#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 1.46 -3.00 0.00 -0.04 -1.26 -4.93 135.00 127.23 2gri n PRO 2 Ca 0.00 -2.01 -0.34 0.00 -0.04 0.00 0.00 63.50 61.11 2gri n PRO 2 Cb 0.00 -3.16 -0.06 0.00 -0.04 0.00 0.00 33.50 30.23 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 7.08 4.51 0.33 0.52 1.01 -1.26 -4.76 121.20 128.63 2gri s ILE 3 Ca 0.62 1.31 -0.27 0.00 0.00 0.00 0.00 60.65 62.31 2gri s ILE 3 Cb 0.10 -3.75 -0.09 0.00 0.01 0.00 0.00 42.46 38.72 2gri s ILE 3 CO 0.14 -0.04 1.03 -1.59 0.00 0.00 0.00 174.94 174.47 2gri s LYS 4 N -2.56 4.46 2.24 2.79 -2.85 -1.09 -4.59 119.74 118.14 2gri s LYS 4 Ca 0.52 1.55 0.00 0.00 -1.00 0.00 0.00 55.97 57.04 2gri s LYS 4 Cb -0.13 -2.85 0.00 0.00 -2.06 0.00 0.00 37.83 32.79 2gri s LYS 4 CO 0.19 0.12 0.00 0.41 0.10 0.00 0.00 175.35 176.16 2gri n GLY 5 N 0.74 0.62 0.64 0.59 0.00 -1.26 -2.65 105.19 103.88 2gri n GLY 5 Ca 0.02 0.55 -0.03 0.00 0.00 0.00 0.00 46.02 46.56 2gri n GLY 5 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2gri n VAL 6 N 0.00 0.00 -1.29 1.61 3.14 -1.26 -5.15 118.33 115.38 2gri n VAL 6 Ca 0.00 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.09 2gri n VAL 6 Cb 0.00 0.21 0.17 0.00 -1.06 0.00 0.00 33.84 33.16 2gri n VAL 6 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 2gri s THR 7 N 0.00 1.97 -0.29 1.55 2.01 -1.08 -5.08 115.64 114.71 2gri s THR 7 Ca 0.00 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.80 2gri s THR 7 Cb 0.00 -2.58 0.17 0.00 0.01 0.00 0.00 72.50 70.10 2gri s THR 7 CO 0.00 0.00 1.19 0.72 -0.69 0.00 0.00 174.62 175.84 2gri s PHE 8 N -3.09 -0.27 -0.89 4.92 -0.12 -1.26 -4.87 117.98 112.41 2gri s PHE 8 Ca 0.65 0.57 -0.06 0.00 -0.05 0.00 0.00 56.93 58.04 2gri s PHE 8 Cb -0.17 0.28 -0.01 0.00 -0.63 0.00 0.00 43.02 42.50 2gri s PHE 8 CO 0.56 -0.13 0.71 0.41 -0.05 0.00 0.00 175.22 176.72 2gri n GLY 9 N 2.75 -1.19 0.37 1.99 0.00 -1.26 -4.97 105.19 102.88 2gri n GLY 9 Ca -0.15 0.51 -0.06 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.77 0.37 0.10 1.61 -0.58 -1.26 -5.06 120.64 113.05 2gri n GLU 10 Ca -0.12 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2gri n GLU 10 Cb 0.59 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 30.31 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 -4.15 -1.28 -3.60 1.62 2.03 -1.26 -5.18 116.55 104.73 2gri n ASP 11 Ca -0.10 0.38 -0.02 0.00 0.52 0.00 0.00 54.79 55.58 2gri n ASP 11 Cb 0.36 1.37 0.00 0.00 -0.72 0.00 0.00 41.12 42.13 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 -1.50 0.00 0.54 5.18 -1.32 -1.26 -5.12 115.64 112.16 2gri s THR 12 Ca 0.00 -0.51 -0.06 0.00 -1.21 0.00 0.00 61.69 59.91 2gri s THR 12 Cb 0.00 -2.36 -0.01 0.00 -1.51 0.00 0.00 72.50 68.62 2gri s THR 12 CO 0.00 0.00 0.85 -0.69 -2.21 0.00 0.00 174.62 172.57 2gri s VAL 13 N -2.64 4.29 -1.52 5.08 1.01 -1.26 -3.30 120.40 122.06 2gri s VAL 13 Ca 0.17 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2gri s VAL 13 Cb -0.00 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2gri s VAL 13 CO 0.02 -0.68 0.00 0.79 0.00 0.00 0.00 175.10 175.23 2gri n TRP 14 N -2.43 0.00 0.00 5.22 7.02 -1.26 -4.65 117.44 121.34 2gri n TRP 14 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 2gri n TRP 14 Cb 0.56 -2.88 0.00 0.00 -2.42 0.00 0.00 31.31 26.58 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 -1.67 0.04 0.00 -0.99 -0.58 -1.25 -4.95 120.64 111.23 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 -0.58 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 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 -1.60 0.00 -0.32 2.62 3.14 -1.21 -4.74 118.33 116.22 2gri n VAL 16 Ca 0.00 0.00 0.16 0.00 -2.96 0.00 0.00 64.34 61.54 2gri n VAL 16 Cb 0.08 -0.68 0.40 0.00 -1.06 0.00 0.00 33.84 32.57 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 -1.10 1.45 4.15 -1.91 -3.45 115.11 114.86 2gri h GLN 17 Ca 0.00 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.31 2gri h GLN 17 Cb 0.76 -0.14 0.01 0.00 0.21 0.00 0.00 27.48 28.33 2gri h GLN 17 CO 0.00 0.40 -0.11 0.41 -1.93 0.00 0.00 178.83 177.61 2gri n GLY 18 N -1.40 0.42 3.43 2.39 0.00 -1.26 -2.65 105.19 106.12 2gri n GLY 18 Ca 0.23 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.56 -0.06 0.22 1.61 2.02 -1.26 -1.62 117.35 115.69 2gri s TYR 19 Ca 0.05 -0.28 0.03 0.00 -0.37 0.00 0.00 57.07 56.50 2gri s TYR 19 Cb -0.02 0.28 -0.01 0.00 -0.40 0.00 0.00 41.96 41.81 2gri s TYR 19 CO 0.06 -0.82 0.11 1.63 -1.57 0.00 0.00 175.55 174.95 2gri n LYS 20 N -0.29 0.56 -3.48 -0.62 4.01 -0.07 -4.35 118.16 113.93 2gri n LYS 20 Ca -0.11 -1.93 -0.19 0.00 -0.51 0.00 0.00 58.31 55.57 2gri n LYS 20 Cb 0.63 1.22 -0.12 0.00 -0.51 0.00 0.00 35.03 36.25 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 -2.38 1.59 0.16 4.39 0.01 -1.26 -3.72 114.94 113.73 2gri s ASN 21 Ca 0.15 -0.40 0.09 0.00 -0.71 0.00 0.00 52.86 51.99 2gri s ASN 21 Cb 0.01 0.35 -0.04 0.00 0.41 0.00 0.00 41.25 41.98 2gri s ASN 21 CO 0.11 -0.35 -0.15 0.54 -1.51 0.00 0.00 177.10 175.74 2gri s VAL 22 N 2.32 2.95 0.09 1.60 0.11 0.24 -4.60 120.40 123.10 2gri s VAL 22 Ca 0.08 -1.64 0.03 0.00 -2.93 0.00 0.00 61.98 57.51 2gri s VAL 22 Cb -0.15 -2.41 -0.04 0.00 -1.53 0.00 0.00 36.38 32.25 2gri s VAL 22 CO -0.18 -0.03 -0.08 -0.13 -3.33 0.00 0.00 175.10 171.35 2gri s ARG 23 N -2.53 0.80 -0.08 1.54 3.00 -1.25 -0.09 118.95 120.34 2gri s ARG 23 Ca 0.22 -1.19 0.03 0.00 0.00 0.00 0.00 55.73 54.79 2gri s ARG 23 Cb -0.09 -0.36 0.01 0.00 0.00 0.00 0.00 34.95 34.50 2gri s ARG 23 CO 0.12 0.03 -0.16 0.42 0.00 0.00 0.00 175.30 175.72 2gri s ILE 24 N -2.82 1.46 -0.48 1.52 -1.09 -0.64 -1.79 121.20 117.35 2gri s ILE 24 Ca 0.06 -0.67 0.06 0.00 -2.23 0.00 0.00 60.65 57.87 2gri s ILE 24 Cb -0.00 -1.30 0.24 0.00 -1.58 0.00 0.00 42.46 39.82 2gri s ILE 24 CO -0.02 0.43 0.90 0.41 -1.23 0.00 0.00 174.94 175.43 2gri n THR 25 N 3.70 0.00 0.00 2.92 -1.04 -1.24 -4.88 114.28 113.73 2gri n THR 25 Ca -0.21 -1.44 0.00 0.00 -2.04 0.00 0.00 64.05 60.35 2gri n THR 25 Cb 0.52 1.46 0.00 0.00 -1.82 0.00 0.00 70.33 70.49 2gri n THR 25 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2gri n PHE 26 N 1.70 0.00 0.00 -1.42 7.35 -1.26 -4.86 117.46 118.96 2gri n PHE 26 Ca 0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 2gri n PHE 26 Cb 0.63 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.46 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 -1.60 0.00 0.09 -4.13 2.13 -1.25 -5.00 120.64 110.89 2gri n GLU 27 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2gri n GLU 27 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2gri n GLU 27 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2gri n LEU 28 N 0.00 -0.81 -4.25 4.31 7.94 -1.26 -4.75 117.00 118.18 2gri n LEU 28 Ca 0.00 0.32 -0.14 0.00 -1.11 0.00 0.00 56.01 55.08 2gri n LEU 28 Cb 0.00 0.91 -0.10 0.00 0.53 0.00 0.00 43.42 44.76 2gri n LEU 28 CO 0.00 -0.46 -0.34 -0.62 -1.11 0.00 0.00 177.39 174.87 2gri s ASP 29 N -3.98 1.35 -0.04 1.96 -1.08 -1.26 -5.05 116.67 108.56 2gri s ASP 29 Ca 0.00 -1.16 0.11 0.00 -0.52 0.00 0.00 52.55 50.98 2gri s ASP 29 Cb 0.00 0.09 -0.17 0.00 -1.46 0.00 0.00 42.92 41.38 2gri s ASP 29 CO 0.00 -0.54 0.20 -1.84 0.52 0.00 0.00 175.17 173.51 2gri n GLU 30 N -0.26 0.87 -0.04 4.34 0.28 -1.26 -4.01 120.64 120.56 2gri n GLU 30 Ca -0.07 -0.08 0.01 0.00 -0.16 0.00 0.00 57.16 56.87 2gri n GLU 30 Cb 0.63 -1.29 -0.13 0.00 1.43 0.00 0.00 31.44 32.08 2gri n GLU 30 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2gri n ARG 31 N -2.06 0.91 -2.89 3.44 3.00 -1.26 -4.66 116.66 113.14 2gri n ARG 31 Ca -0.07 -0.09 -0.17 0.00 -0.01 0.00 0.00 57.85 57.51 2gri n ARG 31 Cb 0.47 -1.41 -0.01 0.00 0.00 0.00 0.00 32.46 31.51 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 -2.31 0.97 -0.08 1.55 0.24 -1.26 -4.89 118.33 112.54 2gri n VAL 32 Ca -0.13 -4.22 -0.22 0.00 -2.04 0.00 0.00 64.34 57.73 2gri n VAL 32 Cb 0.70 -0.20 -0.12 0.00 -1.47 0.00 0.00 33.84 32.74 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 2.95 0.08 -0.01 -1.34 1.82 -1.83 -3.35 116.42 114.73 2gri h ASP 33 Ca 0.06 -0.60 0.00 0.00 -0.39 0.00 0.00 57.03 56.10 2gri h ASP 33 Cb 0.98 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.96 2gri h ASP 33 CO 0.58 1.54 0.05 0.07 -1.61 0.00 0.00 179.24 179.87 2gri h LYS 34 N -0.81 0.00 0.00 0.28 -0.00 -1.90 -0.58 116.57 113.56 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 1.42 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.65 2gri h LYS 34 CO -0.15 0.00 -0.02 0.28 -0.00 0.00 0.00 179.45 179.56 2gri h VAL 35 N 0.00 0.21 -0.10 0.07 2.07 -1.94 0.29 116.25 116.84 2gri h VAL 35 Ca 0.00 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2gri h VAL 35 Cb 0.11 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2gri h VAL 35 CO -0.00 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.61 2gri n LEU 36 N -3.34 2.02 -0.00 2.57 -0.00 -0.24 -3.61 117.00 114.40 2gri n LEU 36 Ca -0.02 -1.61 0.02 0.00 -0.00 0.00 0.00 56.01 54.40 2gri n LEU 36 Cb 0.12 -0.06 -0.04 0.00 -0.00 0.00 0.00 43.42 43.44 2gri n LEU 36 CO 0.24 0.49 -0.57 -0.46 -0.00 0.00 0.00 177.39 177.09 2gri n ASN 37 N 0.08 3.86 -0.00 1.45 6.94 -0.53 -3.24 115.26 123.82 2gri n ASN 37 Ca 0.04 0.00 -0.00 0.00 -0.02 0.00 0.00 54.58 54.60 2gri n ASN 37 Cb 0.25 1.15 -0.01 0.00 -2.36 0.00 0.00 39.78 38.81 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 -1.73 2.67 0.09 -3.83 0.28 0.90 -4.34 120.64 114.68 2gri n GLU 38 Ca -0.02 -0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.09 2gri n GLU 38 Cb 0.19 -1.03 -0.02 0.00 1.43 0.00 0.00 31.44 32.01 2gri n GLU 38 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2gri n LYS 39 N -1.89 0.61 -2.65 3.44 3.00 -1.22 -4.82 118.16 114.63 2gri n LYS 39 Ca -0.01 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 2gri n LYS 39 Cb 0.38 -1.78 0.02 0.00 0.00 0.00 0.00 35.03 33.65 2gri n LYS 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2gri n SER 41 N 3.14 2.41 -4.73 0.00 2.88 -1.20 -4.30 113.62 111.83 2gri n SER 41 Ca 0.06 -0.24 -0.34 0.00 -1.33 0.00 0.00 58.87 57.02 2gri n SER 41 Cb 0.66 1.15 -0.08 0.00 -0.75 0.00 0.00 64.21 65.18 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 -2.02 4.52 -0.00 2.46 0.11 -1.26 -1.62 120.40 122.59 2gri s VAL 42 Ca -0.00 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.75 2gri s VAL 42 Cb 0.04 -2.97 -0.00 0.00 -1.53 0.00 0.00 36.38 31.92 2gri s VAL 42 CO 0.21 0.51 -0.01 -0.31 -3.33 0.00 0.00 175.10 172.17 2gri s TYR 43 N -1.01 0.12 -0.12 1.54 1.51 0.87 -5.00 117.35 115.25 2gri s TYR 43 Ca 0.17 -0.02 0.01 0.00 -1.01 0.00 0.00 57.07 56.22 2gri s TYR 43 Cb -0.12 -0.08 -0.01 0.00 -0.11 0.00 0.00 41.96 41.65 2gri s TYR 43 CO 0.07 -0.00 -0.17 0.99 -1.11 0.00 0.00 175.55 175.32 2gri s THR 44 N -0.02 2.69 0.32 -0.71 2.01 -1.26 -0.59 115.64 118.07 2gri s THR 44 Ca 0.00 -0.79 0.10 0.00 0.31 0.00 0.00 61.69 61.31 2gri s THR 44 Cb -0.01 -2.10 -0.06 0.00 0.01 0.00 0.00 72.50 70.35 2gri s THR 44 CO -0.00 0.54 -0.10 0.68 -0.69 0.00 0.00 174.62 175.04 2gri s VAL 45 N 0.33 2.44 0.00 3.82 -7.23 -1.24 -4.93 120.40 113.58 2gri s VAL 45 Ca -0.14 -2.21 0.00 0.00 -1.81 0.00 0.00 61.98 57.82 2gri s VAL 45 Cb -0.17 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.20 2gri s VAL 45 CO 0.07 -0.27 0.00 1.21 -0.31 0.00 0.00 175.10 175.80 2gri n GLU 46 N -0.77 -0.99 0.14 4.82 2.13 -1.26 -0.89 120.64 123.81 2gri n GLU 46 Ca -0.05 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.80 2gri n GLU 46 Cb 0.62 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.36 2gri n GLU 46 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2gri h SER 47 N -1.04 0.00 -3.94 4.31 0.87 -1.64 -3.38 113.55 108.74 2gri h SER 47 Ca 0.00 0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 59.89 2gri h SER 47 Cb 0.00 0.00 -0.38 0.00 -0.44 0.00 0.00 62.40 61.58 2gri h SER 47 CO 0.00 0.45 -0.41 -0.83 -0.53 0.00 0.00 176.83 175.51 2gri s GLY 48 N -4.45 2.66 0.02 5.77 0.00 -1.26 -4.98 107.32 105.07 2gri s GLY 48 Ca 0.04 -3.46 0.01 0.00 0.00 0.00 0.00 44.72 41.31 2gri s GLY 48 CO 0.74 1.09 -0.05 -1.59 0.00 0.00 0.00 173.10 173.29 2gri s THR 49 N -0.56 0.37 0.39 0.90 2.01 -1.26 -5.16 115.64 112.32 2gri s THR 49 Ca 0.20 -0.64 0.08 0.00 0.31 0.00 0.00 61.69 61.63 2gri s THR 49 Cb -0.17 -0.40 -0.00 0.00 0.01 0.00 0.00 72.50 71.94 2gri s THR 49 CO -0.06 -0.19 0.50 -1.61 -0.69 0.00 0.00 174.62 172.57 2gri s GLU 50 N -0.89 2.87 0.25 4.92 8.01 -1.26 -4.99 118.70 127.60 2gri s GLU 50 Ca -0.06 -1.21 0.23 0.00 0.01 0.00 0.00 54.97 53.94 2gri s GLU 50 Cb -0.06 -2.71 0.97 0.00 -4.31 0.00 0.00 34.13 28.02 2gri s GLU 50 CO -0.00 -0.14 1.69 0.28 0.01 0.00 0.00 175.26 177.10 2gri n VAL 51 N -1.73 0.85 0.01 2.63 0.31 -1.26 -2.28 118.33 116.86 2gri n VAL 51 Ca 0.05 0.26 -0.02 0.00 -0.01 0.00 0.00 64.34 64.62 2gri n VAL 51 Cb 0.59 -1.19 -0.11 0.00 -0.91 0.00 0.00 33.84 32.23 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 -2.21 1.20 0.01 2.52 5.66 -1.26 -4.08 114.28 116.12 2gri n THR 52 Ca 0.02 -0.71 0.01 0.00 -3.05 0.00 0.00 64.05 60.31 2gri n THR 52 Cb 0.21 -0.71 0.33 0.00 -1.55 0.00 0.00 70.33 68.62 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 0.49 0.00 1.09 4.81 -1.85 -1.64 114.58 117.48 2gri h GLU 53 Ca -0.22 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 58.90 2gri h GLU 53 Cb 1.69 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.99 2gri h GLU 53 CO 0.05 0.50 -0.10 0.74 -0.73 0.00 0.00 179.01 179.47 2gri h PHE 54 N 0.48 0.00 0.00 0.92 0.04 -1.71 -2.48 116.94 114.20 2gri h PHE 54 Ca 0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.88 2gri h PHE 54 Cb 0.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.42 2gri h PHE 54 CO 0.01 0.10 0.00 0.00 -0.60 0.00 0.00 178.31 177.82 2gri n ALA 55 N -2.15 1.94 0.05 2.45 0.00 -0.62 -2.12 120.51 120.06 2gri n ALA 55 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.39 2gri n ALA 55 Cb 0.36 -1.30 0.05 0.00 0.00 0.00 0.00 19.45 18.56 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 0.00 0.21 0.00 3.14 -0.90 -4.44 118.33 116.48 2gri n VAL 57 Ca 0.05 -0.49 0.02 0.00 -2.96 0.00 0.00 64.34 60.96 2gri n VAL 57 Cb 0.25 1.00 0.00 0.00 -1.06 0.00 0.00 33.84 34.04 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 -0.91 0.00 -0.01 1.55 0.31 -0.94 -3.98 118.33 114.34 2gri n VAL 58 Ca 0.00 -0.46 0.06 0.00 -0.01 0.00 0.00 64.34 63.93 2gri n VAL 58 Cb 0.00 1.06 -0.11 0.00 -0.91 0.00 0.00 33.84 33.88 2gri n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gri n ALA 59 N -0.26 2.48 -0.11 3.52 0.00 -1.26 -4.15 120.51 120.73 2gri n ALA 59 Ca 0.02 -0.38 -0.16 0.00 0.00 0.00 0.00 53.44 52.92 2gri n ALA 59 Cb 0.10 -0.47 -0.10 0.00 0.00 0.00 0.00 19.45 18.99 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 -2.04 0.56 -0.13 0.00 -0.00 -1.26 -3.57 120.64 114.19 2gri n GLU 60 Ca -0.04 0.13 -0.11 0.00 -0.00 0.00 0.00 57.16 57.15 2gri n GLU 60 Cb 0.42 -1.44 -0.02 0.00 -0.00 0.00 0.00 31.44 30.40 2gri n GLU 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2gri h ALA 61 N -0.05 0.51 -0.85 -1.84 0.00 -1.83 -3.04 119.26 112.17 2gri h ALA 61 Ca -0.51 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 54.24 2gri h ALA 61 Cb 1.76 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.33 2gri h ALA 61 CO -0.09 0.32 0.48 -0.39 0.00 0.00 0.00 179.25 179.57 2gri h VAL 62 N 0.50 0.85 -0.31 0.00 -1.51 -1.81 -1.85 116.25 112.12 2gri h VAL 62 Ca 0.10 -0.26 0.03 0.00 -1.23 0.00 0.00 66.70 65.35 2gri h VAL 62 Cb 0.53 0.03 -0.03 0.00 -2.13 0.00 0.00 31.29 29.69 2gri h VAL 62 CO 0.03 0.14 0.11 0.58 -1.23 0.00 0.00 177.57 177.19 2gri h VAL 63 N 0.75 0.91 -0.94 7.19 2.07 -1.72 0.29 116.25 124.81 2gri h VAL 63 Ca 0.43 -0.08 0.22 0.00 0.82 0.00 0.00 66.70 68.09 2gri h VAL 63 Cb 0.47 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 2gri h VAL 63 CO -0.29 0.05 0.62 0.11 0.02 0.00 0.00 177.57 178.08 2gri h LYS 64 N 0.25 0.37 0.00 1.57 1.57 -1.29 0.25 116.57 119.29 2gri h LYS 64 Ca 0.14 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 2gri h LYS 64 Cb 0.11 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2gri h LYS 64 CO -0.14 0.24 -1.08 1.15 -0.57 0.00 0.00 179.45 179.05 2gri h THR 65 N 0.38 0.14 -1.81 -0.16 2.02 -1.15 -3.36 112.91 108.97 2gri h THR 65 Ca 0.50 -1.28 -0.72 0.00 0.77 0.00 0.00 66.41 65.68 2gri h THR 65 Cb 1.29 1.66 -0.31 0.00 -1.74 0.00 0.00 68.15 69.06 2gri h THR 65 CO -0.19 0.08 0.62 0.18 0.37 0.00 0.00 175.52 176.58 2gri n LEU 66 N -2.75 6.86 -1.74 2.58 4.32 0.94 -4.56 117.00 122.64 2gri n LEU 66 Ca -0.02 -4.89 -0.07 0.00 -0.02 0.00 0.00 56.01 51.00 2gri n LEU 66 Cb 0.63 -0.91 0.08 0.00 -1.62 0.00 0.00 43.42 41.59 2gri n LEU 66 CO 0.41 1.86 0.17 0.00 -1.22 0.00 0.00 177.39 178.60 2gri n GLN 67 N -0.55 2.18 -0.02 3.23 1.13 -0.97 -4.81 117.38 117.56 2gri n GLN 67 Ca 0.51 -3.50 -0.13 0.00 -1.94 0.00 0.00 57.00 51.94 2gri n GLN 67 Cb 0.37 -1.64 -0.10 0.00 0.11 0.00 0.00 30.24 28.98 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 1.79 0.02 -0.30 -1.09 0.13 -1.90 -3.42 132.00 127.24 2gri h PRO 68 Ca 0.08 -0.01 -0.27 0.00 -0.87 0.00 0.00 66.00 64.92 2gri h PRO 68 Cb 1.39 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.34 2gri h PRO 68 CO 0.35 0.51 -0.56 1.33 -0.23 0.00 0.00 178.00 179.39 2gri n VAL 69 N -4.83 -0.04 0.31 1.56 0.24 -1.26 -4.96 118.33 109.34 2gri n VAL 69 Ca -0.08 -1.94 0.10 0.00 -2.04 0.00 0.00 64.34 60.38 2gri n VAL 69 Cb 0.26 1.18 0.46 0.00 -1.47 0.00 0.00 33.84 34.27 2gri n VAL 69 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2gri n SER 70 N 0.64 0.51 0.24 -1.34 3.41 -1.26 -2.13 113.62 113.68 2gri n SER 70 Ca 0.09 0.66 0.16 0.00 -0.26 0.00 0.00 58.87 59.53 2gri n SER 70 Cb 0.68 -0.76 0.82 0.00 -0.26 0.00 0.00 64.21 64.69 2gri n SER 70 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2gri h ASP 71 N 0.00 0.00 0.09 4.04 2.03 -1.97 -2.18 116.42 118.43 2gri h ASP 71 Ca 0.00 0.00 -0.37 0.00 -0.73 0.00 0.00 57.03 55.93 2gri h ASP 71 Cb 0.21 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.66 2gri h ASP 71 CO 0.00 0.00 -2.25 0.00 -1.03 0.00 0.00 179.24 175.96 2gri n LEU 72 N -2.64 1.90 0.06 0.15 -0.00 -0.91 -4.25 117.00 111.31 2gri n LEU 72 Ca -0.01 0.04 0.05 0.00 -0.00 0.00 0.00 56.01 56.09 2gri n LEU 72 Cb 0.10 -0.47 0.47 0.00 -0.00 0.00 0.00 43.42 43.52 2gri n LEU 72 CO 0.16 0.74 1.13 -0.07 -0.00 0.00 0.00 177.39 179.36 2gri h LEU 73 N 0.02 0.36 -1.09 1.47 3.38 -1.52 -0.17 115.31 117.76 2gri h LEU 73 Ca -0.50 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2gri h LEU 73 Cb 2.03 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.69 2gri h LEU 73 CO 0.00 0.27 0.00 0.74 0.09 0.00 0.00 178.44 179.54 2gri h THR 74 N 0.42 0.00 0.00 0.22 2.02 -1.36 -0.75 112.91 113.47 2gri h THR 74 Ca 0.11 -0.47 -0.07 0.00 0.77 0.00 0.00 66.41 66.75 2gri h THR 74 Cb -0.03 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2gri h THR 74 CO -0.02 0.00 -0.32 0.78 0.37 0.00 0.00 175.52 176.33 2gri h ASN 75 N 0.00 0.00 0.00 4.18 2.35 -1.20 -3.25 115.58 117.66 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 0.52 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.85 2gri h ASN 75 CO 0.00 0.32 -2.19 1.15 -1.65 0.00 0.00 177.43 175.06 2gri n MET 76 N -3.27 0.74 0.00 0.81 0.00 -1.00 -5.01 117.12 109.38 2gri n MET 76 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 57.70 57.63 2gri n MET 76 Cb 0.58 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.30 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 1.60 2.42 3.57 3.17 0.00 -0.53 -5.08 105.19 110.32 2gri n GLY 77 Ca -0.20 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 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 0.20 -3.10 -0.61 5.41 -0.40 -4.82 119.36 116.04 2gri n ILE 78 Ca 0.00 -0.54 -0.39 0.00 1.00 0.00 0.00 62.75 62.82 2gri n ILE 78 Cb 0.00 -2.52 -0.05 0.00 -0.71 0.00 0.00 39.64 36.36 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 9.41 6.94 -0.06 4.38 -1.08 -1.26 -2.95 116.67 132.04 2gri s ASP 79 Ca 1.02 1.13 0.11 0.00 -0.52 0.00 0.00 52.55 54.28 2gri s ASP 79 Cb -0.35 -2.39 -0.23 0.00 -1.46 0.00 0.00 42.92 38.48 2gri s ASP 79 CO 0.34 -0.08 0.58 -0.11 0.52 0.00 0.00 175.17 176.42 2gri n LEU 80 N 3.68 1.02 0.10 -1.34 -0.00 -1.26 -3.86 117.00 115.35 2gri n LEU 80 Ca -0.03 0.36 0.12 0.00 -0.00 0.00 0.00 56.01 56.46 2gri n LEU 80 Cb 0.51 0.04 0.46 0.00 -0.00 0.00 0.00 43.42 44.43 2gri n LEU 80 CO 0.46 0.45 0.86 0.47 -0.00 0.00 0.00 177.39 179.64 2gri n ASP 81 N -3.07 0.63 0.01 1.96 8.00 -1.26 -2.78 116.55 120.03 2gri n ASP 81 Ca -0.20 0.61 -0.08 0.00 0.71 0.00 0.00 54.79 55.83 2gri n ASP 81 Cb 1.06 -0.76 -0.13 0.00 -0.02 0.00 0.00 41.12 41.26 2gri n ASP 81 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2gri h GLU 82 N 0.00 0.00 -0.43 -1.24 4.11 -1.94 -3.35 114.58 111.73 2gri h GLU 82 Ca 0.00 -0.01 0.09 0.00 0.07 0.00 0.00 59.36 59.51 2gri h GLU 82 Cb 0.48 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.65 2gri h GLU 82 CO 0.00 0.66 -0.18 -1.49 0.07 0.00 0.00 179.01 178.07 2gri h TRP 83 N 0.00 -0.44 -0.61 2.06 4.06 -1.62 0.31 115.95 119.71 2gri h TRP 83 Ca -0.20 0.05 0.02 0.00 2.06 0.00 0.00 58.89 60.82 2gri h TRP 83 Cb 1.94 0.26 -0.04 0.00 -1.00 0.00 0.00 29.16 30.32 2gri h TRP 83 CO 0.00 -0.26 0.39 1.03 -3.56 0.00 0.00 178.44 176.04 2gri h SER 84 N -0.09 0.64 -0.86 -3.49 0.87 -1.71 -2.12 113.55 106.79 2gri h SER 84 Ca 0.21 -0.01 -0.52 0.00 -1.23 0.00 0.00 61.79 60.24 2gri h SER 84 Cb 0.41 -0.15 -0.26 0.00 -0.44 0.00 0.00 62.40 61.97 2gri h SER 84 CO -0.49 0.46 0.67 0.55 -0.53 0.00 0.00 176.83 177.48 2gri n VAL 85 N -4.70 3.18 -3.62 2.23 3.14 -0.43 -4.75 118.33 113.38 2gri n VAL 85 Ca 0.05 -2.16 -0.17 0.00 -2.96 0.00 0.00 64.34 59.10 2gri n VAL 85 Cb 0.06 -0.91 0.01 0.00 -1.06 0.00 0.00 33.84 31.94 2gri n VAL 85 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gri n ALA 86 N -0.74 0.63 -3.69 1.55 0.00 0.97 -4.96 120.51 114.27 2gri n ALA 86 Ca 0.53 -1.50 -0.37 0.00 0.00 0.00 0.00 53.44 52.11 2gri n ALA 86 Cb 1.04 0.58 -0.09 0.00 0.00 0.00 0.00 19.45 20.98 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 -1.79 3.86 -0.23 0.00 2.01 -1.26 -5.04 115.64 113.19 2gri s THR 87 Ca 0.25 -3.08 -0.25 0.00 0.31 0.00 0.00 61.69 58.93 2gri s THR 87 Cb -0.02 -3.49 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 2gri s THR 87 CO 0.16 -0.91 0.84 -0.36 -0.69 0.00 0.00 174.62 173.66 2gri s PHE 88 N -0.24 3.33 0.28 4.92 0.40 -1.26 -4.69 117.98 120.72 2gri s PHE 88 Ca 0.18 1.17 0.05 0.00 -0.60 0.00 0.00 56.93 57.74 2gri s PHE 88 Cb -0.18 -3.05 -0.02 0.00 0.51 0.00 0.00 43.02 40.27 2gri s PHE 88 CO -0.05 -0.38 0.41 0.71 0.70 0.00 0.00 175.22 176.62 2gri s TYR 89 N 2.73 3.33 0.03 0.36 2.02 0.61 -4.83 117.35 121.60 2gri s TYR 89 Ca 0.36 -0.07 0.02 0.00 -0.37 0.00 0.00 57.07 57.00 2gri s TYR 89 Cb -0.15 -1.75 -0.02 0.00 -0.40 0.00 0.00 41.96 39.64 2gri s TYR 89 CO 0.08 0.25 -0.06 -0.51 -1.57 0.00 0.00 175.55 173.74 2gri s LEU 90 N -4.08 2.19 0.00 -1.29 1.02 -1.26 -1.05 118.68 114.22 2gri s LEU 90 Ca 0.38 -0.42 0.04 0.00 0.02 0.00 0.00 54.13 54.16 2gri s LEU 90 Cb -0.09 -0.15 -0.02 0.00 0.02 0.00 0.00 46.19 45.95 2gri s LEU 90 CO 0.30 -0.15 0.31 0.49 0.02 0.00 0.00 176.35 177.33 2gri n PHE 91 N 1.88 -0.91 -4.64 0.29 3.72 0.68 -4.49 117.46 113.99 2gri n PHE 91 Ca -0.20 -2.42 -0.30 0.00 -0.05 0.00 0.00 57.45 54.48 2gri n PHE 91 Cb 0.56 0.33 -0.07 0.00 -0.94 0.00 0.00 39.48 39.36 2gri n PHE 91 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2gri s ASP 92 N -3.06 3.49 0.39 4.37 1.11 0.43 -1.05 116.67 122.34 2gri s ASP 92 Ca 0.33 -1.71 0.28 0.00 0.18 0.00 0.00 52.55 51.63 2gri s ASP 92 Cb 0.01 0.61 1.07 0.00 1.07 0.00 0.00 42.92 45.68 2gri s ASP 92 CO 0.24 -0.94 1.82 -0.78 1.18 0.00 0.00 175.17 176.68 2gri h ASP 93 N 1.53 0.00 -0.02 0.27 3.58 -1.87 -2.50 116.42 117.40 2gri h ASP 93 Ca -0.39 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.06 2gri h ASP 93 Cb 1.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.35 2gri h ASP 93 CO 0.63 0.00 -0.16 0.00 -2.88 0.00 0.00 179.24 176.84 2gri n ALA 94 N -1.93 2.82 -1.63 -0.78 0.00 -1.26 -4.96 120.51 112.77 2gri n ALA 94 Ca 0.02 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2gri n ALA 94 Cb 0.31 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 1.35 0.90 3.20 0.00 0.00 -0.94 -5.08 105.19 104.62 2gri n GLY 95 Ca 0.12 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.39 1.12 -1.37 1.61 -1.05 -1.26 -4.83 118.70 109.54 2gri s GLU 96 Ca 0.00 -0.86 -0.16 0.00 -0.15 0.00 0.00 54.97 53.80 2gri s GLU 96 Cb 0.00 -1.19 0.06 0.00 -0.44 0.00 0.00 34.13 32.55 2gri s GLU 96 CO 0.00 0.30 1.97 -1.91 0.95 0.00 0.00 175.26 176.57 2gri n GLU 97 N 1.81 3.03 -4.63 -4.83 2.13 -1.26 -0.43 120.64 116.45 2gri n GLU 97 Ca -0.18 -2.96 -0.29 0.00 0.66 0.00 0.00 57.16 54.40 2gri n GLU 97 Cb 0.54 -3.40 -0.09 0.00 0.27 0.00 0.00 31.44 28.76 2gri n GLU 97 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2gri s ASN 98 N 3.75 3.55 -0.54 4.31 0.01 -1.26 -4.94 114.94 119.82 2gri s ASN 98 Ca 0.51 -1.54 0.05 0.00 -0.71 0.00 0.00 52.86 51.16 2gri s ASN 98 Cb 0.09 0.19 0.37 0.00 0.41 0.00 0.00 41.25 42.30 2gri s ASN 98 CO 0.00 -0.72 1.03 2.22 -1.51 0.00 0.00 177.10 178.12 2gri n PHE 99 N -1.03 3.81 -0.85 2.20 -1.74 -1.26 -4.71 117.46 113.87 2gri n PHE 99 Ca -0.10 -3.65 0.00 0.00 -0.56 0.00 0.00 57.45 53.13 2gri n PHE 99 Cb 0.67 -0.37 0.00 0.00 1.52 0.00 0.00 39.48 41.29 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 -0.33 -0.02 -0.24 5.98 2.88 -1.26 -4.89 113.62 115.74 2gri n SER 100 Ca 0.34 -0.85 0.27 0.00 -1.33 0.00 0.00 58.87 57.30 2gri n SER 100 Cb 0.48 0.00 0.65 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 -0.02 0.15 -4.35 -3.46 0.02 -1.98 -3.40 113.55 100.52 2gri h SER 101 Ca 0.00 0.02 -0.60 0.00 -0.84 0.00 0.00 61.79 60.38 2gri h SER 101 Cb 0.00 -0.00 -0.30 0.00 0.14 0.00 0.00 62.40 62.24 2gri h SER 101 CO 0.00 0.04 -0.85 -0.60 -1.14 0.00 0.00 176.83 174.28 2gri s ARG 102 N -5.14 1.69 -0.15 3.45 3.52 -1.26 -3.75 118.95 117.30 2gri s ARG 102 Ca -0.06 -0.72 -0.05 0.00 -0.13 0.00 0.00 55.73 54.78 2gri s ARG 102 Cb 0.23 -1.60 0.06 0.00 -1.56 0.00 0.00 34.95 32.07 2gri s ARG 102 CO 0.78 0.41 0.09 1.41 -0.81 0.00 0.00 175.30 177.19 2gri s MET 103 N -0.41 0.05 -0.15 5.12 -2.45 -0.74 -4.68 119.30 116.04 2gri s MET 103 Ca 0.06 0.01 -0.29 0.00 -1.25 0.00 0.00 55.69 54.21 2gri s MET 103 Cb -0.08 -1.60 -0.00 0.00 1.25 0.00 0.00 34.83 34.40 2gri s MET 103 CO -0.00 -0.62 1.03 0.71 1.05 0.00 0.00 175.02 177.19 2gri s TYR 104 N 2.16 3.43 -0.61 4.11 2.02 -0.22 -3.73 117.35 124.51 2gri s TYR 104 Ca 0.03 1.53 -0.21 0.00 -0.37 0.00 0.00 57.07 58.04 2gri s TYR 104 Cb -0.15 -3.23 0.07 0.00 -0.40 0.00 0.00 41.96 38.25 2gri s TYR 104 CO -0.08 -0.38 0.85 0.00 -1.57 0.00 0.00 175.55 174.37 2gri s SER 106 N 3.45 5.93 -0.16 0.00 1.04 -0.21 -3.86 113.70 119.89 2gri s SER 106 Ca 0.19 0.13 0.12 0.00 0.48 0.00 0.00 55.95 56.88 2gri s SER 106 Cb -0.19 -1.72 0.64 0.00 0.10 0.00 0.00 66.02 64.86 2gri s SER 106 CO 0.10 0.18 1.49 2.22 0.98 0.00 0.00 173.24 178.21 2gri n PHE 107 N 0.43 1.54 -4.12 5.02 -1.74 -1.26 -0.28 117.46 117.04 2gri n PHE 107 Ca -0.07 -0.55 -0.12 0.00 -0.56 0.00 0.00 57.45 56.15 2gri n PHE 107 Cb 0.51 -0.37 -0.11 0.00 1.52 0.00 0.00 39.48 41.04 2gri n PHE 107 CO 0.00 0.00 0.00 1.52 -0.56 0.00 0.00 176.76 177.72 2gri s TYR 108 N -2.23 0.81 0.96 2.97 1.13 -1.26 -4.88 117.35 114.85 2gri s TYR 108 Ca 0.43 -0.71 -0.12 0.00 -1.41 0.00 0.00 57.07 55.26 2gri s TYR 108 Cb 0.31 -0.47 0.16 0.00 -1.10 0.00 0.00 41.96 40.87 2gri s TYR 108 CO 0.15 -0.11 1.09 -1.25 -2.51 0.00 0.00 175.55 172.92 2gri s PRO 109 N -2.72 0.76 0.00 -3.49 0.04 -1.26 -4.67 135.00 123.66 2gri s PRO 109 Ca 0.01 0.64 -0.24 0.00 0.04 0.00 0.00 61.00 61.45 2gri s PRO 109 Cb -0.02 -1.77 -0.18 0.00 0.04 0.00 0.00 34.50 32.57 2gri s PRO 109 CO -0.02 -2.54 1.30 -1.00 0.04 0.00 0.00 177.00 174.78 2gri h PRO 110 N -1.76 0.15 0.00 0.56 0.13 -2.01 -3.47 132.00 125.61 2gri h PRO 110 Ca -0.52 -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 -5.21 116.55 114.78 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 1.21 -0.39 0.00 0.00 177.20 178.02