#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 0.76 -5.68 0.00 0.13 -1.97 -3.48 132.00 121.76 2gri h PRO 2 Ca 0.00 -0.40 -0.43 0.00 -0.87 0.00 0.00 66.00 64.30 2gri h PRO 2 Cb 0.00 0.01 0.02 0.00 0.13 0.00 0.00 31.00 31.16 2gri h PRO 2 CO 0.00 1.03 -0.68 -0.89 -0.23 0.00 0.00 178.00 177.23 2gri n ILE 3 N -4.04 -2.10 -0.78 -3.56 5.41 -1.26 -0.09 119.36 112.94 2gri n ILE 3 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 2gri n ILE 3 Cb 0.54 -3.10 0.00 0.00 -0.71 0.00 0.00 39.64 36.36 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 -4.49 -0.59 0.00 0.38 -0.00 -1.22 -3.94 118.16 108.29 2gri n LYS 4 Ca -0.01 0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 2gri n LYS 4 Cb 0.56 -4.19 0.00 0.00 -0.00 0.00 0.00 35.03 31.40 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 -1.21 1.93 3.88 2.58 0.00 0.87 -5.00 105.19 108.23 2gri n GLY 5 Ca 0.00 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 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 4.19 0.37 1.61 1.01 -1.25 -4.90 120.40 121.43 2gri s VAL 6 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.67 2gri s VAL 6 Cb 0.00 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2gri s VAL 6 CO 0.00 -0.92 0.00 0.41 0.00 0.00 0.00 175.10 174.59 2gri n THR 7 N -2.84 -2.73 -3.68 3.92 -1.04 -1.26 -4.91 114.28 101.73 2gri n THR 7 Ca 0.06 1.23 -0.09 0.00 -2.04 0.00 0.00 64.05 63.21 2gri n THR 7 Cb 0.55 -1.85 -0.10 0.00 -1.82 0.00 0.00 70.33 67.12 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 -4.10 -0.73 0.00 -1.42 -0.71 -1.26 -4.88 117.98 104.89 2gri s PHE 8 Ca 0.00 1.50 0.00 0.00 -1.04 0.00 0.00 56.93 57.39 2gri s PHE 8 Cb 0.00 0.36 0.00 0.00 -1.21 0.00 0.00 43.02 42.17 2gri s PHE 8 CO 0.00 -0.40 0.00 0.41 -1.34 0.00 0.00 175.22 173.89 2gri n GLY 9 N 4.39 0.61 0.03 1.99 0.00 -1.26 -5.06 105.19 105.89 2gri n GLY 9 Ca -0.21 -0.35 -0.03 0.00 0.00 0.00 0.00 46.02 45.42 2gri n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gri n GLU 10 N -0.66 0.19 0.00 1.61 -0.58 -1.26 -5.03 120.64 114.90 2gri n GLU 10 Ca 0.00 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 2gri n GLU 10 Cb 0.28 -0.93 0.00 0.00 -0.57 0.00 0.00 31.44 30.23 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 -3.21 0.00 -3.73 1.62 -0.08 -1.26 -5.18 116.55 104.71 2gri n ASP 11 Ca -0.04 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.25 2gri n ASP 11 Cb 0.17 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.63 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 -0.94 0.00 0.59 5.18 -1.32 -1.26 -5.08 115.64 112.81 2gri s THR 12 Ca 0.00 -0.21 -0.09 0.00 -1.21 0.00 0.00 61.69 60.18 2gri s THR 12 Cb 0.00 -2.67 -0.02 0.00 -1.51 0.00 0.00 72.50 68.29 2gri s THR 12 CO 0.00 0.00 0.96 -0.69 -2.21 0.00 0.00 174.62 172.68 2gri s VAL 13 N -2.14 4.44 -1.48 5.08 1.01 -1.26 -2.69 120.40 123.35 2gri s VAL 13 Ca 0.24 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.76 2gri s VAL 13 Cb 0.01 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2gri s VAL 13 CO -0.01 -0.91 0.00 0.79 0.00 0.00 0.00 175.10 174.97 2gri n TRP 14 N -2.64 0.00 0.02 5.22 7.02 -1.26 -4.64 117.44 121.16 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 0.55 -2.84 0.00 0.00 -2.42 0.00 0.00 31.31 26.60 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 -1.63 0.00 -0.05 -0.99 -0.58 -1.25 -4.92 120.64 111.23 2gri n GLU 15 Ca -0.14 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.61 2gri n GLU 15 Cb 0.58 -0.03 -0.15 0.00 -0.57 0.00 0.00 31.44 31.27 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 -2.65 0.58 0.17 2.62 3.14 -1.10 -4.36 118.33 116.74 2gri n VAL 16 Ca 0.00 -0.60 0.07 0.00 -2.96 0.00 0.00 64.34 60.85 2gri n VAL 16 Cb 0.02 -0.22 0.56 0.00 -1.06 0.00 0.00 33.84 33.15 2gri n VAL 16 CO 0.00 0.00 0.00 0.06 -6.46 0.00 0.00 176.83 170.43 2gri h GLN 17 N 0.00 0.18 -3.23 1.45 3.07 -1.90 -3.42 115.11 111.26 2gri h GLN 17 Ca -0.23 -0.01 -0.18 0.00 0.09 0.00 0.00 58.65 58.32 2gri h GLN 17 Cb 1.47 -0.04 0.06 0.00 0.08 0.00 0.00 27.48 29.05 2gri h GLN 17 CO 0.01 0.12 -0.31 0.41 0.09 0.00 0.00 178.83 179.16 2gri n GLY 18 N -1.50 0.26 3.65 0.06 0.00 -1.26 -3.42 105.19 102.98 2gri n GLY 18 Ca -0.01 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.15 0.26 0.27 1.61 2.02 -1.26 -2.77 117.35 114.33 2gri s TYR 19 Ca 0.25 -0.65 -0.03 0.00 -0.37 0.00 0.00 57.07 56.27 2gri s TYR 19 Cb -0.11 0.32 0.01 0.00 -0.40 0.00 0.00 41.96 41.78 2gri s TYR 19 CO 0.33 -1.08 0.40 1.63 -1.57 0.00 0.00 175.55 175.26 2gri n LYS 20 N -0.41 0.58 -3.94 -0.62 4.01 0.80 -4.61 118.16 113.97 2gri n LYS 20 Ca -0.02 -2.02 -0.28 0.00 -0.51 0.00 0.00 58.31 55.48 2gri n LYS 20 Cb 0.61 2.02 -0.17 0.00 -0.51 0.00 0.00 35.03 36.99 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 -2.61 2.37 -0.11 4.39 0.01 -1.26 -2.41 114.94 115.31 2gri s ASN 21 Ca 0.20 -0.38 0.03 0.00 -0.71 0.00 0.00 52.86 52.00 2gri s ASN 21 Cb -0.01 -0.94 0.01 0.00 0.41 0.00 0.00 41.25 40.71 2gri s ASN 21 CO 0.15 -0.11 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.73 2gri s VAL 22 N 1.64 1.88 0.16 1.60 1.01 0.63 -4.33 120.40 122.99 2gri s VAL 22 Ca 0.05 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.18 2gri s VAL 22 Cb -0.13 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 2gri s VAL 22 CO -0.09 0.52 0.21 -0.13 0.00 0.00 0.00 175.10 175.61 2gri s ARG 23 N 0.67 3.15 -0.11 2.72 1.81 0.99 -0.09 118.95 128.10 2gri s ARG 23 Ca -0.12 -0.75 0.00 0.00 -1.72 0.00 0.00 55.73 53.14 2gri s ARG 23 Cb -0.16 -2.79 0.02 0.00 -0.45 0.00 0.00 34.95 31.57 2gri s ARG 23 CO 0.02 0.50 -0.10 0.42 -0.68 0.00 0.00 175.30 175.46 2gri s ILE 24 N -1.76 1.14 -0.44 1.52 -1.09 0.88 -0.46 121.20 121.00 2gri s ILE 24 Ca 0.33 -0.39 0.06 0.00 -2.23 0.00 0.00 60.65 58.42 2gri s ILE 24 Cb -0.10 -1.12 0.18 0.00 -1.58 0.00 0.00 42.46 39.85 2gri s ILE 24 CO 0.26 0.38 0.70 -0.89 -1.23 0.00 0.00 174.94 174.16 2gri s THR 25 N 1.45 -0.93 0.00 2.92 2.01 -1.26 -4.69 115.64 115.14 2gri s THR 25 Ca 0.01 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.70 2gri s THR 25 Cb -0.13 0.00 0.00 0.00 0.01 0.00 0.00 72.50 72.38 2gri s THR 25 CO -0.06 0.00 0.00 0.33 -0.69 0.00 0.00 174.62 174.20 2gri n PHE 26 N 3.88 0.00 0.00 4.92 7.35 -1.26 -4.86 117.46 127.48 2gri n PHE 26 Ca 0.13 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.82 2gri n PHE 26 Cb 0.57 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.41 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 -1.14 0.00 0.07 -4.13 1.02 -1.26 -5.02 120.64 110.17 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 0.14 0.00 -4.62 4.32 -1.26 -4.86 117.00 110.72 2gri n LEU 28 Ca 0.00 0.24 -0.18 0.00 -0.02 0.00 0.00 56.01 56.05 2gri n LEU 28 Cb 0.00 0.11 -0.04 0.00 -1.62 0.00 0.00 43.42 41.87 2gri n LEU 28 CO 0.00 -0.61 -0.12 -0.67 -1.22 0.00 0.00 177.39 174.77 2gri n ASP 29 N -3.17 1.78 -0.03 -1.43 -0.08 -1.26 -5.06 116.55 107.30 2gri n ASP 29 Ca 0.00 -2.38 -0.04 0.00 -1.51 0.00 0.00 54.79 50.87 2gri n ASP 29 Cb 0.06 0.49 -0.02 0.00 2.34 0.00 0.00 41.12 43.99 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 -0.66 0.12 -0.07 -0.67 -0.58 -1.26 -4.48 120.64 113.04 2gri n GLU 30 Ca -0.07 0.03 -0.14 0.00 -0.42 0.00 0.00 57.16 56.56 2gri n GLU 30 Cb 0.39 -1.03 -0.14 0.00 -0.57 0.00 0.00 31.44 30.09 2gri n GLU 30 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2gri n ARG 31 N -2.74 0.68 -2.40 3.49 5.12 -1.26 -4.48 116.66 115.07 2gri n ARG 31 Ca -0.09 0.16 -0.31 0.00 -1.93 0.00 0.00 57.85 55.68 2gri n ARG 31 Cb 0.59 -1.62 0.01 0.00 -1.16 0.00 0.00 32.46 30.28 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 -3.11 2.89 -0.10 1.55 0.24 -1.26 -4.65 118.33 113.89 2gri n VAL 32 Ca -0.33 -4.90 -0.12 0.00 -2.04 0.00 0.00 64.34 56.95 2gri n VAL 32 Cb 1.06 -1.29 -0.11 0.00 -1.47 0.00 0.00 33.84 32.04 2gri n VAL 32 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2gri n ASP 33 N -0.45 1.89 0.27 -1.34 5.75 -1.26 -4.40 116.55 117.01 2gri n ASP 33 Ca 0.42 -0.08 0.15 0.00 -0.01 0.00 0.00 54.79 55.27 2gri n ASP 33 Cb 0.51 0.07 0.75 0.00 -1.03 0.00 0.00 41.12 41.43 2gri n ASP 33 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 2gri h LYS 34 N 0.00 0.00 0.00 0.11 -0.00 -1.90 -1.97 116.57 112.81 2gri h LYS 34 Ca -0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.16 2gri h LYS 34 Cb 1.82 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 34.05 2gri h LYS 34 CO -0.04 0.09 -0.12 0.28 -0.00 0.00 0.00 179.45 179.66 2gri h VAL 35 N 0.00 0.40 -0.26 0.07 2.07 -1.90 0.26 116.25 116.89 2gri h VAL 35 Ca -0.00 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2gri h VAL 35 Cb 0.38 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2gri h VAL 35 CO 0.01 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.72 2gri n LEU 36 N -3.40 2.68 0.00 2.57 -0.00 -0.78 -3.45 117.00 114.63 2gri n LEU 36 Ca -0.01 -1.92 0.00 0.00 -0.00 0.00 0.00 56.01 54.08 2gri n LEU 36 Cb 0.30 -0.17 0.00 0.00 -0.00 0.00 0.00 43.42 43.55 2gri n LEU 36 CO 0.30 0.66 -0.48 0.59 -0.00 0.00 0.00 177.39 178.46 2gri n ASN 37 N 0.34 4.79 -0.01 1.45 3.02 -0.94 -4.02 115.26 119.89 2gri n ASN 37 Ca 0.09 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.67 2gri n ASN 37 Cb 0.38 0.46 -0.05 0.00 -0.61 0.00 0.00 39.78 39.96 2gri n ASN 37 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2gri n GLU 38 N -1.98 0.49 0.00 3.52 -0.00 0.86 -4.23 120.64 119.31 2gri n GLU 38 Ca 0.00 -0.05 0.10 0.00 -0.00 0.00 0.00 57.16 57.20 2gri n GLU 38 Cb 0.48 -1.15 -0.03 0.00 -0.00 0.00 0.00 31.44 30.74 2gri n GLU 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2gri n LYS 39 N -1.77 1.20 -2.66 3.44 4.81 -1.18 -4.82 118.16 117.17 2gri n LYS 39 Ca -0.02 -0.66 -0.01 0.00 -0.87 0.00 0.00 58.31 56.76 2gri n LYS 39 Cb 0.22 -1.40 0.02 0.00 0.02 0.00 0.00 35.03 33.90 2gri n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2gri n SER 41 N 3.01 2.68 -4.77 0.00 3.41 -1.26 -4.03 113.62 112.66 2gri n SER 41 Ca 0.07 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.30 2gri n SER 41 Cb 0.66 0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 64.62 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 -1.64 4.89 0.04 -3.33 0.11 -1.26 -0.08 120.40 119.13 2gri s VAL 42 Ca 0.00 1.26 -0.04 0.00 -2.93 0.00 0.00 61.98 60.27 2gri s VAL 42 Cb 0.00 -3.94 -0.02 0.00 -1.53 0.00 0.00 36.38 30.90 2gri s VAL 42 CO 0.00 0.43 0.05 -0.31 -3.33 0.00 0.00 175.10 171.94 2gri s TYR 43 N -0.25 0.29 0.18 1.54 1.51 0.87 -4.97 117.35 116.53 2gri s TYR 43 Ca 0.31 -0.67 -0.03 0.00 -1.01 0.00 0.00 57.07 55.67 2gri s TYR 43 Cb -0.18 -0.21 -0.05 0.00 -0.11 0.00 0.00 41.96 41.41 2gri s TYR 43 CO 0.17 -0.36 0.39 0.99 -1.11 0.00 0.00 175.55 175.64 2gri s THR 44 N -2.91 5.18 -0.09 -0.71 2.01 -1.26 -0.27 115.64 117.59 2gri s THR 44 Ca -0.02 -0.18 -0.06 0.00 0.31 0.00 0.00 61.69 61.73 2gri s THR 44 Cb 0.01 -3.69 0.03 0.00 0.01 0.00 0.00 72.50 68.86 2gri s THR 44 CO -0.06 -0.10 0.23 0.54 -0.69 0.00 0.00 174.62 174.53 2gri s VAL 45 N -1.80 -0.02 0.69 3.82 0.11 -1.01 -4.91 120.40 117.27 2gri s VAL 45 Ca 0.40 0.08 -0.12 0.00 -2.93 0.00 0.00 61.98 59.41 2gri s VAL 45 Cb -0.11 -0.34 0.17 0.00 -1.53 0.00 0.00 36.38 34.57 2gri s VAL 45 CO 0.27 0.03 0.65 -1.84 -3.33 0.00 0.00 175.10 170.88 2gri n GLU 46 N 3.62 -2.07 -0.00 1.54 0.28 -1.26 -0.14 120.64 122.61 2gri n GLU 46 Ca -0.19 -1.03 0.14 0.00 -0.16 0.00 0.00 57.16 55.92 2gri n GLU 46 Cb 0.55 -0.93 0.60 0.00 1.43 0.00 0.00 31.44 33.10 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 -4.01 1.22 -3.36 -1.84 2.88 -1.11 -4.37 113.62 103.03 2gri n SER 47 Ca 0.09 -1.41 -0.26 0.00 -1.33 0.00 0.00 58.87 55.96 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 3.68 3.13 0.46 0.00 -1.26 -5.08 105.19 107.25 2gri n GLY 48 Ca 0.20 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.00 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 0.59 0.19 2.61 2.01 -1.26 -5.17 115.64 112.99 2gri s THR 49 Ca 0.36 -1.65 0.08 0.00 0.31 0.00 0.00 61.69 60.79 2gri s THR 49 Cb 0.13 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 2gri s THR 49 CO -0.08 -0.74 -0.05 -1.61 -0.69 0.00 0.00 174.62 171.45 2gri s GLU 50 N -3.13 2.20 0.43 4.92 0.41 -1.26 -5.00 118.70 117.27 2gri s GLU 50 Ca 0.04 -1.23 0.30 0.00 -0.41 0.00 0.00 54.97 53.66 2gri s GLU 50 Cb 0.01 -2.22 1.52 0.00 -1.78 0.00 0.00 34.13 31.65 2gri s GLU 50 CO -0.04 0.43 1.90 0.28 -0.49 0.00 0.00 175.26 177.35 2gri h VAL 51 N 2.55 0.00 0.00 2.63 2.07 -1.95 -0.91 116.25 120.63 2gri h VAL 51 Ca -0.46 -0.08 -0.13 0.00 0.82 0.00 0.00 66.70 66.84 2gri h VAL 51 Cb 1.21 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 2gri h VAL 51 CO 0.56 0.00 -1.41 1.07 0.02 0.00 0.00 177.57 177.81 2gri n THR 52 N -2.56 1.00 -0.05 2.57 5.66 -1.26 -4.06 114.28 115.58 2gri n THR 52 Ca -0.01 -0.66 -0.01 0.00 -3.05 0.00 0.00 64.05 60.32 2gri n THR 52 Cb 0.10 -0.59 0.27 0.00 -1.55 0.00 0.00 70.33 68.55 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 0.64 0.00 1.09 4.57 -1.56 -1.88 114.58 117.44 2gri h GLU 53 Ca -0.14 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 57.88 2gri h GLU 53 Cb 1.45 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.94 2gri h GLU 53 CO 0.03 0.61 -0.19 0.74 -1.18 0.00 0.00 179.01 179.03 2gri h PHE 54 N 0.62 0.00 0.00 0.92 0.04 -1.70 -2.81 116.94 114.01 2gri h PHE 54 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 2gri h PHE 54 Cb 0.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.43 2gri h PHE 54 CO 0.01 0.19 0.00 0.00 -0.60 0.00 0.00 178.31 177.91 2gri h ALA 55 N 1.81 1.00 -0.39 2.45 0.00 -1.49 0.63 119.26 123.27 2gri h ALA 55 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gri h ALA 55 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2gri h ALA 55 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 2gri n VAL 57 N 0.41 0.00 0.18 0.00 0.31 0.04 -4.66 118.33 114.62 2gri n VAL 57 Ca 0.17 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.57 2gri n VAL 57 Cb 0.62 -0.67 0.10 0.00 -0.91 0.00 0.00 33.84 32.98 2gri n VAL 57 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2gri h VAL 58 N 0.00 0.41 -0.18 2.52 2.07 -1.33 -0.61 116.25 119.14 2gri h VAL 58 Ca 0.00 -1.58 -0.12 0.00 0.82 0.00 0.00 66.70 65.82 2gri h VAL 58 Cb 0.99 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 2gri h VAL 58 CO 0.00 0.24 -0.40 0.00 0.02 0.00 0.00 177.57 177.42 2gri h ALA 59 N 1.76 0.98 0.03 1.67 0.00 -1.76 -3.08 119.26 118.86 2gri h ALA 59 Ca -0.00 -0.42 -0.38 0.00 0.00 0.00 0.00 54.91 54.11 2gri h ALA 59 Cb 1.18 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 2gri h ALA 59 CO 0.03 0.62 -2.31 0.39 0.00 0.00 0.00 179.25 177.98 2gri n GLU 60 N -4.03 0.68 -0.11 0.00 -0.58 -1.22 -3.86 120.64 111.53 2gri n GLU 60 Ca -0.01 0.16 0.26 0.00 -0.42 0.00 0.00 57.16 57.14 2gri n GLU 60 Cb 0.49 -1.58 0.72 0.00 -0.57 0.00 0.00 31.44 30.50 2gri n GLU 60 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2gri h ALA 61 N 0.24 2.67 0.00 0.62 0.00 -1.18 0.28 119.26 121.90 2gri h ALA 61 Ca -0.52 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.12 2gri h ALA 61 Cb 1.99 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.80 2gri h ALA 61 CO -0.02 -0.97 -1.45 0.28 0.00 0.00 0.00 179.25 177.09 2gri h VAL 62 N 0.00 0.92 0.43 0.00 2.07 -1.72 -3.24 116.25 114.71 2gri h VAL 62 Ca 0.36 -2.64 -0.02 0.00 0.82 0.00 0.00 66.70 65.22 2gri h VAL 62 Cb 1.52 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 33.70 2gri h VAL 62 CO -0.00 0.52 -0.21 0.58 0.02 0.00 0.00 177.57 178.48 2gri h VAL 63 N 0.00 0.00 -0.02 2.57 2.07 -0.61 0.25 116.25 120.50 2gri h VAL 63 Ca -0.19 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 66.94 2gri h VAL 63 Cb 1.84 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2gri h VAL 63 CO 0.08 0.00 0.11 0.07 0.02 0.00 0.00 177.57 177.85 2gri h LYS 64 N -0.97 0.00 0.00 1.57 2.10 -1.39 0.97 116.57 118.84 2gri h LYS 64 Ca -0.06 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.51 2gri h LYS 64 Cb 0.44 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 2gri h LYS 64 CO 0.10 0.00 -1.40 2.41 -2.00 0.00 0.00 179.45 178.55 2gri n THR 65 N -3.19 0.75 -3.06 0.07 -1.04 -1.19 -4.43 114.28 102.19 2gri n THR 65 Ca -0.02 -0.61 -0.29 0.00 -2.04 0.00 0.00 64.05 61.09 2gri n THR 65 Cb 0.18 -0.42 -0.04 0.00 -1.82 0.00 0.00 70.33 68.23 2gri n THR 65 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2gri n LEU 66 N -2.68 4.69 -1.80 -4.42 7.94 0.86 -4.77 117.00 116.82 2gri n LEU 66 Ca -0.06 -5.56 -0.08 0.00 -1.11 0.00 0.00 56.01 49.20 2gri n LEU 66 Cb 0.69 -0.70 0.07 0.00 0.53 0.00 0.00 43.42 44.01 2gri n LEU 66 CO 0.42 2.20 0.17 0.00 -1.11 0.00 0.00 177.39 179.06 2gri n GLN 67 N 0.20 2.26 -0.01 1.96 1.13 -1.17 -4.82 117.38 116.94 2gri n GLN 67 Ca 0.32 -3.54 -0.13 0.00 -1.94 0.00 0.00 57.00 51.71 2gri n GLN 67 Cb 0.38 -1.68 -0.10 0.00 0.11 0.00 0.00 30.24 28.95 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 -0.02 -0.10 -1.09 0.13 -1.91 -3.42 132.00 127.43 2gri h PRO 68 Ca 0.09 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.98 2gri h PRO 68 Cb 1.40 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.38 2gri h PRO 68 CO 0.37 0.46 -0.51 1.33 -0.23 0.00 0.00 178.00 179.41 2gri n VAL 69 N -4.87 -0.03 0.48 1.56 0.24 -1.26 -4.97 118.33 109.49 2gri n VAL 69 Ca -0.08 -1.63 0.08 0.00 -2.04 0.00 0.00 64.34 60.67 2gri n VAL 69 Cb 0.25 1.35 0.36 0.00 -1.47 0.00 0.00 33.84 34.33 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 1.40 0.17 0.11 -1.34 3.41 -1.26 -2.43 113.62 113.69 2gri n SER 70 Ca 0.09 0.54 0.10 0.00 -0.26 0.00 0.00 58.87 59.34 2gri n SER 70 Cb 0.64 -0.58 0.46 0.00 -0.26 0.00 0.00 64.21 64.46 2gri n SER 70 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2gri n ASP 71 N -1.69 0.50 -0.00 4.04 5.75 -1.26 -1.61 116.55 122.28 2gri n ASP 71 Ca 0.03 0.65 0.10 0.00 -0.01 0.00 0.00 54.79 55.57 2gri n ASP 71 Cb 0.19 -0.75 -0.14 0.00 -1.03 0.00 0.00 41.12 39.39 2gri n ASP 71 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gri n LEU 72 N -2.09 0.51 0.06 -2.12 -0.00 -1.02 -4.26 117.00 108.08 2gri n LEU 72 Ca 0.01 -0.26 0.06 0.00 -0.00 0.00 0.00 56.01 55.81 2gri n LEU 72 Cb 0.16 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.53 2gri n LEU 72 CO 0.15 0.13 -0.18 0.18 -0.00 0.00 0.00 177.39 177.67 2gri n LEU 73 N -1.83 0.81 0.01 1.47 4.77 -0.63 -3.81 117.00 117.78 2gri n LEU 73 Ca 0.00 0.34 0.11 0.00 -0.03 0.00 0.00 56.01 56.43 2gri n LEU 73 Cb 0.43 0.02 0.49 0.00 -2.33 0.00 0.00 43.42 42.02 2gri n LEU 73 CO 0.43 -0.01 0.86 0.41 -1.33 0.00 0.00 177.39 177.75 2gri n THR 74 N -2.77 0.44 0.76 -5.08 -1.04 -0.89 -1.15 114.28 104.55 2gri n THR 74 Ca -0.05 0.10 0.11 0.00 -2.04 0.00 0.00 64.05 62.17 2gri n THR 74 Cb 0.70 -0.72 0.07 0.00 -1.82 0.00 0.00 70.33 68.57 2gri n THR 74 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 2gri n ASN 75 N -1.54 0.65 -0.01 8.00 0.23 -1.25 -4.09 115.26 117.25 2gri n ASN 75 Ca 0.05 -0.33 0.07 0.00 -0.53 0.00 0.00 54.58 53.85 2gri n ASN 75 Cb 0.27 0.63 -0.11 0.00 -2.08 0.00 0.00 39.78 38.49 2gri n ASN 75 CO 0.00 0.00 0.00 1.15 -0.93 0.00 0.00 177.26 177.48 2gri n MET 76 N -1.76 0.45 0.00 -3.83 0.00 -1.06 -5.01 117.12 105.92 2gri n MET 76 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 57.70 57.60 2gri n MET 76 Cb 0.39 -1.35 0.00 0.00 0.00 0.00 0.00 33.22 32.26 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 1.66 1.08 3.58 3.17 0.00 -0.90 -5.08 105.19 108.72 2gri n GLY 77 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.88 3.48 -0.07 -0.61 1.01 -0.30 -4.91 121.20 118.91 2gri s ILE 78 Ca 0.00 0.44 -0.20 0.00 0.00 0.00 0.00 60.65 60.89 2gri s ILE 78 Cb 0.00 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 2gri s ILE 78 CO 0.00 -0.59 0.57 -0.62 0.00 0.00 0.00 174.94 174.29 2gri s ASP 79 N 6.56 6.85 -0.06 3.58 -1.08 -1.26 -3.13 116.67 128.13 2gri s ASP 79 Ca 0.74 1.01 0.09 0.00 -0.52 0.00 0.00 52.55 53.87 2gri s ASP 79 Cb -0.18 -2.34 -0.24 0.00 -1.46 0.00 0.00 42.92 38.70 2gri s ASP 79 CO 0.29 0.01 0.60 -0.11 0.52 0.00 0.00 175.17 176.49 2gri n LEU 80 N 3.39 1.19 0.23 -1.34 -0.00 -1.26 -3.80 117.00 115.41 2gri n LEU 80 Ca -0.06 0.38 0.12 0.00 -0.00 0.00 0.00 56.01 56.45 2gri n LEU 80 Cb 0.51 -0.06 0.45 0.00 -0.00 0.00 0.00 43.42 44.32 2gri n LEU 80 CO 0.44 0.47 0.83 0.44 -0.00 0.00 0.00 177.39 179.58 2gri h ASP 81 N 0.01 0.00 0.87 1.96 5.19 -1.98 -3.00 116.42 119.47 2gri h ASP 81 Ca -0.31 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 55.89 2gri h ASP 81 Cb 2.02 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.51 2gri h ASP 81 CO 0.08 0.15 -0.96 1.05 -3.12 0.00 0.00 179.24 176.44 2gri h GLU 82 N 0.00 0.05 -0.79 3.56 4.11 -1.93 -3.25 114.58 116.33 2gri h GLU 82 Ca -0.00 -0.07 0.15 0.00 0.07 0.00 0.00 59.36 59.51 2gri h GLU 82 Cb 0.77 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.99 2gri h GLU 82 CO 0.02 0.97 0.52 -1.49 0.07 0.00 0.00 179.01 179.10 2gri h TRP 83 N 0.02 0.55 0.00 2.06 4.06 -1.62 0.22 115.95 121.24 2gri h TRP 83 Ca -0.03 0.02 -0.14 0.00 2.06 0.00 0.00 58.89 60.80 2gri h TRP 83 Cb 1.67 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 29.64 2gri h TRP 83 CO 0.01 0.20 -0.67 0.66 -3.56 0.00 0.00 178.44 175.08 2gri h SER 84 N 0.47 0.00 -0.79 -3.49 4.64 -1.69 -3.26 113.55 109.42 2gri h SER 84 Ca 0.39 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.15 2gri h SER 84 Cb 0.85 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.56 2gri h SER 84 CO -0.14 0.67 -0.33 1.33 -0.87 0.00 0.00 176.83 177.49 2gri n VAL 85 N -3.45 2.82 -3.56 0.95 0.24 0.49 -4.84 118.33 110.98 2gri n VAL 85 Ca 0.00 -3.80 0.00 0.00 -2.04 0.00 0.00 64.34 58.50 2gri n VAL 85 Cb 0.73 -1.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.00 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 -0.79 0.00 -3.92 2.33 0.00 0.37 -4.95 120.51 113.54 2gri n ALA 86 Ca 0.48 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.62 2gri n ALA 86 Cb 0.89 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.12 1.93 -0.44 0.00 2.01 -1.26 -5.06 115.64 112.70 2gri s THR 87 Ca 0.00 -2.28 -0.18 0.00 0.31 0.00 0.00 61.69 59.54 2gri s THR 87 Cb 0.00 -2.41 0.03 0.00 0.01 0.00 0.00 72.50 70.13 2gri s THR 87 CO 0.00 -0.67 0.51 -0.36 -0.69 0.00 0.00 174.62 173.41 2gri s PHE 88 N 0.86 3.13 -0.04 4.92 0.40 -1.26 -4.72 117.98 121.27 2gri s PHE 88 Ca 0.12 -0.38 -0.19 0.00 -0.60 0.00 0.00 56.93 55.88 2gri s PHE 88 Cb -0.20 -3.11 -0.05 0.00 0.51 0.00 0.00 43.02 40.17 2gri s PHE 88 CO -0.10 -0.80 0.53 0.71 0.70 0.00 0.00 175.22 176.26 2gri s TYR 89 N 2.32 3.64 0.30 0.36 2.02 -0.99 -4.48 117.35 120.52 2gri s TYR 89 Ca 0.14 1.08 -0.10 0.00 -0.37 0.00 0.00 57.07 57.82 2gri s TYR 89 Cb -0.17 -2.54 -0.07 0.00 -0.40 0.00 0.00 41.96 38.78 2gri s TYR 89 CO 0.14 0.34 0.64 -0.51 -1.57 0.00 0.00 175.55 174.59 2gri s LEU 90 N -0.09 4.04 0.31 -1.29 2.01 -1.26 -2.08 118.68 120.32 2gri s LEU 90 Ca 0.28 1.00 -0.11 0.00 0.01 0.00 0.00 54.13 55.31 2gri s LEU 90 Cb -0.17 -3.81 0.01 0.00 0.01 0.00 0.00 46.19 42.23 2gri s LEU 90 CO 0.15 -0.20 0.57 -0.36 1.01 0.00 0.00 176.35 177.52 2gri s PHE 91 N -2.04 0.44 0.38 0.29 0.08 0.51 -4.39 117.98 113.25 2gri s PHE 91 Ca 0.49 -0.85 0.04 0.00 0.12 0.00 0.00 56.93 56.73 2gri s PHE 91 Cb -0.11 0.32 -0.01 0.00 -0.57 0.00 0.00 43.02 42.65 2gri s PHE 91 CO 0.24 -1.19 0.14 -0.25 -0.10 0.00 0.00 175.22 174.07 2gri n ASP 92 N -0.91 1.14 0.08 1.36 9.92 0.28 -0.08 116.55 128.35 2gri n ASP 92 Ca -0.03 -3.03 0.09 0.00 -0.53 0.00 0.00 54.79 51.29 2gri n ASP 92 Cb 0.61 0.99 0.39 0.00 -0.64 0.00 0.00 41.12 42.47 2gri n ASP 92 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2gri n ASP 93 N -1.57 0.36 -1.06 -2.24 5.75 -1.26 -1.43 116.55 115.11 2gri n ASP 93 Ca -0.05 0.61 0.12 0.00 -0.01 0.00 0.00 54.79 55.45 2gri n ASP 93 Cb 0.57 -0.68 0.22 0.00 -1.03 0.00 0.00 41.12 40.20 2gri n ASP 93 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gri n ALA 94 N -1.66 2.44 -2.21 2.12 0.00 -1.26 -4.94 120.51 115.00 2gri n ALA 94 Ca 0.02 -0.89 -0.08 0.00 0.00 0.00 0.00 53.44 52.48 2gri n ALA 94 Cb 0.16 -0.89 -0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 1.44 0.04 3.28 0.00 0.00 -0.51 -5.03 105.19 104.42 2gri n GLY 95 Ca 0.18 -0.52 -0.17 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 -4.49 1.15 -1.13 1.61 -1.05 -1.26 -4.85 118.70 108.68 2gri s GLU 96 Ca 0.02 -1.43 -0.21 0.00 -0.15 0.00 0.00 54.97 53.20 2gri s GLU 96 Cb -0.01 -0.92 0.06 0.00 -0.44 0.00 0.00 34.13 32.83 2gri s GLU 96 CO 0.02 0.15 1.55 -1.21 0.95 0.00 0.00 175.26 176.72 2gri s GLU 97 N -3.33 3.75 0.26 -4.83 2.02 -1.26 -0.55 118.70 114.76 2gri s GLU 97 Ca 0.16 -1.50 0.04 0.00 0.02 0.00 0.00 54.97 53.70 2gri s GLU 97 Cb -0.01 -5.41 -0.06 0.00 0.10 0.00 0.00 34.13 28.75 2gri s GLU 97 CO 0.04 -2.21 -0.00 -0.80 0.02 0.00 0.00 175.26 172.31 2gri s ASN 98 N 4.62 2.15 -0.67 -0.19 0.01 -1.26 -4.89 114.94 114.71 2gri s ASN 98 Ca 0.49 -1.25 0.04 0.00 -0.71 0.00 0.00 52.86 51.42 2gri s ASN 98 Cb 0.01 -0.05 0.33 0.00 0.41 0.00 0.00 41.25 41.96 2gri s ASN 98 CO -0.03 -0.50 1.13 2.22 -1.51 0.00 0.00 177.10 178.41 2gri n PHE 99 N -0.51 3.79 -0.75 2.20 1.16 -1.26 -4.60 117.46 117.48 2gri n PHE 99 Ca -0.04 -3.70 0.00 0.00 -1.87 0.00 0.00 57.45 51.83 2gri n PHE 99 Cb 0.64 -0.64 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 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 -0.18 -0.06 -0.19 5.98 2.88 -1.26 -4.88 113.62 115.92 2gri n SER 100 Ca 0.34 -0.75 0.29 0.00 -1.33 0.00 0.00 58.87 57.42 2gri n SER 100 Cb 0.36 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.55 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 -0.06 0.00 -3.50 -3.46 0.02 -1.96 -3.40 113.55 101.19 2gri h SER 101 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 2gri h SER 101 Cb 0.00 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.28 2gri h SER 101 CO 0.00 0.00 -0.31 -0.60 -1.14 0.00 0.00 176.83 174.78 2gri s ARG 102 N -4.95 0.39 -0.06 3.45 3.52 -1.26 -0.01 118.95 120.04 2gri s ARG 102 Ca -0.05 0.66 0.03 0.00 -0.13 0.00 0.00 55.73 56.24 2gri s ARG 102 Cb 0.21 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.67 2gri s ARG 102 CO 0.76 -0.12 -0.15 0.00 -0.81 0.00 0.00 175.30 174.99 2gri s MET 103 N 0.91 1.78 0.40 5.12 0.23 0.40 -4.62 119.30 123.52 2gri s MET 103 Ca -0.06 -0.52 -0.23 0.00 -1.03 0.00 0.00 55.69 53.86 2gri s MET 103 Cb -0.06 -1.49 -0.11 0.00 -1.53 0.00 0.00 34.83 31.64 2gri s MET 103 CO -0.07 0.13 0.95 0.71 -2.03 0.00 0.00 175.02 174.71 2gri s TYR 104 N 0.36 3.43 -0.41 3.16 2.02 0.89 -4.14 117.35 122.66 2gri s TYR 104 Ca -0.10 1.66 0.01 0.00 -0.37 0.00 0.00 57.07 58.27 2gri s TYR 104 Cb -0.14 -2.88 0.11 0.00 -0.40 0.00 0.00 41.96 38.66 2gri s TYR 104 CO 0.03 -0.02 0.17 0.00 -1.57 0.00 0.00 175.55 174.16 2gri s SER 106 N 1.15 5.79 -0.07 0.00 1.04 -0.88 -4.41 113.70 116.32 2gri s SER 106 Ca 0.11 0.07 -0.14 0.00 0.48 0.00 0.00 55.95 56.47 2gri s SER 106 Cb -0.21 -1.63 -0.10 0.00 0.10 0.00 0.00 66.02 64.17 2gri s SER 106 CO -0.05 0.17 0.55 0.15 0.98 0.00 0.00 173.24 175.03 2gri h PHE 107 N 3.19 -0.22 -3.36 5.02 3.04 -1.86 -2.63 116.94 120.12 2gri h PHE 107 Ca -0.46 -0.01 -0.55 0.00 3.98 0.00 0.00 57.97 60.93 2gri h PHE 107 Cb 1.16 0.07 0.19 0.00 2.56 0.00 0.00 35.95 39.94 2gri h PHE 107 CO 0.61 0.08 -0.34 2.48 -2.02 0.00 0.00 178.31 179.11 2gri n TYR 108 N -4.92 -0.66 -1.18 0.41 4.11 -1.26 -4.60 117.16 109.06 2gri n TYR 108 Ca -0.06 0.34 -0.29 0.00 -0.00 0.00 0.00 57.90 57.89 2gri n TYR 108 Cb 0.20 -1.92 0.16 0.00 -0.00 0.00 0.00 39.34 37.78 2gri n TYR 108 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 2gri s PRO 109 N -3.04 0.78 0.00 -3.48 0.04 -1.26 -4.78 135.00 123.26 2gri s PRO 109 Ca 0.65 0.65 -0.24 0.00 0.04 0.00 0.00 61.00 62.10 2gri s PRO 109 Cb -0.32 -1.77 -0.18 0.00 0.04 0.00 0.00 34.50 32.27 2gri s PRO 109 CO 0.58 -2.53 1.30 -1.00 0.04 0.00 0.00 177.00 175.40 2gri h PRO 110 N -1.75 0.15 0.00 0.56 0.13 -1.97 -3.47 132.00 125.66 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 0.60 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 -5.16 116.55 114.84 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