#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g3x h PRO 11 N 0.00 0.00 -3.92 0.00 0.13 -1.87 -3.43 132.00 122.91 2g3x h PRO 11 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 2g3x h PRO 11 Cb 0.00 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 30.76 2g3x h PRO 11 CO 0.00 0.00 -0.78 -1.17 -0.23 0.00 0.00 178.00 175.82 2g3x s LEU 12 N -6.18 0.85 0.04 1.56 2.96 -1.26 -0.73 118.68 115.92 2g3x s LEU 12 Ca 0.02 -0.17 0.07 0.00 -0.22 0.00 0.00 54.13 53.83 2g3x s LEU 12 Cb 0.08 -0.60 -0.02 0.00 0.50 0.00 0.00 46.19 46.15 2g3x s LEU 12 CO 0.57 -0.16 -0.20 -0.04 -1.32 0.00 0.00 176.35 175.20 2g3x s MET 13 N 1.83 1.31 -0.05 1.98 -1.94 0.09 -4.51 119.30 118.02 2g3x s MET 13 Ca 0.04 -0.91 0.04 0.00 -1.71 0.00 0.00 55.69 53.15 2g3x s MET 13 Cb -0.12 -1.41 -0.00 0.00 2.01 0.00 0.00 34.83 35.30 2g3x s MET 13 CO -0.06 0.36 -0.17 0.08 -0.01 0.00 0.00 175.02 175.22 2g3x s VAL 14 N -0.81 1.41 -0.08 -6.03 1.01 -1.21 -0.60 120.40 114.09 2g3x s VAL 14 Ca 0.07 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.37 2g3x s VAL 14 Cb -0.09 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.09 2g3x s VAL 14 CO 0.02 0.41 -0.11 -0.75 0.00 0.00 0.00 175.10 174.67 2g3x s LYS 15 N 0.16 1.68 -0.10 2.72 2.20 -0.53 -1.54 119.74 124.33 2g3x s LYS 15 Ca -0.06 -0.38 0.03 0.00 -0.36 0.00 0.00 55.97 55.20 2g3x s LYS 15 Cb -0.13 -1.49 -0.01 0.00 -1.51 0.00 0.00 37.83 34.70 2g3x s LYS 15 CO 0.03 -0.07 -0.21 0.08 -0.36 0.00 0.00 175.35 174.82 2g3x s VAL 16 N 1.00 2.31 0.17 4.02 1.01 -0.02 -0.96 120.40 127.93 2g3x s VAL 16 Ca -0.08 -0.94 0.11 0.00 0.00 0.00 0.00 61.98 61.07 2g3x s VAL 16 Cb -0.15 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2g3x s VAL 16 CO -0.00 0.55 -0.25 -0.76 0.00 0.00 0.00 175.10 174.64 2g3x s LEU 17 N 0.25 2.40 -0.32 3.92 1.43 0.54 -0.76 118.68 126.14 2g3x s LEU 17 Ca -0.14 -0.83 -0.08 0.00 -1.03 0.00 0.00 54.13 52.05 2g3x s LEU 17 Cb -0.17 -1.17 0.02 0.00 0.03 0.00 0.00 46.19 44.90 2g3x s LEU 17 CO 0.07 0.13 0.12 -0.62 0.23 0.00 0.00 176.35 176.29 2g3x s ASP 18 N -2.48 5.35 0.30 2.29 -1.08 0.28 -1.08 116.67 120.25 2g3x s ASP 18 Ca 0.18 -0.85 0.26 0.00 -0.52 0.00 0.00 52.55 51.62 2g3x s ASP 18 Cb -0.09 -1.92 0.84 0.00 -1.46 0.00 0.00 42.92 40.30 2g3x s ASP 18 CO 0.09 -0.26 1.76 0.00 0.52 0.00 0.00 175.17 177.27 2g3x h ALA 19 N 8.28 1.00 0.14 3.66 0.00 -1.47 -1.17 119.26 129.71 2g3x h ALA 19 Ca -0.28 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.28 2g3x h ALA 19 Cb 1.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2g3x h ALA 19 CO 0.62 0.00 -1.84 0.28 0.00 0.00 0.00 179.25 178.31 2g3x h VAL 20 N 0.00 0.78 0.00 0.00 2.07 -1.94 -3.39 116.25 113.77 2g3x h VAL 20 Ca 0.00 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.12 2g3x h VAL 20 Cb 0.66 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 2g3x h VAL 20 CO 0.00 0.85 -1.17 0.54 0.02 0.00 0.00 177.57 177.81 2g3x n ARG 21 N -3.59 0.41 -2.89 1.57 1.74 -1.24 -5.00 116.66 107.66 2g3x n ARG 21 Ca -0.29 -0.01 -0.11 0.00 -0.77 0.00 0.00 57.85 56.68 2g3x n ARG 21 Cb 1.03 -1.63 0.05 0.00 -1.02 0.00 0.00 32.46 30.89 2g3x n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2g3x n GLY 22 N 1.31 -0.01 3.63 -0.13 0.00 -0.45 -5.04 105.19 104.52 2g3x n GLY 22 Ca 0.01 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 2g3x n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2g3x s SER 23 N -3.68 0.26 0.63 1.61 1.04 -1.18 -5.01 113.70 107.37 2g3x s SER 23 Ca 0.06 -1.14 -0.14 0.00 0.48 0.00 0.00 55.95 55.21 2g3x s SER 23 Cb -0.03 0.69 -0.02 0.00 0.10 0.00 0.00 66.02 66.77 2g3x s SER 23 CO 0.42 -1.35 1.06 -2.84 0.98 0.00 0.00 173.24 171.52 2g3x s PRO 24 N -3.27 3.12 -0.53 4.02 0.02 -1.26 -0.55 135.00 136.55 2g3x s PRO 24 Ca 0.22 1.16 -0.21 0.00 0.02 0.00 0.00 61.00 62.19 2g3x s PRO 24 Cb -0.02 -2.01 0.05 0.00 0.02 0.00 0.00 34.50 32.55 2g3x s PRO 24 CO 0.13 -0.97 0.74 0.00 -0.33 0.00 0.00 177.00 176.57 2g3x s ALA 25 N -2.62 3.31 0.12 -1.55 0.00 0.06 -4.58 121.76 116.50 2g3x s ALA 25 Ca 0.62 -1.59 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 2g3x s ALA 25 Cb -0.16 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 19.40 2g3x s ALA 25 CO 0.43 -2.15 0.57 0.42 0.00 0.00 0.00 175.76 175.03 2g3x s ILE 26 N 3.09 4.78 -1.45 0.00 -1.09 -1.26 -4.37 121.20 120.89 2g3x s ILE 26 Ca 0.20 1.05 -0.10 0.00 -2.23 0.00 0.00 60.65 59.57 2g3x s ILE 26 Cb -0.17 -3.82 0.05 0.00 -1.58 0.00 0.00 42.46 36.94 2g3x s ILE 26 CO 0.14 0.39 0.98 -3.20 -1.23 0.00 0.00 174.94 172.02 2g3x n ASN 27 N 1.23 -4.43 -4.76 3.58 5.15 -0.52 -4.95 115.26 110.57 2g3x n ASN 27 Ca -0.07 -0.73 -0.36 0.00 -0.60 0.00 0.00 54.58 52.82 2g3x n ASN 27 Cb 0.51 -4.21 -0.08 0.00 -0.53 0.00 0.00 39.78 35.47 2g3x n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2g3x s VAL 28 N -3.37 5.04 0.06 3.44 1.01 -1.26 -4.77 120.40 120.55 2g3x s VAL 28 Ca 0.51 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.23 2g3x s VAL 28 Cb -0.25 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 2g3x s VAL 28 CO 0.80 0.56 1.17 0.00 0.00 0.00 0.00 175.10 177.62 2g3x s ALA 29 N -0.49 3.36 -0.07 5.51 0.00 -1.25 -1.43 121.76 127.39 2g3x s ALA 29 Ca 0.11 0.81 0.02 0.00 0.00 0.00 0.00 51.96 52.90 2g3x s ALA 29 Cb -0.12 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.59 2g3x s ALA 29 CO 0.02 -0.39 -0.13 0.08 0.00 0.00 0.00 175.76 175.34 2g3x s VAL 30 N 0.95 1.19 -0.02 0.00 1.01 -0.20 -1.62 120.40 121.70 2g3x s VAL 30 Ca 0.57 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 62.12 2g3x s VAL 30 Cb -0.28 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 2g3x s VAL 30 CO 0.30 0.37 -0.21 -1.00 0.00 0.00 0.00 175.10 174.56 2g3x s HIS 31 N 0.76 2.49 -0.09 5.22 3.76 -0.20 -1.92 115.29 125.31 2g3x s HIS 31 Ca -0.13 -0.31 0.04 0.00 -0.15 0.00 0.00 55.06 54.51 2g3x s HIS 31 Cb -0.16 -1.54 -0.00 0.00 1.11 0.00 0.00 32.58 31.99 2g3x s HIS 31 CO 0.03 0.08 -0.23 0.08 -0.85 0.00 0.00 174.74 173.84 2g3x s VAL 32 N -0.69 1.99 0.25 -0.90 1.01 0.63 -0.50 120.40 122.18 2g3x s VAL 32 Ca 0.11 -0.99 0.11 0.00 0.00 0.00 0.00 61.98 61.21 2g3x s VAL 32 Cb -0.10 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 2g3x s VAL 32 CO 0.00 0.55 -0.20 -0.36 0.00 0.00 0.00 175.10 175.09 2g3x s PHE 33 N 0.25 2.19 -0.06 5.22 0.40 -0.02 -0.84 117.98 125.12 2g3x s PHE 33 Ca -0.15 -0.37 0.03 0.00 -0.60 0.00 0.00 56.93 55.83 2g3x s PHE 33 Cb -0.17 -0.98 0.01 0.00 0.51 0.00 0.00 43.02 42.38 2g3x s PHE 33 CO 0.07 0.62 -0.15 0.50 0.70 0.00 0.00 175.22 176.97 2g3x s ARG 34 N -3.36 1.76 0.13 0.44 3.52 0.02 -1.39 118.95 120.07 2g3x s ARG 34 Ca 0.27 -0.51 -0.30 0.00 -0.13 0.00 0.00 55.73 55.06 2g3x s ARG 34 Cb -0.05 -1.47 -0.07 0.00 -1.56 0.00 0.00 34.95 31.80 2g3x s ARG 34 CO 0.13 0.13 1.21 0.21 -0.81 0.00 0.00 175.30 176.16 2g3x s LYS 35 N 0.37 4.46 0.51 5.12 2.20 -0.28 -1.57 119.74 130.56 2g3x s LYS 35 Ca -0.10 1.85 0.03 0.00 -0.36 0.00 0.00 55.97 57.39 2g3x s LYS 35 Cb -0.14 -3.28 0.03 0.00 -1.51 0.00 0.00 37.83 32.93 2g3x s LYS 35 CO 0.03 -0.17 0.71 0.00 -0.36 0.00 0.00 175.35 175.57 2g3x s ALA 36 N 0.42 4.10 0.34 3.13 0.00 0.20 -4.76 121.76 125.19 2g3x s ALA 36 Ca 0.56 -1.45 0.08 0.00 0.00 0.00 0.00 51.96 51.15 2g3x s ALA 36 Cb -0.32 -1.93 0.80 0.00 0.00 0.00 0.00 23.12 21.67 2g3x s ALA 36 CO 0.33 -0.62 1.83 0.00 0.00 0.00 0.00 175.76 177.31 2g3x h ALA 37 N 0.24 1.81 -0.14 0.00 0.00 -1.96 0.19 119.26 119.39 2g3x h ALA 37 Ca -0.41 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2g3x h ALA 37 Cb 1.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2g3x h ALA 37 CO 0.50 -0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.25 2g3x n ASP 38 N -4.62 1.52 -0.59 0.00 5.68 -1.26 -4.85 116.55 112.43 2g3x n ASP 38 Ca 0.20 -2.11 -0.08 0.00 -0.50 0.00 0.00 54.79 52.30 2g3x n ASP 38 Cb 0.52 -0.35 -0.03 0.00 -1.14 0.00 0.00 41.12 40.12 2g3x n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2g3x n ASP 39 N 0.06 -4.84 -4.84 -1.12 9.92 0.67 -4.99 116.55 111.40 2g3x n ASP 39 Ca 0.06 0.19 -0.33 0.00 -0.53 0.00 0.00 54.79 54.17 2g3x n ASP 39 Cb 0.32 -3.02 -0.06 0.00 -0.64 0.00 0.00 41.12 37.72 2g3x n ASP 39 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2g3x s THR 40 N -1.98 4.70 -0.41 -3.53 2.01 -1.25 -4.77 115.64 110.41 2g3x s THR 40 Ca 0.00 0.95 -0.20 0.00 0.31 0.00 0.00 61.69 62.75 2g3x s THR 40 Cb 0.00 -3.68 0.01 0.00 0.01 0.00 0.00 72.50 68.85 2g3x s THR 40 CO 0.00 -0.04 0.59 0.26 -0.69 0.00 0.00 174.62 174.74 2g3x s TRP 41 N -1.81 3.11 -0.15 4.92 0.52 -1.26 -0.63 118.94 123.65 2g3x s TRP 41 Ca 0.49 0.01 -0.10 0.00 0.02 0.00 0.00 56.10 56.53 2g3x s TRP 41 Cb -0.12 -3.18 -0.05 0.00 -1.15 0.00 0.00 33.47 28.97 2g3x s TRP 41 CO 0.19 -0.75 0.18 -2.00 0.02 0.00 0.00 176.95 174.59 2g3x s GLU 42 N 2.64 3.88 0.31 4.98 2.12 -0.61 -4.89 118.70 127.14 2g3x s GLU 42 Ca 0.21 -0.08 -0.29 0.00 0.36 0.00 0.00 54.97 55.17 2g3x s GLU 42 Cb -0.15 -3.31 -0.12 0.00 0.26 0.00 0.00 34.13 30.81 2g3x s GLU 42 CO 0.17 0.51 1.38 -2.30 -0.54 0.00 0.00 175.26 174.48 2g3x n PRO 43 N 2.78 2.23 0.00 4.30 -0.02 -1.26 -0.80 135.00 142.22 2g3x n PRO 43 Ca -0.17 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2g3x n PRO 43 Cb 0.53 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2g3x n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2g3x n PHE 44 N 0.98 0.00 -3.50 6.00 7.35 -0.02 -4.76 117.46 123.50 2g3x n PHE 44 Ca 0.07 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.67 2g3x n PHE 44 Cb 0.35 0.01 -0.02 0.00 0.35 0.00 0.00 39.48 40.17 2g3x n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2g3x s ALA 45 N -1.99 -1.82 0.19 3.13 0.00 -1.04 -5.02 121.76 115.21 2g3x s ALA 45 Ca 0.00 1.04 -0.23 0.00 0.00 0.00 0.00 51.96 52.76 2g3x s ALA 45 Cb 0.00 0.34 0.06 0.00 0.00 0.00 0.00 23.12 23.52 2g3x s ALA 45 CO 0.00 -0.65 0.93 -1.54 0.00 0.00 0.00 175.76 174.49 2g3x s SER 46 N -2.35 -0.15 0.00 0.00 1.04 -1.26 -0.27 113.70 110.70 2g3x s SER 46 Ca 0.04 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.95 2g3x s SER 46 Cb -0.01 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.66 2g3x s SER 46 CO -0.08 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.72 2g3x n GLY 47 N -0.50 -1.38 3.25 7.32 0.00 -0.81 -4.98 105.19 108.08 2g3x n GLY 47 Ca -0.05 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 2g3x n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g3x s LYS 48 N -0.95 2.37 0.56 1.61 1.02 -1.26 -1.03 119.74 122.06 2g3x s LYS 48 Ca 0.00 -0.85 -0.21 0.00 0.02 0.00 0.00 55.97 54.93 2g3x s LYS 48 Cb 0.00 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.23 2g3x s LYS 48 CO 0.00 0.37 1.36 0.25 -0.92 0.00 0.00 175.35 176.41 2g3x n THR 49 N 2.95 4.03 -1.51 2.17 -2.24 -0.51 -4.83 114.28 114.33 2g3x n THR 49 Ca -0.17 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 60.99 2g3x n THR 49 Cb 0.52 -1.65 0.08 0.00 -2.10 0.00 0.00 70.33 67.17 2g3x n THR 49 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2g3x n SER 50 N -1.16 0.11 0.08 3.42 3.41 0.02 -1.43 113.62 118.07 2g3x n SER 50 Ca 0.11 -1.23 0.09 0.00 -0.26 0.00 0.00 58.87 57.58 2g3x n SER 50 Cb 0.45 -0.38 0.39 0.00 -0.26 0.00 0.00 64.21 64.41 2g3x n SER 50 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2g3x n GLU 51 N -2.05 0.10 -0.25 4.33 1.02 -1.26 -0.85 120.64 121.68 2g3x n GLU 51 Ca 0.07 0.43 0.10 0.00 -0.02 0.00 0.00 57.16 57.73 2g3x n GLU 51 Cb 0.23 -1.73 0.23 0.00 -0.02 0.00 0.00 31.44 30.15 2g3x n GLU 51 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2g3x n SER 52 N -1.93 3.44 -0.39 1.62 3.41 -1.26 -4.83 113.62 113.67 2g3x n SER 52 Ca 0.01 -1.96 -0.05 0.00 -0.26 0.00 0.00 58.87 56.61 2g3x n SER 52 Cb 0.14 -0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 63.75 2g3x n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2g3x n GLY 53 N 1.27 0.75 3.71 5.00 0.00 -0.03 -4.82 105.19 111.08 2g3x n GLY 53 Ca 0.19 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 2g3x n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2g3x s GLU 54 N -2.03 2.52 -0.23 1.61 2.02 -1.26 -0.84 118.70 120.48 2g3x s GLU 54 Ca 0.00 -1.31 -0.03 0.00 0.02 0.00 0.00 54.97 53.66 2g3x s GLU 54 Cb 0.00 -2.30 0.08 0.00 0.10 0.00 0.00 34.13 32.01 2g3x s GLU 54 CO 0.00 0.35 0.07 -1.17 0.02 0.00 0.00 175.26 174.53 2g3x s LEU 55 N -3.75 1.28 0.33 1.80 2.96 -0.59 -0.80 118.68 119.91 2g3x s LEU 55 Ca 0.33 -1.07 0.08 0.00 -0.22 0.00 0.00 54.13 53.24 2g3x s LEU 55 Cb -0.07 -0.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.99 2g3x s LEU 55 CO 0.22 -0.36 0.24 -1.00 -1.32 0.00 0.00 176.35 174.13 2g3x s HIS 56 N 1.86 2.87 -0.92 5.38 3.76 -1.26 -3.32 115.29 123.65 2g3x s HIS 56 Ca 0.03 -0.30 0.00 0.00 -0.15 0.00 0.00 55.06 54.64 2g3x s HIS 56 Cb -0.17 -1.71 0.00 0.00 1.11 0.00 0.00 32.58 31.81 2g3x s HIS 56 CO -0.17 0.26 0.00 0.41 -0.85 0.00 0.00 174.74 174.40 2g3x n GLY 57 N -1.29 1.05 0.24 -2.22 0.00 -1.26 -4.92 105.19 96.78 2g3x n GLY 57 Ca -0.03 -0.57 -0.07 0.00 0.00 0.00 0.00 46.02 45.35 2g3x n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2g3x h LEU 58 N 0.00 0.69 0.00 0.99 3.38 -1.82 -3.47 115.31 115.08 2g3x h LEU 58 Ca -0.18 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.59 2g3x h LEU 58 Cb 0.60 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2g3x h LEU 58 CO 0.26 0.54 -0.06 1.07 0.09 0.00 0.00 178.44 180.35 2g3x n THR 59 N -4.64 0.00 -4.44 0.22 5.66 -1.26 -4.78 114.28 105.05 2g3x n THR 59 Ca 0.04 -0.94 -0.22 0.00 -3.05 0.00 0.00 64.05 59.88 2g3x n THR 59 Cb 0.05 0.60 -0.10 0.00 -1.55 0.00 0.00 70.33 69.33 2g3x n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2g3x s THR 60 N -2.63 1.82 0.27 1.09 -4.23 -1.26 -4.58 115.64 106.11 2g3x s THR 60 Ca 0.15 -2.18 -0.04 0.00 -1.18 0.00 0.00 61.69 58.45 2g3x s THR 60 Cb -0.01 -2.40 0.27 0.00 1.34 0.00 0.00 72.50 71.70 2g3x s THR 60 CO 0.11 -0.34 1.92 1.05 -0.54 0.00 0.00 174.62 176.81 2g3x h GLU 61 N 2.29 1.21 -0.11 3.99 4.11 -1.98 -1.03 114.58 123.05 2g3x h GLU 61 Ca -0.40 -0.07 -0.10 0.00 0.07 0.00 0.00 59.36 58.86 2g3x h GLU 61 Cb 1.24 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 2g3x h GLU 61 CO 0.66 0.80 -0.36 0.93 0.07 0.00 0.00 179.01 181.11 2g3x h GLU 62 N 1.24 0.23 0.00 1.06 5.08 -2.05 -3.23 114.58 116.91 2g3x h GLU 62 Ca 0.39 -0.10 -0.22 0.00 -1.00 0.00 0.00 59.36 58.42 2g3x h GLU 62 Cb -0.01 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2g3x h GLU 62 CO -0.12 0.57 -1.27 1.49 -1.00 0.00 0.00 179.01 178.68 2g3x h GLU 63 N 0.20 0.00 -4.57 2.33 4.81 -1.83 -3.41 114.58 112.10 2g3x h GLU 63 Ca 0.02 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.53 2g3x h GLU 63 Cb 0.74 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.01 2g3x h GLU 63 CO 0.06 0.67 2.23 0.34 -0.73 0.00 0.00 179.01 181.58 2g3x n PHE 64 N -3.17 4.03 -2.24 0.92 7.35 -0.44 -4.96 117.46 118.95 2g3x n PHE 64 Ca -0.07 -2.98 -0.25 0.00 -0.76 0.00 0.00 57.45 53.38 2g3x n PHE 64 Cb 0.95 -2.36 0.07 0.00 0.35 0.00 0.00 39.48 38.49 2g3x n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2g3x s VAL 65 N 2.48 2.30 0.70 -2.13 -7.23 -1.26 -4.97 120.40 110.30 2g3x s VAL 65 Ca 0.46 -0.31 -0.16 0.00 -1.81 0.00 0.00 61.98 60.16 2g3x s VAL 65 Cb 0.07 -2.99 0.02 0.00 0.56 0.00 0.00 36.38 34.03 2g3x s VAL 65 CO -0.00 0.00 1.19 -0.62 -0.31 0.00 0.00 175.10 175.36 2g3x n GLU 66 N -2.88 0.74 -2.55 4.82 1.02 -1.26 -4.86 120.64 115.68 2g3x n GLU 66 Ca 0.08 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 2g3x n GLU 66 Cb 0.60 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 2g3x n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2g3x n GLY 67 N 0.88 -1.11 3.65 0.62 0.00 -1.19 -4.95 105.19 103.08 2g3x n GLY 67 Ca 0.15 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 2g3x n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g3x s ILE 68 N -2.04 5.21 0.22 -0.61 1.01 -1.26 -0.55 121.20 123.18 2g3x s ILE 68 Ca 0.00 0.13 0.12 0.00 0.00 0.00 0.00 60.65 60.89 2g3x s ILE 68 Cb 0.00 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.01 2g3x s ILE 68 CO 0.00 0.38 -0.23 -0.31 0.00 0.00 0.00 174.94 174.78 2g3x s TYR 69 N 0.88 2.30 -0.06 3.97 1.51 0.27 -1.12 117.35 125.10 2g3x s TYR 69 Ca 0.07 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 2g3x s TYR 69 Cb -0.13 -1.10 0.02 0.00 -0.11 0.00 0.00 41.96 40.64 2g3x s TYR 69 CO 0.03 0.56 -0.07 0.21 -1.11 0.00 0.00 175.55 175.17 2g3x s LYS 70 N -2.91 1.14 -0.29 -0.62 2.20 -0.48 -1.48 119.74 117.30 2g3x s LYS 70 Ca 0.23 -0.19 -0.07 0.00 -0.36 0.00 0.00 55.97 55.58 2g3x s LYS 70 Cb -0.07 -1.09 -0.00 0.00 -1.51 0.00 0.00 37.83 35.16 2g3x s LYS 70 CO 0.11 -0.08 0.09 0.08 -0.36 0.00 0.00 175.35 175.19 2g3x s VAL 71 N 1.00 4.13 -0.12 4.02 1.01 0.14 -0.84 120.40 129.74 2g3x s VAL 71 Ca -0.09 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 2g3x s VAL 71 Cb -0.14 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 2g3x s VAL 71 CO -0.00 0.13 -0.06 -1.61 0.00 0.00 0.00 175.10 173.57 2g3x s GLU 72 N 1.54 3.33 -0.23 2.72 2.02 0.34 -0.85 118.70 127.57 2g3x s GLU 72 Ca 0.04 -0.55 -0.04 0.00 0.02 0.00 0.00 54.97 54.44 2g3x s GLU 72 Cb -0.17 -2.77 -0.00 0.00 0.10 0.00 0.00 34.13 31.29 2g3x s GLU 72 CO 0.03 0.38 -0.03 0.42 0.02 0.00 0.00 175.26 176.09 2g3x s ILE 73 N -0.04 3.44 -0.53 -1.63 1.09 -0.93 -1.04 121.20 121.57 2g3x s ILE 73 Ca 0.00 -0.54 -0.05 0.00 -1.10 0.00 0.00 60.65 58.96 2g3x s ILE 73 Cb -0.13 -2.61 0.14 0.00 -1.06 0.00 0.00 42.46 38.80 2g3x s ILE 73 CO 0.03 0.36 0.36 -1.81 -0.10 0.00 0.00 174.94 173.78 2g3x s ASP 74 N 1.47 5.44 0.18 3.58 -0.00 -0.64 -3.67 116.67 123.04 2g3x s ASP 74 Ca 0.05 -2.34 -0.20 0.00 -0.00 0.00 0.00 52.55 50.05 2g3x s ASP 74 Cb -0.15 -1.90 -0.08 0.00 -0.00 0.00 0.00 42.92 40.79 2g3x s ASP 74 CO -0.02 -0.52 0.69 0.42 -0.00 0.00 0.00 175.17 175.74 2g3x s THR 75 N 0.70 4.59 -0.10 -1.27 -4.23 -1.26 -3.88 115.64 110.18 2g3x s THR 75 Ca 0.11 1.31 -0.02 0.00 -1.18 0.00 0.00 61.69 61.92 2g3x s THR 75 Cb -0.22 -3.91 0.04 0.00 1.34 0.00 0.00 72.50 69.75 2g3x s THR 75 CO -0.03 0.34 0.02 -1.59 -0.54 0.00 0.00 174.62 172.81 2g3x s LYS 76 N -1.65 0.52 -1.47 3.99 -2.85 -1.26 -4.77 119.74 112.25 2g3x s LYS 76 Ca 0.38 0.00 -0.06 0.00 -1.00 0.00 0.00 55.97 55.29 2g3x s LYS 76 Cb -0.18 -1.25 0.03 0.00 -2.06 0.00 0.00 37.83 34.37 2g3x s LYS 76 CO 0.22 -0.41 0.61 0.43 0.10 0.00 0.00 175.35 176.30 2g3x n SER 77 N 5.15 -5.42 0.14 0.03 7.64 -1.26 -4.88 113.62 115.02 2g3x n SER 77 Ca -0.07 -0.34 -0.24 0.00 1.01 0.00 0.00 58.87 59.23 2g3x n SER 77 Cb 0.49 -4.39 -0.16 0.00 -1.01 0.00 0.00 64.21 59.15 2g3x n SER 77 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2g3x h TYR 78 N -1.36 0.93 0.18 1.43 3.20 -2.00 -3.37 116.97 115.98 2g3x h TYR 78 Ca -0.51 -0.68 -0.31 0.00 3.14 0.00 0.00 58.73 60.38 2g3x h TYR 78 Cb 1.34 -0.04 0.02 0.00 1.54 0.00 0.00 36.73 39.59 2g3x h TYR 78 CO 0.57 1.56 -1.41 -1.49 -1.64 0.00 0.00 178.16 175.75 2g3x h TRP 79 N 0.14 0.68 -6.72 -3.82 -0.00 -1.98 -3.47 115.95 100.78 2g3x h TRP 79 Ca -0.26 -0.49 -0.54 0.00 -0.00 0.00 0.00 58.89 57.60 2g3x h TRP 79 Cb 2.15 -0.03 -0.26 0.00 -0.00 0.00 0.00 29.16 31.03 2g3x h TRP 79 CO 0.12 1.42 -0.81 1.63 -0.00 0.00 0.00 178.44 180.80 2g3x n LYS 80 N -3.59 -0.84 -3.22 0.49 5.02 -1.26 -4.88 118.16 109.88 2g3x n LYS 80 Ca -0.14 0.10 -0.11 0.00 -2.02 0.00 0.00 58.31 56.15 2g3x n LYS 80 Cb 1.06 -3.61 -0.04 0.00 -0.02 0.00 0.00 35.03 32.42 2g3x n LYS 80 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2g3x n ALA 81 N -3.83 0.26 -0.75 7.82 0.00 -1.26 -5.15 120.51 117.59 2g3x n ALA 81 Ca -0.08 -1.09 -0.34 0.00 0.00 0.00 0.00 53.44 51.93 2g3x n ALA 81 Cb 0.49 0.88 0.14 0.00 0.00 0.00 0.00 19.45 20.96 2g3x n ALA 81 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2g3x n LEU 82 N 0.00 -2.45 0.00 0.00 -0.00 -1.26 -4.99 117.00 108.29 2g3x n LEU 82 Ca 0.03 -0.07 0.00 0.00 -0.00 0.00 0.00 56.01 55.97 2g3x n LEU 82 Cb 0.35 -0.86 0.00 0.00 -0.00 0.00 0.00 43.42 42.91 2g3x n LEU 82 CO 0.18 -3.04 0.00 0.61 -0.00 0.00 0.00 177.39 175.14 2g3x n GLY 83 N 2.36 -1.36 3.72 -3.96 0.00 -1.26 -5.07 105.19 99.62 2g3x n GLY 83 Ca 0.00 0.48 -0.43 0.00 0.00 0.00 0.00 46.02 46.08 2g3x n GLY 83 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2g3x n SER 84 N 0.00 3.58 -3.07 1.61 7.64 -1.26 -2.08 113.62 120.04 2g3x n SER 84 Ca 0.00 1.13 -0.13 0.00 1.01 0.00 0.00 58.87 60.88 2g3x n SER 84 Cb 0.00 -1.54 0.06 0.00 -1.01 0.00 0.00 64.21 61.72 2g3x n SER 84 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2g3x n SER 85 N 2.51 -6.21 -4.68 6.43 7.64 -1.26 -4.85 113.62 113.22 2g3x n SER 85 Ca 0.11 -0.63 -0.53 0.00 1.01 0.00 0.00 58.87 58.83 2g3x n SER 85 Cb 0.35 -4.74 -0.06 0.00 -1.01 0.00 0.00 64.21 58.75 2g3x n SER 85 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2g3x n PRO 86 N -3.03 1.47 0.02 1.43 -0.04 -0.89 -4.89 135.00 129.09 2g3x n PRO 86 Ca -0.06 0.54 -0.07 0.00 -0.04 0.00 0.00 63.50 63.87 2g3x n PRO 86 Cb 0.61 -2.26 0.11 0.00 -0.04 0.00 0.00 33.50 31.91 2g3x n PRO 86 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2g3x h PHE 87 N 7.01 0.57 -6.28 0.54 3.57 -1.87 -3.47 116.94 117.01 2g3x h PHE 87 Ca -0.47 -0.19 -0.46 0.00 3.53 0.00 0.00 57.97 60.39 2g3x h PHE 87 Cb 1.31 -0.12 0.01 0.00 2.79 0.00 0.00 35.95 39.94 2g3x h PHE 87 CO 0.75 0.86 -0.86 0.72 -2.23 0.00 0.00 178.31 177.55 2g3x n HIS 88 N -3.98 -1.79 -2.08 0.41 8.25 -1.26 -4.88 115.22 109.89 2g3x n HIS 88 Ca -0.02 0.78 -0.40 0.00 -0.26 0.00 0.00 57.72 57.81 2g3x n HIS 88 Cb 0.56 -4.04 -0.01 0.00 1.12 0.00 0.00 29.99 27.61 2g3x n HIS 88 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2g3x s GLU 89 N -6.23 4.19 -0.13 -0.41 2.12 -1.26 -5.04 118.70 111.94 2g3x s GLU 89 Ca 0.03 2.21 0.00 0.00 0.36 0.00 0.00 54.97 57.57 2g3x s GLU 89 Cb -0.01 -2.94 0.02 0.00 0.26 0.00 0.00 34.13 31.47 2g3x s GLU 89 CO 0.85 -0.33 -0.11 -1.01 -0.54 0.00 0.00 175.26 174.13 2g3x s HIS 90 N -1.19 1.79 0.21 5.30 3.76 -1.26 -4.71 115.29 119.19 2g3x s HIS 90 Ca 0.52 -0.95 -0.30 0.00 -0.15 0.00 0.00 55.06 54.19 2g3x s HIS 90 Cb -0.39 -1.39 -0.08 0.00 1.11 0.00 0.00 32.58 31.82 2g3x s HIS 90 CO 0.52 -0.58 1.08 0.00 -0.85 0.00 0.00 174.74 174.92 2g3x s ALA 91 N 1.57 3.37 -0.27 -1.40 0.00 -1.24 -4.94 121.76 118.85 2g3x s ALA 91 Ca 0.04 0.81 -0.03 0.00 0.00 0.00 0.00 51.96 52.79 2g3x s ALA 91 Cb -0.13 -3.33 0.09 0.00 0.00 0.00 0.00 23.12 19.75 2g3x s ALA 91 CO -0.09 -0.16 0.10 -1.21 0.00 0.00 0.00 175.76 174.40 2g3x s GLU 92 N -0.68 0.44 -0.40 0.00 0.41 -1.26 -2.18 118.70 115.03 2g3x s GLU 92 Ca 0.47 -0.67 -0.10 0.00 -0.41 0.00 0.00 54.97 54.26 2g3x s GLU 92 Cb -0.30 -1.66 0.06 0.00 -1.78 0.00 0.00 34.13 30.46 2g3x s GLU 92 CO 0.36 -0.92 0.24 0.08 -0.49 0.00 0.00 175.26 174.53 2g3x s VAL 93 N 1.89 4.32 -0.21 2.63 1.01 -0.03 -4.94 120.40 125.08 2g3x s VAL 93 Ca 0.07 -1.24 -0.06 0.00 0.00 0.00 0.00 61.98 60.75 2g3x s VAL 93 Cb -0.17 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2g3x s VAL 93 CO -0.26 -0.42 0.04 -0.69 0.00 0.00 0.00 175.10 173.77 2g3x s VAL 94 N 1.46 4.33 0.16 2.92 1.01 -1.26 -0.68 120.40 128.35 2g3x s VAL 94 Ca 0.02 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 2g3x s VAL 94 Cb -0.22 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 2g3x s VAL 94 CO 0.03 0.41 0.24 0.72 0.00 0.00 0.00 175.10 176.51 2g3x s PHE 95 N 0.94 0.53 -0.19 5.22 -0.71 -0.55 -5.00 117.98 118.23 2g3x s PHE 95 Ca 0.03 -0.89 -0.05 0.00 -1.04 0.00 0.00 56.93 54.97 2g3x s PHE 95 Cb -0.14 -0.16 -0.03 0.00 -1.21 0.00 0.00 43.02 41.48 2g3x s PHE 95 CO 0.02 -0.69 0.01 0.99 -1.34 0.00 0.00 175.22 174.21 2g3x s THR 96 N -4.00 4.13 -0.08 -4.49 2.01 -1.26 -0.56 115.64 111.39 2g3x s THR 96 Ca 0.20 -0.26 -0.29 0.00 0.31 0.00 0.00 61.69 61.65 2g3x s THR 96 Cb 0.04 -2.85 -0.02 0.00 0.01 0.00 0.00 72.50 69.68 2g3x s THR 96 CO 0.02 0.45 0.98 0.00 -0.69 0.00 0.00 174.62 175.37 2g3x s ALA 97 N 0.74 3.34 -0.12 7.40 0.00 0.28 -4.95 121.76 128.45 2g3x s ALA 97 Ca 0.00 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.38 2g3x s ALA 97 Cb -0.14 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.61 2g3x s ALA 97 CO 0.02 -0.49 -0.18 1.21 0.00 0.00 0.00 175.76 176.33 2g3x s ASN 98 N 1.07 2.70 0.35 0.00 2.47 -1.26 -3.17 114.94 117.09 2g3x s ASN 98 Ca 0.49 -0.50 0.27 0.00 0.42 0.00 0.00 52.86 53.54 2g3x s ASN 98 Cb -0.19 -1.23 1.01 0.00 -1.45 0.00 0.00 41.25 39.40 2g3x s ASN 98 CO 0.21 0.03 1.79 0.44 -3.72 0.00 0.00 177.10 175.85 2g3x h ASP 99 N 7.42 0.00 0.00 -4.21 3.45 -1.95 -3.16 116.42 117.97 2g3x h ASP 99 Ca -0.32 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.14 2g3x h ASP 99 Cb 1.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 2g3x h ASP 99 CO 0.52 0.00 0.00 -1.54 -1.57 0.00 0.00 179.24 176.65 2g3x n SER 100 N -2.56 0.00 -2.89 6.45 3.41 -1.26 -4.84 113.62 111.93 2g3x n SER 100 Ca 0.02 -1.17 -0.13 0.00 -0.26 0.00 0.00 58.87 57.33 2g3x n SER 100 Cb 0.31 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 2g3x n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2g3x n GLY 101 N 0.80 3.86 3.30 5.00 0.00 -1.20 -5.12 105.19 111.84 2g3x n GLY 101 Ca 0.18 -2.17 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 2g3x n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2g3x n PRO 102 N -0.48 0.07 0.02 1.61 -0.02 -1.26 -4.94 135.00 130.00 2g3x n PRO 102 Ca -0.06 0.05 -0.01 0.00 -2.02 0.00 0.00 63.50 61.45 2g3x n PRO 102 Cb 0.27 -1.48 -0.09 0.00 -0.02 0.00 0.00 33.50 32.17 2g3x n PRO 102 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2g3x n ARG 103 N 0.29 0.62 -3.55 -0.52 3.00 -1.06 -4.80 116.66 110.64 2g3x n ARG 103 Ca 0.06 0.23 -0.37 0.00 -0.01 0.00 0.00 57.85 57.76 2g3x n ARG 103 Cb 0.51 -1.80 -0.09 0.00 0.00 0.00 0.00 32.46 31.09 2g3x n ARG 103 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2g3x s ARG 104 N -2.88 4.13 -0.13 5.56 1.81 0.86 -4.79 118.95 123.51 2g3x s ARG 104 Ca -0.03 -0.07 -0.01 0.00 -1.72 0.00 0.00 55.73 53.90 2g3x s ARG 104 Cb 0.09 -3.53 -0.02 0.00 -0.45 0.00 0.00 34.95 31.04 2g3x s ARG 104 CO 0.81 0.04 -0.10 0.71 -0.68 0.00 0.00 175.30 176.09 2g3x s TYR 105 N 1.09 2.88 -0.16 -0.53 1.51 0.09 -0.97 117.35 121.26 2g3x s TYR 105 Ca 0.12 -0.52 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 2g3x s TYR 105 Cb -0.14 -1.87 0.02 0.00 -0.11 0.00 0.00 41.96 39.87 2g3x s TYR 105 CO 0.05 -0.14 -0.14 0.99 -1.11 0.00 0.00 175.55 175.20 2g3x s THR 106 N 0.31 1.63 -0.33 -0.71 2.01 -0.57 -0.73 115.64 117.25 2g3x s THR 106 Ca -0.08 -0.69 -0.10 0.00 0.31 0.00 0.00 61.69 61.12 2g3x s THR 106 Cb -0.15 -1.53 0.00 0.00 0.01 0.00 0.00 72.50 70.83 2g3x s THR 106 CO 0.05 0.44 0.18 -0.63 -0.69 0.00 0.00 174.62 173.97 2g3x s ILE 107 N 1.46 4.65 -0.08 1.82 -1.09 0.23 -1.27 121.20 126.92 2g3x s ILE 107 Ca 0.04 -0.55 -0.02 0.00 -2.23 0.00 0.00 60.65 57.89 2g3x s ILE 107 Cb -0.13 -3.45 -0.03 0.00 -1.58 0.00 0.00 42.46 37.26 2g3x s ILE 107 CO -0.11 -0.04 0.03 0.00 -1.23 0.00 0.00 174.94 173.59 2g3x s ALA 108 N 1.60 3.40 -0.03 9.38 0.00 -0.40 -1.45 121.76 134.25 2g3x s ALA 108 Ca 0.04 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.23 2g3x s ALA 108 Cb -0.18 -1.56 0.01 0.00 0.00 0.00 0.00 23.12 21.39 2g3x s ALA 108 CO 0.07 0.60 -0.06 0.00 0.00 0.00 0.00 175.76 176.37 2g3x s ALA 109 N -0.93 0.67 -0.23 0.00 0.00 -0.13 -1.53 121.76 119.61 2g3x s ALA 109 Ca 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 2g3x s ALA 109 Cb -0.11 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.72 2g3x s ALA 109 CO 0.03 0.07 -0.09 -1.17 0.00 0.00 0.00 175.76 174.61 2g3x s LEU 110 N 0.41 2.91 -0.05 0.00 2.96 0.16 -0.34 118.68 124.73 2g3x s LEU 110 Ca -0.06 -0.72 -0.02 0.00 -0.22 0.00 0.00 54.13 53.11 2g3x s LEU 110 Cb -0.10 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 2g3x s LEU 110 CO 0.00 -0.08 0.05 -0.76 -1.32 0.00 0.00 176.35 174.24 2g3x s LEU 111 N 1.35 3.80 0.08 -0.68 1.43 -0.24 -1.64 118.68 122.78 2g3x s LEU 111 Ca 0.02 0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 53.27 2g3x s LEU 111 Cb -0.15 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 2g3x s LEU 111 CO -0.06 0.34 0.04 -0.44 0.23 0.00 0.00 176.35 176.46 2g3x s SER 112 N -1.28 0.37 0.23 2.29 0.01 -0.40 -1.24 113.70 113.68 2g3x s SER 112 Ca 0.18 -0.96 -0.06 0.00 1.31 0.00 0.00 55.95 56.42 2g3x s SER 112 Cb -0.12 0.25 0.37 0.00 0.21 0.00 0.00 66.02 66.74 2g3x s SER 112 CO 0.07 -0.66 1.78 -0.65 0.41 0.00 0.00 173.24 174.20 2g3x h PRO 113 N 3.00 0.62 -0.14 12.44 0.11 -2.01 -3.09 132.00 142.93 2g3x h PRO 113 Ca -0.34 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2g3x h PRO 113 Cb 1.17 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2g3x h PRO 113 CO 0.62 0.41 0.00 0.66 -0.21 0.00 0.00 178.00 179.48 2g3x n TYR 114 N -4.84 0.34 -3.51 0.65 4.02 -1.26 -4.52 117.16 108.03 2g3x n TYR 114 Ca 0.12 -0.76 -0.12 0.00 -0.01 0.00 0.00 57.90 57.14 2g3x n TYR 114 Cb 0.29 -0.15 -0.03 0.00 -0.02 0.00 0.00 39.34 39.43 2g3x n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2g3x s SER 115 N -1.83 -0.44 0.02 7.72 0.15 -1.17 -5.14 113.70 113.01 2g3x s SER 115 Ca 0.26 -0.09 -0.23 0.00 0.70 0.00 0.00 55.95 56.59 2g3x s SER 115 Cb 0.20 0.54 0.05 0.00 -1.71 0.00 0.00 66.02 65.11 2g3x s SER 115 CO 0.06 -0.90 0.52 -0.72 1.20 0.00 0.00 173.24 173.40 2g3x s TYR 116 N -3.61 -0.43 0.05 3.44 -0.85 -1.26 -1.28 117.35 113.41 2g3x s TYR 116 Ca 0.01 0.56 0.05 0.00 -0.52 0.00 0.00 57.07 57.17 2g3x s TYR 116 Cb 0.00 0.32 -0.03 0.00 0.38 0.00 0.00 41.96 42.64 2g3x s TYR 116 CO -0.11 -0.60 -0.13 -1.54 -1.52 0.00 0.00 175.55 171.64 2g3x s SER 117 N -1.75 1.57 -0.00 -0.18 1.04 -0.65 -4.99 113.70 108.74 2g3x s SER 117 Ca -0.07 -0.54 -0.03 0.00 0.48 0.00 0.00 55.95 55.79 2g3x s SER 117 Cb -0.01 -0.06 -0.00 0.00 0.10 0.00 0.00 66.02 66.04 2g3x s SER 117 CO 0.01 -0.04 0.06 0.28 0.98 0.00 0.00 173.24 174.53 2g3x s THR 118 N -1.09 0.06 0.03 2.02 -1.32 -1.26 -0.67 115.64 113.41 2g3x s THR 118 Ca -0.01 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 59.99 2g3x s THR 118 Cb -0.09 -0.25 -0.02 0.00 -1.51 0.00 0.00 72.50 70.63 2g3x s THR 118 CO 0.02 -0.27 -0.04 -0.89 -2.21 0.00 0.00 174.62 171.23 2g3x s THR 119 N -0.83 0.21 -0.14 5.08 2.01 -0.58 -5.00 115.64 116.39 2g3x s THR 119 Ca -0.09 -1.01 -0.00 0.00 0.31 0.00 0.00 61.69 60.89 2g3x s THR 119 Cb -0.06 -0.43 -0.01 0.00 0.01 0.00 0.00 72.50 72.02 2g3x s THR 119 CO 0.00 -0.51 -0.13 0.00 -0.69 0.00 0.00 174.62 173.29 2g3x s ALA 120 N -1.62 2.59 -0.29 7.40 0.00 -1.26 -1.28 121.76 127.30 2g3x s ALA 120 Ca -0.13 -0.94 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 2g3x s ALA 120 Cb -0.09 -1.23 0.06 0.00 0.00 0.00 0.00 23.12 21.86 2g3x s ALA 120 CO -0.01 0.15 -0.03 0.08 0.00 0.00 0.00 175.76 175.95 2g3x s VAL 121 N 0.52 2.72 -0.25 0.00 1.01 -0.40 -4.99 120.40 119.00 2g3x s VAL 121 Ca -0.09 -1.53 -0.06 0.00 0.00 0.00 0.00 61.98 60.30 2g3x s VAL 121 Cb -0.16 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 2g3x s VAL 121 CO 0.04 -0.12 0.05 -0.69 0.00 0.00 0.00 175.10 174.37 2g3x s VAL 122 N 1.19 4.04 0.32 2.92 1.01 -1.26 -1.51 120.40 127.11 2g3x s VAL 122 Ca -0.05 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.63 2g3x s VAL 122 Cb -0.20 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 2g3x s VAL 122 CO -0.03 0.30 0.23 0.42 0.00 0.00 0.00 175.10 176.02 2g3x s THR 123 N 1.56 0.11 -0.45 3.92 -4.23 -0.14 -4.83 115.64 111.58 2g3x s THR 123 Ca 0.05 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.60 2g3x s THR 123 Cb -0.15 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.24 2g3x s THR 123 CO 0.02 0.00 0.61 0.59 -0.54 0.00 0.00 174.62 175.30