#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 0.67 -2.88 0.00 0.13 -1.98 -3.50 132.00 124.45 2gri h PRO 2 Ca 0.00 -0.35 0.11 0.00 -0.87 0.00 0.00 66.00 64.89 2gri h PRO 2 Cb 0.00 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.08 2gri h PRO 2 CO 0.00 0.96 -0.87 -0.89 -0.23 0.00 0.00 178.00 176.97 2gri n ILE 3 N -4.03 -1.68 -0.02 -3.56 5.41 -1.26 -4.95 119.36 109.27 2gri n ILE 3 Ca -0.02 0.99 0.00 0.00 1.00 0.00 0.00 62.75 64.72 2gri n ILE 3 Cb 0.53 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.86 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 -2.97 0.46 0.00 0.38 2.85 -0.93 -4.93 118.16 113.02 2gri n LYS 4 Ca -0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 2gri n LYS 4 Cb 0.45 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.83 2gri n LYS 4 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2gri n GLY 5 N 0.57 -1.84 2.78 2.58 0.00 -1.26 -4.47 105.19 103.55 2gri n GLY 5 Ca 0.00 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 2gri n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gri s VAL 6 N -0.42 1.55 0.24 1.61 0.11 -1.26 -5.09 120.40 117.14 2gri s VAL 6 Ca 0.00 -2.40 -0.21 0.00 -2.93 0.00 0.00 61.98 56.43 2gri s VAL 6 Cb 0.00 -2.10 0.05 0.00 -1.53 0.00 0.00 36.38 32.80 2gri s VAL 6 CO 0.00 -0.81 0.87 -0.89 -3.33 0.00 0.00 175.10 170.95 2gri s THR 7 N 0.58 0.00 0.13 5.04 2.01 -1.26 -5.19 115.64 116.94 2gri s THR 7 Ca 0.15 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.33 2gri s THR 7 Cb -0.23 -2.34 0.01 0.00 0.01 0.00 0.00 72.50 69.95 2gri s THR 7 CO -0.06 0.00 0.19 2.22 -0.69 0.00 0.00 174.62 176.28 2gri n PHE 8 N -0.52 -0.87 -1.48 4.92 -1.74 -1.26 -4.79 117.46 111.71 2gri n PHE 8 Ca -0.05 -0.82 -0.43 0.00 -0.56 0.00 0.00 57.45 55.59 2gri n PHE 8 Cb 0.60 0.21 -0.12 0.00 1.52 0.00 0.00 39.48 41.69 2gri n PHE 8 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2gri n GLY 9 N -0.20 -0.26 0.01 4.97 0.00 -1.26 -4.66 105.19 103.79 2gri n GLY 9 Ca -0.00 1.04 -0.01 0.00 0.00 0.00 0.00 46.02 47.05 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 8.48 2.93 0.11 1.61 1.02 -1.26 -4.97 120.64 128.55 2gri n GLU 10 Ca 0.58 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 2gri n GLU 10 Cb 0.14 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 2gri n GLU 10 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2gri n ASP 11 N -1.99 -0.40 0.00 1.62 -0.08 -1.26 -5.17 116.55 109.27 2gri n ASP 11 Ca -0.03 0.37 0.00 0.00 -1.51 0.00 0.00 54.79 53.62 2gri n ASP 11 Cb 0.48 0.54 0.00 0.00 2.34 0.00 0.00 41.12 44.48 2gri n ASP 11 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2gri n THR 12 N -3.17 0.00 -1.79 5.18 5.66 -1.26 -5.07 114.28 113.82 2gri n THR 12 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 2gri n THR 12 Cb 0.00 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 68.82 2gri n THR 12 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2gri s VAL 13 N -2.00 4.03 -1.40 1.08 1.01 -1.26 -2.32 120.40 119.53 2gri s VAL 13 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.64 2gri s VAL 13 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2gri s VAL 13 CO 0.00 -0.86 0.00 0.79 0.00 0.00 0.00 175.10 175.03 2gri n TRP 14 N -2.97 0.00 0.01 5.22 7.02 -1.26 -4.62 117.44 120.84 2gri n TRP 14 Ca 0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.55 2gri n TRP 14 Cb 0.55 -2.76 0.00 0.00 -2.42 0.00 0.00 31.31 26.68 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 -1.57 0.00 -0.05 -0.99 -0.58 -1.24 -4.91 120.64 111.30 2gri n GLU 15 Ca -0.13 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.59 2gri n GLU 15 Cb 0.56 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 31.28 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 -2.55 0.90 0.23 2.62 3.14 -0.98 -4.26 118.33 117.43 2gri n VAL 16 Ca 0.00 -0.71 0.06 0.00 -2.96 0.00 0.00 64.34 60.73 2gri n VAL 16 Cb 0.00 -0.35 0.55 0.00 -1.06 0.00 0.00 33.84 32.98 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 0.01 -3.06 1.45 3.07 -1.91 -3.43 115.11 111.24 2gri h GLN 17 Ca -0.31 -0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.24 2gri h GLN 17 Cb 1.73 -0.00 0.06 0.00 0.08 0.00 0.00 27.48 29.34 2gri h GLN 17 CO 0.02 0.12 -0.32 0.41 0.09 0.00 0.00 178.83 179.15 2gri n GLY 18 N -1.22 0.20 3.67 0.06 0.00 -1.26 -2.19 105.19 104.45 2gri n GLY 18 Ca -0.03 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.07 0.51 0.21 1.61 2.02 -1.26 -3.01 117.35 114.36 2gri s TYR 19 Ca 0.24 -0.98 -0.03 0.00 -0.37 0.00 0.00 57.07 55.94 2gri s TYR 19 Cb -0.11 0.43 0.01 0.00 -0.40 0.00 0.00 41.96 41.89 2gri s TYR 19 CO 0.30 -1.35 0.32 1.63 -1.57 0.00 0.00 175.55 174.88 2gri n LYS 20 N -0.54 0.46 -4.15 -0.62 4.01 0.87 -4.60 118.16 113.60 2gri n LYS 20 Ca -0.04 -1.57 -0.23 0.00 -0.51 0.00 0.00 58.31 55.96 2gri n LYS 20 Cb 0.61 1.58 -0.17 0.00 -0.51 0.00 0.00 35.03 36.54 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 -2.26 1.58 -0.07 4.39 0.01 -1.26 -2.60 114.94 114.73 2gri s ASN 21 Ca 0.15 -0.21 -0.01 0.00 -0.71 0.00 0.00 52.86 52.09 2gri s ASN 21 Cb -0.01 -0.65 0.03 0.00 0.41 0.00 0.00 41.25 41.03 2gri s ASN 21 CO 0.11 -0.07 -0.02 -0.69 -1.51 0.00 0.00 177.10 174.92 2gri s VAL 22 N 1.21 0.51 -0.10 1.60 1.01 0.15 -4.20 120.40 120.59 2gri s VAL 22 Ca -0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 2gri s VAL 22 Cb -0.14 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 2gri s VAL 22 CO -0.02 0.27 0.01 -0.13 0.00 0.00 0.00 175.10 175.23 2gri s ARG 23 N 1.64 3.11 -0.20 2.72 1.81 0.09 -0.08 118.95 128.04 2gri s ARG 23 Ca 0.01 -0.40 -0.06 0.00 -1.72 0.00 0.00 55.73 53.56 2gri s ARG 23 Cb -0.13 -2.85 -0.03 0.00 -0.45 0.00 0.00 34.95 31.49 2gri s ARG 23 CO -0.04 0.65 0.03 0.42 -0.68 0.00 0.00 175.30 175.68 2gri s ILE 24 N -0.73 4.29 -0.47 1.52 -1.09 0.88 -0.09 121.20 125.50 2gri s ILE 24 Ca 0.12 -0.20 0.06 0.00 -2.23 0.00 0.00 60.65 58.40 2gri s ILE 24 Cb -0.12 -2.95 0.20 0.00 -1.58 0.00 0.00 42.46 38.01 2gri s ILE 24 CO 0.02 0.42 0.65 0.41 -1.23 0.00 0.00 174.94 175.21 2gri n THR 25 N 4.16 -0.37 0.00 2.92 -1.04 -1.24 -4.76 114.28 113.95 2gri n THR 25 Ca -0.17 -2.03 0.00 0.00 -2.04 0.00 0.00 64.05 59.82 2gri n THR 25 Cb 0.52 0.14 0.00 0.00 -1.82 0.00 0.00 70.33 69.16 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 2.47 0.00 0.00 -1.42 7.35 -1.26 -4.89 117.46 119.71 2gri n PHE 26 Ca 0.19 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.88 2gri n PHE 26 Cb 0.55 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.39 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 -1.48 0.00 0.12 -4.13 1.02 -1.25 -5.00 120.64 109.92 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 -1.49 0.00 -4.62 7.94 -1.26 -4.70 117.00 112.87 2gri n LEU 28 Ca 0.00 0.45 -0.30 0.00 -1.11 0.00 0.00 56.01 55.04 2gri n LEU 28 Cb 0.00 1.56 -0.06 0.00 0.53 0.00 0.00 43.42 45.45 2gri n LEU 28 CO 0.00 -0.31 -0.20 -0.67 -1.11 0.00 0.00 177.39 175.11 2gri n ASP 29 N -3.09 3.27 0.00 1.96 -0.08 -1.26 -5.05 116.55 112.29 2gri n ASP 29 Ca 0.00 -3.09 0.00 0.00 -1.51 0.00 0.00 54.79 50.19 2gri n ASP 29 Cb 0.00 0.30 0.00 0.00 2.34 0.00 0.00 41.12 43.76 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 -1.27 2.71 -0.01 -0.67 0.28 -1.26 -4.41 120.64 116.01 2gri n GLU 30 Ca -0.18 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 56.91 2gri n GLU 30 Cb 0.61 -1.00 -0.13 0.00 1.43 0.00 0.00 31.44 32.35 2gri n GLU 30 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2gri n ARG 31 N -2.15 0.62 -2.61 3.44 3.00 -1.26 -4.59 116.66 113.11 2gri n ARG 31 Ca 0.00 -0.14 -0.14 0.00 -0.00 0.00 0.00 57.85 57.57 2gri n ARG 31 Cb 0.50 -1.41 0.02 0.00 0.00 0.00 0.00 32.46 31.57 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 -2.03 1.39 -0.07 5.15 0.24 -1.26 -4.89 118.33 116.85 2gri n VAL 32 Ca -0.03 -3.56 -0.11 0.00 -2.04 0.00 0.00 64.34 58.61 2gri n VAL 32 Cb 0.44 0.16 -0.10 0.00 -1.47 0.00 0.00 33.84 32.87 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 2.86 0.00 -0.13 -1.34 3.58 -1.81 -3.30 116.42 116.28 2gri h ASP 33 Ca 0.01 -0.71 0.04 0.00 0.42 0.00 0.00 57.03 56.79 2gri h ASP 33 Cb 1.12 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.17 2gri h ASP 33 CO 0.58 0.92 0.28 0.07 -2.88 0.00 0.00 179.24 178.21 2gri h LYS 34 N -1.00 0.00 0.00 0.28 -0.00 -1.93 0.26 116.57 114.18 2gri h LYS 34 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.62 2gri h LYS 34 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.01 2gri h LYS 34 CO -0.02 0.00 0.00 0.28 -0.00 0.00 0.00 179.45 179.71 2gri n VAL 35 N -3.30 0.95 -0.01 0.07 0.31 -1.24 0.47 118.33 115.57 2gri n VAL 35 Ca 0.01 0.44 0.00 0.00 -0.01 0.00 0.00 64.34 64.78 2gri n VAL 35 Cb 0.37 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 2gri n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gri n LEU 36 N -2.21 1.16 0.00 7.52 -0.00 0.88 -3.94 117.00 120.42 2gri n LEU 36 Ca 0.01 -1.16 0.00 0.00 -0.00 0.00 0.00 56.01 54.86 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 0.15 0.29 -0.19 -0.46 -0.00 0.00 0.00 177.39 177.18 2gri n ASN 37 N -0.09 1.85 0.00 1.45 6.94 -0.76 -4.09 115.26 120.58 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 0.05 0.98 0.00 0.00 -2.36 0.00 0.00 39.78 38.45 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 -1.17 2.84 -0.12 -3.83 2.13 0.17 -4.51 120.64 116.16 2gri n GLU 38 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 2gri n GLU 38 Cb 0.00 -0.99 -0.02 0.00 0.27 0.00 0.00 31.44 30.70 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 0.83 0.00 5.31 3.64 -1.67 -3.44 116.57 121.24 2gri h LYS 39 Ca 0.00 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2gri h LYS 39 Cb 0.98 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2gri h LYS 39 CO 0.00 1.04 0.00 0.00 -2.27 0.00 0.00 179.45 178.22 2gri n SER 41 N 0.00 1.01 -4.85 0.00 3.41 -1.26 -4.77 113.62 107.16 2gri n SER 41 Ca 0.00 -1.01 -0.36 0.00 -0.26 0.00 0.00 58.87 57.24 2gri n SER 41 Cb 0.00 0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 64.60 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 -1.83 5.02 0.07 -3.33 0.11 -1.26 -0.08 120.40 119.09 2gri s VAL 42 Ca 0.08 0.70 -0.05 0.00 -2.93 0.00 0.00 61.98 59.78 2gri s VAL 42 Cb 0.10 -3.69 -0.02 0.00 -1.53 0.00 0.00 36.38 31.23 2gri s VAL 42 CO 0.40 0.42 0.07 -0.31 -3.33 0.00 0.00 175.10 172.34 2gri s TYR 43 N -1.26 0.34 -0.13 1.54 1.51 0.89 -4.97 117.35 115.27 2gri s TYR 43 Ca 0.30 -0.83 -0.06 0.00 -1.01 0.00 0.00 57.07 55.47 2gri s TYR 43 Cb -0.15 -0.23 -0.04 0.00 -0.11 0.00 0.00 41.96 41.42 2gri s TYR 43 CO 0.16 -0.45 0.10 0.99 -1.11 0.00 0.00 175.55 175.25 2gri s THR 44 N -3.82 5.19 -0.17 -0.71 2.01 -1.26 -0.67 115.64 116.20 2gri s THR 44 Ca 0.05 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.15 2gri s THR 44 Cb 0.06 -3.27 0.01 0.00 0.01 0.00 0.00 72.50 69.32 2gri s THR 44 CO -0.10 0.58 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.54 2gri s VAL 45 N -0.72 2.27 1.11 3.82 1.01 -1.07 -4.88 120.40 121.94 2gri s VAL 45 Ca 0.13 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 2gri s VAL 45 Cb -0.12 -1.95 0.28 0.00 0.00 0.00 0.00 36.38 34.59 2gri s VAL 45 CO 0.03 0.53 0.63 -0.62 0.00 0.00 0.00 175.10 175.66 2gri n GLU 46 N 4.43 -3.74 0.04 2.72 1.02 -1.26 -0.09 120.64 123.75 2gri n GLU 46 Ca -0.20 -1.06 -0.18 0.00 -0.02 0.00 0.00 57.16 55.69 2gri n GLU 46 Cb 0.51 -1.46 -0.09 0.00 -0.02 0.00 0.00 31.44 30.38 2gri n GLU 46 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2gri h SER 47 N -3.19 0.85 -3.32 1.62 0.87 -1.88 -3.40 113.55 105.11 2gri h SER 47 Ca -0.29 -0.66 -0.62 0.00 -1.23 0.00 0.00 61.79 58.99 2gri h SER 47 Cb 0.97 -0.26 -0.41 0.00 -0.44 0.00 0.00 62.40 62.25 2gri h SER 47 CO 0.17 1.46 -0.62 -0.83 -0.53 0.00 0.00 176.83 176.48 2gri s GLY 48 N -4.29 2.65 0.24 5.77 0.00 -1.26 -5.07 107.32 105.36 2gri s GLY 48 Ca -0.09 -3.56 0.05 0.00 0.00 0.00 0.00 44.72 41.11 2gri s GLY 48 CO 0.91 1.17 -0.04 -1.59 0.00 0.00 0.00 173.10 173.55 2gri s THR 49 N -1.03 1.28 0.19 0.90 2.01 -1.26 -5.16 115.64 112.56 2gri s THR 49 Ca 0.24 -2.07 0.07 0.00 0.31 0.00 0.00 61.69 60.23 2gri s THR 49 Cb -0.09 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 2gri s THR 49 CO -0.13 -0.36 0.06 -1.61 -0.69 0.00 0.00 174.62 171.90 2gri s GLU 50 N -3.80 2.61 0.41 4.92 0.41 -1.26 -5.00 118.70 117.00 2gri s GLU 50 Ca 0.28 -1.05 0.29 0.00 -0.41 0.00 0.00 54.97 54.08 2gri s GLU 50 Cb 0.05 -2.46 1.37 0.00 -1.78 0.00 0.00 34.13 31.31 2gri s GLU 50 CO 0.09 0.45 1.87 0.28 -0.49 0.00 0.00 175.26 177.46 2gri h VAL 51 N 2.18 0.00 0.00 2.63 2.07 -1.96 -1.57 116.25 119.60 2gri h VAL 51 Ca -0.47 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 2gri h VAL 51 Cb 1.21 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2gri h VAL 51 CO 0.60 0.00 -1.09 1.07 0.02 0.00 0.00 177.57 178.17 2gri n THR 52 N -2.56 0.71 0.10 2.57 5.66 -1.26 -3.97 114.28 115.53 2gri n THR 52 Ca -0.00 -0.57 -0.02 0.00 -3.05 0.00 0.00 64.05 60.41 2gri n THR 52 Cb 0.16 -0.40 0.22 0.00 -1.55 0.00 0.00 70.33 68.76 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 0.23 0.00 1.09 4.22 -1.68 -2.52 114.58 115.92 2gri h GLU 53 Ca -0.03 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 59.30 2gri h GLU 53 Cb 1.10 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2gri h GLU 53 CO 0.01 0.61 0.00 0.74 -2.18 0.00 0.00 179.01 178.19 2gri h PHE 54 N 0.19 0.00 0.00 0.92 0.04 -1.68 -2.89 116.94 113.53 2gri h PHE 54 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2gri h PHE 54 Cb 0.82 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.97 2gri h PHE 54 CO 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.72 2gri n ALA 55 N -1.90 1.99 0.18 2.45 0.00 -0.95 -0.06 120.51 122.22 2gri n ALA 55 Ca 0.03 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.43 2gri n ALA 55 Cb 0.36 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.53 0.92 0.16 0.00 3.14 -1.05 -4.30 118.33 115.67 2gri n VAL 57 Ca -0.00 -0.60 0.09 0.00 -2.96 0.00 0.00 64.34 60.87 2gri n VAL 57 Cb 0.18 -0.54 0.07 0.00 -1.06 0.00 0.00 33.84 32.50 2gri n VAL 57 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 2gri h VAL 58 N 0.00 0.23 -0.00 1.55 2.07 -0.73 -3.21 116.25 116.14 2gri h VAL 58 Ca -0.36 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 65.81 2gri h VAL 58 Cb 1.80 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 2gri h VAL 58 CO 0.02 0.13 -0.15 0.00 0.02 0.00 0.00 177.57 177.59 2gri n ALA 59 N -2.17 2.85 -0.04 1.67 0.00 -1.26 -3.57 120.51 117.99 2gri n ALA 59 Ca 0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 53.44 53.12 2gri n ALA 59 Cb 0.61 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 2gri n ALA 59 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2gri h GLU 60 N 0.78 0.00 -0.70 0.00 5.08 -1.74 -3.34 114.58 114.66 2gri h GLU 60 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 2gri h GLU 60 Cb 0.41 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.56 2gri h GLU 60 CO 0.00 0.00 0.23 0.00 -1.00 0.00 0.00 179.01 178.24 2gri h ALA 61 N -1.42 0.92 -0.21 3.43 0.00 -1.74 0.32 119.26 120.56 2gri h ALA 61 Ca 0.00 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2gri h ALA 61 Cb 0.27 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2gri h ALA 61 CO 0.00 -0.26 0.26 -0.39 0.00 0.00 0.00 179.25 178.87 2gri h VAL 62 N 0.36 0.38 0.00 0.00 -1.51 -1.77 0.29 116.25 113.99 2gri h VAL 62 Ca 0.38 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.85 2gri h VAL 62 Cb 0.57 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 2gri h VAL 62 CO -0.41 0.00 -0.20 0.58 -1.23 0.00 0.00 177.57 176.31 2gri h VAL 63 N 0.00 0.00 -0.00 7.19 2.07 -0.52 -3.19 116.25 121.80 2gri h VAL 63 Ca 0.10 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2gri h VAL 63 Cb 0.62 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2gri h VAL 63 CO -0.00 0.00 0.08 0.07 0.02 0.00 0.00 177.57 177.74 2gri h LYS 64 N -0.84 0.00 -0.04 1.57 2.10 -1.11 0.38 116.57 118.63 2gri h LYS 64 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2gri h LYS 64 Cb 0.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 2gri h LYS 64 CO 0.00 0.00 0.00 -2.37 -2.00 0.00 0.00 179.45 175.08 2gri n THR 65 N -3.05 0.03 -2.87 0.07 5.66 0.99 -4.26 114.28 110.85 2gri n THR 65 Ca -0.03 -0.34 -0.18 0.00 -3.05 0.00 0.00 64.05 60.46 2gri n THR 65 Cb 0.14 0.77 -0.01 0.00 -1.55 0.00 0.00 70.33 69.68 2gri n THR 65 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2gri n LEU 66 N 0.53 2.22 -1.84 1.09 7.94 0.13 -4.81 117.00 122.26 2gri n LEU 66 Ca 0.17 -4.72 -0.11 0.00 -1.11 0.00 0.00 56.01 50.25 2gri n LEU 66 Cb 0.42 0.24 0.07 0.00 0.53 0.00 0.00 43.42 44.68 2gri n LEU 66 CO 0.16 2.05 0.17 0.00 -1.11 0.00 0.00 177.39 178.66 2gri n GLN 67 N -0.03 2.52 -0.08 1.96 6.02 -1.23 -4.81 117.38 121.73 2gri n GLN 67 Ca 0.23 -3.68 -0.13 0.00 -0.01 0.00 0.00 57.00 53.41 2gri n GLN 67 Cb 0.67 -1.82 -0.05 0.00 1.02 0.00 0.00 30.24 30.06 2gri n GLN 67 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2gri h PRO 68 N 1.92 0.60 -0.62 -1.09 0.13 -1.93 -3.40 132.00 127.61 2gri h PRO 68 Ca 0.14 -0.31 -0.31 0.00 -0.87 0.00 0.00 66.00 64.64 2gri h PRO 68 Cb 1.40 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 32.31 2gri h PRO 68 CO 0.43 0.91 -0.68 1.33 -0.23 0.00 0.00 178.00 179.76 2gri n VAL 69 N -4.35 -0.05 0.45 1.56 0.24 -1.26 -4.95 118.33 109.97 2gri n VAL 69 Ca -0.04 -2.46 0.08 0.00 -2.04 0.00 0.00 64.34 59.87 2gri n VAL 69 Cb 0.43 0.95 0.33 0.00 -1.47 0.00 0.00 33.84 34.09 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 0.33 0.13 0.16 -1.34 3.41 -1.26 -2.42 113.62 112.63 2gri n SER 70 Ca 0.12 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 2gri n SER 70 Cb 0.69 -0.56 0.58 0.00 -0.26 0.00 0.00 64.21 64.66 2gri n SER 70 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2gri h ASP 71 N 0.00 0.00 0.00 4.04 3.32 -1.95 -2.74 116.42 119.09 2gri h ASP 71 Ca 0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 2gri h ASP 71 Cb 0.25 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.74 2gri h ASP 71 CO 0.00 0.00 -2.35 0.00 -1.72 0.00 0.00 179.24 175.17 2gri n LEU 72 N -2.33 2.33 -0.09 1.55 -0.00 -1.02 -4.29 117.00 113.14 2gri n LEU 72 Ca 0.00 -0.10 0.12 0.00 -0.00 0.00 0.00 56.01 56.03 2gri n LEU 72 Cb 0.14 -0.55 0.49 0.00 -0.00 0.00 0.00 43.42 43.50 2gri n LEU 72 CO 0.16 0.81 1.19 -0.07 -0.00 0.00 0.00 177.39 179.47 2gri h LEU 73 N 0.00 0.39 -0.52 1.47 3.38 -1.59 0.23 115.31 118.66 2gri h LEU 73 Ca -0.53 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2gri h LEU 73 Cb 1.90 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.58 2gri h LEU 73 CO -0.06 0.24 0.00 0.74 0.09 0.00 0.00 178.44 179.45 2gri h THR 74 N 0.43 0.00 0.00 0.22 2.02 -1.27 0.02 112.91 114.33 2gri h THR 74 Ca 0.28 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 2gri h THR 74 Cb 0.53 1.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 2gri h THR 74 CO -0.08 0.00 -0.04 -0.55 0.37 0.00 0.00 175.52 175.22 2gri h ASN 75 N 0.00 0.00 0.00 4.18 7.08 -0.73 -3.29 115.58 122.82 2gri h ASN 75 Ca 0.00 0.00 -0.20 0.00 -3.08 0.00 0.00 56.30 53.02 2gri h ASN 75 Cb 0.65 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.85 2gri h ASN 75 CO 0.00 0.04 -2.08 1.15 -2.08 0.00 0.00 177.43 174.46 2gri n MET 76 N -3.11 0.91 0.00 4.14 0.00 -1.10 -5.01 117.12 112.95 2gri n MET 76 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 57.70 57.67 2gri n MET 76 Cb 0.54 -1.45 0.00 0.00 0.00 0.00 0.00 33.22 32.31 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 1.72 2.49 3.68 3.17 0.00 -0.69 -5.10 105.19 110.46 2gri n GLY 77 Ca -0.19 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 0.42 -4.80 -0.61 5.41 -0.09 -4.83 119.36 114.85 2gri n ILE 78 Ca 0.00 -0.07 -0.32 0.00 1.00 0.00 0.00 62.75 63.35 2gri n ILE 78 Cb 0.00 -2.09 -0.13 0.00 -0.71 0.00 0.00 39.64 36.72 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 2.97 4.07 -0.10 4.38 -1.08 -1.26 -2.63 116.67 123.02 2gri s ASP 79 Ca 0.84 -0.23 0.03 0.00 -0.52 0.00 0.00 52.55 52.67 2gri s ASP 79 Cb -0.51 -0.84 -0.24 0.00 -1.46 0.00 0.00 42.92 39.87 2gri s ASP 79 CO 0.39 0.32 0.44 -0.11 0.52 0.00 0.00 175.17 176.74 2gri n LEU 80 N 2.08 1.79 0.19 -1.34 7.94 -1.26 -3.82 117.00 122.57 2gri n LEU 80 Ca -0.17 0.27 0.14 0.00 -1.11 0.00 0.00 56.01 55.13 2gri n LEU 80 Cb 0.52 -0.49 0.66 0.00 0.53 0.00 0.00 43.42 44.64 2gri n LEU 80 CO 0.26 0.65 0.90 0.44 -1.11 0.00 0.00 177.39 178.53 2gri h ASP 81 N 0.03 0.00 0.50 1.96 5.19 -2.01 -1.70 116.42 120.40 2gri h ASP 81 Ca -0.38 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 55.74 2gri h ASP 81 Cb 2.03 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 41.49 2gri h ASP 81 CO 0.07 0.00 -1.69 1.05 -3.12 0.00 0.00 179.24 175.55 2gri h GLU 82 N 0.00 0.00 -0.79 3.56 4.11 -1.94 -3.36 114.58 116.17 2gri h GLU 82 Ca 0.00 -0.01 0.16 0.00 0.07 0.00 0.00 59.36 59.58 2gri h GLU 82 Cb 0.15 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.30 2gri h GLU 82 CO 0.00 0.52 0.32 -1.49 0.07 0.00 0.00 179.01 178.43 2gri h TRP 83 N 0.00 0.54 -0.32 2.06 4.06 -1.40 0.37 115.95 121.25 2gri h TRP 83 Ca -0.28 0.04 -0.06 0.00 2.06 0.00 0.00 58.89 60.65 2gri h TRP 83 Cb 2.01 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 30.04 2gri h TRP 83 CO 0.00 0.04 -0.02 1.03 -3.56 0.00 0.00 178.44 175.93 2gri h SER 84 N 0.44 0.57 -0.87 -3.49 0.87 -1.71 -2.99 113.55 106.36 2gri h SER 84 Ca 0.45 -0.32 -0.53 0.00 -1.23 0.00 0.00 61.79 60.16 2gri h SER 84 Cb 0.73 -0.15 -0.26 0.00 -0.44 0.00 0.00 62.40 62.27 2gri h SER 84 CO -0.44 0.76 0.68 0.55 -0.53 0.00 0.00 176.83 177.85 2gri n VAL 85 N -4.52 3.21 -3.15 2.23 3.14 -0.38 -4.94 118.33 113.92 2gri n VAL 85 Ca -0.02 -2.19 -0.21 0.00 -2.96 0.00 0.00 64.34 58.95 2gri n VAL 85 Cb 0.28 -0.90 0.06 0.00 -1.06 0.00 0.00 33.84 32.22 2gri n VAL 85 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gri s ALA 86 N -3.14 4.71 -0.79 1.55 0.00 0.12 -4.96 121.76 119.25 2gri s ALA 86 Ca 0.54 -2.07 -0.14 0.00 0.00 0.00 0.00 51.96 50.29 2gri s ALA 86 Cb 0.43 -1.35 0.21 0.00 0.00 0.00 0.00 23.12 22.41 2gri s ALA 86 CO 0.04 -0.87 0.73 0.99 0.00 0.00 0.00 175.76 176.64 2gri s THR 87 N -2.72 5.48 -0.35 0.00 2.01 -1.26 -5.03 115.64 113.77 2gri s THR 87 Ca 0.59 -2.41 -0.21 0.00 0.31 0.00 0.00 61.69 59.97 2gri s THR 87 Cb -0.05 -4.40 0.00 0.00 0.01 0.00 0.00 72.50 68.06 2gri s THR 87 CO 0.37 -1.01 0.66 -0.36 -0.69 0.00 0.00 174.62 173.60 2gri s PHE 88 N 0.28 3.15 -0.26 4.92 0.40 -1.26 -4.68 117.98 120.53 2gri s PHE 88 Ca 0.16 0.42 -0.11 0.00 -0.60 0.00 0.00 56.93 56.80 2gri s PHE 88 Cb -0.12 -3.16 -0.05 0.00 0.51 0.00 0.00 43.02 40.20 2gri s PHE 88 CO -0.08 -0.62 0.20 0.71 0.70 0.00 0.00 175.22 176.13 2gri s TYR 89 N 2.76 3.26 0.31 0.36 2.02 -1.07 -4.86 117.35 120.14 2gri s TYR 89 Ca 0.26 0.20 -0.17 0.00 -0.37 0.00 0.00 57.07 56.99 2gri s TYR 89 Cb -0.14 -2.37 -0.09 0.00 -0.40 0.00 0.00 41.96 38.96 2gri s TYR 89 CO 0.15 -0.09 0.76 -0.51 -1.57 0.00 0.00 175.55 174.29 2gri s LEU 90 N 1.54 4.11 0.20 -1.29 2.01 -1.26 -2.32 118.68 121.67 2gri s LEU 90 Ca 0.08 1.36 -0.13 0.00 0.01 0.00 0.00 54.13 55.45 2gri s LEU 90 Cb -0.15 -4.03 0.01 0.00 0.01 0.00 0.00 46.19 42.02 2gri s LEU 90 CO 0.09 -0.17 0.44 -0.36 1.01 0.00 0.00 176.35 177.35 2gri s PHE 91 N -1.91 0.19 0.00 0.29 0.40 -0.34 -4.27 117.98 112.35 2gri s PHE 91 Ca 0.53 -0.55 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 2gri s PHE 91 Cb -0.11 0.19 0.00 0.00 0.51 0.00 0.00 43.02 43.61 2gri s PHE 91 CO 0.18 -0.89 0.00 -3.47 0.70 0.00 0.00 175.22 171.74 2gri n ASP 92 N -0.32 1.56 -0.09 1.36 2.03 0.67 -0.57 116.55 121.20 2gri n ASP 92 Ca -0.06 -0.84 0.16 0.00 0.52 0.00 0.00 54.79 54.56 2gri n ASP 92 Cb 0.62 0.00 0.87 0.00 -0.72 0.00 0.00 41.12 41.89 2gri n ASP 92 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2gri n ASP 93 N -1.21 0.27 -0.40 1.67 5.68 -1.26 -3.01 116.55 118.29 2gri n ASP 93 Ca 0.00 -1.06 0.04 0.00 -0.50 0.00 0.00 54.79 53.27 2gri n ASP 93 Cb 0.00 -0.01 0.07 0.00 -1.14 0.00 0.00 41.12 40.04 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 -0.80 2.35 -2.72 2.12 0.00 -1.26 -4.99 120.51 115.21 2gri n ALA 94 Ca 0.23 -0.79 -0.05 0.00 0.00 0.00 0.00 53.44 52.83 2gri n ALA 94 Cb 0.16 -0.31 0.02 0.00 0.00 0.00 0.00 19.45 19.32 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 0.40 0.62 3.12 0.00 0.00 -1.16 -5.06 105.19 103.11 2gri n GLY 95 Ca 0.07 -0.48 -0.07 0.00 0.00 0.00 0.00 46.02 45.53 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 -5.26 0.67 -1.16 1.61 -1.05 -1.26 -4.89 118.70 107.35 2gri s GLU 96 Ca 0.12 -1.15 -0.20 0.00 -0.15 0.00 0.00 54.97 53.59 2gri s GLU 96 Cb -0.05 0.24 0.06 0.00 -0.44 0.00 0.00 34.13 33.94 2gri s GLU 96 CO 0.15 -0.15 1.60 -1.21 0.95 0.00 0.00 175.26 176.60 2gri s GLU 97 N -3.89 3.78 0.35 -4.83 2.02 -1.26 -0.24 118.70 114.63 2gri s GLU 97 Ca 0.06 -1.56 0.06 0.00 0.02 0.00 0.00 54.97 53.56 2gri s GLU 97 Cb 0.07 -5.45 -0.07 0.00 0.10 0.00 0.00 34.13 28.78 2gri s GLU 97 CO -0.10 -2.25 0.00 -0.80 0.02 0.00 0.00 175.26 172.13 2gri s ASN 98 N 4.63 3.16 -0.58 -0.19 0.01 -1.26 -4.91 114.94 115.79 2gri s ASN 98 Ca 0.50 -1.32 0.04 0.00 -0.71 0.00 0.00 52.86 51.37 2gri s ASN 98 Cb 0.02 -0.25 0.36 0.00 0.41 0.00 0.00 41.25 41.79 2gri s ASN 98 CO -0.01 -0.46 1.10 2.22 -1.51 0.00 0.00 177.10 178.45 2gri n PHE 99 N -0.79 3.74 -0.79 2.20 1.16 -1.26 -4.62 117.46 117.11 2gri n PHE 99 Ca -0.04 -3.57 0.00 0.00 -1.87 0.00 0.00 57.45 51.97 2gri n PHE 99 Cb 0.66 -0.45 0.00 0.00 -1.61 0.00 0.00 39.48 38.08 2gri n PHE 99 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 2gri n SER 100 N -0.31 -0.08 -0.27 5.98 3.41 -1.26 -4.87 113.62 116.21 2gri n SER 100 Ca 0.35 -0.79 0.31 0.00 -0.26 0.00 0.00 58.87 58.49 2gri n SER 100 Cb 0.45 0.00 0.70 0.00 -0.26 0.00 0.00 64.21 65.10 2gri n SER 100 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2gri h SER 101 N -0.08 0.08 -4.35 4.04 4.64 -1.96 -3.41 113.55 112.50 2gri h SER 101 Ca 0.00 0.01 -0.27 0.00 -0.47 0.00 0.00 61.79 61.07 2gri h SER 101 Cb 0.00 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.94 2gri h SER 101 CO 0.00 0.02 -0.71 0.00 -0.87 0.00 0.00 176.83 175.27 2gri s ARG 102 N -5.05 0.92 -0.12 4.77 1.70 -1.26 -0.73 118.95 119.18 2gri s ARG 102 Ca -0.06 -1.37 -0.04 0.00 -0.47 0.00 0.00 55.73 53.79 2gri s ARG 102 Cb 0.23 -0.38 0.06 0.00 -0.57 0.00 0.00 34.95 34.29 2gri s ARG 102 CO 0.79 0.02 0.24 -1.64 -1.08 0.00 0.00 175.30 173.63 2gri s MET 103 N -3.73 0.12 -0.07 3.89 -1.94 0.86 -4.77 119.30 113.66 2gri s MET 103 Ca 0.13 0.70 -0.30 0.00 -1.71 0.00 0.00 55.69 54.51 2gri s MET 103 Cb 0.04 -0.09 -0.02 0.00 2.01 0.00 0.00 34.83 36.76 2gri s MET 103 CO -0.02 -0.29 1.01 0.71 -0.01 0.00 0.00 175.02 176.42 2gri s TYR 104 N 2.35 3.55 -0.43 -0.03 2.02 0.27 -3.72 117.35 121.36 2gri s TYR 104 Ca 0.01 1.61 -0.09 0.00 -0.37 0.00 0.00 57.07 58.23 2gri s TYR 104 Cb -0.12 -3.18 0.09 0.00 -0.40 0.00 0.00 41.96 38.35 2gri s TYR 104 CO -0.08 -0.21 0.28 0.00 -1.57 0.00 0.00 175.55 173.96 2gri s SER 106 N 2.22 5.39 0.00 0.00 0.01 -0.98 -3.87 113.70 116.47 2gri s SER 106 Ca 0.04 -0.28 0.27 0.00 1.31 0.00 0.00 55.95 57.29 2gri s SER 106 Cb -0.24 -1.34 0.88 0.00 0.21 0.00 0.00 66.02 65.53 2gri s SER 106 CO 0.01 -0.01 1.65 2.22 0.41 0.00 0.00 173.24 177.52 2gri n PHE 107 N -0.96 0.00 -4.23 2.43 1.16 -1.26 -2.59 117.46 112.01 2gri n PHE 107 Ca -0.08 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.24 2gri n PHE 107 Cb 0.57 -0.20 -0.08 0.00 -1.61 0.00 0.00 39.48 38.16 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 -2.65 2.79 0.96 2.97 1.13 -1.26 -4.93 117.35 116.36 2gri s TYR 108 Ca 0.22 -0.16 -0.12 0.00 -1.41 0.00 0.00 57.07 55.60 2gri s TYR 108 Cb 0.19 -1.34 0.16 0.00 -1.10 0.00 0.00 41.96 39.87 2gri s TYR 108 CO 0.55 0.52 1.09 -1.25 -2.51 0.00 0.00 175.55 173.95 2gri s PRO 109 N -2.98 0.77 -0.02 -3.49 0.04 -1.26 -4.67 135.00 123.39 2gri s PRO 109 Ca 0.27 0.65 -0.22 0.00 0.04 0.00 0.00 61.00 61.74 2gri s PRO 109 Cb -0.09 -1.77 -0.15 0.00 0.04 0.00 0.00 34.50 32.53 2gri s PRO 109 CO 0.18 -2.53 1.01 -1.00 0.04 0.00 0.00 177.00 174.69 2gri h PRO 110 N -1.75 -0.38 0.00 0.56 0.13 -1.97 -3.49 132.00 125.10 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 -0.04 0.00 -0.25 -0.23 0.00 0.00 178.00 178.04 2gri n ASP 111 N -5.07 0.00 0.00 1.44 8.00 -1.26 -5.17 116.55 114.49 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