#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s s ILE 2 N 0.00 2.74 0.23 -0.61 -4.36 -1.26 -5.13 121.20 112.81 3g4s s ILE 2 Ca 0.00 -1.98 0.11 0.00 -0.26 0.00 0.00 60.65 58.52 3g4s s ILE 2 Cb 0.00 -2.78 -0.05 0.00 1.25 0.00 0.00 42.46 40.89 3g4s s ILE 2 CO 0.00 -0.23 -0.20 -0.44 0.24 0.00 0.00 174.94 174.30 3g4s s SER 3 N -3.70 3.61 0.03 4.36 0.01 -1.26 -5.08 113.70 111.67 3g4s s SER 3 Ca 0.34 -0.90 -0.31 0.00 1.31 0.00 0.00 55.95 56.39 3g4s s SER 3 Cb -0.01 -0.33 -0.10 0.00 0.21 0.00 0.00 66.02 65.78 3g4s s SER 3 CO 0.19 0.08 1.92 -1.22 0.41 0.00 0.00 173.24 174.62 3g4s n TYR 4 N -0.17 2.49 0.59 2.43 4.02 -1.26 -4.88 117.16 120.38 3g4s n TYR 4 Ca -0.09 -0.24 0.11 0.00 -0.01 0.00 0.00 57.90 57.66 3g4s n TYR 4 Cb 0.58 -2.76 0.43 0.00 -0.02 0.00 0.00 39.34 37.57 3g4s n TYR 4 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3g4s n SER 5 N 6.88 0.29 -4.41 7.72 3.41 -1.26 -4.79 113.62 121.45 3g4s n SER 5 Ca 0.20 0.55 -0.21 0.00 -0.26 0.00 0.00 58.87 59.15 3g4s n SER 5 Cb 0.37 -0.62 -0.10 0.00 -0.26 0.00 0.00 64.21 63.60 3g4s n SER 5 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3g4s s VAL 6 N -3.10 2.07 0.35 -3.33 1.01 -1.26 -5.16 120.40 110.98 3g4s s VAL 6 Ca 0.08 -2.29 0.03 0.00 0.00 0.00 0.00 61.98 59.80 3g4s s VAL 6 Cb 0.12 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 3g4s s VAL 6 CO 0.40 -0.49 0.52 -1.61 0.00 0.00 0.00 175.10 173.92 3g4s s GLU 7 N -3.59 3.27 -0.10 2.72 2.02 -1.26 -5.13 118.70 116.63 3g4s s GLU 7 Ca 0.26 -0.63 -0.23 0.00 0.02 0.00 0.00 54.97 54.39 3g4s s GLU 7 Cb -0.02 -2.72 0.05 0.00 0.10 0.00 0.00 34.13 31.54 3g4s s GLU 7 CO 0.11 0.07 0.55 0.00 0.02 0.00 0.00 175.26 176.01 3g4s s ALA 8 N -2.28 -1.41 -0.41 5.21 0.00 -1.26 -5.14 121.76 116.47 3g4s s ALA 8 Ca 0.42 1.17 -0.19 0.00 0.00 0.00 0.00 51.96 53.37 3g4s s ALA 8 Cb -0.10 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.75 3g4s s ALA 8 CO 0.34 -0.31 0.53 0.34 0.00 0.00 0.00 175.76 176.66 3g4s s ASP 9 N -0.73 6.26 0.58 0.00 -1.08 -1.26 -4.98 116.67 115.46 3g4s s ASP 9 Ca -0.08 -0.43 0.31 0.00 -0.52 0.00 0.00 52.55 51.83 3g4s s ASP 9 Cb -0.03 -2.27 1.40 0.00 -1.46 0.00 0.00 42.92 40.57 3g4s s ASP 9 CO 0.06 -0.64 1.75 1.55 0.52 0.00 0.00 175.17 178.41 3g4s h PRO 10 N 8.74 0.00 0.00 4.34 0.13 -2.01 -0.93 132.00 142.26 3g4s h PRO 10 Ca -0.26 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.79 3g4s h PRO 10 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3g4s h PRO 10 CO 0.83 0.00 -0.37 -0.44 -0.23 0.00 0.00 178.00 177.79 3g4s h ASP 11 N 0.00 0.00 -0.01 1.44 3.32 -2.03 -3.27 116.42 115.88 3g4s h ASP 11 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3g4s h ASP 11 Cb 1.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.45 3g4s h ASP 11 CO -0.00 0.37 0.00 0.35 -1.72 0.00 0.00 179.24 178.24 3g4s n THR 12 N -3.35 0.73 -4.36 0.35 -2.24 -0.47 -5.05 114.28 99.88 3g4s n THR 12 Ca 0.01 -0.86 -0.18 0.00 -2.27 0.00 0.00 64.05 60.74 3g4s n THR 12 Cb 0.58 0.64 -0.10 0.00 -2.10 0.00 0.00 70.33 69.34 3g4s n THR 12 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3g4s s THR 13 N -0.74 0.72 -0.17 4.28 -1.32 -0.51 -2.00 115.64 115.91 3g4s s THR 13 Ca 0.01 -2.00 -0.07 0.00 -1.21 0.00 0.00 61.69 58.42 3g4s s THR 13 Cb 0.00 -2.66 0.07 0.00 -1.51 0.00 0.00 72.50 68.40 3g4s s THR 13 CO 0.00 0.00 0.36 0.00 -2.21 0.00 0.00 174.62 172.78 3g4s s ALA 14 N -3.59 -0.94 0.17 11.08 0.00 -0.57 -4.78 121.76 123.13 3g4s s ALA 14 Ca 0.37 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.69 3g4s s ALA 14 Cb 0.08 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 3g4s s ALA 14 CO 0.15 -0.56 0.26 0.15 0.00 0.00 0.00 175.76 175.76 3g4s s LYS 15 N 2.14 3.32 0.06 0.00 1.02 -1.26 0.08 119.74 125.10 3g4s s LYS 15 Ca -0.04 -0.68 -0.23 0.00 0.02 0.00 0.00 55.97 55.04 3g4s s LYS 15 Cb -0.11 -2.88 0.05 0.00 -0.52 0.00 0.00 37.83 34.37 3g4s s LYS 15 CO -0.11 0.50 0.53 0.00 -0.92 0.00 0.00 175.35 175.35 3g4s s ALA 16 N -1.79 -1.36 -0.01 5.17 0.00 0.13 -4.84 121.76 119.06 3g4s s ALA 16 Ca 0.34 0.60 -0.24 0.00 0.00 0.00 0.00 51.96 52.66 3g4s s ALA 16 Cb -0.10 0.43 0.05 0.00 0.00 0.00 0.00 23.12 23.49 3g4s s ALA 16 CO 0.27 -0.53 0.53 1.41 0.00 0.00 0.00 175.76 177.45 3g4s s MET 17 N -2.56 0.95 -0.06 0.00 1.75 -1.26 -1.16 119.30 116.96 3g4s s MET 17 Ca -0.05 -0.01 0.05 0.00 -1.25 0.00 0.00 55.69 54.43 3g4s s MET 17 Cb -0.01 0.44 -0.02 0.00 2.84 0.00 0.00 34.83 38.08 3g4s s MET 17 CO -0.03 -0.30 -0.19 -0.51 -0.65 0.00 0.00 175.02 173.34 3g4s s LEU 18 N -1.46 2.44 -0.03 4.11 1.43 0.58 -4.97 118.68 120.78 3g4s s LEU 18 Ca -0.10 -0.34 0.07 0.00 -1.03 0.00 0.00 54.13 52.73 3g4s s LEU 18 Cb -0.02 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 3g4s s LEU 18 CO 0.05 0.29 -0.23 -0.13 0.23 0.00 0.00 176.35 176.56 3g4s s ARG 19 N -0.43 2.02 -1.58 1.70 1.81 -1.26 -1.88 118.95 119.33 3g4s s ARG 19 Ca 0.05 -0.83 -0.19 0.00 -1.72 0.00 0.00 55.73 53.04 3g4s s ARG 19 Cb -0.12 -1.87 0.19 0.00 -0.45 0.00 0.00 34.95 32.69 3g4s s ARG 19 CO 0.02 0.45 0.55 0.39 -0.68 0.00 0.00 175.30 176.02 3g4s n GLU 20 N 2.66 -1.57 -2.22 3.54 1.02 -0.85 -4.89 120.64 118.32 3g4s n GLU 20 Ca -0.16 0.18 -0.42 0.00 -0.02 0.00 0.00 57.16 56.74 3g4s n GLU 20 Cb 0.52 -4.78 -0.03 0.00 -0.02 0.00 0.00 31.44 27.13 3g4s n GLU 20 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3g4s s ARG 21 N -6.83 4.28 -1.16 3.49 1.81 0.36 -4.50 118.95 116.40 3g4s s ARG 21 Ca 0.69 1.97 -0.16 0.00 -1.72 0.00 0.00 55.73 56.50 3g4s s ARG 21 Cb -0.40 -3.59 0.14 0.00 -0.45 0.00 0.00 34.95 30.65 3g4s s ARG 21 CO 0.84 -0.59 1.42 -0.65 -0.68 0.00 0.00 175.30 175.65 3g4s s GLN 22 N 2.49 3.95 0.24 3.54 -0.21 -1.26 0.69 119.66 129.11 3g4s s GLN 22 Ca 0.64 -2.25 0.02 0.00 0.02 0.00 0.00 55.36 53.79 3g4s s GLN 22 Cb -0.31 -5.13 -0.01 0.00 1.00 0.00 0.00 33.01 28.57 3g4s s GLN 22 CO 0.26 -1.87 0.27 0.00 -2.12 0.00 0.00 175.29 171.84 3g4s n MET 23 N 6.43 0.39 -2.94 2.91 0.00 -1.18 -5.00 117.12 117.73 3g4s n MET 23 Ca 0.36 -2.19 -0.42 0.00 0.00 0.00 0.00 57.70 55.45 3g4s n MET 23 Cb 0.45 1.93 -0.05 0.00 0.00 0.00 0.00 33.22 35.56 3g4s n MET 23 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3g4s s SER 24 N -2.60 6.69 0.18 3.17 0.15 -1.26 -4.34 113.70 115.69 3g4s s SER 24 Ca 0.25 0.72 -0.13 0.00 0.70 0.00 0.00 55.95 57.49 3g4s s SER 24 Cb 0.00 -2.41 0.14 0.00 -1.71 0.00 0.00 66.02 62.05 3g4s s SER 24 CO 0.18 -0.60 1.80 0.15 1.20 0.00 0.00 173.24 175.97 3g4s h PHE 25 N 8.05 0.53 -0.10 3.44 3.57 -1.95 -1.71 116.94 128.76 3g4s h PHE 25 Ca -0.24 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.30 3g4s h PHE 25 Cb 1.10 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 3g4s h PHE 25 CO 0.77 0.27 0.07 0.87 -2.23 0.00 0.00 178.31 178.06 3g4s h LYS 26 N 0.56 0.05 0.26 1.11 1.57 -2.01 -1.12 116.57 116.99 3g4s h LYS 26 Ca 0.23 -0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.67 3g4s h LYS 26 Cb 0.11 -0.01 0.04 0.00 0.08 0.00 0.00 32.23 32.45 3g4s h LYS 26 CO -0.14 0.03 -1.48 0.45 -0.57 0.00 0.00 179.45 177.74 3g4s h HIS 27 N 0.05 1.00 0.00 -1.35 3.86 -1.80 -3.24 115.15 113.67 3g4s h HIS 27 Ca 0.04 -0.73 -0.01 0.00 -1.16 0.00 0.00 60.37 58.52 3g4s h HIS 27 Cb 0.11 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 3g4s h HIS 27 CO -0.00 1.57 -0.03 0.77 0.86 0.00 0.00 177.93 181.09 3g4s h SER 28 N 0.15 0.00 0.31 2.45 0.02 -0.38 -1.29 113.55 114.82 3g4s h SER 28 Ca -0.26 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 3g4s h SER 28 Cb 2.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.72 3g4s h SER 28 CO 0.28 0.03 -0.15 0.11 -1.14 0.00 0.00 176.83 175.96 3g4s h LYS 29 N 0.00 -0.40 -0.27 3.45 1.57 -1.35 -2.72 116.57 116.86 3g4s h LYS 29 Ca -0.00 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3g4s h LYS 29 Cb 0.12 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3g4s h LYS 29 CO 0.00 -0.16 0.16 0.00 -0.57 0.00 0.00 179.45 178.88 3g4s h ALA 30 N -0.87 1.78 -0.15 3.86 0.00 -1.51 0.01 119.26 122.38 3g4s h ALA 30 Ca -0.04 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3g4s h ALA 30 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3g4s h ALA 30 CO 0.07 0.20 -0.39 0.82 0.00 0.00 0.00 179.25 179.95 3g4s h ILE 31 N 0.36 1.35 0.50 0.00 2.04 -1.36 -2.47 117.51 117.93 3g4s h ILE 31 Ca 0.10 -1.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.28 3g4s h ILE 31 Cb -0.01 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 3g4s h ILE 31 CO -0.02 0.50 -0.37 0.00 0.00 0.00 0.00 178.15 178.26 3g4s h ALA 32 N 0.54 -0.88 -0.91 1.87 0.00 -0.98 -1.23 119.26 117.68 3g4s h ALA 32 Ca -0.01 -0.16 0.19 0.00 0.00 0.00 0.00 54.91 54.93 3g4s h ALA 32 Cb 1.00 0.50 -0.11 0.00 0.00 0.00 0.00 17.79 19.18 3g4s h ALA 32 CO 0.08 -1.02 0.47 -0.09 0.00 0.00 0.00 179.25 178.69 3g4s h ARG 33 N -0.85 0.56 -0.10 0.00 2.43 -1.07 -1.22 114.38 114.13 3g4s h ARG 33 Ca -0.05 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 58.91 3g4s h ARG 33 Cb 0.72 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 3g4s h ARG 33 CO 0.01 0.37 -0.69 1.49 -1.51 0.00 0.00 179.97 179.65 3g4s h GLU 34 N 0.58 0.43 -0.01 0.20 4.57 -1.05 -3.12 114.58 116.17 3g4s h GLU 34 Ca 0.53 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 3g4s h GLU 34 Cb 0.88 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.53 3g4s h GLU 34 CO -0.43 0.96 -0.05 0.44 -1.18 0.00 0.00 179.01 178.75 3g4s n ILE 35 N -3.87 0.00 -2.40 2.32 -5.35 -0.50 -4.81 119.36 104.76 3g4s n ILE 35 Ca -0.04 -0.15 -0.42 0.00 -0.27 0.00 0.00 62.75 61.87 3g4s n ILE 35 Cb 0.68 0.17 -0.03 0.00 -1.74 0.00 0.00 39.64 38.72 3g4s n ILE 35 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3g4s s LYS 36 N -2.15 4.36 0.00 6.28 2.20 -0.94 -2.71 119.74 126.78 3g4s s LYS 36 Ca 0.37 1.77 0.00 0.00 -0.36 0.00 0.00 55.97 57.74 3g4s s LYS 36 Cb 0.21 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 3g4s s LYS 36 CO 0.39 -0.42 0.00 0.41 -0.36 0.00 0.00 175.35 175.37 3g4s n GLY 37 N 3.38 3.15 3.84 5.54 0.00 -1.15 -5.05 105.19 114.91 3g4s n GLY 37 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3g4s n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g4s s LYS 38 N -0.47 2.84 0.38 1.61 1.02 -1.10 -4.64 119.74 119.37 3g4s s LYS 38 Ca 0.00 0.72 -0.23 0.00 0.02 0.00 0.00 55.97 56.49 3g4s s LYS 38 Cb 0.00 -2.00 -0.10 0.00 -0.52 0.00 0.00 37.83 35.21 3g4s s LYS 38 CO 0.00 -1.11 0.93 0.99 -0.92 0.00 0.00 175.35 175.24 3g4s s THR 39 N -3.17 4.34 0.43 2.17 2.01 -1.26 -1.50 115.64 118.66 3g4s s THR 39 Ca 0.58 1.58 0.19 0.00 0.31 0.00 0.00 61.69 64.35 3g4s s THR 39 Cb -0.13 -3.76 0.39 0.00 0.01 0.00 0.00 72.50 69.01 3g4s s THR 39 CO 0.54 -0.13 1.87 0.00 -0.69 0.00 0.00 174.62 176.21 3g4s h ALA 40 N 2.43 2.26 0.19 7.40 0.00 -1.23 0.20 119.26 130.52 3g4s h ALA 40 Ca -0.48 0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.13 3g4s h ALA 40 Cb 1.18 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.98 3g4s h ALA 40 CO 0.63 -0.54 -1.36 0.78 0.00 0.00 0.00 179.25 178.76 3g4s h GLY 41 N 0.36 0.51 1.88 0.00 0.00 -1.81 -1.97 103.07 102.03 3g4s h GLY 41 Ca 0.45 -1.28 -0.10 0.00 0.00 0.00 0.00 47.33 46.41 3g4s h GLY 41 CO -0.15 1.12 -0.41 0.83 0.00 0.00 0.00 176.54 177.92 3g4s h GLU 42 N 0.13 0.14 0.00 4.80 5.08 -1.46 -2.48 114.58 120.80 3g4s h GLU 42 Ca -0.20 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 57.94 3g4s h GLU 42 Cb 2.06 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.29 3g4s h GLU 42 CO 0.25 0.53 -0.75 0.00 -1.00 0.00 0.00 179.01 178.03 3g4s h ALA 43 N 1.46 0.55 0.35 3.43 0.00 -0.69 -2.35 119.26 122.02 3g4s h ALA 43 Ca 0.01 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 3g4s h ALA 43 Cb 0.78 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3g4s h ALA 43 CO 0.06 0.94 -0.17 0.28 0.00 0.00 0.00 179.25 180.37 3g4s h VAL 44 N 0.00 0.49 -0.32 0.00 2.07 -1.07 -2.56 116.25 114.86 3g4s h VAL 44 Ca -0.01 -0.70 0.07 0.00 0.82 0.00 0.00 66.70 66.88 3g4s h VAL 44 Cb 1.53 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 3g4s h VAL 44 CO 0.10 0.10 0.22 0.44 0.02 0.00 0.00 177.57 178.45 3g4s h ASP 45 N -0.94 0.10 0.05 0.57 3.32 -1.53 -0.34 116.42 117.64 3g4s h ASP 45 Ca -0.05 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 3g4s h ASP 45 Cb 0.52 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3g4s h ASP 45 CO 0.08 0.06 -0.02 0.22 -1.72 0.00 0.00 179.24 177.86 3g4s h TYR 46 N 0.11 -0.06 -0.06 4.55 3.20 -1.41 -2.39 116.97 120.91 3g4s h TYR 46 Ca 0.14 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 3g4s h TYR 46 Cb 0.43 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3g4s h TYR 46 CO -0.00 0.22 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.38 3g4s h LEU 47 N -0.34 0.11 -1.34 2.82 3.38 -0.73 -1.16 115.31 118.05 3g4s h LEU 47 Ca -0.01 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3g4s h LEU 47 Cb 0.30 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3g4s h LEU 47 CO 0.01 0.41 -0.31 -0.33 0.09 0.00 0.00 178.44 178.30 3g4s h GLU 48 N 0.10 0.00 0.00 1.13 5.08 -1.00 -0.91 114.58 118.98 3g4s h GLU 48 Ca 0.01 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 3g4s h GLU 48 Cb 0.57 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3g4s h GLU 48 CO 0.04 0.31 -0.83 0.00 -1.00 0.00 0.00 179.01 177.53 3g4s h ALA 49 N 1.69 0.68 0.00 3.43 0.00 -0.77 -3.06 119.26 121.23 3g4s h ALA 49 Ca -0.00 -0.45 -0.24 0.00 0.00 0.00 0.00 54.91 54.22 3g4s h ALA 49 Cb 0.63 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.49 3g4s h ALA 49 CO 0.04 0.54 -0.97 0.28 0.00 0.00 0.00 179.25 179.14 3g4s h VAL 50 N 0.00 1.37 -0.23 0.00 2.07 -0.34 0.31 116.25 119.43 3g4s h VAL 50 Ca -0.06 -2.41 -0.01 0.00 0.82 0.00 0.00 66.70 65.05 3g4s h VAL 50 Cb 1.34 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 33.51 3g4s h VAL 50 CO 0.04 0.72 0.12 0.40 0.02 0.00 0.00 177.57 178.87 3g4s h ILE 51 N 0.27 1.13 0.00 4.57 2.04 -1.24 -2.26 117.51 122.02 3g4s h ILE 51 Ca -0.09 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 3g4s h ILE 51 Cb 1.61 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.63 3g4s h ILE 51 CO 0.17 0.13 -0.16 -0.08 0.00 0.00 0.00 178.15 178.21 3g4s h GLU 52 N 0.25 0.00 -1.36 2.37 4.57 -1.56 -3.47 114.58 115.39 3g4s h GLU 52 Ca 0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 3g4s h GLU 52 Cb 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 3g4s h GLU 52 CO -0.01 0.16 0.00 0.41 -1.18 0.00 0.00 179.01 178.39 3g4s n GLY 53 N 0.12 0.47 0.03 1.92 0.00 -0.60 -5.02 105.19 102.11 3g4s n GLY 53 Ca 0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 46.02 45.64 3g4s n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g4s n ASP 54 N -0.65 3.46 -4.19 1.61 8.00 0.99 -5.00 116.55 120.78 3g4s n ASP 54 Ca 0.00 -0.04 -0.33 0.00 0.71 0.00 0.00 54.79 55.14 3g4s n ASP 54 Cb 0.34 -0.07 -0.16 0.00 -0.02 0.00 0.00 41.12 41.21 3g4s n ASP 54 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3g4s s GLN 55 N -2.14 3.07 0.37 -1.24 2.00 -1.11 -5.01 119.66 115.60 3g4s s GLN 55 Ca -0.09 -0.82 -0.13 0.00 -2.00 0.00 0.00 55.36 52.32 3g4s s GLN 55 Cb 0.02 -2.52 -0.08 0.00 0.80 0.00 0.00 33.01 31.24 3g4s s GLN 55 CO 0.17 -0.05 0.77 -1.25 -0.50 0.00 0.00 175.29 174.43 3g4s s PRO 56 N 0.92 3.91 -0.30 1.67 0.04 -1.26 -4.08 135.00 135.89 3g4s s PRO 56 Ca -0.04 0.61 -0.13 0.00 0.04 0.00 0.00 61.00 61.49 3g4s s PRO 56 Cb -0.15 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 31.97 3g4s s PRO 56 CO -0.04 0.04 0.25 0.08 0.04 0.00 0.00 177.00 177.38 3g4s s VAL 57 N -2.19 5.27 0.04 -0.36 1.01 -0.07 -4.91 120.40 119.19 3g4s s VAL 57 Ca 0.53 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.30 3g4s s VAL 57 Cb -0.10 -3.64 -0.08 0.00 0.00 0.00 0.00 36.38 32.55 3g4s s VAL 57 CO 0.24 0.12 1.83 -2.84 0.00 0.00 0.00 175.10 174.44 3g4s s PRO 58 N 1.82 4.16 -0.77 2.72 0.02 -1.26 -2.15 135.00 139.54 3g4s s PRO 58 Ca 0.08 2.48 -0.16 0.00 0.02 0.00 0.00 61.00 63.42 3g4s s PRO 58 Cb -0.16 -3.91 0.16 0.00 0.02 0.00 0.00 34.50 30.61 3g4s s PRO 58 CO 0.11 -0.87 0.81 -0.06 -0.33 0.00 0.00 177.00 176.65 3g4s s PHE 59 N 3.70 3.39 -0.13 6.54 2.99 -0.73 -4.82 117.98 128.92 3g4s s PHE 59 Ca 0.82 -1.55 -0.17 0.00 0.00 0.00 0.00 56.93 56.03 3g4s s PHE 59 Cb -0.41 -3.97 -0.25 0.00 0.00 0.00 0.00 43.02 38.39 3g4s s PHE 59 CO 0.37 -1.18 0.46 0.87 -0.00 0.00 0.00 175.22 175.73 3g4s h LYS 60 N 8.46 0.17 0.05 0.44 1.57 -1.92 -3.39 116.57 121.96 3g4s h LYS 60 Ca -0.02 -0.29 -0.31 0.00 -1.87 0.00 0.00 60.65 58.16 3g4s h LYS 60 Cb 1.05 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 3g4s h LYS 60 CO 0.94 1.14 -1.72 0.94 -0.57 0.00 0.00 179.45 180.19 3g4s n GLN 61 N -4.03 0.65 -3.27 3.15 7.27 -1.26 -4.58 117.38 115.30 3g4s n GLN 61 Ca -0.27 0.41 -0.44 0.00 0.07 0.00 0.00 57.00 56.77 3g4s n GLN 61 Cb 0.84 -1.70 -0.00 0.00 2.41 0.00 0.00 30.24 31.79 3g4s n GLN 61 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3g4s n HIS 62 N -3.99 4.40 -0.00 3.69 8.25 -1.26 -4.76 115.22 121.55 3g4s n HIS 62 Ca -0.35 -3.58 0.00 0.00 -0.26 0.00 0.00 57.72 53.54 3g4s n HIS 62 Cb 0.86 -1.54 0.00 0.00 1.12 0.00 0.00 29.99 30.43 3g4s n HIS 62 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3g4s n ASN 63 N 2.26 1.67 -4.67 0.41 0.23 -1.26 -4.87 115.26 109.04 3g4s n ASN 63 Ca 0.24 -1.67 -0.42 0.00 -0.53 0.00 0.00 54.58 52.20 3g4s n ASN 63 Cb 0.37 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.05 3g4s n ASN 63 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3g4s s SER 64 N -0.67 6.58 0.00 0.53 1.04 -1.26 -2.41 113.70 117.51 3g4s s SER 64 Ca 0.00 2.44 0.00 0.00 0.48 0.00 0.00 55.95 58.87 3g4s s SER 64 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 3g4s s SER 64 CO 0.00 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.87 3g4s n GLY 65 N 4.25 2.40 3.72 7.32 0.00 -1.26 -5.01 105.19 116.61 3g4s n GLY 65 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3g4s n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g4s s VAL 66 N -2.89 3.83 0.57 1.61 1.01 -1.01 -5.01 120.40 118.50 3g4s s VAL 66 Ca 0.00 1.35 -0.17 0.00 0.00 0.00 0.00 61.98 63.16 3g4s s VAL 66 Cb 0.00 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 3g4s s VAL 66 CO 0.00 0.13 1.07 -0.83 0.00 0.00 0.00 175.10 175.47 3g4s s GLY 67 N 0.88 2.27 0.35 4.51 0.00 -1.26 -4.82 107.32 109.24 3g4s s GLY 67 Ca 0.58 0.51 -0.26 0.00 0.00 0.00 0.00 44.72 45.55 3g4s s GLY 67 CO 0.31 0.83 1.06 0.30 0.00 0.00 0.00 173.10 175.60 3g4s s HIS 68 N -2.26 3.42 -0.07 1.90 0.09 -1.26 -3.60 115.29 113.51 3g4s s HIS 68 Ca 0.66 1.68 0.05 0.00 -0.00 0.00 0.00 55.06 57.45 3g4s s HIS 68 Cb -0.18 -3.17 -0.01 0.00 -0.00 0.00 0.00 32.58 29.22 3g4s s HIS 68 CO 0.33 -0.52 -0.22 0.15 -0.00 0.00 0.00 174.74 174.48 3g4s s LYS 69 N -2.05 2.67 0.24 1.40 -0.14 -0.64 -4.90 119.74 116.31 3g4s s LYS 69 Ca 0.52 -0.84 -0.06 0.00 -1.36 0.00 0.00 55.97 54.23 3g4s s LYS 69 Cb -0.26 -2.26 0.24 0.00 -1.68 0.00 0.00 37.83 33.87 3g4s s LYS 69 CO 0.32 0.39 1.82 0.66 -0.76 0.00 0.00 175.35 177.78 3g4s h SER 70 N 6.06 1.04 0.28 2.83 4.64 -1.97 -3.07 113.55 123.36 3g4s h SER 70 Ca -0.33 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3g4s h SER 70 Cb 1.18 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 3g4s h SER 70 CO 0.49 0.90 0.00 0.29 -0.87 0.00 0.00 176.83 177.64 3g4s n LYS 71 N -4.30 0.26 -2.62 4.77 5.02 -1.26 -4.77 118.16 115.26 3g4s n LYS 71 Ca 0.07 0.12 -0.36 0.00 -2.02 0.00 0.00 58.31 56.12 3g4s n LYS 71 Cb 0.16 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.63 3g4s n LYS 71 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3g4s s VAL 72 N -2.51 3.91 -0.06 -0.18 1.01 -1.16 -4.90 120.40 116.50 3g4s s VAL 72 Ca 0.16 1.40 0.04 0.00 0.00 0.00 0.00 61.98 63.58 3g4s s VAL 72 Cb 0.11 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.80 3g4s s VAL 72 CO 0.24 -0.06 -0.18 -0.62 0.00 0.00 0.00 175.10 174.49 3g4s s ASP 73 N -1.73 2.32 0.00 3.32 2.15 -1.26 -4.68 116.67 116.79 3g4s s ASP 73 Ca 0.59 -0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.17 3g4s s ASP 73 Cb -0.19 -0.83 0.00 0.00 -0.30 0.00 0.00 42.92 41.60 3g4s s ASP 73 CO 0.24 0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.98 3g4s n GLY 74 N 3.36 0.73 3.58 2.66 0.00 -1.26 -4.95 105.19 109.32 3g4s n GLY 74 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 3g4s n GLY 74 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3g4s s TRP 75 N -3.12 0.42 -0.12 1.61 -0.11 -1.26 -5.12 118.94 111.23 3g4s s TRP 75 Ca 0.00 -0.78 -0.13 0.00 1.22 0.00 0.00 56.10 56.41 3g4s s TRP 75 Cb 0.00 0.17 -0.05 0.00 -1.50 0.00 0.00 33.47 32.08 3g4s s TRP 75 CO 0.00 -1.00 -0.26 -0.40 -4.62 0.00 0.00 176.95 170.66 3g4s n ASP 76 N -0.46 1.70 -4.76 5.86 5.75 -1.26 -4.79 116.55 118.60 3g4s n ASP 76 Ca -0.01 0.28 -0.39 0.00 -0.01 0.00 0.00 54.79 54.65 3g4s n ASP 76 Cb 0.62 -0.64 -0.06 0.00 -1.03 0.00 0.00 41.12 40.01 3g4s n ASP 76 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3g4s s ALA 77 N -2.65 3.32 0.01 2.12 0.00 -1.26 -1.63 121.76 121.68 3g4s s ALA 77 Ca -0.23 0.67 -0.28 0.00 0.00 0.00 0.00 51.96 52.12 3g4s s ALA 77 Cb 0.04 -3.23 0.10 0.00 0.00 0.00 0.00 23.12 20.03 3g4s s ALA 77 CO 0.33 0.10 0.88 0.20 0.00 0.00 0.00 175.76 177.27 3g4s s GLY 78 N -1.21 -0.46 0.34 0.00 0.00 -1.24 -1.77 107.32 102.98 3g4s s GLY 78 Ca 0.44 0.95 0.02 0.00 0.00 0.00 0.00 44.72 46.13 3g4s s GLY 78 CO 0.32 0.31 0.39 0.50 0.00 0.00 0.00 173.10 174.62 3g4s s ARG 79 N -3.16 1.84 -0.66 2.90 0.52 -0.91 -4.67 118.95 114.81 3g4s s ARG 79 Ca 0.05 -1.87 0.05 0.00 -0.52 0.00 0.00 55.73 53.43 3g4s s ARG 79 Cb -0.01 0.39 0.16 0.00 0.52 0.00 0.00 34.95 36.02 3g4s s ARG 79 CO -0.09 -0.73 0.45 0.71 0.02 0.00 0.00 175.30 175.67 3g4s s TYR 80 N -3.22 3.29 -0.88 -0.53 1.51 -1.26 -0.89 117.35 115.38 3g4s s TYR 80 Ca 0.35 -3.22 -0.22 0.00 -1.01 0.00 0.00 57.07 52.97 3g4s s TYR 80 Cb 0.01 -2.55 0.08 0.00 -0.11 0.00 0.00 41.96 39.38 3g4s s TYR 80 CO 0.23 -0.59 1.23 -1.25 -1.11 0.00 0.00 175.55 174.07 3g4s s PRO 81 N -1.18 3.44 0.34 -1.71 0.04 -1.26 -4.89 135.00 129.78 3g4s s PRO 81 Ca 0.25 -1.12 0.14 0.00 0.04 0.00 0.00 61.00 60.30 3g4s s PRO 81 Cb -0.06 -4.83 0.60 0.00 0.04 0.00 0.00 34.50 30.24 3g4s s PRO 81 CO -0.15 -1.99 1.73 1.05 0.04 0.00 0.00 177.00 177.68 3g4s h GLU 82 N 9.50 0.00 0.10 4.56 4.11 -1.91 -2.83 114.58 128.12 3g4s h GLU 82 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 3g4s h GLU 82 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3g4s h GLU 82 CO 1.26 0.46 -0.05 -0.22 0.07 0.00 0.00 179.01 180.54 3g4s h LYS 83 N 0.00 -0.13 -0.06 1.06 3.64 -2.00 -2.22 116.57 116.86 3g4s h LYS 83 Ca -0.00 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 3g4s h LYS 83 Cb 0.87 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 3g4s h LYS 83 CO 0.06 0.17 -0.40 0.00 -2.27 0.00 0.00 179.45 177.01 3g4s h ALA 84 N 0.41 1.21 -0.55 5.00 0.00 -1.94 -2.56 119.26 120.83 3g4s h ALA 84 Ca -0.01 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 3g4s h ALA 84 Cb 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3g4s h ALA 84 CO 0.02 0.55 -0.00 0.77 0.00 0.00 0.00 179.25 180.59 3g4s h SER 85 N 0.12 0.93 0.69 0.00 0.02 -1.46 0.85 113.55 114.69 3g4s h SER 85 Ca 0.01 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.63 3g4s h SER 85 Cb 0.77 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 3g4s h SER 85 CO 0.06 0.99 -0.38 0.11 -1.14 0.00 0.00 176.83 176.46 3g4s h LYS 86 N 0.88 0.00 0.16 3.45 1.57 -1.12 -1.13 116.57 120.38 3g4s h LYS 86 Ca 0.16 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.64 3g4s h LYS 86 Cb 0.52 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.85 3g4s h LYS 86 CO 0.03 0.38 -1.30 0.00 -0.57 0.00 0.00 179.45 177.99 3g4s h ALA 87 N 1.62 0.01 0.00 3.86 0.00 -1.01 -3.07 119.26 120.67 3g4s h ALA 87 Ca -0.00 -0.84 -0.08 0.00 0.00 0.00 0.00 54.91 53.99 3g4s h ALA 87 Cb 0.83 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3g4s h ALA 87 CO 0.05 0.82 -0.36 0.74 0.00 0.00 0.00 179.25 180.50 3g4s h PHE 88 N 0.14 0.00 -0.14 0.00 -1.00 -0.54 -2.30 116.94 113.11 3g4s h PHE 88 Ca -0.18 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.46 3g4s h PHE 88 Cb 2.00 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.55 3g4s h PHE 88 CO 0.09 0.36 -0.50 -0.07 -1.61 0.00 0.00 178.31 176.58 3g4s h LEU 89 N 0.00 0.40 -1.20 1.54 3.38 -1.20 -1.50 115.31 116.72 3g4s h LEU 89 Ca -0.00 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 3g4s h LEU 89 Cb 0.72 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3g4s h LEU 89 CO 0.05 0.83 -0.39 0.44 0.09 0.00 0.00 178.44 179.46 3g4s h ASP 90 N 0.29 0.00 -0.02 -0.43 3.32 -1.32 0.56 116.42 118.81 3g4s h ASP 90 Ca 0.01 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.82 3g4s h ASP 90 Cb 0.98 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.55 3g4s h ASP 90 CO 0.08 0.39 -0.89 0.25 -1.72 0.00 0.00 179.24 177.35 3g4s h LEU 91 N 0.00 0.87 -0.43 1.55 5.85 -1.11 -2.16 115.31 119.88 3g4s h LEU 91 Ca -0.00 -0.63 -0.00 0.00 0.84 0.00 0.00 57.88 58.08 3g4s h LEU 91 Cb 0.72 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 3g4s h LEU 91 CO 0.05 1.43 -0.01 -0.07 -0.34 0.00 0.00 178.44 179.49 3g4s h LEU 92 N 0.44 0.00 0.23 2.25 3.38 -0.76 -1.90 115.31 118.95 3g4s h LEU 92 Ca -0.08 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.56 3g4s h LEU 92 Cb 1.53 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.31 3g4s h LEU 92 CO 0.18 0.01 -1.46 -0.08 0.09 0.00 0.00 178.44 177.18 3g4s h GLU 93 N 0.00 0.48 -0.03 1.13 4.81 -0.87 -2.72 114.58 117.39 3g4s h GLU 93 Ca -0.00 -0.82 -0.12 0.00 -0.13 0.00 0.00 59.36 58.29 3g4s h GLU 93 Cb 0.87 0.31 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 3g4s h GLU 93 CO 0.00 1.39 -0.53 -0.97 -0.73 0.00 0.00 179.01 178.17 3g4s h ASN 94 N 0.13 0.08 -0.08 1.04 -1.24 -1.34 -1.99 115.58 112.19 3g4s h ASN 94 Ca -0.24 -0.04 -0.06 0.00 0.71 0.00 0.00 56.30 56.67 3g4s h ASN 94 Cb 2.13 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 41.16 3g4s h ASN 94 CO 0.26 0.60 -0.17 0.00 -1.29 0.00 0.00 177.43 176.83 3g4s h ALA 95 N 1.40 0.13 -0.61 1.57 0.00 -1.36 -2.05 119.26 118.34 3g4s h ALA 95 Ca -0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 3g4s h ALA 95 Cb 0.96 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3g4s h ALA 95 CO 0.07 0.05 -0.00 0.28 0.00 0.00 0.00 179.25 179.65 3g4s h VAL 96 N -0.21 1.27 -0.03 0.00 2.07 -1.50 -1.60 116.25 116.25 3g4s h VAL 96 Ca 0.00 -1.16 -0.05 0.00 0.82 0.00 0.00 66.70 66.31 3g4s h VAL 96 Cb 0.75 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3g4s h VAL 96 CO 0.04 0.42 -0.24 1.23 0.02 0.00 0.00 177.57 179.04 3g4s h GLY 97 N 0.97 0.06 1.60 2.17 0.00 -1.36 0.17 103.07 106.68 3g4s h GLY 97 Ca 0.17 -0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.37 3g4s h GLY 97 CO 0.03 0.03 -0.75 3.43 0.00 0.00 0.00 176.54 179.29 3g4s h ASN 98 N 0.05 0.00 0.17 0.19 -0.26 -1.12 -3.25 115.58 111.36 3g4s h ASN 98 Ca 0.01 0.00 -0.26 0.00 -0.56 0.00 0.00 56.30 55.48 3g4s h ASN 98 Cb 0.45 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.73 3g4s h ASN 98 CO 0.03 0.40 -1.22 0.00 -1.06 0.00 0.00 177.43 175.58 3g4s h ALA 99 N 1.60 -0.03 0.00 -0.83 0.00 -0.67 -3.33 119.26 116.00 3g4s h ALA 99 Ca -0.05 -0.87 -0.01 0.00 0.00 0.00 0.00 54.91 53.98 3g4s h ALA 99 Cb 1.34 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 3g4s h ALA 99 CO 0.04 0.62 -0.07 -0.44 0.00 0.00 0.00 179.25 179.41 3g4s h ASP 100 N -0.17 0.00 1.29 0.00 3.32 -1.11 -1.25 116.42 118.51 3g4s h ASP 100 Ca -0.23 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.77 3g4s h ASP 100 Cb 1.86 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.40 3g4s h ASP 100 CO 0.17 0.07 -0.26 -0.74 -1.72 0.00 0.00 179.24 176.75 3g4s h HIS 101 N 0.00 0.00 -0.03 4.55 2.76 -1.66 -2.81 115.15 117.96 3g4s h HIS 101 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3g4s h HIS 101 Cb 0.45 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.41 3g4s h HIS 101 CO 0.00 0.26 -0.01 1.04 -1.30 0.00 0.00 177.93 177.92 3g4s n GLN 102 N -3.27 2.13 -0.22 5.26 6.02 -0.71 -4.96 117.38 121.62 3g4s n GLN 102 Ca 0.01 -1.65 0.00 0.00 -0.01 0.00 0.00 57.00 55.35 3g4s n GLN 102 Cb 0.54 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.33 3g4s n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g4s n GLY 103 N 1.31 0.66 3.83 1.08 0.00 -1.04 -5.08 105.19 105.94 3g4s n GLY 103 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3g4s n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g4s s PHE 104 N -2.37 3.21 -0.81 1.61 0.40 -0.55 -4.96 117.98 114.50 3g4s s PHE 104 Ca 0.00 1.32 -0.15 0.00 -0.60 0.00 0.00 56.93 57.50 3g4s s PHE 104 Cb 0.00 -2.89 0.19 0.00 0.51 0.00 0.00 43.02 40.83 3g4s s PHE 104 CO 0.00 -1.18 0.81 0.34 0.70 0.00 0.00 175.22 175.89 3g4s s ASP 105 N -3.95 6.67 0.18 1.36 2.15 -1.26 -4.00 116.67 117.82 3g4s s ASP 105 Ca 0.58 -2.45 -0.20 0.00 0.43 0.00 0.00 52.55 50.91 3g4s s ASP 105 Cb -0.13 -2.25 0.11 0.00 -0.30 0.00 0.00 42.92 40.35 3g4s s ASP 105 CO 0.54 -0.71 1.62 1.23 -0.17 0.00 0.00 175.17 177.68 3g4s h GLY 106 N 8.44 0.02 0.63 2.66 0.00 -1.89 -1.95 103.07 110.97 3g4s h GLY 106 Ca 0.07 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3g4s h GLY 106 CO 0.85 -0.21 0.00 1.18 0.00 0.00 0.00 176.54 178.36 3g4s n GLU 107 N -5.41 0.57 -0.01 4.80 1.02 -1.26 -2.75 120.64 117.60 3g4s n GLU 107 Ca 0.03 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.18 3g4s n GLU 107 Cb 0.32 -1.32 0.01 0.00 -0.02 0.00 0.00 31.44 30.44 3g4s n GLU 107 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g4s n ALA 108 N -0.82 1.91 -2.78 0.62 0.00 -0.74 -3.59 120.51 115.11 3g4s n ALA 108 Ca 0.09 -1.10 -0.36 0.00 0.00 0.00 0.00 53.44 52.07 3g4s n ALA 108 Cb 0.04 -0.05 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3g4s n ALA 108 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3g4s s MET 109 N -1.05 3.21 0.35 0.00 -1.94 -1.11 -4.74 119.30 114.02 3g4s s MET 109 Ca 0.03 -0.27 -0.25 0.00 -1.71 0.00 0.00 55.69 53.49 3g4s s MET 109 Cb 0.03 -2.99 -0.10 0.00 2.01 0.00 0.00 34.83 33.78 3g4s s MET 109 CO 0.00 0.74 0.97 0.95 -0.01 0.00 0.00 175.02 177.68 3g4s s THR 110 N -0.96 4.10 -0.69 2.05 -4.23 -0.93 -0.81 115.64 114.16 3g4s s THR 110 Ca 0.14 1.67 -0.25 0.00 -1.18 0.00 0.00 61.69 62.07 3g4s s THR 110 Cb -0.12 -3.89 0.05 0.00 1.34 0.00 0.00 72.50 69.88 3g4s s THR 110 CO 0.03 0.07 1.14 -0.63 -0.54 0.00 0.00 174.62 174.69 3g4s s ILE 111 N -1.67 4.00 0.10 2.99 1.01 -0.56 -1.10 121.20 125.97 3g4s s ILE 111 Ca 0.53 0.15 -0.12 0.00 0.00 0.00 0.00 60.65 61.21 3g4s s ILE 111 Cb -0.19 -4.80 -0.17 0.00 0.01 0.00 0.00 42.46 37.31 3g4s s ILE 111 CO 0.24 -1.63 1.29 0.50 0.00 0.00 0.00 174.94 175.33 3g4s h LYS 112 N 9.79 0.74 -3.44 2.79 3.64 -1.55 -3.03 116.57 125.51 3g4s h LYS 112 Ca -0.28 -0.65 -0.17 0.00 -1.27 0.00 0.00 60.65 58.28 3g4s h LYS 112 Cb 1.06 0.15 -0.24 0.00 -0.41 0.00 0.00 32.23 32.79 3g4s h LYS 112 CO 1.23 1.25 -0.52 -1.58 -2.27 0.00 0.00 179.45 177.56 3g4s s HIS 113 N -3.62 -0.07 -0.30 1.91 2.46 -1.18 -4.91 115.29 109.59 3g4s s HIS 113 Ca -0.10 0.15 -0.07 0.00 0.47 0.00 0.00 55.06 55.51 3g4s s HIS 113 Cb 0.08 0.00 0.17 0.00 -0.13 0.00 0.00 32.58 32.71 3g4s s HIS 113 CO 0.90 -0.18 0.75 0.54 -2.47 0.00 0.00 174.74 174.28 3g4s s VAL 114 N -0.63 -0.80 -0.06 0.89 0.11 -1.26 -2.05 120.40 116.60 3g4s s VAL 114 Ca -0.07 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 58.93 3g4s s VAL 114 Cb -0.04 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.82 3g4s s VAL 114 CO 0.01 0.00 0.16 0.00 -3.33 0.00 0.00 175.10 171.94 3g4s s ALA 115 N 2.84 -0.38 -0.12 1.54 0.00 -1.21 -4.72 121.76 119.71 3g4s s ALA 115 Ca 0.09 0.47 -0.06 0.00 0.00 0.00 0.00 51.96 52.46 3g4s s ALA 115 Cb -0.12 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 3g4s s ALA 115 CO -0.18 -0.08 0.10 0.00 0.00 0.00 0.00 175.76 175.60 3g4s s ALA 116 N 0.18 3.69 -0.03 0.00 0.00 -1.26 -2.56 121.76 121.78 3g4s s ALA 116 Ca -0.01 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.30 3g4s s ALA 116 Cb -0.02 -1.86 -0.00 0.00 0.00 0.00 0.00 23.12 21.24 3g4s s ALA 116 CO -0.00 0.55 -0.13 -1.01 0.00 0.00 0.00 175.76 175.18 3g4s s HIS 117 N -0.82 1.26 -0.64 0.00 3.76 -0.70 -4.97 115.29 113.18 3g4s s HIS 117 Ca 0.13 -0.32 -0.22 0.00 -0.15 0.00 0.00 55.06 54.50 3g4s s HIS 117 Cb -0.12 -0.86 0.07 0.00 1.11 0.00 0.00 32.58 32.78 3g4s s HIS 117 CO 0.03 -0.11 0.93 0.21 -0.85 0.00 0.00 174.74 174.95 3g4s s LYS 118 N 0.05 3.12 -1.24 1.40 2.20 -1.26 -2.41 119.74 121.59 3g4s s LYS 118 Ca -0.02 -0.82 -0.06 0.00 -0.36 0.00 0.00 55.97 54.71 3g4s s LYS 118 Cb -0.09 -4.21 0.18 0.00 -1.51 0.00 0.00 37.83 32.20 3g4s s LYS 118 CO 0.01 -1.74 2.01 0.28 -0.36 0.00 0.00 175.35 175.55 3g4s n VAL 119 N 5.91 5.00 -3.56 4.02 0.31 -0.45 -4.97 118.33 124.59 3g4s n VAL 119 Ca -0.04 -4.74 0.01 0.00 -0.01 0.00 0.00 64.34 59.57 3g4s n VAL 119 Cb 0.45 -2.13 -0.00 0.00 -0.91 0.00 0.00 33.84 31.25 3g4s n VAL 119 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3g4s n GLY 120 N 1.91 -1.79 3.29 2.92 0.00 -1.25 -4.53 105.19 105.74 3g4s n GLY 120 Ca 0.47 -1.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.02 3g4s n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g4s s GLU 121 N -0.29 1.16 -0.30 1.61 2.02 -1.26 -1.42 118.70 120.21 3g4s s GLU 121 Ca 0.00 -1.46 -0.10 0.00 0.02 0.00 0.00 54.97 53.43 3g4s s GLU 121 Cb 0.00 -0.90 -0.02 0.00 0.10 0.00 0.00 34.13 33.31 3g4s s GLU 121 CO 0.00 0.15 0.16 -1.14 0.02 0.00 0.00 175.26 174.44 3g4s s GLN 122 N -3.44 3.47 0.49 1.61 0.74 0.12 -4.85 119.66 117.80 3g4s s GLN 122 Ca 0.17 -0.63 -0.20 0.00 0.05 0.00 0.00 55.36 54.75 3g4s s GLN 122 Cb -0.01 -3.58 -0.08 0.00 1.10 0.00 0.00 33.01 30.45 3g4s s GLN 122 CO 0.04 -0.36 1.06 -0.65 -0.55 0.00 0.00 175.29 174.82 3g4s s GLN 123 N 1.64 3.75 0.35 1.67 -0.21 -1.26 -1.44 119.66 124.17 3g4s s GLN 123 Ca 0.05 1.42 -0.04 0.00 0.02 0.00 0.00 55.36 56.82 3g4s s GLN 123 Cb -0.17 -2.12 0.01 0.00 1.00 0.00 0.00 33.01 31.74 3g4s s GLN 123 CO 0.07 -0.48 0.52 0.20 -2.12 0.00 0.00 175.29 173.48 3g4s s GLY 124 N -1.90 1.37 -0.16 3.09 0.00 -1.20 -4.92 107.32 103.61 3g4s s GLY 124 Ca 0.67 -1.43 -0.11 0.00 0.00 0.00 0.00 44.72 43.85 3g4s s GLY 124 CO 0.22 -0.91 0.41 -1.60 0.00 0.00 0.00 173.10 171.21 3g4s s ARG 125 N -2.91 0.42 -0.16 2.90 6.06 -1.26 -2.70 118.95 121.30 3g4s s ARG 125 Ca 0.29 0.69 -0.00 0.00 -2.50 0.00 0.00 55.73 54.20 3g4s s ARG 125 Cb -0.01 0.08 -0.00 0.00 0.06 0.00 0.00 34.95 35.08 3g4s s ARG 125 CO 0.20 -0.11 -0.15 0.21 -2.50 0.00 0.00 175.30 172.95 3g4s s LYS 126 N 0.88 3.21 -0.37 5.12 2.47 -0.15 -4.81 119.74 126.11 3g4s s LYS 126 Ca -0.05 -0.74 -0.29 0.00 -1.56 0.00 0.00 55.97 53.33 3g4s s LYS 126 Cb -0.06 -2.66 -0.00 0.00 -1.46 0.00 0.00 37.83 33.65 3g4s s LYS 126 CO -0.07 -0.02 1.59 -2.14 0.16 0.00 0.00 175.35 174.87 3g4s s PRO 127 N 0.92 3.47 0.61 4.03 0.02 -1.26 -2.07 135.00 140.72 3g4s s PRO 127 Ca -0.03 1.19 0.05 0.00 0.02 0.00 0.00 61.00 62.22 3g4s s PRO 127 Cb -0.15 -4.10 0.09 0.00 0.02 0.00 0.00 34.50 30.36 3g4s s PRO 127 CO -0.02 -1.69 0.84 1.03 -0.33 0.00 0.00 177.00 176.84 3g4s s ARG 128 N 5.25 2.14 1.16 5.54 1.81 -0.12 -5.00 118.95 129.74 3g4s s ARG 128 Ca 0.70 -1.35 -0.14 0.00 -1.72 0.00 0.00 55.73 53.22 3g4s s ARG 128 Cb -0.18 -2.53 0.27 0.00 -0.45 0.00 0.00 34.95 32.06 3g4s s ARG 128 CO 0.33 -1.01 1.04 0.00 -0.68 0.00 0.00 175.30 174.98 3g4s s ALA 129 N -2.82 -0.09 -2.20 2.13 0.00 -1.26 -3.81 121.76 113.71 3g4s s ALA 129 Ca 0.63 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.22 3g4s s ALA 129 Cb -0.06 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.92 3g4s s ALA 129 CO 0.40 -3.67 0.00 -1.33 0.00 0.00 0.00 175.76 171.17 3g4s n MET 130 N -4.80 -1.47 -2.20 0.00 2.81 -1.26 -2.92 117.12 107.28 3g4s n MET 130 Ca 0.05 1.22 -0.05 0.00 -1.81 0.00 0.00 57.70 57.11 3g4s n MET 130 Cb 0.56 -5.63 0.00 0.00 -0.71 0.00 0.00 33.22 27.45 3g4s n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g4s n GLY 131 N -0.44 0.25 3.39 3.03 0.00 -1.26 -5.05 105.19 105.11 3g4s n GLY 131 Ca -0.21 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 3g4s n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3g4s s ARG 132 N -4.41 1.44 -0.02 1.61 3.52 -1.15 -5.06 118.95 114.88 3g4s s ARG 132 Ca 0.02 -1.51 0.01 0.00 -0.13 0.00 0.00 55.73 54.12 3g4s s ARG 132 Cb -0.01 -1.65 0.01 0.00 -1.56 0.00 0.00 34.95 31.75 3g4s s ARG 132 CO 0.03 0.34 -0.02 0.00 -0.81 0.00 0.00 175.30 174.84 3g4s s ALA 133 N -1.89 0.35 0.16 6.12 0.00 -1.26 -0.94 121.76 124.28 3g4s s ALA 133 Ca 0.20 0.01 0.11 0.00 0.00 0.00 0.00 51.96 52.28 3g4s s ALA 133 Cb -0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 3g4s s ALA 133 CO 0.09 -0.00 -0.24 -1.54 0.00 0.00 0.00 175.76 174.07 3g4s s SER 134 N 0.54 3.45 0.42 0.00 1.04 -0.88 -4.93 113.70 113.34 3g4s s SER 134 Ca -0.06 -0.78 -0.25 0.00 0.48 0.00 0.00 55.95 55.34 3g4s s SER 134 Cb -0.09 -0.28 -0.10 0.00 0.10 0.00 0.00 66.02 65.66 3g4s s SER 134 CO -0.01 0.15 1.28 0.00 0.98 0.00 0.00 173.24 175.64 3g4s n ALA 135 N 0.60 1.33 -3.38 5.32 0.00 -1.26 -0.97 120.51 122.14 3g4s n ALA 135 Ca -0.15 0.26 -0.26 0.00 0.00 0.00 0.00 53.44 53.29 3g4s n ALA 135 Cb 0.54 -2.27 -0.09 0.00 0.00 0.00 0.00 19.45 17.63 3g4s n ALA 135 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3g4s n TRP 136 N -0.20 -0.34 -3.45 0.00 -0.00 -1.10 -4.69 117.44 107.66 3g4s n TRP 136 Ca 0.06 -3.47 -0.25 0.00 -0.00 0.00 0.00 57.50 53.85 3g4s n TRP 136 Cb 0.40 0.03 -0.02 0.00 -0.00 0.00 0.00 31.31 31.72 3g4s n TRP 136 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 3g4s s ASN 137 N -0.43 6.34 -0.10 5.87 0.01 -1.26 -3.21 114.94 122.16 3g4s s ASN 137 Ca 0.33 0.47 0.04 0.00 -0.71 0.00 0.00 52.86 52.99 3g4s s ASN 137 Cb 0.07 -2.04 -0.00 0.00 0.41 0.00 0.00 41.25 39.69 3g4s s ASN 137 CO -0.17 -0.23 -0.24 -0.44 -1.51 0.00 0.00 177.10 174.52 3g4s s SER 138 N -3.74 3.11 0.14 -1.22 0.01 -0.52 -4.98 113.70 106.51 3g4s s SER 138 Ca 0.40 -0.55 -0.30 0.00 1.31 0.00 0.00 55.95 56.81 3g4s s SER 138 Cb -0.10 -1.34 -0.07 0.00 0.21 0.00 0.00 66.02 64.72 3g4s s SER 138 CO 0.34 0.17 0.98 -2.84 0.41 0.00 0.00 173.24 172.29 3g4s s PRO 139 N 0.28 4.71 -0.29 12.44 0.02 -1.26 0.12 135.00 151.02 3g4s s PRO 139 Ca -0.17 1.50 -0.10 0.00 0.02 0.00 0.00 61.00 62.25 3g4s s PRO 139 Cb -0.17 -3.35 -0.03 0.00 0.02 0.00 0.00 34.50 30.97 3g4s s PRO 139 CO 0.08 0.24 0.16 -0.65 -0.33 0.00 0.00 177.00 176.51 3g4s s GLN 140 N -0.25 3.69 0.14 5.54 -0.21 -0.51 -3.11 119.66 124.95 3g4s s GLN 140 Ca 0.46 -0.48 0.09 0.00 0.02 0.00 0.00 55.36 55.45 3g4s s GLN 140 Cb -0.25 -3.57 -0.04 0.00 1.00 0.00 0.00 33.01 30.15 3g4s s GLN 140 CO 0.31 -0.27 -0.19 0.08 -2.12 0.00 0.00 175.29 173.11 3g4s s VAL 141 N 1.69 2.77 0.01 1.09 1.01 0.22 -1.35 120.40 125.83 3g4s s VAL 141 Ca 0.06 -1.62 0.05 0.00 0.00 0.00 0.00 61.98 60.48 3g4s s VAL 141 Cb -0.16 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 3g4s s VAL 141 CO 0.08 0.04 -0.17 -1.81 0.00 0.00 0.00 175.10 173.25 3g4s s ASP 142 N -2.30 1.97 -0.10 3.32 1.11 -1.01 0.13 116.67 119.80 3g4s s ASP 142 Ca 0.19 -0.37 -0.05 0.00 0.18 0.00 0.00 52.55 52.51 3g4s s ASP 142 Cb -0.10 -0.19 0.04 0.00 1.07 0.00 0.00 42.92 43.74 3g4s s ASP 142 CO 0.10 0.16 0.22 0.54 1.18 0.00 0.00 175.17 177.38 3g4s s VAL 143 N -0.54 -0.05 0.31 -1.27 0.11 -0.79 -1.72 120.40 116.46 3g4s s VAL 143 Ca 0.06 0.16 -0.00 0.00 -2.93 0.00 0.00 61.98 59.26 3g4s s VAL 143 Cb -0.07 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.39 3g4s s VAL 143 CO 0.00 0.06 0.52 -1.83 -3.33 0.00 0.00 175.10 170.52 3g4s s GLU 144 N 1.25 3.51 -0.20 1.54 -1.05 -1.06 -0.31 118.70 122.38 3g4s s GLU 144 Ca -0.09 -0.31 -0.12 0.00 -0.15 0.00 0.00 54.97 54.30 3g4s s GLU 144 Cb -0.11 -2.70 0.06 0.00 -0.44 0.00 0.00 34.13 30.95 3g4s s GLU 144 CO -0.08 0.21 0.49 -1.17 0.95 0.00 0.00 175.26 175.66 3g4s s LEU 145 N -4.05 -0.27 -0.11 1.83 2.96 -0.31 -3.30 118.68 115.43 3g4s s LEU 145 Ca 0.40 1.06 0.01 0.00 -0.22 0.00 0.00 54.13 55.38 3g4s s LEU 145 Cb -0.10 1.65 0.02 0.00 0.50 0.00 0.00 46.19 48.26 3g4s s LEU 145 CO 0.34 -0.20 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.41 3g4s s ILE 146 N 1.31 1.34 -0.20 6.68 1.01 -0.87 -0.69 121.20 129.78 3g4s s ILE 146 Ca -0.08 -0.54 -0.06 0.00 0.00 0.00 0.00 60.65 59.97 3g4s s ILE 146 Cb -0.07 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 3g4s s ILE 146 CO -0.13 0.41 0.03 -0.76 0.00 0.00 0.00 174.94 174.50 3g4s s LEU 147 N 1.14 3.49 0.07 2.97 1.43 0.11 -1.33 118.68 126.57 3g4s s LEU 147 Ca -0.04 -0.09 0.06 0.00 -1.03 0.00 0.00 54.13 53.02 3g4s s LEU 147 Cb -0.14 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 3g4s s LEU 147 CO -0.03 0.10 -0.09 -0.70 0.23 0.00 0.00 176.35 175.86 3g4s s GLU 148 N 0.83 2.28 -0.04 1.70 2.12 -0.26 -1.51 118.70 123.81 3g4s s GLU 148 Ca 0.02 -0.92 -0.30 0.00 0.36 0.00 0.00 54.97 54.13 3g4s s GLU 148 Cb -0.14 -2.37 -0.03 0.00 0.26 0.00 0.00 34.13 31.85 3g4s s GLU 148 CO 0.02 0.54 1.08 -2.00 -0.54 0.00 0.00 175.26 174.36 3g4s s GLU 149 N -1.95 4.44 0.00 4.30 2.12 -0.85 -2.18 118.70 124.58 3g4s s GLU 149 Ca 0.20 1.52 0.19 0.00 0.36 0.00 0.00 54.97 57.25 3g4s s GLU 149 Cb -0.11 -3.50 1.14 0.00 0.26 0.00 0.00 34.13 31.92 3g4s s GLU 149 CO 0.12 -0.28 1.53 -2.30 -0.54 0.00 0.00 175.26 173.79