#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 -2.79 0.00 -0.04 -1.26 -4.92 135.00 127.45 2gri n PRO 2 Ca 0.00 -1.99 -0.29 0.00 -0.04 0.00 0.00 63.50 61.19 2gri n PRO 2 Cb 0.00 -3.13 -0.02 0.00 -0.04 0.00 0.00 33.50 30.31 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 6.83 4.86 0.32 0.52 1.01 -1.26 -4.58 121.20 128.90 2gri s ILE 3 Ca 0.61 0.38 -0.05 0.00 0.00 0.00 0.00 60.65 61.59 2gri s ILE 3 Cb 0.10 -3.79 0.08 0.00 0.01 0.00 0.00 42.46 38.86 2gri s ILE 3 CO 0.13 -0.66 0.18 0.29 0.00 0.00 0.00 174.94 174.89 2gri n LYS 4 N -1.72 -2.29 -1.55 2.79 4.76 0.82 -4.68 118.16 116.29 2gri n LYS 4 Ca 0.01 -0.31 -0.29 0.00 -2.87 0.00 0.00 58.31 54.86 2gri n LYS 4 Cb 0.54 -0.42 -0.05 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 -1.17 0.02 2.95 0.72 0.00 -1.26 -3.79 105.19 102.66 2gri n GLY 5 Ca 0.03 0.55 -0.03 0.00 0.00 0.00 0.00 46.02 46.57 2gri n GLY 5 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2gri n VAL 6 N 8.17 -7.79 -3.49 1.61 0.31 -1.26 -5.05 118.33 110.84 2gri n VAL 6 Ca 0.42 1.17 -0.13 0.00 -0.01 0.00 0.00 64.34 65.80 2gri n VAL 6 Cb 0.47 -5.31 -0.03 0.00 -0.91 0.00 0.00 33.84 28.06 2gri n VAL 6 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2gri s THR 7 N -1.47 0.01 -0.29 2.52 2.01 -1.25 -5.17 115.64 112.00 2gri s THR 7 Ca 0.04 -0.12 -0.20 0.00 0.31 0.00 0.00 61.69 61.72 2gri s THR 7 Cb -0.01 -1.02 0.17 0.00 0.01 0.00 0.00 72.50 71.66 2gri s THR 7 CO 0.50 -0.07 1.22 0.72 -0.69 0.00 0.00 174.62 176.30 2gri s PHE 8 N -3.25 -0.24 -1.01 4.92 -0.71 -1.26 -4.78 117.98 111.65 2gri s PHE 8 Ca -0.01 0.53 -0.12 0.00 -1.04 0.00 0.00 56.93 56.29 2gri s PHE 8 Cb -0.00 0.30 -0.01 0.00 -1.21 0.00 0.00 43.02 42.09 2gri s PHE 8 CO -0.08 -0.12 0.77 0.41 -1.34 0.00 0.00 175.22 174.86 2gri n GLY 9 N 2.60 -1.11 0.11 1.99 0.00 -1.26 -4.94 105.19 102.59 2gri n GLY 9 Ca -0.15 0.50 -0.15 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.40 0.63 0.21 1.61 -0.58 -1.26 -5.01 120.64 112.84 2gri n GLU 10 Ca -0.10 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2gri n GLU 10 Cb 0.59 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 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 -3.12 -3.79 -3.65 1.62 2.03 -1.26 -5.11 116.55 103.27 2gri n ASP 11 Ca -0.39 0.83 0.01 0.00 0.52 0.00 0.00 54.79 55.76 2gri n ASP 11 Cb 0.95 3.57 -0.06 0.00 -0.72 0.00 0.00 41.12 44.85 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 -1.89 0.00 0.81 5.18 -1.32 -1.26 -5.05 115.64 112.10 2gri s THR 12 Ca 0.00 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.33 2gri s THR 12 Cb 0.00 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 2gri s THR 12 CO 0.00 0.00 0.44 0.55 -2.21 0.00 0.00 174.62 173.40 2gri n VAL 13 N 2.50 1.12 -1.02 5.08 3.14 -1.26 -1.89 118.33 126.00 2gri n VAL 13 Ca -0.15 -0.33 -0.01 0.00 -2.96 0.00 0.00 64.34 60.90 2gri n VAL 13 Cb 0.56 -0.67 -0.00 0.00 -1.06 0.00 0.00 33.84 32.67 2gri n VAL 13 CO 0.00 0.00 0.00 0.79 -6.46 0.00 0.00 176.83 171.16 2gri n TRP 14 N -2.79 0.00 0.00 1.45 7.02 -1.26 -4.62 117.44 117.24 2gri n TRP 14 Ca 0.08 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.56 2gri n TRP 14 Cb 0.51 -1.30 0.00 0.00 -2.42 0.00 0.00 31.31 28.11 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 -0.63 0.06 0.00 -0.99 -0.58 -0.79 -4.93 120.64 112.78 2gri n GLU 15 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2gri n GLU 15 Cb 0.32 -0.53 0.00 0.00 -0.57 0.00 0.00 31.44 30.66 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 -1.26 0.00 -0.28 2.62 3.14 -0.87 -4.68 118.33 117.00 2gri n VAL 16 Ca 0.00 0.00 0.19 0.00 -2.96 0.00 0.00 64.34 61.57 2gri n VAL 16 Cb 0.03 -0.59 0.49 0.00 -1.06 0.00 0.00 33.84 32.70 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 0.43 -0.51 1.45 4.15 -1.90 -3.43 115.11 115.31 2gri h GLN 17 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2gri h GLN 17 Cb 0.73 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.32 2gri h GLN 17 CO 0.00 0.29 0.00 0.41 -1.93 0.00 0.00 178.83 177.60 2gri n GLY 18 N -1.49 0.80 3.55 2.39 0.00 -1.26 -0.13 105.19 109.05 2gri n GLY 18 Ca 0.21 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.51 -0.28 0.16 1.61 2.02 -1.26 -1.63 117.35 115.47 2gri s TYR 19 Ca 0.00 -0.05 0.03 0.00 -0.37 0.00 0.00 57.07 56.69 2gri s TYR 19 Cb 0.00 0.51 -0.01 0.00 -0.40 0.00 0.00 41.96 42.05 2gri s TYR 19 CO 0.00 -0.95 0.15 1.63 -1.57 0.00 0.00 175.55 174.81 2gri n LYS 20 N -0.37 0.21 -3.59 -0.62 4.01 0.28 -4.51 118.16 113.57 2gri n LYS 20 Ca -0.11 -1.59 -0.18 0.00 -0.51 0.00 0.00 58.31 55.92 2gri n LYS 20 Cb 0.63 1.33 -0.14 0.00 -0.51 0.00 0.00 35.03 36.33 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 -2.12 1.09 -0.02 4.39 0.01 -1.26 -2.69 114.94 114.33 2gri s ASN 21 Ca 0.19 0.06 0.04 0.00 -0.71 0.00 0.00 52.86 52.44 2gri s ASN 21 Cb 0.01 0.32 -0.01 0.00 0.41 0.00 0.00 41.25 41.98 2gri s ASN 21 CO 0.13 -0.29 -0.14 0.54 -1.51 0.00 0.00 177.10 175.84 2gri s VAL 22 N 2.31 1.12 0.32 1.60 0.11 -0.68 -4.77 120.40 120.41 2gri s VAL 22 Ca 0.04 -0.58 0.07 0.00 -2.93 0.00 0.00 61.98 58.59 2gri s VAL 22 Cb -0.14 -0.96 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 2gri s VAL 22 CO -0.09 0.33 0.29 -0.60 -3.33 0.00 0.00 175.10 171.70 2gri s ARG 23 N -0.11 2.82 -0.03 1.54 6.06 -1.07 -1.84 118.95 126.33 2gri s ARG 23 Ca 0.01 -1.20 0.01 0.00 -2.50 0.00 0.00 55.73 52.04 2gri s ARG 23 Cb -0.08 -2.54 0.02 0.00 0.06 0.00 0.00 34.95 32.41 2gri s ARG 23 CO 0.00 0.16 -0.02 0.42 -2.50 0.00 0.00 175.30 173.36 2gri s ILE 24 N -2.25 0.30 -0.43 4.11 1.09 -1.21 -1.12 121.20 121.69 2gri s ILE 24 Ca 0.40 -0.04 0.06 0.00 -1.10 0.00 0.00 60.65 59.97 2gri s ILE 24 Cb -0.07 -0.34 0.18 0.00 -1.06 0.00 0.00 42.46 41.18 2gri s ILE 24 CO 0.27 0.15 0.71 -0.89 -0.10 0.00 0.00 174.94 175.08 2gri s THR 25 N 0.69 -0.91 0.00 2.92 2.01 -1.26 -4.86 115.64 114.23 2gri s THR 25 Ca -0.08 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.62 2gri s THR 25 Cb -0.11 0.00 0.00 0.00 0.01 0.00 0.00 72.50 72.40 2gri s THR 25 CO -0.01 0.00 0.00 0.33 -0.69 0.00 0.00 174.62 174.25 2gri n PHE 26 N 3.85 0.00 -3.40 4.92 7.35 -1.26 -4.91 117.46 124.01 2gri n PHE 26 Ca 0.13 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.85 2gri n PHE 26 Cb 0.57 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.36 2gri n PHE 26 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2gri s GLU 27 N -0.35 0.01 0.16 -4.13 2.12 -1.26 -5.02 118.70 110.23 2gri s GLU 27 Ca 0.00 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.35 2gri s GLU 27 Cb 0.00 0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.40 2gri s GLU 27 CO 0.00 -0.00 0.00 1.28 -0.54 0.00 0.00 175.26 176.00 2gri n LEU 28 N 3.78 -0.08 -4.34 2.70 4.32 -1.26 -4.86 117.00 117.25 2gri n LEU 28 Ca -0.12 0.28 -0.18 0.00 -0.02 0.00 0.00 56.01 55.97 2gri n LEU 28 Cb 0.56 0.23 -0.10 0.00 -1.62 0.00 0.00 43.42 42.49 2gri n LEU 28 CO 0.01 -0.66 -0.23 -0.62 -1.22 0.00 0.00 177.39 174.67 2gri s ASP 29 N -5.02 1.49 -0.03 -1.43 2.15 -1.26 -5.06 116.67 107.51 2gri s ASP 29 Ca 0.00 -1.47 0.03 0.00 0.43 0.00 0.00 52.55 51.54 2gri s ASP 29 Cb 0.00 0.26 -0.05 0.00 -0.30 0.00 0.00 42.92 42.84 2gri s ASP 29 CO 0.00 -0.80 0.03 -1.84 -0.17 0.00 0.00 175.17 172.39 2gri n GLU 30 N -0.55 2.75 -0.04 4.34 0.28 -1.26 -4.18 120.64 121.97 2gri n GLU 30 Ca -0.00 -0.01 0.02 0.00 -0.16 0.00 0.00 57.16 57.01 2gri n GLU 30 Cb 0.66 -1.09 -0.16 0.00 1.43 0.00 0.00 31.44 32.28 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 -2.02 0.67 -2.57 3.44 5.12 -1.26 -4.54 116.66 115.50 2gri n ARG 31 Ca -0.05 -0.09 -0.13 0.00 -1.93 0.00 0.00 57.85 55.65 2gri n ARG 31 Cb 0.50 -1.54 0.03 0.00 -1.16 0.00 0.00 32.46 30.29 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 -2.51 1.59 -0.07 1.55 0.24 -1.26 -4.87 118.33 112.99 2gri n VAL 32 Ca -0.16 -3.64 -0.14 0.00 -2.04 0.00 0.00 64.34 58.36 2gri n VAL 32 Cb 0.83 0.10 -0.13 0.00 -1.47 0.00 0.00 33.84 33.17 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 2.71 -0.00 0.23 -1.34 1.82 -1.80 -3.28 116.42 114.77 2gri h ASP 33 Ca 0.05 -0.99 0.00 0.00 -0.39 0.00 0.00 57.03 55.70 2gri h ASP 33 Cb 1.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.19 2gri h ASP 33 CO 0.55 0.99 0.00 0.07 -1.61 0.00 0.00 179.24 179.25 2gri h LYS 34 N -1.00 0.00 0.00 0.28 -0.00 -1.91 -1.74 116.57 112.20 2gri h LYS 34 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.64 2gri h LYS 34 Cb 0.99 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.22 2gri h LYS 34 CO 0.00 0.00 -0.02 0.28 -0.00 0.00 0.00 179.45 179.71 2gri h VAL 35 N 0.00 0.16 0.00 0.07 2.07 -1.93 0.47 116.25 117.09 2gri h VAL 35 Ca 0.00 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2gri h VAL 35 Cb 0.12 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 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 -3.27 1.53 0.00 2.57 -0.00 -0.67 -3.95 117.00 113.21 2gri n LEU 36 Ca -0.02 -1.53 0.00 0.00 -0.00 0.00 0.00 56.01 54.46 2gri n LEU 36 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 2gri n LEU 36 CO 0.24 0.38 -0.25 -3.20 -0.00 0.00 0.00 177.39 174.56 2gri n ASN 37 N -0.29 2.53 0.00 1.45 5.15 -0.83 -3.96 115.26 119.31 2gri n ASN 37 Ca 0.00 -0.24 0.00 0.00 -0.60 0.00 0.00 54.58 53.74 2gri n ASN 37 Cb 0.16 0.99 0.00 0.00 -0.53 0.00 0.00 39.78 40.40 2gri n ASN 37 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2gri n GLU 38 N -1.24 2.91 0.00 1.20 2.13 0.16 -4.33 120.64 121.46 2gri n GLU 38 Ca 0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 2gri n GLU 38 Cb 0.00 -0.99 0.26 0.00 0.27 0.00 0.00 31.44 30.98 2gri n GLU 38 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2gri n LYS 39 N -2.09 0.01 0.00 5.31 5.02 -1.17 -4.73 118.16 120.50 2gri n LYS 39 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2gri n LYS 39 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 2gri n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gri n SER 41 N 0.00 3.58 -4.79 0.00 2.88 -1.25 -4.24 113.62 109.79 2gri n SER 41 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 2gri n SER 41 Cb 0.00 1.13 -0.06 0.00 -0.75 0.00 0.00 64.21 64.53 2gri n SER 41 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2gri s VAL 42 N -2.36 4.63 -0.01 2.46 1.01 -1.26 -3.31 120.40 121.56 2gri s VAL 42 Ca -0.02 1.42 0.02 0.00 0.00 0.00 0.00 61.98 63.39 2gri s VAL 42 Cb 0.03 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2gri s VAL 42 CO 0.25 0.51 -0.05 -0.31 0.00 0.00 0.00 175.10 175.51 2gri s TYR 43 N -0.93 0.53 -0.20 5.22 1.51 -0.77 -4.99 117.35 117.72 2gri s TYR 43 Ca 0.32 -0.10 -0.14 0.00 -1.01 0.00 0.00 57.07 56.14 2gri s TYR 43 Cb -0.21 -0.38 -0.04 0.00 -0.11 0.00 0.00 41.96 41.22 2gri s TYR 43 CO 0.22 -0.04 0.30 0.99 -1.11 0.00 0.00 175.55 175.90 2gri s THR 44 N 0.10 5.27 -0.31 -0.71 2.01 -1.26 -1.69 115.64 119.06 2gri s THR 44 Ca -0.01 0.51 -0.04 0.00 0.31 0.00 0.00 61.69 62.46 2gri s THR 44 Cb -0.05 -3.64 0.04 0.00 0.01 0.00 0.00 72.50 68.87 2gri s THR 44 CO -0.00 0.31 0.04 -0.69 -0.69 0.00 0.00 174.62 173.59 2gri s VAL 45 N 1.03 3.35 1.25 3.82 1.01 -1.10 -4.88 120.40 124.89 2gri s VAL 45 Ca 0.15 -1.20 -0.19 0.00 0.00 0.00 0.00 61.98 60.74 2gri s VAL 45 Cb -0.14 -2.87 0.28 0.00 0.00 0.00 0.00 36.38 33.64 2gri s VAL 45 CO 0.06 -0.09 0.62 1.21 0.00 0.00 0.00 175.10 176.90 2gri n GLU 46 N 4.72 -3.39 -0.12 2.72 2.13 -1.26 -0.56 120.64 124.88 2gri n GLU 46 Ca -0.13 -1.00 -0.11 0.00 0.66 0.00 0.00 57.16 56.58 2gri n GLU 46 Cb 0.45 -1.79 0.01 0.00 0.27 0.00 0.00 31.44 30.38 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 -3.05 0.95 -3.93 4.31 0.87 -1.67 -3.38 113.55 107.66 2gri h SER 47 Ca -0.40 -0.40 -0.70 0.00 -1.23 0.00 0.00 61.79 59.06 2gri h SER 47 Cb 1.15 -0.26 -0.35 0.00 -0.44 0.00 0.00 62.40 62.50 2gri h SER 47 CO 0.27 1.17 -0.27 -0.83 -0.53 0.00 0.00 176.83 176.64 2gri s GLY 48 N -3.83 2.68 0.05 5.77 0.00 -1.26 -5.05 107.32 105.68 2gri s GLY 48 Ca -0.11 -3.44 0.02 0.00 0.00 0.00 0.00 44.72 41.19 2gri s GLY 48 CO 0.87 1.13 -0.08 -1.59 0.00 0.00 0.00 173.10 173.43 2gri s THR 49 N -0.44 0.56 0.21 0.90 2.01 -1.26 -5.16 115.64 112.46 2gri s THR 49 Ca 0.20 -1.13 0.06 0.00 0.31 0.00 0.00 61.69 61.13 2gri s THR 49 Cb -0.16 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 2gri s THR 49 CO -0.06 -0.41 0.13 -1.61 -0.69 0.00 0.00 174.62 171.98 2gri s GLU 50 N -1.71 2.79 0.40 4.92 0.41 -1.26 -4.99 118.70 119.27 2gri s GLU 50 Ca -0.09 -1.02 0.28 0.00 -0.41 0.00 0.00 54.97 53.74 2gri s GLU 50 Cb -0.09 -2.54 1.43 0.00 -1.78 0.00 0.00 34.13 31.16 2gri s GLU 50 CO 0.00 0.44 1.85 0.28 -0.49 0.00 0.00 175.26 177.34 2gri h VAL 51 N 1.87 0.00 0.00 2.63 2.07 -1.97 -0.93 116.25 119.93 2gri h VAL 51 Ca -0.48 -0.08 -0.11 0.00 0.82 0.00 0.00 66.70 66.85 2gri h VAL 51 Cb 1.22 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 2gri h VAL 51 CO 0.61 0.00 -1.42 1.07 0.02 0.00 0.00 177.57 177.85 2gri n THR 52 N -2.50 0.86 -0.05 2.57 5.66 -1.26 -4.09 114.28 115.48 2gri n THR 52 Ca -0.01 -0.63 -0.01 0.00 -3.05 0.00 0.00 64.05 60.35 2gri n THR 52 Cb 0.10 -0.50 0.25 0.00 -1.55 0.00 0.00 70.33 68.64 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 4.81 -1.56 -2.02 114.58 117.55 2gri h GLU 53 Ca -0.12 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 58.92 2gri h GLU 53 Cb 1.36 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 2gri h GLU 53 CO 0.02 0.63 -0.26 0.74 -0.73 0.00 0.00 179.01 179.41 2gri h PHE 54 N 0.62 0.00 0.00 0.92 0.04 -1.70 -2.74 116.94 114.08 2gri h PHE 54 Ca 0.13 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.89 2gri h PHE 54 Cb 0.32 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.46 2gri h PHE 54 CO 0.01 0.26 -0.07 0.00 -0.60 0.00 0.00 178.31 177.92 2gri h ALA 55 N 1.74 1.19 -0.37 2.45 0.00 -1.52 0.47 119.26 123.22 2gri h ALA 55 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2gri h ALA 55 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2gri h ALA 55 CO 0.03 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.37 2gri n VAL 57 N 0.39 0.00 1.14 0.00 0.31 -0.63 -4.50 118.33 115.04 2gri n VAL 57 Ca 0.15 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.60 2gri n VAL 57 Cb 0.56 -0.91 0.22 0.00 -0.91 0.00 0.00 33.84 32.80 2gri n VAL 57 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2gri n VAL 58 N -2.08 0.00 -0.03 2.52 0.31 0.06 -3.09 118.33 116.03 2gri n VAL 58 Ca 0.00 -0.16 0.05 0.00 -0.01 0.00 0.00 64.34 64.22 2gri n VAL 58 Cb 0.50 0.71 -0.15 0.00 -0.91 0.00 0.00 33.84 33.98 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 -0.52 2.38 -0.06 3.52 0.00 -1.26 -4.01 120.51 120.56 2gri n ALA 59 Ca 0.10 -0.73 -0.10 0.00 0.00 0.00 0.00 53.44 52.71 2gri n ALA 59 Cb 0.39 -0.63 -0.15 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.45 0.67 -0.00 0.00 -0.00 -1.26 -3.68 120.64 113.91 2gri n GLU 60 Ca -0.12 0.14 0.15 0.00 -0.00 0.00 0.00 57.16 57.33 2gri n GLU 60 Cb 0.75 -1.65 0.84 0.00 -0.00 0.00 0.00 31.44 31.38 2gri n GLU 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2gri n ALA 61 N -2.70 2.66 -0.08 -1.84 0.00 -1.18 -3.52 120.51 113.85 2gri n ALA 61 Ca -0.27 -0.25 -0.10 0.00 0.00 0.00 0.00 53.44 52.83 2gri n ALA 61 Cb 1.10 -1.43 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 2gri n ALA 61 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2gri n VAL 62 N -0.74 1.02 0.20 0.00 0.24 -1.26 -4.27 118.33 113.51 2gri n VAL 62 Ca 0.22 -0.52 -0.09 0.00 -2.04 0.00 0.00 64.34 61.91 2gri n VAL 62 Cb 0.16 -0.85 -0.04 0.00 -1.47 0.00 0.00 33.84 31.64 2gri n VAL 62 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 2gri h VAL 63 N 0.00 0.00 -0.97 3.34 2.07 -1.63 0.34 116.25 119.40 2gri h VAL 63 Ca -0.40 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.32 2gri h VAL 63 Cb 1.78 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.46 2gri h VAL 63 CO -0.02 0.00 0.61 0.07 0.02 0.00 0.00 177.57 178.26 2gri h LYS 64 N -0.54 0.59 -0.05 1.57 2.10 -1.84 0.26 116.57 118.65 2gri h LYS 64 Ca -0.05 -0.04 -0.11 0.00 -2.00 0.00 0.00 60.65 58.45 2gri h LYS 64 Cb 0.43 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.62 2gri h LYS 64 CO 0.05 0.39 -0.49 1.15 -2.00 0.00 0.00 179.45 178.55 2gri h THR 65 N 0.61 1.35 -1.76 0.07 2.02 -1.68 -3.19 112.91 110.33 2gri h THR 65 Ca 0.53 -1.70 -0.68 0.00 0.77 0.00 0.00 66.41 65.33 2gri h THR 65 Cb 1.02 1.86 -0.34 0.00 -1.74 0.00 0.00 68.15 68.95 2gri h THR 65 CO -0.29 0.50 0.21 0.18 0.37 0.00 0.00 175.52 176.49 2gri n LEU 66 N -3.96 6.19 -1.79 2.58 4.77 0.12 -4.63 117.00 120.28 2gri n LEU 66 Ca -0.02 -5.01 -0.08 0.00 -0.03 0.00 0.00 56.01 50.87 2gri n LEU 66 Cb 0.52 -0.78 0.07 0.00 -2.33 0.00 0.00 43.42 40.91 2gri n LEU 66 CO 0.42 1.99 0.17 0.00 -1.33 0.00 0.00 177.39 178.63 2gri n GLN 67 N -0.52 2.24 -0.03 3.23 6.02 -0.89 -4.81 117.38 122.62 2gri n GLN 67 Ca 0.47 -3.54 -0.13 0.00 -0.01 0.00 0.00 57.00 53.79 2gri n GLN 67 Cb 0.44 -1.68 -0.09 0.00 1.02 0.00 0.00 30.24 29.94 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 1.84 0.14 -0.54 -1.09 0.13 -1.85 -3.41 132.00 127.21 2gri h PRO 68 Ca 0.09 -0.07 -0.31 0.00 -0.87 0.00 0.00 66.00 64.84 2gri h PRO 68 Cb 1.40 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.31 2gri h PRO 68 CO 0.36 0.59 -0.65 1.33 -0.23 0.00 0.00 178.00 179.40 2gri n VAL 69 N -4.74 -0.06 0.31 1.56 0.24 -1.26 -4.95 118.33 109.44 2gri n VAL 69 Ca -0.08 -2.33 0.10 0.00 -2.04 0.00 0.00 64.34 60.00 2gri n VAL 69 Cb 0.29 0.98 0.45 0.00 -1.47 0.00 0.00 33.84 34.10 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 0.44 0.49 0.26 -1.34 3.41 -1.26 -2.19 113.62 113.42 2gri n SER 70 Ca 0.11 0.65 0.17 0.00 -0.26 0.00 0.00 58.87 59.55 2gri n SER 70 Cb 0.68 -0.74 0.90 0.00 -0.26 0.00 0.00 64.21 64.79 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 0.11 4.04 3.32 -1.96 -2.04 116.42 119.89 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 0.22 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 2gri h ASP 71 CO 0.00 0.00 -2.21 0.00 -1.72 0.00 0.00 179.24 175.31 2gri n LEU 72 N -2.73 1.85 0.13 1.55 -0.00 -0.93 -4.25 117.00 112.62 2gri n LEU 72 Ca -0.02 0.07 0.05 0.00 -0.00 0.00 0.00 56.01 56.12 2gri n LEU 72 Cb 0.09 -0.46 0.49 0.00 -0.00 0.00 0.00 43.42 43.54 2gri n LEU 72 CO 0.17 0.72 1.05 -0.07 -0.00 0.00 0.00 177.39 179.26 2gri h LEU 73 N 0.02 0.23 -1.21 1.47 3.38 -1.50 -0.59 115.31 117.11 2gri h LEU 73 Ca -0.48 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2gri h LEU 73 Cb 2.03 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.73 2gri h LEU 73 CO 0.01 0.23 0.00 0.74 0.09 0.00 0.00 178.44 179.51 2gri h THR 74 N 0.26 0.00 0.00 0.22 2.02 -1.37 -1.20 112.91 112.84 2gri h THR 74 Ca 0.07 -0.42 -0.07 0.00 0.77 0.00 0.00 66.41 66.77 2gri h THR 74 Cb 0.09 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2gri h THR 74 CO -0.00 0.00 -0.31 0.78 0.37 0.00 0.00 175.52 176.36 2gri h ASN 75 N 0.00 0.00 0.00 4.18 2.35 -1.28 -3.22 115.58 117.61 2gri h ASN 75 Ca 0.00 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.60 2gri h ASN 75 Cb 0.46 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.80 2gri h ASN 75 CO 0.00 0.31 -2.04 1.15 -1.65 0.00 0.00 177.43 175.20 2gri n MET 76 N -3.35 0.81 0.00 0.81 0.00 -0.96 -5.01 117.12 109.42 2gri n MET 76 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 57.70 57.61 2gri n MET 76 Cb 0.53 -1.46 0.00 0.00 0.00 0.00 0.00 33.22 32.29 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 1.63 2.45 3.53 3.17 0.00 -0.56 -5.08 105.19 110.32 2gri n GLY 77 Ca -0.15 -0.40 -0.46 0.00 0.00 0.00 0.00 46.02 45.00 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 0.25 -3.47 -0.61 5.41 -0.58 -4.81 119.36 115.55 2gri n ILE 78 Ca 0.00 -0.39 -0.37 0.00 1.00 0.00 0.00 62.75 62.99 2gri n ILE 78 Cb 0.00 -2.15 -0.06 0.00 -0.71 0.00 0.00 39.64 36.71 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 8.11 6.61 -0.08 4.38 -1.08 -1.26 -3.02 116.67 130.33 2gri s ASP 79 Ca 1.05 0.72 0.07 0.00 -0.52 0.00 0.00 52.55 53.87 2gri s ASP 79 Cb -0.57 -2.23 -0.24 0.00 -1.46 0.00 0.00 42.92 38.43 2gri s ASP 79 CO 0.41 0.14 0.53 -0.11 0.52 0.00 0.00 175.17 176.65 2gri n LEU 80 N 3.11 1.39 0.27 -1.34 -0.00 -1.26 -3.94 117.00 115.23 2gri n LEU 80 Ca -0.11 0.32 0.15 0.00 -0.00 0.00 0.00 56.01 56.37 2gri n LEU 80 Cb 0.52 -0.21 0.69 0.00 -0.00 0.00 0.00 43.42 44.41 2gri n LEU 80 CO 0.40 0.54 0.96 0.44 -0.00 0.00 0.00 177.39 179.74 2gri h ASP 81 N 0.02 0.00 0.89 1.96 5.19 -1.98 -2.63 116.42 119.87 2gri h ASP 81 Ca -0.35 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 55.86 2gri h ASP 81 Cb 2.03 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.52 2gri h ASP 81 CO 0.08 0.07 -0.96 1.05 -3.12 0.00 0.00 179.24 176.36 2gri h GLU 82 N 0.00 0.04 -1.01 3.56 4.11 -1.93 -3.27 114.58 116.08 2gri h GLU 82 Ca -0.00 -0.05 0.15 0.00 0.07 0.00 0.00 59.36 59.53 2gri h GLU 82 Cb 0.49 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.67 2gri h GLU 82 CO 0.01 0.96 0.62 -1.49 0.07 0.00 0.00 179.01 179.19 2gri h TRP 83 N 0.01 1.11 -0.04 2.06 4.06 -1.59 0.28 115.95 121.85 2gri h TRP 83 Ca -0.02 0.03 -0.13 0.00 2.06 0.00 0.00 58.89 60.83 2gri h TRP 83 Cb 1.67 -0.35 -0.01 0.00 -1.00 0.00 0.00 29.16 29.47 2gri h TRP 83 CO 0.01 0.35 -0.58 1.03 -3.56 0.00 0.00 178.44 175.68 2gri h SER 84 N 0.89 0.15 -0.84 -3.49 0.87 -1.68 -3.16 113.55 106.30 2gri h SER 84 Ca 0.54 -0.09 -0.59 0.00 -1.23 0.00 0.00 61.79 60.43 2gri h SER 84 Cb 0.68 -0.04 -0.36 0.00 -0.44 0.00 0.00 62.40 62.24 2gri h SER 84 CO -0.32 0.70 -0.07 1.33 -0.53 0.00 0.00 176.83 177.94 2gri n VAL 85 N -3.87 2.99 -3.85 2.23 0.24 0.22 -4.93 118.33 111.37 2gri n VAL 85 Ca -0.02 -3.60 -0.13 0.00 -2.04 0.00 0.00 64.34 58.55 2gri n VAL 85 Cb 0.60 -1.11 -0.01 0.00 -1.47 0.00 0.00 33.84 31.85 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 -0.82 0.35 -3.65 2.33 0.00 0.73 -4.95 120.51 114.50 2gri n ALA 86 Ca 0.51 -1.05 -0.38 0.00 0.00 0.00 0.00 53.44 52.53 2gri n ALA 86 Cb 0.85 0.47 -0.11 0.00 0.00 0.00 0.00 19.45 20.66 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 -1.42 3.65 -0.42 0.00 2.01 -1.26 -5.05 115.64 113.15 2gri s THR 87 Ca 0.11 -1.88 -0.16 0.00 0.31 0.00 0.00 61.69 60.06 2gri s THR 87 Cb -0.01 -3.43 0.02 0.00 0.01 0.00 0.00 72.50 69.09 2gri s THR 87 CO 0.07 -0.68 0.38 -0.36 -0.69 0.00 0.00 174.62 173.35 2gri s PHE 88 N 1.24 3.20 -0.08 4.92 0.40 -1.26 -4.62 117.98 121.78 2gri s PHE 88 Ca 0.06 -0.45 -0.14 0.00 -0.60 0.00 0.00 56.93 55.80 2gri s PHE 88 Cb -0.24 -2.78 -0.05 0.00 0.51 0.00 0.00 43.02 40.47 2gri s PHE 88 CO -0.02 -0.66 0.35 0.71 0.70 0.00 0.00 175.22 176.30 2gri s TYR 89 N 1.96 3.60 -0.06 0.36 2.02 -0.49 -4.77 117.35 119.97 2gri s TYR 89 Ca 0.09 0.80 -0.11 0.00 -0.37 0.00 0.00 57.07 57.48 2gri s TYR 89 Cb -0.18 -2.30 -0.05 0.00 -0.40 0.00 0.00 41.96 39.03 2gri s TYR 89 CO 0.12 0.46 0.29 -0.51 -1.57 0.00 0.00 175.55 174.34 2gri s LEU 90 N -0.34 4.42 0.00 -1.29 2.01 -1.26 -2.05 118.68 120.18 2gri s LEU 90 Ca 0.21 0.73 -0.02 0.00 0.01 0.00 0.00 54.13 55.06 2gri s LEU 90 Cb -0.15 -2.36 0.01 0.00 0.01 0.00 0.00 46.19 43.70 2gri s LEU 90 CO 0.09 0.34 0.43 0.49 1.01 0.00 0.00 176.35 178.71 2gri n PHE 91 N 2.03 -1.33 -3.93 0.29 3.72 -1.10 -4.04 117.46 113.09 2gri n PHE 91 Ca -0.16 -2.08 -0.08 0.00 -0.05 0.00 0.00 57.45 55.07 2gri n PHE 91 Cb 0.53 0.49 -0.02 0.00 -0.94 0.00 0.00 39.48 39.54 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 -1.69 -0.57 0.00 4.37 5.68 -0.61 -0.07 116.55 123.67 2gri n ASP 92 Ca 0.01 -2.01 0.10 0.00 -0.50 0.00 0.00 54.79 52.38 2gri n ASP 92 Cb 0.52 1.13 0.49 0.00 -1.14 0.00 0.00 41.12 42.12 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 -2.04 0.00 -0.77 -1.12 5.75 -1.26 -2.17 116.55 114.94 2gri n ASP 93 Ca 0.02 0.08 0.12 0.00 -0.01 0.00 0.00 54.79 55.00 2gri n ASP 93 Cb 0.30 -0.32 0.30 0.00 -1.03 0.00 0.00 41.12 40.37 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 -1.32 2.50 -2.16 2.12 0.00 -1.26 -4.94 120.51 115.45 2gri n ALA 94 Ca 0.09 -0.63 -0.10 0.00 0.00 0.00 0.00 53.44 52.80 2gri n ALA 94 Cb 0.17 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 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 1.28 -0.00 3.20 0.00 0.00 -0.92 -5.03 105.19 103.72 2gri n GLY 95 Ca 0.17 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.44 0.91 -1.22 1.61 -1.05 -1.26 -4.93 118.70 108.32 2gri s GLU 96 Ca 0.00 -1.27 -0.12 0.00 -0.15 0.00 0.00 54.97 53.43 2gri s GLU 96 Cb 0.00 -0.50 0.18 0.00 -0.44 0.00 0.00 34.13 33.37 2gri s GLU 96 CO 0.00 0.06 1.51 -1.91 0.95 0.00 0.00 175.26 175.87 2gri n GLU 97 N 0.24 3.47 -3.71 -4.83 2.13 -1.26 -1.57 120.64 115.11 2gri n GLU 97 Ca -0.14 -3.85 -0.20 0.00 0.66 0.00 0.00 57.16 53.63 2gri n GLU 97 Cb 0.59 -2.96 -0.04 0.00 0.27 0.00 0.00 31.44 29.29 2gri n GLU 97 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2gri n ASN 98 N 4.91 2.64 -2.97 4.31 5.03 -1.26 -4.93 115.26 123.00 2gri n ASN 98 Ca 0.36 -2.44 -0.27 0.00 0.87 0.00 0.00 54.58 53.10 2gri n ASN 98 Cb 0.41 0.30 -0.04 0.00 -1.02 0.00 0.00 39.78 39.42 2gri n ASN 98 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 2gri n PHE 99 N -0.79 4.02 -1.42 3.10 -1.74 -1.26 -4.59 117.46 114.78 2gri n PHE 99 Ca -0.12 -4.01 -0.15 0.00 -0.56 0.00 0.00 57.45 52.61 2gri n PHE 99 Cb 0.41 -0.49 0.10 0.00 1.52 0.00 0.00 39.48 41.03 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 -0.19 -0.04 -0.10 5.98 2.88 -1.26 -4.90 113.62 115.99 2gri n SER 100 Ca 0.31 -1.22 0.26 0.00 -1.33 0.00 0.00 58.87 56.89 2gri n SER 100 Cb 0.39 -0.51 0.72 0.00 -0.75 0.00 0.00 64.21 64.06 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 -0.94 0.00 -3.45 -3.46 0.87 -1.97 -3.39 113.55 101.22 2gri h SER 101 Ca -0.22 0.00 -0.42 0.00 -1.23 0.00 0.00 61.79 59.92 2gri h SER 101 Cb 0.60 0.00 -0.34 0.00 -0.44 0.00 0.00 62.40 62.22 2gri h SER 101 CO 0.15 0.00 -0.78 -0.60 -0.53 0.00 0.00 176.83 175.07 2gri s ARG 102 N -4.92 0.94 -0.09 2.24 6.06 -1.26 -2.58 118.95 119.33 2gri s ARG 102 Ca -0.05 -0.14 0.01 0.00 -2.50 0.00 0.00 55.73 53.05 2gri s ARG 102 Cb 0.20 -0.92 0.02 0.00 0.06 0.00 0.00 34.95 34.31 2gri s ARG 102 CO 0.73 -0.07 -0.10 0.00 -2.50 0.00 0.00 175.30 173.35 2gri s MET 103 N 0.91 1.62 0.64 5.12 0.23 -0.27 -4.62 119.30 122.93 2gri s MET 103 Ca -0.11 -0.34 -0.09 0.00 -1.03 0.00 0.00 55.69 54.12 2gri s MET 103 Cb -0.14 -1.49 0.00 0.00 -1.53 0.00 0.00 34.83 31.67 2gri s MET 103 CO 0.00 -0.11 1.00 0.71 -2.03 0.00 0.00 175.02 174.60 2gri s TYR 104 N 1.14 3.36 -0.48 3.16 2.02 0.90 -3.96 117.35 123.49 2gri s TYR 104 Ca -0.06 0.93 0.04 0.00 -0.37 0.00 0.00 57.07 57.61 2gri s TYR 104 Cb -0.14 -2.86 0.12 0.00 -0.40 0.00 0.00 41.96 38.68 2gri s TYR 104 CO -0.02 -0.93 0.22 0.00 -1.57 0.00 0.00 175.55 173.24 2gri s SER 106 N -0.04 6.05 0.08 0.00 1.04 -0.87 -4.32 113.70 115.63 2gri s SER 106 Ca 0.16 0.36 -0.07 0.00 0.48 0.00 0.00 55.95 56.87 2gri s SER 106 Cb -0.25 -1.91 -0.26 0.00 0.10 0.00 0.00 66.02 63.71 2gri s SER 106 CO -0.02 0.38 1.15 2.19 0.98 0.00 0.00 173.24 177.93 2gri h PHE 107 N 5.15 0.65 -4.19 5.02 -5.15 -1.85 -1.29 116.94 115.29 2gri h PHE 107 Ca -0.53 -0.44 -0.50 0.00 -0.20 0.00 0.00 57.97 56.30 2gri h PHE 107 Cb 1.21 -0.04 0.09 0.00 0.22 0.00 0.00 35.95 37.43 2gri h PHE 107 CO 0.71 1.32 0.38 1.52 -2.00 0.00 0.00 178.31 180.24 2gri s TYR 108 N -2.81 2.76 0.96 6.09 1.13 -1.26 -4.62 117.35 119.60 2gri s TYR 108 Ca -0.06 1.54 -0.12 0.00 -1.41 0.00 0.00 57.07 57.02 2gri s TYR 108 Cb 0.07 -3.12 0.16 0.00 -1.10 0.00 0.00 41.96 37.97 2gri s TYR 108 CO 0.90 -1.46 1.09 -1.25 -2.51 0.00 0.00 175.55 172.32 2gri s PRO 109 N -4.02 0.77 -0.02 -3.49 0.04 -1.26 -4.69 135.00 122.34 2gri s PRO 109 Ca 0.66 0.65 -0.22 0.00 0.04 0.00 0.00 61.00 62.13 2gri s PRO 109 Cb -0.19 -1.77 -0.15 0.00 0.04 0.00 0.00 34.50 32.43 2gri s PRO 109 CO 0.38 -2.53 1.01 -1.00 0.04 0.00 0.00 177.00 174.90 2gri h PRO 110 N -1.75 -0.39 0.00 0.56 0.13 -1.96 -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 -0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 178.03 2gri n ASP 111 N -5.08 0.00 0.00 1.44 8.00 -1.26 -5.16 116.55 114.50 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 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 2gri n ASP 111 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02