#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gsb h SER 2 N 0.00 -0.24 -1.72 1.61 0.02 -2.09 -3.41 113.55 107.72 2gsb h SER 2 Ca 0.00 -0.22 -0.49 0.00 -0.84 0.00 0.00 61.79 60.23 2gsb h SER 2 Cb 0.00 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.54 2gsb h SER 2 CO 0.00 0.29 1.18 -0.94 -1.14 0.00 0.00 176.83 176.21 2gsb s SER 3 N -5.34 5.76 0.00 3.07 1.04 -1.26 -4.69 113.70 112.28 2gsb s SER 3 Ca -0.10 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 55.91 2gsb s SER 3 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2gsb s SER 3 CO 0.35 -2.11 0.00 0.61 0.98 0.00 0.00 173.24 173.07 2gsb n GLY 4 N 6.01 -0.33 3.36 7.32 0.00 -1.26 -5.12 105.19 115.17 2gsb n GLY 4 Ca 0.20 -0.48 0.02 0.00 0.00 0.00 0.00 46.02 45.77 2gsb n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gsb s SER 5 N -4.00 -0.57 -0.17 1.61 0.15 -1.26 -5.11 113.70 104.35 2gsb s SER 5 Ca 0.00 0.71 -0.40 0.00 0.70 0.00 0.00 55.95 56.97 2gsb s SER 5 Cb 0.00 1.62 -0.17 0.00 -1.71 0.00 0.00 66.02 65.76 2gsb s SER 5 CO 0.00 -0.11 1.55 -1.20 1.20 0.00 0.00 173.24 174.68 2gsb n SER 6 N 5.03 1.81 0.00 5.45 7.64 -1.26 -4.86 113.62 127.43 2gsb n SER 6 Ca -0.08 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.91 2gsb n SER 6 Cb 0.53 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 2gsb n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gsb n GLY 7 N 3.43 2.20 3.07 0.23 0.00 -1.26 -5.12 105.19 107.74 2gsb n GLY 7 Ca 0.24 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 2gsb n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gsb s ARG 8 N -2.00 2.12 0.25 1.61 0.52 -1.26 -5.10 118.95 115.08 2gsb s ARG 8 Ca 0.00 -1.44 -0.30 0.00 -0.52 0.00 0.00 55.73 53.47 2gsb s ARG 8 Cb 0.00 -2.98 -0.09 0.00 0.52 0.00 0.00 34.95 32.40 2gsb s ARG 8 CO 0.00 -0.65 0.97 -1.21 0.02 0.00 0.00 175.30 174.43 2gsb s GLU 9 N 1.08 4.82 0.51 3.54 0.41 -1.26 -5.06 118.70 122.73 2gsb s GLU 9 Ca -0.05 1.55 0.02 0.00 -0.41 0.00 0.00 54.97 56.07 2gsb s GLU 9 Cb -0.20 -3.26 -0.01 0.00 -1.78 0.00 0.00 34.13 28.88 2gsb s GLU 9 CO -0.05 0.46 0.01 -1.21 -0.49 0.00 0.00 175.26 173.98 2gsb s GLU 10 N -1.23 2.19 0.09 1.61 0.41 -1.26 -5.17 118.70 115.33 2gsb s GLU 10 Ca 0.42 -2.38 0.03 0.00 -0.41 0.00 0.00 54.97 52.63 2gsb s GLU 10 Cb -0.27 -1.55 -0.03 0.00 -1.78 0.00 0.00 34.13 30.49 2gsb s GLU 10 CO 0.34 -0.35 -0.09 -0.51 -0.49 0.00 0.00 175.26 174.15 2gsb s ASP 11 N -3.88 1.33 0.03 -0.19 1.01 -1.26 -5.07 116.67 108.63 2gsb s ASP 11 Ca 0.08 -0.79 -0.21 0.00 0.71 0.00 0.00 52.55 52.34 2gsb s ASP 11 Cb 0.02 0.02 -0.16 0.00 1.01 0.00 0.00 42.92 43.81 2gsb s ASP 11 CO 0.04 -0.27 1.33 1.55 0.21 0.00 0.00 175.17 178.03 2gsb h PRO 12 N 3.67 0.28 -1.02 8.23 0.13 -2.08 -3.18 132.00 138.04 2gsb h PRO 12 Ca -0.37 -0.15 0.29 0.00 -0.87 0.00 0.00 66.00 64.91 2gsb h PRO 12 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 2gsb h PRO 12 CO 0.52 0.68 0.60 0.45 -0.23 0.00 0.00 178.00 180.02 2gsb h HIS 13 N -0.12 0.93 -1.45 1.56 3.86 -2.03 -3.42 115.15 114.49 2gsb h HIS 13 Ca 0.02 0.04 -0.72 0.00 -1.16 0.00 0.00 60.37 58.54 2gsb h HIS 13 Cb 0.63 -0.26 0.05 0.00 1.06 0.00 0.00 27.41 28.90 2gsb h HIS 13 CO 0.09 -0.07 0.35 0.39 0.86 0.00 0.00 177.93 179.55 2gsb n GLU 14 N -4.95 0.77 0.00 2.45 1.02 -1.20 -2.26 120.64 116.47 2gsb n GLU 14 Ca 0.30 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 2gsb n GLU 14 Cb 0.90 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 2gsb n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gsb n GLY 15 N 2.28 3.07 3.58 0.62 0.00 -1.26 -5.03 105.19 108.45 2gsb n GLY 15 Ca 0.19 -1.14 -0.45 0.00 0.00 0.00 0.00 46.02 44.63 2gsb n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gsb n LYS 16 N 0.00 1.28 -0.20 1.61 4.76 -0.96 -4.88 118.16 119.77 2gsb n LYS 16 Ca 0.00 0.45 -0.09 0.00 -2.87 0.00 0.00 58.31 55.79 2gsb n LYS 16 Cb 0.00 -1.80 0.02 0.00 -1.84 0.00 0.00 35.03 31.41 2gsb n LYS 16 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 2gsb h ILE 17 N 1.93 1.26 0.00 -0.18 2.10 -1.95 -2.32 117.51 118.36 2gsb h ILE 17 Ca -0.39 -1.12 0.00 0.00 1.08 0.00 0.00 64.86 64.43 2gsb h ILE 17 Cb 1.35 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.95 2gsb h ILE 17 CO 0.60 0.40 0.00 -2.67 -1.08 0.00 0.00 178.15 175.40 2gsb n TRP 18 N -4.25 0.74 -3.16 2.19 4.27 -1.26 -4.63 117.44 111.34 2gsb n TRP 18 Ca 0.02 0.29 -0.26 0.00 -3.89 0.00 0.00 57.50 53.66 2gsb n TRP 18 Cb 0.33 -0.97 -0.02 0.00 -1.36 0.00 0.00 31.31 29.30 2gsb n TRP 18 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2gsb s PHE 19 N -3.29 3.51 -0.17 -2.67 5.36 -0.87 0.07 117.98 119.92 2gsb s PHE 19 Ca 0.04 0.59 -0.07 0.00 -0.96 0.00 0.00 56.93 56.53 2gsb s PHE 19 Cb 0.09 -2.09 0.07 0.00 -0.34 0.00 0.00 43.02 40.76 2gsb s PHE 19 CO 0.38 0.03 0.37 -1.01 -1.46 0.00 0.00 175.22 173.53 2gsb s HIS 20 N -2.35 -0.62 0.00 10.12 3.76 0.19 -4.80 115.29 121.59 2gsb s HIS 20 Ca 0.44 1.28 0.00 0.00 -0.15 0.00 0.00 55.06 56.62 2gsb s HIS 20 Cb -0.10 0.21 0.00 0.00 1.11 0.00 0.00 32.58 33.80 2gsb s HIS 20 CO 0.36 -0.39 0.00 0.41 -0.85 0.00 0.00 174.74 174.27 2gsb n GLY 21 N 4.86 0.00 0.24 -2.22 0.00 -1.26 -3.79 105.19 103.01 2gsb n GLY 21 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 2gsb n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gsb h LYS 22 N 0.00 0.78 0.00 1.61 1.57 -2.00 -3.44 116.57 115.08 2gsb h LYS 22 Ca 0.00 -0.17 -0.20 0.00 -1.87 0.00 0.00 60.65 58.41 2gsb h LYS 22 Cb 0.10 -0.11 0.10 0.00 0.08 0.00 0.00 32.23 32.40 2gsb h LYS 22 CO 0.00 0.73 0.04 0.44 -0.57 0.00 0.00 179.45 180.08 2gsb n ILE 23 N -4.50 0.00 -4.26 1.86 -5.35 -1.26 -5.09 119.36 100.76 2gsb n ILE 23 Ca 0.02 -0.21 -0.16 0.00 -0.27 0.00 0.00 62.75 62.12 2gsb n ILE 23 Cb 0.19 -1.02 -0.03 0.00 -1.74 0.00 0.00 39.64 37.05 2gsb n ILE 23 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2gsb n SER 24 N -4.04 2.57 0.04 7.28 2.88 -1.26 -5.01 113.62 116.08 2gsb n SER 24 Ca 0.08 -2.12 -0.13 0.00 -1.33 0.00 0.00 58.87 55.37 2gsb n SER 24 Cb 0.30 0.15 -0.09 0.00 -0.75 0.00 0.00 64.21 63.82 2gsb n SER 24 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2gsb h LYS 25 N 0.00 -0.14 -0.81 -1.46 3.64 -1.98 -2.27 116.57 113.55 2gsb h LYS 25 Ca -0.21 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 2gsb h LYS 25 Cb 0.66 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.47 2gsb h LYS 25 CO 0.35 0.29 0.46 -0.56 -2.27 0.00 0.00 179.45 177.72 2gsb h GLN 26 N -0.63 1.11 -0.17 1.90 3.07 -2.02 -2.78 115.11 115.60 2gsb h GLN 26 Ca -0.01 -0.12 -0.00 0.00 0.09 0.00 0.00 58.65 58.61 2gsb h GLN 26 Cb 0.50 -0.23 -0.01 0.00 0.08 0.00 0.00 27.48 27.82 2gsb h GLN 26 CO 0.02 0.80 0.09 0.93 0.09 0.00 0.00 178.83 180.77 2gsb h GLU 27 N 1.12 0.24 -1.04 0.06 3.07 -1.96 -2.62 114.58 113.45 2gsb h GLU 27 Ca 0.29 -0.03 0.31 0.00 -0.50 0.00 0.00 59.36 59.43 2gsb h GLU 27 Cb 0.00 -0.05 -0.13 0.00 -0.84 0.00 0.00 28.75 27.73 2gsb h GLU 27 CO -0.05 0.24 0.62 0.00 -1.40 0.00 0.00 179.01 178.42 2gsb h ALA 28 N 0.99 2.03 -0.53 3.43 0.00 -1.11 0.33 119.26 124.40 2gsb h ALA 28 Ca 0.06 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2gsb h ALA 28 Cb 0.07 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2gsb h ALA 28 CO -0.01 -0.59 0.33 1.88 0.00 0.00 0.00 179.25 180.87 2gsb h TYR 29 N 0.37 0.63 -0.23 0.00 0.05 -1.45 -2.24 116.97 114.11 2gsb h TYR 29 Ca 0.70 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 59.45 2gsb h TYR 29 Cb 1.63 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 39.16 2gsb h TYR 29 CO -0.01 0.38 -0.06 -0.91 -1.05 0.00 0.00 178.16 176.51 2gsb h ASN 30 N 0.67 0.45 0.00 3.88 4.21 -0.42 -2.74 115.58 121.63 2gsb h ASN 30 Ca 0.21 -0.37 0.01 0.00 1.21 0.00 0.00 56.30 57.35 2gsb h ASN 30 Cb -0.02 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.03 2gsb h ASN 30 CO -0.07 0.72 -0.28 -0.07 -1.29 0.00 0.00 177.43 176.44 2gsb h LEU 31 N 0.17 -0.86 -0.87 1.61 3.38 -0.95 1.78 115.31 119.57 2gsb h LEU 31 Ca 0.06 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2gsb h LEU 31 Cb 0.53 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2gsb h LEU 31 CO 0.02 -0.27 0.07 0.18 0.09 0.00 0.00 178.44 178.53 2gsb n LEU 32 N -4.02 0.34 -0.00 1.67 4.77 -0.86 0.25 117.00 119.13 2gsb n LEU 32 Ca -0.04 0.62 0.09 0.00 -0.03 0.00 0.00 56.01 56.65 2gsb n LEU 32 Cb 0.21 -0.65 -0.12 0.00 -2.33 0.00 0.00 43.42 40.53 2gsb n LEU 32 CO 0.06 -0.74 -0.31 0.23 -1.33 0.00 0.00 177.39 175.31 2gsb n MET 33 N -1.95 0.76 0.00 3.23 2.81 0.72 -3.54 117.12 119.14 2gsb n MET 33 Ca -0.01 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 2gsb n MET 33 Cb 0.09 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 2gsb n MET 33 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2gsb n THR 34 N -1.72 0.00 0.05 2.03 -2.24 0.57 -4.84 114.28 108.14 2gsb n THR 34 Ca 0.01 0.11 -0.15 0.00 -2.27 0.00 0.00 64.05 61.75 2gsb n THR 34 Cb 0.37 -0.97 -0.05 0.00 -2.10 0.00 0.00 70.33 67.58 2gsb n THR 34 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 2gsb h VAL 35 N 0.00 1.36 -1.68 2.28 -1.51 -1.06 -3.46 116.25 112.19 2gsb h VAL 35 Ca 0.00 -2.34 -0.03 0.00 -1.23 0.00 0.00 66.70 63.10 2gsb h VAL 35 Cb 0.00 2.35 0.01 0.00 -2.13 0.00 0.00 31.29 31.52 2gsb h VAL 35 CO 0.00 0.71 0.01 0.61 -1.23 0.00 0.00 177.57 177.67 2gsb n GLY 36 N 0.92 -2.33 2.58 5.19 0.00 0.24 -4.85 105.19 106.94 2gsb n GLY 36 Ca -0.07 -1.47 -0.06 0.00 0.00 0.00 0.00 46.02 44.41 2gsb n GLY 36 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gsb n GLN 37 N -1.68 0.78 0.00 1.61 6.02 -1.23 -4.70 117.38 118.17 2gsb n GLN 37 Ca 0.01 -1.54 0.08 0.00 -0.01 0.00 0.00 57.00 55.54 2gsb n GLN 37 Cb 0.04 1.91 0.47 0.00 1.02 0.00 0.00 30.24 33.68 2gsb n GLN 37 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2gsb n VAL 38 N -0.37 0.00 -2.56 5.09 0.31 -1.26 -2.60 118.33 116.94 2gsb n VAL 38 Ca -0.06 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.17 2gsb n VAL 38 Cb 0.41 -0.75 0.04 0.00 -0.91 0.00 0.00 33.84 32.62 2gsb n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gsb s SER 40 N -3.64 -0.04 0.29 0.00 0.15 -1.07 -2.47 113.70 106.92 2gsb s SER 40 Ca 0.35 -0.23 -0.00 0.00 0.70 0.00 0.00 55.95 56.77 2gsb s SER 40 Cb 0.37 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 2gsb s SER 40 CO -0.02 -0.53 0.38 2.22 1.20 0.00 0.00 173.24 176.50 2gsb n PHE 41 N 0.85 -1.19 -3.56 3.44 -1.74 -1.26 -3.56 117.46 110.44 2gsb n PHE 41 Ca -0.20 -2.02 -0.10 0.00 -0.56 0.00 0.00 57.45 54.57 2gsb n PHE 41 Cb 0.58 0.43 -0.04 0.00 1.52 0.00 0.00 39.48 41.97 2gsb n PHE 41 CO 0.00 0.00 0.00 -0.48 -0.56 0.00 0.00 176.76 175.72 2gsb s LEU 42 N 0.00 -0.36 -0.14 5.98 0.05 -1.13 -2.41 118.68 120.68 2gsb s LEU 42 Ca 0.26 0.30 -0.03 0.00 0.05 0.00 0.00 54.13 54.71 2gsb s LEU 42 Cb -0.00 1.89 -0.03 0.00 -2.05 0.00 0.00 46.19 46.00 2gsb s LEU 42 CO 0.18 -0.40 -0.04 -0.69 -0.55 0.00 0.00 176.35 174.85 2gsb s VAL 43 N -1.61 3.91 0.05 1.48 1.01 0.11 -2.43 120.40 122.93 2gsb s VAL 43 Ca 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.66 2gsb s VAL 43 Cb -0.01 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 2gsb s VAL 43 CO -0.01 0.52 -0.12 0.00 0.00 0.00 0.00 175.10 175.49 2gsb s ARG 44 N 0.08 0.74 0.08 2.72 1.70 -1.12 0.54 118.95 123.69 2gsb s ARG 44 Ca -0.00 -0.81 -0.31 0.00 -0.47 0.00 0.00 55.73 54.14 2gsb s ARG 44 Cb -0.13 -0.67 -0.07 0.00 -0.57 0.00 0.00 34.95 33.50 2gsb s ARG 44 CO 0.03 0.15 1.38 -1.25 -1.08 0.00 0.00 175.30 174.53 2gsb s PRO 45 N -1.47 4.32 0.18 3.89 0.04 -1.25 -2.14 135.00 138.57 2gsb s PRO 45 Ca -0.03 2.03 -0.32 0.00 0.04 0.00 0.00 61.00 62.72 2gsb s PRO 45 Cb -0.09 -3.35 -0.12 0.00 0.04 0.00 0.00 34.50 30.99 2gsb s PRO 45 CO 0.01 -0.46 1.76 -1.12 0.04 0.00 0.00 177.00 177.23 2gsb s SER 46 N 1.33 6.38 0.49 6.66 0.01 0.13 -4.88 113.70 123.82 2gsb s SER 46 Ca 0.64 2.85 -0.12 0.00 1.31 0.00 0.00 55.95 60.63 2gsb s SER 46 Cb -0.35 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.23 2gsb s SER 46 CO 0.29 -0.99 0.88 -0.62 0.41 0.00 0.00 173.24 173.22 2gsb s ASP 47 N 1.64 6.46 -0.51 2.44 -1.08 -1.26 -3.80 116.67 120.57 2gsb s ASP 47 Ca 0.77 1.29 0.00 0.00 -0.52 0.00 0.00 52.55 54.09 2gsb s ASP 47 Cb -0.49 -2.40 0.00 0.00 -1.46 0.00 0.00 42.92 38.58 2gsb s ASP 47 CO 0.33 -0.57 0.00 -0.46 0.52 0.00 0.00 175.17 175.00 2gsb n ASN 48 N -1.78 -2.15 -3.80 -0.34 0.23 -1.26 -4.89 115.26 101.28 2gsb n ASN 48 Ca 0.04 0.31 -0.16 0.00 -0.53 0.00 0.00 54.58 54.24 2gsb n ASN 48 Cb 0.54 -1.98 -0.16 0.00 -2.08 0.00 0.00 39.78 36.10 2gsb n ASN 48 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2gsb s THR 49 N -2.10 0.09 0.01 5.53 2.01 -1.25 -5.13 115.64 114.80 2gsb s THR 49 Ca 0.00 0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 2gsb s THR 49 Cb 0.00 -0.20 -0.06 0.00 0.01 0.00 0.00 72.50 72.25 2gsb s THR 49 CO 0.00 0.13 1.44 -2.16 -0.69 0.00 0.00 174.62 173.34 2gsb s PRO 50 N 1.07 4.27 -0.67 4.92 0.04 -1.26 -4.00 135.00 139.36 2gsb s PRO 50 Ca -0.09 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 62.91 2gsb s PRO 50 Cb -0.13 -3.59 0.01 0.00 0.04 0.00 0.00 34.50 30.83 2gsb s PRO 50 CO -0.02 -0.61 0.53 0.41 0.04 0.00 0.00 177.00 177.35 2gsb n GLY 51 N 3.71 -0.93 3.14 0.56 0.00 -1.26 -4.97 105.19 105.45 2gsb n GLY 51 Ca 0.14 0.61 -0.08 0.00 0.00 0.00 0.00 46.02 46.68 2gsb n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gsb s ASP 52 N -2.60 0.35 0.14 1.61 1.11 -1.26 -4.38 116.67 111.64 2gsb s ASP 52 Ca 0.06 -0.98 -0.10 0.00 0.18 0.00 0.00 52.55 51.71 2gsb s ASP 52 Cb -0.01 0.27 0.00 0.00 1.07 0.00 0.00 42.92 44.25 2gsb s ASP 52 CO 0.78 -0.68 0.28 -0.31 1.18 0.00 0.00 175.17 176.42 2gsb s TYR 53 N -3.94 0.22 -0.16 4.23 1.51 -1.05 -0.69 117.35 117.46 2gsb s TYR 53 Ca 0.12 -0.60 -0.12 0.00 -1.01 0.00 0.00 57.07 55.45 2gsb s TYR 53 Cb 0.07 0.00 0.05 0.00 -0.11 0.00 0.00 41.96 41.97 2gsb s TYR 53 CO -0.07 -0.67 0.42 -1.12 -1.11 0.00 0.00 175.55 173.00 2gsb s SER 54 N -2.91 -0.48 0.46 2.29 0.01 -0.91 -0.76 113.70 111.39 2gsb s SER 54 Ca 0.11 0.88 -0.02 0.00 1.31 0.00 0.00 55.95 58.23 2gsb s SER 54 Cb 0.03 0.83 -0.02 0.00 0.21 0.00 0.00 66.02 67.08 2gsb s SER 54 CO -0.05 -0.17 0.71 -0.22 0.41 0.00 0.00 173.24 173.93 2gsb s LEU 55 N 0.73 3.67 -0.17 2.44 2.96 -0.19 -2.79 118.68 125.33 2gsb s LEU 55 Ca -0.04 0.61 -0.04 0.00 -0.22 0.00 0.00 54.13 54.44 2gsb s LEU 55 Cb -0.05 -3.50 0.07 0.00 0.50 0.00 0.00 46.19 43.21 2gsb s LEU 55 CO -0.05 -0.61 0.17 -0.31 -1.32 0.00 0.00 176.35 174.23 2gsb s TYR 56 N -2.63 -0.13 0.07 5.38 1.51 -1.02 -1.37 117.35 119.18 2gsb s TYR 56 Ca 0.47 0.17 0.09 0.00 -1.01 0.00 0.00 57.07 56.78 2gsb s TYR 56 Cb -0.10 -0.43 -0.03 0.00 -0.11 0.00 0.00 41.96 41.29 2gsb s TYR 56 CO 0.41 -0.50 -0.23 0.12 -1.11 0.00 0.00 175.55 174.24 2gsb s PHE 57 N 2.27 1.99 -0.04 2.71 5.36 0.44 -2.83 117.98 127.88 2gsb s PHE 57 Ca 0.05 -0.39 -0.04 0.00 -0.96 0.00 0.00 56.93 55.59 2gsb s PHE 57 Cb -0.15 -1.14 -0.04 0.00 -0.34 0.00 0.00 43.02 41.35 2gsb s PHE 57 CO -0.10 0.17 0.16 0.50 -1.46 0.00 0.00 175.22 174.49 2gsb s ARG 58 N -1.53 3.40 0.24 10.12 6.06 -1.23 0.61 118.95 136.62 2gsb s ARG 58 Ca 0.09 -0.29 -0.00 0.00 -2.50 0.00 0.00 55.73 53.03 2gsb s ARG 58 Cb -0.10 -3.10 -0.03 0.00 0.06 0.00 0.00 34.95 31.78 2gsb s ARG 58 CO 0.03 0.70 0.20 0.95 -2.50 0.00 0.00 175.30 174.68 2gsb s THR 59 N -1.23 0.00 0.21 4.11 -4.23 -1.25 -4.49 115.64 108.76 2gsb s THR 59 Ca 0.23 -1.95 -0.10 0.00 -1.18 0.00 0.00 61.69 58.70 2gsb s THR 59 Cb -0.12 -2.49 0.14 0.00 1.34 0.00 0.00 72.50 71.37 2gsb s THR 59 CO 0.14 0.00 1.83 -0.55 -0.54 0.00 0.00 174.62 175.50 2gsb h ASN 60 N 2.47 0.66 0.10 3.99 7.08 -1.99 -3.25 115.58 124.63 2gsb h ASN 60 Ca -0.33 0.01 -0.00 0.00 -3.08 0.00 0.00 56.30 52.90 2gsb h ASN 60 Cb 1.25 -0.13 0.00 0.00 -2.08 0.00 0.00 38.32 37.36 2gsb h ASN 60 CO 0.48 0.45 -0.05 -0.08 -2.08 0.00 0.00 177.43 176.15 2gsb h GLU 61 N 0.79 -0.12 -2.29 4.14 4.57 -2.03 -3.49 114.58 116.15 2gsb h GLU 61 Ca 0.28 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.53 2gsb h GLU 61 Cb 0.07 0.03 -0.16 0.00 -0.16 0.00 0.00 28.75 28.53 2gsb h GLU 61 CO -0.13 -0.08 0.42 0.54 -1.18 0.00 0.00 179.01 178.58 2gsb s ASN 62 N -2.75 -0.43 0.08 1.04 4.22 -1.23 -5.13 114.94 110.74 2gsb s ASN 62 Ca -0.02 0.13 -0.31 0.00 -2.14 0.00 0.00 52.86 50.52 2gsb s ASN 62 Cb 0.00 0.43 -0.10 0.00 1.28 0.00 0.00 41.25 42.86 2gsb s ASN 62 CO 0.06 -0.65 1.90 -0.38 -2.04 0.00 0.00 177.10 175.99 2gsb n ILE 63 N -0.02 0.55 -3.77 0.54 5.41 -1.26 -3.77 119.36 117.03 2gsb n ILE 63 Ca -0.12 -0.10 -0.21 0.00 1.00 0.00 0.00 62.75 63.33 2gsb n ILE 63 Cb 0.61 -2.20 -0.03 0.00 -0.71 0.00 0.00 39.64 37.31 2gsb n ILE 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2gsb s GLN 64 N 3.50 2.78 0.05 0.38 -2.07 0.20 -4.95 119.66 119.56 2gsb s GLN 64 Ca 0.85 -1.25 -0.06 0.00 -1.82 0.00 0.00 55.36 53.08 2gsb s GLN 64 Cb -0.47 -2.52 -0.01 0.00 -1.09 0.00 0.00 33.01 28.92 2gsb s GLN 64 CO 0.40 0.09 0.12 -0.98 -1.32 0.00 0.00 175.29 173.60 2gsb s ARG 65 N -4.02 0.68 0.29 9.60 1.70 -1.26 -0.42 118.95 125.53 2gsb s ARG 65 Ca 0.41 -0.86 0.04 0.00 -0.47 0.00 0.00 55.73 54.84 2gsb s ARG 65 Cb -0.06 0.27 -0.06 0.00 -0.57 0.00 0.00 34.95 34.53 2gsb s ARG 65 CO 0.27 -0.18 0.04 -0.06 -1.08 0.00 0.00 175.30 174.29 2gsb s PHE 66 N -3.16 1.83 -0.05 5.89 0.08 -0.47 -4.92 117.98 117.18 2gsb s PHE 66 Ca -0.00 -0.96 0.06 0.00 0.12 0.00 0.00 56.93 56.16 2gsb s PHE 66 Cb 0.02 -1.15 -0.01 0.00 -0.57 0.00 0.00 43.02 41.31 2gsb s PHE 66 CO -0.07 -0.02 -0.24 0.15 -0.10 0.00 0.00 175.22 174.93 2gsb s LYS 67 N -3.89 2.44 -0.14 0.44 1.02 -1.26 -1.02 119.74 117.33 2gsb s LYS 67 Ca 0.34 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 55.45 2gsb s LYS 67 Cb 0.08 -2.15 0.02 0.00 -0.52 0.00 0.00 37.83 35.26 2gsb s LYS 67 CO 0.14 0.44 -0.15 0.42 -0.92 0.00 0.00 175.35 175.27 2gsb s ILE 68 N -0.31 1.64 -0.09 2.17 1.01 0.06 -3.94 121.20 121.75 2gsb s ILE 68 Ca 0.01 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 2gsb s ILE 68 Cb -0.13 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 2gsb s ILE 68 CO 0.02 0.47 0.07 0.00 0.00 0.00 0.00 174.94 175.50 2gsb s PRO 70 N -1.03 0.87 -0.01 0.00 0.04 -1.26 -1.01 135.00 132.60 2gsb s PRO 70 Ca 0.15 0.68 -0.03 0.00 0.04 0.00 0.00 61.00 61.84 2gsb s PRO 70 Cb -0.12 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2gsb s PRO 70 CO 0.04 -2.47 0.07 0.95 0.04 0.00 0.00 177.00 175.63 2gsb s THR 71 N -2.95 0.04 -1.79 1.26 -4.23 -1.08 -4.73 115.64 102.16 2gsb s THR 71 Ca 0.64 -0.33 0.15 0.00 -1.18 0.00 0.00 61.69 60.98 2gsb s THR 71 Cb -0.18 -0.21 0.38 0.00 1.34 0.00 0.00 72.50 73.82 2gsb s THR 71 CO 0.57 -0.18 1.37 -0.81 -0.54 0.00 0.00 174.62 175.03 2gsb n PRO 72 N 2.42 0.39 -0.76 3.99 -0.04 -1.26 -2.59 135.00 137.14 2gsb n PRO 72 Ca -0.17 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 2gsb n PRO 72 Cb 0.58 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.81 2gsb n PRO 72 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2gsb n ASN 73 N -1.11 4.45 -2.62 3.54 4.13 -1.26 -4.88 115.26 117.51 2gsb n ASN 73 Ca 0.10 -2.84 -0.21 0.00 1.68 0.00 0.00 54.58 53.31 2gsb n ASN 73 Cb 0.08 -0.67 0.00 0.00 -1.54 0.00 0.00 39.78 37.65 2gsb n ASN 73 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2gsb n ASN 74 N 0.21 -5.80 -3.04 6.41 2.85 -1.07 -4.96 115.26 109.86 2gsb n ASN 74 Ca 0.27 -0.10 -0.17 0.00 -0.11 0.00 0.00 54.58 54.48 2gsb n ASN 74 Cb 1.08 -4.78 -0.05 0.00 1.24 0.00 0.00 39.78 37.27 2gsb n ASN 74 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2gsb n GLN 75 N -3.34 0.64 -4.71 1.20 6.02 -1.24 -4.83 117.38 111.10 2gsb n GLN 75 Ca -0.19 -2.35 -0.23 0.00 -0.01 0.00 0.00 57.00 54.22 2gsb n GLN 75 Cb 0.66 1.36 -0.15 0.00 1.02 0.00 0.00 30.24 33.13 2gsb n GLN 75 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2gsb s PHE 76 N -2.64 1.37 -0.17 1.08 0.08 -1.06 -2.64 117.98 114.00 2gsb s PHE 76 Ca 0.16 -0.26 -0.04 0.00 0.12 0.00 0.00 56.93 56.91 2gsb s PHE 76 Cb 0.01 -0.88 -0.03 0.00 -0.57 0.00 0.00 43.02 41.55 2gsb s PHE 76 CO 0.11 -0.02 -0.02 -1.64 -0.10 0.00 0.00 175.22 173.55 2gsb s MET 77 N -0.35 3.68 -0.32 0.44 -1.94 -0.18 -2.40 119.30 118.23 2gsb s MET 77 Ca 0.06 -0.51 0.01 0.00 -1.71 0.00 0.00 55.69 53.54 2gsb s MET 77 Cb -0.06 -2.98 0.10 0.00 2.01 0.00 0.00 34.83 33.90 2gsb s MET 77 CO -0.01 0.19 0.08 1.41 -0.01 0.00 0.00 175.02 176.68 2gsb s MET 78 N 0.52 0.96 0.00 2.03 1.75 -1.23 -1.30 119.30 122.03 2gsb s MET 78 Ca -0.02 -1.30 0.00 0.00 -1.25 0.00 0.00 55.69 53.11 2gsb s MET 78 Cb -0.14 -2.36 0.00 0.00 2.84 0.00 0.00 34.83 35.17 2gsb s MET 78 CO 0.02 -0.96 0.00 0.41 -0.65 0.00 0.00 175.02 173.84 2gsb n GLY 79 N 4.67 1.97 0.00 2.11 0.00 -1.25 -3.82 105.19 108.86 2gsb n GLY 79 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2gsb n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gsb n GLY 80 N 0.00 0.00 3.36 -0.02 0.00 -1.26 -5.15 105.19 102.12 2gsb n GLY 80 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2gsb n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gsb s ARG 81 N 0.00 1.74 -0.06 1.61 0.52 -1.25 -5.16 118.95 116.35 2gsb s ARG 81 Ca 0.00 -2.02 0.04 0.00 -0.52 0.00 0.00 55.73 53.23 2gsb s ARG 81 Cb 0.00 -0.06 0.00 0.00 0.52 0.00 0.00 34.95 35.41 2gsb s ARG 81 CO 0.00 -0.54 -0.18 0.71 0.02 0.00 0.00 175.30 175.31 2gsb s TYR 82 N -3.45 1.88 -0.02 -0.53 2.02 -1.26 -3.51 117.35 112.48 2gsb s TYR 82 Ca 0.34 -0.64 0.03 0.00 -0.37 0.00 0.00 57.07 56.42 2gsb s TYR 82 Cb 0.03 -1.28 -0.00 0.00 -0.40 0.00 0.00 41.96 40.31 2gsb s TYR 82 CO 0.20 -0.26 -0.09 0.71 -1.57 0.00 0.00 175.55 174.55 2gsb s TYR 83 N 0.27 0.89 0.27 2.71 1.51 -1.01 -5.02 117.35 116.98 2gsb s TYR 83 Ca -0.10 -0.20 -0.08 0.00 -1.01 0.00 0.00 57.07 55.68 2gsb s TYR 83 Cb -0.14 -0.61 0.44 0.00 -0.11 0.00 0.00 41.96 41.54 2gsb s TYR 83 CO 0.04 -0.06 1.58 -0.91 -1.11 0.00 0.00 175.55 175.09 2gsb h ASN 84 N 6.19 -0.79 -4.81 2.29 2.35 -1.92 -2.80 115.58 116.09 2gsb h ASN 84 Ca -0.32 0.27 0.08 0.00 -0.55 0.00 0.00 56.30 55.78 2gsb h ASN 84 Cb 1.17 0.55 -0.13 0.00 0.05 0.00 0.00 38.32 39.96 2gsb h ASN 84 CO 0.49 -0.30 0.41 -0.94 -1.65 0.00 0.00 177.43 175.44 2gsb s SER 85 N -5.23 -0.40 0.22 5.81 1.04 -1.26 -4.47 113.70 109.41 2gsb s SER 85 Ca -0.15 -0.05 -0.12 0.00 0.48 0.00 0.00 55.95 56.12 2gsb s SER 85 Cb 0.25 0.46 0.28 0.00 0.10 0.00 0.00 66.02 67.12 2gsb s SER 85 CO 0.77 -0.76 1.63 0.40 0.98 0.00 0.00 173.24 176.27 2gsb h ILE 86 N 2.00 0.39 -1.04 -1.02 2.04 -1.95 0.12 117.51 118.06 2gsb h ILE 86 Ca -0.25 -0.01 0.28 0.00 1.00 0.00 0.00 64.86 65.88 2gsb h ILE 86 Cb 1.26 0.34 -0.12 0.00 -0.74 0.00 0.00 36.82 37.56 2gsb h ILE 86 CO 0.32 0.01 0.63 1.23 0.00 0.00 0.00 178.15 180.34 2gsb h GLY 87 N 0.04 1.70 0.59 5.37 0.00 -1.99 -1.19 103.07 107.58 2gsb h GLY 87 Ca 0.33 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 2gsb h GLY 87 CO -0.63 -0.28 -0.11 -0.55 0.00 0.00 0.00 176.54 174.97 2gsb h ASP 88 N 0.43 -0.27 -1.17 0.19 3.32 -1.16 -3.11 116.42 114.64 2gsb h ASP 88 Ca 0.66 -0.24 0.41 0.00 0.02 0.00 0.00 57.03 57.88 2gsb h ASP 88 Cb 1.51 0.07 -0.12 0.00 0.22 0.00 0.00 39.33 41.01 2gsb h ASP 88 CO -0.45 0.14 0.75 -0.38 -1.72 0.00 0.00 179.24 177.58 2gsb n ILE 89 N -5.06 -0.22 0.19 0.35 5.41 -0.46 0.83 119.36 120.41 2gsb n ILE 89 Ca -0.09 1.56 -0.14 0.00 1.00 0.00 0.00 62.75 65.08 2gsb n ILE 89 Cb 0.26 -2.56 -0.08 0.00 -0.71 0.00 0.00 39.64 36.55 2gsb n ILE 89 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2gsb h ILE 90 N 0.00 0.63 0.00 1.39 5.03 -1.46 -0.89 117.51 122.21 2gsb h ILE 90 Ca 0.76 -0.42 -0.02 0.00 -0.12 0.00 0.00 64.86 65.06 2gsb h ILE 90 Cb 2.42 0.83 -0.00 0.00 -3.03 0.00 0.00 36.82 37.04 2gsb h ILE 90 CO -0.41 0.08 -0.10 0.44 -0.68 0.00 0.00 178.15 177.48 2gsb h ASP 91 N -0.73 0.00 0.11 1.72 5.19 0.37 0.57 116.42 123.64 2gsb h ASP 91 Ca -0.05 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.15 2gsb h ASP 91 Cb 0.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.02 2gsb h ASP 91 CO 0.08 0.10 -0.81 -0.74 -3.12 0.00 0.00 179.24 174.75 2gsb h HIS 92 N 0.00 0.78 0.14 4.55 2.76 -0.78 -3.28 115.15 119.32 2gsb h HIS 92 Ca -0.00 -0.37 -0.29 0.00 -2.20 0.00 0.00 60.37 57.51 2gsb h HIS 92 Cb 0.21 -0.11 0.02 0.00 1.55 0.00 0.00 27.41 29.08 2gsb h HIS 92 CO 0.00 1.17 -1.25 1.88 -1.30 0.00 0.00 177.93 178.42 2gsb h TYR 93 N 0.37 0.78 -1.05 5.26 0.05 -0.49 -2.56 116.97 119.33 2gsb h TYR 93 Ca -0.06 -0.52 0.30 0.00 0.05 0.00 0.00 58.73 58.51 2gsb h TYR 93 Cb 1.42 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 39.07 2gsb h TYR 93 CO 0.07 1.38 0.89 0.00 -1.05 0.00 0.00 178.16 179.44 2gsb h ARG 94 N 0.17 0.00 0.00 4.88 3.08 -0.97 0.78 114.38 122.33 2gsb h ARG 94 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2gsb h ARG 94 Cb 1.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.99 2gsb h ARG 94 CO 0.22 0.00 -0.67 0.36 -1.07 0.00 0.00 179.97 178.81 2gsb n LYS 95 N -3.85 2.81 -4.02 0.04 2.85 -1.23 -4.76 118.16 110.01 2gsb n LYS 95 Ca 0.23 -0.01 -0.31 0.00 -1.05 0.00 0.00 58.31 57.16 2gsb n LYS 95 Cb 1.23 -1.08 -0.16 0.00 -0.65 0.00 0.00 35.03 34.37 2gsb n LYS 95 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2gsb s GLU 96 N -2.19 2.28 -0.36 -1.58 0.41 0.27 -5.07 118.70 112.45 2gsb s GLU 96 Ca 0.03 -0.74 -0.40 0.00 -0.41 0.00 0.00 54.97 53.46 2gsb s GLU 96 Cb 0.09 -2.32 -0.15 0.00 -1.78 0.00 0.00 34.13 29.96 2gsb s GLU 96 CO 0.48 -0.32 1.93 0.00 -0.49 0.00 0.00 175.26 176.86 2gsb n GLN 97 N 4.70 0.83 0.21 1.61 10.64 -1.26 -4.40 117.38 129.72 2gsb n GLN 97 Ca -0.16 0.27 0.13 0.00 -1.83 0.00 0.00 57.00 55.41 2gsb n GLN 97 Cb 0.48 -2.05 0.34 0.00 -0.86 0.00 0.00 30.24 28.16 2gsb n GLN 97 CO 0.00 0.00 0.00 0.97 -1.83 0.00 0.00 177.06 176.20 2gsb h ILE 98 N 6.08 0.00 -4.28 -0.39 2.10 -1.72 -3.46 117.51 115.84 2gsb h ILE 98 Ca -0.34 -0.76 -0.31 0.00 1.08 0.00 0.00 64.86 64.53 2gsb h ILE 98 Cb 1.34 1.75 -0.06 0.00 -1.09 0.00 0.00 36.82 38.76 2gsb h ILE 98 CO 1.00 0.00 -0.24 0.52 -1.08 0.00 0.00 178.15 178.36 2gsb n VAL 99 N -2.92 0.00 -0.46 2.19 0.31 -1.13 -5.01 118.33 111.31 2gsb n VAL 99 Ca 0.03 -1.19 -0.03 0.00 -0.01 0.00 0.00 64.34 63.14 2gsb n VAL 99 Cb 0.45 0.32 0.01 0.00 -0.91 0.00 0.00 33.84 33.70 2gsb n VAL 99 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2gsb n GLU 100 N -0.56 1.16 0.00 5.55 0.28 -1.26 -4.01 120.64 121.80 2gsb n GLU 100 Ca -0.07 -0.32 0.00 0.00 -0.16 0.00 0.00 57.16 56.60 2gsb n GLU 100 Cb 0.31 -1.13 0.00 0.00 1.43 0.00 0.00 31.44 32.06 2gsb n GLU 100 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2gsb n GLY 101 N 1.18 0.16 3.32 -1.84 0.00 -1.26 -5.16 105.19 101.58 2gsb n GLY 101 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2gsb n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gsb s TYR 102 N -0.24 -0.48 0.32 1.61 1.51 -1.26 -5.12 117.35 113.70 2gsb s TYR 102 Ca 0.00 1.15 0.10 0.00 -1.01 0.00 0.00 57.07 57.31 2gsb s TYR 102 Cb 0.00 0.17 -0.05 0.00 -0.11 0.00 0.00 41.96 41.96 2gsb s TYR 102 CO 0.00 -0.23 -0.06 0.71 -1.11 0.00 0.00 175.55 174.86 2gsb s TYR 103 N 0.30 2.49 -0.70 2.71 1.51 -1.26 -2.45 117.35 119.94 2gsb s TYR 103 Ca -0.01 -0.39 -0.22 0.00 -1.01 0.00 0.00 57.07 55.44 2gsb s TYR 103 Cb -0.03 -1.31 0.08 0.00 -0.11 0.00 0.00 41.96 40.58 2gsb s TYR 103 CO -0.00 0.57 1.01 -0.51 -1.11 0.00 0.00 175.55 175.51 2gsb s LEU 104 N -3.64 4.41 0.00 -1.29 1.43 -1.26 -4.82 118.68 113.51 2gsb s LEU 104 Ca 0.33 -1.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 2gsb s LEU 104 Cb -0.02 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.78 2gsb s LEU 104 CO 0.18 -1.41 0.27 0.29 0.23 0.00 0.00 176.35 175.90 2gsb n LYS 105 N 7.65 0.00 -3.75 1.70 4.76 -1.22 -4.65 118.16 122.65 2gsb n LYS 105 Ca 0.01 0.42 -0.12 0.00 -2.87 0.00 0.00 58.31 55.74 2gsb n LYS 105 Cb 0.46 -1.06 -0.11 0.00 -1.84 0.00 0.00 35.03 32.48 2gsb n LYS 105 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2gsb s GLU 106 N -1.36 0.34 0.32 1.97 -1.05 -1.03 -5.06 118.70 112.82 2gsb s GLU 106 Ca 0.00 0.50 -0.29 0.00 -0.15 0.00 0.00 54.97 55.03 2gsb s GLU 106 Cb 0.00 0.10 -0.10 0.00 -0.44 0.00 0.00 34.13 33.69 2gsb s GLU 106 CO 0.00 -0.08 1.22 -1.25 0.95 0.00 0.00 175.26 176.10 2gsb s PRO 107 N 0.51 4.43 0.22 -4.83 0.04 -1.26 -3.92 135.00 130.19 2gsb s PRO 107 Ca -0.03 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 2gsb s PRO 107 Cb -0.04 -3.08 -0.10 0.00 0.04 0.00 0.00 34.50 31.32 2gsb s PRO 107 CO -0.03 -0.06 1.42 0.54 0.04 0.00 0.00 177.00 178.91 2gsb s VAL 108 N -1.17 2.84 1.06 -0.36 0.11 -1.01 -4.85 120.40 117.01 2gsb s VAL 108 Ca 0.48 0.68 -0.14 0.00 -2.93 0.00 0.00 61.98 60.07 2gsb s VAL 108 Cb -0.36 -3.43 0.22 0.00 -1.53 0.00 0.00 36.38 31.27 2gsb s VAL 108 CO 0.48 0.10 1.10 -2.16 -3.33 0.00 0.00 175.10 171.28 2gsb s PRO 109 N -0.02 -0.06 0.43 1.54 0.04 -1.26 -4.65 135.00 131.02 2gsb s PRO 109 Ca 0.60 0.35 0.07 0.00 0.04 0.00 0.00 61.00 62.06 2gsb s PRO 109 Cb -0.40 -1.69 0.07 0.00 0.04 0.00 0.00 34.50 32.51 2gsb s PRO 109 CO 0.40 -3.02 0.55 -1.33 0.04 0.00 0.00 177.00 173.63 2gsb n MET 110 N -4.35 0.74 -3.74 4.56 2.81 -1.26 -4.92 117.12 110.96 2gsb n MET 110 Ca 0.07 -2.36 -0.29 0.00 -1.81 0.00 0.00 57.70 53.32 2gsb n MET 110 Cb 0.58 -0.10 -0.12 0.00 -0.71 0.00 0.00 33.22 32.86 2gsb n MET 110 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2gsb s GLN 111 N -3.90 1.70 0.06 0.03 -1.52 -1.26 -5.10 119.66 109.67 2gsb s GLN 111 Ca 0.42 -2.57 -0.34 0.00 -1.95 0.00 0.00 55.36 50.91 2gsb s GLN 111 Cb -0.03 -2.63 -0.18 0.00 -0.22 0.00 0.00 33.01 29.94 2gsb s GLN 111 CO 0.26 -1.25 0.84 -3.47 -0.25 0.00 0.00 175.29 171.43 2gsb n ASP 112 N 2.79 -0.40 -0.01 5.90 -0.08 -1.26 -4.91 116.55 118.57 2gsb n ASP 112 Ca 0.17 1.09 -0.02 0.00 -1.51 0.00 0.00 54.79 54.52 2gsb n ASP 112 Cb 0.37 -0.88 -0.01 0.00 2.34 0.00 0.00 41.12 42.94 2gsb n ASP 112 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2gsb n GLN 113 N 1.27 0.09 -2.32 -0.67 6.02 -1.26 -4.98 117.38 115.52 2gsb n GLN 113 Ca 0.18 0.04 -0.15 0.00 -0.01 0.00 0.00 57.00 57.06 2gsb n GLN 113 Cb 0.13 -0.53 -0.01 0.00 1.02 0.00 0.00 30.24 30.85 2gsb n GLN 113 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2gsb n SER 114 N -2.92 -4.44 -3.57 1.08 2.88 -1.26 -4.90 113.62 100.49 2gsb n SER 114 Ca -0.02 0.16 0.01 0.00 -1.33 0.00 0.00 58.87 57.68 2gsb n SER 114 Cb 0.09 -3.77 -0.06 0.00 -0.75 0.00 0.00 64.21 59.72 2gsb n SER 114 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2gsb s GLY 115 N -2.06 0.25 0.01 0.46 0.00 -1.26 -5.14 107.32 99.58 2gsb s GLY 115 Ca 0.00 3.45 -0.30 0.00 0.00 0.00 0.00 44.72 47.87 2gsb s GLY 115 CO 0.00 2.82 1.44 2.56 0.00 0.00 0.00 173.10 179.92 2gsb s PRO 116 N 1.43 4.27 -0.45 2.90 0.04 -1.26 -4.99 135.00 136.94 2gsb s PRO 116 Ca -0.07 2.02 -0.17 0.00 0.04 0.00 0.00 61.00 62.82 2gsb s PRO 116 Cb -0.03 -3.57 0.04 0.00 0.04 0.00 0.00 34.50 30.98 2gsb s PRO 116 CO -0.13 -0.59 0.44 -1.12 0.04 0.00 0.00 177.00 175.63 2gsb s SER 117 N 1.93 6.17 0.69 6.66 0.01 -1.26 -5.06 113.70 122.84 2gsb s SER 117 Ca 0.65 -0.90 -0.14 0.00 1.31 0.00 0.00 55.95 56.87 2gsb s SER 117 Cb -0.33 -2.21 0.02 0.00 0.21 0.00 0.00 66.02 63.70 2gsb s SER 117 CO 0.27 -0.63 1.13 -0.94 0.41 0.00 0.00 173.24 173.48 2gsb s SER 118 N 2.11 4.84 0.00 2.44 1.04 -1.26 -5.31 113.70 117.56 2gsb s SER 118 Ca 0.10 2.05 0.00 0.00 0.48 0.00 0.00 55.95 58.58 2gsb s SER 118 Cb -0.19 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.37 2gsb s SER 118 CO 0.11 -1.81 0.00 0.61 0.98 0.00 0.00 173.24 173.13