -1.97 -3.40 113.55 101.21 2gri h SER 101 Ca 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 2gri h SER 101 Cb 0.00 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 62.27 2gri h SER 101 CO 0.00 0.00 -0.39 -0.60 -1.14 0.00 0.00 176.83 174.70 2gri s ARG 102 N -4.91 0.31 -0.03 3.45 3.52 -1.26 -2.85 118.95 117.17 2gri s ARG 102 Ca -0.05 0.56 0.01 0.00 -0.13 0.00 0.00 55.73 56.12 2gri s ARG 102 Cb 0.20 0.01 0.02 0.00 -1.56 0.00 0.00 34.95 33.62 2gri s ARG 102 CO 0.72 -0.12 -0.03 0.00 -0.81 0.00 0.00 175.30 175.06 2gri s MET 103 N 0.90 0.55 0.07 5.12 0.23 -1.12 -4.48 119.30 120.58 2gri s MET 103 Ca -0.06 -0.05 -0.30 0.00 -1.03 0.00 0.00 55.69 54.25 2gri s MET 103 Cb -0.07 -0.62 -0.05 0.00 -1.53 0.00 0.00 34.83 32.56 2gri s MET 103 CO -0.06 -0.07 0.97 0.71 -2.03 0.00 0.00 175.02 174.54 2gri s TYR 104 N 0.77 3.75 -0.48 3.16 2.02 0.90 -4.10 117.35 123.37 2gri s TYR 104 Ca -0.09 1.75 -0.14 0.00 -0.37 0.00 0.00 57.07 58.22 2gri s TYR 104 Cb -0.12 -3.09 0.09 0.00 -0.40 0.00 0.00 41.96 38.44 2gri s TYR 104 CO -0.01 0.09 0.40 0.00 -1.57 0.00 0.00 175.55 174.47 2gri s SER 106 N 2.81 5.11 0.00 0.00 1.04 -0.51 -4.16 113.70 118.00 2gri s SER 106 Ca 0.04 -0.71 0.15 0.00 0.48 0.00 0.00 55.95 55.90 2gri s SER 106 Cb -0.26 -0.59 0.13 0.00 0.10 0.00 0.00 66.02 65.41 2gri s SER 106 CO 0.04 -0.66 0.99 2.22 0.98 0.00 0.00 173.24 176.81 2gri n PHE 107 N -1.57 0.04 -4.27 5.02 1.16 -1.26 -0.09 117.46 116.48 2gri n PHE 107 Ca 0.04 -0.03 -0.26 0.00 -1.87 0.00 0.00 57.45 55.33 2gri n PHE 107 Cb 0.61 -0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.40 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 -1.21 2.70 0.96 2.97 1.13 -1.26 -4.70 117.35 117.94 2gri s TYR 108 Ca 0.18 -0.20 -0.12 0.00 -1.41 0.00 0.00 57.07 55.52 2gri s TYR 108 Cb 0.12 -1.30 0.16 0.00 -1.10 0.00 0.00 41.96 39.85 2gri s TYR 108 CO 0.19 0.53 1.09 -1.25 -2.51 0.00 0.00 175.55 173.60 2gri s PRO 109 N -2.97 0.78 0.02 -3.49 0.04 -1.26 -4.59 135.00 123.53 2gri s PRO 109 Ca 0.26 0.65 -0.22 0.00 0.04 0.00 0.00 61.00 61.73 2gri s PRO 109 Cb -0.09 -1.77 -0.16 0.00 0.04 0.00 0.00 34.50 32.53 2gri s PRO 109 CO 0.17 -2.52 1.32 -1.00 0.04 0.00 0.00 177.00 175.01 2gri h PRO 110 N -1.75 0.25 0.00 0.56 0.13 -2.00 -3.47 132.00 125.72 2gri h PRO 110 Ca -0.52 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 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 0.67 0.00 -0.25 -0.23 0.00 0.00 178.00 178.75 2gri n ASP 111 N -4.64 0.00 0.00 1.44 8.00 -1.26 -5.21 116.55 114.88 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 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 2gri n ASP 111 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02