#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g5u n PRO 11 N 0.00 0.59 -3.67 0.00 -0.04 -1.26 -4.71 135.00 125.91 2g5u n PRO 11 Ca 0.00 -0.05 -0.19 0.00 -0.04 0.00 0.00 63.50 63.22 2g5u n PRO 11 Cb 0.00 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 31.79 2g5u n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2g5u s LEU 12 N -2.44 0.08 0.01 1.53 2.96 -1.26 -0.39 118.68 119.17 2g5u s LEU 12 Ca 0.33 0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.42 2g5u s LEU 12 Cb 0.21 -0.01 -0.01 0.00 0.50 0.00 0.00 46.19 46.87 2g5u s LEU 12 CO 0.44 -0.25 -0.08 -0.32 -1.32 0.00 0.00 176.35 174.83 2g5u s MET 13 N 2.20 0.57 -0.04 1.98 -2.45 -0.14 -4.44 119.30 116.98 2g5u s MET 13 Ca 0.04 -0.44 0.06 0.00 -1.25 0.00 0.00 55.69 54.10 2g5u s MET 13 Cb -0.12 -0.49 -0.01 0.00 1.25 0.00 0.00 34.83 35.46 2g5u s MET 13 CO -0.04 0.12 -0.22 0.08 1.05 0.00 0.00 175.02 176.02 2g5u s VAL 14 N -0.59 1.76 -0.04 10.11 1.01 -1.00 -0.63 120.40 131.02 2g5u s VAL 14 Ca -0.01 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.08 2g5u s VAL 14 Cb -0.05 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.84 2g5u s VAL 14 CO 0.00 0.50 -0.10 -0.75 0.00 0.00 0.00 175.10 174.74 2g5u s LYS 15 N -0.15 1.27 -0.05 2.72 2.20 -0.29 -0.45 119.74 124.98 2g5u s LYS 15 Ca -0.01 -0.34 0.02 0.00 -0.36 0.00 0.00 55.97 55.27 2g5u s LYS 15 Cb -0.12 -1.12 0.02 0.00 -1.51 0.00 0.00 37.83 35.09 2g5u s LYS 15 CO 0.02 0.07 -0.09 0.08 -0.36 0.00 0.00 175.35 175.08 2g5u s VAL 16 N 0.43 0.86 0.16 4.02 1.01 0.25 -0.53 120.40 126.59 2g5u s VAL 16 Ca -0.08 -0.32 0.11 0.00 0.00 0.00 0.00 61.98 61.69 2g5u s VAL 16 Cb -0.12 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 2g5u s VAL 16 CO 0.02 0.29 -0.25 -0.76 0.00 0.00 0.00 175.10 174.40 2g5u s LEU 17 N 0.73 2.37 -0.29 3.92 1.43 -0.15 -1.24 118.68 125.46 2g5u s LEU 17 Ca -0.13 -0.80 -0.07 0.00 -1.03 0.00 0.00 54.13 52.10 2g5u s LEU 17 Cb -0.15 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 44.93 2g5u s LEU 17 CO 0.02 0.13 0.08 -0.62 0.23 0.00 0.00 176.35 176.19 2g5u s ASP 18 N -2.34 5.11 0.08 2.29 -1.08 0.50 -0.88 116.67 120.35 2g5u s ASP 18 Ca 0.16 -0.63 0.27 0.00 -0.52 0.00 0.00 52.55 51.84 2g5u s ASP 18 Cb -0.09 -1.88 1.06 0.00 -1.46 0.00 0.00 42.92 40.54 2g5u s ASP 18 CO 0.07 -0.17 1.85 0.00 0.52 0.00 0.00 175.17 177.45 2g5u n ALA 19 N 4.88 2.26 0.06 3.66 0.00 0.19 -1.59 120.51 129.97 2g5u n ALA 19 Ca -0.15 -0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.00 2g5u n ALA 19 Cb 0.49 -1.46 -0.15 0.00 0.00 0.00 0.00 19.45 18.33 2g5u n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2g5u h VAL 20 N 0.00 0.92 0.00 0.00 2.07 -1.94 -3.38 116.25 113.91 2g5u h VAL 20 Ca 0.00 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.04 2g5u h VAL 20 Cb 0.56 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2g5u h VAL 20 CO 0.00 0.85 -1.15 0.54 0.02 0.00 0.00 177.57 177.83 2g5u n ARG 21 N -3.63 0.10 -3.43 1.57 1.74 -1.24 -5.01 116.66 106.77 2g5u n ARG 21 Ca -0.26 -0.03 -0.17 0.00 -0.77 0.00 0.00 57.85 56.62 2g5u n ARG 21 Cb 1.05 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 31.07 2g5u n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2g5u n GLY 22 N 1.46 -0.49 3.22 -0.13 0.00 -0.62 -5.02 105.19 103.61 2g5u n GLY 22 Ca 0.03 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 2g5u n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2g5u s SER 23 N -4.19 0.13 0.76 1.61 1.04 -1.12 -5.01 113.70 106.91 2g5u s SER 23 Ca 0.08 -0.72 -0.14 0.00 0.48 0.00 0.00 55.95 55.65 2g5u s SER 23 Cb -0.01 0.35 0.06 0.00 0.10 0.00 0.00 66.02 66.51 2g5u s SER 23 CO 0.74 -0.75 1.20 -2.84 0.98 0.00 0.00 173.24 172.57 2g5u s PRO 24 N -3.89 1.96 -0.47 4.02 0.02 -1.26 -0.37 135.00 135.02 2g5u s PRO 24 Ca 0.08 1.73 -0.17 0.00 0.02 0.00 0.00 61.00 62.65 2g5u s PRO 24 Cb 0.05 -1.81 0.05 0.00 0.02 0.00 0.00 34.50 32.80 2g5u s PRO 24 CO -0.09 -1.97 0.50 0.00 -0.33 0.00 0.00 177.00 175.11 2g5u s ALA 25 N -2.08 3.45 0.05 -1.55 0.00 -0.37 -4.56 121.76 116.70 2g5u s ALA 25 Ca 0.73 -1.77 -0.11 0.00 0.00 0.00 0.00 51.96 50.81 2g5u s ALA 25 Cb -0.28 -3.17 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 2g5u s ALA 25 CO 0.48 -1.79 0.40 0.42 0.00 0.00 0.00 175.76 175.27 2g5u s ILE 26 N 2.18 5.08 -1.43 0.00 1.01 -1.26 -4.29 121.20 122.50 2g5u s ILE 26 Ca 0.11 0.56 0.00 0.00 0.00 0.00 0.00 60.65 61.32 2g5u s ILE 26 Cb -0.20 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.61 2g5u s ILE 26 CO 0.11 0.38 0.00 -3.20 0.00 0.00 0.00 174.94 172.23 2g5u n ASN 27 N 1.19 -4.91 -4.71 3.58 4.05 -0.21 -4.94 115.26 109.31 2g5u n ASN 27 Ca -0.10 -0.00 -0.41 0.00 0.45 0.00 0.00 54.58 54.52 2g5u n ASN 27 Cb 0.52 -4.01 -0.04 0.00 1.23 0.00 0.00 39.78 37.48 2g5u n ASN 27 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2g5u s VAL 28 N -2.82 4.96 0.21 3.44 1.01 -1.26 -4.74 120.40 121.20 2g5u s VAL 28 Ca 0.00 1.70 -0.30 0.00 0.00 0.00 0.00 61.98 63.38 2g5u s VAL 28 Cb 0.00 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.14 2g5u s VAL 28 CO 0.00 0.20 1.04 0.00 0.00 0.00 0.00 175.10 176.33 2g5u s ALA 29 N 0.99 3.36 -0.06 5.51 0.00 -1.26 -1.20 121.76 129.11 2g5u s ALA 29 Ca 0.43 0.75 0.01 0.00 0.00 0.00 0.00 51.96 53.16 2g5u s ALA 29 Cb -0.19 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.65 2g5u s ALA 29 CO 0.21 -0.06 -0.08 0.08 0.00 0.00 0.00 175.76 175.92 2g5u s VAL 30 N -0.72 0.79 -0.07 0.00 1.01 0.14 -0.75 120.40 120.80 2g5u s VAL 30 Ca 0.45 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.22 2g5u s VAL 30 Cb -0.28 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 2g5u s VAL 30 CO 0.35 0.28 -0.25 -1.00 0.00 0.00 0.00 175.10 174.49 2g5u s HIS 31 N 0.88 2.48 -0.05 5.22 3.76 -0.09 -1.10 115.29 126.39 2g5u s HIS 31 Ca -0.11 -0.83 0.04 0.00 -0.15 0.00 0.00 55.06 54.01 2g5u s HIS 31 Cb -0.15 -1.64 -0.02 0.00 1.11 0.00 0.00 32.58 31.88 2g5u s HIS 31 CO 0.01 -0.28 -0.17 0.08 -0.85 0.00 0.00 174.74 173.53 2g5u s VAL 32 N 0.00 2.83 0.13 -0.90 1.01 0.18 0.11 120.40 123.75 2g5u s VAL 32 Ca -0.09 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.14 2g5u s VAL 32 Cb -0.15 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 2g5u s VAL 32 CO 0.05 0.59 -0.12 -0.36 0.00 0.00 0.00 175.10 175.26 2g5u s PHE 33 N -0.63 1.30 -0.03 5.22 0.40 0.25 -0.08 117.98 124.41 2g5u s PHE 33 Ca 0.09 -0.62 0.05 0.00 -0.60 0.00 0.00 56.93 55.85 2g5u s PHE 33 Cb -0.11 -0.68 -0.01 0.00 0.51 0.00 0.00 43.02 42.73 2g5u s PHE 33 CO 0.01 0.11 -0.18 0.50 0.70 0.00 0.00 175.22 176.35 2g5u s ARG 34 N -2.99 1.65 -0.06 0.44 3.52 0.24 -0.95 118.95 120.81 2g5u s ARG 34 Ca 0.10 -0.64 -0.30 0.00 -0.13 0.00 0.00 55.73 54.77 2g5u s ARG 34 Cb -0.03 -1.51 -0.04 0.00 -1.56 0.00 0.00 34.95 31.82 2g5u s ARG 34 CO 0.02 0.32 1.36 0.21 -0.81 0.00 0.00 175.30 176.40 2g5u s LYS 35 N -0.20 4.27 0.72 5.12 2.20 0.19 -0.75 119.74 131.29 2g5u s LYS 35 Ca 0.02 1.86 -0.05 0.00 -0.36 0.00 0.00 55.97 57.43 2g5u s LYS 35 Cb -0.09 -3.68 0.09 0.00 -1.51 0.00 0.00 37.83 32.64 2g5u s LYS 35 CO 0.01 -0.62 1.01 0.00 -0.36 0.00 0.00 175.35 175.39 2g5u s ALA 36 N 2.88 3.28 0.59 3.13 0.00 0.76 -4.70 121.76 127.69 2g5u s ALA 36 Ca 0.61 -1.22 0.29 0.00 0.00 0.00 0.00 51.96 51.64 2g5u s ALA 36 Cb -0.28 -2.40 1.73 0.00 0.00 0.00 0.00 23.12 22.17 2g5u s ALA 36 CO 0.23 -1.41 2.19 0.00 0.00 0.00 0.00 175.76 176.77 2g5u h ALA 37 N -0.62 1.67 -0.65 0.00 0.00 -1.95 -0.52 119.26 117.20 2g5u h ALA 37 Ca -0.42 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 2g5u h ALA 37 Cb 1.29 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 2g5u h ALA 37 CO 0.51 -0.13 0.16 -0.40 0.00 0.00 0.00 179.25 179.39 2g5u n ASP 38 N -3.86 5.06 -1.59 0.00 5.68 -1.26 -4.93 116.55 115.64 2g5u n ASP 38 Ca -0.01 -3.04 -0.20 0.00 -0.50 0.00 0.00 54.79 51.03 2g5u n ASP 38 Cb 0.19 -0.71 -0.09 0.00 -1.14 0.00 0.00 41.12 39.37 2g5u n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2g5u n ASP 39 N 0.18 -5.48 -4.88 -1.12 9.92 -0.20 -5.01 116.55 109.96 2g5u n ASP 39 Ca 0.34 0.49 -0.33 0.00 -0.53 0.00 0.00 54.79 54.77 2g5u n ASP 39 Cb 1.27 -4.78 -0.05 0.00 -0.64 0.00 0.00 41.12 36.92 2g5u n ASP 39 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2g5u s THR 40 N -2.77 5.06 -0.45 -3.53 2.01 -1.26 -4.84 115.64 109.87 2g5u s THR 40 Ca 0.00 0.32 -0.26 0.00 0.31 0.00 0.00 61.69 62.06 2g5u s THR 40 Cb 0.00 -3.63 0.03 0.00 0.01 0.00 0.00 72.50 68.90 2g5u s THR 40 CO 0.00 0.09 0.95 0.26 -0.69 0.00 0.00 174.62 175.23 2g5u s TRP 41 N -1.62 2.92 -0.02 4.92 0.52 -1.26 -0.17 118.94 124.23 2g5u s TRP 41 Ca 0.40 0.47 -0.05 0.00 0.02 0.00 0.00 56.10 56.94 2g5u s TRP 41 Cb -0.13 -4.00 -0.04 0.00 -1.15 0.00 0.00 33.47 28.15 2g5u s TRP 41 CO 0.21 -1.10 0.22 -1.83 0.02 0.00 0.00 176.95 174.48 2g5u s GLU 42 N 3.82 3.52 0.27 4.98 -1.05 0.07 -4.85 118.70 125.46 2g5u s GLU 42 Ca 0.39 -0.16 -0.30 0.00 -0.15 0.00 0.00 54.97 54.75 2g5u s GLU 42 Cb -0.10 -3.10 -0.13 0.00 -0.44 0.00 0.00 34.13 30.36 2g5u s GLU 42 CO 0.26 0.68 1.46 -2.30 0.95 0.00 0.00 175.26 176.31 2g5u n PRO 43 N 1.21 2.28 -0.01 -4.83 -0.02 -1.26 -0.59 135.00 131.77 2g5u n PRO 43 Ca -0.12 0.81 -0.02 0.00 -2.02 0.00 0.00 63.50 62.14 2g5u n PRO 43 Cb 0.53 -2.50 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 2g5u n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2g5u n PHE 44 N 1.76 0.00 -3.56 6.00 7.35 0.89 -4.75 117.46 125.15 2g5u n PHE 44 Ca 0.09 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.71 2g5u n PHE 44 Cb 0.34 -0.10 -0.02 0.00 0.35 0.00 0.00 39.48 40.05 2g5u n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2g5u s ALA 45 N -2.05 -1.76 0.14 3.13 0.00 -0.97 -5.00 121.76 115.25 2g5u s ALA 45 Ca -0.04 0.75 -0.21 0.00 0.00 0.00 0.00 51.96 52.46 2g5u s ALA 45 Cb 0.01 0.51 0.06 0.00 0.00 0.00 0.00 23.12 23.70 2g5u s ALA 45 CO 0.05 -0.78 0.53 -1.54 0.00 0.00 0.00 175.76 174.02 2g5u s SER 46 N -2.62 -0.45 0.01 0.00 1.04 -1.26 0.48 113.70 110.90 2g5u s SER 46 Ca 0.07 -0.09 -0.09 0.00 0.48 0.00 0.00 55.95 56.31 2g5u s SER 46 Cb -0.01 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.69 2g5u s SER 46 CO -0.06 -0.91 0.43 0.61 0.98 0.00 0.00 173.24 174.28 2g5u n GLY 47 N -0.27 0.62 3.13 7.32 0.00 -0.25 -4.99 105.19 110.75 2g5u n GLY 47 Ca -0.17 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 44.71 2g5u n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g5u s LYS 48 N -2.01 1.02 0.52 1.61 1.02 -1.26 -0.69 119.74 119.96 2g5u s LYS 48 Ca 0.10 -0.67 -0.22 0.00 0.02 0.00 0.00 55.97 55.20 2g5u s LYS 48 Cb -0.00 -1.02 -0.05 0.00 -0.52 0.00 0.00 37.83 36.23 2g5u s LYS 48 CO 0.00 0.26 1.26 0.95 -0.92 0.00 0.00 175.35 176.91 2g5u s THR 49 N -0.66 2.53 0.35 2.17 -4.23 -0.34 -4.76 115.64 110.71 2g5u s THR 49 Ca 0.03 0.39 -0.04 0.00 -1.18 0.00 0.00 61.69 60.89 2g5u s THR 49 Cb -0.07 -3.19 0.08 0.00 1.34 0.00 0.00 72.50 70.66 2g5u s THR 49 CO 0.01 -0.02 0.48 -1.54 -0.54 0.00 0.00 174.62 173.01 2g5u n SER 50 N -0.94 0.29 0.31 3.99 3.41 -0.18 -1.04 113.62 119.46 2g5u n SER 50 Ca 0.10 -1.33 0.20 0.00 -0.26 0.00 0.00 58.87 57.59 2g5u n SER 50 Cb 0.47 -0.34 0.98 0.00 -0.26 0.00 0.00 64.21 65.05 2g5u n SER 50 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2g5u h GLU 51 N 0.00 0.00 -0.10 4.33 4.11 -1.94 0.42 114.58 121.40 2g5u h GLU 51 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.27 2g5u h GLU 51 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2g5u h GLU 51 CO 0.13 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.08 2g5u n SER 52 N -3.09 1.38 -0.24 3.06 3.41 -1.26 -4.77 113.62 112.11 2g5u n SER 52 Ca -0.01 -1.59 -0.03 0.00 -0.26 0.00 0.00 58.87 56.97 2g5u n SER 52 Cb 0.18 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.05 2g5u n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2g5u n GLY 53 N 1.10 0.61 3.71 5.00 0.00 0.14 -4.79 105.19 110.96 2g5u n GLY 53 Ca 0.17 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 2g5u n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2g5u s GLU 54 N -1.56 2.68 -0.22 1.61 2.02 -1.26 -0.58 118.70 121.39 2g5u s GLU 54 Ca 0.00 -0.76 -0.00 0.00 0.02 0.00 0.00 54.97 54.23 2g5u s GLU 54 Cb 0.00 -2.62 0.06 0.00 0.10 0.00 0.00 34.13 31.67 2g5u s GLU 54 CO 0.00 0.56 -0.03 -1.17 0.02 0.00 0.00 175.26 174.64 2g5u s LEU 55 N -2.23 2.16 0.31 1.80 2.96 0.40 -1.01 118.68 123.07 2g5u s LEU 55 Ca 0.26 -1.04 0.08 0.00 -0.22 0.00 0.00 54.13 53.21 2g5u s LEU 55 Cb -0.12 -1.02 -0.04 0.00 0.50 0.00 0.00 46.19 45.51 2g5u s LEU 55 CO 0.18 -0.24 0.16 -1.00 -1.32 0.00 0.00 176.35 174.13 2g5u s HIS 56 N 1.52 2.82 -0.37 5.38 3.76 -1.26 -2.39 115.29 124.76 2g5u s HIS 56 Ca -0.04 -0.28 0.00 0.00 -0.15 0.00 0.00 55.06 54.59 2g5u s HIS 56 Cb -0.18 -1.55 0.00 0.00 1.11 0.00 0.00 32.58 31.96 2g5u s HIS 56 CO -0.07 0.39 0.00 0.41 -0.85 0.00 0.00 174.74 174.62 2g5u n GLY 57 N -1.16 0.54 0.26 -2.22 0.00 -1.26 -4.92 105.19 96.43 2g5u n GLY 57 Ca -0.04 -0.86 -0.01 0.00 0.00 0.00 0.00 46.02 45.11 2g5u n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2g5u h LEU 58 N 0.00 0.46 -8.17 0.99 3.38 -1.86 -3.47 115.31 106.64 2g5u h LEU 58 Ca -0.08 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 2g5u h LEU 58 Cb 0.46 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2g5u h LEU 58 CO 0.11 0.60 0.12 0.28 0.09 0.00 0.00 178.44 179.64 2g5u s THR 59 N -4.79 0.00 0.32 0.22 -1.32 -1.26 -4.82 115.64 103.99 2g5u s THR 59 Ca -0.07 -1.20 0.10 0.00 -1.21 0.00 0.00 61.69 59.31 2g5u s THR 59 Cb 0.15 -2.74 -0.06 0.00 -1.51 0.00 0.00 72.50 68.34 2g5u s THR 59 CO 0.77 0.00 -0.11 0.42 -2.21 0.00 0.00 174.62 173.49 2g5u s THR 60 N -2.67 2.43 0.26 5.08 -4.23 -1.26 -4.53 115.64 110.72 2g5u s THR 60 Ca 0.20 -2.23 -0.01 0.00 -1.18 0.00 0.00 61.69 58.47 2g5u s THR 60 Cb -0.04 -2.56 0.25 0.00 1.34 0.00 0.00 72.50 71.50 2g5u s THR 60 CO 0.14 -0.28 1.82 -0.33 -0.54 0.00 0.00 174.62 175.43 2g5u h GLU 61 N 2.07 0.86 -0.69 3.99 5.08 -1.98 -1.39 114.58 122.52 2g5u h GLU 61 Ca -0.42 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 2g5u h GLU 61 Cb 1.25 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 2g5u h GLU 61 CO 0.66 0.57 0.39 0.93 -1.00 0.00 0.00 179.01 180.56 2g5u h GLU 62 N 0.88 0.95 0.00 2.33 5.08 -2.04 -3.07 114.58 118.71 2g5u h GLU 62 Ca 0.45 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.57 2g5u h GLU 62 Cb 0.44 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2g5u h GLU 62 CO -0.26 0.70 -0.71 1.49 -1.00 0.00 0.00 179.01 179.22 2g5u h GLU 63 N 0.94 0.00 -4.07 2.33 4.81 -1.89 -3.39 114.58 113.31 2g5u h GLU 63 Ca 0.24 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.75 2g5u h GLU 63 Cb 0.01 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.28 2g5u h GLU 63 CO -0.04 0.64 2.41 0.34 -0.73 0.00 0.00 179.01 181.63 2g5u n PHE 64 N -3.24 3.56 -2.15 0.92 7.35 -0.55 -4.96 117.46 118.38 2g5u n PHE 64 Ca 0.01 -2.93 -0.28 0.00 -0.76 0.00 0.00 57.45 53.49 2g5u n PHE 64 Cb 0.81 -2.28 0.15 0.00 0.35 0.00 0.00 39.48 38.50 2g5u n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2g5u s VAL 65 N 1.99 2.06 0.58 -2.13 -7.23 -1.26 -4.95 120.40 109.47 2g5u s VAL 65 Ca 0.44 -0.20 -0.20 0.00 -1.81 0.00 0.00 61.98 60.21 2g5u s VAL 65 Cb 0.09 -2.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 2g5u s VAL 65 CO -0.02 0.00 1.30 -1.83 -0.31 0.00 0.00 175.10 174.23 2g5u s GLU 66 N -5.60 2.94 0.00 4.82 -1.05 -1.26 -4.81 118.70 113.74 2g5u s GLU 66 Ca 0.70 2.07 0.00 0.00 -0.15 0.00 0.00 54.97 57.59 2g5u s GLU 66 Cb -0.05 -2.06 0.00 0.00 -0.44 0.00 0.00 34.13 31.58 2g5u s GLU 66 CO 0.50 -1.30 0.00 0.41 0.95 0.00 0.00 175.26 175.82 2g5u n GLY 67 N 0.73 -0.63 3.64 -3.83 0.00 -1.00 -5.00 105.19 99.10 2g5u n GLY 67 Ca 0.13 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 2g5u n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g5u s ILE 68 N -2.00 5.13 0.15 -0.61 1.01 -1.26 -0.79 121.20 122.83 2g5u s ILE 68 Ca 0.00 0.10 0.10 0.00 0.00 0.00 0.00 60.65 60.85 2g5u s ILE 68 Cb 0.00 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 2g5u s ILE 68 CO 0.00 0.38 -0.20 -0.31 0.00 0.00 0.00 174.94 174.81 2g5u s TYR 69 N 0.88 2.44 -0.10 3.97 1.51 -0.17 -0.63 117.35 125.24 2g5u s TYR 69 Ca 0.06 -0.31 0.02 0.00 -1.01 0.00 0.00 57.07 55.84 2g5u s TYR 69 Cb -0.13 -1.26 0.01 0.00 -0.11 0.00 0.00 41.96 40.47 2g5u s TYR 69 CO 0.03 0.42 -0.15 0.21 -1.11 0.00 0.00 175.55 174.95 2g5u s LYS 70 N -2.36 2.19 -0.28 -0.62 2.20 -0.12 -1.40 119.74 119.34 2g5u s LYS 70 Ca 0.19 -0.56 -0.06 0.00 -0.36 0.00 0.00 55.97 55.18 2g5u s LYS 70 Cb -0.09 -1.84 0.00 0.00 -1.51 0.00 0.00 37.83 34.39 2g5u s LYS 70 CO 0.10 -0.03 0.06 0.08 -0.36 0.00 0.00 175.35 175.20 2g5u s VAL 71 N 0.90 3.93 -0.20 4.02 1.01 0.05 -0.59 120.40 129.53 2g5u s VAL 71 Ca -0.09 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 2g5u s VAL 71 Cb -0.15 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 2g5u s VAL 71 CO -0.00 0.15 0.01 -0.70 0.00 0.00 0.00 175.10 174.55 2g5u s GLU 72 N 1.51 3.63 -0.21 2.72 2.12 0.12 -0.75 118.70 127.84 2g5u s GLU 72 Ca 0.03 -0.51 -0.05 0.00 0.36 0.00 0.00 54.97 54.80 2g5u s GLU 72 Cb -0.17 -3.10 -0.02 0.00 0.26 0.00 0.00 34.13 31.11 2g5u s GLU 72 CO 0.02 0.01 -0.01 0.42 -0.54 0.00 0.00 175.26 175.16 2g5u s ILE 73 N 1.01 3.77 -1.33 -3.70 1.01 0.34 -0.92 121.20 121.38 2g5u s ILE 73 Ca 0.02 -0.37 -0.13 0.00 0.00 0.00 0.00 60.65 60.16 2g5u s ILE 73 Cb -0.14 -2.71 0.11 0.00 0.01 0.00 0.00 42.46 39.73 2g5u s ILE 73 CO 0.02 0.42 1.88 0.47 0.00 0.00 0.00 174.94 177.74 2g5u n ASP 74 N 4.43 4.70 0.11 3.58 8.00 0.08 -1.40 116.55 136.04 2g5u n ASP 74 Ca -0.17 -2.96 -0.02 0.00 0.71 0.00 0.00 54.79 52.34 2g5u n ASP 74 Cb 0.51 -1.61 0.21 0.00 -0.02 0.00 0.00 41.12 40.22 2g5u n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2g5u h THR 75 N 4.35 1.35 -0.37 -3.53 1.35 -1.87 -3.15 112.91 111.04 2g5u h THR 75 Ca 0.45 -1.70 -0.01 0.00 -0.55 0.00 0.00 66.41 64.59 2g5u h THR 75 Cb 0.72 1.84 -0.02 0.00 -1.73 0.00 0.00 68.15 68.97 2g5u h THR 75 CO 1.61 0.50 0.18 0.50 -0.25 0.00 0.00 175.52 178.06 2g5u h LYS 76 N 0.13 0.53 -0.65 4.72 3.64 -1.72 -2.02 116.57 121.20 2g5u h LYS 76 Ca 0.00 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 2g5u h LYS 76 Cb 0.91 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 2g5u h LYS 76 CO 0.07 0.47 0.24 0.77 -2.27 0.00 0.00 179.45 178.74 2g5u h SER 77 N 0.46 0.92 -0.05 4.20 0.02 -1.84 -1.12 113.55 116.14 2g5u h SER 77 Ca 0.13 -0.19 0.04 0.00 -0.84 0.00 0.00 61.79 60.93 2g5u h SER 77 Cb 0.12 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.37 2g5u h SER 77 CO -0.02 0.86 -0.27 0.22 -1.14 0.00 0.00 176.83 176.48 2g5u h TYR 78 N 0.93 -0.73 -0.26 3.45 3.20 -1.43 -2.31 116.97 119.81 2g5u h TYR 78 Ca 0.21 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.99 2g5u h TYR 78 Cb 0.24 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 2g5u h TYR 78 CO 0.02 -0.36 -0.34 -1.49 -1.64 0.00 0.00 178.16 174.35 2g5u h TRP 79 N -0.39 0.65 -0.69 -3.82 4.06 -1.14 -3.07 115.95 111.56 2g5u h TRP 79 Ca 0.08 -0.17 -0.03 0.00 2.06 0.00 0.00 58.89 60.82 2g5u h TRP 79 Cb 0.49 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 28.48 2g5u h TRP 79 CO -0.33 0.83 0.30 0.87 -3.56 0.00 0.00 178.44 176.56 2g5u h LYS 80 N 0.48 1.01 0.00 0.49 1.57 -1.07 -1.06 116.57 117.99 2g5u h LYS 80 Ca 0.05 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2g5u h LYS 80 Cb 0.82 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2g5u h LYS 80 CO 0.07 0.82 0.00 0.00 -0.57 0.00 0.00 179.45 179.76 2g5u n ALA 81 N -2.38 1.41 0.99 3.86 0.00 -0.88 -0.58 120.51 122.93 2g5u n ALA 81 Ca 0.05 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.75 2g5u n ALA 81 Cb 0.15 -1.37 0.22 0.00 0.00 0.00 0.00 19.45 18.45 2g5u n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2g5u n LEU 82 N -2.28 2.71 0.00 0.00 4.77 -0.52 -4.96 117.00 116.71 2g5u n LEU 82 Ca 0.01 -0.97 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 2g5u n LEU 82 Cb 0.15 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2g5u n LEU 82 CO 0.16 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 2g5u n GLY 83 N 1.33 0.45 3.47 -0.72 0.00 0.26 -5.04 105.19 104.94 2g5u n GLY 83 Ca 0.16 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 2g5u n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g5u s ILE 84 N -2.00 3.52 -0.51 -0.61 1.01 -0.52 -5.01 121.20 117.07 2g5u s ILE 84 Ca 0.00 -0.51 -0.19 0.00 0.00 0.00 0.00 60.65 59.95 2g5u s ILE 84 Cb 0.00 -2.49 0.06 0.00 0.01 0.00 0.00 42.46 40.04 2g5u s ILE 84 CO 0.00 0.53 0.61 -0.55 0.00 0.00 0.00 174.94 175.53 2g5u s SER 85 N 0.06 6.21 0.62 3.58 0.15 -1.26 -2.95 113.70 120.12 2g5u s SER 85 Ca -0.02 -0.98 -0.01 0.00 0.70 0.00 0.00 55.95 55.64 2g5u s SER 85 Cb -0.14 -2.28 0.06 0.00 -1.71 0.00 0.00 66.02 61.95 2g5u s SER 85 CO 0.03 -0.88 0.88 -2.16 1.20 0.00 0.00 173.24 172.32 2g5u s PRO 86 N 2.53 2.25 -0.13 5.44 0.04 -1.26 -5.00 135.00 138.87 2g5u s PRO 86 Ca 0.14 -0.75 -0.26 0.00 0.04 0.00 0.00 61.00 60.16 2g5u s PRO 86 Cb -0.20 -2.38 -0.24 0.00 0.04 0.00 0.00 34.50 31.72 2g5u s PRO 86 CO 0.11 -1.01 0.72 0.35 0.04 0.00 0.00 177.00 177.22 2g5u h PHE 87 N -0.22 -0.00 -3.82 0.56 3.57 -1.61 -3.47 116.94 111.94 2g5u h PHE 87 Ca -0.41 -0.00 -0.48 0.00 3.53 0.00 0.00 57.97 60.61 2g5u h PHE 87 Cb 1.29 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 2g5u h PHE 87 CO 0.22 0.89 0.17 -1.01 -2.23 0.00 0.00 178.31 176.34 2g5u s HIS 88 N -2.25 3.36 0.08 0.41 3.76 -1.26 -4.99 115.29 114.40 2g5u s HIS 88 Ca -0.17 1.32 -0.15 0.00 -0.15 0.00 0.00 55.06 55.91 2g5u s HIS 88 Cb -0.03 -2.62 -0.15 0.00 1.11 0.00 0.00 32.58 30.89 2g5u s HIS 88 CO 0.63 0.02 1.29 0.93 -0.85 0.00 0.00 174.74 176.76 2g5u h GLU 89 N 2.08 0.69 -2.60 1.40 4.39 -1.98 -3.37 114.58 115.19 2g5u h GLU 89 Ca -0.48 -0.53 0.13 0.00 0.34 0.00 0.00 59.36 58.82 2g5u h GLU 89 Cb 1.18 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.87 2g5u h GLU 89 CO 0.64 1.15 0.41 -3.38 -1.16 0.00 0.00 179.01 176.67 2g5u s HIS 90 N -3.81 -0.10 -0.11 4.33 -3.43 -1.26 -3.26 115.29 107.65 2g5u s HIS 90 Ca -0.11 -0.29 -0.03 0.00 -0.80 0.00 0.00 55.06 53.83 2g5u s HIS 90 Cb 0.08 0.68 -0.03 0.00 -1.43 0.00 0.00 32.58 31.88 2g5u s HIS 90 CO 0.87 -1.02 -0.01 0.00 -2.00 0.00 0.00 174.74 172.58 2g5u s ALA 91 N -3.25 3.17 -0.05 -1.38 0.00 -0.49 -4.90 121.76 114.86 2g5u s ALA 91 Ca 0.13 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.33 2g5u s ALA 91 Cb -0.03 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.57 2g5u s ALA 91 CO 0.05 0.44 -0.21 -1.21 0.00 0.00 0.00 175.76 174.82 2g5u s GLU 92 N -0.39 2.11 -0.13 0.00 2.02 -1.26 -0.51 118.70 120.55 2g5u s GLU 92 Ca 0.07 -0.76 -0.00 0.00 0.02 0.00 0.00 54.97 54.29 2g5u s GLU 92 Cb -0.12 -1.84 0.02 0.00 0.10 0.00 0.00 34.13 32.29 2g5u s GLU 92 CO 0.02 0.34 -0.11 0.08 0.02 0.00 0.00 175.26 175.61 2g5u s VAL 93 N -0.14 1.31 -0.09 2.63 1.01 0.07 -4.97 120.40 120.22 2g5u s VAL 93 Ca -0.02 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.52 2g5u s VAL 93 Cb -0.12 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 34.99 2g5u s VAL 93 CO 0.02 0.41 -0.21 -0.69 0.00 0.00 0.00 175.10 174.63 2g5u s VAL 94 N 1.59 1.83 0.02 2.92 1.01 -1.26 -0.77 120.40 125.75 2g5u s VAL 94 Ca 0.05 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 2g5u s VAL 94 Cb -0.13 -1.60 0.04 0.00 0.00 0.00 0.00 36.38 34.69 2g5u s VAL 94 CO -0.09 0.51 0.43 0.72 0.00 0.00 0.00 175.10 176.67 2g5u s PHE 95 N 0.45 -0.31 0.08 5.22 -0.71 -0.49 -4.99 117.98 117.22 2g5u s PHE 95 Ca -0.17 0.38 -0.28 0.00 -1.04 0.00 0.00 56.93 55.82 2g5u s PHE 95 Cb -0.17 0.23 -0.06 0.00 -1.21 0.00 0.00 43.02 41.81 2g5u s PHE 95 CO 0.07 -0.54 0.88 0.99 -1.34 0.00 0.00 175.22 175.28 2g5u s THR 96 N -2.03 4.61 0.03 -4.49 2.01 -1.26 -1.00 115.64 113.50 2g5u s THR 96 Ca -0.08 1.88 0.09 0.00 0.31 0.00 0.00 61.69 63.89 2g5u s THR 96 Cb -0.02 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 2g5u s THR 96 CO 0.01 0.33 -0.25 0.00 -0.69 0.00 0.00 174.62 174.02 2g5u s ALA 97 N 0.00 2.27 -1.75 7.40 0.00 0.03 -4.80 121.76 124.91 2g5u s ALA 97 Ca 0.43 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2g5u s ALA 97 Cb -0.22 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.38 2g5u s ALA 97 CO 0.27 0.54 0.00 0.09 0.00 0.00 0.00 175.76 176.66 2g5u n ASN 98 N 1.91 -5.33 0.22 0.00 3.02 -1.26 -2.39 115.26 111.44 2g5u n ASN 98 Ca -0.17 0.18 0.14 0.00 -0.03 0.00 0.00 54.58 54.71 2g5u n ASN 98 Cb 0.52 -4.42 0.47 0.00 -0.61 0.00 0.00 39.78 35.74 2g5u n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2g5u h ASP 99 N 0.00 0.00 -0.46 6.41 2.03 -1.92 -2.56 116.42 119.91 2g5u h ASP 99 Ca -0.42 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 55.54 2g5u h ASP 99 Cb 1.28 0.00 -0.30 0.00 -0.83 0.00 0.00 39.33 39.48 2g5u h ASP 99 CO 0.54 0.00 -0.76 -1.54 -1.03 0.00 0.00 179.24 176.45 2g5u n SER 100 N -2.88 3.50 0.00 4.15 3.41 -1.26 -5.10 113.62 115.44 2g5u n SER 100 Ca 0.02 -3.58 0.00 0.00 -0.26 0.00 0.00 58.87 55.06 2g5u n SER 100 Cb 0.38 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2g5u n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2g5u n GLY 101 N -0.77 2.51 3.76 5.00 0.00 -0.97 -5.04 105.19 109.68 2g5u n GLY 101 Ca 0.32 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 2g5u n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2g5u s PRO 102 N -2.52 4.28 0.19 1.61 0.02 -1.26 -4.34 135.00 132.98 2g5u s PRO 102 Ca 0.00 2.30 0.03 0.00 0.02 0.00 0.00 61.00 63.35 2g5u s PRO 102 Cb 0.00 -3.08 -0.05 0.00 0.02 0.00 0.00 34.50 31.40 2g5u s PRO 102 CO 0.00 -0.34 -0.02 1.03 -0.33 0.00 0.00 177.00 177.33 2g5u s ARG 103 N -1.15 1.18 -0.13 5.54 1.81 -1.26 -4.91 118.95 120.02 2g5u s ARG 103 Ca 0.54 -1.57 -0.05 0.00 -1.72 0.00 0.00 55.73 52.94 2g5u s ARG 103 Cb -0.42 -0.48 -0.04 0.00 -0.45 0.00 0.00 34.95 33.57 2g5u s ARG 103 CO 0.50 -0.07 0.03 1.03 -0.68 0.00 0.00 175.30 176.11 2g5u s ARG 104 N -3.86 3.46 -0.12 3.54 0.52 0.10 -4.87 118.95 117.73 2g5u s ARG 104 Ca 0.24 -0.37 0.02 0.00 -0.52 0.00 0.00 55.73 55.10 2g5u s ARG 104 Cb 0.05 -3.00 0.01 0.00 0.52 0.00 0.00 34.95 32.54 2g5u s ARG 104 CO 0.05 0.51 -0.18 0.71 0.02 0.00 0.00 175.30 176.41 2g5u s TYR 105 N -0.32 2.26 -0.20 -0.53 1.51 0.48 -1.53 117.35 119.01 2g5u s TYR 105 Ca 0.08 -1.08 -0.04 0.00 -1.01 0.00 0.00 57.07 55.02 2g5u s TYR 105 Cb -0.12 -1.58 -0.02 0.00 -0.11 0.00 0.00 41.96 40.13 2g5u s TYR 105 CO 0.02 -0.52 -0.03 0.99 -1.11 0.00 0.00 175.55 174.90 2g5u s THR 106 N 0.87 3.58 -0.26 -0.71 2.01 -0.11 -0.96 115.64 120.05 2g5u s THR 106 Ca -0.08 -0.44 -0.07 0.00 0.31 0.00 0.00 61.69 61.41 2g5u s THR 106 Cb -0.15 -2.61 -0.01 0.00 0.01 0.00 0.00 72.50 69.73 2g5u s THR 106 CO -0.01 0.44 0.07 -0.63 -0.69 0.00 0.00 174.62 173.79 2g5u s ILE 107 N 1.15 4.13 -0.06 1.82 -1.09 0.20 -1.08 121.20 126.27 2g5u s ILE 107 Ca 0.02 -0.36 0.01 0.00 -2.23 0.00 0.00 60.65 58.08 2g5u s ILE 107 Cb -0.15 -2.99 -0.03 0.00 -1.58 0.00 0.00 42.46 37.71 2g5u s ILE 107 CO -0.00 0.26 -0.05 0.00 -1.23 0.00 0.00 174.94 173.92 2g5u s ALA 108 N 1.57 3.06 -0.01 9.38 0.00 -0.10 -1.14 121.76 134.52 2g5u s ALA 108 Ca 0.05 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.15 2g5u s ALA 108 Cb -0.16 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.69 2g5u s ALA 108 CO 0.03 0.59 -0.11 0.00 0.00 0.00 0.00 175.76 176.26 2g5u s ALA 109 N -0.87 0.97 -0.17 0.00 0.00 0.31 -1.45 121.76 120.55 2g5u s ALA 109 Ca 0.14 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.59 2g5u s ALA 109 Cb -0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 2g5u s ALA 109 CO 0.03 0.22 -0.08 -1.17 0.00 0.00 0.00 175.76 174.77 2g5u s LEU 110 N -0.20 2.89 -0.09 0.00 2.96 -0.25 -0.97 118.68 123.02 2g5u s LEU 110 Ca 0.03 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 2g5u s LEU 110 Cb -0.05 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 2g5u s LEU 110 CO -0.00 0.08 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.26 2g5u s LEU 111 N 0.85 3.00 0.16 -0.68 1.43 -0.06 -1.61 118.68 121.76 2g5u s LEU 111 Ca -0.02 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2g5u s LEU 111 Cb -0.15 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 2g5u s LEU 111 CO 0.01 0.30 -0.02 -0.44 0.23 0.00 0.00 176.35 176.43 2g5u s SER 112 N -0.43 1.23 0.35 2.29 0.01 0.29 -0.63 113.70 116.80 2g5u s SER 112 Ca 0.06 -1.13 0.05 0.00 1.31 0.00 0.00 55.95 56.24 2g5u s SER 112 Cb -0.12 0.11 0.72 0.00 0.21 0.00 0.00 66.02 66.93 2g5u s SER 112 CO 0.02 -0.53 1.95 -0.65 0.41 0.00 0.00 173.24 174.44 2g5u h PRO 113 N 2.76 0.76 -0.17 12.44 0.11 -1.99 -2.97 132.00 142.94 2g5u h PRO 113 Ca -0.36 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2g5u h PRO 113 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2g5u h PRO 113 CO 0.63 0.50 0.00 0.66 -0.21 0.00 0.00 178.00 179.59 2g5u n TYR 114 N -4.48 0.22 -3.85 0.65 4.02 -1.26 -1.45 117.16 111.01 2g5u n TYR 114 Ca 0.11 -0.29 -0.09 0.00 -0.01 0.00 0.00 57.90 57.63 2g5u n TYR 114 Cb 0.24 -0.02 -0.07 0.00 -0.02 0.00 0.00 39.34 39.47 2g5u n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2g5u s SER 115 N -0.90 0.09 0.13 7.72 0.15 -1.12 -4.97 113.70 114.80 2g5u s SER 115 Ca 0.16 -0.64 -0.19 0.00 0.70 0.00 0.00 55.95 55.98 2g5u s SER 115 Cb 0.09 0.35 0.05 0.00 -1.71 0.00 0.00 66.02 64.80 2g5u s SER 115 CO 0.13 -0.75 0.47 -0.72 1.20 0.00 0.00 173.24 173.57 2g5u s TYR 116 N -3.86 -0.33 0.07 3.44 -0.85 -1.26 -0.55 117.35 114.01 2g5u s TYR 116 Ca 0.05 0.07 0.06 0.00 -0.52 0.00 0.00 57.07 56.73 2g5u s TYR 116 Cb 0.05 0.36 -0.03 0.00 0.38 0.00 0.00 41.96 42.72 2g5u s TYR 116 CO -0.10 -0.75 -0.16 0.45 -1.52 0.00 0.00 175.55 173.47 2g5u s SER 117 N -2.73 1.91 0.04 -0.18 0.15 -0.63 -4.98 113.70 107.27 2g5u s SER 117 Ca 0.02 -0.60 0.02 0.00 0.70 0.00 0.00 55.95 56.09 2g5u s SER 117 Cb 0.01 -0.09 -0.02 0.00 -1.71 0.00 0.00 66.02 64.21 2g5u s SER 117 CO -0.12 -0.01 -0.07 0.28 1.20 0.00 0.00 173.24 174.52 2g5u s THR 118 N -1.14 0.46 0.05 6.45 -1.32 -1.26 -1.09 115.64 117.78 2g5u s THR 118 Ca 0.01 -1.00 -0.02 0.00 -1.21 0.00 0.00 61.69 59.48 2g5u s THR 118 Cb -0.10 -0.54 -0.03 0.00 -1.51 0.00 0.00 72.50 70.33 2g5u s THR 118 CO 0.02 -0.37 -0.01 -0.89 -2.21 0.00 0.00 174.62 171.17 2g5u s THR 119 N -1.31 0.19 -0.04 5.08 2.01 -0.53 -5.00 115.64 116.05 2g5u s THR 119 Ca -0.10 -1.59 0.05 0.00 0.31 0.00 0.00 61.69 60.36 2g5u s THR 119 Cb -0.09 -1.27 -0.01 0.00 0.01 0.00 0.00 72.50 71.14 2g5u s THR 119 CO 0.00 -0.88 -0.18 0.00 -0.69 0.00 0.00 174.62 172.87 2g5u s ALA 120 N -3.45 1.57 -0.24 7.40 0.00 -1.26 -0.92 121.76 124.86 2g5u s ALA 120 Ca 0.03 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 2g5u s ALA 120 Cb 0.04 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 2g5u s ALA 120 CO -0.08 0.31 0.03 0.08 0.00 0.00 0.00 175.76 176.11 2g5u s VAL 121 N -0.11 4.04 -0.19 0.00 1.01 -0.24 -4.97 120.40 119.92 2g5u s VAL 121 Ca -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 2g5u s VAL 121 Cb -0.10 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.42 2g5u s VAL 121 CO 0.01 0.37 -0.16 -0.69 0.00 0.00 0.00 175.10 174.64 2g5u s VAL 122 N 1.52 2.38 0.30 2.92 1.01 -1.26 -0.94 120.40 126.34 2g5u s VAL 122 Ca 0.06 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.21 2g5u s VAL 122 Cb -0.15 -2.04 -0.06 0.00 0.00 0.00 0.00 36.38 34.13 2g5u s VAL 122 CO 0.02 0.49 0.04 0.42 0.00 0.00 0.00 175.10 176.06 2g5u s THR 123 N 1.33 1.20 0.00 3.92 -4.23 -0.58 -4.97 115.64 112.30 2g5u s THR 123 Ca 0.05 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 2g5u s THR 123 Cb -0.14 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.02 2g5u s THR 123 CO -0.10 -0.08 0.05 -0.46 -0.54 0.00 0.00 174.62 173.49