#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 1.45 -2.71 0.00 -0.04 -1.26 -4.92 135.00 127.51 2gri n PRO 2 Ca 0.00 -1.96 -0.29 0.00 -0.04 0.00 0.00 63.50 61.21 2gri n PRO 2 Cb 0.00 -3.10 -0.02 0.00 -0.04 0.00 0.00 33.50 30.34 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 6.63 4.83 0.36 0.52 1.01 -1.26 -4.61 121.20 128.68 2gri s ILE 3 Ca 0.61 0.48 -0.06 0.00 0.00 0.00 0.00 60.65 61.67 2gri s ILE 3 Cb 0.11 -3.79 0.09 0.00 0.01 0.00 0.00 42.46 38.88 2gri s ILE 3 CO 0.13 -0.68 0.21 0.29 0.00 0.00 0.00 174.94 174.89 2gri n LYS 4 N -1.75 -2.41 0.00 2.79 4.76 -0.19 -4.94 118.16 116.43 2gri n LYS 4 Ca 0.02 -0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.11 2gri n LYS 4 Cb 0.54 -0.47 0.00 0.00 -1.84 0.00 0.00 35.03 33.26 2gri n LYS 4 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2gri n GLY 5 N -1.33 -3.26 3.02 0.72 0.00 -1.26 -4.25 105.19 98.83 2gri n GLY 5 Ca 0.03 0.37 -0.33 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.21 3.39 -0.09 1.61 1.01 -1.26 -5.04 120.40 118.81 2gri s VAL 6 Ca 0.00 -3.51 -0.25 0.00 0.00 0.00 0.00 61.98 58.21 2gri s VAL 6 Cb 0.00 -3.22 0.06 0.00 0.00 0.00 0.00 36.38 33.22 2gri s VAL 6 CO 0.00 -0.93 0.59 -0.89 0.00 0.00 0.00 175.10 173.88 2gri s THR 7 N -0.68 0.01 -0.29 3.92 2.01 -1.26 -5.17 115.64 114.18 2gri s THR 7 Ca 0.21 -0.09 -0.17 0.00 0.31 0.00 0.00 61.69 61.95 2gri s THR 7 Cb -0.16 -0.89 0.18 0.00 0.01 0.00 0.00 72.50 71.64 2gri s THR 7 CO -0.07 -0.05 1.15 0.72 -0.69 0.00 0.00 174.62 175.68 2gri s PHE 8 N -0.82 -0.29 -1.15 4.92 -0.71 -1.26 -4.70 117.98 113.97 2gri s PHE 8 Ca -0.09 0.58 -0.17 0.00 -1.04 0.00 0.00 56.93 56.21 2gri s PHE 8 Cb -0.02 0.20 -0.02 0.00 -1.21 0.00 0.00 43.02 41.97 2gri s PHE 8 CO 0.07 -0.14 0.79 0.41 -1.34 0.00 0.00 175.22 175.00 2gri n GLY 9 N 3.23 -0.95 0.12 1.99 0.00 -1.26 -4.92 105.19 103.40 2gri n GLY 9 Ca -0.17 0.44 -0.17 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.09 0.67 0.05 1.61 -0.58 -1.26 -5.02 120.64 112.01 2gri n GLU 10 Ca -0.11 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2gri n GLU 10 Cb 0.60 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 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 -3.18 -0.86 -3.51 1.62 2.03 -1.26 -5.13 116.55 106.25 2gri n ASP 11 Ca -0.41 0.30 -0.04 0.00 0.52 0.00 0.00 54.79 55.15 2gri n ASP 11 Cb 1.03 1.04 0.00 0.00 -0.72 0.00 0.00 41.12 42.47 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 -1.42 0.00 0.62 5.18 -1.32 -1.26 -5.11 115.64 112.33 2gri s THR 12 Ca 0.00 -0.72 -0.09 0.00 -1.21 0.00 0.00 61.69 59.68 2gri s THR 12 Cb 0.00 -2.42 -0.00 0.00 -1.51 0.00 0.00 72.50 68.57 2gri s THR 12 CO 0.00 0.00 0.98 -0.69 -2.21 0.00 0.00 174.62 172.70 2gri s VAL 13 N -2.83 3.89 -1.64 5.08 1.01 -1.26 -3.12 120.40 121.53 2gri s VAL 13 Ca 0.16 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.46 2gri s VAL 13 Cb -0.03 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2gri s VAL 13 CO 0.05 -0.66 0.00 0.79 0.00 0.00 0.00 175.10 175.28 2gri n TRP 14 N -2.72 0.00 0.00 5.22 7.02 -1.26 -4.63 117.44 121.07 2gri n TRP 14 Ca 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.53 2gri n TRP 14 Cb 0.57 -2.99 0.00 0.00 -2.42 0.00 0.00 31.31 26.47 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 -1.77 0.02 0.00 -0.99 -0.58 -1.25 -4.95 120.64 111.11 2gri n GLU 15 Ca -0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 2gri n GLU 15 Cb 0.60 -0.53 0.00 0.00 -0.57 0.00 0.00 31.44 30.95 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 -1.49 0.00 -0.24 2.62 3.14 -1.18 -4.76 118.33 116.42 2gri n VAL 16 Ca 0.00 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.42 2gri n VAL 16 Cb 0.03 -0.76 0.16 0.00 -1.06 0.00 0.00 33.84 32.21 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 0.31 -0.41 1.45 4.15 -1.90 -3.43 115.11 115.27 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 0.79 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.41 2gri h GLN 17 CO 0.00 0.20 0.00 0.41 -1.93 0.00 0.00 178.83 177.51 2gri n GLY 18 N -1.33 0.90 3.36 2.39 0.00 -1.26 -1.02 105.19 108.22 2gri n GLY 18 Ca 0.13 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.41 -0.15 0.23 1.61 2.02 -1.26 -2.44 117.35 114.95 2gri s TYR 19 Ca 0.00 -0.17 0.04 0.00 -0.37 0.00 0.00 57.07 56.57 2gri s TYR 19 Cb 0.00 0.27 -0.01 0.00 -0.40 0.00 0.00 41.96 41.81 2gri s TYR 19 CO 0.00 -0.75 0.14 1.63 -1.57 0.00 0.00 175.55 175.01 2gri n LYS 20 N -0.25 0.42 -3.68 -0.62 4.01 0.02 -4.42 118.16 113.65 2gri n LYS 20 Ca -0.14 -2.11 -0.28 0.00 -0.51 0.00 0.00 58.31 55.26 2gri n LYS 20 Cb 0.63 1.51 -0.16 0.00 -0.51 0.00 0.00 35.03 36.50 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 -2.50 3.24 -0.11 4.39 0.01 -1.26 -3.11 114.94 115.59 2gri s ASN 21 Ca 0.20 -1.09 -0.00 0.00 -0.71 0.00 0.00 52.86 51.27 2gri s ASN 21 Cb 0.01 -0.56 -0.02 0.00 0.41 0.00 0.00 41.25 41.09 2gri s ASN 21 CO 0.14 -0.37 -0.11 0.54 -1.51 0.00 0.00 177.10 175.80 2gri s VAL 22 N 1.89 3.31 0.36 1.60 0.11 -0.95 -4.79 120.40 121.94 2gri s VAL 22 Ca 0.04 -0.59 0.07 0.00 -2.93 0.00 0.00 61.98 58.58 2gri s VAL 22 Cb -0.17 -2.38 -0.00 0.00 -1.53 0.00 0.00 36.38 32.29 2gri s VAL 22 CO -0.18 0.54 0.49 -0.13 -3.33 0.00 0.00 175.10 172.49 2gri s ARG 23 N 0.00 3.00 -0.04 1.54 3.00 -1.20 -1.13 118.95 124.13 2gri s ARG 23 Ca -0.03 -1.10 -0.05 0.00 0.00 0.00 0.00 55.73 54.55 2gri s ARG 23 Cb -0.14 -2.78 0.01 0.00 0.00 0.00 0.00 34.95 32.04 2gri s ARG 23 CO 0.04 -0.04 0.12 0.42 0.00 0.00 0.00 175.30 175.84 2gri s ILE 24 N -2.24 0.02 -0.30 1.52 1.01 -0.28 0.05 121.20 120.97 2gri s ILE 24 Ca 0.48 -0.13 -0.14 0.00 0.00 0.00 0.00 60.65 60.86 2gri s ILE 24 Cb -0.09 -0.22 0.19 0.00 0.01 0.00 0.00 42.46 42.34 2gri s ILE 24 CO 0.31 -0.07 1.15 0.28 0.00 0.00 0.00 174.94 176.61 2gri s THR 25 N -0.19 -0.05 0.00 2.92 -1.32 -1.26 -4.76 115.64 110.98 2gri s THR 25 Ca -0.03 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.45 2gri s THR 25 Cb -0.02 -0.02 0.00 0.00 -1.51 0.00 0.00 72.50 70.95 2gri s THR 25 CO 0.00 0.00 0.00 0.33 -2.21 0.00 0.00 174.62 172.74 2gri n PHE 26 N 4.09 0.00 0.00 9.09 7.35 -1.26 -4.78 117.46 131.95 2gri n PHE 26 Ca 0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 2gri n PHE 26 Cb 0.62 0.02 0.00 0.00 0.35 0.00 0.00 39.48 40.48 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 -1.76 0.00 0.08 -4.13 1.02 -1.26 -5.03 120.64 109.57 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 1.28 1.18 0.00 0.00 177.13 179.59 2gri n LEU 28 N 0.00 0.38 0.00 -4.62 4.32 -1.26 -4.73 117.00 111.08 2gri n LEU 28 Ca 0.00 0.27 -0.30 0.00 -0.02 0.00 0.00 56.01 55.96 2gri n LEU 28 Cb 0.00 0.04 -0.07 0.00 -1.62 0.00 0.00 43.42 41.77 2gri n LEU 28 CO 0.00 -0.68 -0.21 -0.67 -1.22 0.00 0.00 177.39 174.60 2gri n ASP 29 N -3.36 2.79 0.00 -1.43 -0.08 -1.26 -5.04 116.55 108.16 2gri n ASP 29 Ca 0.00 -3.15 0.00 0.00 -1.51 0.00 0.00 54.79 50.13 2gri n ASP 29 Cb 0.04 0.52 0.00 0.00 2.34 0.00 0.00 41.12 44.03 2gri n ASP 29 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2gri n GLU 30 N -1.14 2.70 -0.10 -0.67 0.28 -1.26 -4.43 120.64 116.02 2gri n GLU 30 Ca -0.16 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.72 2gri n GLU 30 Cb 0.62 -1.00 -0.12 0.00 1.43 0.00 0.00 31.44 32.37 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 -2.15 0.90 -1.91 3.44 5.12 -1.26 -4.57 116.66 116.23 2gri n ARG 31 Ca 0.00 0.06 -0.26 0.00 -1.93 0.00 0.00 57.85 55.72 2gri n ARG 31 Cb 0.50 -1.43 0.03 0.00 -1.16 0.00 0.00 32.46 30.39 2gri n ARG 31 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 2gri n VAL 32 N -2.88 2.71 0.01 1.55 0.24 -1.26 -4.67 118.33 114.04 2gri n VAL 32 Ca -0.33 -4.01 -0.14 0.00 -2.04 0.00 0.00 64.34 57.82 2gri n VAL 32 Cb 0.98 -1.14 -0.14 0.00 -1.47 0.00 0.00 33.84 32.07 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 2.15 0.21 0.53 -1.34 3.58 -1.81 -3.32 116.42 116.43 2gri h ASP 33 Ca 0.41 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2gri h ASP 33 Cb 1.41 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.40 2gri h ASP 33 CO 0.90 1.33 0.00 0.07 -2.88 0.00 0.00 179.24 178.66 2gri h LYS 34 N 0.04 0.00 0.00 0.28 -0.00 -1.92 -2.17 116.57 112.80 2gri h LYS 34 Ca -0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.36 2gri h LYS 34 Cb 2.00 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 34.23 2gri h LYS 34 CO 0.11 0.00 -0.01 0.28 -0.00 0.00 0.00 179.45 179.82 2gri h VAL 35 N 0.00 0.11 0.00 0.07 2.07 -1.91 0.42 116.25 117.01 2gri h VAL 35 Ca 0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2gri h VAL 35 Cb 0.27 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2gri h VAL 35 CO 0.00 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.60 2gri n LEU 36 N -3.22 1.69 0.00 2.57 -0.00 -0.83 -3.74 117.00 113.47 2gri n LEU 36 Ca -0.02 -1.69 0.00 0.00 -0.00 0.00 0.00 56.01 54.30 2gri n LEU 36 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.56 2gri n LEU 36 CO 0.23 0.42 -0.14 -0.46 -0.00 0.00 0.00 177.39 177.45 2gri n ASN 37 N -0.36 1.36 0.04 1.45 6.94 -0.75 -3.54 115.26 120.39 2gri n ASN 37 Ca 0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 54.58 54.25 2gri n ASN 37 Cb 0.20 0.89 0.00 0.00 -2.36 0.00 0.00 39.78 38.51 2gri n ASN 37 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 2gri n GLU 38 N -1.02 0.00 -0.39 -3.83 2.13 0.14 -4.38 120.64 113.29 2gri n GLU 38 Ca 0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 2gri n GLU 38 Cb 0.00 -0.48 0.21 0.00 0.27 0.00 0.00 31.44 31.44 2gri n GLU 38 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2gri n LYS 39 N -3.37 2.71 -2.65 5.31 2.85 -1.19 -4.33 118.16 117.49 2gri n LYS 39 Ca 0.00 -1.63 -0.02 0.00 -1.05 0.00 0.00 58.31 55.61 2gri n LYS 39 Cb 0.12 -1.71 0.08 0.00 -0.65 0.00 0.00 35.03 32.87 2gri n LYS 39 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2gri n SER 41 N 0.24 1.60 -4.89 0.00 3.41 -1.23 -3.97 113.62 108.78 2gri n SER 41 Ca -0.14 -0.01 -0.35 0.00 -0.26 0.00 0.00 58.87 58.11 2gri n SER 41 Cb 0.73 0.73 -0.05 0.00 -0.26 0.00 0.00 64.21 65.36 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 -2.35 5.41 0.21 -3.33 0.11 -1.26 -1.13 120.40 118.07 2gri s VAL 42 Ca -0.09 0.08 -0.00 0.00 -2.93 0.00 0.00 61.98 59.04 2gri s VAL 42 Cb 0.04 -3.51 -0.04 0.00 -1.53 0.00 0.00 36.38 31.34 2gri s VAL 42 CO 0.57 0.44 0.10 -0.31 -3.33 0.00 0.00 175.10 172.57 2gri s TYR 43 N -1.21 1.26 0.02 1.54 1.51 -0.28 -5.00 117.35 115.19 2gri s TYR 43 Ca 0.23 -1.26 0.06 0.00 -1.01 0.00 0.00 57.07 55.09 2gri s TYR 43 Cb -0.13 -0.68 -0.03 0.00 -0.11 0.00 0.00 41.96 41.01 2gri s TYR 43 CO 0.13 -0.49 -0.17 0.99 -1.11 0.00 0.00 175.55 174.91 2gri s THR 44 N -3.97 2.89 -0.05 -0.71 2.01 -1.26 -2.24 115.64 112.31 2gri s THR 44 Ca 0.36 -1.07 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 2gri s THR 44 Cb 0.07 -2.20 0.04 0.00 0.01 0.00 0.00 72.50 70.42 2gri s THR 44 CO 0.11 0.39 0.09 0.54 -0.69 0.00 0.00 174.62 175.05 2gri s VAL 45 N -0.89 -0.14 0.00 3.82 0.11 -1.18 -4.95 120.40 117.17 2gri s VAL 45 Ca 0.14 0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.56 2gri s VAL 45 Cb -0.11 -0.19 0.00 0.00 -1.53 0.00 0.00 36.38 34.56 2gri s VAL 45 CO 0.05 0.15 0.00 1.21 -3.33 0.00 0.00 175.10 173.18 2gri n GLU 46 N 5.08 -1.76 0.00 1.54 2.13 -1.26 -0.80 120.64 125.57 2gri n GLU 46 Ca -0.08 0.00 0.14 0.00 0.66 0.00 0.00 57.16 57.87 2gri n GLU 46 Cb 0.50 0.00 0.47 0.00 0.27 0.00 0.00 31.44 32.68 2gri n GLU 46 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2gri n SER 47 N -2.98 1.70 -3.26 4.31 2.88 -1.02 -4.42 113.62 110.82 2gri n SER 47 Ca 0.00 -1.57 -0.25 0.00 -1.33 0.00 0.00 58.87 55.73 2gri n SER 47 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 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 1.20 3.62 3.06 0.46 0.00 -1.26 -5.09 105.19 107.19 2gri n GLY 48 Ca 0.18 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.75 0.61 0.40 2.61 2.01 -1.26 -5.16 115.64 113.09 2gri s THR 49 Ca 0.37 -0.98 0.08 0.00 0.31 0.00 0.00 61.69 61.47 2gri s THR 49 Cb 0.17 -0.64 -0.00 0.00 0.01 0.00 0.00 72.50 72.04 2gri s THR 49 CO -0.08 -0.28 0.49 -1.61 -0.69 0.00 0.00 174.62 172.46 2gri s GLU 50 N -1.37 2.80 0.29 4.92 8.01 -1.26 -5.00 118.70 127.10 2gri s GLU 50 Ca -0.07 -1.27 0.25 0.00 0.01 0.00 0.00 54.97 53.88 2gri s GLU 50 Cb -0.09 -2.66 1.02 0.00 -4.31 0.00 0.00 34.13 28.09 2gri s GLU 50 CO 0.01 -0.17 1.74 0.28 0.01 0.00 0.00 175.26 177.12 2gri h VAL 51 N 0.82 0.00 0.00 2.63 2.07 -1.97 -2.67 116.25 117.13 2gri h VAL 51 Ca -0.42 -0.26 -0.21 0.00 0.82 0.00 0.00 66.70 66.64 2gri h VAL 51 Cb 1.27 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 2gri h VAL 51 CO 0.50 0.00 -1.57 1.07 0.02 0.00 0.00 177.57 177.59 2gri n THR 52 N -2.32 1.27 -0.00 2.57 5.66 -1.26 -4.06 114.28 116.14 2gri n THR 52 Ca 0.02 -0.72 -0.00 0.00 -3.05 0.00 0.00 64.05 60.29 2gri n THR 52 Cb 0.24 -0.78 0.29 0.00 -1.55 0.00 0.00 70.33 68.53 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 0.53 0.00 1.09 4.81 -1.87 -1.88 114.58 117.26 2gri h GLU 53 Ca -0.21 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 2gri h GLU 53 Cb 1.72 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 31.02 2gri h GLU 53 CO 0.05 0.56 -0.16 0.74 -0.73 0.00 0.00 179.01 179.47 2gri h PHE 54 N 0.51 0.00 0.00 0.92 0.04 -1.70 -2.20 116.94 114.50 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 0.34 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.49 2gri h PHE 54 CO 0.01 0.16 0.00 0.00 -0.60 0.00 0.00 178.31 177.88 2gri n ALA 55 N -2.22 1.97 0.26 2.45 0.00 -0.71 -0.86 120.51 121.40 2gri n ALA 55 Ca -0.00 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.40 2gri n ALA 55 Cb 0.35 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.47 0.25 0.41 0.00 3.14 -1.01 -3.84 118.33 115.81 2gri n VAL 57 Ca 0.00 -0.47 0.11 0.00 -2.96 0.00 0.00 64.34 61.03 2gri n VAL 57 Cb 0.19 -0.05 -0.02 0.00 -1.06 0.00 0.00 33.84 32.90 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 -2.22 0.21 0.75 1.55 0.31 -0.04 -3.13 118.33 115.75 2gri n VAL 58 Ca -0.08 -0.33 0.09 0.00 -0.01 0.00 0.00 64.34 64.01 2gri n VAL 58 Cb 0.59 0.11 0.08 0.00 -0.91 0.00 0.00 33.84 33.71 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 -1.95 2.47 -0.04 3.52 0.00 -1.26 -3.93 120.51 119.32 2gri n ALA 59 Ca 0.01 -0.66 -0.05 0.00 0.00 0.00 0.00 53.44 52.74 2gri n ALA 59 Cb 0.47 -0.62 -0.06 0.00 0.00 0.00 0.00 19.45 19.25 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 1.04 1.90 0.06 0.00 0.28 -1.25 -4.05 120.64 118.62 2gri n GLU 60 Ca 0.11 0.02 -0.21 0.00 -0.16 0.00 0.00 57.16 56.92 2gri n GLU 60 Cb 0.46 -1.20 -0.14 0.00 1.43 0.00 0.00 31.44 32.00 2gri n GLU 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2gri h ALA 61 N 0.25 -0.06 -0.79 -1.84 0.00 -1.76 -3.30 119.26 111.76 2gri h ALA 61 Ca -0.21 -0.71 0.12 0.00 0.00 0.00 0.00 54.91 54.11 2gri h ALA 61 Cb 1.43 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.24 2gri h ALA 61 CO -0.00 0.48 0.40 -0.39 0.00 0.00 0.00 179.25 179.73 2gri h VAL 62 N -0.12 0.78 -0.38 0.00 -1.51 -1.82 -1.65 116.25 111.56 2gri h VAL 62 Ca -0.16 -0.21 0.05 0.00 -1.23 0.00 0.00 66.70 65.15 2gri h VAL 62 Cb 1.72 0.11 -0.05 0.00 -2.13 0.00 0.00 31.29 30.94 2gri h VAL 62 CO 0.18 0.11 0.10 0.58 -1.23 0.00 0.00 177.57 177.32 2gri h VAL 63 N 0.62 0.85 -0.06 7.19 2.07 -1.80 0.18 116.25 125.30 2gri h VAL 63 Ca 0.41 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.89 2gri h VAL 63 Cb 0.52 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 2gri h VAL 63 CO -0.32 0.04 -0.41 0.11 0.02 0.00 0.00 177.57 177.01 2gri h LYS 64 N 0.24 -0.51 0.00 1.57 1.57 -1.38 -0.61 116.57 117.46 2gri h LYS 64 Ca 0.18 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.95 2gri h LYS 64 Cb 0.18 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2gri h LYS 64 CO -0.21 -0.34 -0.22 1.15 -0.57 0.00 0.00 179.45 179.27 2gri h THR 65 N -0.53 1.00 -1.61 -0.16 2.02 -1.28 -2.90 112.91 109.45 2gri h THR 65 Ca 0.06 -0.78 -0.70 0.00 0.77 0.00 0.00 66.41 65.76 2gri h THR 65 Cb 0.63 1.44 -0.26 0.00 -1.74 0.00 0.00 68.15 68.22 2gri h THR 65 CO -0.35 0.21 0.92 0.18 0.37 0.00 0.00 175.52 176.85 2gri n LEU 66 N -4.05 7.40 -1.80 2.58 4.32 0.61 -4.45 117.00 121.60 2gri n LEU 66 Ca -0.02 -4.56 -0.08 0.00 -0.02 0.00 0.00 56.01 51.32 2gri n LEU 66 Cb 0.29 -1.07 0.07 0.00 -1.62 0.00 0.00 43.42 41.09 2gri n LEU 66 CO 0.35 1.67 0.17 0.00 -1.22 0.00 0.00 177.39 178.36 2gri n GLN 67 N -0.40 2.29 -0.02 3.23 1.13 -0.92 -4.83 117.38 117.86 2gri n GLN 67 Ca 0.54 -3.56 -0.13 0.00 -1.94 0.00 0.00 57.00 51.91 2gri n GLN 67 Cb 0.38 -1.70 -0.10 0.00 0.11 0.00 0.00 30.24 28.93 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 1.85 0.03 -0.51 -1.09 0.13 -1.85 -3.42 132.00 127.15 2gri h PRO 68 Ca 0.10 -0.02 -0.30 0.00 -0.87 0.00 0.00 66.00 64.91 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 0.37 0.51 -0.64 1.33 -0.23 0.00 0.00 178.00 179.34 2gri n VAL 69 N -4.83 -0.12 0.20 1.56 0.24 -1.26 -4.97 118.33 109.15 2gri n VAL 69 Ca -0.08 -2.21 0.18 0.00 -2.04 0.00 0.00 64.34 60.18 2gri n VAL 69 Cb 0.26 0.81 0.83 0.00 -1.47 0.00 0.00 33.84 34.27 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 3.55 0.00 -0.05 -1.34 4.64 -1.88 0.42 113.55 118.88 2gri h SER 70 Ca -0.07 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.26 2gri h SER 70 Cb 1.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2gri h SER 70 CO 0.30 0.00 0.11 0.44 -0.87 0.00 0.00 176.83 176.81 2gri h ASP 71 N 0.00 0.00 0.05 4.97 3.32 -1.97 -2.15 116.42 120.64 2gri h ASP 71 Ca 0.10 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.90 2gri h ASP 71 Cb 0.57 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 2gri h ASP 71 CO -0.00 0.00 -1.29 -0.07 -1.72 0.00 0.00 179.24 176.16 2gri h LEU 72 N 0.00 0.17 -0.65 1.55 3.38 -1.31 -3.36 115.31 115.10 2gri h LEU 72 Ca 0.03 -0.72 0.12 0.00 0.09 0.00 0.00 57.88 57.40 2gri h LEU 72 Cb 0.25 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.86 2gri h LEU 72 CO -0.00 1.54 0.18 -0.07 0.09 0.00 0.00 178.44 180.18 2gri h LEU 73 N -0.64 0.09 -1.97 1.67 3.38 -1.45 0.22 115.31 116.61 2gri h LEU 73 Ca -0.31 0.11 0.18 0.00 0.09 0.00 0.00 57.88 57.94 2gri h LEU 73 Cb 1.52 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.37 2gri h LEU 73 CO -0.07 0.04 0.45 0.74 0.09 0.00 0.00 178.44 179.69 2gri h THR 74 N 0.32 0.70 0.00 0.22 2.02 -0.73 0.37 112.91 115.81 2gri h THR 74 Ca 0.34 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.51 2gri h THR 74 Cb 0.51 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2gri h THR 74 CO -0.40 0.00 -1.04 -0.46 0.37 0.00 0.00 175.52 174.00 2gri n ASN 75 N -4.36 0.84 -1.47 4.18 0.23 0.56 -3.81 115.26 111.43 2gri n ASN 75 Ca 0.12 0.32 0.05 0.00 -0.53 0.00 0.00 54.58 54.55 2gri n ASN 75 Cb 0.68 0.46 0.28 0.00 -2.08 0.00 0.00 39.78 39.13 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 -2.68 3.70 -2.90 -3.83 2.81 0.86 -4.88 117.12 110.20 2gri n MET 76 Ca -0.01 -2.21 -0.13 0.00 -1.81 0.00 0.00 57.70 53.54 2gri n MET 76 Cb 0.56 -2.02 0.03 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 0.48 0.05 2.70 3.03 0.00 -0.85 -5.00 105.19 105.60 2gri n GLY 77 Ca 0.20 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.04 -0.23 -0.08 -0.61 1.01 0.94 -5.01 121.20 114.19 2gri s ILE 78 Ca 0.25 -0.10 -0.24 0.00 0.00 0.00 0.00 60.65 60.57 2gri s ILE 78 Cb -0.11 -0.61 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 2gri s ILE 78 CO 0.31 -0.21 0.71 -0.62 0.00 0.00 0.00 174.94 175.13 2gri s ASP 79 N 2.25 6.98 -0.05 3.58 -1.08 -1.26 -1.75 116.67 125.34 2gri s ASP 79 Ca 0.05 1.18 0.09 0.00 -0.52 0.00 0.00 52.55 53.35 2gri s ASP 79 Cb -0.16 -2.41 -0.24 0.00 -1.46 0.00 0.00 42.92 38.65 2gri s ASP 79 CO -0.10 -0.14 0.64 0.25 0.52 0.00 0.00 175.17 176.34 2gri h LEU 80 N 6.91 0.08 -1.03 -1.34 7.12 -1.93 -3.32 115.31 121.80 2gri h LEU 80 Ca -0.40 -0.17 -0.03 0.00 0.13 0.00 0.00 57.88 57.41 2gri h LEU 80 Cb 1.19 -0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 41.29 2gri h LEU 80 CO 0.76 1.15 -0.13 0.44 -0.13 0.00 0.00 178.44 180.53 2gri h ASP 81 N 0.01 0.00 0.87 1.25 5.19 -1.98 -2.97 116.42 118.80 2gri h ASP 81 Ca -0.30 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 55.91 2gri h ASP 81 Cb 2.01 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.50 2gri h ASP 81 CO 0.09 0.13 -0.96 1.05 -3.12 0.00 0.00 179.24 176.43 2gri h GLU 82 N 0.00 0.05 -0.35 3.56 4.11 -1.93 -3.32 114.58 116.69 2gri h GLU 82 Ca -0.00 -0.07 0.08 0.00 0.07 0.00 0.00 59.36 59.44 2gri h GLU 82 Cb 0.73 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.92 2gri h GLU 82 CO 0.02 0.96 -0.23 -1.49 0.07 0.00 0.00 179.01 178.34 2gri h TRP 83 N 0.02 -0.60 -0.69 2.06 4.06 -1.62 0.30 115.95 119.47 2gri h TRP 83 Ca -0.02 0.05 0.04 0.00 2.06 0.00 0.00 58.89 61.01 2gri h TRP 83 Cb 1.67 0.32 -0.05 0.00 -1.00 0.00 0.00 29.16 30.10 2gri h TRP 83 CO 0.01 -0.31 0.42 0.77 -3.56 0.00 0.00 178.44 175.78 2gri h SER 84 N -0.18 0.68 -0.88 -3.49 0.02 -1.70 -1.89 113.55 106.10 2gri h SER 84 Ca 0.18 0.01 -0.54 0.00 -0.84 0.00 0.00 61.79 60.60 2gri h SER 84 Cb 0.46 -0.14 -0.26 0.00 0.14 0.00 0.00 62.40 62.59 2gri h SER 84 CO -0.46 0.47 0.69 0.55 -1.14 0.00 0.00 176.83 176.93 2gri n VAL 85 N -4.69 3.22 -3.30 2.27 3.14 -0.47 -4.89 118.33 113.60 2gri n VAL 85 Ca 0.08 -2.21 -0.09 0.00 -2.96 0.00 0.00 64.34 59.15 2gri n VAL 85 Cb 0.11 -0.90 0.01 0.00 -1.06 0.00 0.00 33.84 32.00 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 -0.78 0.42 -3.66 1.55 0.00 0.92 -4.96 120.51 114.00 2gri n ALA 86 Ca 0.54 -0.84 -0.38 0.00 0.00 0.00 0.00 53.44 52.76 2gri n ALA 86 Cb 1.05 0.29 -0.11 0.00 0.00 0.00 0.00 19.45 20.68 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 -0.71 3.64 -0.23 0.00 2.01 -1.26 -5.05 115.64 114.04 2gri s THR 87 Ca 0.19 -1.88 -0.10 0.00 0.31 0.00 0.00 61.69 60.20 2gri s THR 87 Cb -0.01 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 2gri s THR 87 CO 0.12 -0.67 0.14 -0.36 -0.69 0.00 0.00 174.62 173.16 2gri s PHE 88 N 1.24 3.32 -0.09 4.92 0.40 -1.26 -4.87 117.98 121.64 2gri s PHE 88 Ca 0.06 0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.60 2gri s PHE 88 Cb -0.24 -2.23 -0.03 0.00 0.51 0.00 0.00 43.02 41.04 2gri s PHE 88 CO -0.02 0.11 -0.04 0.71 0.70 0.00 0.00 175.22 176.67 2gri s TYR 89 N 0.86 3.01 0.04 0.36 2.02 -0.91 -4.89 117.35 117.84 2gri s TYR 89 Ca 0.07 -0.00 -0.02 0.00 -0.37 0.00 0.00 57.07 56.75 2gri s TYR 89 Cb -0.13 -1.78 -0.04 0.00 -0.40 0.00 0.00 41.96 39.61 2gri s TYR 89 CO 0.03 0.29 0.22 -0.51 -1.57 0.00 0.00 175.55 174.01 2gri s LEU 90 N -0.59 4.36 0.00 -1.29 2.01 -1.26 -0.20 118.68 121.70 2gri s LEU 90 Ca 0.09 0.37 -0.09 0.00 0.01 0.00 0.00 54.13 54.51 2gri s LEU 90 Cb -0.12 -2.83 0.04 0.00 0.01 0.00 0.00 46.19 43.29 2gri s LEU 90 CO 0.02 0.20 0.61 0.49 1.01 0.00 0.00 176.35 178.69 2gri n PHE 91 N 0.62 -1.93 -3.91 0.29 3.72 -0.20 -4.21 117.46 111.84 2gri n PHE 91 Ca -0.08 -1.80 -0.09 0.00 -0.05 0.00 0.00 57.45 55.44 2gri n PHE 91 Cb 0.52 0.71 -0.02 0.00 -0.94 0.00 0.00 39.48 39.75 2gri n PHE 91 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2gri n ASP 92 N -1.54 -0.67 0.00 4.37 5.68 -0.67 -0.03 116.55 123.69 2gri n ASP 92 Ca -0.05 -2.08 0.10 0.00 -0.50 0.00 0.00 54.79 52.26 2gri n ASP 92 Cb 0.53 1.29 0.50 0.00 -1.14 0.00 0.00 41.12 42.29 2gri n ASP 92 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2gri n ASP 93 N -1.95 0.00 -0.92 -1.12 5.68 -1.26 -2.21 116.55 114.76 2gri n ASP 93 Ca 0.01 0.08 0.11 0.00 -0.50 0.00 0.00 54.79 54.50 2gri n ASP 93 Cb 0.33 -0.32 0.26 0.00 -1.14 0.00 0.00 41.12 40.25 2gri n ASP 93 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gri n ALA 94 N -1.32 2.46 -2.70 2.12 0.00 -1.26 -4.94 120.51 114.87 2gri n ALA 94 Ca 0.09 -0.79 -0.14 0.00 0.00 0.00 0.00 53.44 52.59 2gri n ALA 94 Cb 0.17 -0.95 0.02 0.00 0.00 0.00 0.00 19.45 18.70 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 1.36 -0.11 3.08 0.00 0.00 -0.94 -5.02 105.19 103.56 2gri n GLY 95 Ca 0.18 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 -5.22 0.58 -1.18 1.61 -1.05 -1.26 -4.94 118.70 107.24 2gri s GLU 96 Ca 0.18 -1.11 -0.13 0.00 -0.15 0.00 0.00 54.97 53.75 2gri s GLU 96 Cb -0.08 0.12 0.18 0.00 -0.44 0.00 0.00 34.13 33.91 2gri s GLU 96 CO 0.22 -0.08 1.37 -2.00 0.95 0.00 0.00 175.26 175.72 2gri s GLU 97 N -3.38 4.09 0.45 -4.83 2.12 -1.26 -1.68 118.70 114.21 2gri s GLU 97 Ca 0.03 -2.64 0.03 0.00 0.36 0.00 0.00 54.97 52.74 2gri s GLU 97 Cb 0.04 -4.98 -0.01 0.00 0.26 0.00 0.00 34.13 29.43 2gri s GLU 97 CO -0.07 -1.69 0.11 0.09 -0.54 0.00 0.00 175.26 173.15 2gri n ASN 98 N 5.25 1.88 -3.12 -1.70 3.02 -1.26 -4.95 115.26 114.38 2gri n ASN 98 Ca 0.34 -3.23 -0.31 0.00 -0.03 0.00 0.00 54.58 51.36 2gri n ASN 98 Cb 0.42 0.85 -0.02 0.00 -0.61 0.00 0.00 39.78 40.42 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 -1.04 3.72 -0.84 3.10 -1.74 -1.26 -4.66 117.46 114.74 2gri n PHE 99 Ca -0.10 -3.61 0.00 0.00 -0.56 0.00 0.00 57.45 53.17 2gri n PHE 99 Cb 0.63 -0.68 0.00 0.00 1.52 0.00 0.00 39.48 40.95 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 -0.20 -0.06 -0.20 5.98 2.88 -1.26 -4.88 113.62 115.87 2gri n SER 100 Ca 0.35 -0.84 0.28 0.00 -1.33 0.00 0.00 58.87 57.33 2gri n SER 100 Cb 0.36 0.00 0.70 0.00 -0.75 0.00 0.00 64.21 64.52 2gri n SER 100 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2gri h SER 101 N -0.06 0.05 -3.63 -3.46 0.87 -1.97 -3.39 113.55 101.96 2gri h SER 101 Ca 0.00 0.01 -0.35 0.00 -1.23 0.00 0.00 61.79 60.22 2gri h SER 101 Cb 0.00 -0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 61.64 2gri h SER 101 CO 0.00 0.02 -0.75 -0.60 -0.53 0.00 0.00 176.83 174.96 2gri s ARG 102 N -5.03 0.45 -0.25 2.24 3.52 -1.26 -3.21 118.95 115.41 2gri s ARG 102 Ca -0.05 -0.06 -0.00 0.00 -0.13 0.00 0.00 55.73 55.49 2gri s ARG 102 Cb 0.22 -0.52 0.07 0.00 -1.56 0.00 0.00 34.95 33.16 2gri s ARG 102 CO 0.78 -0.03 0.01 1.41 -0.81 0.00 0.00 175.30 176.65 2gri s MET 103 N 0.57 1.16 0.65 5.12 1.75 0.11 -4.60 119.30 124.06 2gri s MET 103 Ca -0.06 -0.94 -0.11 0.00 -1.25 0.00 0.00 55.69 53.33 2gri s MET 103 Cb -0.10 -2.38 -0.02 0.00 2.84 0.00 0.00 34.83 35.17 2gri s MET 103 CO -0.01 -0.73 1.05 0.71 -0.65 0.00 0.00 175.02 175.40 2gri s TYR 104 N 1.52 3.49 -0.52 4.11 2.02 0.95 -3.85 117.35 125.07 2gri s TYR 104 Ca 0.00 1.24 -0.02 0.00 -0.37 0.00 0.00 57.07 57.92 2gri s TYR 104 Cb -0.18 -2.83 0.14 0.00 -0.40 0.00 0.00 41.96 38.69 2gri s TYR 104 CO -0.11 -0.89 0.32 0.00 -1.57 0.00 0.00 175.55 173.30 2gri s SER 106 N 1.08 7.11 0.00 0.00 1.04 0.71 -4.17 113.70 119.47 2gri s SER 106 Ca 0.13 1.56 0.29 0.00 0.48 0.00 0.00 55.95 58.41 2gri s SER 106 Cb -0.22 -2.48 1.22 0.00 0.10 0.00 0.00 66.02 64.64 2gri s SER 106 CO -0.04 -0.06 1.84 2.22 0.98 0.00 0.00 173.24 178.19 2gri n PHE 107 N 0.44 0.00 -4.26 5.02 1.16 -1.26 -2.15 117.46 116.41 2gri n PHE 107 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.32 2gri n PHE 107 Cb 0.51 -0.09 -0.09 0.00 -1.61 0.00 0.00 39.48 38.20 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 -2.27 2.72 0.96 2.97 1.13 -1.26 -4.91 117.35 116.69 2gri s TYR 108 Ca 0.34 -0.19 -0.12 0.00 -1.41 0.00 0.00 57.07 55.69 2gri s TYR 108 Cb 0.20 -1.31 0.17 0.00 -1.10 0.00 0.00 41.96 39.92 2gri s TYR 108 CO 0.42 0.52 1.09 -1.25 -2.51 0.00 0.00 175.55 173.83 2gri s PRO 109 N -2.94 0.71 -0.02 -3.49 0.04 -1.26 -4.68 135.00 123.37 2gri s PRO 109 Ca 0.26 0.62 -0.25 0.00 0.04 0.00 0.00 61.00 61.68 2gri s PRO 109 Cb -0.09 -1.76 -0.20 0.00 0.04 0.00 0.00 34.50 32.50 2gri s PRO 109 CO 0.17 -2.57 1.27 -1.00 0.04 0.00 0.00 177.00 174.91 2gri h PRO 110 N -1.78 0.05 0.00 0.56 0.13 -1.99 -3.47 132.00 125.50 2gri h PRO 110 Ca -0.53 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 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 0.52 0.00 -0.25 -0.23 0.00 0.00 178.00 178.61 2gri n ASP 111 N -4.82 0.00 0.00 1.44 8.00 -1.26 -5.12 116.55 114.79 2gri n ASP 111 Ca -0.08 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.50 2gri n ASP 111 Cb 0.27 0.00 0.49 0.00 -0.02 0.00 0.00 41.12 41.86 2gri n ASP 111 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02