#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gsb n SER 2 N 0.00 0.46 -0.07 1.61 2.88 -1.26 -4.89 113.62 112.36 2gsb n SER 2 Ca 0.00 0.08 -0.04 0.00 -1.33 0.00 0.00 58.87 57.58 2gsb n SER 2 Cb 0.00 -0.19 -0.02 0.00 -0.75 0.00 0.00 64.21 63.25 2gsb n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2gsb h SER 3 N -0.22 0.00 -6.29 -3.46 0.02 -2.10 -3.48 113.55 98.02 2gsb h SER 3 Ca -0.15 -0.05 -0.46 0.00 -0.84 0.00 0.00 61.79 60.29 2gsb h SER 3 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2gsb h SER 3 CO -0.09 0.71 -0.86 0.61 -1.14 0.00 0.00 176.83 176.07 2gsb n GLY 4 N 1.66 -0.26 3.27 -3.77 0.00 -1.26 -4.97 105.19 99.87 2gsb n GLY 4 Ca -0.06 0.14 -0.33 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 -4.37 3.69 -0.74 1.61 0.15 -1.26 -5.07 113.70 107.71 2gsb s SER 5 Ca 0.00 -0.46 -0.27 0.00 0.70 0.00 0.00 55.95 55.93 2gsb s SER 5 Cb -0.00 -1.57 0.02 0.00 -1.71 0.00 0.00 66.02 62.76 2gsb s SER 5 CO 0.85 0.09 1.40 -0.55 1.20 0.00 0.00 173.24 176.23 2gsb s SER 6 N 0.77 6.02 0.00 5.45 0.15 -1.26 -4.86 113.70 119.97 2gsb s SER 6 Ca -0.06 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2gsb s SER 6 Cb -0.15 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 2gsb s SER 6 CO 0.01 -1.92 0.00 0.61 1.20 0.00 0.00 173.24 173.14 2gsb n GLY 7 N 5.57 1.96 3.20 9.45 0.00 -1.26 -5.15 105.19 118.96 2gsb n GLY 7 Ca 0.09 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 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 1.19 3.05 -0.37 1.61 0.52 -1.26 -5.09 118.95 118.60 2gsb s ARG 8 Ca 0.00 -0.85 0.04 0.00 -0.52 0.00 0.00 55.73 54.40 2gsb s ARG 8 Cb 0.00 -2.40 0.11 0.00 0.52 0.00 0.00 34.95 33.18 2gsb s ARG 8 CO 0.00 0.07 0.09 -1.21 0.02 0.00 0.00 175.30 174.26 2gsb s GLU 9 N 0.62 1.57 0.21 3.54 2.02 -1.26 -5.10 118.70 120.30 2gsb s GLU 9 Ca -0.12 -2.01 0.10 0.00 0.02 0.00 0.00 54.97 52.96 2gsb s GLU 9 Cb -0.16 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 2gsb s GLU 9 CO 0.02 -0.97 -0.10 -1.83 0.02 0.00 0.00 175.26 172.40 2gsb s GLU 10 N 0.69 2.00 0.03 1.61 1.03 -1.26 -5.14 118.70 117.66 2gsb s GLU 10 Ca 0.12 -1.38 0.06 0.00 0.03 0.00 0.00 54.97 53.80 2gsb s GLU 10 Cb -0.20 -2.08 -0.02 0.00 -0.80 0.00 0.00 34.13 31.02 2gsb s GLU 10 CO -0.07 0.41 -0.16 -0.51 -1.33 0.00 0.00 175.26 173.60 2gsb s ASP 11 N -3.05 1.92 0.07 0.83 1.01 -1.26 -5.06 116.67 111.14 2gsb s ASP 11 Ca 0.26 -0.44 -0.18 0.00 0.71 0.00 0.00 52.55 52.91 2gsb s ASP 11 Cb -0.08 -0.15 -0.12 0.00 1.01 0.00 0.00 42.92 43.58 2gsb s ASP 11 CO 0.15 0.10 1.38 1.55 0.21 0.00 0.00 175.17 178.57 2gsb h PRO 12 N 5.08 0.52 -0.44 8.23 0.13 -2.01 -3.10 132.00 140.42 2gsb h PRO 12 Ca -0.39 -0.27 0.08 0.00 -0.87 0.00 0.00 66.00 64.55 2gsb h PRO 12 Cb 1.17 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2gsb h PRO 12 CO 0.45 0.86 0.30 1.25 -0.23 0.00 0.00 178.00 180.62 2gsb h HIS 13 N 0.21 0.26 -0.11 1.56 2.76 -2.00 0.14 115.15 117.97 2gsb h HIS 13 Ca 0.03 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2gsb h HIS 13 Cb 0.76 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.63 2gsb h HIS 13 CO 0.08 0.13 0.00 0.39 -1.30 0.00 0.00 177.93 177.23 2gsb n GLU 14 N -4.46 1.72 -1.76 5.26 -0.58 -1.17 -3.63 120.64 116.01 2gsb n GLU 14 Ca 0.06 -0.59 -0.04 0.00 -0.42 0.00 0.00 57.16 56.17 2gsb n GLU 14 Cb 0.33 -1.62 0.02 0.00 -0.57 0.00 0.00 31.44 29.60 2gsb n GLU 14 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2gsb n GLY 15 N 0.15 1.20 3.75 0.62 0.00 0.48 -4.96 105.19 106.42 2gsb n GLY 15 Ca 0.05 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 2gsb n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gsb s LYS 16 N -0.07 4.71 0.30 1.61 -0.14 -1.06 -4.94 119.74 120.14 2gsb s LYS 16 Ca 0.06 1.35 0.04 0.00 -1.36 0.00 0.00 55.97 56.07 2gsb s LYS 16 Cb 0.21 -3.31 0.79 0.00 -1.68 0.00 0.00 37.83 33.84 2gsb s LYS 16 CO -0.06 0.43 1.64 0.97 -0.76 0.00 0.00 175.35 177.57 2gsb h ILE 17 N 3.53 0.29 0.03 2.17 2.10 -1.92 0.23 117.51 123.94 2gsb h ILE 17 Ca -0.45 -0.07 -0.26 0.00 1.08 0.00 0.00 64.86 65.16 2gsb h ILE 17 Cb 1.20 0.06 0.01 0.00 -1.09 0.00 0.00 36.82 37.01 2gsb h ILE 17 CO 0.69 0.04 -1.05 4.11 -1.08 0.00 0.00 178.15 180.86 2gsb h TRP 18 N 0.21 0.84 -2.59 2.19 5.08 -1.93 -3.41 115.95 116.35 2gsb h TRP 18 Ca 0.59 -0.48 -0.54 0.00 1.08 0.00 0.00 58.89 59.55 2gsb h TRP 18 Cb 1.24 -0.09 0.02 0.00 -3.00 0.00 0.00 29.16 27.32 2gsb h TRP 18 CO -0.23 1.31 1.08 0.12 -1.28 0.00 0.00 178.44 179.44 2gsb s PHE 19 N -3.21 2.06 -0.44 0.12 5.36 0.81 -2.80 117.98 119.89 2gsb s PHE 19 Ca -0.08 0.11 0.03 0.00 -0.96 0.00 0.00 56.93 56.03 2gsb s PHE 19 Cb 0.07 -4.03 0.12 0.00 -0.34 0.00 0.00 43.02 38.85 2gsb s PHE 19 CO 0.90 -4.28 0.19 -1.01 -1.46 0.00 0.00 175.22 169.56 2gsb s HIS 20 N 3.35 2.93 -0.18 10.12 3.76 -0.53 -4.42 115.29 130.33 2gsb s HIS 20 Ca 0.77 -2.85 0.13 0.00 -0.15 0.00 0.00 55.06 52.96 2gsb s HIS 20 Cb -0.39 -2.55 -0.19 0.00 1.11 0.00 0.00 32.58 30.56 2gsb s HIS 20 CO 0.34 -0.81 0.36 0.41 -0.85 0.00 0.00 174.74 174.19 2gsb n GLY 21 N 3.61 -0.50 0.11 -2.22 0.00 -1.26 -4.43 105.19 100.50 2gsb n GLY 21 Ca 0.05 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.13 0.00 1.61 1.57 -1.96 -3.47 116.57 114.19 2gsb h LYS 22 Ca 0.00 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2gsb h LYS 22 Cb 0.52 0.03 0.07 0.00 0.08 0.00 0.00 32.23 32.94 2gsb h LYS 22 CO 0.00 0.26 -0.06 0.44 -0.57 0.00 0.00 179.45 179.52 2gsb n ILE 23 N -4.84 0.00 -4.39 1.86 -5.35 -1.26 -5.03 119.36 100.35 2gsb n ILE 23 Ca -0.06 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.21 2gsb n ILE 23 Cb 0.23 -0.34 -0.10 0.00 -1.74 0.00 0.00 39.64 37.69 2gsb n ILE 23 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2gsb s SER 24 N -1.94 2.98 0.18 7.28 0.01 -1.26 -5.00 113.70 115.96 2gsb s SER 24 Ca 0.23 -0.98 -0.25 0.00 1.31 0.00 0.00 55.95 56.26 2gsb s SER 24 Cb -0.04 -0.20 0.06 0.00 0.21 0.00 0.00 66.02 66.05 2gsb s SER 24 CO 0.19 -0.06 1.56 0.50 0.41 0.00 0.00 173.24 175.84 2gsb h LYS 25 N 2.64 -0.11 -0.03 12.44 3.64 -1.97 0.14 116.57 133.32 2gsb h LYS 25 Ca -0.40 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.02 2gsb h LYS 25 Cb 1.23 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 2gsb h LYS 25 CO 0.58 -0.07 -0.34 1.96 -2.27 0.00 0.00 179.45 179.31 2gsb h GLN 26 N -0.11 -0.47 -0.66 1.90 1.08 -2.01 -1.98 115.11 112.86 2gsb h GLN 26 Ca 0.22 0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.58 2gsb h GLN 26 Cb 0.54 0.11 -0.10 0.00 -0.05 0.00 0.00 27.48 27.97 2gsb h GLN 26 CO -0.84 -0.31 0.12 0.93 -0.95 0.00 0.00 178.83 177.78 2gsb h GLU 27 N -0.48 0.23 -1.04 1.46 3.07 -1.52 0.39 114.58 116.69 2gsb h GLU 27 Ca 0.06 -0.01 0.31 0.00 -0.50 0.00 0.00 59.36 59.22 2gsb h GLU 27 Cb 0.58 -0.05 -0.14 0.00 -0.84 0.00 0.00 28.75 28.30 2gsb h GLU 27 CO -0.30 0.15 0.61 0.00 -1.40 0.00 0.00 179.01 178.08 2gsb h ALA 28 N 1.55 2.04 0.25 3.43 0.00 -0.02 0.34 119.26 126.84 2gsb h ALA 28 Ca 0.36 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 2gsb h ALA 28 Cb 0.57 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2gsb h ALA 28 CO -0.47 -0.60 -0.12 1.88 0.00 0.00 0.00 179.25 179.94 2gsb h TYR 29 N 0.35 -0.31 -0.20 0.00 0.05 -0.80 -2.36 116.97 113.71 2gsb h TYR 29 Ca 0.71 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 59.49 2gsb h TYR 29 Cb 1.67 0.10 -0.01 0.00 1.01 0.00 0.00 36.73 39.50 2gsb h TYR 29 CO -0.01 0.03 0.14 -0.97 -1.05 0.00 0.00 178.16 176.30 2gsb h ASN 30 N -0.70 0.21 0.67 3.88 -1.24 -0.88 -2.35 115.58 115.18 2gsb h ASN 30 Ca -0.03 -0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.94 2gsb h ASN 30 Cb 0.48 -0.05 0.01 0.00 0.73 0.00 0.00 38.32 39.49 2gsb h ASN 30 CO 0.06 0.15 -0.32 -0.07 -1.29 0.00 0.00 177.43 175.95 2gsb h LEU 31 N 0.24 -0.77 -0.67 0.34 3.38 -0.33 0.91 115.31 118.43 2gsb h LEU 31 Ca 0.08 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2gsb h LEU 31 Cb 0.02 0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2gsb h LEU 31 CO -0.02 -0.45 0.06 0.18 0.09 0.00 0.00 178.44 178.31 2gsb n LEU 32 N -4.98 0.26 0.01 1.67 4.77 -0.90 0.09 117.00 117.93 2gsb n LEU 32 Ca -0.11 0.58 0.11 0.00 -0.03 0.00 0.00 56.01 56.56 2gsb n LEU 32 Cb 0.36 -0.61 -0.14 0.00 -2.33 0.00 0.00 43.42 40.70 2gsb n LEU 32 CO 0.27 -0.67 -0.59 0.23 -1.33 0.00 0.00 177.39 175.30 2gsb n MET 33 N -1.84 0.60 0.00 3.23 2.81 -0.90 -4.13 117.12 116.90 2gsb n MET 33 Ca -0.01 -0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.74 2gsb n MET 33 Cb 0.08 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.03 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 -2.26 0.00 -0.08 2.03 -2.24 0.11 -4.85 114.28 106.99 2gsb n THR 34 Ca -0.03 0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.74 2gsb n THR 34 Cb 0.55 -0.98 -0.05 0.00 -2.10 0.00 0.00 70.33 67.74 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 1.31 -3.78 2.28 -1.51 -0.87 -3.44 116.25 110.24 2gsb h VAL 35 Ca 0.00 -1.30 -0.49 0.00 -1.23 0.00 0.00 66.70 63.68 2gsb h VAL 35 Cb 0.00 1.64 -0.02 0.00 -2.13 0.00 0.00 31.29 30.78 2gsb h VAL 35 CO 0.00 0.40 0.28 -0.83 -1.23 0.00 0.00 177.57 176.19 2gsb s GLY 36 N -3.49 2.78 0.38 5.19 0.00 0.39 -4.95 107.32 107.62 2gsb s GLY 36 Ca -0.13 0.43 0.02 0.00 0.00 0.00 0.00 44.72 45.04 2gsb s GLY 36 CO 0.79 0.87 0.14 -1.06 0.00 0.00 0.00 173.10 173.83 2gsb n GLN 37 N 0.72 1.01 0.07 2.90 1.13 -1.26 -3.93 117.38 118.01 2gsb n GLN 37 Ca 0.00 -2.60 0.04 0.00 -1.94 0.00 0.00 57.00 52.50 2gsb n GLN 37 Cb 0.50 0.50 0.22 0.00 0.11 0.00 0.00 30.24 31.57 2gsb n GLN 37 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2gsb n VAL 38 N -1.17 1.39 -1.78 5.09 0.31 -1.26 -0.60 118.33 120.32 2gsb n VAL 38 Ca -0.09 0.60 -0.06 0.00 -0.01 0.00 0.00 64.34 64.78 2gsb n VAL 38 Cb 0.46 -1.60 0.13 0.00 -0.91 0.00 0.00 33.84 31.92 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 -3.39 1.11 0.28 0.00 1.04 0.24 -2.82 113.70 110.15 2gsb s SER 40 Ca 0.43 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.67 2gsb s SER 40 Cb 0.39 -0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 2gsb s SER 40 CO -0.02 0.09 0.15 0.72 0.98 0.00 0.00 173.24 175.15 2gsb s PHE 41 N -0.34 1.52 -0.19 5.02 -0.71 -1.25 -3.44 117.98 118.59 2gsb s PHE 41 Ca 0.03 -1.36 -0.28 0.00 -1.04 0.00 0.00 56.93 54.28 2gsb s PHE 41 Cb -0.04 -0.80 0.09 0.00 -1.21 0.00 0.00 43.02 41.06 2gsb s PHE 41 CO -0.00 -0.53 0.84 -0.48 -1.34 0.00 0.00 175.22 173.71 2gsb s LEU 42 N -3.33 -0.58 -0.24 -1.99 0.05 -1.05 -0.62 118.68 110.92 2gsb s LEU 42 Ca 0.37 0.90 -0.11 0.00 0.05 0.00 0.00 54.13 55.34 2gsb s LEU 42 Cb 0.06 2.22 -0.05 0.00 -2.05 0.00 0.00 46.19 46.37 2gsb s LEU 42 CO 0.17 -0.34 0.20 -0.69 -0.55 0.00 0.00 176.35 175.14 2gsb s VAL 43 N -0.38 5.33 -0.01 1.48 1.01 -1.12 -1.95 120.40 124.76 2gsb s VAL 43 Ca -0.03 0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.28 2gsb s VAL 43 Cb -0.03 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 2gsb s VAL 43 CO 0.02 0.31 -0.21 -0.60 0.00 0.00 0.00 175.10 174.62 2gsb s ARG 44 N 1.24 1.69 0.18 2.72 3.52 -0.73 -1.45 118.95 126.13 2gsb s ARG 44 Ca 0.09 -0.77 -0.30 0.00 -0.13 0.00 0.00 55.73 54.62 2gsb s ARG 44 Cb -0.14 -1.65 -0.09 0.00 -1.56 0.00 0.00 34.95 31.52 2gsb s ARG 44 CO 0.06 0.45 1.31 -1.25 -0.81 0.00 0.00 175.30 175.07 2gsb s PRO 45 N -0.54 4.38 0.19 5.12 0.04 -1.26 -1.98 135.00 140.94 2gsb s PRO 45 Ca 0.08 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 62.98 2gsb s PRO 45 Cb -0.08 -3.21 -0.08 0.00 0.04 0.00 0.00 34.50 31.17 2gsb s PRO 45 CO -0.01 -0.27 0.67 -1.12 0.04 0.00 0.00 177.00 176.31 2gsb s SER 46 N 0.45 7.03 -0.16 6.66 0.01 -1.07 -4.89 113.70 121.74 2gsb s SER 46 Ca 0.58 1.35 0.00 0.00 1.31 0.00 0.00 55.95 59.18 2gsb s SER 46 Cb -0.36 -2.39 -0.23 0.00 0.21 0.00 0.00 66.02 63.25 2gsb s SER 46 CO 0.37 0.09 0.19 -0.90 0.41 0.00 0.00 173.24 173.40 2gsb n ASP 47 N 0.91 1.77 0.00 2.44 5.75 -1.26 -4.39 116.55 121.78 2gsb n ASP 47 Ca -0.04 0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 2gsb n ASP 47 Cb 0.51 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 2gsb n ASP 47 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2gsb n ASN 48 N -3.31 0.00 -4.84 -1.12 3.02 -1.26 -4.34 115.26 103.42 2gsb n ASN 48 Ca -0.35 0.58 -0.38 0.00 -0.03 0.00 0.00 54.58 54.41 2gsb n ASN 48 Cb 1.04 -0.20 -0.06 0.00 -0.61 0.00 0.00 39.78 39.95 2gsb n ASN 48 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2gsb s THR 49 N -2.00 5.15 -0.81 3.41 2.01 -1.26 -5.01 115.64 117.13 2gsb s THR 49 Ca 0.00 0.70 -0.25 0.00 0.31 0.00 0.00 61.69 62.44 2gsb s THR 49 Cb 0.00 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2gsb s THR 49 CO 0.00 0.57 1.92 -2.16 -0.69 0.00 0.00 174.62 174.26 2gsb s PRO 50 N -0.92 2.58 0.00 4.92 0.04 -1.26 -2.60 135.00 137.75 2gsb s PRO 50 Ca 0.22 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.26 2gsb s PRO 50 Cb -0.15 -4.84 0.00 0.00 0.04 0.00 0.00 34.50 29.54 2gsb s PRO 50 CO 0.11 -3.17 0.00 0.41 0.04 0.00 0.00 177.00 174.39 2gsb n GLY 51 N 6.48 1.92 3.87 0.56 0.00 -1.26 -5.14 105.19 111.63 2gsb n GLY 51 Ca 0.34 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.14 2gsb n GLY 51 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2gsb s ASP 52 N -2.00 4.93 0.11 1.61 1.47 -1.07 -4.61 116.67 117.10 2gsb s ASP 52 Ca 0.00 -0.86 -0.04 0.00 1.18 0.00 0.00 52.55 52.83 2gsb s ASP 52 Cb 0.00 -0.37 -0.03 0.00 -0.34 0.00 0.00 42.92 42.19 2gsb s ASP 52 CO 0.00 -0.75 0.10 -0.31 0.68 0.00 0.00 175.17 174.89 2gsb s TYR 53 N -2.54 0.54 -0.20 2.11 2.02 -1.11 -2.60 117.35 115.57 2gsb s TYR 53 Ca 0.46 -0.97 -0.13 0.00 -0.37 0.00 0.00 57.07 56.06 2gsb s TYR 53 Cb -0.02 -0.29 0.06 0.00 -0.40 0.00 0.00 41.96 41.30 2gsb s TYR 53 CO 0.27 -0.52 0.50 0.45 -1.57 0.00 0.00 175.55 174.67 2gsb s SER 54 N -2.96 -0.62 0.08 2.29 0.15 -0.84 -2.21 113.70 109.59 2gsb s SER 54 Ca 0.14 1.07 -0.00 0.00 0.70 0.00 0.00 55.95 57.85 2gsb s SER 54 Cb 0.06 0.97 -0.04 0.00 -1.71 0.00 0.00 66.02 65.31 2gsb s SER 54 CO -0.04 -0.20 0.24 -0.22 1.20 0.00 0.00 173.24 174.21 2gsb s LEU 55 N 1.19 4.35 0.03 3.45 0.20 -1.01 -1.77 118.68 125.12 2gsb s LEU 55 Ca -0.07 0.29 0.06 0.00 0.69 0.00 0.00 54.13 55.09 2gsb s LEU 55 Cb -0.06 -2.99 -0.02 0.00 -0.43 0.00 0.00 46.19 42.68 2gsb s LEU 55 CO -0.11 0.14 -0.17 -0.31 -0.29 0.00 0.00 176.35 175.61 2gsb s TYR 56 N -1.55 1.50 -0.06 5.38 1.51 -0.82 -1.71 117.35 121.60 2gsb s TYR 56 Ca 0.36 -0.35 -0.13 0.00 -1.01 0.00 0.00 57.07 55.94 2gsb s TYR 56 Cb -0.13 -0.90 0.03 0.00 -0.11 0.00 0.00 41.96 40.85 2gsb s TYR 56 CO 0.28 0.05 0.31 0.12 -1.11 0.00 0.00 175.55 175.19 2gsb s PHE 57 N -0.74 -0.24 -0.20 2.71 5.36 -1.25 -2.52 117.98 121.10 2gsb s PHE 57 Ca 0.05 0.48 -0.10 0.00 -0.96 0.00 0.00 56.93 56.40 2gsb s PHE 57 Cb -0.08 0.10 -0.05 0.00 -0.34 0.00 0.00 43.02 42.65 2gsb s PHE 57 CO 0.01 -0.30 0.13 0.50 -1.46 0.00 0.00 175.22 174.10 2gsb s ARG 58 N -0.75 4.17 0.35 10.12 6.06 -1.22 -1.17 118.95 136.51 2gsb s ARG 58 Ca -0.08 -0.22 0.05 0.00 -2.50 0.00 0.00 55.73 52.98 2gsb s ARG 58 Cb -0.04 -3.41 -0.07 0.00 0.06 0.00 0.00 34.95 31.49 2gsb s ARG 58 CO 0.03 0.31 0.04 0.95 -2.50 0.00 0.00 175.30 174.13 2gsb s THR 59 N 0.32 1.46 0.49 4.11 -4.23 -1.24 -4.25 115.64 112.30 2gsb s THR 59 Ca 0.08 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.77 2gsb s THR 59 Cb -0.11 -2.86 0.33 0.00 1.34 0.00 0.00 72.50 71.20 2gsb s THR 59 CO -0.02 -0.01 2.04 0.78 -0.54 0.00 0.00 174.62 176.88 2gsb h ASN 60 N 2.00 0.14 0.00 3.99 -0.26 -1.99 -3.22 115.58 116.25 2gsb h ASN 60 Ca -0.42 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.32 2gsb h ASN 60 Cb 1.24 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.47 2gsb h ASN 60 CO 0.73 0.09 -0.05 -0.33 -1.06 0.00 0.00 177.43 176.81 2gsb h GLU 61 N 0.16 0.00 -2.47 0.81 5.08 -2.02 -3.50 114.58 112.63 2gsb h GLU 61 Ca 0.18 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.64 2gsb h GLU 61 Cb 0.52 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.64 2gsb h GLU 61 CO -0.03 0.00 0.42 -0.80 -1.00 0.00 0.00 179.01 177.61 2gsb s ASN 62 N -3.76 -0.36 0.01 1.42 0.02 -1.22 -5.13 114.94 105.93 2gsb s ASN 62 Ca -0.01 -0.12 -0.30 0.00 -1.02 0.00 0.00 52.86 51.41 2gsb s ASN 62 Cb 0.00 0.47 -0.07 0.00 0.02 0.00 0.00 41.25 41.66 2gsb s ASN 62 CO 0.02 -0.79 1.75 -0.63 0.02 0.00 0.00 177.10 177.48 2gsb s ILE 63 N -3.32 3.24 0.58 0.60 1.01 -1.26 -3.60 121.20 118.45 2gsb s ILE 63 Ca 0.06 0.43 -0.06 0.00 0.00 0.00 0.00 60.65 61.08 2gsb s ILE 63 Cb -0.01 -3.27 0.12 0.00 0.01 0.00 0.00 42.46 39.31 2gsb s ILE 63 CO -0.07 -0.03 0.79 0.00 0.00 0.00 0.00 174.94 175.63 2gsb n GLN 64 N 6.80 -0.39 -3.67 2.79 6.02 -0.31 -4.93 117.38 123.68 2gsb n GLN 64 Ca 0.18 -1.60 -0.09 0.00 -0.01 0.00 0.00 57.00 55.48 2gsb n GLN 64 Cb 0.41 -0.69 -0.10 0.00 1.02 0.00 0.00 30.24 30.89 2gsb n GLN 64 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2gsb s ARG 65 N -4.59 0.39 0.15 -1.09 3.52 -1.26 -3.78 118.95 112.28 2gsb s ARG 65 Ca 0.48 0.94 0.06 0.00 -0.13 0.00 0.00 55.73 57.08 2gsb s ARG 65 Cb -0.02 0.16 -0.04 0.00 -1.56 0.00 0.00 34.95 33.49 2gsb s ARG 65 CO 0.33 -0.20 0.02 -0.06 -0.81 0.00 0.00 175.30 174.57 2gsb s PHE 66 N 1.97 2.93 -0.10 5.12 0.40 -0.69 -4.98 117.98 122.63 2gsb s PHE 66 Ca -0.06 -0.09 -0.01 0.00 -0.60 0.00 0.00 56.93 56.17 2gsb s PHE 66 Cb -0.10 -1.44 -0.03 0.00 0.51 0.00 0.00 43.02 41.96 2gsb s PHE 66 CO -0.13 0.50 -0.06 0.21 0.70 0.00 0.00 175.22 176.44 2gsb s LYS 67 N -2.77 3.11 -0.14 0.44 2.20 -1.26 -2.40 119.74 118.92 2gsb s LYS 67 Ca 0.27 -0.55 -0.00 0.00 -0.36 0.00 0.00 55.97 55.33 2gsb s LYS 67 Cb -0.10 -2.70 0.03 0.00 -1.51 0.00 0.00 37.83 33.55 2gsb s LYS 67 CO 0.19 0.48 -0.08 0.42 -0.36 0.00 0.00 175.35 176.00 2gsb s ILE 68 N -0.32 1.20 -0.04 5.43 1.01 -0.94 -4.64 121.20 122.90 2gsb s ILE 68 Ca 0.05 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 2gsb s ILE 68 Cb -0.13 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 2gsb s ILE 68 CO 0.02 0.29 0.06 0.00 0.00 0.00 0.00 174.94 175.31 2gsb s PRO 70 N -1.42 0.87 0.01 0.00 0.04 -1.26 -0.99 135.00 132.24 2gsb s PRO 70 Ca 0.19 0.68 -0.00 0.00 0.04 0.00 0.00 61.00 61.91 2gsb s PRO 70 Cb -0.12 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 2gsb s PRO 70 CO 0.09 -2.47 -0.01 0.95 0.04 0.00 0.00 177.00 175.60 2gsb s THR 71 N -2.95 0.07 -1.17 1.26 -4.23 -0.78 -4.73 115.64 103.12 2gsb s THR 71 Ca 0.64 -0.54 0.14 0.00 -1.18 0.00 0.00 61.69 60.75 2gsb s THR 71 Cb -0.18 -0.18 0.17 0.00 1.34 0.00 0.00 72.50 73.66 2gsb s THR 71 CO 0.57 -0.30 1.44 -0.81 -0.54 0.00 0.00 174.62 174.98 2gsb n PRO 72 N 2.17 0.08 -0.74 3.99 -0.04 -1.26 -2.65 135.00 136.55 2gsb n PRO 72 Ca -0.19 0.21 -0.08 0.00 -0.04 0.00 0.00 63.50 63.40 2gsb n PRO 72 Cb 0.57 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.42 3.80 -3.68 3.54 3.02 -1.26 -4.88 115.26 114.39 2gsb n ASN 73 Ca 0.05 -2.90 -0.22 0.00 -0.03 0.00 0.00 54.58 51.48 2gsb n ASN 73 Cb 0.15 -0.69 0.05 0.00 -0.61 0.00 0.00 39.78 38.67 2gsb n ASN 73 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2gsb n ASN 74 N -0.19 -2.20 -3.29 6.41 3.02 -1.08 -4.98 115.26 112.95 2gsb n ASN 74 Ca 0.32 -0.76 -0.14 0.00 -0.03 0.00 0.00 54.58 53.96 2gsb n ASN 74 Cb 1.13 -4.30 -0.04 0.00 -0.61 0.00 0.00 39.78 35.96 2gsb n ASN 74 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2gsb s GLN 75 N -5.98 1.89 -0.06 3.52 -0.21 -1.24 -4.90 119.66 112.67 2gsb s GLN 75 Ca 0.14 -1.74 0.03 0.00 0.02 0.00 0.00 55.36 53.81 2gsb s GLN 75 Cb -0.07 0.44 0.01 0.00 1.00 0.00 0.00 33.01 34.39 2gsb s GLN 75 CO 0.79 -0.78 -0.14 -0.06 -2.12 0.00 0.00 175.29 172.98 2gsb s PHE 76 N -3.11 1.56 -0.16 0.91 0.08 -1.20 -1.86 117.98 114.21 2gsb s PHE 76 Ca 0.30 -0.54 -0.13 0.00 0.12 0.00 0.00 56.93 56.67 2gsb s PHE 76 Cb -0.00 -1.11 -0.05 0.00 -0.57 0.00 0.00 43.02 41.29 2gsb s PHE 76 CO 0.20 -0.25 0.28 -1.64 -0.10 0.00 0.00 175.22 173.71 2gsb s MET 77 N 0.47 4.23 -0.17 0.44 -1.94 -0.16 -2.81 119.30 119.36 2gsb s MET 77 Ca -0.12 0.08 -0.01 0.00 -1.71 0.00 0.00 55.69 53.93 2gsb s MET 77 Cb -0.15 -3.42 -0.10 0.00 2.01 0.00 0.00 34.83 33.18 2gsb s MET 77 CO 0.04 0.26 -0.16 -0.12 -0.01 0.00 0.00 175.02 175.03 2gsb n MET 78 N 3.50 0.40 -2.84 2.03 1.56 -1.22 -1.92 117.12 118.64 2gsb n MET 78 Ca -0.12 0.11 -0.11 0.00 -0.27 0.00 0.00 57.70 57.30 2gsb n MET 78 Cb 0.52 -1.29 0.04 0.00 2.15 0.00 0.00 33.22 34.64 2gsb n MET 78 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2gsb n GLY 79 N 2.55 1.98 2.10 -5.12 0.00 -1.26 -4.72 105.19 100.73 2gsb n GLY 79 Ca -0.30 -1.01 -0.02 0.00 0.00 0.00 0.00 46.02 44.69 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 0.01 0.56 3.05 -0.02 0.00 -1.26 -5.02 105.19 102.50 2gsb n GLY 80 Ca 0.11 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.67 0.54 -0.06 1.61 0.52 -1.26 -5.14 118.95 113.50 2gsb s ARG 81 Ca 0.00 -0.61 -0.16 0.00 -0.52 0.00 0.00 55.73 54.43 2gsb s ARG 81 Cb 0.00 -0.40 -0.05 0.00 0.52 0.00 0.00 34.95 35.02 2gsb s ARG 81 CO 0.00 0.09 0.44 0.71 0.02 0.00 0.00 175.30 176.55 2gsb s TYR 82 N -1.00 3.63 0.03 -0.53 2.02 -1.26 -3.39 117.35 116.84 2gsb s TYR 82 Ca -0.06 0.94 0.05 0.00 -0.37 0.00 0.00 57.07 57.63 2gsb s TYR 82 Cb -0.08 -2.41 -0.02 0.00 -0.40 0.00 0.00 41.96 39.05 2gsb s TYR 82 CO 0.00 0.42 -0.16 0.71 -1.57 0.00 0.00 175.55 174.95 2gsb s TYR 83 N -0.27 1.40 0.13 2.71 1.51 -1.12 -5.00 117.35 116.71 2gsb s TYR 83 Ca 0.24 -0.33 -0.22 0.00 -1.01 0.00 0.00 57.07 55.75 2gsb s TYR 83 Cb -0.16 -0.85 -0.02 0.00 -0.11 0.00 0.00 41.96 40.82 2gsb s TYR 83 CO 0.12 0.03 1.20 0.09 -1.11 0.00 0.00 175.55 175.88 2gsb n ASN 84 N 2.10 -0.77 -3.57 2.29 3.02 -1.26 -3.25 115.26 113.82 2gsb n ASN 84 Ca -0.17 1.38 -0.05 0.00 -0.03 0.00 0.00 54.58 55.71 2gsb n ASN 84 Cb 0.54 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.50 2gsb n ASN 84 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2gsb s SER 85 N -5.37 -0.23 0.23 6.41 0.01 -1.26 -4.61 113.70 108.87 2gsb s SER 85 Ca -0.10 -0.06 -0.18 0.00 1.31 0.00 0.00 55.95 56.93 2gsb s SER 85 Cb 0.10 0.28 0.24 0.00 0.21 0.00 0.00 66.02 66.85 2gsb s SER 85 CO 0.49 -0.48 1.55 0.40 0.41 0.00 0.00 173.24 175.62 2gsb h ILE 86 N 2.00 0.00 -0.93 1.44 2.04 -1.92 0.66 117.51 120.79 2gsb h ILE 86 Ca -0.18 0.00 0.21 0.00 1.00 0.00 0.00 64.86 65.89 2gsb h ILE 86 Cb 1.21 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.17 2gsb h ILE 86 CO 0.27 0.00 0.49 1.23 0.00 0.00 0.00 178.15 180.14 2gsb h GLY 87 N -0.00 1.64 0.63 5.37 0.00 -1.99 -2.12 103.07 106.60 2gsb h GLY 87 Ca 0.35 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 2gsb h GLY 87 CO -0.99 -0.19 -0.18 -1.80 0.00 0.00 0.00 176.54 173.39 2gsb h ASP 88 N 0.54 -0.42 -0.89 0.19 1.82 -0.12 -3.14 116.42 114.40 2gsb h ASP 88 Ca 0.57 -0.14 0.33 0.00 -0.39 0.00 0.00 57.03 57.40 2gsb h ASP 88 Cb 1.00 0.11 -0.16 0.00 0.68 0.00 0.00 39.33 40.96 2gsb h ASP 88 CO -0.46 -0.04 0.34 -0.38 -1.61 0.00 0.00 179.24 177.09 2gsb n ILE 89 N -5.16 -0.37 0.22 2.25 5.41 -0.48 -0.78 119.36 120.44 2gsb n ILE 89 Ca -0.10 1.85 -0.09 0.00 1.00 0.00 0.00 62.75 65.41 2gsb n ILE 89 Cb 0.28 -2.90 -0.04 0.00 -0.71 0.00 0.00 39.64 36.26 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 0.00 -0.92 1.39 2.04 -1.45 -1.58 117.51 116.99 2gsb h ILE 90 Ca 0.69 -0.02 0.27 0.00 1.00 0.00 0.00 64.86 66.79 2gsb h ILE 90 Cb 1.73 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.65 2gsb h ILE 90 CO -0.73 0.00 0.25 -0.78 0.00 0.00 0.00 178.15 176.89 2gsb h ASP 91 N -0.58 -0.03 -0.90 1.72 1.82 -0.94 0.78 116.42 118.28 2gsb h ASP 91 Ca -0.06 0.22 -0.01 0.00 -0.39 0.00 0.00 57.03 56.80 2gsb h ASP 91 Cb 0.43 0.30 -0.04 0.00 0.68 0.00 0.00 39.33 40.70 2gsb h ASP 91 CO 0.09 -0.22 0.54 -0.74 -1.61 0.00 0.00 179.24 177.30 2gsb h HIS 92 N 0.16 1.20 -0.24 0.28 2.76 -1.13 -2.57 115.15 115.60 2gsb h HIS 92 Ca 0.60 -0.01 -0.18 0.00 -2.20 0.00 0.00 60.37 58.59 2gsb h HIS 92 Cb 1.29 -0.39 -0.00 0.00 1.55 0.00 0.00 27.41 29.85 2gsb h HIS 92 CO -0.27 0.80 -0.56 1.88 -1.30 0.00 0.00 177.93 178.48 2gsb h TYR 93 N 1.25 0.91 -1.23 5.26 0.05 0.15 -2.00 116.97 121.36 2gsb h TYR 93 Ca 0.32 -0.33 0.35 0.00 0.05 0.00 0.00 58.73 59.13 2gsb h TYR 93 Cb -0.04 -0.17 -0.06 0.00 1.01 0.00 0.00 36.73 37.47 2gsb h TYR 93 CO 0.01 1.11 0.87 0.00 -1.05 0.00 0.00 178.16 179.10 2gsb h ARG 94 N 0.55 0.07 0.00 4.88 3.08 -0.36 0.45 114.38 123.05 2gsb h ARG 94 Ca 0.01 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2gsb h ARG 94 Cb 1.14 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.17 2gsb h ARG 94 CO 0.12 0.04 -1.95 1.63 -1.07 0.00 0.00 179.97 178.74 2gsb n LYS 95 N -4.26 0.63 -4.02 0.04 5.02 -1.16 -4.66 118.16 109.76 2gsb n LYS 95 Ca 0.27 -0.18 -0.34 0.00 -2.02 0.00 0.00 58.31 56.05 2gsb n LYS 95 Cb 1.26 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 34.63 2gsb n LYS 95 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2gsb s GLU 96 N -3.38 3.08 -0.29 1.97 0.41 0.16 -5.07 118.70 115.59 2gsb s GLU 96 Ca -0.08 -0.79 -0.41 0.00 -0.41 0.00 0.00 54.97 53.28 2gsb s GLU 96 Cb 0.13 -2.79 -0.16 0.00 -1.78 0.00 0.00 34.13 29.53 2gsb s GLU 96 CO 0.85 -0.24 1.72 0.00 -0.49 0.00 0.00 175.26 177.10 2gsb n GLN 97 N 4.68 1.05 0.08 1.61 10.64 -1.25 -4.39 117.38 129.80 2gsb n GLN 97 Ca -0.19 0.39 -0.10 0.00 -1.83 0.00 0.00 57.00 55.26 2gsb n GLN 97 Cb 0.50 -2.05 -0.12 0.00 -0.86 0.00 0.00 30.24 27.71 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 5.16 1.63 -5.02 -0.39 2.10 -1.72 -3.47 117.51 115.80 2gsb h ILE 98 Ca -0.46 -3.25 -0.30 0.00 1.08 0.00 0.00 64.86 61.92 2gsb h ILE 98 Cb 1.32 2.86 -0.02 0.00 -1.09 0.00 0.00 36.82 39.89 2gsb h ILE 98 CO 0.96 0.94 -0.14 0.52 -1.08 0.00 0.00 178.15 179.35 2gsb n VAL 99 N -3.43 0.00 -0.17 2.19 0.31 -1.13 -4.99 118.33 111.10 2gsb n VAL 99 Ca -0.03 -1.15 -0.05 0.00 -0.01 0.00 0.00 64.34 63.09 2gsb n VAL 99 Cb 0.96 -0.29 0.02 0.00 -0.91 0.00 0.00 33.84 33.62 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 -1.23 1.26 0.00 5.55 0.28 -1.26 -4.02 120.64 121.21 2gsb n GLU 100 Ca -0.00 -0.54 0.00 0.00 -0.16 0.00 0.00 57.16 56.46 2gsb n GLU 100 Cb 0.33 -1.21 0.00 0.00 1.43 0.00 0.00 31.44 31.99 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 0.77 0.00 3.27 -1.84 0.00 -1.26 -5.17 105.19 100.96 2gsb n GLY 101 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -0.37 0.40 1.61 1.51 -1.26 -5.12 117.35 114.13 2gsb s TYR 102 Ca 0.00 0.85 0.07 0.00 -1.01 0.00 0.00 57.07 56.98 2gsb s TYR 102 Cb 0.00 0.14 -0.07 0.00 -0.11 0.00 0.00 41.96 41.92 2gsb s TYR 102 CO 0.00 -0.26 0.06 0.71 -1.11 0.00 0.00 175.55 174.95 2gsb s TYR 103 N -0.20 2.54 -0.59 2.71 2.02 -1.26 -2.55 117.35 120.03 2gsb s TYR 103 Ca -0.03 -0.62 -0.17 0.00 -0.37 0.00 0.00 57.07 55.87 2gsb s TYR 103 Cb -0.03 -1.80 0.13 0.00 -0.40 0.00 0.00 41.96 39.85 2gsb s TYR 103 CO 0.02 0.37 0.61 -0.51 -1.57 0.00 0.00 175.55 174.47 2gsb s LEU 104 N -3.77 5.91 0.00 -1.29 1.43 -1.26 -4.84 118.68 114.87 2gsb s LEU 104 Ca 0.37 -1.73 0.00 0.00 -1.03 0.00 0.00 54.13 51.74 2gsb s LEU 104 Cb 0.07 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 44.04 2gsb s LEU 104 CO 0.19 -0.94 0.30 0.29 0.23 0.00 0.00 176.35 176.42 2gsb n LYS 105 N 5.59 0.00 -3.85 1.70 4.76 -1.22 -4.58 118.16 120.55 2gsb n LYS 105 Ca -0.10 0.37 -0.12 0.00 -2.87 0.00 0.00 58.31 55.59 2gsb n LYS 105 Cb 0.42 -1.04 -0.12 0.00 -1.84 0.00 0.00 35.03 32.45 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 -1.33 0.27 0.93 1.97 -1.05 -1.13 -5.09 118.70 113.27 2gsb s GLU 106 Ca 0.00 -0.07 -0.12 0.00 -0.15 0.00 0.00 54.97 54.63 2gsb s GLU 106 Cb 0.00 0.12 0.15 0.00 -0.44 0.00 0.00 34.13 33.95 2gsb s GLU 106 CO 0.00 -0.05 1.09 -1.25 0.95 0.00 0.00 175.26 176.00 2gsb s PRO 107 N -0.51 1.01 -0.24 -4.83 0.04 -1.26 -3.78 135.00 125.42 2gsb s PRO 107 Ca -0.06 0.73 -0.29 0.00 0.04 0.00 0.00 61.00 61.42 2gsb s PRO 107 Cb -0.04 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.72 2gsb s PRO 107 CO 0.00 -2.39 1.12 0.08 0.04 0.00 0.00 177.00 175.85 2gsb s VAL 108 N -2.94 4.51 1.18 -0.36 1.01 0.21 -4.76 120.40 119.24 2gsb s VAL 108 Ca 0.64 1.80 -0.19 0.00 0.00 0.00 0.00 61.98 64.23 2gsb s VAL 108 Cb -0.18 -4.25 0.28 0.00 0.00 0.00 0.00 36.38 32.22 2gsb s VAL 108 CO 0.57 -0.26 1.11 -2.16 0.00 0.00 0.00 175.10 174.36 2gsb s PRO 109 N 3.44 -1.07 0.57 2.72 0.04 -1.26 -4.35 135.00 135.09 2gsb s PRO 109 Ca 0.48 -0.01 0.05 0.00 0.04 0.00 0.00 61.00 61.55 2gsb s PRO 109 Cb -0.16 -1.61 0.07 0.00 0.04 0.00 0.00 34.50 32.84 2gsb s PRO 109 CO 0.11 -3.62 0.79 -1.64 0.04 0.00 0.00 177.00 172.68 2gsb s MET 110 N -5.36 2.33 -0.84 4.56 -1.94 -1.26 -5.04 119.30 111.76 2gsb s MET 110 Ca 0.70 -1.20 -0.05 0.00 -1.71 0.00 0.00 55.69 53.44 2gsb s MET 110 Cb -0.11 -2.56 0.21 0.00 2.01 0.00 0.00 34.83 34.39 2gsb s MET 110 CO 0.56 -0.83 0.72 -0.65 -0.01 0.00 0.00 175.02 174.81 2gsb s GLN 111 N -4.73 3.23 -0.23 2.03 1.11 -1.26 -5.04 119.66 114.76 2gsb s GLN 111 Ca 0.60 -2.95 -0.29 0.00 0.01 0.00 0.00 55.36 52.73 2gsb s GLN 111 Cb -0.08 -4.03 -0.02 0.00 -1.01 0.00 0.00 33.01 27.87 2gsb s GLN 111 CO 0.39 -1.24 1.53 -0.51 0.01 0.00 0.00 175.29 175.47 2gsb s ASP 112 N 0.57 6.48 -0.10 5.90 1.11 -1.26 -4.87 116.67 124.50 2gsb s ASP 112 Ca 0.24 1.55 -0.12 0.00 0.18 0.00 0.00 52.55 54.39 2gsb s ASP 112 Cb -0.12 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.30 2gsb s ASP 112 CO -0.09 -1.19 -0.24 0.00 1.18 0.00 0.00 175.17 174.83 2gsb n GLN 113 N 7.52 0.37 -2.84 8.23 6.02 -1.26 -4.96 117.38 130.46 2gsb n GLN 113 Ca 0.18 0.15 -0.29 0.00 -0.01 0.00 0.00 57.00 57.02 2gsb n GLN 113 Cb 0.45 -1.15 -0.02 0.00 1.02 0.00 0.00 30.24 30.54 2gsb n GLN 113 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2gsb s SER 114 N -5.96 6.44 0.00 1.08 0.15 -1.26 -5.01 113.70 109.14 2gsb s SER 114 Ca -0.20 1.03 0.00 0.00 0.70 0.00 0.00 55.95 57.48 2gsb s SER 114 Cb 0.03 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 2gsb s SER 114 CO 0.30 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.92 2gsb n GLY 115 N -1.54 3.05 0.20 9.45 0.00 -1.26 -4.85 105.19 110.25 2gsb n GLY 115 Ca 0.01 -2.02 0.06 0.00 0.00 0.00 0.00 46.02 44.07 2gsb n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gsb h PRO 116 N 0.00 0.00 -2.48 1.61 0.13 -2.00 -3.46 132.00 125.80 2gsb h PRO 116 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.21 2gsb h PRO 116 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 2gsb h PRO 116 CO 0.00 0.33 0.41 -1.54 -0.23 0.00 0.00 178.00 176.98 2gsb s SER 117 N -6.50 -0.41 -0.14 1.44 1.04 -1.26 -5.13 113.70 102.75 2gsb s SER 117 Ca -0.01 -0.03 -0.29 0.00 0.48 0.00 0.00 55.95 56.09 2gsb s SER 117 Cb 0.12 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 2gsb s SER 117 CO 0.68 -0.74 1.43 -0.94 0.98 0.00 0.00 173.24 174.65 2gsb s SER 118 N -2.59 6.78 0.00 7.02 1.04 -1.26 -5.07 113.70 119.62 2gsb s SER 118 Ca 0.04 1.85 0.00 0.00 0.48 0.00 0.00 55.95 58.33 2gsb s SER 118 Cb -0.01 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2gsb s SER 118 CO -0.09 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.86