#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3grb h PRO 11 N 0.00 0.27 -3.31 0.00 0.11 -1.90 -3.42 132.00 123.74 3grb h PRO 11 Ca 0.00 -0.05 -0.33 0.00 0.11 0.00 0.00 66.00 65.73 3grb h PRO 11 Cb 0.00 -0.04 -0.37 0.00 0.11 0.00 0.00 31.00 30.70 3grb h PRO 11 CO 0.00 0.37 -0.71 -1.17 -0.21 0.00 0.00 178.00 176.28 3grb s LEU 12 N -8.87 0.37 0.03 2.35 2.96 -1.26 -0.74 118.68 113.53 3grb s LEU 12 Ca -0.06 0.14 0.06 0.00 -0.22 0.00 0.00 54.13 54.05 3grb s LEU 12 Cb 0.16 -0.00 -0.02 0.00 0.50 0.00 0.00 46.19 46.82 3grb s LEU 12 CO 0.73 -0.21 -0.17 -0.32 -1.32 0.00 0.00 176.35 175.06 3grb s MET 13 N 1.84 1.16 -0.07 1.98 -2.45 0.23 -4.33 119.30 117.65 3grb s MET 13 Ca 0.00 -0.79 0.04 0.00 -1.25 0.00 0.00 55.69 53.69 3grb s MET 13 Cb -0.12 -1.20 -0.00 0.00 1.25 0.00 0.00 34.83 34.76 3grb s MET 13 CO -0.04 0.31 -0.21 0.08 1.05 0.00 0.00 175.02 176.21 3grb s VAL 14 N -0.75 1.81 -0.11 10.11 1.01 -0.90 -0.76 120.40 130.82 3grb s VAL 14 Ca 0.05 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3grb s VAL 14 Cb -0.08 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.75 3grb s VAL 14 CO 0.01 0.51 -0.15 -0.75 0.00 0.00 0.00 175.10 174.72 3grb s LYS 15 N 0.21 2.21 -0.14 2.72 2.20 -0.02 -0.30 119.74 126.61 3grb s LYS 15 Ca -0.12 -0.56 0.02 0.00 -0.36 0.00 0.00 55.97 54.95 3grb s LYS 15 Cb -0.15 -1.89 0.00 0.00 -1.51 0.00 0.00 37.83 34.28 3grb s LYS 15 CO 0.06 -0.07 -0.19 0.08 -0.36 0.00 0.00 175.35 174.86 3grb s VAL 16 N 1.01 2.32 -0.05 4.02 1.01 0.71 -0.37 120.40 129.04 3grb s VAL 16 Ca -0.06 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.05 3grb s VAL 16 Cb -0.15 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3grb s VAL 16 CO -0.02 0.54 -0.14 -0.76 0.00 0.00 0.00 175.10 174.72 3grb s LEU 17 N 0.75 2.77 -0.52 3.92 1.43 0.61 -1.55 118.68 126.09 3grb s LEU 17 Ca -0.08 -0.18 -0.25 0.00 -1.03 0.00 0.00 54.13 52.58 3grb s LEU 17 Cb -0.16 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.53 3grb s LEU 17 CO 0.00 0.34 0.98 -0.62 0.23 0.00 0.00 176.35 177.29 3grb s ASP 18 N -0.71 6.43 0.16 2.29 -1.08 -0.42 -0.70 116.67 122.64 3grb s ASP 18 Ca 0.11 -0.08 0.27 0.00 -0.52 0.00 0.00 52.55 52.33 3grb s ASP 18 Cb -0.11 -2.46 0.89 0.00 -1.46 0.00 0.00 42.92 39.78 3grb s ASP 18 CO 0.01 -1.20 1.80 0.00 0.52 0.00 0.00 175.17 176.29 3grb n ALA 19 N 7.52 2.32 0.06 3.66 0.00 0.46 -1.41 120.51 133.11 3grb n ALA 19 Ca 0.05 -0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 3grb n ALA 19 Cb 0.48 -1.46 -0.15 0.00 0.00 0.00 0.00 19.45 18.32 3grb n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3grb h VAL 20 N 0.00 1.45 0.00 0.00 2.07 -1.92 -3.38 116.25 114.47 3grb h VAL 20 Ca 0.00 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 64.97 3grb h VAL 20 Cb 0.69 3.15 0.00 0.00 -1.52 0.00 0.00 31.29 33.60 3grb h VAL 20 CO 0.00 0.73 -1.19 0.54 0.02 0.00 0.00 177.57 177.67 3grb n ARG 21 N -4.06 0.40 -2.63 1.57 1.74 -1.23 -5.01 116.66 107.44 3grb n ARG 21 Ca -0.15 -0.05 -0.07 0.00 -0.77 0.00 0.00 57.85 56.81 3grb n ARG 21 Cb 0.87 -1.46 0.04 0.00 -1.02 0.00 0.00 32.46 30.88 3grb n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3grb n GLY 22 N 1.44 0.12 3.24 -0.13 0.00 -0.50 -5.05 105.19 104.30 3grb n GLY 22 Ca 0.02 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 3grb n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3grb s SER 23 N -3.54 0.35 0.50 1.61 0.01 -1.16 -5.03 113.70 106.44 3grb s SER 23 Ca 0.02 -1.41 -0.22 0.00 1.31 0.00 0.00 55.95 55.65 3grb s SER 23 Cb -0.01 0.42 -0.07 0.00 0.21 0.00 0.00 66.02 66.58 3grb s SER 23 CO 0.31 -0.89 1.18 -2.16 0.41 0.00 0.00 173.24 172.08 3grb s PRO 24 N -4.04 3.55 -0.38 12.44 0.04 -1.26 -1.30 135.00 144.04 3grb s PRO 24 Ca 0.38 1.78 -0.25 0.00 0.04 0.00 0.00 61.00 62.96 3grb s PRO 24 Cb 0.06 -2.27 0.02 0.00 0.04 0.00 0.00 34.50 32.35 3grb s PRO 24 CO 0.14 -0.73 0.87 0.00 0.04 0.00 0.00 177.00 177.32 3grb s ALA 25 N -1.58 3.38 -0.09 8.56 0.00 -0.60 -4.56 121.76 126.88 3grb s ALA 25 Ca 0.67 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 52.01 3grb s ALA 25 Cb -0.29 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.31 3grb s ALA 25 CO 0.34 -1.65 0.02 0.42 0.00 0.00 0.00 175.76 174.89 3grb s ILE 26 N 3.37 4.46 -1.48 0.00 1.01 -1.26 -4.14 121.20 123.16 3grb s ILE 26 Ca 0.35 -0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.74 3grb s ILE 26 Cb -0.12 -2.88 0.02 0.00 0.01 0.00 0.00 42.46 39.48 3grb s ILE 26 CO 0.19 0.61 0.84 0.59 0.00 0.00 0.00 174.94 177.17 3grb n ASN 27 N 2.14 -6.02 -4.79 3.58 3.02 -0.52 -4.93 115.26 107.75 3grb n ASN 27 Ca -0.19 -0.42 -0.36 0.00 -0.03 0.00 0.00 54.58 53.58 3grb n ASN 27 Cb 0.54 -4.81 -0.07 0.00 -0.61 0.00 0.00 39.78 34.83 3grb n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3grb s VAL 28 N -3.23 5.35 0.17 2.41 1.01 -1.26 -4.72 120.40 120.13 3grb s VAL 28 Ca 0.44 0.41 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 3grb s VAL 28 Cb -0.20 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.57 3grb s VAL 28 CO 0.54 0.49 1.20 0.00 0.00 0.00 0.00 175.10 177.33 3grb s ALA 29 N -0.19 3.44 -0.13 5.51 0.00 -1.26 -1.29 121.76 127.83 3grb s ALA 29 Ca 0.15 0.94 -0.00 0.00 0.00 0.00 0.00 51.96 53.05 3grb s ALA 29 Cb -0.13 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.60 3grb s ALA 29 CO 0.04 -0.39 -0.10 0.08 0.00 0.00 0.00 175.76 175.39 3grb s VAL 30 N 0.13 1.26 -0.15 0.00 1.01 0.18 -1.10 120.40 121.72 3grb s VAL 30 Ca 0.54 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 3grb s VAL 30 Cb -0.32 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 3grb s VAL 30 CO 0.35 0.39 -0.05 -1.00 0.00 0.00 0.00 175.10 174.80 3grb s HIS 31 N 1.61 3.01 -0.06 5.22 3.76 0.00 -1.71 115.29 127.13 3grb s HIS 31 Ca 0.05 -0.33 0.02 0.00 -0.15 0.00 0.00 55.06 54.65 3grb s HIS 31 Cb -0.13 -1.95 -0.03 0.00 1.11 0.00 0.00 32.58 31.59 3grb s HIS 31 CO -0.09 -0.05 -0.11 0.08 -0.85 0.00 0.00 174.74 173.72 3grb s VAL 32 N 0.36 3.37 0.15 -0.90 1.01 0.14 -0.55 120.40 123.98 3grb s VAL 32 Ca -0.05 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.37 3grb s VAL 32 Cb -0.14 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 3grb s VAL 32 CO 0.03 0.59 -0.12 -0.36 0.00 0.00 0.00 175.10 175.24 3grb s PHE 33 N -0.78 1.40 -0.03 5.22 0.40 0.04 -0.52 117.98 123.70 3grb s PHE 33 Ca 0.12 -0.64 0.04 0.00 -0.60 0.00 0.00 56.93 55.85 3grb s PHE 33 Cb -0.11 -0.70 -0.01 0.00 0.51 0.00 0.00 43.02 42.71 3grb s PHE 33 CO 0.01 0.16 -0.17 0.50 0.70 0.00 0.00 175.22 176.42 3grb s ARG 34 N -3.30 1.63 -0.02 0.44 3.52 0.12 -1.14 118.95 120.19 3grb s ARG 34 Ca 0.15 -0.59 -0.30 0.00 -0.13 0.00 0.00 55.73 54.86 3grb s ARG 34 Cb -0.01 -1.46 -0.07 0.00 -1.56 0.00 0.00 34.95 31.85 3grb s ARG 34 CO 0.03 0.26 1.81 0.21 -0.81 0.00 0.00 175.30 176.80 3grb s LYS 35 N -0.05 4.12 0.75 5.12 2.47 0.32 -1.11 119.74 131.35 3grb s LYS 35 Ca -0.01 2.35 -0.02 0.00 -1.56 0.00 0.00 55.97 56.73 3grb s LYS 35 Cb -0.10 -4.08 0.13 0.00 -1.46 0.00 0.00 37.83 32.32 3grb s LYS 35 CO 0.01 -0.95 1.03 0.00 0.16 0.00 0.00 175.35 175.60 3grb s ALA 36 N 4.40 3.54 0.38 3.13 0.00 0.35 -4.75 121.76 128.82 3grb s ALA 36 Ca 0.81 -1.66 0.11 0.00 0.00 0.00 0.00 51.96 51.21 3grb s ALA 36 Cb -0.37 -2.09 0.89 0.00 0.00 0.00 0.00 23.12 21.54 3grb s ALA 36 CO 0.35 -1.56 1.91 0.00 0.00 0.00 0.00 175.76 176.46 3grb h ALA 37 N -0.64 1.91 -0.39 0.00 0.00 -1.93 -1.51 119.26 116.69 3grb h ALA 37 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3grb h ALA 37 Cb 1.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3grb h ALA 37 CO 0.40 -0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.15 3grb n ASP 38 N -4.51 4.01 0.00 0.00 5.68 -1.26 -4.88 116.55 115.59 3grb n ASP 38 Ca 0.15 -2.56 0.00 0.00 -0.50 0.00 0.00 54.79 51.87 3grb n ASP 38 Cb 0.43 -0.60 0.00 0.00 -1.14 0.00 0.00 41.12 39.82 3grb n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3grb n ASP 39 N 0.46 -1.74 -4.95 -1.12 9.92 -0.57 -5.01 116.55 113.55 3grb n ASP 39 Ca 0.18 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 54.20 3grb n ASP 39 Cb 0.84 -1.61 0.04 0.00 -0.64 0.00 0.00 41.12 39.75 3grb n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3grb s THR 40 N -2.06 3.16 -0.33 -3.53 -4.23 -1.26 -4.76 115.64 102.62 3grb s THR 40 Ca 0.00 -0.38 -0.22 0.00 -1.18 0.00 0.00 61.69 59.91 3grb s THR 40 Cb 0.00 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.61 3grb s THR 40 CO 0.00 -0.20 0.70 0.26 -0.54 0.00 0.00 174.62 174.84 3grb s TRP 41 N -2.86 3.17 -0.14 3.99 0.52 -1.26 -0.49 118.94 121.86 3grb s TRP 41 Ca 0.55 0.55 -0.16 0.00 0.02 0.00 0.00 56.10 57.06 3grb s TRP 41 Cb -0.10 -3.18 -0.04 0.00 -1.15 0.00 0.00 33.47 28.99 3grb s TRP 41 CO 0.41 -0.60 0.38 -2.00 0.02 0.00 0.00 176.95 175.16 3grb s GLU 42 N 2.83 4.30 0.06 4.98 2.12 -0.27 -4.87 118.70 127.85 3grb s GLU 42 Ca 0.28 0.27 -0.36 0.00 0.36 0.00 0.00 54.97 55.51 3grb s GLU 42 Cb -0.14 -3.43 -0.16 0.00 0.26 0.00 0.00 34.13 30.66 3grb s GLU 42 CO 0.14 0.20 1.44 -2.30 -0.54 0.00 0.00 175.26 174.20 3grb n PRO 43 N 3.62 1.39 -0.02 4.30 -0.02 -1.26 -0.71 135.00 142.30 3grb n PRO 43 Ca -0.10 0.50 -0.05 0.00 -2.02 0.00 0.00 63.50 61.84 3grb n PRO 43 Cb 0.52 -2.18 -0.02 0.00 -0.02 0.00 0.00 33.50 31.80 3grb n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3grb n PHE 44 N 3.09 0.00 -3.46 6.00 7.35 0.32 -4.81 117.46 125.94 3grb n PHE 44 Ca 0.19 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.75 3grb n PHE 44 Cb 0.21 -0.17 -0.03 0.00 0.35 0.00 0.00 39.48 39.84 3grb n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3grb s ALA 45 N -2.08 -1.69 0.11 3.13 0.00 -0.98 -5.01 121.76 115.24 3grb s ALA 45 Ca -0.06 0.83 -0.15 0.00 0.00 0.00 0.00 51.96 52.57 3grb s ALA 45 Cb 0.02 0.52 0.03 0.00 0.00 0.00 0.00 23.12 23.69 3grb s ALA 45 CO 0.08 -0.62 0.38 -1.54 0.00 0.00 0.00 175.76 174.06 3grb s SER 46 N -2.19 -0.20 -0.03 0.00 1.04 -1.26 0.24 113.70 111.29 3grb s SER 46 Ca -0.02 -0.31 -0.17 0.00 0.48 0.00 0.00 55.95 55.92 3grb s SER 46 Cb -0.01 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.62 3grb s SER 46 CO -0.05 -0.82 0.77 0.61 0.98 0.00 0.00 173.24 174.73 3grb n GLY 47 N -0.12 0.32 3.24 7.32 0.00 -0.69 -4.95 105.19 110.30 3grb n GLY 47 Ca -0.16 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.68 3grb n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3grb s LYS 48 N -2.00 1.19 0.53 1.61 1.02 -1.26 -0.65 119.74 120.17 3grb s LYS 48 Ca 0.18 -0.97 -0.20 0.00 0.02 0.00 0.00 55.97 54.99 3grb s LYS 48 Cb -0.00 -1.32 -0.06 0.00 -0.52 0.00 0.00 37.83 35.93 3grb s LYS 48 CO -0.01 0.32 1.17 0.95 -0.92 0.00 0.00 175.35 176.86 3grb s THR 49 N -0.95 2.97 0.76 2.17 -4.23 -0.41 -4.75 115.64 111.20 3grb s THR 49 Ca 0.05 0.65 -0.13 0.00 -1.18 0.00 0.00 61.69 61.09 3grb s THR 49 Cb -0.09 -3.29 0.18 0.00 1.34 0.00 0.00 72.50 70.64 3grb s THR 49 CO 0.02 -0.09 0.92 -1.54 -0.54 0.00 0.00 174.62 173.39 3grb n SER 50 N -1.10 -0.42 0.10 3.99 3.41 0.63 -1.44 113.62 118.79 3grb n SER 50 Ca 0.11 -1.25 0.19 0.00 -0.26 0.00 0.00 58.87 57.66 3grb n SER 50 Cb 0.49 -0.74 0.75 0.00 -0.26 0.00 0.00 64.21 64.46 3grb n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3grb h GLU 51 N 0.00 0.00 -0.22 4.33 4.39 -1.93 -1.27 114.58 119.88 3grb h GLU 51 Ca -0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.39 3grb h GLU 51 Cb 0.87 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 3grb h GLU 51 CO 0.21 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.93 3grb n SER 52 N -3.95 2.15 -0.24 1.42 3.41 -1.26 -4.81 113.62 110.34 3grb n SER 52 Ca 0.06 -1.79 -0.03 0.00 -0.26 0.00 0.00 58.87 56.85 3grb n SER 52 Cb 0.53 -0.14 -0.01 0.00 -0.26 0.00 0.00 64.21 64.32 3grb n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3grb n GLY 53 N 1.23 0.61 3.66 5.00 0.00 -0.48 -4.79 105.19 110.42 3grb n GLY 53 Ca 0.17 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 3grb n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3grb s GLU 54 N -1.59 2.69 -0.24 1.61 2.02 -1.26 -0.21 118.70 121.73 3grb s GLU 54 Ca 0.00 -0.67 -0.00 0.00 0.02 0.00 0.00 54.97 54.32 3grb s GLU 54 Cb 0.00 -2.61 0.07 0.00 0.10 0.00 0.00 34.13 31.69 3grb s GLU 54 CO 0.00 0.61 0.00 -1.17 0.02 0.00 0.00 175.26 174.72 3grb s LEU 55 N -1.59 2.18 0.32 1.80 0.20 0.59 -0.26 118.68 121.92 3grb s LEU 55 Ca 0.19 -1.18 0.07 0.00 0.69 0.00 0.00 54.13 53.91 3grb s LEU 55 Cb -0.11 -0.97 -0.03 0.00 -0.43 0.00 0.00 46.19 44.65 3grb s LEU 55 CO 0.10 -0.29 0.30 -1.00 -0.29 0.00 0.00 176.35 175.17 3grb s HIS 56 N 1.55 2.97 -0.35 5.38 3.76 -1.26 -2.11 115.29 125.22 3grb s HIS 56 Ca -0.01 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 54.64 3grb s HIS 56 Cb -0.18 -1.76 0.00 0.00 1.11 0.00 0.00 32.58 31.75 3grb s HIS 56 CO -0.10 0.21 0.00 0.41 -0.85 0.00 0.00 174.74 174.41 3grb n GLY 57 N -1.38 0.64 0.31 -2.22 0.00 -1.26 -4.93 105.19 96.35 3grb n GLY 57 Ca -0.03 -0.78 -0.07 0.00 0.00 0.00 0.00 46.02 45.15 3grb n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3grb h LEU 58 N 0.00 1.02 -8.40 0.99 3.38 -1.86 -3.47 115.31 106.97 3grb h LEU 58 Ca -0.07 -0.22 -0.19 0.00 0.09 0.00 0.00 57.88 57.49 3grb h LEU 58 Cb 0.24 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.65 3grb h LEU 58 CO 0.10 0.97 -0.15 0.28 0.09 0.00 0.00 178.44 179.73 3grb s THR 59 N -5.37 0.00 0.26 0.22 -1.32 -1.26 -4.72 115.64 103.44 3grb s THR 59 Ca -0.12 -1.51 0.11 0.00 -1.21 0.00 0.00 61.69 58.96 3grb s THR 59 Cb 0.14 -2.55 -0.05 0.00 -1.51 0.00 0.00 72.50 68.54 3grb s THR 59 CO 0.83 0.00 -0.18 0.42 -2.21 0.00 0.00 174.62 173.48 3grb s THR 60 N -3.27 2.61 0.25 5.08 -4.23 -1.26 -4.57 115.64 110.25 3grb s THR 60 Ca 0.27 -2.23 -0.02 0.00 -1.18 0.00 0.00 61.69 58.53 3grb s THR 60 Cb -0.01 -2.34 0.23 0.00 1.34 0.00 0.00 72.50 71.72 3grb s THR 60 CO 0.16 -0.32 1.77 -0.08 -0.54 0.00 0.00 174.62 175.61 3grb h GLU 61 N 2.45 0.62 0.00 3.99 4.81 -1.99 -1.61 114.58 122.86 3grb h GLU 61 Ca -0.42 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3grb h GLU 61 Cb 1.25 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3grb h GLU 61 CO 0.57 0.41 0.00 1.05 -0.73 0.00 0.00 179.01 180.32 3grb h GLU 62 N 0.64 0.00 0.00 1.92 9.09 -2.04 -2.94 114.58 121.26 3grb h GLU 62 Ca 0.44 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.64 3grb h GLU 62 Cb 0.57 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.64 3grb h GLU 62 CO -0.33 0.00 -1.09 0.93 0.05 0.00 0.00 179.01 178.57 3grb h GLU 63 N 0.00 0.00 -3.97 1.06 5.08 -1.76 -3.42 114.58 111.57 3grb h GLU 63 Ca 0.00 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.62 3grb h GLU 63 Cb 0.81 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.92 3grb h GLU 63 CO 0.00 0.76 2.08 0.34 -1.00 0.00 0.00 179.01 181.19 3grb n PHE 64 N -3.23 3.54 -2.04 4.33 7.35 -0.68 -4.97 117.46 121.76 3grb n PHE 64 Ca -0.04 -2.94 -0.28 0.00 -0.76 0.00 0.00 57.45 53.44 3grb n PHE 64 Cb 0.92 -2.13 0.08 0.00 0.35 0.00 0.00 39.48 38.69 3grb n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3grb s VAL 65 N 1.29 2.26 0.54 -2.13 -7.23 -1.26 -4.97 120.40 108.89 3grb s VAL 65 Ca 0.42 -0.09 -0.22 0.00 -1.81 0.00 0.00 61.98 60.29 3grb s VAL 65 Cb 0.07 -3.04 -0.06 0.00 0.56 0.00 0.00 36.38 33.92 3grb s VAL 65 CO -0.01 -0.05 1.28 -0.62 -0.31 0.00 0.00 175.10 175.39 3grb n GLU 66 N -3.11 1.58 -3.81 4.82 1.02 -1.26 -4.77 120.64 115.11 3grb n GLU 66 Ca 0.08 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 3grb n GLU 66 Cb 0.60 -2.48 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 3grb n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3grb n GLY 67 N 0.85 -1.49 3.48 0.62 0.00 -1.04 -4.99 105.19 102.63 3grb n GLY 67 Ca 0.11 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 3grb n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3grb s ILE 68 N -2.90 4.18 0.03 -0.61 1.01 -1.26 -0.36 121.20 121.29 3grb s ILE 68 Ca 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 60.65 60.50 3grb s ILE 68 Cb 0.00 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 3grb s ILE 68 CO 0.00 0.41 -0.23 -0.31 0.00 0.00 0.00 174.94 174.82 3grb s TYR 69 N 1.02 2.43 -0.16 3.97 1.51 -0.10 -0.52 117.35 125.50 3grb s TYR 69 Ca 0.03 -0.34 0.02 0.00 -1.01 0.00 0.00 57.07 55.76 3grb s TYR 69 Cb -0.14 -1.45 0.01 0.00 -0.11 0.00 0.00 41.96 40.27 3grb s TYR 69 CO 0.02 0.16 -0.20 0.21 -1.11 0.00 0.00 175.55 174.63 3grb s LYS 70 N -1.20 3.03 -0.25 -0.62 2.20 -0.30 -1.01 119.74 121.59 3grb s LYS 70 Ca 0.13 -0.83 -0.15 0.00 -0.36 0.00 0.00 55.97 54.76 3grb s LYS 70 Cb -0.10 -2.52 -0.04 0.00 -1.51 0.00 0.00 37.83 33.66 3grb s LYS 70 CO 0.03 -0.10 0.36 0.08 -0.36 0.00 0.00 175.35 175.35 3grb s VAL 71 N 1.03 5.20 -0.27 4.02 1.01 0.81 -0.78 120.40 131.41 3grb s VAL 71 Ca -0.02 0.55 -0.04 0.00 0.00 0.00 0.00 61.98 62.48 3grb s VAL 71 Cb -0.14 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.57 3grb s VAL 71 CO -0.06 0.19 0.01 -0.70 0.00 0.00 0.00 175.10 174.54 3grb s GLU 72 N 1.84 2.93 -0.23 2.72 2.12 0.29 -0.74 118.70 127.63 3grb s GLU 72 Ca 0.15 -0.94 -0.10 0.00 0.36 0.00 0.00 54.97 54.44 3grb s GLU 72 Cb -0.15 -3.17 -0.05 0.00 0.26 0.00 0.00 34.13 31.01 3grb s GLU 72 CO 0.09 -0.43 0.14 0.42 -0.54 0.00 0.00 175.26 174.94 3grb s ILE 73 N 1.40 5.28 -0.13 -3.70 1.01 0.52 -0.82 121.20 124.77 3grb s ILE 73 Ca 0.01 0.15 -0.29 0.00 0.00 0.00 0.00 60.65 60.52 3grb s ILE 73 Cb -0.17 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 3grb s ILE 73 CO -0.01 0.38 1.46 -1.81 0.00 0.00 0.00 174.94 174.96 3grb s ASP 74 N 0.86 6.77 0.00 3.58 1.11 -0.26 -0.75 116.67 127.98 3grb s ASP 74 Ca 0.07 1.90 0.00 0.00 0.18 0.00 0.00 52.55 54.70 3grb s ASP 74 Cb -0.13 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.33 3grb s ASP 74 CO 0.03 -0.88 0.75 0.35 1.18 0.00 0.00 175.17 176.59 3grb n THR 75 N 5.53 0.54 0.23 -1.27 -2.24 -0.63 -4.63 114.28 111.82 3grb n THR 75 Ca 0.16 -0.73 -0.16 0.00 -2.27 0.00 0.00 64.05 61.05 3grb n THR 75 Cb 0.44 0.77 -0.08 0.00 -2.10 0.00 0.00 70.33 69.35 3grb n THR 75 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3grb h LYS 76 N 0.00 -0.79 -0.26 -0.78 1.63 -1.75 -3.14 116.57 111.48 3grb h LYS 76 Ca 0.00 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3grb h LYS 76 Cb 0.34 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 3grb h LYS 76 CO 0.00 -0.53 0.00 -1.13 -3.45 0.00 0.00 179.45 174.34 3grb n SER 77 N -5.50 2.74 0.22 4.20 3.41 -1.26 -4.51 113.62 112.92 3grb n SER 77 Ca -0.10 -1.82 0.12 0.00 -0.26 0.00 0.00 58.87 56.80 3grb n SER 77 Cb 0.40 -0.17 0.71 0.00 -0.26 0.00 0.00 64.21 64.89 3grb n SER 77 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3grb h TYR 78 N 2.67 0.00 -0.01 7.33 3.20 -1.87 -2.45 116.97 125.85 3grb h TYR 78 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3grb h TYR 78 Cb 0.71 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.98 3grb h TYR 78 CO 0.17 0.00 -0.76 0.91 -1.64 0.00 0.00 178.16 176.84 3grb n TRP 79 N -4.35 0.00 -0.29 -3.82 5.03 -1.26 -4.65 117.44 108.10 3grb n TRP 79 Ca -0.01 0.00 0.06 0.00 3.03 0.00 0.00 57.50 60.58 3grb n TRP 79 Cb 0.18 -0.01 0.20 0.00 -1.03 0.00 0.00 31.31 30.66 3grb n TRP 79 CO 0.00 0.00 0.00 -0.22 -0.03 0.00 0.00 177.69 177.44 3grb h LYS 80 N 1.05 0.60 0.00 -0.99 3.64 -1.63 -0.14 116.57 119.11 3grb h LYS 80 Ca 0.00 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3grb h LYS 80 Cb 0.61 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3grb h LYS 80 CO 0.00 0.40 -0.13 0.00 -2.27 0.00 0.00 179.45 177.45 3grb h ALA 81 N 1.53 1.10 -0.00 5.00 0.00 -1.83 0.11 119.26 125.18 3grb h ALA 81 Ca 0.44 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3grb h ALA 81 Cb 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3grb h ALA 81 CO -0.34 0.16 -0.15 1.28 0.00 0.00 0.00 179.25 180.20 3grb n LEU 82 N -3.39 0.23 -0.45 0.00 4.77 -0.08 -4.96 117.00 113.12 3grb n LEU 82 Ca -0.01 0.25 -0.05 0.00 -0.03 0.00 0.00 56.01 56.17 3grb n LEU 82 Cb 0.31 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 3grb n LEU 82 CO 0.30 0.05 -0.05 0.61 -1.33 0.00 0.00 177.39 176.97 3grb n GLY 83 N 1.43 0.39 3.13 -0.72 0.00 0.38 -5.05 105.19 104.76 3grb n GLY 83 Ca 0.09 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 45.07 3grb n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3grb s ILE 84 N -2.20 1.55 -0.08 -0.61 1.01 -1.25 -5.06 121.20 114.57 3grb s ILE 84 Ca 0.00 -0.75 -0.17 0.00 0.00 0.00 0.00 60.65 59.73 3grb s ILE 84 Cb 0.00 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 41.07 3grb s ILE 84 CO 0.00 0.45 0.45 -0.94 0.00 0.00 0.00 174.94 174.89 3grb s SER 85 N 0.30 6.72 1.02 3.58 1.04 -1.26 -4.32 113.70 120.78 3grb s SER 85 Ca -0.11 0.86 -0.15 0.00 0.48 0.00 0.00 55.95 57.03 3grb s SER 85 Cb -0.15 -2.27 0.20 0.00 0.10 0.00 0.00 66.02 63.90 3grb s SER 85 CO 0.05 0.12 1.15 -2.16 0.98 0.00 0.00 173.24 173.38 3grb s PRO 86 N 0.00 0.26 0.58 4.02 0.04 -1.26 -4.92 135.00 133.72 3grb s PRO 86 Ca 0.25 0.12 0.31 0.00 0.04 0.00 0.00 61.00 61.72 3grb s PRO 86 Cb -0.16 -1.75 1.79 0.00 0.04 0.00 0.00 34.50 34.42 3grb s PRO 86 CO 0.11 -2.76 2.21 0.00 0.04 0.00 0.00 177.00 176.60 3grb h MET 87 N -1.90 0.00 -1.95 4.56 -0.00 -1.47 -3.44 114.93 110.74 3grb h MET 87 Ca -0.49 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.22 3grb h MET 87 Cb 1.31 0.00 -0.19 0.00 -0.00 0.00 0.00 31.60 32.71 3grb h MET 87 CO 0.50 0.04 0.35 -1.58 -0.00 0.00 0.00 176.91 176.21 3grb s HIS 88 N -4.41 -0.52 -0.70 -0.10 5.65 -1.26 -5.05 115.29 108.90 3grb s HIS 88 Ca -0.04 0.80 0.17 0.00 0.25 0.00 0.00 55.06 56.24 3grb s HIS 88 Cb 0.14 0.45 0.74 0.00 -1.18 0.00 0.00 32.58 32.72 3grb s HIS 88 CO 0.54 -0.53 1.51 -0.85 -0.65 0.00 0.00 174.74 174.76 3grb n GLU 89 N 0.64 0.09 -4.30 2.88 0.00 -1.26 -4.66 120.64 114.02 3grb n GLU 89 Ca -0.15 0.41 -0.17 0.00 0.00 0.00 0.00 57.16 57.25 3grb n GLU 89 Cb 0.58 -1.70 -0.10 0.00 0.00 0.00 0.00 31.44 30.22 3grb n GLU 89 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 3grb s HIS 90 N -3.19 1.52 -0.22 -1.84 3.76 -1.26 -1.60 115.29 112.46 3grb s HIS 90 Ca 0.04 -0.62 -0.05 0.00 -0.15 0.00 0.00 55.06 54.27 3grb s HIS 90 Cb 0.07 -0.74 -0.02 0.00 1.11 0.00 0.00 32.58 33.00 3grb s HIS 90 CO 0.26 0.23 0.00 0.00 -0.85 0.00 0.00 174.74 174.39 3grb s ALA 91 N -2.87 3.00 -0.06 -1.40 0.00 0.08 -4.84 121.76 115.67 3grb s ALA 91 Ca 0.18 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 51.10 3grb s ALA 91 Cb -0.01 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 3grb s ALA 91 CO 0.04 -0.29 -0.15 -1.21 0.00 0.00 0.00 175.76 174.15 3grb s GLU 92 N 1.26 2.65 -0.10 0.00 8.01 -1.26 -0.35 118.70 128.91 3grb s GLU 92 Ca 0.04 -0.71 0.01 0.00 0.01 0.00 0.00 54.97 54.32 3grb s GLU 92 Cb -0.15 -2.40 0.02 0.00 -4.31 0.00 0.00 34.13 27.29 3grb s GLU 92 CO 0.01 0.53 -0.13 0.08 0.01 0.00 0.00 175.26 175.76 3grb s VAL 93 N -0.50 1.34 -0.16 2.63 1.01 0.08 -4.98 120.40 119.81 3grb s VAL 93 Ca 0.06 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 3grb s VAL 93 Cb -0.12 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 3grb s VAL 93 CO 0.02 0.41 0.00 -0.69 0.00 0.00 0.00 175.10 174.84 3grb s VAL 94 N 1.06 4.27 0.08 2.92 1.01 -1.26 -0.13 120.40 128.35 3grb s VAL 94 Ca -0.06 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.74 3grb s VAL 94 Cb -0.15 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 3grb s VAL 94 CO -0.02 0.48 -0.10 0.72 0.00 0.00 0.00 175.10 176.18 3grb s PHE 95 N 0.33 1.01 -0.24 5.22 -0.71 -0.18 -5.00 117.98 118.41 3grb s PHE 95 Ca -0.01 -0.59 -0.09 0.00 -1.04 0.00 0.00 56.93 55.20 3grb s PHE 95 Cb -0.13 -0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 41.07 3grb s PHE 95 CO 0.02 -0.01 0.13 0.99 -1.34 0.00 0.00 175.22 175.01 3grb s THR 96 N -2.02 5.03 0.23 -4.49 2.01 -1.26 -0.93 115.64 114.21 3grb s THR 96 Ca 0.01 0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.15 3grb s THR 96 Cb -0.06 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 3grb s THR 96 CO 0.00 0.35 0.07 0.00 -0.69 0.00 0.00 174.62 174.35 3grb s ALA 97 N 1.15 3.33 -1.48 7.40 0.00 0.52 -4.72 121.76 127.96 3grb s ALA 97 Ca 0.06 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.55 3grb s ALA 97 Cb -0.14 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.95 3grb s ALA 97 CO 0.05 0.33 0.00 0.09 0.00 0.00 0.00 175.76 176.23 3grb n ASN 98 N -0.74 -4.31 -0.83 0.00 3.02 -1.26 -2.50 115.26 108.64 3grb n ASN 98 Ca -0.08 0.26 0.03 0.00 -0.03 0.00 0.00 54.58 54.75 3grb n ASN 98 Cb 0.57 -3.79 0.13 0.00 -0.61 0.00 0.00 39.78 36.08 3grb n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3grb n ASP 99 N -1.29 2.24 -2.84 6.41 3.85 -1.26 -2.07 116.55 121.59 3grb n ASP 99 Ca -0.17 -2.23 -0.11 0.00 -0.71 0.00 0.00 54.79 51.57 3grb n ASP 99 Cb 0.57 -0.46 0.04 0.00 -1.35 0.00 0.00 41.12 39.91 3grb n ASP 99 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3grb n SER 100 N 0.20 -2.04 0.00 -1.12 7.64 -1.26 -5.15 113.62 111.90 3grb n SER 100 Ca 0.09 -3.30 0.00 0.00 1.01 0.00 0.00 58.87 56.67 3grb n SER 100 Cb 0.47 1.32 0.00 0.00 -1.01 0.00 0.00 64.21 64.99 3grb n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3grb n GLY 101 N 1.18 -2.37 3.75 0.23 0.00 -0.88 -4.93 105.19 102.17 3grb n GLY 101 Ca 0.11 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 3grb n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3grb s PRO 102 N -0.81 4.45 0.07 1.61 0.04 -1.26 -4.48 135.00 134.61 3grb s PRO 102 Ca 0.00 0.97 0.01 0.00 0.04 0.00 0.00 61.00 62.02 3grb s PRO 102 Cb 0.00 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 3grb s PRO 102 CO 0.00 0.32 -0.06 1.03 0.04 0.00 0.00 177.00 178.33 3grb s ARG 103 N -0.13 0.66 -0.07 4.56 0.52 -1.26 -4.91 118.95 118.32 3grb s ARG 103 Ca 0.36 -1.11 -0.14 0.00 -0.52 0.00 0.00 55.73 54.33 3grb s ARG 103 Cb -0.20 -0.10 -0.05 0.00 0.52 0.00 0.00 34.95 35.12 3grb s ARG 103 CO 0.21 -0.03 0.35 1.03 0.02 0.00 0.00 175.30 176.88 3grb s ARG 104 N -3.11 3.98 -0.09 3.54 0.52 -0.31 -4.89 118.95 118.59 3grb s ARG 104 Ca 0.03 0.25 0.03 0.00 -0.52 0.00 0.00 55.73 55.52 3grb s ARG 104 Cb 0.01 -3.30 -0.02 0.00 0.52 0.00 0.00 34.95 32.17 3grb s ARG 104 CO -0.04 0.52 -0.17 0.71 0.02 0.00 0.00 175.30 176.34 3grb s TYR 105 N -0.47 2.68 -0.14 -0.53 1.51 0.08 -0.88 117.35 119.60 3grb s TYR 105 Ca 0.21 -0.58 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 3grb s TYR 105 Cb -0.15 -1.72 0.01 0.00 -0.11 0.00 0.00 41.96 39.99 3grb s TYR 105 CO 0.09 -0.13 -0.21 0.99 -1.11 0.00 0.00 175.55 175.18 3grb s THR 106 N -0.04 2.17 -0.34 -0.71 2.01 -0.02 -0.60 115.64 118.11 3grb s THR 106 Ca -0.04 -0.94 -0.10 0.00 0.31 0.00 0.00 61.69 60.91 3grb s THR 106 Cb -0.14 -1.87 0.01 0.00 0.01 0.00 0.00 72.50 70.50 3grb s THR 106 CO 0.04 0.54 0.17 -0.63 -0.69 0.00 0.00 174.62 174.06 3grb s ILE 107 N 0.78 4.53 -0.19 1.82 -1.09 0.06 -0.25 121.20 126.87 3grb s ILE 107 Ca -0.07 -0.65 -0.07 0.00 -2.23 0.00 0.00 60.65 57.63 3grb s ILE 107 Cb -0.16 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 3grb s ILE 107 CO -0.01 -0.07 0.05 0.00 -1.23 0.00 0.00 174.94 173.68 3grb s ALA 108 N 1.58 3.28 -0.08 9.38 0.00 -0.16 -0.84 121.76 134.91 3grb s ALA 108 Ca 0.03 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.15 3grb s ALA 108 Cb -0.18 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 21.07 3grb s ALA 108 CO 0.06 0.03 -0.09 0.00 0.00 0.00 0.00 175.76 175.77 3grb s ALA 109 N 0.65 1.15 -0.30 0.00 0.00 0.50 -0.87 121.76 122.91 3grb s ALA 109 Ca 0.02 -0.38 -0.09 0.00 0.00 0.00 0.00 51.96 51.51 3grb s ALA 109 Cb -0.13 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 3grb s ALA 109 CO 0.02 -0.13 0.14 -1.64 0.00 0.00 0.00 175.76 174.15 3grb s MET 110 N 1.15 3.39 -0.12 0.00 -1.94 0.19 -0.29 119.30 121.69 3grb s MET 110 Ca -0.06 -0.67 -0.00 0.00 -1.71 0.00 0.00 55.69 53.24 3grb s MET 110 Cb -0.14 -3.52 -0.02 0.00 2.01 0.00 0.00 34.83 33.16 3grb s MET 110 CO -0.02 -0.37 -0.11 -0.51 -0.01 0.00 0.00 175.02 174.00 3grb s LEU 111 N 1.61 2.84 0.25 -0.03 1.43 0.12 -1.51 118.68 123.40 3grb s LEU 111 Ca 0.05 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 52.96 3grb s LEU 111 Cb -0.17 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 3grb s LEU 111 CO 0.06 0.20 -0.09 -0.44 0.23 0.00 0.00 176.35 176.30 3grb s SER 112 N 0.16 2.70 0.47 2.29 0.01 -0.98 -0.41 113.70 117.93 3grb s SER 112 Ca -0.06 -1.12 0.12 0.00 1.31 0.00 0.00 55.95 56.20 3grb s SER 112 Cb -0.15 -0.16 1.07 0.00 0.21 0.00 0.00 66.02 67.00 3grb s SER 112 CO 0.04 -0.27 2.10 -0.65 0.41 0.00 0.00 173.24 174.87 3grb h PRO 113 N 2.39 0.24 0.00 12.44 0.11 -1.98 -3.16 132.00 142.04 3grb h PRO 113 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3grb h PRO 113 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3grb h PRO 113 CO 0.65 0.17 0.00 0.66 -0.21 0.00 0.00 178.00 179.27 3grb n TYR 114 N -4.50 0.00 -4.24 0.65 4.02 -1.26 -1.06 117.16 110.77 3grb n TYR 114 Ca -0.00 -0.26 -0.14 0.00 -0.01 0.00 0.00 57.90 57.49 3grb n TYR 114 Cb 0.09 -0.03 -0.10 0.00 -0.02 0.00 0.00 39.34 39.28 3grb n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3grb s SER 115 N -0.52 1.61 0.03 7.72 0.15 -1.19 -4.98 113.70 116.52 3grb s SER 115 Ca 0.00 -1.04 -0.26 0.00 0.70 0.00 0.00 55.95 55.36 3grb s SER 115 Cb 0.00 0.02 0.06 0.00 -1.71 0.00 0.00 66.02 64.39 3grb s SER 115 CO 0.00 -0.39 0.59 -0.72 1.20 0.00 0.00 173.24 173.92 3grb s TYR 116 N -3.42 -0.53 -0.14 3.44 1.13 -1.26 -2.32 117.35 114.24 3grb s TYR 116 Ca 0.17 0.69 0.01 0.00 -1.41 0.00 0.00 57.07 56.53 3grb s TYR 116 Cb 0.04 0.40 0.02 0.00 -1.10 0.00 0.00 41.96 41.32 3grb s TYR 116 CO 0.00 -0.66 -0.15 -1.12 -2.51 0.00 0.00 175.55 171.11 3grb s SER 117 N -1.80 2.70 0.02 -0.18 0.01 -0.57 -5.01 113.70 108.87 3grb s SER 117 Ca -0.07 -0.49 0.06 0.00 1.31 0.00 0.00 55.95 56.76 3grb s SER 117 Cb -0.01 -1.20 -0.02 0.00 0.21 0.00 0.00 66.02 65.00 3grb s SER 117 CO 0.01 -0.03 -0.19 -0.89 0.41 0.00 0.00 173.24 172.55 3grb s THR 118 N 1.33 1.53 -0.02 1.44 2.01 -1.26 -0.64 115.64 120.02 3grb s THR 118 Ca 0.02 -1.03 0.03 0.00 0.31 0.00 0.00 61.69 61.02 3grb s THR 118 Cb -0.13 -1.31 0.00 0.00 0.01 0.00 0.00 72.50 71.06 3grb s THR 118 CO -0.09 0.26 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.11 3grb s THR 119 N -0.67 0.84 -0.25 -0.82 2.01 -0.05 -5.00 115.64 111.71 3grb s THR 119 Ca 0.07 -0.40 -0.08 0.00 0.31 0.00 0.00 61.69 61.58 3grb s THR 119 Cb -0.08 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 3grb s THR 119 CO 0.01 0.26 0.10 0.00 -0.69 0.00 0.00 174.62 174.30 3grb s ALA 120 N 0.10 3.29 -0.28 7.40 0.00 -1.26 -0.99 121.76 130.02 3grb s ALA 120 Ca -0.02 -1.07 -0.09 0.00 0.00 0.00 0.00 51.96 50.78 3grb s ALA 120 Cb -0.08 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.84 3grb s ALA 120 CO 0.00 -0.43 0.13 0.08 0.00 0.00 0.00 175.76 175.55 3grb s VAL 121 N 1.51 4.71 -0.18 0.00 1.01 0.66 -4.96 120.40 123.14 3grb s VAL 121 Ca 0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 61.90 3grb s VAL 121 Cb -0.15 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 32.96 3grb s VAL 121 CO 0.05 0.23 -0.15 -0.69 0.00 0.00 0.00 175.10 174.54 3grb s VAL 122 N 1.66 2.51 0.08 2.92 1.01 -1.26 -0.84 120.40 126.48 3grb s VAL 122 Ca 0.06 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.31 3grb s VAL 122 Cb -0.16 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 3grb s VAL 122 CO 0.07 0.51 -0.19 0.42 0.00 0.00 0.00 175.10 175.90 3grb s THR 123 N 1.18 1.54 0.00 3.92 -4.23 -0.06 -4.96 115.64 113.04 3grb s THR 123 Ca 0.02 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 3grb s THR 123 Cb -0.14 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.30 3grb s THR 123 CO -0.07 -0.04 0.00 0.59 -0.54 0.00 0.00 174.62 174.56