#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 -1.14 -4.38 1.61 7.64 -1.26 -4.90 113.62 111.20 2gsb n SER 2 Ca 0.00 -1.15 -0.28 0.00 1.01 0.00 0.00 58.87 58.46 2gsb n SER 2 Cb 0.00 -1.46 -0.13 0.00 -1.01 0.00 0.00 64.21 61.61 2gsb n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2gsb s SER 3 N -3.31 3.19 1.86 6.43 0.01 -1.26 -5.03 113.70 115.58 2gsb s SER 3 Ca 0.61 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2gsb s SER 3 Cb -0.35 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.67 2gsb s SER 3 CO 0.94 0.14 0.00 0.61 0.41 0.00 0.00 173.24 175.34 2gsb n GLY 4 N 0.82 3.76 3.29 3.44 0.00 -1.26 -4.73 105.19 110.51 2gsb n GLY 4 Ca -0.17 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 2gsb n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2gsb n SER 5 N 5.87 -2.77 -2.32 1.61 7.64 -1.26 -4.90 113.62 117.48 2gsb n SER 5 Ca 0.00 0.16 -0.32 0.00 1.01 0.00 0.00 58.87 59.73 2gsb n SER 5 Cb 0.00 -1.03 0.05 0.00 -1.01 0.00 0.00 64.21 62.22 2gsb n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2gsb n SER 6 N -0.45 6.57 -4.50 6.43 7.64 -1.26 -4.93 113.62 123.11 2gsb n SER 6 Ca 0.03 -3.78 -0.24 0.00 1.01 0.00 0.00 58.87 55.90 2gsb n SER 6 Cb 0.58 -0.75 -0.10 0.00 -1.01 0.00 0.00 64.21 62.93 2gsb n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2gsb s GLY 7 N -2.43 1.86 -0.37 0.23 0.00 -1.26 -5.11 107.32 100.24 2gsb s GLY 7 Ca 0.58 -1.85 -0.13 0.00 0.00 0.00 0.00 44.72 43.32 2gsb s GLY 7 CO -0.06 -1.93 0.24 0.50 0.00 0.00 0.00 173.10 171.85 2gsb s ARG 8 N -3.54 3.13 0.00 2.90 0.52 -1.26 -4.98 118.95 115.71 2gsb s ARG 8 Ca 0.30 -0.89 -0.30 0.00 -0.52 0.00 0.00 55.73 54.32 2gsb s ARG 8 Cb -0.05 -3.81 -0.05 0.00 0.52 0.00 0.00 34.95 31.56 2gsb s ARG 8 CO 0.16 -0.61 1.33 -1.21 0.02 0.00 0.00 175.30 174.99 2gsb s GLU 9 N 1.65 4.32 -0.28 3.54 2.02 -1.26 -5.01 118.70 123.68 2gsb s GLU 9 Ca 0.04 1.88 -0.07 0.00 0.02 0.00 0.00 54.97 56.85 2gsb s GLU 9 Cb -0.18 -3.52 0.00 0.00 0.10 0.00 0.00 34.13 30.53 2gsb s GLU 9 CO 0.09 -0.50 0.07 -1.21 0.02 0.00 0.00 175.26 173.73 2gsb s GLU 10 N 2.12 3.18 0.12 1.61 2.02 -1.26 -5.09 118.70 121.39 2gsb s GLU 10 Ca 0.61 -0.79 0.11 0.00 0.02 0.00 0.00 54.97 54.92 2gsb s GLU 10 Cb -0.30 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 2gsb s GLU 10 CO 0.26 -0.39 -0.27 -0.51 0.02 0.00 0.00 175.26 174.37 2gsb s ASP 11 N 1.51 3.32 0.08 -0.19 1.01 -1.26 -5.05 116.67 116.08 2gsb s ASP 11 Ca 0.03 -0.73 -0.16 0.00 0.71 0.00 0.00 52.55 52.40 2gsb s ASP 11 Cb -0.17 -0.23 -0.10 0.00 1.01 0.00 0.00 42.92 43.43 2gsb s ASP 11 CO 0.02 0.19 1.40 1.55 0.21 0.00 0.00 175.17 178.54 2gsb h PRO 12 N 3.97 0.59 -0.74 8.23 0.13 -2.05 -3.13 132.00 139.01 2gsb h PRO 12 Ca -0.51 -0.31 0.10 0.00 -0.87 0.00 0.00 66.00 64.41 2gsb h PRO 12 Cb 1.17 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2gsb h PRO 12 CO 0.40 0.91 0.49 0.45 -0.23 0.00 0.00 178.00 180.01 2gsb h HIS 13 N 0.30 0.66 -4.26 1.56 3.86 -2.04 -3.43 115.15 111.82 2gsb h HIS 13 Ca 0.04 0.02 -0.51 0.00 -1.16 0.00 0.00 60.37 58.76 2gsb h HIS 13 Cb 0.79 -0.21 0.06 0.00 1.06 0.00 0.00 27.41 29.11 2gsb h HIS 13 CO 0.08 0.31 0.38 -1.21 0.86 0.00 0.00 177.93 178.34 2gsb s GLU 14 N -5.57 3.60 0.00 2.45 2.02 -1.18 -4.05 118.70 115.96 2gsb s GLU 14 Ca -0.09 0.68 0.00 0.00 0.02 0.00 0.00 54.97 55.58 2gsb s GLU 14 Cb 0.20 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 32.31 2gsb s GLU 14 CO 0.77 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.94 2gsb n GLY 15 N -2.66 3.13 3.40 -1.39 0.00 -1.26 -4.86 105.19 101.55 2gsb n GLY 15 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.76 -1.99 -0.03 1.61 4.76 -1.26 -4.96 118.16 115.54 2gsb n LYS 16 Ca 0.00 -0.55 -0.06 0.00 -2.87 0.00 0.00 58.31 54.83 2gsb n LYS 16 Cb 0.00 -1.99 -0.13 0.00 -1.84 0.00 0.00 35.03 31.07 2gsb n LYS 16 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 2gsb n ILE 17 N -4.69 1.34 0.08 -0.18 3.06 -1.26 -4.32 119.36 113.39 2gsb n ILE 17 Ca 0.03 -0.77 -0.19 0.00 -2.50 0.00 0.00 62.75 59.31 2gsb n ILE 17 Cb 0.57 -0.72 -0.15 0.00 0.54 0.00 0.00 39.64 39.88 2gsb n ILE 17 CO 0.00 0.00 0.00 4.11 -2.50 0.00 0.00 176.55 178.16 2gsb h TRP 18 N 0.00 0.59 -2.44 9.51 5.08 -1.91 -3.40 115.95 123.38 2gsb h TRP 18 Ca -0.32 -0.43 -0.53 0.00 1.08 0.00 0.00 58.89 58.68 2gsb h TRP 18 Cb 1.92 -0.02 0.01 0.00 -3.00 0.00 0.00 29.16 28.07 2gsb h TRP 18 CO 0.00 1.49 1.19 0.12 -1.28 0.00 0.00 178.44 179.95 2gsb s PHE 19 N -2.61 1.51 -0.48 0.12 5.36 -1.26 -2.78 117.98 117.83 2gsb s PHE 19 Ca -0.11 -0.27 0.04 0.00 -0.96 0.00 0.00 56.93 55.62 2gsb s PHE 19 Cb 0.06 -4.16 0.12 0.00 -0.34 0.00 0.00 43.02 38.71 2gsb s PHE 19 CO 0.87 -5.11 0.22 -1.01 -1.46 0.00 0.00 175.22 168.73 2gsb s HIS 20 N 4.24 3.33 -1.19 10.12 3.76 0.84 -4.81 115.29 131.58 2gsb s HIS 20 Ca 0.84 -3.11 0.18 0.00 -0.15 0.00 0.00 55.06 52.82 2gsb s HIS 20 Cb -0.41 -2.87 -0.12 0.00 1.11 0.00 0.00 32.58 30.30 2gsb s HIS 20 CO 0.38 -0.79 0.84 0.41 -0.85 0.00 0.00 174.74 174.72 2gsb n GLY 21 N 3.39 -0.41 0.14 -2.22 0.00 -1.26 -4.30 105.19 100.53 2gsb n GLY 21 Ca 0.05 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 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 0.83 0.35 -7.49 1.61 6.56 -1.99 -3.48 116.57 112.97 2gsb h LYS 22 Ca 0.00 -0.60 -0.46 0.00 -1.06 0.00 0.00 60.65 58.54 2gsb h LYS 22 Cb 0.51 0.22 0.12 0.00 -0.57 0.00 0.00 32.23 32.51 2gsb h LYS 22 CO 0.00 1.27 0.28 0.96 -2.06 0.00 0.00 179.45 179.90 2gsb s ILE 23 N -2.58 2.10 0.14 1.86 -5.25 -1.26 -5.11 121.20 111.10 2gsb s ILE 23 Ca -0.17 -0.25 0.11 0.00 -0.99 0.00 0.00 60.65 59.35 2gsb s ILE 23 Cb 0.06 -2.85 -0.04 0.00 2.95 0.00 0.00 42.46 42.58 2gsb s ILE 23 CO 0.83 0.00 -0.26 -0.44 -1.79 0.00 0.00 174.94 173.29 2gsb s SER 24 N -4.76 3.25 0.11 4.36 0.01 -1.26 -4.97 113.70 110.44 2gsb s SER 24 Ca 0.68 -0.77 -0.20 0.00 1.31 0.00 0.00 55.95 56.97 2gsb s SER 24 Cb -0.06 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 2gsb s SER 24 CO 0.48 0.15 1.02 1.17 0.41 0.00 0.00 173.24 176.48 2gsb n LYS 25 N 0.80 -0.29 -0.33 12.44 4.81 -1.26 0.13 118.16 134.46 2gsb n LYS 25 Ca -0.17 1.00 0.06 0.00 -0.87 0.00 0.00 58.31 58.33 2gsb n LYS 25 Cb 0.54 -1.48 0.15 0.00 0.02 0.00 0.00 35.03 34.26 2gsb n LYS 25 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2gsb h GLN 26 N 0.00 0.00 0.52 1.64 1.08 -2.01 -0.65 115.11 115.68 2gsb h GLN 26 Ca 0.11 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.28 2gsb h GLN 26 Cb 0.28 -0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.71 2gsb h GLN 26 CO -0.63 0.00 -0.25 0.93 -0.95 0.00 0.00 178.83 177.94 2gsb h GLU 27 N 0.00 -0.67 -1.07 1.46 3.07 0.70 -3.01 114.58 115.06 2gsb h GLU 27 Ca 0.47 0.05 0.37 0.00 -0.50 0.00 0.00 59.36 59.74 2gsb h GLU 27 Cb 0.75 0.15 -0.10 0.00 -0.84 0.00 0.00 28.75 28.71 2gsb h GLU 27 CO -0.95 -0.36 0.70 0.00 -1.40 0.00 0.00 179.01 176.99 2gsb n ALA 28 N -2.57 1.06 0.01 3.43 0.00 -0.30 0.19 120.51 122.33 2gsb n ALA 28 Ca -0.11 0.64 -0.13 0.00 0.00 0.00 0.00 53.44 53.85 2gsb n ALA 28 Cb 0.32 -0.80 -0.09 0.00 0.00 0.00 0.00 19.45 18.88 2gsb n ALA 28 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2gsb h TYR 29 N 0.00 -0.01 0.00 0.00 0.05 -1.29 -2.29 116.97 113.43 2gsb h TYR 29 Ca 0.67 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.44 2gsb h TYR 29 Cb 2.19 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.94 2gsb h TYR 29 CO -0.00 0.30 -0.04 -0.91 -1.05 0.00 0.00 178.16 176.45 2gsb h ASN 30 N -0.32 0.00 0.39 3.88 4.21 0.20 -3.08 115.58 120.86 2gsb h ASN 30 Ca -0.00 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 2gsb h ASN 30 Cb 0.31 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 2gsb h ASN 30 CO 0.00 0.04 -0.19 -0.07 -1.29 0.00 0.00 177.43 175.93 2gsb h LEU 31 N 0.00 -0.44 -0.59 1.61 3.38 -0.75 0.80 115.31 119.32 2gsb h LEU 31 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2gsb h LEU 31 Cb 0.49 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2gsb h LEU 31 CO 0.01 -0.00 0.04 0.18 0.09 0.00 0.00 178.44 178.76 2gsb n LEU 32 N -5.13 0.23 -0.08 1.67 4.77 -0.88 -0.09 117.00 117.49 2gsb n LEU 32 Ca -0.07 0.58 -0.06 0.00 -0.03 0.00 0.00 56.01 56.42 2gsb n LEU 32 Cb 0.24 -0.60 -0.16 0.00 -2.33 0.00 0.00 43.42 40.57 2gsb n LEU 32 CO 0.19 -0.66 -1.08 0.23 -1.33 0.00 0.00 177.39 174.75 2gsb n MET 33 N -1.80 0.72 0.00 3.23 2.81 -1.17 -3.37 117.12 117.55 2gsb n MET 33 Ca -0.01 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 2gsb n MET 33 Cb 0.06 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 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 -2.65 0.00 -0.03 2.03 -2.24 0.27 -4.79 114.28 106.86 2gsb n THR 34 Ca -0.27 0.37 -0.14 0.00 -2.27 0.00 0.00 64.05 61.73 2gsb n THR 34 Cb 1.04 -1.35 -0.09 0.00 -2.10 0.00 0.00 70.33 67.82 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 1.44 -4.55 2.28 -1.51 -0.94 -3.46 116.25 109.51 2gsb h VAL 35 Ca 0.00 -1.56 -0.47 0.00 -1.23 0.00 0.00 66.70 63.44 2gsb h VAL 35 Cb 0.00 2.31 0.10 0.00 -2.13 0.00 0.00 31.29 31.57 2gsb h VAL 35 CO 0.00 0.43 0.40 -0.83 -1.23 0.00 0.00 177.57 176.34 2gsb s GLY 36 N -3.60 1.60 0.33 5.19 0.00 0.88 -4.94 107.32 106.77 2gsb s GLY 36 Ca -0.15 -0.66 -0.14 0.00 0.00 0.00 0.00 44.72 43.76 2gsb s GLY 36 CO 0.74 -0.18 0.66 1.62 0.00 0.00 0.00 173.10 175.94 2gsb s GLN 37 N -5.55 1.95 0.20 2.90 0.74 -1.22 -4.05 119.66 114.63 2gsb s GLN 37 Ca 0.62 -1.35 -0.19 0.00 0.05 0.00 0.00 55.36 54.49 2gsb s GLN 37 Cb -0.11 0.56 -0.12 0.00 1.10 0.00 0.00 33.01 34.44 2gsb s GLN 37 CO 0.49 -0.88 0.26 0.28 -0.55 0.00 0.00 175.29 174.90 2gsb n VAL 38 N -0.49 1.10 -2.69 1.34 0.31 -1.26 -1.85 118.33 114.78 2gsb n VAL 38 Ca -0.04 -0.37 -0.13 0.00 -0.01 0.00 0.00 64.34 63.79 2gsb n VAL 38 Cb 0.60 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.55 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 -2.84 2.47 0.08 0.00 1.04 -0.77 -2.79 113.70 110.88 2gsb s SER 40 Ca 0.17 -0.47 -0.00 0.00 0.48 0.00 0.00 55.95 56.13 2gsb s SER 40 Cb -0.08 -0.23 -0.04 0.00 0.10 0.00 0.00 66.02 65.77 2gsb s SER 40 CO 0.21 0.20 -0.02 0.72 0.98 0.00 0.00 173.24 175.33 2gsb s PHE 41 N -0.68 0.67 -0.09 5.02 -0.12 -1.25 -0.54 117.98 120.98 2gsb s PHE 41 Ca 0.08 -1.07 -0.30 0.00 -0.05 0.00 0.00 56.93 55.59 2gsb s PHE 41 Cb -0.08 -0.44 0.10 0.00 -0.63 0.00 0.00 43.02 41.97 2gsb s PHE 41 CO 0.01 -0.35 0.85 -0.48 -0.05 0.00 0.00 175.22 175.20 2gsb s LEU 42 N -2.97 -0.49 0.11 -1.99 0.05 -0.93 -2.30 118.68 110.16 2gsb s LEU 42 Ca 0.11 0.48 0.10 0.00 0.05 0.00 0.00 54.13 54.87 2gsb s LEU 42 Cb 0.07 2.16 -0.04 0.00 -2.05 0.00 0.00 46.19 46.34 2gsb s LEU 42 CO -0.07 -0.49 -0.25 -0.69 -0.55 0.00 0.00 176.35 174.30 2gsb s VAL 43 N -1.40 2.38 -0.11 1.48 1.01 -1.12 0.12 120.40 122.76 2gsb s VAL 43 Ca -0.05 -1.63 -0.15 0.00 0.00 0.00 0.00 61.98 60.15 2gsb s VAL 43 Cb -0.00 -2.04 0.04 0.00 0.00 0.00 0.00 36.38 34.37 2gsb s VAL 43 CO 0.03 0.14 0.39 0.00 0.00 0.00 0.00 175.10 175.66 2gsb s ARG 44 N -1.93 0.53 0.05 2.72 1.70 -1.22 -0.11 118.95 120.70 2gsb s ARG 44 Ca 0.14 0.36 -0.31 0.00 -0.47 0.00 0.00 55.73 55.46 2gsb s ARG 44 Cb -0.10 0.25 -0.07 0.00 -0.57 0.00 0.00 34.95 34.46 2gsb s ARG 44 CO 0.06 -0.10 1.41 -1.25 -1.08 0.00 0.00 175.30 174.34 2gsb s PRO 45 N -0.21 4.30 -0.49 3.89 0.04 -1.26 -3.06 135.00 138.21 2gsb s PRO 45 Ca -0.04 2.03 -0.28 0.00 0.04 0.00 0.00 61.00 62.75 2gsb s PRO 45 Cb -0.03 -3.43 -0.09 0.00 0.04 0.00 0.00 34.50 30.99 2gsb s PRO 45 CO 0.02 -0.52 2.40 0.45 0.04 0.00 0.00 177.00 179.39 2gsb n SER 46 N 4.74 2.25 -0.21 6.66 2.88 -1.15 -4.84 113.62 123.96 2gsb n SER 46 Ca 0.12 -0.25 -0.12 0.00 -1.33 0.00 0.00 58.87 57.29 2gsb n SER 46 Cb 0.43 -1.49 -0.09 0.00 -0.75 0.00 0.00 64.21 62.31 2gsb n SER 46 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2gsb h ASP 47 N 17.52 -1.88 -0.46 -3.46 1.82 -1.93 -0.46 116.42 127.56 2gsb h ASP 47 Ca -0.25 0.26 0.05 0.00 -0.39 0.00 0.00 57.03 56.70 2gsb h ASP 47 Cb 1.27 0.80 -0.05 0.00 0.68 0.00 0.00 39.33 42.03 2gsb h ASP 47 CO 1.14 -0.36 0.20 0.78 -1.61 0.00 0.00 179.24 179.39 2gsb h ASN 48 N -0.28 0.26 -3.78 2.28 4.21 -2.02 -3.33 115.58 112.91 2gsb h ASN 48 Ca 0.11 0.04 -0.75 0.00 1.21 0.00 0.00 56.30 56.91 2gsb h ASN 48 Cb 0.55 -0.00 -0.29 0.00 -1.12 0.00 0.00 38.32 37.46 2gsb h ASN 48 CO -0.69 0.18 -0.13 -0.89 -1.29 0.00 0.00 177.43 174.61 2gsb s THR 49 N -6.14 4.83 -0.84 2.81 2.01 -0.20 -5.02 115.64 113.10 2gsb s THR 49 Ca -0.13 -2.44 -0.25 0.00 0.31 0.00 0.00 61.69 59.18 2gsb s THR 49 Cb 0.13 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 2gsb s THR 49 CO 0.73 -0.94 1.93 -2.16 -0.69 0.00 0.00 174.62 173.49 2gsb s PRO 50 N 0.38 2.57 0.00 4.92 0.04 -1.11 -2.77 135.00 139.02 2gsb s PRO 50 Ca 0.15 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.09 2gsb s PRO 50 Cb -0.17 -4.92 0.00 0.00 0.04 0.00 0.00 34.50 29.45 2gsb s PRO 50 CO -0.05 -3.24 0.00 0.41 0.04 0.00 0.00 177.00 174.16 2gsb n GLY 51 N 6.61 0.87 3.97 0.56 0.00 -1.26 -5.09 105.19 110.85 2gsb n GLY 51 Ca 0.36 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 3.97 -0.02 1.61 1.11 -1.12 -4.82 116.67 117.40 2gsb s ASP 52 Ca 0.00 -0.17 -0.14 0.00 0.18 0.00 0.00 52.55 52.42 2gsb s ASP 52 Cb 0.00 -0.10 0.02 0.00 1.07 0.00 0.00 42.92 43.91 2gsb s ASP 52 CO 0.00 -2.13 0.30 -0.31 1.18 0.00 0.00 175.17 174.20 2gsb s TYR 53 N -3.37 -0.17 -0.04 4.23 2.02 -1.15 -2.91 117.35 115.95 2gsb s TYR 53 Ca 0.69 0.27 -0.02 0.00 -0.37 0.00 0.00 57.07 57.64 2gsb s TYR 53 Cb -0.05 0.09 0.03 0.00 -0.40 0.00 0.00 41.96 41.63 2gsb s TYR 53 CO 0.47 -0.37 0.07 -1.12 -1.57 0.00 0.00 175.55 173.03 2gsb s SER 54 N -1.22 0.77 0.54 2.29 0.01 -1.17 -1.50 113.70 113.41 2gsb s SER 54 Ca -0.13 0.11 -0.17 0.00 1.31 0.00 0.00 55.95 57.07 2gsb s SER 54 Cb -0.05 -0.06 -0.06 0.00 0.21 0.00 0.00 66.02 66.05 2gsb s SER 54 CO 0.04 -0.21 1.03 -0.22 0.41 0.00 0.00 173.24 174.28 2gsb s LEU 55 N 1.86 3.62 -0.35 2.44 2.96 -1.25 -3.39 118.68 124.58 2gsb s LEU 55 Ca 0.01 1.75 -0.00 0.00 -0.22 0.00 0.00 54.13 55.66 2gsb s LEU 55 Cb -0.12 -4.53 0.12 0.00 0.50 0.00 0.00 46.19 42.15 2gsb s LEU 55 CO -0.03 -0.88 0.16 -0.31 -1.32 0.00 0.00 176.35 173.96 2gsb s TYR 56 N -2.41 1.39 0.01 5.38 2.02 0.12 -2.14 117.35 121.71 2gsb s TYR 56 Ca 0.63 -1.75 -0.08 0.00 -0.37 0.00 0.00 57.07 55.49 2gsb s TYR 56 Cb -0.14 -1.49 -0.05 0.00 -0.40 0.00 0.00 41.96 39.88 2gsb s TYR 56 CO 0.31 -0.84 0.30 0.12 -1.57 0.00 0.00 175.55 173.87 2gsb s PHE 57 N 1.29 3.60 -0.13 2.71 5.36 -1.22 -2.19 117.98 127.39 2gsb s PHE 57 Ca 0.13 0.66 -0.02 0.00 -0.96 0.00 0.00 56.93 56.74 2gsb s PHE 57 Cb -0.20 -2.05 -0.03 0.00 -0.34 0.00 0.00 43.02 40.40 2gsb s PHE 57 CO -0.16 0.61 -0.06 0.50 -1.46 0.00 0.00 175.22 174.65 2gsb s ARG 58 N -1.63 3.45 0.19 10.12 6.06 0.30 -0.24 118.95 137.21 2gsb s ARG 58 Ca 0.27 -0.55 0.02 0.00 -2.50 0.00 0.00 55.73 52.97 2gsb s ARG 58 Cb -0.14 -2.80 -0.05 0.00 0.06 0.00 0.00 34.95 32.02 2gsb s ARG 58 CO 0.15 0.32 0.01 0.95 -2.50 0.00 0.00 175.30 174.23 2gsb s THR 59 N 0.13 0.74 0.31 4.11 -4.23 -1.12 -2.68 115.64 112.91 2gsb s THR 59 Ca -0.02 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.57 2gsb s THR 59 Cb -0.14 -2.22 0.31 0.00 1.34 0.00 0.00 72.50 71.78 2gsb s THR 59 CO 0.03 -0.39 1.73 0.78 -0.54 0.00 0.00 174.62 176.23 2gsb h ASN 60 N 2.61 0.63 0.43 3.99 2.35 -1.99 -2.47 115.58 121.13 2gsb h ASN 60 Ca -0.37 0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.49 2gsb h ASN 60 Cb 1.21 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.63 2gsb h ASN 60 CO 0.63 0.11 -0.21 -0.33 -1.65 0.00 0.00 177.43 175.97 2gsb h GLU 61 N 0.57 -0.56 -1.72 0.81 5.08 -2.02 -3.49 114.58 113.25 2gsb h GLU 61 Ca 0.62 0.04 0.31 0.00 -1.00 0.00 0.00 59.36 59.33 2gsb h GLU 61 Cb 1.16 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 30.44 2gsb h GLU 61 CO -0.47 -0.38 0.81 0.54 -1.00 0.00 0.00 179.01 178.51 2gsb s ASN 62 N -4.04 -0.05 -0.13 1.42 4.22 -0.93 -5.13 114.94 110.30 2gsb s ASN 62 Ca -0.09 -0.20 -0.29 0.00 -2.14 0.00 0.00 52.86 50.14 2gsb s ASN 62 Cb 0.01 0.20 -0.01 0.00 1.28 0.00 0.00 41.25 42.73 2gsb s ASN 62 CO 0.26 -0.38 1.10 -0.63 -2.04 0.00 0.00 177.10 175.40 2gsb s ILE 63 N -2.38 4.56 0.72 0.54 1.01 -1.26 -2.79 121.20 121.60 2gsb s ILE 63 Ca 0.18 1.86 -0.01 0.00 0.00 0.00 0.00 60.65 62.68 2gsb s ILE 63 Cb 0.03 -4.20 0.14 0.00 0.01 0.00 0.00 42.46 38.44 2gsb s ILE 63 CO -0.02 -0.06 0.99 0.00 0.00 0.00 0.00 174.94 175.85 2gsb n GLN 64 N 5.56 -0.15 -3.69 2.79 6.02 0.66 -4.95 117.38 123.62 2gsb n GLN 64 Ca 0.11 -2.62 -0.11 0.00 -0.01 0.00 0.00 57.00 54.37 2gsb n GLN 64 Cb 0.47 -0.68 -0.11 0.00 1.02 0.00 0.00 30.24 30.94 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 -5.07 0.32 0.53 -1.09 3.52 -1.26 -3.43 118.95 112.46 2gsb s ARG 65 Ca 0.65 0.80 0.08 0.00 -0.13 0.00 0.00 55.73 57.12 2gsb s ARG 65 Cb -0.04 0.03 0.05 0.00 -1.56 0.00 0.00 34.95 33.44 2gsb s ARG 65 CO 0.43 -0.19 0.59 -0.06 -0.81 0.00 0.00 175.30 175.26 2gsb s PHE 66 N 1.74 1.81 -0.06 5.12 0.40 -0.91 -4.97 117.98 121.11 2gsb s PHE 66 Ca -0.07 -0.69 0.03 0.00 -0.60 0.00 0.00 56.93 55.60 2gsb s PHE 66 Cb -0.10 -2.13 0.01 0.00 0.51 0.00 0.00 43.02 41.31 2gsb s PHE 66 CO -0.12 -0.72 -0.15 -1.59 0.70 0.00 0.00 175.22 173.35 2gsb s LYS 67 N -4.44 1.80 -0.16 0.44 -2.85 -1.26 -3.74 119.74 109.53 2gsb s LYS 67 Ca 0.50 -0.52 -0.01 0.00 -1.00 0.00 0.00 55.97 54.95 2gsb s LYS 67 Cb -0.05 -1.50 0.04 0.00 -2.06 0.00 0.00 37.83 34.26 2gsb s LYS 67 CO 0.31 0.13 -0.04 0.42 0.10 0.00 0.00 175.35 176.27 2gsb s ILE 68 N 0.37 1.00 -0.11 3.79 1.01 -0.56 -3.52 121.20 123.18 2gsb s ILE 68 Ca -0.10 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 2gsb s ILE 68 Cb -0.14 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 2gsb s ILE 68 CO 0.03 0.12 -0.09 0.00 0.00 0.00 0.00 174.94 175.01 2gsb s PRO 70 N -0.08 4.07 0.03 0.00 0.04 -1.26 -0.95 135.00 136.85 2gsb s PRO 70 Ca -0.00 1.90 0.08 0.00 0.04 0.00 0.00 61.00 63.01 2gsb s PRO 70 Cb -0.13 -2.72 -0.02 0.00 0.04 0.00 0.00 34.50 31.66 2gsb s PRO 70 CO 0.03 -0.32 -0.22 0.95 0.04 0.00 0.00 177.00 177.48 2gsb s THR 71 N -1.37 1.79 -1.21 1.26 -4.23 -0.69 -4.87 115.64 106.31 2gsb s THR 71 Ca 0.56 -1.19 0.14 0.00 -1.18 0.00 0.00 61.69 60.03 2gsb s THR 71 Cb -0.32 -1.53 0.19 0.00 1.34 0.00 0.00 72.50 72.17 2gsb s THR 71 CO 0.41 0.30 1.43 -0.81 -0.54 0.00 0.00 174.62 175.41 2gsb n PRO 72 N 1.97 0.10 -0.09 3.99 -0.04 -1.26 -2.71 135.00 136.97 2gsb n PRO 72 Ca -0.17 0.20 0.01 0.00 -0.04 0.00 0.00 63.50 63.51 2gsb n PRO 72 Cb 0.53 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.39 1.22 -1.85 3.54 3.02 -1.26 -4.82 115.26 113.71 2gsb n ASN 73 Ca 0.05 -2.08 -0.14 0.00 -0.03 0.00 0.00 54.58 52.39 2gsb n ASN 73 Cb 0.14 -0.36 0.01 0.00 -0.61 0.00 0.00 39.78 38.97 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 -0.03 -4.35 -3.87 6.41 3.02 -1.10 -5.01 115.26 110.33 2gsb n ASN 74 Ca 0.04 -0.13 -0.15 0.00 -0.03 0.00 0.00 54.58 54.30 2gsb n ASN 74 Cb 0.27 -3.31 -0.09 0.00 -0.61 0.00 0.00 39.78 36.04 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 -5.09 1.42 -0.13 3.52 -1.52 -1.22 -4.97 119.66 111.67 2gsb s GLN 75 Ca 0.14 -1.76 0.00 0.00 -1.95 0.00 0.00 55.36 51.79 2gsb s GLN 75 Cb -0.06 0.30 0.02 0.00 -0.22 0.00 0.00 33.01 33.05 2gsb s GLN 75 CO 0.17 -0.50 -0.12 -0.06 -0.25 0.00 0.00 175.29 174.53 2gsb s PHE 76 N -3.87 1.88 0.28 0.91 0.40 -1.22 -1.70 117.98 114.65 2gsb s PHE 76 Ca 0.39 -0.99 -0.28 0.00 -0.60 0.00 0.00 56.93 55.44 2gsb s PHE 76 Cb 0.05 -1.43 -0.09 0.00 0.51 0.00 0.00 43.02 42.06 2gsb s PHE 76 CO 0.18 -0.58 0.97 -1.64 0.70 0.00 0.00 175.22 174.85 2gsb s MET 77 N 1.48 4.69 -0.14 0.44 -1.94 -0.13 -3.08 119.30 120.62 2gsb s MET 77 Ca 0.03 1.49 0.17 0.00 -1.71 0.00 0.00 55.69 55.67 2gsb s MET 77 Cb -0.13 -3.06 0.37 0.00 2.01 0.00 0.00 34.83 34.01 2gsb s MET 77 CO -0.08 0.35 1.25 -0.12 -0.01 0.00 0.00 175.02 176.41 2gsb n MET 78 N 1.04 2.02 0.00 2.03 1.56 -1.10 -1.83 117.12 120.84 2gsb n MET 78 Ca -0.00 -2.61 0.00 0.00 -0.27 0.00 0.00 57.70 54.82 2gsb n MET 78 Cb 0.48 -1.60 0.00 0.00 2.15 0.00 0.00 33.22 34.25 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 -0.99 -0.38 0.00 -5.12 0.00 -1.23 -4.62 105.19 92.85 2gsb n GLY 79 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.35 3.63 -0.02 0.00 -1.26 -5.15 105.19 102.75 2gsb n GLY 80 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 2.32 -0.02 1.61 1.81 -1.26 -5.08 118.95 118.32 2gsb s ARG 81 Ca 0.00 -0.99 -0.12 0.00 -1.72 0.00 0.00 55.73 52.89 2gsb s ARG 81 Cb 0.00 -2.38 -0.05 0.00 -0.45 0.00 0.00 34.95 32.06 2gsb s ARG 81 CO 0.00 0.50 0.34 0.71 -0.68 0.00 0.00 175.30 176.18 2gsb s TYR 82 N -1.38 3.68 -0.01 -0.53 2.02 -1.26 -2.69 117.35 117.18 2gsb s TYR 82 Ca 0.24 0.86 0.02 0.00 -0.37 0.00 0.00 57.07 57.83 2gsb s TYR 82 Cb -0.11 -2.19 -0.00 0.00 -0.40 0.00 0.00 41.96 39.26 2gsb s TYR 82 CO 0.16 0.66 -0.08 0.71 -1.57 0.00 0.00 175.55 175.43 2gsb s TYR 83 N -1.10 0.78 0.13 2.71 2.02 -1.18 -5.00 117.35 115.72 2gsb s TYR 83 Ca 0.23 -0.16 -0.19 0.00 -0.37 0.00 0.00 57.07 56.57 2gsb s TYR 83 Cb -0.15 -0.53 0.03 0.00 -0.40 0.00 0.00 41.96 40.91 2gsb s TYR 83 CO 0.12 -0.04 1.12 -1.71 -1.57 0.00 0.00 175.55 173.46 2gsb n ASN 84 N 3.04 -0.66 -3.61 2.29 5.15 -1.26 -3.42 115.26 116.79 2gsb n ASN 84 Ca -0.15 1.28 -0.05 0.00 -0.60 0.00 0.00 54.58 55.06 2gsb n ASN 84 Cb 0.56 -0.21 -0.02 0.00 -0.53 0.00 0.00 39.78 39.58 2gsb n ASN 84 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2gsb s SER 85 N -5.33 -0.23 0.22 1.20 0.01 -1.26 -4.66 113.70 103.65 2gsb s SER 85 Ca -0.09 -0.14 -0.15 0.00 1.31 0.00 0.00 55.95 56.89 2gsb s SER 85 Cb 0.10 0.35 0.25 0.00 0.21 0.00 0.00 66.02 66.92 2gsb s SER 85 CO 0.47 -0.60 1.60 0.40 0.41 0.00 0.00 173.24 175.52 2gsb h ILE 86 N 2.00 0.22 -0.96 1.44 2.04 -1.94 0.24 117.51 120.56 2gsb h ILE 86 Ca -0.22 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.81 2gsb h ILE 86 Cb 1.22 0.22 -0.10 0.00 -0.74 0.00 0.00 36.82 37.42 2gsb h ILE 86 CO 0.28 0.00 0.57 1.23 0.00 0.00 0.00 178.15 180.22 2gsb h GLY 87 N -0.05 1.65 0.65 5.37 0.00 -1.99 -2.30 103.07 106.40 2gsb h GLY 87 Ca 0.32 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2gsb h GLY 87 CO -0.75 -0.01 -0.11 -1.80 0.00 0.00 0.00 176.54 173.87 2gsb h ASP 88 N 0.77 -0.25 -1.58 0.19 1.82 -0.97 -2.99 116.42 113.41 2gsb h ASP 88 Ca 0.53 -0.23 0.51 0.00 -0.39 0.00 0.00 57.03 57.45 2gsb h ASP 88 Cb 0.75 0.06 -0.12 0.00 0.68 0.00 0.00 39.33 40.71 2gsb h ASP 88 CO -0.36 0.12 1.07 0.40 -1.61 0.00 0.00 179.24 178.86 2gsb h ILE 89 N -0.65 0.02 -0.03 2.25 2.04 -0.64 0.90 117.51 121.39 2gsb h ILE 89 Ca -0.03 -0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.74 2gsb h ILE 89 Cb 0.46 0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2gsb h ILE 89 CO 0.05 0.00 -0.32 0.40 0.00 0.00 0.00 178.15 178.28 2gsb h ILE 90 N 0.01 1.48 -0.68 -0.67 2.04 -1.38 -2.69 117.51 115.62 2gsb h ILE 90 Ca 0.90 -1.86 -0.03 0.00 1.00 0.00 0.00 64.86 64.87 2gsb h ILE 90 Cb 3.14 2.55 -0.03 0.00 -0.74 0.00 0.00 36.82 41.73 2gsb h ILE 90 CO -0.31 0.52 0.29 -0.78 0.00 0.00 0.00 178.15 177.87 2gsb h ASP 91 N -0.30 0.90 0.02 1.72 3.58 0.81 -1.65 116.42 121.50 2gsb h ASP 91 Ca -0.03 -0.12 -0.09 0.00 0.42 0.00 0.00 57.03 57.21 2gsb h ASP 91 Cb 1.02 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 2gsb h ASP 91 CO 0.07 0.79 -0.28 -0.74 -2.88 0.00 0.00 179.24 176.20 2gsb h HIS 92 N 0.97 0.45 0.00 0.28 2.76 -0.82 -2.73 115.15 116.05 2gsb h HIS 92 Ca 0.23 -0.10 -0.13 0.00 -2.20 0.00 0.00 60.37 58.18 2gsb h HIS 92 Cb 0.16 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 2gsb h HIS 92 CO 0.01 0.64 -0.60 1.88 -1.30 0.00 0.00 177.93 178.56 2gsb h TYR 93 N 0.35 0.00 -0.41 5.26 0.05 -1.06 -2.72 116.97 118.44 2gsb h TYR 93 Ca 0.05 0.00 0.12 0.00 0.05 0.00 0.00 58.73 58.95 2gsb h TYR 93 Cb 0.67 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.40 2gsb h TYR 93 CO 0.02 0.60 0.38 0.00 -1.05 0.00 0.00 178.16 178.12 2gsb h ARG 94 N 0.00 0.00 0.00 4.88 3.08 -0.99 0.41 114.38 121.76 2gsb h ARG 94 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2gsb h ARG 94 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2gsb h ARG 94 CO 0.08 0.00 -1.23 1.63 -1.07 0.00 0.00 179.97 179.38 2gsb n LYS 95 N -3.93 1.23 -4.04 0.04 4.01 -1.17 -4.82 118.16 109.49 2gsb n LYS 95 Ca 0.07 -0.07 -0.29 0.00 -0.51 0.00 0.00 58.31 57.50 2gsb n LYS 95 Cb 0.57 -1.29 -0.17 0.00 -0.51 0.00 0.00 35.03 33.63 2gsb n LYS 95 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2gsb s GLU 96 N -2.75 2.13 -0.30 1.97 0.41 0.14 -5.08 118.70 115.22 2gsb s GLU 96 Ca -0.00 -0.50 -0.37 0.00 -0.41 0.00 0.00 54.97 53.69 2gsb s GLU 96 Cb 0.10 -1.98 -0.13 0.00 -1.78 0.00 0.00 34.13 30.35 2gsb s GLU 96 CO 0.62 -0.23 2.02 1.04 -0.49 0.00 0.00 175.26 178.23 2gsb n GLN 97 N 4.75 1.21 0.24 1.61 6.02 -1.25 -4.37 117.38 125.58 2gsb n GLN 97 Ca -0.16 0.39 0.11 0.00 -0.01 0.00 0.00 57.00 57.33 2gsb n GLN 97 Cb 0.50 -2.35 0.60 0.00 1.02 0.00 0.00 30.24 30.01 2gsb n GLN 97 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 2gsb h ILE 98 N 6.35 0.58 -4.99 5.09 2.10 -1.64 -3.45 117.51 121.56 2gsb h ILE 98 Ca -0.35 -0.81 -0.43 0.00 1.08 0.00 0.00 64.86 64.35 2gsb h ILE 98 Cb 1.32 1.54 -0.06 0.00 -1.09 0.00 0.00 36.82 38.52 2gsb h ILE 98 CO 1.00 0.17 -0.26 0.52 -1.08 0.00 0.00 178.15 178.50 2gsb n VAL 99 N -3.54 0.00 0.32 2.19 0.31 -1.22 -4.98 118.33 111.41 2gsb n VAL 99 Ca -0.01 -1.57 0.15 0.00 -0.01 0.00 0.00 64.34 62.90 2gsb n VAL 99 Cb 0.33 0.08 0.78 0.00 -0.91 0.00 0.00 33.84 34.12 2gsb n VAL 99 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2gsb h GLU 100 N 0.00 0.00 0.00 5.55 4.11 -2.03 -3.32 114.58 118.89 2gsb h GLU 100 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 2gsb h GLU 100 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2gsb h GLU 100 CO 0.43 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.92 2gsb n GLY 101 N -1.25 -0.36 3.00 1.06 0.00 -1.26 -5.11 105.19 101.27 2gsb n GLY 101 Ca -0.01 0.18 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.05 0.39 1.61 1.51 -1.25 -5.08 117.35 114.47 2gsb s TYR 102 Ca 0.00 0.13 0.08 0.00 -1.01 0.00 0.00 57.07 56.27 2gsb s TYR 102 Cb 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 41.96 41.82 2gsb s TYR 102 CO 0.00 -0.10 0.27 0.71 -1.11 0.00 0.00 175.55 175.32 2gsb s TYR 103 N -0.31 2.71 -0.61 2.71 2.02 -1.26 -2.07 117.35 120.54 2gsb s TYR 103 Ca -0.04 -0.47 -0.19 0.00 -0.37 0.00 0.00 57.07 56.00 2gsb s TYR 103 Cb -0.03 -1.96 0.10 0.00 -0.40 0.00 0.00 41.96 39.67 2gsb s TYR 103 CO 0.00 0.09 0.75 -0.51 -1.57 0.00 0.00 175.55 174.31 2gsb s LEU 104 N -4.00 5.24 -0.02 -1.29 1.43 -1.26 -4.79 118.68 114.00 2gsb s LEU 104 Ca 0.43 -1.39 -0.06 0.00 -1.03 0.00 0.00 54.13 52.09 2gsb s LEU 104 Cb -0.02 -2.32 -0.03 0.00 0.03 0.00 0.00 46.19 43.85 2gsb s LEU 104 CO 0.25 -1.16 0.45 0.11 0.23 0.00 0.00 176.35 176.23 2gsb h LYS 105 N 9.23 -0.20 -2.11 1.70 1.79 -1.92 -3.46 116.57 121.60 2gsb h LYS 105 Ca -0.28 0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.14 2gsb h LYS 105 Cb 1.08 0.05 -0.21 0.00 -1.58 0.00 0.00 32.23 31.57 2gsb h LYS 105 CO 1.11 -0.13 0.10 -1.83 -1.08 0.00 0.00 179.45 177.62 2gsb s GLU 106 N -2.33 0.87 1.11 3.15 -1.05 -1.12 -5.09 118.70 114.25 2gsb s GLU 106 Ca -0.03 0.65 -0.16 0.00 -0.15 0.00 0.00 54.97 55.28 2gsb s GLU 106 Cb 0.00 0.42 0.24 0.00 -0.44 0.00 0.00 34.13 34.36 2gsb s GLU 106 CO 0.09 -0.18 1.10 -1.25 0.95 0.00 0.00 175.26 175.97 2gsb s PRO 107 N -0.25 -0.49 0.04 -4.83 0.04 -1.26 -3.86 135.00 124.39 2gsb s PRO 107 Ca -0.04 0.19 -0.26 0.00 0.04 0.00 0.00 61.00 60.93 2gsb s PRO 107 Cb -0.03 -1.66 -0.05 0.00 0.04 0.00 0.00 34.50 32.80 2gsb s PRO 107 CO 0.04 -3.28 0.81 0.08 0.04 0.00 0.00 177.00 174.69 2gsb s VAL 108 N -2.99 4.74 0.81 -0.36 1.01 -0.97 -4.80 120.40 117.83 2gsb s VAL 108 Ca 0.68 1.72 -0.11 0.00 0.00 0.00 0.00 61.98 64.27 2gsb s VAL 108 Cb -0.14 -4.16 0.08 0.00 0.00 0.00 0.00 36.38 32.16 2gsb s VAL 108 CO 0.57 0.33 1.09 -2.16 0.00 0.00 0.00 175.10 174.93 2gsb s PRO 109 N 0.12 1.99 0.91 2.72 0.04 -1.26 -4.22 135.00 135.29 2gsb s PRO 109 Ca 0.41 1.08 -0.15 0.00 0.04 0.00 0.00 61.00 62.38 2gsb s PRO 109 Cb -0.21 -1.87 0.21 0.00 0.04 0.00 0.00 34.50 32.67 2gsb s PRO 109 CO 0.24 -1.81 1.23 -1.33 0.04 0.00 0.00 177.00 175.38 2gsb n MET 110 N -3.62 -1.16 -2.77 4.56 2.81 -1.26 -5.01 117.12 110.67 2gsb n MET 110 Ca 0.09 -1.97 -0.22 0.00 -1.81 0.00 0.00 57.70 53.79 2gsb n MET 110 Cb 0.54 -1.25 -0.01 0.00 -0.71 0.00 0.00 33.22 31.78 2gsb n MET 110 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2gsb n GLN 111 N -3.60 2.58 -1.33 0.03 1.13 -1.26 -5.07 117.38 109.86 2gsb n GLN 111 Ca 0.16 -4.22 -0.55 0.00 -1.94 0.00 0.00 57.00 50.44 2gsb n GLN 111 Cb 0.54 -1.98 -0.10 0.00 0.11 0.00 0.00 30.24 28.81 2gsb n GLN 111 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2gsb n ASP 112 N -0.21 1.22 -4.79 1.08 2.03 -1.26 -4.89 116.55 109.73 2gsb n ASP 112 Ca 0.29 0.55 -0.39 0.00 0.52 0.00 0.00 54.79 55.76 2gsb n ASP 112 Cb 0.61 -1.03 -0.06 0.00 -0.72 0.00 0.00 41.12 39.91 2gsb n ASP 112 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2gsb s GLN 113 N 6.26 4.32 -0.30 -0.67 0.74 -1.26 -5.06 119.66 123.70 2gsb s GLN 113 Ca 1.17 0.84 -0.14 0.00 0.05 0.00 0.00 55.36 57.27 2gsb s GLN 113 Cb -1.25 -3.28 0.14 0.00 1.10 0.00 0.00 33.01 29.72 2gsb s GLN 113 CO 0.59 0.53 0.88 0.45 -0.55 0.00 0.00 175.29 177.18 2gsb s SER 114 N -0.78 -0.73 0.00 6.67 0.15 -1.26 -5.15 113.70 112.59 2gsb s SER 114 Ca 0.31 1.05 0.00 0.00 0.70 0.00 0.00 55.95 58.02 2gsb s SER 114 Cb -0.20 1.68 0.00 0.00 -1.71 0.00 0.00 66.02 65.79 2gsb s SER 114 CO 0.20 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.10 2gsb n GLY 115 N 4.72 1.40 3.71 9.45 0.00 -1.26 -4.98 105.19 118.23 2gsb n GLY 115 Ca -0.13 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 2gsb n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gsb s PRO 116 N -4.10 4.32 -0.07 1.61 0.04 -1.26 -5.02 135.00 130.53 2gsb s PRO 116 Ca 0.00 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.02 2gsb s PRO 116 Cb 0.00 -3.33 0.02 0.00 0.04 0.00 0.00 34.50 31.24 2gsb s PRO 116 CO 0.00 -0.45 0.16 0.45 0.04 0.00 0.00 177.00 177.20 2gsb s SER 117 N 1.28 -0.16 0.05 6.66 0.15 -1.26 -5.16 113.70 115.25 2gsb s SER 117 Ca 0.64 0.33 -0.04 0.00 0.70 0.00 0.00 55.95 57.59 2gsb s SER 117 Cb -0.35 0.30 -0.05 0.00 -1.71 0.00 0.00 66.02 64.21 2gsb s SER 117 CO 0.29 -0.09 0.26 -0.94 1.20 0.00 0.00 173.24 173.97 2gsb s SER 118 N 0.44 6.44 0.00 5.45 1.04 -1.26 -5.23 113.70 120.57 2gsb s SER 118 Ca -0.03 0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.85 2gsb s SER 118 Cb -0.04 -2.04 0.00 0.00 0.10 0.00 0.00 66.02 64.04 2gsb s SER 118 CO -0.02 0.19 0.39 0.61 0.98 0.00 0.00 173.24 175.39