#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uph s ALA 3 N 0.00 2.93 0.57 4.61 0.00 -1.26 -4.82 121.76 123.78 1uph s ALA 3 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1uph s ALA 3 Cb 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 19.03 1uph s ALA 3 CO 0.00 -2.86 0.00 0.54 0.00 0.00 0.00 175.76 173.44 1uph n ARG 4 N 8.68 -3.01 -3.68 0.00 5.12 -1.26 -4.89 116.66 117.62 1uph n ARG 4 Ca 0.06 2.47 -0.29 0.00 -1.93 0.00 0.00 57.85 58.16 1uph n ARG 4 Cb 0.49 -3.58 -0.04 0.00 -1.16 0.00 0.00 32.46 28.17 1uph n ARG 4 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1uph s ALA 5 N -4.45 3.82 -0.07 7.54 0.00 -1.26 -5.01 121.76 122.32 1uph s ALA 5 Ca 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.26 1uph s ALA 5 Cb 0.00 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1uph s ALA 5 CO 0.00 0.55 -0.06 0.43 0.00 0.00 0.00 175.76 176.68 1uph n SER 6 N -0.30 3.48 0.21 0.00 7.64 -1.26 -4.72 113.62 118.68 1uph n SER 6 Ca -0.04 -0.04 -0.14 0.00 1.01 0.00 0.00 58.87 59.67 1uph n SER 6 Cb 0.53 -0.08 -0.08 0.00 -1.01 0.00 0.00 64.21 63.57 1uph n SER 6 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1uph h VAL 7 N 0.00 0.55 -3.27 0.44 2.07 -1.86 -3.41 116.25 110.77 1uph h VAL 7 Ca -0.15 -0.43 -0.67 0.00 0.82 0.00 0.00 66.70 66.27 1uph h VAL 7 Cb 1.24 0.74 -0.31 0.00 -1.52 0.00 0.00 31.29 31.44 1uph h VAL 7 CO -0.02 0.07 -0.82 -0.76 0.02 0.00 0.00 177.57 176.06 1uph s LEU 8 N -9.63 2.38 0.00 2.57 1.43 -1.26 -4.06 118.68 110.11 1uph s LEU 8 Ca -0.15 -0.50 -0.07 0.00 -1.03 0.00 0.00 54.13 52.39 1uph s LEU 8 Cb 0.02 -1.53 0.10 0.00 0.03 0.00 0.00 46.19 44.81 1uph s LEU 8 CO 0.54 0.09 0.40 -1.54 0.23 0.00 0.00 176.35 176.07 1uph n SER 9 N 4.00 -0.99 0.33 2.29 3.41 -1.26 -4.54 113.62 116.86 1uph n SER 9 Ca -0.19 -0.85 -0.18 0.00 -0.26 0.00 0.00 58.87 57.40 1uph n SER 9 Cb 0.52 -0.34 -0.09 0.00 -0.26 0.00 0.00 64.21 64.04 1uph n SER 9 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1uph h GLY 10 N -1.08 -1.03 0.99 5.00 0.00 -1.98 0.53 103.07 105.50 1uph h GLY 10 Ca -0.14 0.44 -0.09 0.00 0.00 0.00 0.00 47.33 47.55 1uph h GLY 10 CO 0.10 -0.36 -0.06 -1.33 0.00 0.00 0.00 176.54 174.88 1uph h GLY 11 N -0.94 0.88 1.91 4.60 0.00 -1.99 -1.16 103.07 106.37 1uph h GLY 11 Ca -0.07 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 1uph h GLY 11 CO 0.05 0.63 0.02 0.83 0.00 0.00 0.00 176.54 178.07 1uph h GLU 12 N 0.64 0.12 -0.02 4.80 5.08 -1.87 0.05 114.58 123.39 1uph h GLU 12 Ca 0.12 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 1uph h GLU 12 Cb 0.58 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.81 1uph h GLU 12 CO 0.03 0.12 -0.47 1.25 -1.00 0.00 0.00 179.01 178.95 1uph h LEU 13 N 0.13 0.45 -1.03 1.33 7.12 0.43 0.45 115.31 124.18 1uph h LEU 13 Ca 0.03 -0.74 0.06 0.00 0.13 0.00 0.00 57.88 57.36 1uph h LEU 13 Cb 0.06 -0.14 -0.06 0.00 -0.53 0.00 0.00 40.66 39.99 1uph h LEU 13 CO -0.00 1.12 0.64 -0.78 -0.13 0.00 0.00 178.44 179.30 1uph h ASP 14 N -0.18 1.04 0.09 1.25 1.82 -0.51 0.41 116.42 120.34 1uph h ASP 14 Ca -0.05 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.34 1uph h ASP 14 Cb 1.18 -0.22 0.02 0.00 0.68 0.00 0.00 39.33 41.00 1uph h ASP 14 CO 0.09 0.67 -1.04 0.50 -1.61 0.00 0.00 179.24 177.86 1uph h LYS 15 N 1.18 0.54 -0.49 0.28 1.63 -1.01 -3.13 116.57 115.57 1uph h LYS 15 Ca 0.42 -0.71 0.08 0.00 -0.85 0.00 0.00 60.65 59.60 1uph h LYS 15 Cb 0.13 0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 1uph h LYS 15 CO -0.16 1.30 0.34 2.35 -3.45 0.00 0.00 179.45 179.83 1uph h TRP 16 N 0.10 0.33 -0.52 1.91 2.91 0.68 0.32 115.95 121.68 1uph h TRP 16 Ca -0.16 0.01 -0.29 0.00 1.13 0.00 0.00 58.89 59.59 1uph h TRP 16 Cb 1.74 -0.11 -0.16 0.00 -0.51 0.00 0.00 29.16 30.13 1uph h TRP 16 CO 0.13 0.16 0.37 -0.85 -1.03 0.00 0.00 178.44 177.22 1uph n GLU 17 N -4.47 1.69 0.00 2.65 0.28 0.14 -3.46 120.64 117.47 1uph n GLU 17 Ca 0.07 -1.59 0.01 0.00 -0.16 0.00 0.00 57.16 55.49 1uph n GLU 17 Cb 0.34 -1.63 -0.01 0.00 1.43 0.00 0.00 31.44 31.57 1uph n GLU 17 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1uph n LYS 18 N -0.25 4.13 -3.10 3.44 0.00 0.11 -4.69 118.16 117.80 1uph n LYS 18 Ca 0.32 -0.20 -0.39 0.00 0.00 0.00 0.00 58.31 58.03 1uph n LYS 18 Cb 1.02 -0.76 -0.05 0.00 0.00 0.00 0.00 35.03 35.23 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 -0.99 4.96 0.34 3.15 1.09 -1.22 -4.65 121.20 123.87 1uph s ILE 19 Ca 0.02 1.39 -0.16 0.00 -1.10 0.00 0.00 60.65 60.79 1uph s ILE 19 Cb 0.02 -4.01 -0.09 0.00 -1.06 0.00 0.00 42.46 37.32 1uph s ILE 19 CO 0.10 0.32 0.78 -0.13 -0.10 0.00 0.00 174.94 175.91 1uph s ARG 20 N 0.35 4.06 0.03 2.79 0.52 0.10 -0.41 118.95 126.39 1uph s ARG 20 Ca 0.35 0.77 -0.14 0.00 -0.52 0.00 0.00 55.73 56.19 1uph s ARG 20 Cb -0.18 -2.41 -0.35 0.00 0.52 0.00 0.00 34.95 32.53 1uph s ARG 20 CO 0.18 0.14 0.99 -0.07 0.02 0.00 0.00 175.30 176.56 1uph h LEU 21 N 2.26 0.78 -8.48 2.53 3.38 -0.58 0.12 115.31 115.32 1uph h LEU 21 Ca -0.48 -0.85 -0.40 0.00 0.09 0.00 0.00 57.88 56.23 1uph h LEU 21 Cb 1.18 -0.25 -0.20 0.00 0.09 0.00 0.00 40.66 41.47 1uph h LEU 21 CO 0.65 1.67 -0.77 -0.13 0.09 0.00 0.00 178.44 179.95 1uph s ARG 22 N -2.61 0.89 0.14 1.13 3.00 -1.26 -4.48 118.95 115.76 1uph s ARG 22 Ca -0.09 -1.07 -0.05 0.00 0.00 0.00 0.00 55.73 54.52 1uph s ARG 22 Cb 0.05 -0.83 -0.07 0.00 0.00 0.00 0.00 34.95 34.10 1uph s ARG 22 CO 0.93 0.17 1.33 -1.00 0.00 0.00 0.00 175.30 176.74 1uph h PRO 23 N 3.95 0.46 -0.02 3.54 0.13 -1.96 -3.22 132.00 134.88 1uph h PRO 23 Ca -0.40 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.28 1uph h PRO 23 Cb 1.19 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1uph h PRO 23 CO 0.45 1.10 -0.05 0.41 -0.23 0.00 0.00 178.00 179.67 1uph n GLY 24 N 0.83 0.62 0.65 1.56 0.00 -1.26 -4.97 105.19 102.63 1uph n GLY 24 Ca -0.06 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.31 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 1.21 1.17 2.61 -0.02 0.00 -1.22 -5.06 105.19 103.89 1uph n GLY 25 Ca 0.12 -2.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.27 1.97 -4.53 1.61 2.85 -1.26 -4.81 118.16 112.71 1uph n LYS 26 Ca 0.03 -3.63 -0.25 0.00 -1.05 0.00 0.00 58.31 53.40 1uph n LYS 26 Cb 0.10 -1.63 -0.10 0.00 -0.65 0.00 0.00 35.03 32.74 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 -3.46 1.79 0.34 -1.58 -0.14 -1.26 -5.02 119.74 110.41 1uph s LYS 27 Ca 0.33 -1.91 -0.07 0.00 -1.36 0.00 0.00 55.97 52.96 1uph s LYS 27 Cb 0.40 -1.69 0.03 0.00 -1.68 0.00 0.00 37.83 34.89 1uph s LYS 27 CO -0.02 0.17 0.58 0.00 -0.76 0.00 0.00 175.35 175.31 1uph n GLN 28 N -0.76 0.83 -2.01 1.68 10.64 -1.26 0.14 117.38 126.64 1uph n GLN 28 Ca -0.05 -2.37 -0.32 0.00 -1.83 0.00 0.00 57.00 52.43 1uph n GLN 28 Cb 0.63 2.54 0.00 0.00 -0.86 0.00 0.00 30.24 32.55 1uph n GLN 28 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 1uph s TYR 29 N -2.91 3.41 0.26 2.61 1.51 0.45 -4.67 117.35 118.02 1uph s TYR 29 Ca 0.22 1.39 -0.19 0.00 -1.01 0.00 0.00 57.07 57.48 1uph s TYR 29 Cb -0.03 -2.80 0.07 0.00 -0.11 0.00 0.00 41.96 39.09 1uph s TYR 29 CO 0.16 -0.73 0.96 0.21 -1.11 0.00 0.00 175.55 175.04 1uph s LYS 30 N -4.68 1.67 0.67 -0.62 2.20 -1.26 -4.35 119.74 113.37 1uph s LYS 30 Ca 0.58 -1.08 0.39 0.00 -0.36 0.00 0.00 55.97 55.49 1uph s LYS 30 Cb -0.12 0.46 2.12 0.00 -1.51 0.00 0.00 37.83 38.78 1uph s LYS 30 CO 0.45 -0.78 2.20 -0.07 -0.36 0.00 0.00 175.35 176.78 1uph h LEU 31 N 2.00 0.00 -0.22 5.43 4.07 -1.97 0.10 115.31 124.72 1uph h LEU 31 Ca -0.30 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.60 1uph h LEU 31 Cb 1.23 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.96 1uph h LEU 31 CO 0.39 0.00 -0.10 0.50 -1.08 0.00 0.00 178.44 178.15 1uph h LYS 32 N 0.00 0.46 -0.18 1.13 3.11 -1.98 0.31 116.57 119.41 1uph h LYS 32 Ca 0.00 -0.20 -0.16 0.00 -2.81 0.00 0.00 60.65 57.49 1uph h LYS 32 Cb 0.26 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.47 1uph h LYS 32 CO 0.00 0.73 -0.53 0.45 -2.81 0.00 0.00 179.45 177.29 1uph h HIS 33 N 0.17 0.66 -0.35 1.91 3.86 -1.23 -0.87 115.15 119.31 1uph h HIS 33 Ca 0.05 -0.23 -0.06 0.00 -1.16 0.00 0.00 60.37 58.97 1uph h HIS 33 Cb 0.58 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 1uph h HIS 33 CO 0.06 0.95 -0.02 0.82 0.86 0.00 0.00 177.93 180.60 1uph h ILE 34 N 0.41 1.27 -0.74 2.45 2.04 -1.13 0.21 117.51 122.03 1uph h ILE 34 Ca 0.01 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 64.79 1uph h ILE 34 Cb 1.07 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 1uph h ILE 34 CO 0.10 0.34 0.25 0.58 0.00 0.00 0.00 178.15 179.42 1uph h VAL 35 N 0.43 1.26 -0.07 1.67 2.07 -0.29 0.30 116.25 121.62 1uph h VAL 35 Ca 0.10 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1uph h VAL 35 Cb 0.49 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1uph h VAL 35 CO 0.02 0.35 0.03 -0.25 0.02 0.00 0.00 177.57 177.74 1uph h TRP 36 N 1.09 0.12 -0.79 1.57 7.01 -0.91 0.34 115.95 124.37 1uph h TRP 36 Ca 0.24 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.26 1uph h TRP 36 Cb 0.28 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.26 1uph h TRP 36 CO 0.02 0.26 0.52 0.00 -2.79 0.00 0.00 178.44 176.45 1uph h ALA 37 N 0.84 1.52 -0.67 2.65 0.00 -0.23 -0.73 119.26 122.64 1uph h ALA 37 Ca 0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1uph h ALA 37 Cb 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1uph h ALA 37 CO -0.00 0.41 0.21 0.66 0.00 0.00 0.00 179.25 180.52 1uph h SER 38 N 0.98 0.98 -0.56 0.00 4.64 0.14 0.33 113.55 120.06 1uph h SER 38 Ca 0.31 -0.21 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 1uph h SER 38 Cb 0.02 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 61.83 1uph h SER 38 CO -0.09 0.93 0.24 0.03 -0.87 0.00 0.00 176.83 177.08 1uph h ARG 39 N 0.98 0.82 -0.02 4.77 3.08 0.34 0.19 114.38 124.54 1uph h ARG 39 Ca 0.22 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1uph h ARG 39 Cb 0.30 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 1uph h ARG 39 CO -0.01 0.69 0.01 1.49 -1.07 0.00 0.00 179.97 181.08 1uph h GLU 40 N 0.76 0.03 -0.47 0.04 4.57 -0.87 0.39 114.58 119.03 1uph h GLU 40 Ca 0.19 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.40 1uph h GLU 40 Cb 0.16 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 1uph h GLU 40 CO -0.02 0.22 0.25 -0.07 -1.18 0.00 0.00 179.01 178.21 1uph h LEU 41 N -0.17 0.38 -1.38 1.64 4.07 -0.78 0.48 115.31 119.55 1uph h LEU 41 Ca 0.01 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1uph h LEU 41 Cb 0.21 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 41.86 1uph h LEU 41 CO -0.00 0.27 0.36 -0.08 -1.08 0.00 0.00 178.44 177.91 1uph h GLU 42 N 0.50 0.78 0.00 1.13 4.81 -0.46 0.46 114.58 121.79 1uph h GLU 42 Ca 0.20 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1uph h GLU 42 Cb 0.08 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1uph h GLU 42 CO -0.12 0.53 0.00 0.00 -0.73 0.00 0.00 179.01 178.69 1uph h ARG 43 N 0.79 0.00 -0.00 1.92 3.08 0.45 -2.97 114.38 117.66 1uph h ARG 43 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1uph h ARG 43 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1uph h ARG 43 CO -0.04 0.00 -0.21 1.19 -1.07 0.00 0.00 179.97 179.84 1uph n PHE 44 N -3.01 0.00 -1.76 3.04 3.01 0.16 -4.91 117.46 113.99 1uph n PHE 44 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1uph n PHE 44 Cb 0.49 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 1uph n PHE 44 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1uph n ALA 45 N -1.38 0.00 -2.49 4.37 0.00 -0.72 -5.06 120.51 115.23 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 -0.42 -0.13 0.00 0.00 0.00 0.00 19.45 19.23 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 -2.19 1.90 0.19 0.00 0.11 -0.11 -5.03 120.40 115.26 1uph s VAL 46 Ca 0.00 -1.63 -0.30 0.00 -2.93 0.00 0.00 61.98 57.12 1uph s VAL 46 Cb 0.00 -1.71 -0.08 0.00 -1.53 0.00 0.00 36.38 33.06 1uph s VAL 46 CO 0.00 -0.02 1.09 0.20 -3.33 0.00 0.00 175.10 173.04 1uph s ASN 47 N -1.98 7.29 -0.01 3.54 0.01 -1.26 -3.60 114.94 118.92 1uph s ASN 47 Ca 0.09 2.09 -0.22 0.00 -0.71 0.00 0.00 52.86 54.11 1uph s ASN 47 Cb -0.10 -2.61 -0.22 0.00 0.41 0.00 0.00 41.25 38.73 1uph s ASN 47 CO 0.05 -0.20 1.10 1.55 -1.51 0.00 0.00 177.10 178.10 1uph h PRO 48 N 4.99 0.30 -0.07 -0.60 0.13 -1.91 -3.16 132.00 131.67 1uph h PRO 48 Ca -0.44 -0.30 0.02 0.00 -0.87 0.00 0.00 66.00 64.41 1uph h PRO 48 Cb 1.21 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1uph h PRO 48 CO 0.72 0.98 0.10 0.78 -0.23 0.00 0.00 178.00 180.34 1uph h GLY 49 N -0.26 0.00 2.00 1.56 0.00 -1.96 0.24 103.07 104.66 1uph h GLY 49 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1uph h GLY 49 CO 0.08 0.00 0.00 1.47 0.00 0.00 0.00 176.54 178.09 1uph n LEU 50 N -3.69 0.46 -0.08 3.11 -0.00 -1.19 0.03 117.00 115.63 1uph n LEU 50 Ca -0.01 0.68 0.16 0.00 -0.00 0.00 0.00 56.01 56.84 1uph n LEU 50 Cb 0.19 -0.70 0.87 0.00 -0.00 0.00 0.00 43.42 43.78 1uph n LEU 50 CO 0.26 -0.74 1.06 0.18 -0.00 0.00 0.00 177.39 178.15 1uph n LEU 51 N -2.09 0.26 0.00 1.47 4.77 0.85 -3.14 117.00 119.12 1uph n LEU 51 Ca -0.00 -0.08 0.12 0.00 -0.03 0.00 0.00 56.01 56.02 1uph n LEU 51 Cb 0.08 -0.01 0.63 0.00 -2.33 0.00 0.00 43.42 41.79 1uph n LEU 51 CO 0.11 0.04 0.90 1.21 -1.33 0.00 0.00 177.39 178.33 1uph n GLU 52 N -0.81 0.40 -5.18 3.23 2.13 0.10 -4.63 120.64 115.89 1uph n GLU 52 Ca 0.23 0.05 -0.30 0.00 0.66 0.00 0.00 57.16 57.79 1uph n GLU 52 Cb 0.16 -1.50 -0.16 0.00 0.27 0.00 0.00 31.44 30.21 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 -2.50 1.92 0.50 6.31 -4.23 -1.19 -4.92 115.64 111.53 1uph s THR 53 Ca 0.25 -1.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.95 1uph s THR 53 Cb 0.16 -1.62 0.34 0.00 1.34 0.00 0.00 72.50 72.73 1uph s THR 53 CO 0.36 0.54 2.03 0.77 -0.54 0.00 0.00 174.62 177.78 1uph h SER 54 N 6.02 0.12 -0.15 3.99 4.64 -1.85 0.19 113.55 126.52 1uph h SER 54 Ca -0.33 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.89 1uph h SER 54 Cb 1.17 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1uph h SER 54 CO 0.47 0.08 -0.29 -0.08 -0.87 0.00 0.00 176.83 176.14 1uph h GLU 55 N 0.14 0.46 -0.42 4.77 4.57 -1.94 0.05 114.58 122.20 1uph h GLU 55 Ca 0.19 -0.30 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1uph h GLU 55 Cb 0.58 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 1uph h GLU 55 CO -0.02 0.90 0.22 0.78 -1.18 0.00 0.00 179.01 179.71 1uph h GLY 56 N 0.08 0.63 1.35 1.92 0.00 -1.32 0.30 103.07 106.03 1uph h GLY 56 Ca 0.01 -0.29 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 1uph h GLY 56 CO 0.06 0.28 -0.13 0.00 0.00 0.00 0.00 176.54 176.76 1uph h ARG 58 N 0.69 0.69 0.03 0.00 2.43 -0.39 -0.11 114.38 117.73 1uph h ARG 58 Ca 0.11 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1uph h ARG 58 Cb 0.61 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1uph h ARG 58 CO 0.04 0.76 -0.01 1.96 -1.51 0.00 0.00 179.97 181.20 1uph h GLN 59 N 0.64 -0.04 -0.59 0.20 4.20 0.08 -1.10 115.11 118.50 1uph h GLN 59 Ca 0.12 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.86 1uph h GLN 59 Cb 0.50 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.25 1uph h GLN 59 CO 0.03 0.30 0.36 0.82 -0.67 0.00 0.00 178.83 179.67 1uph h ILE 60 N -0.38 1.08 -0.24 2.54 2.04 -1.13 0.29 117.51 121.70 1uph h ILE 60 Ca -0.00 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.65 1uph h ILE 60 Cb 0.36 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1uph h ILE 60 CO 0.01 0.13 -0.02 0.25 0.00 0.00 0.00 178.15 178.52 1uph h LEU 61 N 0.72 -0.14 -1.68 1.44 6.46 -0.93 0.68 115.31 121.87 1uph h LEU 61 Ca 0.24 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 58.03 1uph h LEU 61 Cb 0.01 0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1uph h LEU 61 CO -0.09 -0.04 -0.14 1.23 -0.62 0.00 0.00 178.44 178.78 1uph h GLY 62 N 0.05 0.00 1.39 3.75 0.00 -0.53 0.35 103.07 108.08 1uph h GLY 62 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.26 1uph h GLY 62 CO -0.21 0.00 -0.64 -1.61 0.00 0.00 0.00 176.54 174.08 1uph h GLN 63 N 0.00 0.62 0.00 4.80 5.75 0.17 -3.05 115.11 123.40 1uph h GLN 63 Ca -0.00 -0.44 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 1uph h GLN 63 Cb 0.46 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.09 1uph h GLN 63 CO 0.02 1.06 -0.82 -0.07 -2.65 0.00 0.00 178.83 176.37 1uph h LEU 64 N 0.45 0.00 -1.00 -2.39 3.38 -0.50 -3.37 115.31 111.88 1uph h LEU 64 Ca -0.01 -0.15 0.18 0.00 0.09 0.00 0.00 57.88 57.98 1uph h LEU 64 Cb 1.22 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.80 1uph h LEU 64 CO 0.12 0.08 -0.32 1.56 0.09 0.00 0.00 178.44 179.97 1uph h GLN 65 N 0.00 -0.00 -0.03 1.13 1.08 -0.19 0.61 115.11 117.71 1uph h GLN 65 Ca 0.00 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 56.99 1uph h GLN 65 Cb 0.84 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.27 1uph h GLN 65 CO 0.00 -0.00 -0.86 -1.00 -0.95 0.00 0.00 178.83 176.02 1uph h PRO 66 N -0.00 0.40 0.00 1.46 0.13 -1.73 -2.99 132.00 129.27 1uph h PRO 66 Ca 0.41 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1uph h PRO 66 Cb 0.66 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1uph h PRO 66 CO -1.01 1.05 0.14 0.77 -0.23 0.00 0.00 178.00 178.72 1uph h SER 67 N 0.24 0.00 -0.13 1.44 0.02 -0.07 0.24 113.55 115.29 1uph h SER 67 Ca -0.06 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.68 1uph h SER 67 Cb 1.47 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.02 1uph h SER 67 CO 0.15 0.00 -0.75 -0.07 -1.14 0.00 0.00 176.83 175.02 1uph h LEU 68 N 0.00 0.92 -0.80 5.07 3.38 -0.69 0.47 115.31 123.65 1uph h LEU 68 Ca 0.00 -0.59 0.32 0.00 0.09 0.00 0.00 57.88 57.71 1uph h LEU 68 Cb 0.29 -0.27 -0.14 0.00 0.09 0.00 0.00 40.66 40.62 1uph h LEU 68 CO 0.00 1.38 0.38 1.67 0.09 0.00 0.00 178.44 181.97 1uph n GLN 69 N -3.94 -0.05 -2.77 1.13 -0.06 0.86 -1.43 117.38 111.12 1uph n GLN 69 Ca -0.07 1.12 -0.02 0.00 -2.00 0.00 0.00 57.00 56.03 1uph n GLN 69 Cb 0.73 -1.97 0.08 0.00 -4.06 0.00 0.00 30.24 25.01 1uph n GLN 69 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 1uph n THR 70 N -4.85 0.79 -2.23 1.69 5.66 -1.20 -5.12 114.28 109.02 1uph n THR 70 Ca 0.29 -2.26 -0.26 0.00 -3.05 0.00 0.00 64.05 58.77 1uph n THR 70 Cb 0.98 1.15 0.10 0.00 -1.55 0.00 0.00 70.33 71.01 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 -2.80 1.72 0.61 1.09 0.00 0.16 -5.06 107.32 103.05 1uph s GLY 71 Ca 0.21 -1.12 -0.03 0.00 0.00 0.00 0.00 44.72 43.78 1uph s GLY 71 CO -0.07 -0.63 0.88 -1.35 0.00 0.00 0.00 173.10 171.94 1uph s SER 72 N -4.62 5.16 0.20 1.64 1.04 -1.26 -4.87 113.70 111.00 1uph s SER 72 Ca 0.64 0.30 -0.10 0.00 0.48 0.00 0.00 55.95 57.26 1uph s SER 72 Cb -0.09 -1.13 0.18 0.00 0.10 0.00 0.00 66.02 65.09 1uph s SER 72 CO 0.46 -1.29 1.85 -0.33 0.98 0.00 0.00 173.24 174.90 1uph h GLU 73 N -0.22 0.82 -0.34 4.02 5.08 -1.98 0.29 114.58 122.24 1uph h GLU 73 Ca -0.44 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 57.81 1uph h GLU 73 Cb 1.30 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1uph h GLU 73 CO 0.57 0.54 -0.05 0.93 -1.00 0.00 0.00 179.01 180.00 1uph h GLU 74 N 0.84 0.64 -0.91 2.33 3.07 -1.99 -1.40 114.58 117.16 1uph h GLU 74 Ca 0.28 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1uph h GLU 74 Cb 0.01 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 27.84 1uph h GLU 74 CO -0.11 0.79 0.57 1.25 -1.40 0.00 0.00 179.01 180.12 1uph h LEU 75 N 0.43 1.06 -0.19 1.33 6.46 -1.80 -0.93 115.31 121.68 1uph h LEU 75 Ca 0.09 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1uph h LEU 75 Cb 0.53 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 1uph h LEU 75 CO 0.03 0.80 0.10 -0.09 -0.62 0.00 0.00 178.44 178.65 1uph h ARG 76 N 1.24 0.26 -0.98 1.25 2.43 -0.22 -0.99 114.38 117.37 1uph h ARG 76 Ca 0.33 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.53 1uph h ARG 76 Cb -0.10 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.34 1uph h ARG 76 CO -0.07 0.27 0.63 1.03 -1.51 0.00 0.00 179.97 180.32 1uph h SER 77 N 0.19 1.00 -0.25 -3.80 0.87 -0.76 -0.82 113.55 109.98 1uph h SER 77 Ca 0.07 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1uph h SER 77 Cb 0.08 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1uph h SER 77 CO -0.01 0.63 0.13 0.25 -0.53 0.00 0.00 176.83 177.30 1uph h LEU 78 N 1.13 0.32 -0.77 2.23 7.12 -0.72 -0.99 115.31 123.64 1uph h LEU 78 Ca 0.43 -0.10 0.07 0.00 0.13 0.00 0.00 57.88 58.42 1uph h LEU 78 Cb 0.19 -0.08 -0.06 0.00 -0.53 0.00 0.00 40.66 40.18 1uph h LEU 78 CO -0.18 0.32 0.44 0.22 -0.13 0.00 0.00 178.44 179.11 1uph h TYR 79 N 0.29 0.80 -0.66 1.25 3.20 -0.15 0.24 116.97 121.95 1uph h TYR 79 Ca 0.09 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1uph h TYR 79 Cb 0.08 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 1uph h TYR 79 CO -0.03 0.37 0.34 -0.91 -1.64 0.00 0.00 178.16 176.28 1uph h ASN 80 N 0.78 0.85 -0.70 -2.11 2.35 -0.79 -0.93 115.58 115.03 1uph h ASN 80 Ca 0.35 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1uph h ASN 80 Cb 0.25 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 1uph h ASN 80 CO -0.21 0.73 0.44 0.74 -1.65 0.00 0.00 177.43 177.48 1uph h THR 81 N 0.91 1.19 -0.54 2.81 2.02 0.10 -1.14 112.91 118.27 1uph h THR 81 Ca 0.23 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 1uph h THR 81 Cb 0.09 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 1uph h THR 81 CO -0.03 0.19 0.32 0.40 0.37 0.00 0.00 175.52 176.77 1uph h ILE 82 N 0.94 1.17 -0.63 3.11 1.08 -0.50 0.74 117.51 123.43 1uph h ILE 82 Ca 0.25 -0.39 0.06 0.00 -0.39 0.00 0.00 64.86 64.39 1uph h ILE 82 Cb -0.07 0.45 -0.05 0.00 -3.07 0.00 0.00 36.82 34.08 1uph h ILE 82 CO -0.05 0.17 0.34 0.00 -0.69 0.00 0.00 178.15 177.92 1uph h ALA 83 N 1.15 0.83 -0.22 1.87 0.00 -0.58 0.98 119.26 123.30 1uph h ALA 83 Ca 0.19 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1uph h ALA 83 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1uph h ALA 83 CO -0.03 0.01 -0.14 0.28 0.00 0.00 0.00 179.25 179.36 1uph h VAL 84 N 0.63 1.21 -0.22 0.00 2.07 -0.58 0.47 116.25 119.84 1uph h VAL 84 Ca 0.28 -0.94 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 1uph h VAL 84 Cb 0.18 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1uph h VAL 84 CO -0.18 0.30 -0.23 0.25 0.02 0.00 0.00 177.57 177.73 1uph h LEU 85 N 0.33 0.40 0.04 2.57 5.85 0.14 -1.05 115.31 123.58 1uph h LEU 85 Ca 0.06 -0.12 -0.24 0.00 0.84 0.00 0.00 57.88 58.42 1uph h LEU 85 Cb 0.45 -0.11 0.02 0.00 0.37 0.00 0.00 40.66 41.40 1uph h LEU 85 CO 0.03 0.63 -0.97 0.22 -0.34 0.00 0.00 178.44 178.01 1uph h TYR 86 N 0.36 0.91 -0.90 1.25 3.20 0.04 0.13 116.97 121.96 1uph h TYR 86 Ca 0.06 -0.52 0.01 0.00 3.14 0.00 0.00 58.73 61.42 1uph h TYR 86 Cb 0.60 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.73 1uph h TYR 86 CO 0.02 1.36 0.60 0.00 -1.64 0.00 0.00 178.16 178.49 1uph h VAL 88 N 1.21 1.46 -0.16 0.00 3.04 -1.21 1.56 116.25 122.15 1uph h VAL 88 Ca 0.33 -1.67 0.05 0.00 -1.01 0.00 0.00 66.70 64.40 1uph h VAL 88 Cb -0.13 2.42 -0.01 0.00 -2.01 0.00 0.00 31.29 31.57 1uph h VAL 88 CO -0.08 0.47 0.20 0.45 -1.01 0.00 0.00 177.57 177.60 1uph h HIS 89 N -0.33 0.00 0.00 3.17 -0.00 -0.30 0.39 115.15 118.09 1uph h HIS 89 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1uph h HIS 89 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.28 1uph h HIS 89 CO 0.14 0.00 -1.47 0.94 -0.00 0.00 0.00 177.93 177.54 1uph n GLN 90 N -3.69 0.40 -2.17 2.45 7.27 0.10 -4.74 117.38 117.01 1uph n GLN 90 Ca 0.01 -0.09 -0.03 0.00 0.07 0.00 0.00 57.00 56.96 1uph n GLN 90 Cb 0.32 -1.54 0.02 0.00 2.41 0.00 0.00 30.24 31.44 1uph n GLN 90 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1uph n ARG 91 N -2.00 -1.04 -3.78 3.69 0.63 0.14 -5.04 116.66 109.25 1uph n ARG 91 Ca -0.00 0.16 -0.36 0.00 -0.92 0.00 0.00 57.85 56.72 1uph n ARG 91 Cb 0.47 -2.95 -0.13 0.00 0.45 0.00 0.00 32.46 30.31 1uph n ARG 91 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1uph s ILE 92 N -3.07 4.21 0.13 5.15 1.01 0.49 -4.99 121.20 124.14 1uph s ILE 92 Ca 0.02 -0.21 -0.33 0.00 0.00 0.00 0.00 60.65 60.13 1uph s ILE 92 Cb -0.00 -2.96 -0.18 0.00 0.01 0.00 0.00 42.46 39.33 1uph s ILE 92 CO 0.13 0.35 0.83 0.47 0.00 0.00 0.00 174.94 176.72 1uph n ASP 93 N 4.88 -0.31 -4.09 3.58 9.92 -1.26 -4.57 116.55 124.70 1uph n ASP 93 Ca -0.16 1.14 -0.13 0.00 -0.53 0.00 0.00 54.79 55.11 1uph n ASP 93 Cb 0.51 -1.00 -0.10 0.00 -0.64 0.00 0.00 41.12 39.90 1uph n ASP 93 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1uph s VAL 94 N -0.54 0.02 0.00 2.53 -7.23 -1.26 -4.95 120.40 108.97 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 -1.02 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 33.41 1uph s VAL 94 CO 0.56 0.00 0.00 0.29 -0.31 0.00 0.00 175.10 175.64 1uph n LYS 95 N -0.33 0.00 -4.04 4.82 5.02 -1.26 -4.91 118.16 117.46 1uph n LYS 95 Ca 0.03 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.22 1uph n LYS 95 Cb 0.65 -0.10 -0.08 0.00 -0.02 0.00 0.00 35.03 35.48 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 -3.21 0.16 0.35 4.39 -4.77 -1.26 0.02 116.67 112.35 1uph s ASP 96 Ca 0.00 -1.02 0.02 0.00 -3.30 0.00 0.00 52.55 48.25 1uph s ASP 96 Cb 0.00 0.37 0.64 0.00 -1.09 0.00 0.00 42.92 42.84 1uph s ASP 96 CO 0.00 -0.82 2.01 0.00 0.70 0.00 0.00 175.17 177.06 1uph h THR 97 N 2.69 1.16 -0.28 2.11 1.03 -0.97 0.40 112.91 119.05 1uph h THR 97 Ca -0.33 -0.29 -0.13 0.00 -0.01 0.00 0.00 66.41 65.65 1uph h THR 97 Cb 1.21 0.23 -0.00 0.00 -1.07 0.00 0.00 68.15 68.52 1uph h THR 97 CO 0.53 0.16 -0.32 0.11 -0.01 0.00 0.00 175.52 175.99 1uph h LYS 98 N 0.86 0.71 -0.11 0.00 6.56 -1.86 -1.15 116.57 121.58 1uph h LYS 98 Ca 0.23 -0.39 -0.08 0.00 -1.06 0.00 0.00 60.65 59.35 1uph h LYS 98 Cb -0.10 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.57 1uph h LYS 98 CO -0.05 1.01 -0.31 1.49 -2.06 0.00 0.00 179.45 179.52 1uph h GLU 99 N 0.45 0.21 -0.08 3.15 4.57 -1.74 0.39 114.58 121.54 1uph h GLU 99 Ca 0.04 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1uph h GLU 99 Cb 0.89 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.47 1uph h GLU 99 CO 0.08 0.51 -0.05 0.00 -1.18 0.00 0.00 179.01 178.37 1uph h ALA 100 N 1.49 0.11 -0.08 2.92 0.00 -0.05 0.39 119.26 124.04 1uph h ALA 100 Ca 0.03 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1uph h ALA 100 Cb 0.65 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1uph h ALA 100 CO 0.05 -0.11 -0.42 1.25 0.00 0.00 0.00 179.25 180.02 1uph h LEU 101 N -0.22 0.18 -0.26 0.00 5.85 -1.02 -0.56 115.31 119.27 1uph h LEU 101 Ca 0.02 -0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.50 1uph h LEU 101 Cb 0.52 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 1uph h LEU 101 CO 0.01 0.58 -0.46 -0.78 -0.34 0.00 0.00 178.44 177.46 1uph h ASP 102 N 0.14 0.86 -0.19 1.25 1.82 -0.08 0.38 116.42 120.60 1uph h ASP 102 Ca 0.01 -0.53 -0.02 0.00 -0.39 0.00 0.00 57.03 56.11 1uph h ASP 102 Cb 0.81 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 1uph h ASP 102 CO 0.06 1.22 0.05 0.11 -1.61 0.00 0.00 179.24 179.08 1uph h LYS 103 N 0.52 0.30 -0.29 0.28 1.79 0.05 0.99 116.57 120.23 1uph h LYS 103 Ca 0.02 -0.07 -0.09 0.00 -2.18 0.00 0.00 60.65 58.32 1uph h LYS 103 Cb 1.06 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.65 1uph h LYS 103 CO 0.10 0.42 -0.22 0.97 -1.08 0.00 0.00 179.45 179.65 1uph h ILE 104 N 0.13 1.26 -0.73 1.86 6.09 -1.08 -1.13 117.51 123.91 1uph h ILE 104 Ca 0.06 -1.23 -0.07 0.00 -1.37 0.00 0.00 64.86 62.26 1uph h ILE 104 Cb 0.25 1.28 -0.03 0.00 0.47 0.00 0.00 36.82 38.79 1uph h ILE 104 CO -0.00 0.40 0.20 -0.08 -3.07 0.00 0.00 178.15 175.59 1uph h GLU 105 N 0.48 1.15 0.21 2.19 4.81 0.14 0.17 114.58 123.73 1uph h GLU 105 Ca 0.07 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1uph h GLU 105 Cb 0.64 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1uph h GLU 105 CO 0.05 1.00 -0.10 0.93 -0.73 0.00 0.00 179.01 180.15 1uph h GLU 106 N 1.09 -0.28 -0.04 1.92 4.39 -0.46 -0.40 114.58 120.81 1uph h GLU 106 Ca 0.23 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.98 1uph h GLU 106 Cb 0.35 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 1uph h GLU 106 CO -0.00 0.08 -0.14 1.49 -1.16 0.00 0.00 179.01 179.27 1uph h GLU 107 N -0.68 -0.21 -0.17 2.33 4.81 -1.16 0.92 114.58 120.42 1uph h GLU 107 Ca -0.03 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1uph h GLU 107 Cb 0.48 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 1uph h GLU 107 CO 0.05 -0.14 -0.10 0.37 -0.73 0.00 0.00 179.01 178.46 1uph h GLN 108 N -0.21 -0.09 -0.44 1.92 4.15 -0.71 0.31 115.11 120.03 1uph h GLN 108 Ca 0.06 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.57 1uph h GLN 108 Cb 0.30 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.94 1uph h GLN 108 CO -0.17 -0.06 0.01 -0.97 -1.93 0.00 0.00 178.83 175.71 1uph h ASN 109 N -0.10 -0.17 -0.73 -0.69 -1.24 -0.62 0.23 115.58 112.26 1uph h ASN 109 Ca 0.10 0.10 0.03 0.00 0.71 0.00 0.00 56.30 57.24 1uph h ASN 109 Cb 0.25 0.18 -0.04 0.00 0.73 0.00 0.00 38.32 39.43 1uph h ASN 109 CO -0.24 -0.05 0.46 0.11 -1.29 0.00 0.00 177.43 176.43 1uph h LYS 110 N 0.12 0.89 0.41 6.67 1.79 0.04 -0.21 116.57 126.28 1uph h LYS 110 Ca 0.22 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 1uph h LYS 110 Cb 0.31 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1uph h LYS 110 CO -0.36 0.59 -0.33 0.77 -1.08 0.00 0.00 179.45 179.04 1uph h SER 111 N 0.91 -0.86 -0.30 0.86 0.02 0.16 0.17 113.55 114.51 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 -0.01 0.28 -0.07 0.00 0.14 0.00 0.00 62.40 62.73 1uph h SER 111 CO -0.10 -0.48 -0.21 0.11 -1.14 0.00 0.00 176.83 175.01 1uph h LYS 112 N -0.74 -0.18 -0.33 3.45 1.57 -0.31 0.15 116.57 120.18 1uph h LYS 112 Ca -0.04 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1uph h LYS 112 Cb 0.64 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.91 1uph h LYS 112 CO -0.01 -0.12 -0.20 -0.22 -0.57 0.00 0.00 179.45 178.33 1uph h LYS 113 N -0.19 -0.15 -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 0.43 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.21 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 -0.16 -0.23 -0.31 1.90 1.63 0.72 0.20 116.57 120.33 1uph h LYS 114 Ca 0.17 0.02 0.07 0.00 -0.85 0.00 0.00 60.65 60.06 1uph h LYS 114 Cb 0.42 0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 32.03 1uph h LYS 114 CO -0.43 -0.15 -0.21 0.00 -3.45 0.00 0.00 179.45 175.21 1uph h ALA 115 N 0.81 -0.01 -0.30 5.00 0.00 0.59 0.44 119.26 125.79 1uph h ALA 115 Ca 0.14 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.22 1uph h ALA 115 Cb 0.45 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 -0.15 0.37 0.00 0.00 0.00 179.25 178.49 1uph h GLN 116 N -0.18 -0.10 -0.35 0.00 4.15 0.55 0.17 115.11 119.36 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 -0.07 -0.14 0.37 -1.93 0.00 0.00 178.83 176.65 1uph h GLN 117 N -0.10 -0.07 0.51 1.69 5.75 0.55 0.14 115.11 123.58 1uph h GLN 117 Ca 0.16 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 1uph h GLN 117 Cb 0.34 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1uph h GLN 117 CO -0.37 -0.04 -0.44 0.00 -2.65 0.00 0.00 178.83 175.33 1uph h ALA 118 N 1.23 -1.00 -0.44 3.38 0.00 0.01 -1.32 119.26 121.12 1uph h ALA 118 Ca 0.17 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1uph h ALA 118 Cb 0.33 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1uph h ALA 118 CO -0.40 -1.10 -0.45 0.00 0.00 0.00 0.00 179.25 177.31 1uph h ALA 119 N -0.67 -0.63 -0.92 0.00 0.00 -0.13 -0.31 119.26 116.60 1uph h ALA 119 Ca -0.06 0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1uph h ALA 119 Cb 0.80 1.11 -0.11 0.00 0.00 0.00 0.00 17.79 19.59 1uph h ALA 119 CO -0.02 -0.87 -0.57 0.00 0.00 0.00 0.00 179.25 177.79 1uph h ALA 120 N -0.19 -0.55 -0.89 0.00 0.00 -0.55 0.75 119.26 117.83 1uph h ALA 120 Ca 0.07 0.11 0.18 0.00 0.00 0.00 0.00 54.91 55.27 1uph h ALA 120 Cb 0.44 1.35 -0.17 0.00 0.00 0.00 0.00 17.79 19.41 1uph h ALA 120 CO -0.54 -0.95 -0.20 0.22 0.00 0.00 0.00 179.25 177.78 1uph h ASP 121 N -0.03 -0.79 -4.33 0.00 3.58 0.07 -3.47 116.42 111.45 1uph h ASP 121 Ca 0.15 0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.86 1uph h ASP 121 Cb 0.41 0.54 0.00 0.00 1.72 0.00 0.00 39.33 42.00 1uph h ASP 121 CO -0.88 -0.29 -0.79 0.41 -2.88 0.00 0.00 179.24 174.81 1uph n THR 122 N -5.56-11.30 0.00 2.25 -1.04 0.26 -5.04 114.28 93.85 1uph n THR 122 Ca 0.14 2.62 0.00 0.00 -2.04 0.00 0.00 64.05 64.77 1uph n THR 122 Cb 0.47 -5.36 0.00 0.00 -1.82 0.00 0.00 70.33 63.61 1uph n THR 122 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uph n GLY 123 N 1.49 -2.45 3.36 3.41 0.00 -1.26 -5.09 105.19 104.65 1uph n GLY 123 Ca 0.00 0.83 -0.31 0.00 0.00 0.00 0.00 46.02 46.54 1uph n GLY 123 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1uph n ASN 124 N -0.30 -2.07 0.11 1.61 6.94 -1.26 -4.96 115.26 115.34 1uph n ASN 124 Ca 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 54.58 54.51 1uph n ASN 124 Cb 0.00 -1.09 0.00 0.00 -2.36 0.00 0.00 39.78 36.33 1uph n ASN 124 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1uph n ASN 125 N -2.57 -1.51 -2.80 0.53 4.13 -1.26 -5.09 115.26 106.69 1uph n ASN 125 Ca 0.03 0.42 -0.03 0.00 1.68 0.00 0.00 54.58 56.68 1uph n ASN 125 Cb 0.59 1.59 -0.02 0.00 -1.54 0.00 0.00 39.78 40.39 1uph n ASN 125 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1uph n SER 126 N -3.04 -4.27 -3.50 6.41 2.88 -1.26 -5.06 113.62 105.78 1uph n SER 126 Ca 0.00 1.19 0.01 0.00 -1.33 0.00 0.00 58.87 58.74 1uph n SER 126 Cb 0.00 -4.08 -0.05 0.00 -0.75 0.00 0.00 64.21 59.33 1uph n SER 126 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1uph s GLN 127 N -0.77 0.15 0.31 -1.46 2.00 -1.26 -5.14 119.66 113.49 1uph s GLN 127 Ca -0.13 0.31 -0.29 0.00 -2.00 0.00 0.00 55.36 53.24 1uph s GLN 127 Cb 0.01 0.10 -0.11 0.00 0.80 0.00 0.00 33.01 33.81 1uph s GLN 127 CO 0.54 -0.04 1.46 0.54 -0.50 0.00 0.00 175.29 177.29 1uph s VAL 128 N 1.55 2.38 -0.07 1.34 0.11 -1.26 -4.97 120.40 119.48 1uph s VAL 128 Ca -0.05 0.35 -0.32 0.00 -2.93 0.00 0.00 61.98 59.02 1uph s VAL 128 Cb -0.03 -3.22 0.14 0.00 -1.53 0.00 0.00 36.38 31.74 1uph s VAL 128 CO -0.14 0.07 1.39 -0.44 -3.33 0.00 0.00 175.10 172.66 1uph s SER 129 N 0.09 -0.02 0.44 3.54 0.01 -1.26 -5.18 113.70 111.32 1uph s SER 129 Ca 0.56 -0.05 0.07 0.00 1.31 0.00 0.00 55.95 57.85 1uph s SER 129 Cb -0.44 0.05 -0.01 0.00 0.21 0.00 0.00 66.02 65.83 1uph s SER 129 CO 0.51 -0.10 0.38 0.00 0.41 0.00 0.00 173.24 174.45 1uph s GLN 130 N -2.14 2.47 0.06 12.44 -2.07 -1.26 -5.04 119.66 124.13 1uph s GLN 130 Ca 0.15 -1.62 -0.37 0.00 -1.82 0.00 0.00 55.36 51.70 1uph s GLN 130 Cb 0.07 -2.33 -0.18 0.00 -1.09 0.00 0.00 33.01 29.48 1uph s GLN 130 CO -0.06 -0.27 1.15 0.27 -1.32 0.00 0.00 175.29 175.06 1uph n ASN 131 N -1.58 0.66 0.00 12.60 6.94 -1.26 -5.28 115.26 127.34 1uph n ASN 131 Ca 0.03 1.14 0.00 0.00 -0.02 0.00 0.00 54.58 55.73 1uph n ASN 131 Cb 0.62 -1.05 0.00 0.00 -2.36 0.00 0.00 39.78 36.99 1uph n ASN 131 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23