#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gsb s SER 2 N 0.00 4.03 0.12 1.61 0.15 -1.26 -5.08 113.70 113.27 2gsb s SER 2 Ca 0.00 -2.97 -0.19 0.00 0.70 0.00 0.00 55.95 53.49 2gsb s SER 2 Cb 0.00 -1.37 0.05 0.00 -1.71 0.00 0.00 66.02 62.99 2gsb s SER 2 CO 0.00 -0.23 0.47 -0.44 1.20 0.00 0.00 173.24 174.25 2gsb s SER 3 N -0.17 -0.36 0.00 5.45 0.01 -1.26 -5.10 113.70 112.27 2gsb s SER 3 Ca 0.19 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.31 2gsb s SER 3 Cb -0.22 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.52 2gsb s SER 3 CO -0.02 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.38 2gsb n GLY 4 N -0.13 -0.28 3.45 3.44 0.00 -1.26 -5.03 105.19 105.38 2gsb n GLY 4 Ca -0.17 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 2gsb n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gsb n SER 5 N 0.00 -1.03 -4.83 1.61 3.41 -1.26 -4.93 113.62 106.59 2gsb n SER 5 Ca 0.00 0.84 -0.33 0.00 -0.26 0.00 0.00 58.87 59.12 2gsb n SER 5 Cb 0.00 -1.13 -0.05 0.00 -0.26 0.00 0.00 64.21 62.77 2gsb n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2gsb s SER 6 N -1.02 6.73 0.00 4.04 0.01 -1.26 -4.89 113.70 117.30 2gsb s SER 6 Ca 0.65 1.67 0.00 0.00 1.31 0.00 0.00 55.95 59.58 2gsb s SER 6 Cb -0.54 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.16 2gsb s SER 6 CO 0.57 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 174.32 2gsb n GLY 7 N -0.97 -0.36 3.42 3.44 0.00 -1.26 -5.13 105.19 104.33 2gsb n GLY 7 Ca 0.07 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2gsb n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2gsb s ARG 8 N 0.00 3.13 0.03 1.61 3.52 -1.26 -5.08 118.95 120.89 2gsb s ARG 8 Ca 0.00 -0.87 0.06 0.00 -0.13 0.00 0.00 55.73 54.79 2gsb s ARG 8 Cb 0.00 -3.67 -0.03 0.00 -1.56 0.00 0.00 34.95 29.68 2gsb s ARG 8 CO 0.00 -0.55 -0.15 -1.21 -0.81 0.00 0.00 175.30 172.58 2gsb s GLU 9 N 1.60 2.21 -0.16 5.12 2.02 -1.26 -5.10 118.70 123.13 2gsb s GLU 9 Ca 0.04 -0.90 -0.27 0.00 0.02 0.00 0.00 54.97 53.86 2gsb s GLU 9 Cb -0.18 -2.27 -0.01 0.00 0.10 0.00 0.00 34.13 31.77 2gsb s GLU 9 CO 0.07 0.56 0.90 -1.83 0.02 0.00 0.00 175.26 174.98 2gsb s GLU 10 N -1.38 4.32 0.22 1.61 -1.05 -1.26 -5.05 118.70 116.12 2gsb s GLU 10 Ca 0.15 1.15 0.11 0.00 -0.15 0.00 0.00 54.97 56.23 2gsb s GLU 10 Cb -0.11 -3.57 -0.05 0.00 -0.44 0.00 0.00 34.13 29.97 2gsb s GLU 10 CO 0.05 -0.36 -0.16 -0.51 0.95 0.00 0.00 175.26 175.23 2gsb s ASP 11 N 1.15 3.82 0.02 0.83 1.01 -1.26 -5.06 116.67 117.17 2gsb s ASP 11 Ca 0.41 -0.82 -0.22 0.00 0.71 0.00 0.00 52.55 52.64 2gsb s ASP 11 Cb -0.17 -0.45 -0.16 0.00 1.01 0.00 0.00 42.92 43.15 2gsb s ASP 11 CO 0.13 0.08 1.33 1.55 0.21 0.00 0.00 175.17 178.47 2gsb h PRO 12 N 2.70 0.26 -0.97 8.23 0.13 -2.06 -3.19 132.00 137.11 2gsb h PRO 12 Ca -0.44 -0.14 0.19 0.00 -0.87 0.00 0.00 66.00 64.74 2gsb h PRO 12 Cb 1.23 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 2gsb h PRO 12 CO 0.54 0.67 0.56 0.45 -0.23 0.00 0.00 178.00 179.99 2gsb h HIS 13 N -0.13 0.97 -3.14 1.56 3.86 -2.02 -3.41 115.15 112.83 2gsb h HIS 13 Ca 0.02 0.04 -0.53 0.00 -1.16 0.00 0.00 60.37 58.74 2gsb h HIS 13 Cb 0.62 -0.28 0.03 0.00 1.06 0.00 0.00 27.41 28.84 2gsb h HIS 13 CO 0.09 0.18 0.70 -1.21 0.86 0.00 0.00 177.93 178.54 2gsb s GLU 14 N -5.87 4.34 0.00 2.45 2.02 -1.21 -3.07 118.70 117.37 2gsb s GLU 14 Ca -0.11 2.08 0.00 0.00 0.02 0.00 0.00 54.97 56.95 2gsb s GLU 14 Cb 0.25 -3.22 0.00 0.00 0.10 0.00 0.00 34.13 31.25 2gsb s GLU 14 CO 0.80 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 176.11 2gsb n GLY 15 N 3.07 1.43 3.53 -1.39 0.00 -1.26 -4.86 105.19 105.70 2gsb n GLY 15 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.08 -0.03 0.07 1.61 4.76 -1.18 -4.94 118.16 118.37 2gsb n LYS 16 Ca 0.00 0.05 -0.14 0.00 -2.87 0.00 0.00 58.31 55.35 2gsb n LYS 16 Cb 0.00 -2.06 -0.14 0.00 -1.84 0.00 0.00 35.03 31.00 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 -1.12 1.34 0.00 -0.18 2.10 -1.92 -3.31 117.51 114.42 2gsb h ILE 17 Ca -0.45 -2.98 -0.14 0.00 1.08 0.00 0.00 64.86 62.38 2gsb h ILE 17 Cb 1.30 2.81 -0.02 0.00 -1.09 0.00 0.00 36.82 39.82 2gsb h ILE 17 CO 0.40 0.84 -0.64 4.11 -1.08 0.00 0.00 178.15 181.78 2gsb h TRP 18 N 0.05 0.00 -4.25 2.19 5.08 -1.92 -3.41 115.95 113.69 2gsb h TRP 18 Ca -0.17 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.30 2gsb h TRP 18 Cb 1.96 0.00 0.08 0.00 -3.00 0.00 0.00 29.16 28.20 2gsb h TRP 18 CO 0.05 0.64 0.37 0.12 -1.28 0.00 0.00 178.44 178.34 2gsb s PHE 19 N -3.03 3.02 -0.18 0.12 5.36 -1.25 -1.28 117.98 120.75 2gsb s PHE 19 Ca 0.02 1.48 -0.09 0.00 -0.96 0.00 0.00 56.93 57.38 2gsb s PHE 19 Cb 0.09 -2.96 0.07 0.00 -0.34 0.00 0.00 43.02 39.88 2gsb s PHE 19 CO 0.76 -1.18 0.42 -1.01 -1.46 0.00 0.00 175.22 172.75 2gsb s HIS 20 N -2.68 -0.65 0.00 10.12 3.76 0.15 -4.82 115.29 121.16 2gsb s HIS 20 Ca 0.61 1.35 0.00 0.00 -0.15 0.00 0.00 55.06 56.88 2gsb s HIS 20 Cb -0.15 0.28 0.00 0.00 1.11 0.00 0.00 32.58 33.82 2gsb s HIS 20 CO 0.44 -0.38 0.00 0.41 -0.85 0.00 0.00 174.74 174.36 2gsb n GLY 21 N 4.53 0.00 0.36 -2.22 0.00 -1.26 -3.93 105.19 102.67 2gsb n GLY 21 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2gsb n GLY 21 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2gsb h LYS 22 N 0.00 1.17 0.00 1.61 2.10 -2.00 -3.43 116.57 116.02 2gsb h LYS 22 Ca 0.00 -0.07 -0.36 0.00 -2.00 0.00 0.00 60.65 58.22 2gsb h LYS 22 Cb 0.32 -0.26 0.18 0.00 -0.90 0.00 0.00 32.23 31.57 2gsb h LYS 22 CO 0.00 0.78 0.08 0.44 -2.00 0.00 0.00 179.45 178.74 2gsb n ILE 23 N -4.48 0.00 -4.48 0.07 -5.35 -1.26 -5.08 119.36 98.78 2gsb n ILE 23 Ca 0.13 -0.39 -0.24 0.00 -0.27 0.00 0.00 62.75 61.99 2gsb n ILE 23 Cb 0.11 -1.18 -0.10 0.00 -1.74 0.00 0.00 39.64 36.72 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 -4.06 3.27 0.19 7.28 0.01 -1.26 -5.01 113.70 114.12 2gsb s SER 24 Ca 0.64 -1.17 -0.19 0.00 1.31 0.00 0.00 55.95 56.54 2gsb s SER 24 Cb -0.07 -0.26 0.15 0.00 0.21 0.00 0.00 66.02 66.05 2gsb s SER 24 CO 0.50 -0.23 1.60 0.50 0.41 0.00 0.00 173.24 176.02 2gsb h LYS 25 N 2.17 -0.13 0.39 12.44 3.64 -1.97 -1.25 116.57 131.87 2gsb h LYS 25 Ca -0.41 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.97 2gsb h LYS 25 Cb 1.24 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 2gsb h LYS 25 CO 0.68 -0.09 -0.36 1.96 -2.27 0.00 0.00 179.45 179.37 2gsb h GLN 26 N -0.13 -0.72 -0.99 1.90 4.20 -2.02 -2.98 115.11 114.36 2gsb h GLN 26 Ca 0.24 0.05 0.12 0.00 0.06 0.00 0.00 58.65 59.13 2gsb h GLN 26 Cb 0.52 0.16 -0.14 0.00 0.30 0.00 0.00 27.48 28.32 2gsb h GLN 26 CO -0.64 -0.48 -0.48 0.39 -0.67 0.00 0.00 178.83 176.96 2gsb n GLU 27 N -4.59 -0.33 -0.26 1.46 4.71 -0.94 -0.28 120.64 120.42 2gsb n GLU 27 Ca -0.09 1.52 0.03 0.00 -0.01 0.00 0.00 57.16 58.61 2gsb n GLU 27 Cb 0.33 -2.24 0.08 0.00 -1.01 0.00 0.00 31.44 28.60 2gsb n GLU 27 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2gsb n ALA 28 N -3.38 0.11 -0.00 0.62 0.00 -0.52 0.12 120.51 117.46 2gsb n ALA 28 Ca 0.06 0.75 -0.09 0.00 0.00 0.00 0.00 53.44 54.17 2gsb n ALA 28 Cb 0.34 -0.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.35 -0.12 0.00 0.05 -0.66 -1.56 116.97 114.33 2gsb h TYR 29 Ca 0.31 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 59.11 2gsb h TYR 29 Cb 0.49 0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.40 2gsb h TYR 29 CO -0.56 -0.20 0.06 -0.91 -1.05 0.00 0.00 178.16 175.49 2gsb h ASN 30 N -0.17 0.15 -0.48 3.88 4.21 0.10 -2.91 115.58 120.37 2gsb h ASN 30 Ca 0.09 -0.12 0.09 0.00 1.21 0.00 0.00 56.30 57.57 2gsb h ASN 30 Cb 0.30 -0.04 -0.10 0.00 -1.12 0.00 0.00 38.32 37.36 2gsb h ASN 30 CO -0.23 0.23 -0.31 -0.07 -1.29 0.00 0.00 177.43 175.77 2gsb h LEU 31 N 0.06 -1.04 -1.97 1.61 3.38 -0.23 0.97 115.31 118.10 2gsb h LEU 31 Ca 0.04 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2gsb h LEU 31 Cb 0.12 0.51 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2gsb h LEU 31 CO -0.00 -0.30 0.00 -0.07 0.09 0.00 0.00 178.44 178.15 2gsb h LEU 32 N -0.20 0.00 0.00 1.67 3.38 -1.20 0.61 115.31 119.57 2gsb h LEU 32 Ca 0.20 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 2gsb h LEU 32 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2gsb h LEU 32 CO -0.59 0.00 -1.64 0.23 0.09 0.00 0.00 178.44 176.53 2gsb n MET 33 N -2.54 0.64 0.00 1.13 2.81 0.30 -3.47 117.12 115.98 2gsb n MET 33 Ca -0.02 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 2gsb n MET 33 Cb 0.05 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 30.89 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 -2.55 0.00 0.30 2.03 -2.24 0.94 -4.73 114.28 108.03 2gsb n THR 34 Ca -0.07 0.11 0.19 0.00 -2.27 0.00 0.00 64.05 62.00 2gsb n THR 34 Cb 0.68 -0.97 0.87 0.00 -2.10 0.00 0.00 70.33 68.81 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 0.00 -2.12 2.28 -1.51 -0.45 -3.43 116.25 111.02 2gsb h VAL 35 Ca 0.00 -0.27 -0.59 0.00 -1.23 0.00 0.00 66.70 64.61 2gsb h VAL 35 Cb 0.00 1.22 -0.12 0.00 -2.13 0.00 0.00 31.29 30.26 2gsb h VAL 35 CO 0.00 0.00 -0.69 -0.83 -1.23 0.00 0.00 177.57 174.82 2gsb s GLY 36 N -4.08 1.89 0.29 5.19 0.00 0.17 -4.68 107.32 106.09 2gsb s GLY 36 Ca -0.01 -1.85 0.01 0.00 0.00 0.00 0.00 44.72 42.86 2gsb s GLY 36 CO 0.46 -1.89 0.36 -1.06 0.00 0.00 0.00 173.10 170.97 2gsb n GLN 37 N -0.79 0.52 -1.40 2.90 6.02 -1.23 -3.91 117.38 119.49 2gsb n GLN 37 Ca -0.05 -2.46 -0.48 0.00 -0.01 0.00 0.00 57.00 54.00 2gsb n GLN 37 Cb 0.61 2.26 -0.03 0.00 1.02 0.00 0.00 30.24 34.10 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 -0.50 1.93 -3.19 5.09 0.31 -1.26 -1.88 118.33 118.83 2gsb n VAL 38 Ca 0.02 -0.50 -0.15 0.00 -0.01 0.00 0.00 64.34 63.70 2gsb n VAL 38 Cb 0.49 -0.05 0.05 0.00 -0.91 0.00 0.00 33.84 33.43 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 -3.21 1.90 0.18 0.00 0.15 -0.79 -3.22 113.70 108.71 2gsb s SER 40 Ca 0.37 -0.30 0.03 0.00 0.70 0.00 0.00 55.95 56.75 2gsb s SER 40 Cb -0.16 -0.35 -0.05 0.00 -1.71 0.00 0.00 66.02 63.75 2gsb s SER 40 CO 0.46 0.17 -0.02 0.72 1.20 0.00 0.00 173.24 175.78 2gsb s PHE 41 N -0.18 1.30 -0.10 3.44 -0.12 -1.25 -0.88 117.98 120.18 2gsb s PHE 41 Ca 0.02 -0.95 -0.29 0.00 -0.05 0.00 0.00 56.93 55.66 2gsb s PHE 41 Cb -0.08 -0.73 0.07 0.00 -0.63 0.00 0.00 43.02 41.64 2gsb s PHE 41 CO 0.00 -0.12 0.67 -0.48 -0.05 0.00 0.00 175.22 175.24 2gsb s LEU 42 N -3.20 -0.61 -0.08 -1.99 0.05 -0.74 -2.33 118.68 109.79 2gsb s LEU 42 Ca 0.24 0.87 -0.01 0.00 0.05 0.00 0.00 54.13 55.28 2gsb s LEU 42 Cb 0.05 2.46 -0.03 0.00 -2.05 0.00 0.00 46.19 46.62 2gsb s LEU 42 CO 0.04 -0.51 -0.02 -0.69 -0.55 0.00 0.00 176.35 174.62 2gsb s VAL 43 N -0.81 4.11 0.00 1.48 1.01 -0.40 -1.84 120.40 123.96 2gsb s VAL 43 Ca -0.08 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 2gsb s VAL 43 Cb -0.01 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.67 2gsb s VAL 43 CO 0.08 0.59 0.33 0.00 0.00 0.00 0.00 175.10 176.10 2gsb s ARG 44 N -0.89 0.74 0.53 2.72 1.70 -1.09 0.31 118.95 122.97 2gsb s ARG 44 Ca 0.13 -0.28 -0.20 0.00 -0.47 0.00 0.00 55.73 54.92 2gsb s ARG 44 Cb -0.11 0.33 -0.06 0.00 -0.57 0.00 0.00 34.95 34.53 2gsb s ARG 44 CO 0.02 -0.22 1.14 -1.25 -1.08 0.00 0.00 175.30 173.91 2gsb s PRO 45 N -1.75 3.44 0.10 3.89 0.04 -1.25 -1.91 135.00 137.55 2gsb s PRO 45 Ca -0.10 1.64 -0.26 0.00 0.04 0.00 0.00 61.00 62.32 2gsb s PRO 45 Cb -0.03 -2.09 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 2gsb s PRO 45 CO 0.02 -0.79 0.79 0.45 0.04 0.00 0.00 177.00 177.52 2gsb s SER 46 N -1.69 7.31 0.73 6.66 0.15 0.13 -4.77 113.70 122.22 2gsb s SER 46 Ca 0.71 1.56 -0.11 0.00 0.70 0.00 0.00 55.95 58.81 2gsb s SER 46 Cb -0.25 -2.49 0.03 0.00 -1.71 0.00 0.00 66.02 61.60 2gsb s SER 46 CO 0.28 0.08 1.09 -1.81 1.20 0.00 0.00 173.24 174.08 2gsb s ASP 47 N -0.44 5.19 -1.12 5.45 1.11 -1.26 -3.95 116.67 121.65 2gsb s ASP 47 Ca 0.38 1.26 -0.02 0.00 0.18 0.00 0.00 52.55 54.36 2gsb s ASP 47 Cb -0.22 -2.07 0.02 0.00 1.07 0.00 0.00 42.92 41.72 2gsb s ASP 47 CO 0.25 -1.52 0.05 0.59 1.18 0.00 0.00 175.17 175.72 2gsb n ASN 48 N -3.14 0.42 -4.06 0.27 4.13 -1.26 -4.88 115.26 106.74 2gsb n ASN 48 Ca 0.07 -0.89 -0.08 0.00 1.68 0.00 0.00 54.58 55.36 2gsb n ASN 48 Cb 0.56 -1.11 -0.09 0.00 -1.54 0.00 0.00 39.78 37.59 2gsb n ASN 48 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2gsb s THR 49 N -3.80 0.17 -2.00 3.41 -4.23 -1.25 -5.02 115.64 102.93 2gsb s THR 49 Ca 0.08 -1.71 0.04 0.00 -1.18 0.00 0.00 61.69 58.91 2gsb s THR 49 Cb -0.04 -1.62 0.11 0.00 1.34 0.00 0.00 72.50 72.28 2gsb s THR 49 CO 0.70 -0.79 0.69 -0.81 -0.54 0.00 0.00 174.62 173.87 2gsb n PRO 50 N 0.02 0.49 0.00 3.99 -0.04 -1.26 -4.59 135.00 133.61 2gsb n PRO 50 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2gsb n PRO 50 Cb 0.62 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 2gsb n PRO 50 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gsb n GLY 51 N -0.02 0.53 3.17 0.55 0.00 -1.26 -5.12 105.19 103.03 2gsb n GLY 51 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2gsb n GLY 51 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gsb n ASP 52 N 0.00 -3.95 -4.33 1.61 -0.08 -1.26 -4.57 116.55 103.98 2gsb n ASP 52 Ca 0.00 0.17 -0.19 0.00 -1.51 0.00 0.00 54.79 53.27 2gsb n ASP 52 Cb 0.00 -0.90 -0.10 0.00 2.34 0.00 0.00 41.12 42.46 2gsb n ASP 52 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 2gsb s TYR 53 N -2.16 1.67 -0.12 -0.67 2.02 -1.20 0.19 117.35 117.08 2gsb s TYR 53 Ca 0.47 -0.56 -0.07 0.00 -0.37 0.00 0.00 57.07 56.54 2gsb s TYR 53 Cb -0.15 -0.80 0.05 0.00 -0.40 0.00 0.00 41.96 40.66 2gsb s TYR 53 CO 0.74 0.32 0.29 -1.54 -1.57 0.00 0.00 175.55 173.78 2gsb s SER 54 N -3.09 -0.33 0.06 2.29 1.04 -0.80 -2.21 113.70 110.66 2gsb s SER 54 Ca 0.19 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.25 2gsb s SER 54 Cb -0.02 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 2gsb s SER 54 CO 0.06 -0.17 0.18 -0.22 0.98 0.00 0.00 173.24 174.08 2gsb s LEU 55 N 1.20 4.25 -0.05 2.42 0.20 -1.16 -2.68 118.68 122.86 2gsb s LEU 55 Ca -0.09 0.22 0.03 0.00 0.69 0.00 0.00 54.13 54.98 2gsb s LEU 55 Cb -0.09 -2.86 0.01 0.00 -0.43 0.00 0.00 46.19 42.82 2gsb s LEU 55 CO -0.09 0.17 -0.12 -0.31 -0.29 0.00 0.00 176.35 175.71 2gsb s TYR 56 N -1.48 1.38 0.23 5.38 1.51 -0.76 -1.23 117.35 122.37 2gsb s TYR 56 Ca 0.34 -0.46 0.11 0.00 -1.01 0.00 0.00 57.07 56.05 2gsb s TYR 56 Cb -0.13 -1.00 -0.05 0.00 -0.11 0.00 0.00 41.96 40.68 2gsb s TYR 56 CO 0.27 -0.22 -0.21 0.12 -1.11 0.00 0.00 175.55 174.40 2gsb s PHE 57 N 0.49 2.34 -0.10 2.71 5.36 -1.20 -1.79 117.98 125.79 2gsb s PHE 57 Ca -0.11 -0.33 0.03 0.00 -0.96 0.00 0.00 56.93 55.56 2gsb s PHE 57 Cb -0.14 -1.10 -0.01 0.00 -0.34 0.00 0.00 43.02 41.43 2gsb s PHE 57 CO 0.03 0.58 -0.20 0.50 -1.46 0.00 0.00 175.22 174.67 2gsb s ARG 58 N -3.02 3.03 0.05 10.12 6.06 -0.06 -1.88 118.95 133.25 2gsb s ARG 58 Ca 0.25 -0.81 -0.02 0.00 -2.50 0.00 0.00 55.73 52.64 2gsb s ARG 58 Cb -0.07 -2.38 -0.03 0.00 0.06 0.00 0.00 34.95 32.53 2gsb s ARG 58 CO 0.12 0.25 -0.00 0.95 -2.50 0.00 0.00 175.30 174.13 2gsb s THR 59 N 0.19 0.19 0.28 4.11 -4.23 -1.18 -2.15 115.64 112.85 2gsb s THR 59 Ca -0.12 -1.56 0.01 0.00 -1.18 0.00 0.00 61.69 58.85 2gsb s THR 59 Cb -0.16 -1.25 0.29 0.00 1.34 0.00 0.00 72.50 72.71 2gsb s THR 59 CO 0.07 -0.86 1.68 -0.55 -0.54 0.00 0.00 174.62 174.41 2gsb h ASN 60 N 3.40 0.14 0.24 3.99 7.08 -1.99 -2.61 115.58 125.84 2gsb h ASN 60 Ca -0.34 0.17 -0.01 0.00 -3.08 0.00 0.00 56.30 53.04 2gsb h ASN 60 Cb 1.16 0.20 0.00 0.00 -2.08 0.00 0.00 38.32 37.60 2gsb h ASN 60 CO 0.60 -0.07 -0.12 -0.33 -2.08 0.00 0.00 177.43 175.44 2gsb h GLU 61 N 0.30 -0.31 -2.30 4.14 4.39 -2.03 -3.49 114.58 115.27 2gsb h GLU 61 Ca 0.53 0.02 0.20 0.00 0.34 0.00 0.00 59.36 60.45 2gsb h GLU 61 Cb 1.01 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.67 2gsb h GLU 61 CO -0.57 -0.21 0.59 0.54 -1.16 0.00 0.00 179.01 178.20 2gsb s ASN 62 N -2.74 -0.07 -0.15 1.42 4.22 -0.98 -5.14 114.94 111.49 2gsb s ASN 62 Ca -0.05 -0.49 -0.27 0.00 -2.14 0.00 0.00 52.86 49.91 2gsb s ASN 62 Cb 0.00 0.44 -0.01 0.00 1.28 0.00 0.00 41.25 42.96 2gsb s ASN 62 CO 0.14 -0.84 0.92 -0.63 -2.04 0.00 0.00 177.10 174.65 2gsb s ILE 63 N -2.63 4.82 0.71 0.54 1.01 -1.26 -3.11 121.20 121.29 2gsb s ILE 63 Ca 0.17 1.84 -0.01 0.00 0.00 0.00 0.00 60.65 62.66 2gsb s ILE 63 Cb -0.01 -4.23 0.12 0.00 0.01 0.00 0.00 42.46 38.36 2gsb s ILE 63 CO 0.03 -0.00 0.98 -1.10 0.00 0.00 0.00 174.94 174.85 2gsb s GLN 64 N 2.19 1.71 -0.12 2.79 -0.21 -0.79 -4.95 119.66 120.28 2gsb s GLN 64 Ca 0.43 -1.11 -0.08 0.00 0.02 0.00 0.00 55.36 54.62 2gsb s GLN 64 Cb -0.17 -2.34 0.04 0.00 1.00 0.00 0.00 33.01 31.54 2gsb s GLN 64 CO 0.14 -1.42 0.31 0.50 -2.12 0.00 0.00 175.29 172.70 2gsb s ARG 65 N -5.13 0.31 0.34 2.91 3.52 -1.26 -3.25 118.95 116.39 2gsb s ARG 65 Ca 0.66 0.53 0.10 0.00 -0.13 0.00 0.00 55.73 56.89 2gsb s ARG 65 Cb -0.05 0.03 -0.06 0.00 -1.56 0.00 0.00 34.95 33.31 2gsb s ARG 65 CO 0.44 -0.11 -0.08 -0.06 -0.81 0.00 0.00 175.30 174.68 2gsb s PHE 66 N 0.79 2.43 -0.12 5.12 0.08 -0.37 -5.00 117.98 120.92 2gsb s PHE 66 Ca -0.05 -0.47 0.01 0.00 0.12 0.00 0.00 56.93 56.54 2gsb s PHE 66 Cb -0.06 -1.37 0.02 0.00 -0.57 0.00 0.00 43.02 41.03 2gsb s PHE 66 CO -0.05 0.57 -0.13 0.15 -0.10 0.00 0.00 175.22 175.66 2gsb s LYS 67 N -3.63 2.02 -0.33 0.44 3.01 -1.26 -2.97 119.74 117.01 2gsb s LYS 67 Ca 0.33 -0.47 -0.03 0.00 -1.01 0.00 0.00 55.97 54.79 2gsb s LYS 67 Cb 0.01 -1.83 0.06 0.00 -1.01 0.00 0.00 37.83 35.06 2gsb s LYS 67 CO 0.17 -0.15 0.07 0.42 0.51 0.00 0.00 175.35 176.36 2gsb s ILE 68 N 1.28 3.29 -0.07 2.17 1.01 -0.94 -4.41 121.20 123.52 2gsb s ILE 68 Ca -0.01 -1.41 -0.06 0.00 0.00 0.00 0.00 60.65 59.16 2gsb s ILE 68 Cb -0.14 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 2gsb s ILE 68 CO -0.05 -0.22 0.19 0.00 0.00 0.00 0.00 174.94 174.85 2gsb s PRO 70 N -1.36 1.72 0.01 0.00 0.04 -1.26 -1.10 135.00 133.05 2gsb s PRO 70 Ca 0.20 0.98 0.01 0.00 0.04 0.00 0.00 61.00 62.24 2gsb s PRO 70 Cb -0.13 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 2gsb s PRO 70 CO 0.10 -1.97 -0.04 0.95 0.04 0.00 0.00 177.00 176.08 2gsb s THR 71 N -2.92 0.29 -0.64 1.26 -4.23 -1.08 -4.77 115.64 103.56 2gsb s THR 71 Ca 0.62 -0.53 0.21 0.00 -1.18 0.00 0.00 61.69 60.81 2gsb s THR 71 Cb -0.18 -0.32 0.21 0.00 1.34 0.00 0.00 72.50 73.55 2gsb s THR 71 CO 0.57 -0.16 1.63 -0.81 -0.54 0.00 0.00 174.62 175.31 2gsb n PRO 72 N 2.33 0.13 -0.37 3.99 -0.04 -1.26 -2.60 135.00 137.18 2gsb n PRO 72 Ca -0.17 0.38 -0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2gsb n PRO 72 Cb 0.57 -1.76 0.14 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.01 2.92 -3.55 3.54 3.02 -1.26 -4.86 115.26 113.06 2gsb n ASN 73 Ca 0.02 -2.41 -0.19 0.00 -0.03 0.00 0.00 54.58 51.97 2gsb n ASN 73 Cb 0.21 -0.59 0.07 0.00 -0.61 0.00 0.00 39.78 38.86 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 0.15 -1.76 -2.34 6.41 3.02 -1.07 -4.99 115.26 114.68 2gsb n ASN 74 Ca 0.13 -0.70 -0.10 0.00 -0.03 0.00 0.00 54.58 53.88 2gsb n ASN 74 Cb 0.69 -4.68 -0.03 0.00 -0.61 0.00 0.00 39.78 35.15 2gsb n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gsb n GLN 75 N -4.20 0.39 -4.45 3.52 1.13 -1.24 -4.90 117.38 107.63 2gsb n GLN 75 Ca -0.29 -1.92 -0.23 0.00 -1.94 0.00 0.00 57.00 52.63 2gsb n GLN 75 Cb 0.67 1.75 -0.16 0.00 0.11 0.00 0.00 30.24 32.61 2gsb n GLN 75 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2gsb s PHE 76 N -3.40 1.18 -0.20 1.08 0.40 -0.87 -2.63 117.98 113.53 2gsb s PHE 76 Ca 0.21 -0.39 -0.07 0.00 -0.60 0.00 0.00 56.93 56.08 2gsb s PHE 76 Cb -0.00 -0.89 -0.04 0.00 0.51 0.00 0.00 43.02 42.61 2gsb s PHE 76 CO 0.15 -0.21 0.06 -1.64 0.70 0.00 0.00 175.22 174.28 2gsb s MET 77 N 0.62 3.87 0.07 0.44 -1.94 -0.26 -1.92 119.30 120.19 2gsb s MET 77 Ca -0.11 -0.39 0.00 0.00 -1.71 0.00 0.00 55.69 53.48 2gsb s MET 77 Cb -0.14 -3.23 0.00 0.00 2.01 0.00 0.00 34.83 33.47 2gsb s MET 77 CO 0.02 0.14 0.00 -0.12 -0.01 0.00 0.00 175.02 175.05 2gsb n MET 78 N 3.93 0.00 -2.45 2.03 1.56 -1.24 -0.66 117.12 120.29 2gsb n MET 78 Ca -0.16 0.00 -0.20 0.00 -0.27 0.00 0.00 57.70 57.07 2gsb n MET 78 Cb 0.52 -0.48 0.02 0.00 2.15 0.00 0.00 33.22 35.43 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 3.25 4.69 1.83 -5.12 0.00 -1.26 -4.64 105.19 103.94 2gsb n GLY 79 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.45 0.58 3.48 -0.02 0.00 -1.26 -5.03 105.19 102.48 2gsb n GLY 80 Ca 0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.11 1.69 -0.21 1.61 3.00 -1.26 -5.13 118.95 118.53 2gsb s ARG 81 Ca 0.00 -1.80 -0.03 0.00 0.00 0.00 0.00 55.73 53.90 2gsb s ARG 81 Cb 0.00 -1.69 -0.00 0.00 0.00 0.00 0.00 34.95 33.25 2gsb s ARG 81 CO 0.00 0.27 -0.07 0.71 0.00 0.00 0.00 175.30 176.21 2gsb s TYR 82 N -2.58 2.93 0.34 -0.53 2.02 -1.26 -3.60 117.35 114.66 2gsb s TYR 82 Ca 0.30 -1.05 0.09 0.00 -0.37 0.00 0.00 57.07 56.04 2gsb s TYR 82 Cb -0.03 -2.07 -0.05 0.00 -0.40 0.00 0.00 41.96 39.41 2gsb s TYR 82 CO 0.15 -0.59 0.07 0.71 -1.57 0.00 0.00 175.55 174.32 2gsb s TYR 83 N 1.43 2.61 0.04 2.71 1.51 -0.81 -4.91 117.35 119.94 2gsb s TYR 83 Ca 0.05 -0.42 -0.25 0.00 -1.01 0.00 0.00 57.07 55.45 2gsb s TYR 83 Cb -0.14 -1.56 -0.17 0.00 -0.11 0.00 0.00 41.96 39.98 2gsb s TYR 83 CO -0.05 0.42 1.48 -0.91 -1.11 0.00 0.00 175.55 175.38 2gsb h ASN 84 N 1.70 -0.13 -4.65 2.29 4.21 -1.90 -2.32 115.58 114.77 2gsb h ASN 84 Ca -0.43 -0.19 0.11 0.00 1.21 0.00 0.00 56.30 57.00 2gsb h ASN 84 Cb 1.25 0.03 -0.15 0.00 -1.12 0.00 0.00 38.32 38.33 2gsb h ASN 84 CO 0.65 0.11 0.50 -0.55 -1.29 0.00 0.00 177.43 176.85 2gsb s SER 85 N -5.26 -0.36 0.25 5.81 0.15 -1.26 -4.57 113.70 108.47 2gsb s SER 85 Ca -0.15 -0.01 -0.12 0.00 0.70 0.00 0.00 55.95 56.37 2gsb s SER 85 Cb 0.04 0.38 0.35 0.00 -1.71 0.00 0.00 66.02 65.08 2gsb s SER 85 CO 0.64 -0.62 1.56 0.40 1.20 0.00 0.00 173.24 176.42 2gsb h ILE 86 N 2.00 0.04 -0.73 6.45 2.04 -1.97 0.59 117.51 125.93 2gsb h ILE 86 Ca -0.22 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.75 2gsb h ILE 86 Cb 1.24 0.04 -0.13 0.00 -0.74 0.00 0.00 36.82 37.23 2gsb h ILE 86 CO 0.31 0.00 -0.40 1.23 0.00 0.00 0.00 178.15 179.29 2gsb h GLY 87 N -0.01 -0.20 0.78 5.37 0.00 -2.01 -1.70 103.07 105.30 2gsb h GLY 87 Ca 0.41 0.52 -0.02 0.00 0.00 0.00 0.00 47.33 48.24 2gsb h GLY 87 CO -0.97 -0.18 -0.39 -1.80 0.00 0.00 0.00 176.54 173.20 2gsb h ASP 88 N -0.13 -1.01 -0.85 0.19 3.58 -1.30 -2.76 116.42 114.14 2gsb h ASP 88 Ca 0.25 0.07 0.18 0.00 0.42 0.00 0.00 57.03 57.94 2gsb h ASP 88 Cb 0.56 0.31 -0.16 0.00 1.72 0.00 0.00 39.33 41.76 2gsb h ASP 88 CO -0.79 -0.59 -0.17 -0.38 -2.88 0.00 0.00 179.24 174.43 2gsb n ILE 89 N -5.52 -0.36 0.34 2.25 5.41 -0.70 -0.16 119.36 120.62 2gsb n ILE 89 Ca -0.12 1.93 -0.16 0.00 1.00 0.00 0.00 62.75 65.39 2gsb n ILE 89 Cb 0.41 -2.69 -0.08 0.00 -0.71 0.00 0.00 39.64 36.56 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 -0.02 1.39 2.04 -1.12 -1.33 117.51 118.48 2gsb h ILE 90 Ca 0.43 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.32 2gsb h ILE 90 Cb 0.70 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 2gsb h ILE 90 CO -0.86 0.00 -0.40 -0.78 0.00 0.00 0.00 178.15 176.11 2gsb h ASP 91 N -0.98 -1.23 -0.97 1.72 3.58 -0.61 0.10 116.42 118.04 2gsb h ASP 91 Ca -0.08 0.15 0.28 0.00 0.42 0.00 0.00 57.03 57.80 2gsb h ASP 91 Cb 0.79 0.49 -0.04 0.00 1.72 0.00 0.00 39.33 42.28 2gsb h ASP 91 CO 0.07 -0.44 0.74 -0.74 -2.88 0.00 0.00 179.24 175.99 2gsb h HIS 92 N -0.55 0.00 0.04 0.28 2.76 -0.53 0.63 115.15 117.78 2gsb h HIS 92 Ca 0.05 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 58.00 2gsb h HIS 92 Cb 0.64 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 2gsb h HIS 92 CO -0.42 0.00 -1.03 1.88 -1.30 0.00 0.00 177.93 177.06 2gsb h TYR 93 N 0.00 0.19 -0.97 5.26 0.05 0.35 -2.96 116.97 118.88 2gsb h TYR 93 Ca 0.46 -0.13 0.31 0.00 0.05 0.00 0.00 58.73 59.43 2gsb h TYR 93 Cb 1.94 -0.01 -0.17 0.00 1.01 0.00 0.00 36.73 39.50 2gsb h TYR 93 CO 0.00 1.06 0.29 0.00 -1.05 0.00 0.00 178.16 178.46 2gsb h ARG 94 N 0.04 0.08 0.00 4.88 2.47 0.16 0.58 114.38 122.60 2gsb h ARG 94 Ca -0.05 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2gsb h ARG 94 Cb 1.75 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 30.05 2gsb h ARG 94 CO 0.15 0.06 -1.49 0.36 0.56 0.00 0.00 179.97 179.60 2gsb n LYS 95 N -5.31 0.58 -3.61 0.04 2.85 -1.24 -4.06 118.16 107.41 2gsb n LYS 95 Ca 0.28 -0.05 -0.39 0.00 -1.05 0.00 0.00 58.31 57.10 2gsb n LYS 95 Cb 0.93 -1.64 -0.11 0.00 -0.65 0.00 0.00 35.03 33.55 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 -3.41 3.47 -0.79 -1.58 0.41 0.20 -5.00 118.70 112.00 2gsb s GLU 96 Ca -0.04 -0.64 -0.23 0.00 -0.41 0.00 0.00 54.97 53.65 2gsb s GLU 96 Cb 0.12 -3.66 -0.17 0.00 -1.78 0.00 0.00 34.13 28.64 2gsb s GLU 96 CO 0.85 -0.39 2.40 1.04 -0.49 0.00 0.00 175.26 178.67 2gsb n GLN 97 N 5.03 0.49 0.22 1.61 6.02 -1.26 -4.53 117.38 124.97 2gsb n GLN 97 Ca -0.13 -0.33 0.14 0.00 -0.01 0.00 0.00 57.00 56.66 2gsb n GLN 97 Cb 0.50 -2.76 0.72 0.00 1.02 0.00 0.00 30.24 29.72 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 7.60 0.00 -1.79 5.09 2.10 -1.56 -3.43 117.51 125.51 2gsb h ILE 98 Ca -0.06 0.00 -0.61 0.00 1.08 0.00 0.00 64.86 65.27 2gsb h ILE 98 Cb 1.14 0.59 -0.13 0.00 -1.09 0.00 0.00 36.82 37.33 2gsb h ILE 98 CO 1.23 0.00 -0.51 -0.69 -1.08 0.00 0.00 178.15 177.10 2gsb s VAL 99 N -3.71 0.78 0.59 2.19 1.01 -1.20 -4.98 120.40 115.07 2gsb s VAL 99 Ca -0.03 -2.00 0.36 0.00 0.00 0.00 0.00 61.98 60.31 2gsb s VAL 99 Cb 0.08 -2.26 0.53 0.00 0.00 0.00 0.00 36.38 34.73 2gsb s VAL 99 CO 0.24 0.00 1.47 1.05 0.00 0.00 0.00 175.10 177.86 2gsb h GLU 100 N 1.61 0.00 0.00 2.72 4.11 -2.03 -3.24 114.58 117.75 2gsb h GLU 100 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.05 2gsb h GLU 100 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2gsb h GLU 100 CO 0.62 0.00 0.00 0.41 0.07 0.00 0.00 179.01 180.11 2gsb n GLY 101 N -1.79 0.00 2.95 1.06 0.00 -1.26 -5.09 105.19 101.06 2gsb n GLY 101 Ca 0.30 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.14 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 0.65 0.36 1.61 1.51 -1.23 -5.07 117.35 115.19 2gsb s TYR 102 Ca 0.00 -0.14 0.07 0.00 -1.01 0.00 0.00 57.07 55.99 2gsb s TYR 102 Cb 0.00 -0.49 -0.02 0.00 -0.11 0.00 0.00 41.96 41.35 2gsb s TYR 102 CO 0.00 -0.07 0.38 0.71 -1.11 0.00 0.00 175.55 175.46 2gsb s TYR 103 N 0.23 2.91 -0.71 2.71 2.02 -1.26 -1.82 117.35 121.43 2gsb s TYR 103 Ca -0.03 -0.33 -0.21 0.00 -0.37 0.00 0.00 57.07 56.14 2gsb s TYR 103 Cb -0.07 -1.98 0.09 0.00 -0.40 0.00 0.00 41.96 39.60 2gsb s TYR 103 CO -0.00 0.01 0.95 -0.51 -1.57 0.00 0.00 175.55 174.43 2gsb s LEU 104 N -4.10 4.75 -0.02 -1.29 1.43 -1.26 -4.80 118.68 113.38 2gsb s LEU 104 Ca 0.45 -1.33 -0.11 0.00 -1.03 0.00 0.00 54.13 52.11 2gsb s LEU 104 Cb -0.07 -2.39 -0.06 0.00 0.03 0.00 0.00 46.19 43.70 2gsb s LEU 104 CO 0.29 -1.29 0.60 0.11 0.23 0.00 0.00 176.35 176.29 2gsb h LYS 105 N 9.32 -0.38 -1.70 1.70 1.79 -1.91 -3.43 116.57 121.96 2gsb h LYS 105 Ca -0.18 0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.35 2gsb h LYS 105 Cb 1.06 0.09 -0.24 0.00 -1.58 0.00 0.00 32.23 31.56 2gsb h LYS 105 CO 1.15 -0.25 0.38 -1.83 -1.08 0.00 0.00 179.45 177.81 2gsb s GLU 106 N -2.94 0.62 1.12 3.15 -1.05 -1.20 -5.10 118.70 113.30 2gsb s GLU 106 Ca -0.06 0.62 -0.16 0.00 -0.15 0.00 0.00 54.97 55.22 2gsb s GLU 106 Cb 0.01 0.30 0.25 0.00 -0.44 0.00 0.00 34.13 34.24 2gsb s GLU 106 CO 0.17 -0.10 1.10 -1.25 0.95 0.00 0.00 175.26 176.14 2gsb s PRO 107 N 0.05 -0.54 0.12 -4.83 0.04 -1.26 -3.91 135.00 124.67 2gsb s PRO 107 Ca 0.01 0.18 -0.25 0.00 0.04 0.00 0.00 61.00 60.98 2gsb s PRO 107 Cb -0.04 -1.65 -0.07 0.00 0.04 0.00 0.00 34.50 32.77 2gsb s PRO 107 CO -0.03 -3.31 0.76 0.08 0.04 0.00 0.00 177.00 174.54 2gsb s VAL 108 N -2.99 4.50 1.09 -0.36 1.01 -0.98 -4.82 120.40 117.84 2gsb s VAL 108 Ca 0.68 1.65 -0.15 0.00 0.00 0.00 0.00 61.98 64.16 2gsb s VAL 108 Cb -0.14 -4.11 0.23 0.00 0.00 0.00 0.00 36.38 32.36 2gsb s VAL 108 CO 0.57 0.48 1.10 -2.16 0.00 0.00 0.00 175.10 175.09 2gsb s PRO 109 N -0.84 -0.29 0.64 2.72 0.04 -1.26 -4.32 135.00 131.69 2gsb s PRO 109 Ca 0.36 0.27 -0.07 0.00 0.04 0.00 0.00 61.00 61.60 2gsb s PRO 109 Cb -0.22 -1.67 0.14 0.00 0.04 0.00 0.00 34.50 32.78 2gsb s PRO 109 CO 0.25 -3.16 0.88 -1.33 0.04 0.00 0.00 177.00 173.67 2gsb n MET 110 N -4.43 -0.50 -3.82 4.56 2.81 -1.26 -5.03 117.12 109.45 2gsb n MET 110 Ca 0.08 -1.75 -0.29 0.00 -1.81 0.00 0.00 57.70 53.93 2gsb n MET 110 Cb 0.58 -0.78 -0.13 0.00 -0.71 0.00 0.00 33.22 32.18 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 -4.82 1.81 -0.18 0.03 -1.52 -1.26 -5.08 119.66 108.64 2gsb s GLN 111 Ca 0.53 -2.59 -0.36 0.00 -1.95 0.00 0.00 55.36 50.99 2gsb s GLN 111 Cb -0.02 -2.89 -0.13 0.00 -0.22 0.00 0.00 33.01 29.75 2gsb s GLN 111 CO 0.36 -1.20 1.86 -3.47 -0.25 0.00 0.00 175.29 172.60 2gsb n ASP 112 N 2.91 2.97 -4.87 5.90 2.03 -1.26 -4.95 116.55 119.28 2gsb n ASP 112 Ca 0.12 0.97 -0.30 0.00 0.52 0.00 0.00 54.79 56.09 2gsb n ASP 112 Cb 0.35 -1.28 -0.05 0.00 -0.72 0.00 0.00 41.12 39.42 2gsb n ASP 112 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2gsb s GLN 113 N 4.08 3.25 -0.29 -0.67 -2.07 -1.26 -5.11 119.66 117.59 2gsb s GLN 113 Ca 0.96 -0.54 -0.15 0.00 -1.82 0.00 0.00 55.36 53.81 2gsb s GLN 113 Cb -0.84 -2.92 0.11 0.00 -1.09 0.00 0.00 33.01 28.26 2gsb s GLN 113 CO 0.57 0.59 0.76 -1.12 -1.32 0.00 0.00 175.29 174.76 2gsb s SER 114 N -2.54 -0.87 0.22 12.60 0.01 -1.26 -5.15 113.70 116.70 2gsb s SER 114 Ca 0.33 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.93 2gsb s SER 114 Cb -0.13 1.56 0.00 0.00 0.21 0.00 0.00 66.02 67.67 2gsb s SER 114 CO 0.26 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.32 2gsb n GLY 115 N 4.48 -2.37 3.56 3.44 0.00 -1.26 -4.67 105.19 108.36 2gsb n GLY 115 Ca -0.17 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.72 2.70 -0.61 1.61 0.04 -1.26 -4.89 135.00 129.87 2gsb s PRO 116 Ca 0.00 0.68 -0.32 0.00 0.04 0.00 0.00 61.00 61.41 2gsb s PRO 116 Cb 0.00 -4.37 -0.14 0.00 0.04 0.00 0.00 34.50 30.03 2gsb s PRO 116 CO 0.00 -2.64 2.42 0.45 0.04 0.00 0.00 177.00 177.27 2gsb n SER 117 N 12.49 1.50 -0.08 6.66 2.88 -1.26 -4.80 113.62 131.01 2gsb n SER 117 Ca 0.21 0.09 -0.15 0.00 -1.33 0.00 0.00 58.87 57.69 2gsb n SER 117 Cb 0.52 -1.22 -0.10 0.00 -0.75 0.00 0.00 64.21 62.65 2gsb n SER 117 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2gsb h SER 118 N 14.12 0.00 0.00 -3.46 0.02 -1.96 -3.55 113.55 118.72 2gsb h SER 118 Ca -0.18 -0.67 0.00 0.00 -0.84 0.00 0.00 61.79 60.10 2gsb h SER 118 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 2gsb h SER 118 CO 1.18 1.11 0.00 0.61 -1.14 0.00 0.00 176.83 178.59