#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 1.43 -3.04 0.00 -0.04 -1.26 -4.92 135.00 127.17 2gri n PRO 2 Ca 0.00 -1.95 -0.36 0.00 -0.04 0.00 0.00 63.50 61.15 2gri n PRO 2 Cb 0.00 -3.10 -0.06 0.00 -0.04 0.00 0.00 33.50 30.30 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 6.67 4.51 0.49 0.52 1.01 -1.26 -4.75 121.20 128.37 2gri s ILE 3 Ca 0.61 1.37 -0.22 0.00 0.00 0.00 0.00 60.65 62.40 2gri s ILE 3 Cb 0.11 -3.86 -0.08 0.00 0.01 0.00 0.00 42.46 38.63 2gri s ILE 3 CO 0.14 0.16 1.04 2.29 0.00 0.00 0.00 174.94 178.56 2gri n LYS 4 N 0.59 1.29 0.00 2.79 0.00 -1.18 -4.43 118.16 117.22 2gri n LYS 4 Ca -0.01 0.47 0.00 0.00 -0.00 0.00 0.00 58.31 58.77 2gri n LYS 4 Cb 0.51 -2.15 0.00 0.00 -0.00 0.00 0.00 35.03 33.39 2gri n LYS 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2gri n GLY 5 N 1.16 0.53 0.82 2.58 0.00 -1.26 -1.66 105.19 107.36 2gri n GLY 5 Ca 0.10 0.78 -0.01 0.00 0.00 0.00 0.00 46.02 46.90 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 0.00 0.00 -1.66 1.61 0.31 -1.26 -5.13 118.33 112.20 2gri n VAL 6 Ca 0.00 -0.22 -0.32 0.00 -0.01 0.00 0.00 64.34 63.79 2gri n VAL 6 Cb 0.00 0.47 0.05 0.00 -0.91 0.00 0.00 33.84 33.45 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 3.69 -0.28 2.52 2.01 -0.66 -5.07 115.64 117.84 2gri s THR 7 Ca 0.07 0.65 -0.19 0.00 0.31 0.00 0.00 61.69 62.54 2gri s THR 7 Cb 0.08 -3.24 0.10 0.00 0.01 0.00 0.00 72.50 69.45 2gri s THR 7 CO -0.04 -0.62 0.79 0.72 -0.69 0.00 0.00 174.62 174.78 2gri s PHE 8 N -2.74 -0.85 -0.47 4.92 -0.71 -1.26 -4.75 117.98 112.12 2gri s PHE 8 Ca 0.62 1.80 -0.02 0.00 -1.04 0.00 0.00 56.93 58.28 2gri s PHE 8 Cb -0.16 0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 42.10 2gri s PHE 8 CO 0.48 -0.42 0.42 0.41 -1.34 0.00 0.00 175.22 174.77 2gri n GLY 9 N 3.64 -0.21 0.27 1.99 0.00 -1.26 -5.01 105.19 104.61 2gri n GLY 9 Ca -0.18 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.13 0.48 0.06 1.61 -0.58 -1.26 -5.06 120.64 113.77 2gri n GLU 10 Ca -0.03 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 2gri n GLU 10 Cb 0.55 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 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 -3.81 -1.02 -3.69 1.62 -0.08 -1.26 -5.15 116.55 103.15 2gri n ASP 11 Ca -0.43 0.32 -0.03 0.00 -1.51 0.00 0.00 54.79 53.15 2gri n ASP 11 Cb 0.83 1.19 -0.01 0.00 2.34 0.00 0.00 41.12 45.47 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 -1.44 0.00 0.56 5.18 -1.32 -1.26 -5.12 115.64 112.25 2gri s THR 12 Ca 0.00 -0.60 -0.06 0.00 -1.21 0.00 0.00 61.69 59.81 2gri s THR 12 Cb 0.00 -2.11 -0.01 0.00 -1.51 0.00 0.00 72.50 68.87 2gri s THR 12 CO 0.00 0.00 0.88 -0.69 -2.21 0.00 0.00 174.62 172.60 2gri s VAL 13 N -3.04 4.07 -1.62 5.08 1.01 -1.26 -3.24 120.40 121.40 2gri s VAL 13 Ca 0.14 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.24 2gri s VAL 13 Cb -0.01 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2gri s VAL 13 CO 0.02 -0.62 0.00 0.79 0.00 0.00 0.00 175.10 175.29 2gri n TRP 14 N -2.51 0.00 0.00 5.22 7.02 -1.26 -4.64 117.44 121.27 2gri n TRP 14 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 2gri n TRP 14 Cb 0.57 -2.96 0.00 0.00 -2.42 0.00 0.00 31.31 26.49 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 -1.79 0.01 0.00 -0.99 1.02 -1.25 -4.95 120.64 112.68 2gri n GLU 15 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 2gri n GLU 15 Cb 0.60 -0.54 0.00 0.00 -0.02 0.00 0.00 31.44 31.47 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 -1.57 0.00 -0.33 2.62 3.14 -1.20 -4.75 118.33 116.25 2gri n VAL 16 Ca 0.00 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.50 2gri n VAL 16 Cb 0.04 -0.76 0.31 0.00 -1.06 0.00 0.00 33.84 32.37 2gri n VAL 16 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 2gri h GLN 17 N 0.00 0.61 -0.44 1.45 4.15 -1.90 -3.45 115.11 115.53 2gri h GLN 17 Ca 0.00 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 2gri h GLN 17 Cb 0.79 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.34 2gri h GLN 17 CO 0.00 0.41 -0.04 0.41 -1.93 0.00 0.00 178.83 177.68 2gri n GLY 18 N -1.33 0.42 3.27 2.39 0.00 -1.26 -3.13 105.19 105.55 2gri n GLY 18 Ca 0.22 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.26 -0.10 0.22 1.61 2.02 -1.26 -3.45 117.35 114.13 2gri s TYR 19 Ca 0.01 -0.16 0.03 0.00 -0.37 0.00 0.00 57.07 56.58 2gri s TYR 19 Cb -0.00 0.14 -0.05 0.00 -0.40 0.00 0.00 41.96 41.64 2gri s TYR 19 CO 0.01 -0.60 0.02 0.15 -1.57 0.00 0.00 175.55 173.57 2gri s LYS 20 N -3.33 1.30 -0.24 -0.62 3.01 0.85 -4.44 119.74 116.27 2gri s LYS 20 Ca 0.00 -1.66 0.00 0.00 -1.01 0.00 0.00 55.97 53.30 2gri s LYS 20 Cb 0.02 -0.44 0.07 0.00 -1.01 0.00 0.00 37.83 36.46 2gri s LYS 20 CO -0.08 -0.15 -0.02 -0.80 0.51 0.00 0.00 175.35 174.80 2gri s ASN 21 N -3.27 3.76 0.03 2.83 0.01 -1.26 -0.67 114.94 116.37 2gri s ASN 21 Ca 0.29 -1.22 0.03 0.00 -0.71 0.00 0.00 52.86 51.25 2gri s ASN 21 Cb 0.06 -1.08 -0.04 0.00 0.41 0.00 0.00 41.25 40.61 2gri s ASN 21 CO 0.09 -0.27 0.00 0.54 -1.51 0.00 0.00 177.10 175.95 2gri s VAL 22 N 1.47 4.13 0.24 1.60 0.11 -0.26 -4.92 120.40 122.76 2gri s VAL 22 Ca -0.03 -0.73 0.05 0.00 -2.93 0.00 0.00 61.98 58.34 2gri s VAL 22 Cb -0.18 -2.89 -0.05 0.00 -1.53 0.00 0.00 36.38 31.72 2gri s VAL 22 CO -0.08 0.28 -0.05 -0.60 -3.33 0.00 0.00 175.10 171.32 2gri s ARG 23 N -1.84 1.41 0.06 1.54 3.52 -1.26 -1.50 118.95 120.88 2gri s ARG 23 Ca 0.22 -1.70 0.07 0.00 -0.13 0.00 0.00 55.73 54.20 2gri s ARG 23 Cb -0.12 -0.92 -0.03 0.00 -1.56 0.00 0.00 34.95 32.33 2gri s ARG 23 CO 0.13 0.01 -0.20 0.96 -0.81 0.00 0.00 175.30 175.39 2gri s ILE 24 N -3.18 1.65 -0.13 4.11 -0.00 -1.22 -1.56 121.20 120.87 2gri s ILE 24 Ca 0.27 -1.30 0.11 0.00 -0.00 0.00 0.00 60.65 59.73 2gri s ILE 24 Cb 0.04 -1.46 0.26 0.00 -0.00 0.00 0.00 42.46 41.29 2gri s ILE 24 CO 0.09 0.11 1.20 0.41 -0.00 0.00 0.00 174.94 176.75 2gri n THR 25 N 1.60 0.15 0.00 8.37 -1.04 -1.20 -4.80 114.28 117.36 2gri n THR 25 Ca -0.18 -0.82 0.00 0.00 -2.04 0.00 0.00 64.05 61.01 2gri n THR 25 Cb 0.53 0.83 0.00 0.00 -1.82 0.00 0.00 70.33 69.87 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 -0.44 0.00 0.00 -1.42 7.35 -1.26 -4.95 117.46 116.74 2gri n PHE 26 Ca -0.15 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.54 2gri n PHE 26 Cb 0.84 -0.13 0.00 0.00 0.35 0.00 0.00 39.48 40.55 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 -1.88 0.00 0.04 -4.13 1.02 -1.21 -4.95 120.64 109.54 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 -0.67 0.00 -4.62 7.94 -1.26 -4.65 117.00 113.74 2gri n LEU 28 Ca 0.00 0.26 -0.21 0.00 -1.11 0.00 0.00 56.01 54.95 2gri n LEU 28 Cb 0.00 0.86 -0.05 0.00 0.53 0.00 0.00 43.42 44.76 2gri n LEU 28 CO 0.00 -0.07 -0.14 -0.67 -1.11 0.00 0.00 177.39 175.40 2gri n ASP 29 N -2.57 1.69 -0.01 1.96 -0.08 -1.26 -5.02 116.55 111.25 2gri n ASP 29 Ca 0.00 -2.67 -0.01 0.00 -1.51 0.00 0.00 54.79 50.60 2gri n ASP 29 Cb 0.00 0.65 -0.01 0.00 2.34 0.00 0.00 41.12 44.10 2gri n ASP 29 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2gri n GLU 30 N -0.77 1.98 -0.03 -0.67 1.02 -1.26 -4.29 120.64 116.61 2gri n GLU 30 Ca -0.08 0.01 0.04 0.00 -0.02 0.00 0.00 57.16 57.10 2gri n GLU 30 Cb 0.47 -1.04 -0.15 0.00 -0.02 0.00 0.00 31.44 30.71 2gri n GLU 30 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2gri n ARG 31 N -2.30 0.75 -2.41 3.49 3.00 -1.26 -4.54 116.66 113.40 2gri n ARG 31 Ca -0.03 -0.12 -0.13 0.00 -0.01 0.00 0.00 57.85 57.56 2gri n ARG 31 Cb 0.55 -1.45 0.03 0.00 0.00 0.00 0.00 32.46 31.58 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 -2.33 1.93 0.01 1.55 0.24 -1.26 -4.86 118.33 113.62 2gri n VAL 32 Ca -0.12 -3.62 -0.13 0.00 -2.04 0.00 0.00 64.34 58.44 2gri n VAL 32 Cb 0.69 0.01 -0.09 0.00 -1.47 0.00 0.00 33.84 32.97 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 2.39 -0.07 0.22 -1.34 1.82 -1.80 -3.04 116.42 114.60 2gri h ASP 33 Ca 0.13 -0.48 0.00 0.00 -0.39 0.00 0.00 57.03 56.29 2gri h ASP 33 Cb 1.41 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.44 2gri h ASP 33 CO 0.49 0.47 0.00 0.07 -1.61 0.00 0.00 179.24 178.66 2gri h LYS 34 N -0.65 0.00 0.00 0.28 -0.00 -1.92 -1.75 116.57 112.54 2gri h LYS 34 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.64 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 0.01 0.00 0.00 0.28 -0.00 0.00 0.00 179.45 179.74 2gri h VAL 35 N 0.00 0.00 0.00 0.07 2.07 -1.89 0.40 116.25 116.90 2gri h VAL 35 Ca 0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2gri h VAL 35 Cb 0.11 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2gri h VAL 35 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2gri n LEU 36 N -2.47 0.77 -0.04 2.57 -0.00 -0.66 -3.39 117.00 113.78 2gri n LEU 36 Ca -0.00 -0.88 -0.01 0.00 -0.00 0.00 0.00 56.01 55.11 2gri n LEU 36 Cb 0.12 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.45 2gri n LEU 36 CO 0.16 0.19 -0.79 0.59 -0.00 0.00 0.00 177.39 177.54 2gri n ASN 37 N -0.23 2.21 0.00 1.45 5.03 -0.73 -2.63 115.26 120.36 2gri n ASN 37 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2gri n ASN 37 Cb 0.00 1.06 0.00 0.00 -1.02 0.00 0.00 39.78 39.82 2gri n ASN 37 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 2gri n GLU 38 N -2.24 2.94 0.12 3.52 2.13 0.13 -4.36 120.64 122.88 2gri n GLU 38 Ca -0.13 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.74 2gri n GLU 38 Cb 0.67 -0.98 0.02 0.00 0.27 0.00 0.00 31.44 31.42 2gri n GLU 38 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2gri h LYS 39 N 0.00 0.00 -0.14 5.31 3.64 -1.55 -3.44 116.57 120.38 2gri h LYS 39 Ca 0.00 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 2gri h LYS 39 Cb 0.96 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.62 2gri h LYS 39 CO 0.00 0.31 -0.09 0.00 -2.27 0.00 0.00 179.45 177.40 2gri n SER 41 N 3.22 3.24 -4.78 0.00 2.88 -1.08 -4.25 113.62 112.86 2gri n SER 41 Ca 0.07 -0.15 -0.38 0.00 -1.33 0.00 0.00 58.87 57.08 2gri n SER 41 Cb 0.64 1.08 -0.06 0.00 -0.75 0.00 0.00 64.21 65.13 2gri n SER 41 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2gri s VAL 42 N -1.91 4.24 -0.16 2.46 1.01 -1.26 -3.45 120.40 121.32 2gri s VAL 42 Ca -0.00 1.81 -0.12 0.00 0.00 0.00 0.00 61.98 63.67 2gri s VAL 42 Cb 0.02 -4.10 0.05 0.00 0.00 0.00 0.00 36.38 32.34 2gri s VAL 42 CO 0.10 0.31 0.40 -0.31 0.00 0.00 0.00 175.10 175.61 2gri s TYR 43 N -1.41 -0.51 0.45 5.22 1.51 -0.56 -5.01 117.35 117.04 2gri s TYR 43 Ca 0.44 1.17 -0.19 0.00 -1.01 0.00 0.00 57.07 57.48 2gri s TYR 43 Cb -0.21 0.20 -0.10 0.00 -0.11 0.00 0.00 41.96 41.74 2gri s TYR 43 CO 0.26 -0.27 0.94 0.99 -1.11 0.00 0.00 175.55 176.37 2gri s THR 44 N 0.75 4.46 -0.24 -0.71 2.01 -1.26 -1.11 115.64 119.54 2gri s THR 44 Ca -0.04 1.35 -0.03 0.00 0.31 0.00 0.00 61.69 63.28 2gri s THR 44 Cb -0.05 -3.64 0.13 0.00 0.01 0.00 0.00 72.50 68.95 2gri s THR 44 CO -0.05 -0.43 0.39 0.54 -0.69 0.00 0.00 174.62 174.37 2gri s VAL 45 N -2.31 -0.62 1.26 3.82 0.11 0.15 -4.90 120.40 117.91 2gri s VAL 45 Ca 0.60 -0.04 -0.19 0.00 -2.93 0.00 0.00 61.98 59.42 2gri s VAL 45 Cb -0.09 -0.80 0.28 0.00 -1.53 0.00 0.00 36.38 34.23 2gri s VAL 45 CO 0.19 -0.10 0.63 1.21 -3.33 0.00 0.00 175.10 173.71 2gri n GLU 46 N 5.37 -3.39 0.20 1.54 0.00 -1.26 -0.10 120.64 123.00 2gri n GLU 46 Ca -0.04 -1.00 0.11 0.00 0.00 0.00 0.00 57.16 56.24 2gri n GLU 46 Cb 0.50 -1.80 0.14 0.00 0.00 0.00 0.00 31.44 30.29 2gri n GLU 46 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2gri h SER 47 N -3.05 0.00 -2.50 4.31 0.87 -1.92 -3.38 113.55 107.88 2gri h SER 47 Ca -0.41 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 59.51 2gri h SER 47 Cb 1.17 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 62.73 2gri h SER 47 CO 0.27 0.03 -0.35 0.61 -0.53 0.00 0.00 176.83 176.86 2gri n GLY 48 N 1.12 4.72 3.28 5.77 0.00 -1.26 -5.04 105.19 113.77 2gri n GLY 48 Ca 0.03 -2.73 -0.15 0.00 0.00 0.00 0.00 46.02 43.18 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 -2.31 0.44 0.22 2.61 2.01 -1.26 -5.17 115.64 112.17 2gri s THR 49 Ca 0.36 -2.00 0.10 0.00 0.31 0.00 0.00 61.69 60.46 2gri s THR 49 Cb 0.09 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 2gri s THR 49 CO -0.02 -0.07 -0.14 -1.61 -0.69 0.00 0.00 174.62 172.09 2gri s GLU 50 N -4.05 1.89 0.41 4.92 0.41 -1.26 -5.00 118.70 116.02 2gri s GLU 50 Ca 0.36 -1.45 0.28 0.00 -0.41 0.00 0.00 54.97 53.75 2gri s GLU 50 Cb 0.07 -2.01 1.44 0.00 -1.78 0.00 0.00 34.13 31.86 2gri s GLU 50 CO 0.12 0.39 1.86 0.28 -0.49 0.00 0.00 175.26 177.42 2gri h VAL 51 N 2.62 0.00 0.00 2.63 2.07 -1.96 -0.95 116.25 120.67 2gri h VAL 51 Ca -0.45 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 66.88 2gri h VAL 51 Cb 1.22 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2gri h VAL 51 CO 0.55 0.00 -1.34 1.07 0.02 0.00 0.00 177.57 177.87 2gri n THR 52 N -2.51 0.92 0.15 2.57 5.66 -1.26 -4.00 114.28 115.81 2gri n THR 52 Ca -0.01 -0.63 0.01 0.00 -3.05 0.00 0.00 64.05 60.37 2gri n THR 52 Cb 0.10 -0.54 0.32 0.00 -1.55 0.00 0.00 70.33 68.66 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 0.11 0.00 1.09 4.57 -1.57 -2.31 114.58 116.48 2gri h GLU 53 Ca -0.11 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2gri h GLU 53 Cb 1.36 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 2gri h GLU 53 CO 0.03 0.45 0.00 0.74 -1.18 0.00 0.00 179.01 179.05 2gri h PHE 54 N 0.10 0.00 0.00 0.92 0.04 -1.68 -3.02 116.94 113.30 2gri h PHE 54 Ca 0.01 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 2gri h PHE 54 Cb 0.67 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.82 2gri h PHE 54 CO 0.01 0.00 -0.01 0.00 -0.60 0.00 0.00 178.31 177.70 2gri h ALA 55 N 2.11 1.00 -0.41 2.45 0.00 -1.56 -0.40 119.26 122.45 2gri h ALA 55 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2gri h ALA 55 Cb 0.78 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2gri h ALA 55 CO 0.00 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.26 2gri n VAL 57 N 0.85 0.00 0.33 0.00 0.31 -1.01 -4.65 118.33 114.16 2gri n VAL 57 Ca 0.15 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.59 2gri n VAL 57 Cb 0.47 -0.91 0.01 0.00 -0.91 0.00 0.00 33.84 32.50 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 -2.08 0.34 0.24 2.52 0.31 -0.19 -3.42 118.33 116.05 2gri n VAL 58 Ca 0.00 -0.39 0.13 0.00 -0.01 0.00 0.00 64.34 64.07 2gri n VAL 58 Cb 0.50 -0.06 0.26 0.00 -0.91 0.00 0.00 33.84 33.63 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 2.27 1.00 0.00 3.52 0.00 -1.75 -3.11 119.26 121.19 2gri h ALA 59 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2gri h ALA 59 Cb 0.86 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 2gri h ALA 59 CO 0.00 0.00 -2.08 -0.85 0.00 0.00 0.00 179.25 176.32 2gri n GLU 60 N -3.06 0.67 -0.00 0.00 0.28 -1.25 -3.92 120.64 113.35 2gri n GLU 60 Ca 0.03 0.04 0.15 0.00 -0.16 0.00 0.00 57.16 57.23 2gri n GLU 60 Cb 0.49 -1.60 0.83 0.00 1.43 0.00 0.00 31.44 32.58 2gri n GLU 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2gri n ALA 61 N -2.59 2.66 -0.10 -1.84 0.00 -1.22 -3.54 120.51 113.88 2gri n ALA 61 Ca -0.23 -0.25 -0.12 0.00 0.00 0.00 0.00 53.44 52.84 2gri n ALA 61 Cb 1.00 -1.42 -0.11 0.00 0.00 0.00 0.00 19.45 18.92 2gri n ALA 61 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2gri n VAL 62 N -0.71 1.20 0.22 0.00 0.24 -1.18 -4.15 118.33 113.94 2gri n VAL 62 Ca 0.22 -0.58 -0.10 0.00 -2.04 0.00 0.00 64.34 61.84 2gri n VAL 62 Cb 0.16 -0.94 -0.05 0.00 -1.47 0.00 0.00 33.84 31.54 2gri n VAL 62 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 2gri h VAL 63 N 0.00 0.00 -0.89 3.34 2.07 -1.68 0.30 116.25 119.39 2gri h VAL 63 Ca -0.47 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.20 2gri h VAL 63 Cb 1.88 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.58 2gri h VAL 63 CO -0.03 0.00 0.57 0.07 0.02 0.00 0.00 177.57 178.20 2gri h LYS 64 N -0.60 0.64 0.00 1.57 2.10 -1.83 0.27 116.57 118.71 2gri h LYS 64 Ca -0.05 -0.04 -0.05 0.00 -2.00 0.00 0.00 60.65 58.51 2gri h LYS 64 Cb 0.48 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 2gri h LYS 64 CO 0.05 0.42 -0.23 1.15 -2.00 0.00 0.00 179.45 178.85 2gri h THR 65 N 0.66 0.57 -2.28 0.07 2.02 -1.66 -3.28 112.91 109.00 2gri h THR 65 Ca 0.45 -1.14 -0.60 0.00 0.77 0.00 0.00 66.41 65.89 2gri h THR 65 Cb 0.76 1.77 -0.41 0.00 -1.74 0.00 0.00 68.15 68.53 2gri h THR 65 CO -0.20 0.23 -0.58 0.18 0.37 0.00 0.00 175.52 175.52 2gri n LEU 66 N -3.40 4.52 -1.83 2.58 4.32 0.10 -4.78 117.00 118.52 2gri n LEU 66 Ca 0.00 -5.65 -0.09 0.00 -0.02 0.00 0.00 56.01 50.25 2gri n LEU 66 Cb 0.43 -0.59 0.07 0.00 -1.62 0.00 0.00 43.42 41.71 2gri n LEU 66 CO 0.33 2.31 0.16 0.00 -1.22 0.00 0.00 177.39 178.98 2gri n GLN 67 N -0.11 2.33 -0.02 3.23 1.13 -1.08 -4.84 117.38 118.02 2gri n GLN 67 Ca 0.31 -3.58 -0.13 0.00 -1.94 0.00 0.00 57.00 51.66 2gri n GLN 67 Cb 0.39 -1.72 -0.09 0.00 0.11 0.00 0.00 30.24 28.92 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 1.88 0.05 -0.53 -1.09 0.13 -1.89 -3.42 132.00 127.13 2gri h PRO 68 Ca 0.10 -0.03 -0.31 0.00 -0.87 0.00 0.00 66.00 64.90 2gri h PRO 68 Cb 1.40 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.32 2gri h PRO 68 CO 0.39 0.53 -0.65 1.33 -0.23 0.00 0.00 178.00 179.36 2gri n VAL 69 N -4.81 -0.13 0.07 1.56 0.24 -1.26 -4.97 118.33 109.03 2gri n VAL 69 Ca -0.08 -2.24 0.20 0.00 -2.04 0.00 0.00 64.34 60.18 2gri n VAL 69 Cb 0.27 0.77 0.74 0.00 -1.47 0.00 0.00 33.84 34.15 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 3.58 0.00 -0.16 -1.34 4.64 -1.88 0.13 113.55 118.51 2gri h SER 70 Ca -0.07 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.29 2gri h SER 70 Cb 1.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 2gri h SER 70 CO 0.31 0.00 0.24 0.44 -0.87 0.00 0.00 176.83 176.94 2gri h ASP 71 N 0.00 0.00 0.02 4.97 3.32 -1.97 -1.11 116.42 121.65 2gri h ASP 71 Ca 0.21 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.97 2gri h ASP 71 Cb 0.99 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.50 2gri h ASP 71 CO -0.00 0.00 -1.57 0.18 -1.72 0.00 0.00 179.24 176.13 2gri n LEU 72 N -3.52 2.00 -0.25 1.55 4.77 0.43 -4.21 117.00 117.77 2gri n LEU 72 Ca 0.01 0.37 0.04 0.00 -0.03 0.00 0.00 56.01 56.40 2gri n LEU 72 Cb 0.35 -0.97 0.17 0.00 -2.33 0.00 0.00 43.42 40.64 2gri n LEU 72 CO 0.24 0.41 1.03 -0.07 -1.33 0.00 0.00 177.39 177.66 2gri h LEU 73 N -0.83 0.31 -2.13 2.23 4.07 -1.39 0.28 115.31 117.86 2gri h LEU 73 Ca -0.42 0.10 0.08 0.00 0.08 0.00 0.00 57.88 57.72 2gri h LEU 73 Cb 1.46 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 43.26 2gri h LEU 73 CO -0.20 0.14 0.30 0.74 -1.08 0.00 0.00 178.44 178.34 2gri h THR 74 N 0.47 0.42 0.00 0.22 2.02 0.19 0.31 112.91 116.55 2gri h THR 74 Ca 0.40 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.58 2gri h THR 74 Cb 0.56 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2gri h THR 74 CO -0.37 0.00 -1.42 -0.46 0.37 0.00 0.00 175.52 173.64 2gri n ASN 75 N -3.75 0.47 -1.63 4.18 0.23 0.85 -4.04 115.26 111.57 2gri n ASN 75 Ca 0.04 0.11 -0.02 0.00 -0.53 0.00 0.00 54.58 54.17 2gri n ASN 75 Cb 0.44 1.14 0.24 0.00 -2.08 0.00 0.00 39.78 39.52 2gri n ASN 75 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 2gri n MET 76 N -2.40 3.19 -2.70 -3.83 2.81 0.75 -4.86 117.12 110.07 2gri n MET 76 Ca -0.01 -2.23 -0.10 0.00 -1.81 0.00 0.00 57.70 53.54 2gri n MET 76 Cb 0.54 -1.99 0.02 0.00 -0.71 0.00 0.00 33.22 31.09 2gri n MET 76 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2gri n GLY 77 N 0.08 0.19 2.71 3.03 0.00 -1.03 -5.00 105.19 105.17 2gri n GLY 77 Ca 0.27 -0.35 -0.21 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 -2.90 -0.21 -0.06 -0.61 1.01 0.63 -5.01 121.20 114.05 2gri s ILE 78 Ca 0.17 0.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.80 2gri s ILE 78 Cb -0.07 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 2gri s ILE 78 CO 0.21 -0.12 0.10 -0.62 0.00 0.00 0.00 174.94 174.51 2gri s ASP 79 N 2.24 5.92 -0.07 3.58 -1.08 -1.26 -1.00 116.67 125.00 2gri s ASP 79 Ca 0.04 0.28 0.10 0.00 -0.52 0.00 0.00 52.55 52.45 2gri s ASP 79 Cb -0.15 -1.80 -0.24 0.00 -1.46 0.00 0.00 42.92 39.28 2gri s ASP 79 CO -0.09 0.34 0.58 -0.11 0.52 0.00 0.00 175.17 176.40 2gri n LEU 80 N 1.60 1.13 0.29 -1.34 7.94 -1.26 -3.72 117.00 121.64 2gri n LEU 80 Ca -0.16 0.36 0.17 0.00 -1.11 0.00 0.00 56.01 55.26 2gri n LEU 80 Cb 0.54 -0.03 0.86 0.00 0.53 0.00 0.00 43.42 45.32 2gri n LEU 80 CO 0.35 0.47 1.05 0.44 -1.11 0.00 0.00 177.39 178.59 2gri h ASP 81 N 0.01 0.00 0.65 1.96 5.19 -2.02 -2.19 116.42 120.02 2gri h ASP 81 Ca -0.32 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 55.82 2gri h ASP 81 Cb 2.03 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 41.50 2gri h ASP 81 CO 0.08 0.06 -1.46 1.05 -3.12 0.00 0.00 179.24 175.84 2gri h GLU 82 N 0.00 0.03 -0.52 3.56 4.11 -1.93 -3.33 114.58 116.50 2gri h GLU 82 Ca -0.00 -0.06 0.09 0.00 0.07 0.00 0.00 59.36 59.46 2gri h GLU 82 Cb 0.26 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2gri h GLU 82 CO 0.01 0.75 0.36 -1.49 0.07 0.00 0.00 179.01 178.70 2gri h TRP 83 N 0.01 0.35 0.00 2.06 4.06 -1.47 0.32 115.95 121.28 2gri h TRP 83 Ca -0.19 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.77 2gri h TRP 83 Cb 1.93 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 29.98 2gri h TRP 83 CO 0.01 0.17 -0.02 0.66 -3.56 0.00 0.00 178.44 175.70 2gri h SER 84 N 0.33 0.00 -0.63 -3.49 4.64 -1.66 -3.30 113.55 109.45 2gri h SER 84 Ca 0.24 -0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 61.12 2gri h SER 84 Cb 0.51 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.19 2gri h SER 84 CO -0.06 0.00 -0.89 1.33 -0.87 0.00 0.00 176.83 176.34 2gri n VAL 85 N -2.99 2.15 -4.36 0.95 0.24 0.49 -5.00 118.33 109.80 2gri n VAL 85 Ca 0.04 -3.80 -0.26 0.00 -2.04 0.00 0.00 64.34 58.29 2gri n VAL 85 Cb 0.52 -0.43 -0.04 0.00 -1.47 0.00 0.00 33.84 32.42 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 -0.68 0.48 -3.91 2.33 0.00 0.83 -4.94 120.51 114.62 2gri n ALA 86 Ca 0.33 -1.90 -0.33 0.00 0.00 0.00 0.00 53.44 51.54 2gri n ALA 86 Cb 0.92 0.95 -0.14 0.00 0.00 0.00 0.00 19.45 21.18 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 -2.45 2.63 -0.57 0.00 2.01 -1.26 -5.01 115.64 110.99 2gri s THR 87 Ca 0.09 -2.04 -0.23 0.00 0.31 0.00 0.00 61.69 59.82 2gri s THR 87 Cb -0.01 -2.79 0.05 0.00 0.01 0.00 0.00 72.50 69.77 2gri s THR 87 CO 0.06 -0.47 0.89 -0.36 -0.69 0.00 0.00 174.62 174.04 2gri s PHE 88 N 1.04 2.81 -0.20 4.92 0.40 -1.26 -4.68 117.98 121.02 2gri s PHE 88 Ca 0.05 -0.23 -0.20 0.00 -0.60 0.00 0.00 56.93 55.95 2gri s PHE 88 Cb -0.20 -4.03 -0.03 0.00 0.51 0.00 0.00 43.02 39.27 2gri s PHE 88 CO -0.06 -1.36 0.59 0.71 0.70 0.00 0.00 175.22 175.80 2gri s TYR 89 N 3.73 3.37 -0.50 0.36 1.51 -0.97 -4.55 117.35 120.30 2gri s TYR 89 Ca 0.26 0.87 -0.16 0.00 -1.01 0.00 0.00 57.07 57.03 2gri s TYR 89 Cb -0.15 -2.75 0.09 0.00 -0.11 0.00 0.00 41.96 39.04 2gri s TYR 89 CO 0.16 -0.15 0.45 -0.51 -1.11 0.00 0.00 175.55 174.40 2gri s LEU 90 N 1.81 5.71 0.00 -1.29 2.01 -1.26 -0.61 118.68 125.05 2gri s LEU 90 Ca 0.27 -1.42 -0.03 0.00 0.01 0.00 0.00 54.13 52.96 2gri s LEU 90 Cb -0.16 -2.22 0.13 0.00 0.01 0.00 0.00 46.19 43.95 2gri s LEU 90 CO 0.10 -0.74 0.84 0.49 1.01 0.00 0.00 176.35 178.05 2gri n PHE 91 N 5.34 -3.25 -4.15 0.29 3.72 0.46 -3.89 117.46 115.98 2gri n PHE 91 Ca -0.12 -1.28 -0.08 0.00 -0.05 0.00 0.00 57.45 55.92 2gri n PHE 91 Cb 0.43 -0.63 -0.02 0.00 -0.94 0.00 0.00 39.48 38.32 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 -3.10 0.70 0.13 4.37 9.92 0.93 -0.01 116.55 129.50 2gri n ASP 92 Ca 0.13 -1.73 0.13 0.00 -0.53 0.00 0.00 54.79 52.79 2gri n ASP 92 Cb 0.46 0.40 0.38 0.00 -0.64 0.00 0.00 41.12 41.73 2gri n ASP 92 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 2gri h ASP 93 N 0.58 0.00 -0.02 -2.24 2.03 -1.88 -3.01 116.42 111.88 2gri h ASP 93 Ca -0.10 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.20 2gri h ASP 93 Cb 0.41 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.91 2gri h ASP 93 CO 0.15 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.36 2gri n ALA 94 N -1.85 2.52 -2.13 4.15 0.00 -1.26 -4.94 120.51 117.01 2gri n ALA 94 Ca 0.05 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2gri n ALA 94 Cb 0.42 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 1.26 0.65 3.39 0.00 0.00 -1.14 -5.07 105.19 104.28 2gri n GLY 95 Ca 0.17 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 45.22 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 -4.27 1.46 -0.99 1.61 -1.05 -1.26 -4.88 118.70 109.31 2gri s GLU 96 Ca 0.00 -1.74 -0.01 0.00 -0.15 0.00 0.00 54.97 53.07 2gri s GLU 96 Cb 0.00 -0.91 0.32 0.00 -0.44 0.00 0.00 34.13 33.10 2gri s GLU 96 CO 0.00 -0.03 1.70 -1.91 0.95 0.00 0.00 175.26 175.98 2gri n GLU 97 N -0.51 5.12 -3.11 -4.83 2.13 -1.26 -0.05 120.64 118.13 2gri n GLU 97 Ca -0.05 -4.68 -0.17 0.00 0.66 0.00 0.00 57.16 52.92 2gri n GLU 97 Cb 0.64 -2.45 -0.01 0.00 0.27 0.00 0.00 31.44 29.88 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 0.08 2.29 -3.23 4.31 3.02 -1.25 -4.84 115.26 115.64 2gri n ASN 98 Ca 0.43 -2.20 -0.31 0.00 -0.03 0.00 0.00 54.58 52.47 2gri n ASN 98 Cb 0.28 0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 2gri n ASN 98 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 2gri n PHE 99 N -1.13 3.62 -0.50 3.10 1.16 -1.26 -4.76 117.46 117.69 2gri n PHE 99 Ca -0.05 -3.64 0.00 0.00 -1.87 0.00 0.00 57.45 51.89 2gri n PHE 99 Cb 0.38 -0.70 0.00 0.00 -1.61 0.00 0.00 39.48 37.55 2gri n PHE 99 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2gri n SER 100 N 0.08 -0.16 -0.28 5.98 2.88 -1.26 -4.90 113.62 115.96 2gri n SER 100 Ca 0.34 -0.50 0.09 0.00 -1.33 0.00 0.00 58.87 57.47 2gri n SER 100 Cb 0.36 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.05 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 -0.16 -0.15 -2.27 -3.46 0.02 -1.96 -3.43 113.55 102.15 2gri h SER 101 Ca 0.00 0.19 -0.60 0.00 -0.84 0.00 0.00 61.79 60.55 2gri h SER 101 Cb 0.00 0.30 -0.13 0.00 0.14 0.00 0.00 62.40 62.71 2gri h SER 101 CO 0.00 -0.16 -0.51 0.00 -1.14 0.00 0.00 176.83 175.02 2gri s ARG 102 N -6.02 2.02 0.06 3.45 1.70 -1.26 -4.52 118.95 114.37 2gri s ARG 102 Ca -0.13 -2.25 -0.10 0.00 -0.47 0.00 0.00 55.73 52.78 2gri s ARG 102 Cb 0.24 -0.90 0.01 0.00 -0.57 0.00 0.00 34.95 33.73 2gri s ARG 102 CO 0.76 -0.44 0.22 -1.64 -1.08 0.00 0.00 175.30 173.12 2gri s MET 103 N -3.76 0.78 -0.18 3.89 -1.94 -0.60 -4.81 119.30 112.68 2gri s MET 103 Ca 0.18 -0.71 0.01 0.00 -1.71 0.00 0.00 55.69 53.46 2gri s MET 103 Cb 0.02 0.32 0.02 0.00 2.01 0.00 0.00 34.83 37.20 2gri s MET 103 CO 0.11 -0.24 -0.19 0.71 -0.01 0.00 0.00 175.02 175.39 2gri s TYR 104 N -3.01 2.78 -0.59 -0.03 2.02 0.98 -3.21 117.35 116.30 2gri s TYR 104 Ca -0.02 -1.59 -0.28 0.00 -0.37 0.00 0.00 57.07 54.81 2gri s TYR 104 Cb 0.01 -1.92 0.02 0.00 -0.40 0.00 0.00 41.96 39.67 2gri s TYR 104 CO -0.06 -0.78 1.35 0.00 -1.57 0.00 0.00 175.55 174.49 2gri s SER 106 N 4.05 4.62 0.33 0.00 0.01 0.22 -3.29 113.70 119.64 2gri s SER 106 Ca 0.48 -0.73 0.24 0.00 1.31 0.00 0.00 55.95 57.26 2gri s SER 106 Cb -0.10 -1.76 1.18 0.00 0.21 0.00 0.00 66.02 65.55 2gri s SER 106 CO 0.24 -0.13 1.74 2.19 0.41 0.00 0.00 173.24 177.69 2gri h PHE 107 N 8.11 0.00 -2.75 2.43 -5.15 -1.86 -2.58 116.94 115.15 2gri h PHE 107 Ca -0.34 0.00 -0.58 0.00 -0.20 0.00 0.00 57.97 56.85 2gri h PHE 107 Cb 1.12 0.00 -0.09 0.00 0.22 0.00 0.00 35.95 37.21 2gri h PHE 107 CO 0.59 0.00 -0.60 1.52 -2.00 0.00 0.00 178.31 177.82 2gri s TYR 108 N -3.49 3.01 0.96 6.09 1.13 -1.26 -4.84 117.35 118.94 2gri s TYR 108 Ca 0.00 -0.07 -0.12 0.00 -1.41 0.00 0.00 57.07 55.47 2gri s TYR 108 Cb 0.08 -1.45 0.16 0.00 -1.10 0.00 0.00 41.96 39.66 2gri s TYR 108 CO 0.31 0.52 1.09 -1.25 -2.51 0.00 0.00 175.55 173.71 2gri s PRO 109 N -3.07 0.77 -0.02 -3.49 0.04 -1.26 -4.63 135.00 123.34 2gri s PRO 109 Ca 0.30 0.65 -0.22 0.00 0.04 0.00 0.00 61.00 61.76 2gri s PRO 109 Cb -0.10 -1.77 -0.15 0.00 0.04 0.00 0.00 34.50 32.53 2gri s PRO 109 CO 0.21 -2.53 1.00 -1.00 0.04 0.00 0.00 177.00 174.73 2gri h PRO 110 N -1.75 -0.38 0.00 0.56 0.13 -1.98 -3.49 132.00 125.09 2gri h PRO 110 Ca -0.52 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2gri h PRO 110 Cb 1.31 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.53 2gri h PRO 110 CO 0.56 -0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 178.04 2gri n ASP 111 N -5.08 0.00 0.00 1.44 8.00 -1.26 -5.20 116.55 114.45 2gri n ASP 111 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 2gri n ASP 111 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 2gri n ASP 111 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02