#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uph n ALA 3 N 0.00 6.42 -3.15 4.61 0.00 -1.26 -4.66 120.51 122.47 1uph n ALA 3 Ca 0.00 -3.78 0.04 0.00 0.00 0.00 0.00 53.44 49.70 1uph n ALA 3 Cb 0.00 -3.40 -0.00 0.00 0.00 0.00 0.00 19.45 16.05 1uph n ALA 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1uph s ARG 4 N 2.38 0.53 0.97 0.00 6.06 -1.26 -5.16 118.95 122.47 1uph s ARG 4 Ca 0.56 0.58 -0.11 0.00 -2.50 0.00 0.00 55.73 54.26 1uph s ARG 4 Cb 0.16 0.28 0.18 0.00 0.06 0.00 0.00 34.95 35.62 1uph s ARG 4 CO -0.07 -0.93 1.09 0.00 -2.50 0.00 0.00 175.30 172.90 1uph s ALA 5 N 2.84 0.98 -0.39 6.12 0.00 -1.26 -5.00 121.76 125.05 1uph s ALA 5 Ca 0.13 0.18 0.11 0.00 0.00 0.00 0.00 51.96 52.38 1uph s ALA 5 Cb -0.10 -3.31 0.39 0.00 0.00 0.00 0.00 23.12 20.10 1uph s ALA 5 CO -0.25 -2.90 1.15 -1.13 0.00 0.00 0.00 175.76 172.64 1uph n SER 6 N -4.29 -1.00 0.00 0.00 3.41 -1.26 -5.00 113.62 105.48 1uph n SER 6 Ca 0.08 -2.84 0.00 0.00 -0.26 0.00 0.00 58.87 55.84 1uph n SER 6 Cb 0.54 0.72 0.00 0.00 -0.26 0.00 0.00 64.21 65.20 1uph n SER 6 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1uph n VAL 7 N -0.18 0.00 -4.03 -3.33 0.31 -1.26 -3.92 118.33 105.92 1uph n VAL 7 Ca 0.04 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.01 1uph n VAL 7 Cb 0.79 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.65 1uph n VAL 7 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1uph s LEU 8 N -2.20 4.15 0.00 7.52 1.43 -1.26 -4.74 118.68 123.58 1uph s LEU 8 Ca 0.00 0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 53.33 1uph s LEU 8 Cb 0.00 -2.02 0.19 0.00 0.03 0.00 0.00 46.19 44.38 1uph s LEU 8 CO 0.00 0.39 0.85 -1.20 0.23 0.00 0.00 176.35 176.62 1uph n SER 9 N 1.96 -0.93 0.31 2.29 7.64 -1.26 -4.64 113.62 118.99 1uph n SER 9 Ca -0.19 -1.14 -0.17 0.00 1.01 0.00 0.00 58.87 58.38 1uph n SER 9 Cb 0.54 -0.71 -0.08 0.00 -1.01 0.00 0.00 64.21 62.95 1uph n SER 9 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1uph h GLY 10 N -1.68 -0.96 0.97 0.23 0.00 -1.99 0.44 103.07 100.09 1uph h GLY 10 Ca -0.30 0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1uph h GLY 10 CO 0.20 -0.34 0.25 -1.33 0.00 0.00 0.00 176.54 175.32 1uph h GLY 11 N -0.87 0.68 1.90 4.60 0.00 -1.99 -0.70 103.07 106.68 1uph h GLY 11 Ca -0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1uph h GLY 11 CO 0.03 0.30 0.03 0.83 0.00 0.00 0.00 176.54 177.73 1uph h GLU 12 N 0.60 0.13 -0.12 4.80 5.08 -1.87 -1.11 114.58 122.09 1uph h GLU 12 Ca 0.16 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1uph h GLU 12 Cb 0.06 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1uph h GLU 12 CO -0.03 0.13 -0.31 -0.07 -1.00 0.00 0.00 179.01 177.73 1uph h LEU 13 N 0.14 0.49 -0.47 1.33 3.38 0.68 0.32 115.31 121.18 1uph h LEU 13 Ca 0.04 -0.58 0.06 0.00 0.09 0.00 0.00 57.88 57.48 1uph h LEU 13 Cb 0.05 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1uph h LEU 13 CO -0.00 0.98 0.19 -0.78 0.09 0.00 0.00 178.44 178.92 1uph h ASP 14 N 0.01 0.22 -0.33 -0.43 3.58 -0.35 0.39 116.42 119.52 1uph h ASP 14 Ca -0.00 0.05 -0.14 0.00 0.42 0.00 0.00 57.03 57.36 1uph h ASP 14 Cb 0.92 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 1uph h ASP 14 CO 0.07 0.16 -0.33 0.50 -2.88 0.00 0.00 179.24 176.76 1uph h LYS 15 N 0.37 0.80 -0.51 0.28 3.64 -1.22 -2.57 116.57 117.36 1uph h LYS 15 Ca 0.22 -0.42 0.09 0.00 -1.27 0.00 0.00 60.65 59.26 1uph h LYS 15 Cb 0.19 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1uph h LYS 15 CO -0.20 1.05 0.35 2.35 -2.27 0.00 0.00 179.45 180.73 1uph h TRP 16 N 0.57 0.33 -0.51 1.91 2.91 0.53 0.25 115.95 121.95 1uph h TRP 16 Ca 0.05 0.01 -0.29 0.00 1.13 0.00 0.00 58.89 59.79 1uph h TRP 16 Cb 0.91 -0.11 -0.15 0.00 -0.51 0.00 0.00 29.16 29.29 1uph h TRP 16 CO 0.07 0.17 0.38 -1.91 -1.03 0.00 0.00 178.44 176.11 1uph n GLU 17 N -4.46 1.72 0.00 2.65 2.13 0.13 -3.44 120.64 119.36 1uph n GLU 17 Ca 0.08 -1.58 0.00 0.00 0.66 0.00 0.00 57.16 56.32 1uph n GLU 17 Cb 0.35 -1.62 -0.00 0.00 0.27 0.00 0.00 31.44 30.44 1uph n GLU 17 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1uph n LYS 18 N -0.11 4.31 -3.20 5.31 3.00 0.88 -4.64 118.16 123.71 1uph n LYS 18 Ca 0.31 -0.17 -0.39 0.00 -0.00 0.00 0.00 58.31 58.06 1uph n LYS 18 Cb 0.91 -0.68 -0.06 0.00 0.00 0.00 0.00 35.03 35.20 1uph n LYS 18 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1uph s ILE 19 N -0.70 4.65 0.16 3.15 1.01 -1.22 -4.82 121.20 123.43 1uph s ILE 19 Ca 0.00 1.34 -0.06 0.00 0.00 0.00 0.00 60.65 61.94 1uph s ILE 19 Cb 0.00 -3.96 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 1uph s ILE 19 CO 0.01 0.54 0.41 0.00 0.00 0.00 0.00 174.94 175.91 1uph s ARG 20 N -1.09 3.66 -0.02 2.79 1.70 0.92 -0.84 118.95 126.07 1uph s ARG 20 Ca 0.31 -0.01 -0.21 0.00 -0.47 0.00 0.00 55.73 55.35 1uph s ARG 20 Cb -0.20 -2.81 -0.27 0.00 -0.57 0.00 0.00 34.95 31.10 1uph s ARG 20 CO 0.21 0.44 1.01 -0.07 -1.08 0.00 0.00 175.30 175.81 1uph h LEU 21 N 2.78 0.49 -9.16 -1.89 3.38 -0.54 0.12 115.31 110.48 1uph h LEU 21 Ca -0.46 -0.84 -0.64 0.00 0.09 0.00 0.00 57.88 56.03 1uph h LEU 21 Cb 1.17 -0.15 -0.16 0.00 0.09 0.00 0.00 40.66 41.60 1uph h LEU 21 CO 0.72 1.28 -0.78 -0.13 0.09 0.00 0.00 178.44 179.61 1uph s ARG 22 N -2.88 1.71 0.15 1.13 0.52 -1.26 -4.28 118.95 114.04 1uph s ARG 22 Ca -0.14 -1.51 -0.03 0.00 -0.52 0.00 0.00 55.73 53.54 1uph s ARG 22 Cb 0.02 -1.92 -0.04 0.00 0.52 0.00 0.00 34.95 33.53 1uph s ARG 22 CO 0.82 0.39 1.35 -1.00 0.02 0.00 0.00 175.30 176.89 1uph h PRO 23 N 2.90 0.40 -0.03 3.54 0.13 -1.97 -3.27 132.00 133.71 1uph h PRO 23 Ca -0.45 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.28 1uph h PRO 23 Cb 1.22 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1uph h PRO 23 CO 0.52 1.05 0.00 0.41 -0.23 0.00 0.00 178.00 179.76 1uph n GLY 24 N 0.80 -0.10 0.00 1.56 0.00 -1.26 -5.00 105.19 101.19 1uph n GLY 24 Ca -0.06 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1uph n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uph n GLY 25 N 0.69 -0.29 2.66 -0.02 0.00 -1.23 -5.05 105.19 101.95 1uph n GLY 25 Ca 0.07 -1.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 1uph n GLY 25 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1uph n LYS 26 N -1.00 1.58 -4.40 1.61 2.85 -1.26 -4.84 118.16 112.71 1uph n LYS 26 Ca 0.00 -3.47 -0.26 0.00 -1.05 0.00 0.00 58.31 53.53 1uph n LYS 26 Cb 0.00 -1.46 -0.13 0.00 -0.65 0.00 0.00 35.03 32.79 1uph n LYS 26 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1uph s LYS 27 N -3.33 1.28 0.16 -1.58 1.02 -1.26 -5.03 119.74 111.00 1uph s LYS 27 Ca 0.30 -1.19 -0.01 0.00 0.02 0.00 0.00 55.97 55.08 1uph s LYS 27 Cb 0.42 -1.60 -0.04 0.00 -0.52 0.00 0.00 37.83 36.09 1uph s LYS 27 CO -0.00 0.38 0.09 -0.65 -0.92 0.00 0.00 175.35 174.25 1uph s GLN 28 N -1.83 1.05 0.79 1.68 -0.21 -1.26 0.23 119.66 120.11 1uph s GLN 28 Ca 0.09 -1.51 -0.11 0.00 0.02 0.00 0.00 55.36 53.86 1uph s GLN 28 Cb -0.10 0.26 0.07 0.00 1.00 0.00 0.00 33.01 34.24 1uph s GLN 28 CO 0.04 -0.32 1.09 0.71 -2.12 0.00 0.00 175.29 174.69 1uph s TYR 29 N -4.09 2.60 0.12 0.91 1.51 -0.02 -4.82 117.35 113.56 1uph s TYR 29 Ca 0.30 1.45 -0.25 0.00 -1.01 0.00 0.00 57.07 57.56 1uph s TYR 29 Cb 0.07 -3.06 0.08 0.00 -0.11 0.00 0.00 41.96 38.95 1uph s TYR 29 CO 0.06 -1.86 1.09 0.21 -1.11 0.00 0.00 175.55 173.94 1uph s LYS 30 N -4.94 1.01 0.63 -0.62 2.20 -1.26 -4.39 119.74 112.37 1uph s LYS 30 Ca 0.61 -0.61 0.36 0.00 -0.36 0.00 0.00 55.97 55.97 1uph s LYS 30 Cb -0.17 0.31 2.00 0.00 -1.51 0.00 0.00 37.83 38.46 1uph s LYS 30 CO 0.56 -0.47 2.21 1.25 -0.36 0.00 0.00 175.35 178.55 1uph h LEU 31 N 2.00 0.00 -0.30 5.43 7.12 -1.97 0.42 115.31 128.02 1uph h LEU 31 Ca -0.27 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.70 1uph h LEU 31 Cb 1.22 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.33 1uph h LEU 31 CO 0.31 0.00 0.02 0.50 -0.13 0.00 0.00 178.44 179.14 1uph h LYS 32 N 0.00 0.51 -0.18 1.25 3.64 -1.98 0.43 116.57 120.24 1uph h LYS 32 Ca 0.02 -0.15 -0.16 0.00 -1.27 0.00 0.00 60.65 59.09 1uph h LYS 32 Cb 0.23 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1uph h LYS 32 CO -0.00 0.64 -0.55 0.45 -2.27 0.00 0.00 179.45 177.72 1uph h HIS 33 N 0.32 0.66 -0.51 1.91 3.86 -1.35 -0.63 115.15 119.41 1uph h HIS 33 Ca 0.09 -0.23 -0.10 0.00 -1.16 0.00 0.00 60.37 58.96 1uph h HIS 33 Cb 0.39 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 1uph h HIS 33 CO 0.03 0.96 -0.10 0.82 0.86 0.00 0.00 177.93 180.50 1uph h ILE 34 N 0.41 1.26 -0.41 2.45 2.04 -1.01 0.18 117.51 122.43 1uph h ILE 34 Ca 0.01 -1.22 -0.15 0.00 1.00 0.00 0.00 64.86 64.50 1uph h ILE 34 Cb 1.09 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1uph h ILE 34 CO 0.10 0.43 -0.33 0.58 0.00 0.00 0.00 178.15 178.92 1uph h VAL 35 N 0.84 1.27 -0.06 1.67 2.07 0.02 0.27 116.25 122.33 1uph h VAL 35 Ca 0.14 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.15 1uph h VAL 35 Cb 0.63 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1uph h VAL 35 CO 0.04 0.51 0.02 -0.25 0.02 0.00 0.00 177.57 177.91 1uph h TRP 36 N 0.78 0.09 -0.53 1.57 7.01 -0.82 -0.17 115.95 123.89 1uph h TRP 36 Ca 0.08 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.04 1uph h TRP 36 Cb 0.92 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.93 1uph h TRP 36 CO 0.06 0.25 0.22 0.00 -2.79 0.00 0.00 178.44 176.17 1uph h ALA 37 N 0.84 1.39 -0.41 2.65 0.00 -0.55 -1.21 119.26 121.97 1uph h ALA 37 Ca 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1uph h ALA 37 Cb 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1uph h ALA 37 CO -0.00 0.46 0.25 1.03 0.00 0.00 0.00 179.25 180.99 1uph h SER 38 N 0.75 0.49 -0.57 0.00 0.87 0.05 -0.75 113.55 114.38 1uph h SER 38 Ca 0.18 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 1uph h SER 38 Cb 0.14 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 1uph h SER 38 CO -0.02 0.41 0.25 -0.09 -0.53 0.00 0.00 176.83 176.85 1uph h ARG 39 N 0.54 0.84 -0.33 2.24 9.65 -0.42 -1.37 114.38 125.53 1uph h ARG 39 Ca 0.15 -0.14 0.04 0.00 -1.10 0.00 0.00 59.98 58.93 1uph h ARG 39 Cb 0.00 -0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.40 1uph h ARG 39 CO -0.03 0.71 0.11 1.49 2.80 0.00 0.00 179.97 185.05 1uph h GLU 40 N 0.78 0.24 -0.01 0.20 4.57 -0.84 0.20 114.58 119.73 1uph h GLU 40 Ca 0.19 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.37 1uph h GLU 40 Cb 0.16 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 1uph h GLU 40 CO -0.02 0.16 -0.08 -0.07 -1.18 0.00 0.00 179.01 177.82 1uph h LEU 41 N 0.25 -0.22 -1.70 1.64 4.07 -0.87 0.49 115.31 118.97 1uph h LEU 41 Ca 0.15 0.03 0.08 0.00 0.08 0.00 0.00 57.88 58.22 1uph h LEU 41 Cb 0.12 0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.93 1uph h LEU 41 CO -0.16 -0.11 0.34 -0.08 -1.08 0.00 0.00 178.44 177.35 1uph h GLU 42 N -0.13 0.35 0.00 1.13 4.81 -0.75 0.29 114.58 120.27 1uph h GLU 42 Ca 0.03 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1uph h GLU 42 Cb 0.17 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 1uph h GLU 42 CO -0.08 0.23 -0.12 0.00 -0.73 0.00 0.00 179.01 178.30 1uph h ARG 43 N 0.36 0.00 -0.00 1.92 3.08 0.68 -3.06 114.38 117.36 1uph h ARG 43 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1uph h ARG 43 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1uph h ARG 43 CO -0.05 0.12 -0.21 1.19 -1.07 0.00 0.00 179.97 179.95 1uph n PHE 44 N -3.13 0.00 -2.25 3.04 3.72 0.16 -4.92 117.46 114.08 1uph n PHE 44 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1uph n PHE 44 Cb 0.58 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 1uph n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1uph n ALA 45 N -1.39 0.00 -2.52 4.37 0.00 -0.56 -5.06 120.51 115.35 1uph n ALA 45 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.27 1uph n ALA 45 Cb 0.33 -0.46 -0.13 0.00 0.00 0.00 0.00 19.45 19.18 1uph n ALA 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1uph s VAL 46 N -2.91 1.68 0.02 0.00 0.11 -0.64 -5.04 120.40 113.62 1uph s VAL 46 Ca 0.00 -1.38 -0.30 0.00 -2.93 0.00 0.00 61.98 57.37 1uph s VAL 46 Cb 0.00 -1.50 -0.04 0.00 -1.53 0.00 0.00 36.38 33.31 1uph s VAL 46 CO 0.00 0.06 1.15 0.21 -3.33 0.00 0.00 175.10 173.19 1uph s ASN 47 N -1.56 7.14 0.14 3.54 2.47 -1.26 -3.96 114.94 121.44 1uph s ASN 47 Ca 0.07 1.88 -0.04 0.00 0.42 0.00 0.00 52.86 55.19 1uph s ASN 47 Cb -0.09 -2.57 -0.06 0.00 -1.45 0.00 0.00 41.25 37.08 1uph s ASN 47 CO 0.03 -0.45 1.34 1.55 -3.72 0.00 0.00 177.10 175.85 1uph h PRO 48 N 6.96 0.44 -0.82 0.43 0.13 -1.93 -3.20 132.00 134.01 1uph h PRO 48 Ca -0.39 -0.43 -0.00 0.00 -0.87 0.00 0.00 66.00 64.31 1uph h PRO 48 Cb 1.20 0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 1uph h PRO 48 CO 0.82 1.08 0.51 0.78 -0.23 0.00 0.00 178.00 180.95 1uph h GLY 49 N 1.19 1.17 2.00 1.56 0.00 -1.92 0.84 103.07 107.91 1uph h GLY 49 Ca -0.06 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1uph h GLY 49 CO 0.15 0.46 0.00 0.17 0.00 0.00 0.00 176.54 177.32 1uph h LEU 50 N 1.12 0.00 0.00 3.11 8.10 -1.87 -1.13 115.31 124.64 1uph h LEU 50 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.29 1uph h LEU 50 Cb -0.07 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.15 1uph h LEU 50 CO -0.06 0.00 0.00 -0.11 -4.11 0.00 0.00 178.44 174.16 1uph n LEU 51 N -2.49 0.00 0.00 0.17 0.00 0.29 -1.65 117.00 113.32 1uph n LEU 51 Ca 0.01 0.45 0.13 0.00 0.00 0.00 0.00 56.01 56.60 1uph n LEU 51 Cb 0.21 -0.45 0.67 0.00 0.00 0.00 0.00 43.42 43.84 1uph n LEU 51 CO 0.20 -0.23 0.93 1.21 0.00 0.00 0.00 177.39 179.50 1uph n GLU 52 N -1.45 0.43 -4.71 1.96 2.13 -0.43 -4.62 120.64 113.95 1uph n GLU 52 Ca 0.04 0.04 -0.33 0.00 0.66 0.00 0.00 57.16 57.57 1uph n GLU 52 Cb 0.15 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.23 1uph n GLU 52 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1uph s THR 53 N -2.49 3.32 0.54 6.31 -4.23 -0.66 -4.92 115.64 113.51 1uph s THR 53 Ca 0.26 -0.59 0.23 0.00 -1.18 0.00 0.00 61.69 60.42 1uph s THR 53 Cb 0.17 -2.38 0.35 0.00 1.34 0.00 0.00 72.50 71.98 1uph s THR 53 CO 0.38 0.55 2.07 0.28 -0.54 0.00 0.00 174.62 177.35 1uph h SER 54 N 6.16 0.00 -0.13 3.99 0.02 -1.86 -0.69 113.55 121.04 1uph h SER 54 Ca -0.35 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.55 1uph h SER 54 Cb 1.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 1uph h SER 54 CO 0.55 0.00 -0.11 -0.33 -1.14 0.00 0.00 176.83 175.81 1uph h GLU 55 N 0.00 0.29 -0.71 3.45 5.08 -1.94 -0.79 114.58 119.96 1uph h GLU 55 Ca 0.14 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1uph h GLU 55 Cb 0.57 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1uph h GLU 55 CO -0.00 0.68 0.42 0.78 -1.00 0.00 0.00 179.01 179.89 1uph h GLY 56 N -0.08 1.04 0.97 -3.84 0.00 -1.35 0.85 103.07 100.66 1uph h GLY 56 Ca 0.02 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 1uph h GLY 56 CO 0.03 0.42 0.17 0.00 0.00 0.00 0.00 176.54 177.16 1uph h ARG 58 N 0.68 1.20 -0.30 0.00 9.65 -0.53 -0.32 114.38 124.76 1uph h ARG 58 Ca 0.16 -0.09 -0.02 0.00 -1.10 0.00 0.00 59.98 58.93 1uph h ARG 58 Cb 0.26 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 1uph h ARG 58 CO -0.01 0.81 0.09 0.37 2.80 0.00 0.00 179.97 184.04 1uph h GLN 59 N 1.23 0.47 -0.05 0.20 4.15 -0.32 0.32 115.11 121.12 1uph h GLN 59 Ca 0.33 -0.10 0.01 0.00 0.77 0.00 0.00 58.65 59.66 1uph h GLN 59 Cb -0.11 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 1uph h GLN 59 CO -0.07 0.52 -0.01 0.82 -1.93 0.00 0.00 178.83 178.15 1uph h ILE 60 N 0.33 0.94 -0.69 2.39 2.04 -0.67 0.35 117.51 122.20 1uph h ILE 60 Ca 0.10 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.01 1uph h ILE 60 Cb 0.24 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1uph h ILE 60 CO -0.00 0.00 0.46 0.25 0.00 0.00 0.00 178.15 178.85 1uph h LEU 61 N -0.00 0.65 -0.80 1.44 5.85 -0.92 0.14 115.31 121.67 1uph h LEU 61 Ca 0.02 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 1uph h LEU 61 Cb 0.04 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1uph h LEU 61 CO -0.05 0.43 -0.41 1.23 -0.34 0.00 0.00 178.44 179.29 1uph h GLY 62 N 0.74 0.00 1.35 3.75 0.00 0.21 0.47 103.07 109.59 1uph h GLY 62 Ca 0.29 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.39 1uph h GLY 62 CO -0.09 0.00 -0.92 -1.61 0.00 0.00 0.00 176.54 173.92 1uph h GLN 63 N 0.00 0.60 0.00 4.80 4.15 0.23 -3.16 115.11 121.73 1uph h GLN 63 Ca -0.00 -0.59 0.00 0.00 0.77 0.00 0.00 58.65 58.82 1uph h GLN 63 Cb 0.98 0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.82 1uph h GLN 63 CO 0.05 1.20 -0.75 -0.07 -1.93 0.00 0.00 178.83 177.33 1uph h LEU 64 N 0.37 0.00 -0.90 -2.39 3.38 -1.01 -3.38 115.31 111.39 1uph h LEU 64 Ca -0.09 -0.14 0.15 0.00 0.09 0.00 0.00 57.88 57.90 1uph h LEU 64 Cb 1.55 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.15 1uph h LEU 64 CO 0.17 0.07 -0.31 1.67 0.09 0.00 0.00 178.44 180.13 1uph n GLN 65 N -2.34 -0.17 0.05 1.13 7.27 0.16 0.11 117.38 123.58 1uph n GLN 65 Ca 0.02 1.39 -0.14 0.00 0.07 0.00 0.00 57.00 58.34 1uph n GLN 65 Cb 0.48 -2.06 -0.04 0.00 2.41 0.00 0.00 30.24 31.03 1uph n GLN 65 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1uph h PRO 66 N 0.00 0.50 -0.02 3.69 0.13 -1.75 -3.05 132.00 131.50 1uph h PRO 66 Ca 0.35 -0.48 0.01 0.00 -0.87 0.00 0.00 66.00 65.00 1uph h PRO 66 Cb 0.57 0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 1uph h PRO 66 CO -0.90 1.12 0.02 0.77 -0.23 0.00 0.00 178.00 178.78 1uph h SER 67 N 0.30 0.00 -0.38 1.44 0.02 0.22 0.40 113.55 115.56 1uph h SER 67 Ca -0.07 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1uph h SER 67 Cb 1.50 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.02 1uph h SER 67 CO 0.16 0.00 0.19 -0.07 -1.14 0.00 0.00 176.83 175.97 1uph h LEU 68 N 0.00 0.52 -0.15 5.07 -0.00 0.84 -1.74 115.31 119.85 1uph h LEU 68 Ca 0.01 -0.04 0.01 0.00 -0.00 0.00 0.00 57.88 57.86 1uph h LEU 68 Cb 0.05 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.56 1uph h LEU 68 CO -0.00 0.45 -0.09 1.67 -0.00 0.00 0.00 178.44 180.47 1uph n GLN 69 N -4.40 -0.07 -2.03 1.13 7.27 0.13 -1.47 117.38 117.95 1uph n GLN 69 Ca 0.03 0.89 -0.29 0.00 0.07 0.00 0.00 57.00 57.70 1uph n GLN 69 Cb 0.12 -1.33 0.03 0.00 2.41 0.00 0.00 30.24 31.47 1uph n GLN 69 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 1uph n THR 70 N -3.23 2.82 -2.06 1.69 5.66 -1.19 -5.04 114.28 112.94 1uph n THR 70 Ca 0.00 -4.22 -0.28 0.00 -3.05 0.00 0.00 64.05 56.50 1uph n THR 70 Cb 0.04 -1.20 0.11 0.00 -1.55 0.00 0.00 70.33 67.73 1uph n THR 70 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1uph s GLY 71 N -2.92 1.68 0.52 1.09 0.00 -0.54 -5.09 107.32 102.06 1uph s GLY 71 Ca 0.53 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 44.32 1uph s GLY 71 CO -0.10 -0.42 0.74 -1.35 0.00 0.00 0.00 173.10 171.97 1uph s SER 72 N -4.64 5.39 0.21 1.64 1.04 -1.26 -4.90 113.70 111.17 1uph s SER 72 Ca 0.64 -0.03 -0.10 0.00 0.48 0.00 0.00 55.95 56.95 1uph s SER 72 Cb -0.09 -0.93 0.17 0.00 0.10 0.00 0.00 66.02 65.27 1uph s SER 72 CO 0.48 -1.04 1.86 -0.33 0.98 0.00 0.00 173.24 175.19 1uph h GLU 73 N 0.18 0.90 -0.30 4.02 5.08 -1.98 0.28 114.58 122.75 1uph h GLU 73 Ca -0.42 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 57.81 1uph h GLU 73 Cb 1.29 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1uph h GLU 73 CO 0.52 0.59 -0.08 0.93 -1.00 0.00 0.00 179.01 179.97 1uph h GLU 74 N 0.92 0.58 -0.46 2.33 3.07 -1.99 -1.44 114.58 117.59 1uph h GLU 74 Ca 0.28 -0.23 -0.01 0.00 -0.50 0.00 0.00 59.36 58.89 1uph h GLU 74 Cb -0.04 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 1uph h GLU 74 CO -0.08 0.78 0.22 1.25 -1.40 0.00 0.00 179.01 179.78 1uph h LEU 75 N 0.35 0.57 0.12 1.33 6.46 -1.83 -1.22 115.31 121.09 1uph h LEU 75 Ca 0.08 -0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1uph h LEU 75 Cb 0.57 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 1uph h LEU 75 CO 0.03 0.49 -0.06 0.03 -0.62 0.00 0.00 178.44 178.31 1uph h ARG 76 N 0.64 -0.15 -0.93 1.25 2.47 -0.16 -0.80 114.38 116.70 1uph h ARG 76 Ca 0.16 0.01 0.12 0.00 -1.26 0.00 0.00 59.98 59.01 1uph h ARG 76 Cb 0.06 0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 28.35 1uph h ARG 76 CO -0.02 0.14 0.59 1.03 0.56 0.00 0.00 179.97 182.27 1uph h SER 77 N -0.45 0.80 -0.29 7.04 0.87 -0.88 -0.21 113.55 120.43 1uph h SER 77 Ca -0.02 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 1uph h SER 77 Cb 0.37 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1uph h SER 77 CO 0.03 0.44 0.05 0.25 -0.53 0.00 0.00 176.83 177.07 1uph h LEU 78 N 0.87 0.46 -0.76 2.23 6.46 -1.04 -0.90 115.31 122.62 1uph h LEU 78 Ca 0.45 -0.26 0.08 0.00 -0.12 0.00 0.00 57.88 58.03 1uph h LEU 78 Cb 0.52 -0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 40.27 1uph h LEU 78 CO -0.21 0.60 0.43 0.22 -0.62 0.00 0.00 178.44 178.85 1uph h TYR 79 N 0.30 0.78 -0.54 1.25 3.20 0.41 0.33 116.97 122.70 1uph h TYR 79 Ca 0.09 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 1uph h TYR 79 Cb 0.33 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 1uph h TYR 79 CO 0.02 0.35 0.09 -0.91 -1.64 0.00 0.00 178.16 176.07 1uph h ASN 80 N 0.76 0.86 -0.69 -2.11 -0.26 -0.92 -1.19 115.58 112.02 1uph h ASN 80 Ca 0.35 -0.26 -0.03 0.00 -0.56 0.00 0.00 56.30 55.81 1uph h ASN 80 Cb 0.27 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.27 1uph h ASN 80 CO -0.21 0.89 0.32 0.74 -1.06 0.00 0.00 177.43 178.11 1uph h THR 81 N 0.78 1.23 -0.25 2.81 2.02 0.04 -0.80 112.91 118.75 1uph h THR 81 Ca 0.17 -0.67 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 1uph h THR 81 Cb 0.40 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1uph h THR 81 CO 0.01 0.28 0.15 0.40 0.37 0.00 0.00 175.52 176.73 1uph h ILE 82 N 0.96 1.09 -0.70 3.11 2.04 -0.12 0.03 117.51 123.93 1uph h ILE 82 Ca 0.24 -0.22 0.06 0.00 1.00 0.00 0.00 64.86 65.93 1uph h ILE 82 Cb 0.14 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 1uph h ILE 82 CO -0.03 0.09 0.40 0.00 0.00 0.00 0.00 178.15 178.61 1uph h ALA 83 N 1.05 0.94 -0.86 1.87 0.00 -0.87 -0.28 119.26 121.12 1uph h ALA 83 Ca 0.09 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1uph h ALA 83 Cb 0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1uph h ALA 83 CO -0.02 0.09 0.57 0.28 0.00 0.00 0.00 179.25 180.17 1uph h VAL 84 N 0.74 1.22 -0.43 0.00 2.07 -0.57 -0.13 116.25 119.15 1uph h VAL 84 Ca 0.31 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1uph h VAL 84 Cb 0.17 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.87 1uph h VAL 84 CO -0.18 0.21 0.25 0.25 0.02 0.00 0.00 177.57 178.13 1uph h LEU 85 N 1.16 0.41 -1.17 2.57 5.85 0.54 -0.38 115.31 124.29 1uph h LEU 85 Ca 0.31 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 1uph h LEU 85 Cb -0.13 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1uph h LEU 85 CO -0.07 0.29 0.28 0.22 -0.34 0.00 0.00 178.44 178.83 1uph h TYR 86 N 0.51 0.86 -0.67 1.25 5.03 -0.33 0.74 116.97 124.35 1uph h TYR 86 Ca 0.17 -0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.41 1uph h TYR 86 Cb 0.01 -0.27 -0.03 0.00 1.55 0.00 0.00 36.73 37.99 1uph h TYR 86 CO -0.07 0.63 0.26 0.00 -1.32 0.00 0.00 178.16 177.66 1uph h VAL 88 N 0.96 1.28 -0.03 0.00 2.07 -0.26 0.50 116.25 120.77 1uph h VAL 88 Ca 0.22 -1.37 -0.12 0.00 0.82 0.00 0.00 66.70 66.25 1uph h VAL 88 Cb 0.23 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1uph h VAL 88 CO -0.02 0.42 -0.54 0.45 0.02 0.00 0.00 177.57 177.90 1uph h HIS 89 N 0.27 0.10 0.00 1.57 3.86 0.00 -2.68 115.15 118.27 1uph h HIS 89 Ca 0.03 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1uph h HIS 89 Cb 0.73 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.18 1uph h HIS 89 CO 0.02 0.61 -0.71 0.37 0.86 0.00 0.00 177.93 179.07 1uph h GLN 90 N 0.06 0.00 -2.44 2.45 5.75 -0.13 -3.45 115.11 117.36 1uph h GLN 90 Ca -0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1uph h GLN 90 Cb 0.98 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.54 1uph h GLN 90 CO 0.08 0.00 -0.04 -2.13 -2.65 0.00 0.00 178.83 174.08 1uph n ARG 91 N -2.23 -0.30 -4.44 1.69 3.00 0.13 -5.06 116.66 109.46 1uph n ARG 91 Ca 0.03 0.05 -0.34 0.00 -0.00 0.00 0.00 57.85 57.59 1uph n ARG 91 Cb 0.46 -2.44 -0.12 0.00 0.00 0.00 0.00 32.46 30.36 1uph n ARG 91 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1uph s ILE 92 N -3.02 3.88 0.09 5.15 1.01 0.12 -5.00 121.20 123.42 1uph s ILE 92 Ca 0.01 -0.37 -0.31 0.00 0.00 0.00 0.00 60.65 59.98 1uph s ILE 92 Cb -0.00 -2.68 -0.09 0.00 0.01 0.00 0.00 42.46 39.70 1uph s ILE 92 CO 0.04 0.52 1.65 -1.81 0.00 0.00 0.00 174.94 175.34 1uph s ASP 93 N 0.12 6.59 0.39 3.58 1.01 -1.26 -4.55 116.67 122.54 1uph s ASP 93 Ca -0.01 2.52 0.05 0.00 0.71 0.00 0.00 52.55 55.82 1uph s ASP 93 Cb -0.14 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.16 1uph s ASP 93 CO 0.03 -0.89 0.03 0.68 0.21 0.00 0.00 175.17 175.23 1uph s VAL 94 N 2.45 1.55 0.30 -1.27 -7.23 -1.26 -5.00 120.40 109.94 1uph s VAL 94 Ca 0.74 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 1uph s VAL 94 Cb -0.41 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 33.72 1uph s VAL 94 CO 0.32 0.00 0.00 0.29 -0.31 0.00 0.00 175.10 175.40 1uph n LYS 95 N -0.89 0.00 -4.43 4.82 5.02 -1.26 -4.89 118.16 116.52 1uph n LYS 95 Ca -0.05 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.02 1uph n LYS 95 Cb 0.67 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.58 1uph n LYS 95 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1uph s ASP 96 N -3.93 3.12 0.33 4.39 -4.77 -1.26 -0.06 116.67 114.49 1uph s ASP 96 Ca 0.00 -1.09 0.01 0.00 -3.30 0.00 0.00 52.55 48.17 1uph s ASP 96 Cb 0.00 -0.23 0.56 0.00 -1.09 0.00 0.00 42.92 42.17 1uph s ASP 96 CO 0.00 -0.14 2.00 0.74 0.70 0.00 0.00 175.17 178.46 1uph h THR 97 N 2.32 1.18 -0.31 2.11 2.02 -0.94 0.23 112.91 119.51 1uph h THR 97 Ca -0.40 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.41 1uph h THR 97 Cb 1.24 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1uph h THR 97 CO 0.64 0.17 0.03 0.50 0.37 0.00 0.00 175.52 177.23 1uph h LYS 98 N 0.96 0.54 -0.13 6.66 3.11 -1.84 -1.18 116.57 124.69 1uph h LYS 98 Ca 0.26 -0.16 -0.07 0.00 -2.81 0.00 0.00 60.65 57.87 1uph h LYS 98 Cb -0.11 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.06 1uph h LYS 98 CO -0.06 0.65 -0.23 0.93 -2.81 0.00 0.00 179.45 177.94 1uph h GLU 99 N 0.35 0.22 0.01 1.90 3.07 -1.76 0.30 114.58 118.67 1uph h GLU 99 Ca 0.09 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1uph h GLU 99 Cb 0.39 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1uph h GLU 99 CO 0.01 0.45 -0.00 0.00 -1.40 0.00 0.00 179.01 178.06 1uph h ALA 100 N 1.56 -0.01 -0.04 3.43 0.00 -0.21 0.39 119.26 124.38 1uph h ALA 100 Ca 0.03 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1uph h ALA 100 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1uph h ALA 100 CO 0.04 -0.37 -0.44 -0.07 0.00 0.00 0.00 179.25 178.41 1uph h LEU 101 N -0.28 0.10 -0.42 0.00 3.38 -0.99 -1.28 115.31 115.83 1uph h LEU 101 Ca -0.00 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1uph h LEU 101 Cb 0.27 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1uph h LEU 101 CO 0.00 0.53 -0.21 -0.78 0.09 0.00 0.00 178.44 178.07 1uph h ASP 102 N 0.08 0.91 -0.07 -0.43 1.82 -0.12 0.38 116.42 119.00 1uph h ASP 102 Ca 0.00 -0.41 -0.01 0.00 -0.39 0.00 0.00 57.03 56.23 1uph h ASP 102 Cb 0.81 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 40.57 1uph h ASP 102 CO 0.06 1.11 0.01 0.50 -1.61 0.00 0.00 179.24 179.32 1uph h LYS 103 N 0.70 0.11 -0.40 0.28 3.11 0.09 0.20 116.57 120.65 1uph h LYS 103 Ca 0.09 -0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.86 1uph h LYS 103 Cb 0.78 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.97 1uph h LYS 103 CO 0.06 0.32 0.05 0.82 -2.81 0.00 0.00 179.45 177.89 1uph h ILE 104 N -0.12 1.20 -0.55 2.00 2.04 -1.17 -0.88 117.51 120.02 1uph h ILE 104 Ca 0.02 -0.77 -0.12 0.00 1.00 0.00 0.00 64.86 65.00 1uph h ILE 104 Cb 0.26 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1uph h ILE 104 CO 0.00 0.27 -0.11 -0.33 0.00 0.00 0.00 178.15 177.99 1uph h GLU 105 N 0.59 1.05 0.28 2.37 5.08 0.11 -0.40 114.58 123.66 1uph h GLU 105 Ca 0.13 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1uph h GLU 105 Cb 0.30 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1uph h GLU 105 CO 0.01 1.08 -0.13 1.49 -1.00 0.00 0.00 179.01 180.45 1uph h GLU 106 N 0.93 -0.36 -0.12 2.33 4.22 -0.00 0.92 114.58 122.50 1uph h GLU 106 Ca 0.14 0.02 0.03 0.00 0.08 0.00 0.00 59.36 59.64 1uph h GLU 106 Cb 0.68 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 1uph h GLU 106 CO 0.05 -0.09 -0.10 1.49 -2.18 0.00 0.00 179.01 178.17 1uph h GLU 107 N -0.60 -0.11 -0.20 1.92 4.57 -1.16 0.58 114.58 119.56 1uph h GLU 107 Ca -0.04 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.19 1uph h GLU 107 Cb 0.43 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 1uph h GLU 107 CO 0.06 -0.08 -0.05 1.96 -1.18 0.00 0.00 179.01 179.73 1uph h GLN 108 N -0.12 0.01 -0.41 1.92 7.50 -1.04 0.25 115.11 123.22 1uph h GLN 108 Ca 0.08 -0.00 0.08 0.00 0.50 0.00 0.00 58.65 59.31 1uph h GLN 108 Cb 0.23 -0.00 -0.07 0.00 0.05 0.00 0.00 27.48 27.69 1uph h GLN 108 CO -0.19 0.00 -0.02 -0.91 -1.50 0.00 0.00 178.83 176.22 1uph h ASN 109 N 0.01 -0.21 -0.74 1.46 2.35 -0.32 0.23 115.58 118.37 1uph h ASN 109 Ca 0.10 0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.97 1uph h ASN 109 Cb 0.15 0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 1uph h ASN 109 CO -0.21 -0.06 0.47 0.50 -1.65 0.00 0.00 177.43 176.48 1uph h LYS 110 N 0.09 0.91 0.39 0.81 3.64 -0.13 -0.37 116.57 121.90 1uph h LYS 110 Ca 0.20 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1uph h LYS 110 Cb 0.29 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1uph h LYS 110 CO -0.35 0.60 -0.32 0.77 -2.27 0.00 0.00 179.45 177.88 1uph h SER 111 N 0.94 -0.86 -0.31 4.20 0.02 0.14 0.17 113.55 117.86 1uph h SER 111 Ca 0.29 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.37 1uph h SER 111 Cb -0.03 0.28 -0.07 0.00 0.14 0.00 0.00 62.40 62.72 1uph h SER 111 CO -0.09 -0.47 -0.20 0.11 -1.14 0.00 0.00 176.83 175.03 1uph h LYS 112 N -0.72 -0.17 -0.33 3.45 1.57 -0.30 0.14 116.57 120.21 1uph h LYS 112 Ca -0.03 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1uph h LYS 112 Cb 0.63 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.90 1uph h LYS 112 CO -0.02 -0.11 -0.20 -0.22 -0.57 0.00 0.00 179.45 178.33 1uph h LYS 113 N -0.17 -0.14 -0.24 3.15 3.64 -0.72 0.20 116.57 122.27 1uph h LYS 113 Ca 0.16 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 1uph h LYS 113 Cb 0.42 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.20 1uph h LYS 113 CO -0.41 -0.10 -0.23 -0.22 -2.27 0.00 0.00 179.45 176.22 1uph h LYS 114 N -0.15 -0.22 -0.30 1.90 3.64 0.74 0.20 116.57 122.38 1uph h LYS 114 Ca 0.17 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.63 1uph h LYS 114 Cb 0.41 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.21 1uph h LYS 114 CO -0.43 -0.15 -0.21 0.00 -2.27 0.00 0.00 179.45 176.40 1uph h ALA 115 N 0.83 -0.02 -0.32 5.00 0.00 0.58 0.34 119.26 125.67 1uph h ALA 115 Ca 0.14 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.22 1uph h ALA 115 Cb 0.44 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 1uph h ALA 115 CO -0.38 -0.61 -0.14 0.37 0.00 0.00 0.00 179.25 178.49 1uph h GLN 116 N -0.18 -0.08 -0.35 0.00 4.15 0.56 0.17 115.11 119.38 1uph h GLN 116 Ca 0.16 0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.66 1uph h GLN 116 Cb 0.42 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.06 1uph h GLN 116 CO -0.41 -0.05 -0.13 1.96 -1.93 0.00 0.00 178.83 178.27 1uph h GLN 117 N -0.08 -0.06 0.53 1.69 1.08 0.55 -0.46 115.11 118.35 1uph h GLN 117 Ca 0.16 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.35 1uph h GLN 117 Cb 0.33 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 1uph h GLN 117 CO -0.38 -0.04 -0.43 0.00 -0.95 0.00 0.00 178.83 177.03 1uph h ALA 118 N 1.24 -1.00 -0.95 3.87 0.00 0.02 0.13 119.26 122.57 1uph h ALA 118 Ca 0.17 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1uph h ALA 118 Cb 0.33 0.59 -0.12 0.00 0.00 0.00 0.00 17.79 18.59 1uph h ALA 118 CO -0.40 -1.09 -0.59 0.00 0.00 0.00 0.00 179.25 177.17 1uph h ALA 119 N -0.68 -0.57 -0.14 0.00 0.00 -0.14 0.33 119.26 118.07 1uph h ALA 119 Ca -0.06 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1uph h ALA 119 Cb 0.80 1.36 -0.06 0.00 0.00 0.00 0.00 17.79 19.89 1uph h ALA 119 CO -0.01 -0.98 -0.30 0.00 0.00 0.00 0.00 179.25 177.97 1uph h ALA 120 N 0.45 -0.32 -0.57 0.00 0.00 -0.84 -2.42 119.26 115.57 1uph h ALA 120 Ca 0.15 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1uph h ALA 120 Cb 0.43 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 1uph h ALA 120 CO -0.91 -0.77 -0.35 0.22 0.00 0.00 0.00 179.25 177.43 1uph h ASP 121 N -0.37 -1.29 -4.43 0.00 1.82 0.24 -3.40 116.42 108.99 1uph h ASP 121 Ca 0.10 0.19 -0.47 0.00 -0.39 0.00 0.00 57.03 56.47 1uph h ASP 121 Cb 0.52 0.57 0.11 0.00 0.68 0.00 0.00 39.33 41.21 1uph h ASP 121 CO -0.35 -0.15 0.36 0.28 -1.61 0.00 0.00 179.24 177.77 1uph s THR 122 N -4.52 2.17 0.16 2.25 -1.32 0.16 -4.92 115.64 109.62 1uph s THR 122 Ca -0.07 0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1uph s THR 122 Cb 0.06 -2.93 0.00 0.00 -1.51 0.00 0.00 72.50 68.12 1uph s THR 122 CO 0.37 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.32 1uph n GLY 123 N -2.74 -3.21 3.66 6.08 0.00 -1.26 -4.81 105.19 102.91 1uph n GLY 123 Ca 0.07 -1.15 -0.02 0.00 0.00 0.00 0.00 46.02 44.92 1uph n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uph s ASN 124 N -3.37 -0.15 -0.12 1.61 -0.87 -1.26 -5.00 114.94 105.77 1uph s ASN 124 Ca 0.00 -0.21 -0.33 0.00 -1.57 0.00 0.00 52.86 50.74 1uph s ASN 124 Cb 0.00 0.32 0.14 0.00 -0.02 0.00 0.00 41.25 41.69 1uph s ASN 124 CO 0.00 -0.58 1.32 0.54 -2.57 0.00 0.00 177.10 175.82 1uph s ASN 125 N -2.81 -0.05 0.24 -1.22 4.22 -1.26 -5.19 114.94 108.85 1uph s ASN 125 Ca 0.12 -0.05 -0.22 0.00 -2.14 0.00 0.00 52.86 50.56 1uph s ASN 125 Cb 0.01 0.10 0.04 0.00 1.28 0.00 0.00 41.25 42.67 1uph s ASN 125 CO -0.02 -0.17 0.82 -0.55 -2.04 0.00 0.00 177.10 175.14 1uph s SER 126 N -2.64 -0.21 0.26 3.54 0.15 -1.26 -5.19 113.70 108.35 1uph s SER 126 Ca 0.13 -0.55 -0.09 0.00 0.70 0.00 0.00 55.95 56.13 1uph s SER 126 Cb 0.03 0.64 -0.01 0.00 -1.71 0.00 0.00 66.02 64.97 1uph s SER 126 CO -0.04 -1.19 0.43 0.00 1.20 0.00 0.00 173.24 173.63 1uph s GLN 127 N -3.60 1.56 0.39 5.44 -2.07 -1.26 -5.18 119.66 114.93 1uph s GLN 127 Ca 0.12 -1.39 0.08 0.00 -1.82 0.00 0.00 55.36 52.35 1uph s GLN 127 Cb -0.04 0.44 -0.06 0.00 -1.09 0.00 0.00 33.01 32.26 1uph s GLN 127 CO 0.05 -0.63 0.08 0.54 -1.32 0.00 0.00 175.29 174.01 1uph s VAL 128 N -3.87 2.34 0.24 3.63 0.11 -1.26 -5.16 120.40 116.44 1uph s VAL 128 Ca 0.26 -1.87 0.01 0.00 -2.93 0.00 0.00 61.98 57.44 1uph s VAL 128 Cb 0.01 -2.92 -0.04 0.00 -1.53 0.00 0.00 36.38 31.89 1uph s VAL 128 CO 0.11 -0.07 0.12 -0.94 -3.33 0.00 0.00 175.10 170.99 1uph s SER 129 N -3.79 0.80 0.23 3.54 1.04 -1.26 -5.18 113.70 109.08 1uph s SER 129 Ca 0.37 -1.41 -0.02 0.00 0.48 0.00 0.00 55.95 55.38 1uph s SER 129 Cb 0.04 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 1uph s SER 129 CO 0.20 -0.80 0.20 -1.58 0.98 0.00 0.00 173.24 172.25 1uph s GLN 130 N -4.06 1.33 -0.18 4.02 0.74 -1.26 -5.17 119.66 115.08 1uph s GLN 130 Ca 0.38 -1.63 -0.35 0.00 0.05 0.00 0.00 55.36 53.81 1uph s GLN 130 Cb 0.07 0.31 0.15 0.00 1.10 0.00 0.00 33.01 34.64 1uph s GLN 130 CO 0.14 -0.47 1.41 1.21 -0.55 0.00 0.00 175.29 177.03 1uph s ASN 131 N -3.17 -0.01 0.00 6.67 3.84 -1.26 -5.37 114.94 115.64 1uph s ASN 131 Ca 0.37 -0.01 0.03 0.00 0.21 0.00 0.00 52.86 53.46 1uph s ASN 131 Cb 0.05 0.02 0.15 0.00 -0.55 0.00 0.00 41.25 40.92 1uph s ASN 131 CO 0.14 -0.03 0.64 0.00 -2.79 0.00 0.00 177.10 175.06