#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 0.00 -2.57 4.61 0.00 -1.26 -5.14 120.51 116.15 1uph n ALA 3 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1uph n ALA 3 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1uph n ALA 3 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1uph s ARG 4 N -1.04 1.13 0.56 0.00 1.70 -1.26 -5.15 118.95 114.89 1uph s ARG 4 Ca 0.00 -0.91 -0.09 0.00 -0.47 0.00 0.00 55.73 54.26 1uph s ARG 4 Cb 0.00 -1.22 0.13 0.00 -0.57 0.00 0.00 34.95 33.29 1uph s ARG 4 CO 0.00 0.30 0.77 0.00 -1.08 0.00 0.00 175.30 175.29 1uph n ALA 5 N 1.71 -0.87 0.00 7.88 0.00 -1.26 -4.95 120.51 123.01 1uph n ALA 5 Ca -0.18 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.25 1uph n ALA 5 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1uph n ALA 5 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1uph n SER 6 N -3.49 0.00 0.07 0.00 7.64 -1.26 -5.01 113.62 111.56 1uph n SER 6 Ca 0.10 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.94 1uph n SER 6 Cb 0.33 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.52 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 0.00 -3.36 0.44 2.07 -1.89 -3.43 116.25 110.08 1uph h VAL 7 Ca 0.00 -0.43 -0.61 0.00 0.82 0.00 0.00 66.70 66.48 1uph h VAL 7 Cb 0.00 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.62 1uph h VAL 7 CO 0.00 0.00 -0.54 -0.76 0.02 0.00 0.00 177.57 176.29 1uph s LEU 8 N -6.92 3.95 0.00 2.57 1.43 -1.26 -4.64 118.68 113.80 1uph s LEU 8 Ca -0.03 0.11 -0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1uph s LEU 8 Cb 0.00 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.21 1uph s LEU 8 CO 0.10 0.14 0.01 -1.20 0.23 0.00 0.00 176.35 175.63 1uph n SER 9 N 3.75 -0.16 0.28 2.29 7.64 -1.26 -4.58 113.62 121.58 1uph n SER 9 Ca -0.16 -0.93 -0.16 0.00 1.01 0.00 0.00 58.87 58.63 1uph n SER 9 Cb 0.52 -0.01 -0.08 0.00 -1.01 0.00 0.00 64.21 63.63 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 -0.10 -0.69 0.75 0.23 0.00 -1.98 0.58 103.07 101.86 1uph h GLY 10 Ca -0.00 0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.50 1uph h GLY 10 CO 0.00 -0.25 -0.22 -1.33 0.00 0.00 0.00 176.54 174.74 1uph h GLY 11 N -0.70 0.42 1.90 4.60 0.00 -1.99 -1.07 103.07 106.23 1uph h GLY 11 Ca -0.07 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 1uph h GLY 11 CO 0.11 0.43 0.05 0.83 0.00 0.00 0.00 176.54 177.96 1uph h GLU 12 N -0.01 0.14 -0.02 4.80 5.08 -1.91 0.17 114.58 122.82 1uph h GLU 12 Ca 0.01 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1uph h GLU 12 Cb 0.79 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.02 1uph h GLU 12 CO 0.05 0.11 -0.45 1.25 -1.00 0.00 0.00 179.01 178.97 1uph h LEU 13 N 0.14 0.43 -0.94 1.33 5.85 0.29 0.40 115.31 122.81 1uph h LEU 13 Ca 0.04 -0.74 0.01 0.00 0.84 0.00 0.00 57.88 58.03 1uph h LEU 13 Cb 0.02 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 1uph h LEU 13 CO -0.01 1.11 0.62 0.44 -0.34 0.00 0.00 178.44 180.27 1uph h ASP 14 N -0.20 1.08 0.20 1.25 3.32 -0.45 0.13 116.42 121.75 1uph h ASP 14 Ca -0.05 -0.03 -0.24 0.00 0.02 0.00 0.00 57.03 56.74 1uph h ASP 14 Cb 1.16 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 40.45 1uph h ASP 14 CO 0.09 0.78 -0.95 0.11 -1.72 0.00 0.00 179.24 177.55 1uph h LYS 15 N 1.27 0.52 -0.66 3.56 1.57 -0.71 -3.03 116.57 119.09 1uph h LYS 15 Ca 0.35 -0.54 0.08 0.00 -1.87 0.00 0.00 60.65 58.67 1uph h LYS 15 Cb -0.14 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1uph h LYS 15 CO -0.08 1.17 0.44 2.35 -0.57 0.00 0.00 179.45 182.76 1uph h TRP 16 N 0.30 0.61 -0.33 -1.35 2.91 0.57 0.11 115.95 118.77 1uph h TRP 16 Ca -0.09 0.02 -0.21 0.00 1.13 0.00 0.00 58.89 59.74 1uph h TRP 16 Cb 1.59 -0.20 -0.10 0.00 -0.51 0.00 0.00 29.16 29.94 1uph h TRP 16 CO 0.07 0.31 0.26 -1.91 -1.03 0.00 0.00 178.44 176.14 1uph n GLU 17 N -4.48 1.51 0.00 2.65 2.13 -0.04 -3.33 120.64 119.08 1uph n GLU 17 Ca 0.10 -1.05 0.01 0.00 0.66 0.00 0.00 57.16 56.88 1uph n GLU 17 Cb 0.29 -1.41 -0.02 0.00 0.27 0.00 0.00 31.44 30.58 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 0.45 5.70 -3.02 5.31 4.81 0.37 -4.63 118.16 127.15 1uph n LYS 18 Ca 0.20 -0.03 -0.41 0.00 -0.87 0.00 0.00 58.31 57.20 1uph n LYS 18 Cb 0.67 -0.66 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 1uph n LYS 18 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1uph s ILE 19 N -1.23 4.95 0.08 3.15 1.09 -1.21 -4.67 121.20 123.36 1uph s ILE 19 Ca 0.01 1.36 -0.19 0.00 -1.10 0.00 0.00 60.65 60.73 1uph s ILE 19 Cb 0.02 -4.02 -0.07 0.00 -1.06 0.00 0.00 42.46 37.33 1uph s ILE 19 CO 0.12 0.04 0.57 -0.13 -0.10 0.00 0.00 174.94 175.44 1uph s ARG 20 N 2.25 4.19 0.20 2.79 0.52 0.65 -0.77 118.95 128.78 1uph s ARG 20 Ca 0.32 0.73 0.01 0.00 -0.52 0.00 0.00 55.73 56.27 1uph s ARG 20 Cb -0.16 -3.21 0.13 0.00 0.52 0.00 0.00 34.95 32.23 1uph s ARG 20 CO 0.10 0.62 1.48 -0.07 0.02 0.00 0.00 175.30 177.45 1uph h LEU 21 N 4.44 0.39 -9.63 2.53 3.38 -1.41 -0.81 115.31 114.20 1uph h LEU 21 Ca -0.49 -0.25 -0.62 0.00 0.09 0.00 0.00 57.88 56.61 1uph h LEU 21 Cb 1.21 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.76 1uph h LEU 21 CO 0.64 0.96 -0.61 -0.13 0.09 0.00 0.00 178.44 179.39 1uph s ARG 22 N -3.66 2.77 0.04 1.13 1.81 -1.26 -4.69 118.95 115.09 1uph s ARG 22 Ca -0.05 -0.82 -0.17 0.00 -1.72 0.00 0.00 55.73 52.97 1uph s ARG 22 Cb 0.11 -2.63 -0.21 0.00 -0.45 0.00 0.00 34.95 31.77 1uph s ARG 22 CO 0.82 0.52 1.17 -1.00 -0.68 0.00 0.00 175.30 176.14 1uph h PRO 23 N 2.98 0.55 0.00 3.54 0.13 -1.98 -3.19 132.00 134.02 1uph h PRO 23 Ca -0.47 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.12 1uph h PRO 23 Cb 1.18 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1uph h PRO 23 CO 0.63 1.16 0.00 0.78 -0.23 0.00 0.00 178.00 180.34 1uph h GLY 24 N 0.14 0.00 0.00 1.56 0.00 -1.99 -3.49 103.07 99.28 1uph h GLY 24 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1uph h GLY 24 CO 0.14 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.29 1uph n GLY 25 N 0.94 2.81 0.00 4.60 0.00 -1.21 -5.11 105.19 107.23 1uph n GLY 25 Ca 0.04 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1uph n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1uph n LYS 26 N -1.17 0.00 -3.81 1.61 4.81 -1.26 -4.59 118.16 113.74 1uph n LYS 26 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 1uph n LYS 26 Cb 0.00 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.06 1uph n LYS 26 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1uph s LYS 27 N 0.00 0.96 0.27 1.64 2.20 -1.26 -5.06 119.74 118.49 1uph s LYS 27 Ca 0.00 -0.58 0.02 0.00 -0.36 0.00 0.00 55.97 55.05 1uph s LYS 27 Cb 0.00 0.29 -0.05 0.00 -1.51 0.00 0.00 37.83 36.56 1uph s LYS 27 CO 0.00 -0.44 0.10 1.14 -0.36 0.00 0.00 175.35 175.78 1uph s GLN 28 N -2.47 1.47 0.48 4.03 0.00 -1.26 -1.01 119.66 120.91 1uph s GLN 28 Ca 0.19 -1.80 -0.23 0.00 -0.00 0.00 0.00 55.36 53.52 1uph s GLN 28 Cb -0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 33.01 32.57 1uph s GLN 28 CO 0.02 -0.29 1.16 0.66 0.00 0.00 0.00 175.29 176.83 1uph n TYR 29 N -0.51 1.66 -4.11 9.60 4.02 0.05 -4.90 117.16 122.96 1uph n TYR 29 Ca -0.00 0.49 -0.16 0.00 -0.01 0.00 0.00 57.90 58.22 1uph n TYR 29 Cb 0.66 -2.29 -0.04 0.00 -0.02 0.00 0.00 39.34 37.65 1uph n TYR 29 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1uph s LYS 30 N -2.39 1.93 0.65 -0.72 2.20 -1.26 -3.95 119.74 116.21 1uph s LYS 30 Ca 0.66 -1.82 0.38 0.00 -0.36 0.00 0.00 55.97 54.84 1uph s LYS 30 Cb -0.48 0.43 2.09 0.00 -1.51 0.00 0.00 37.83 38.36 1uph s LYS 30 CO 0.54 -0.79 2.18 1.25 -0.36 0.00 0.00 175.35 178.16 1uph h LEU 31 N 2.09 0.00 -0.21 5.43 7.12 -1.96 0.83 115.31 128.61 1uph h LEU 31 Ca -0.28 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.68 1uph h LEU 31 Cb 1.24 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.36 1uph h LEU 31 CO 0.38 0.00 -0.08 0.11 -0.13 0.00 0.00 178.44 178.72 1uph h LYS 32 N 0.00 0.42 -0.17 1.25 1.57 -1.98 0.36 116.57 118.03 1uph h LYS 32 Ca 0.00 -0.18 -0.16 0.00 -1.87 0.00 0.00 60.65 58.44 1uph h LYS 32 Cb 0.25 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1uph h LYS 32 CO 0.00 0.70 -0.55 0.45 -0.57 0.00 0.00 179.45 179.47 1uph h HIS 33 N 0.13 0.65 -0.46 -1.35 3.86 -1.28 -0.97 115.15 115.73 1uph h HIS 33 Ca 0.05 -0.23 -0.10 0.00 -1.16 0.00 0.00 60.37 58.93 1uph h HIS 33 Cb 0.56 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 1uph h HIS 33 CO 0.06 0.95 -0.09 0.82 0.86 0.00 0.00 177.93 180.53 1uph h ILE 34 N 0.40 1.27 -0.59 2.45 2.04 -1.12 0.19 117.51 122.15 1uph h ILE 34 Ca 0.01 -1.20 -0.08 0.00 1.00 0.00 0.00 64.86 64.59 1uph h ILE 34 Cb 1.09 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 1uph h ILE 34 CO 0.10 0.41 0.07 0.58 0.00 0.00 0.00 178.15 179.31 1uph h VAL 35 N 0.72 1.26 -0.06 1.67 2.07 -0.15 0.40 116.25 122.17 1uph h VAL 35 Ca 0.12 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 1uph h VAL 35 Cb 0.63 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1uph h VAL 35 CO 0.04 0.38 0.02 -0.25 0.02 0.00 0.00 177.57 177.78 1uph h TRP 36 N 0.89 0.10 -0.93 1.57 7.01 -0.95 0.18 115.95 123.82 1uph h TRP 36 Ca 0.18 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.19 1uph h TRP 36 Cb 0.46 -0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 27.44 1uph h TRP 36 CO 0.03 0.25 0.61 0.00 -2.79 0.00 0.00 178.44 176.54 1uph h ALA 37 N 0.84 1.21 -0.73 2.65 0.00 -0.38 -0.76 119.26 122.09 1uph h ALA 37 Ca 0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1uph h ALA 37 Cb 0.19 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1uph h ALA 37 CO -0.00 0.53 0.28 1.03 0.00 0.00 0.00 179.25 181.09 1uph h SER 38 N 1.22 1.01 -0.58 0.00 0.87 0.21 0.89 113.55 117.18 1uph h SER 38 Ca 0.36 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 1uph h SER 38 Cb -0.07 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.60 1uph h SER 38 CO -0.10 0.90 0.25 0.03 -0.53 0.00 0.00 176.83 177.39 1uph h ARG 39 N 1.06 0.85 -0.14 2.24 2.47 0.52 -0.97 114.38 120.43 1uph h ARG 39 Ca 0.24 -0.14 -0.12 0.00 -1.26 0.00 0.00 59.98 58.70 1uph h ARG 39 Cb 0.22 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 1uph h ARG 39 CO -0.02 0.72 -0.42 1.49 0.56 0.00 0.00 179.97 182.30 1uph h GLU 40 N 0.79 0.31 0.11 0.04 4.22 -0.76 0.09 114.58 119.39 1uph h GLU 40 Ca 0.20 -0.16 -0.01 0.00 0.08 0.00 0.00 59.36 59.47 1uph h GLU 40 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1uph h GLU 40 CO -0.02 0.69 -0.05 -0.07 -2.18 0.00 0.00 179.01 177.37 1uph h LEU 41 N 0.26 -0.13 -1.11 1.64 -0.00 -0.31 0.21 115.31 115.88 1uph h LEU 41 Ca 0.02 -0.12 -0.08 0.00 -0.00 0.00 0.00 57.88 57.70 1uph h LEU 41 Cb 0.86 0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.53 1uph h LEU 41 CO 0.07 0.05 -0.25 -0.08 -0.00 0.00 0.00 178.44 178.23 1uph h GLU 42 N -0.29 0.32 0.00 1.13 4.22 -1.10 -0.47 114.58 118.38 1uph h GLU 42 Ca -0.02 -0.11 -0.10 0.00 0.08 0.00 0.00 59.36 59.22 1uph h GLU 42 Cb 0.24 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1uph h GLU 42 CO 0.02 0.55 -0.46 0.00 -2.18 0.00 0.00 179.01 176.95 1uph h ARG 43 N 0.29 0.00 -0.27 1.92 3.08 -0.64 -2.11 114.38 116.65 1uph h ARG 43 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1uph h ARG 43 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1uph h ARG 43 CO 0.04 0.46 0.00 1.19 -1.07 0.00 0.00 179.97 180.59 1uph n PHE 44 N -3.96 0.33 -3.45 3.04 3.01 0.70 -4.88 117.46 112.25 1uph n PHE 44 Ca -0.02 -0.16 -0.19 0.00 1.01 0.00 0.00 57.45 58.10 1uph n PHE 44 Cb 0.49 -0.01 0.09 0.00 -0.01 0.00 0.00 39.48 40.03 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 0.19 -1.80 -2.53 4.37 0.00 -0.79 -5.01 120.51 114.93 1uph n ALA 45 Ca 0.08 0.06 -0.24 0.00 0.00 0.00 0.00 53.44 53.34 1uph n ALA 45 Cb 0.22 -3.21 -0.12 0.00 0.00 0.00 0.00 19.45 16.33 1uph n ALA 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1uph s VAL 46 N -3.34 1.73 -0.04 0.00 1.01 -0.24 -5.03 120.40 114.49 1uph s VAL 46 Ca 0.16 -1.55 -0.30 0.00 0.00 0.00 0.00 61.98 60.28 1uph s VAL 46 Cb -0.07 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1uph s VAL 46 CO 0.72 -0.06 1.07 0.21 0.00 0.00 0.00 175.10 177.04 1uph s ASN 47 N -1.92 7.21 0.11 3.32 2.47 -1.26 -3.94 114.94 120.94 1uph s ASN 47 Ca 0.07 1.70 -0.09 0.00 0.42 0.00 0.00 52.86 54.96 1uph s ASN 47 Cb -0.10 -2.56 -0.13 0.00 -1.45 0.00 0.00 41.25 37.01 1uph s ASN 47 CO 0.04 -0.43 1.29 1.55 -3.72 0.00 0.00 177.10 175.83 1uph h PRO 48 N 7.05 0.59 -0.64 0.43 0.13 -1.93 -3.11 132.00 134.53 1uph h PRO 48 Ca -0.36 -0.58 -0.04 0.00 -0.87 0.00 0.00 66.00 64.15 1uph h PRO 48 Cb 1.18 0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.43 1uph h PRO 48 CO 0.82 1.19 0.23 0.78 -0.23 0.00 0.00 178.00 180.80 1uph h GLY 49 N 0.82 1.01 2.00 1.56 0.00 -1.95 -0.19 103.07 106.33 1uph h GLY 49 Ca -0.08 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1uph h GLY 49 CO 0.17 0.51 0.00 1.47 0.00 0.00 0.00 176.54 178.69 1uph n LEU 50 N -4.30 0.27 -0.13 3.11 -0.00 -1.22 -1.37 117.00 113.37 1uph n LEU 50 Ca 0.05 0.56 0.14 0.00 -0.00 0.00 0.00 56.01 56.76 1uph n LEU 50 Cb 0.19 -0.51 0.57 0.00 -0.00 0.00 0.00 43.42 43.67 1uph n LEU 50 CO 0.40 -0.32 0.84 -0.11 -0.00 0.00 0.00 177.39 178.19 1uph n LEU 51 N -1.79 0.55 0.00 1.47 7.94 -0.09 -3.32 117.00 121.76 1uph n LEU 51 Ca 0.04 -0.03 0.12 0.00 -1.11 0.00 0.00 56.01 55.03 1uph n LEU 51 Cb 0.22 -0.18 0.64 0.00 0.53 0.00 0.00 43.42 44.64 1uph n LEU 51 CO 0.18 0.10 0.91 -1.84 -1.11 0.00 0.00 177.39 175.64 1uph n GLU 52 N -0.92 0.42 -4.18 1.96 0.28 -0.47 -4.32 120.64 113.42 1uph n GLU 52 Ca 0.14 0.04 -0.36 0.00 -0.16 0.00 0.00 57.16 56.83 1uph n GLU 52 Cb 0.29 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.58 1uph n GLU 52 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1uph s THR 53 N -2.48 4.77 0.50 3.84 -4.23 -1.21 -4.88 115.64 111.94 1uph s THR 53 Ca 0.26 -0.07 0.20 0.00 -1.18 0.00 0.00 61.69 60.89 1uph s THR 53 Cb 0.17 -3.04 0.35 0.00 1.34 0.00 0.00 72.50 71.31 1uph s THR 53 CO 0.36 0.60 2.02 0.28 -0.54 0.00 0.00 174.62 177.35 1uph h SER 54 N 5.19 0.12 -0.07 3.99 0.02 -1.86 0.75 113.55 121.69 1uph h SER 54 Ca -0.51 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.40 1uph h SER 54 Cb 1.20 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 1uph h SER 54 CO 0.57 0.07 -0.12 -0.08 -1.14 0.00 0.00 176.83 176.13 1uph h GLU 55 N 0.14 0.21 -0.82 3.45 4.81 -1.93 -1.08 114.58 119.35 1uph h GLU 55 Ca 0.21 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1uph h GLU 55 Cb 0.66 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.01 1uph h GLU 55 CO -0.03 0.70 0.46 0.78 -0.73 0.00 0.00 179.01 180.20 1uph h GLY 56 N -0.26 1.22 0.88 1.92 0.00 -1.38 0.42 103.07 105.86 1uph h GLY 56 Ca 0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 1uph h GLY 56 CO 0.03 0.52 -0.01 0.00 0.00 0.00 0.00 176.54 177.08 1uph h ARG 58 N 0.32 0.69 -0.08 0.00 1.12 -0.62 -1.35 114.38 114.45 1uph h ARG 58 Ca 0.08 -0.16 -0.00 0.00 -1.11 0.00 0.00 59.98 58.79 1uph h ARG 58 Cb 0.44 -0.09 -0.00 0.00 -0.01 0.00 0.00 29.97 30.31 1uph h ARG 58 CO 0.02 0.68 0.04 0.37 -3.11 0.00 0.00 179.97 177.97 1uph h GLN 59 N 0.65 0.12 -0.24 0.20 4.15 0.14 0.34 115.11 120.47 1uph h GLN 59 Ca 0.14 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.55 1uph h GLN 59 Cb 0.36 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 1uph h GLN 59 CO 0.01 0.22 0.12 0.82 -1.93 0.00 0.00 178.83 178.07 1uph h ILE 60 N -0.00 1.00 -0.95 2.39 2.04 -0.98 0.40 117.51 121.40 1uph h ILE 60 Ca 0.03 -0.09 0.09 0.00 1.00 0.00 0.00 64.86 65.89 1uph h ILE 60 Cb 0.14 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 36.87 1uph h ILE 60 CO -0.00 0.05 0.60 0.25 0.00 0.00 0.00 178.15 179.04 1uph h LEU 61 N 0.25 0.91 -0.87 1.44 5.85 -1.06 0.21 115.31 122.04 1uph h LEU 61 Ca 0.10 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1uph h LEU 61 Cb 0.02 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1uph h LEU 61 CO -0.06 0.53 -0.26 1.23 -0.34 0.00 0.00 178.44 179.54 1uph h GLY 62 N 1.01 0.00 1.09 3.75 0.00 0.09 0.42 103.07 109.43 1uph h GLY 62 Ca 0.44 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.59 1uph h GLY 62 CO -0.22 0.00 -0.59 -1.61 0.00 0.00 0.00 176.54 174.12 1uph h GLN 63 N 0.00 0.77 0.00 4.80 5.75 0.28 -3.14 115.11 123.57 1uph h GLN 63 Ca -0.00 -0.55 0.00 0.00 -0.15 0.00 0.00 58.65 57.95 1uph h GLN 63 Cb 0.87 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.51 1uph h GLN 63 CO 0.03 1.17 -0.83 -0.07 -2.65 0.00 0.00 178.83 176.48 1uph h LEU 64 N 0.50 0.00 -0.93 -2.39 3.38 -1.02 -3.38 115.31 111.47 1uph h LEU 64 Ca -0.02 -0.16 0.16 0.00 0.09 0.00 0.00 57.88 57.95 1uph h LEU 64 Cb 1.21 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.80 1uph h LEU 64 CO 0.13 0.08 -0.32 0.00 0.09 0.00 0.00 178.44 178.42 1uph n GLN 65 N -2.30 -0.17 0.07 1.13 6.02 0.15 1.00 117.38 123.27 1uph n GLN 65 Ca 0.02 1.44 -0.09 0.00 -0.01 0.00 0.00 57.00 58.35 1uph n GLN 65 Cb 0.48 -2.14 0.01 0.00 1.02 0.00 0.00 30.24 29.61 1uph n GLN 65 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1uph h PRO 66 N 0.00 0.28 0.00 -1.09 0.13 -1.73 -2.93 132.00 126.67 1uph h PRO 66 Ca 0.36 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1uph h PRO 66 Cb 0.60 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1uph h PRO 66 CO -0.93 0.97 0.00 0.45 -0.23 0.00 0.00 178.00 178.25 1uph n SER 67 N -3.74 0.53 0.05 1.44 2.88 0.28 -0.65 113.62 114.41 1uph n SER 67 Ca -0.04 0.73 -0.10 0.00 -1.33 0.00 0.00 58.87 58.13 1uph n SER 67 Cb 0.77 -0.81 0.03 0.00 -0.75 0.00 0.00 64.21 63.46 1uph n SER 67 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1uph h LEU 68 N 0.00 0.50 -0.86 2.46 3.38 -0.39 0.11 115.31 120.51 1uph h LEU 68 Ca 0.00 -0.32 0.32 0.00 0.09 0.00 0.00 57.88 57.97 1uph h LEU 68 Cb 0.04 -0.15 -0.16 0.00 0.09 0.00 0.00 40.66 40.49 1uph h LEU 68 CO 0.00 1.05 0.32 0.00 0.09 0.00 0.00 178.44 179.90 1uph n GLN 69 N -3.86 -0.06 -2.78 1.13 1.13 0.18 -1.42 117.38 111.70 1uph n GLN 69 Ca -0.04 1.22 -0.00 0.00 -1.94 0.00 0.00 57.00 56.23 1uph n GLN 69 Cb 0.69 -2.10 0.06 0.00 0.11 0.00 0.00 30.24 29.00 1uph n GLN 69 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 1uph n THR 70 N -5.04 1.02 -2.04 5.09 5.66 -1.20 -5.12 114.28 112.65 1uph n THR 70 Ca 0.29 -2.53 -0.28 0.00 -3.05 0.00 0.00 64.05 58.47 1uph n THR 70 Cb 0.97 1.25 0.12 0.00 -1.55 0.00 0.00 70.33 71.11 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 -3.29 1.69 0.57 1.09 0.00 0.36 -5.08 107.32 102.67 1uph s GLY 71 Ca 0.24 -0.99 -0.02 0.00 0.00 0.00 0.00 44.72 43.94 1uph s GLY 71 CO -0.06 -0.42 0.84 -1.35 0.00 0.00 0.00 173.10 172.11 1uph s SER 72 N -4.68 5.37 0.21 1.64 1.04 -1.26 -4.88 113.70 111.13 1uph s SER 72 Ca 0.66 0.34 -0.09 0.00 0.48 0.00 0.00 55.95 57.33 1uph s SER 72 Cb -0.08 -1.27 0.22 0.00 0.10 0.00 0.00 66.02 64.98 1uph s SER 72 CO 0.49 -1.13 1.84 -0.08 0.98 0.00 0.00 173.24 175.34 1uph h GLU 73 N -0.07 0.83 -0.34 4.02 4.81 -1.98 0.28 114.58 122.12 1uph h GLU 73 Ca -0.44 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 58.66 1uph h GLU 73 Cb 1.28 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1uph h GLU 73 CO 0.57 0.55 -0.08 0.93 -0.73 0.00 0.00 179.01 180.25 1uph h GLU 74 N 0.86 0.67 -0.93 1.92 5.08 -1.99 -1.05 114.58 119.13 1uph h GLU 74 Ca 0.30 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1uph h GLU 74 Cb 0.06 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 1uph h GLU 74 CO -0.13 0.83 0.58 1.25 -1.00 0.00 0.00 179.01 180.54 1uph h LEU 75 N 0.45 1.10 -0.38 1.33 6.46 -1.79 -0.93 115.31 121.55 1uph h LEU 75 Ca 0.09 -0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.75 1uph h LEU 75 Cb 0.59 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.22 1uph h LEU 75 CO 0.03 0.83 0.07 -0.09 -0.62 0.00 0.00 178.44 178.67 1uph h ARG 76 N 1.28 0.63 -0.89 1.25 2.43 -0.24 -0.91 114.38 117.92 1uph h ARG 76 Ca 0.34 -0.16 0.05 0.00 -0.81 0.00 0.00 59.98 59.39 1uph h ARG 76 Cb -0.08 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.33 1uph h ARG 76 CO -0.07 0.68 0.57 0.77 -1.51 0.00 0.00 179.97 180.41 1uph h SER 77 N 0.48 0.93 -0.38 -3.80 0.02 -0.57 -0.71 113.55 109.51 1uph h SER 77 Ca 0.12 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1uph h SER 77 Cb 0.34 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1uph h SER 77 CO 0.01 0.62 0.09 0.25 -1.14 0.00 0.00 176.83 176.66 1uph h LEU 78 N 1.08 0.58 -0.76 5.07 5.85 -0.90 -1.14 115.31 125.10 1uph h LEU 78 Ca 0.37 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.94 1uph h LEU 78 Cb 0.07 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 1uph h LEU 78 CO -0.14 0.66 0.42 0.22 -0.34 0.00 0.00 178.44 179.26 1uph h TYR 79 N 0.47 0.77 -0.43 1.25 3.20 -0.26 0.31 116.97 122.28 1uph h TYR 79 Ca 0.12 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 1uph h TYR 79 Cb 0.31 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1uph h TYR 79 CO 0.02 0.33 0.09 -0.97 -1.64 0.00 0.00 178.16 175.99 1uph h ASN 80 N 0.74 0.67 -0.73 -2.11 -0.73 -0.90 -0.97 115.58 111.54 1uph h ASN 80 Ca 0.35 -0.24 -0.00 0.00 1.87 0.00 0.00 56.30 58.28 1uph h ASN 80 Cb 0.29 -0.18 -0.04 0.00 0.27 0.00 0.00 38.32 38.67 1uph h ASN 80 CO -0.22 0.74 0.44 0.74 -0.37 0.00 0.00 177.43 178.76 1uph h THR 81 N 0.56 1.21 -0.59 -3.57 2.02 -0.12 -1.25 112.91 111.17 1uph h THR 81 Ca 0.13 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1uph h THR 81 Cb 0.34 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1uph h THR 81 CO 0.00 0.21 0.33 0.40 0.37 0.00 0.00 175.52 176.84 1uph h ILE 82 N 0.99 1.19 -0.32 3.11 1.08 -0.15 0.14 117.51 123.55 1uph h ILE 82 Ca 0.26 -0.48 0.04 0.00 -0.39 0.00 0.00 64.86 64.30 1uph h ILE 82 Cb -0.04 0.42 -0.04 0.00 -3.07 0.00 0.00 36.82 34.09 1uph h ILE 82 CO -0.05 0.21 0.08 0.00 -0.69 0.00 0.00 178.15 177.69 1uph h ALA 83 N 1.16 0.34 -0.51 1.87 0.00 -0.57 0.56 119.26 122.11 1uph h ALA 83 Ca 0.21 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1uph h ALA 83 Cb 0.04 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1uph h ALA 83 CO -0.03 -0.33 0.27 0.28 0.00 0.00 0.00 179.25 179.44 1uph h VAL 84 N 0.19 1.16 -0.61 0.00 2.07 -0.77 0.09 116.25 118.38 1uph h VAL 84 Ca 0.15 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1uph h VAL 84 Cb 0.15 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1uph h VAL 84 CO -0.18 0.17 0.19 0.25 0.02 0.00 0.00 177.57 178.03 1uph h LEU 85 N 0.70 0.86 -0.51 2.57 5.85 0.78 -1.05 115.31 124.50 1uph h LEU 85 Ca 0.18 -0.14 -0.17 0.00 0.84 0.00 0.00 57.88 58.59 1uph h LEU 85 Cb 0.02 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1uph h LEU 85 CO -0.03 0.80 -0.65 0.22 -0.34 0.00 0.00 178.44 178.44 1uph h TYR 86 N 0.90 0.50 -0.39 1.25 3.20 0.46 0.26 116.97 123.15 1uph h TYR 86 Ca 0.20 -0.20 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1uph h TYR 86 Cb 0.25 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1uph h TYR 86 CO 0.02 0.92 0.15 0.00 -1.64 0.00 0.00 178.16 177.61 1uph h VAL 88 N 0.48 1.40 -0.85 0.00 3.04 -1.14 1.67 116.25 120.84 1uph h VAL 88 Ca 0.13 -1.43 0.20 0.00 -1.01 0.00 0.00 66.70 64.59 1uph h VAL 88 Cb 0.21 2.12 -0.12 0.00 -2.01 0.00 0.00 31.29 31.49 1uph h VAL 88 CO -0.01 0.41 0.33 0.45 -1.01 0.00 0.00 177.57 177.73 1uph h HIS 89 N -0.19 0.53 0.00 3.17 -0.00 -0.32 0.76 115.15 119.10 1uph h HIS 89 Ca 0.01 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 1uph h HIS 89 Cb 0.73 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.04 1uph h HIS 89 CO 0.11 -0.06 -0.57 1.96 -0.00 0.00 0.00 177.93 179.37 1uph h GLN 90 N 0.36 0.00 -3.40 2.45 4.20 -1.01 -3.44 115.11 114.27 1uph h GLN 90 Ca 0.52 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.20 1uph h GLN 90 Cb 0.96 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.76 1uph h GLN 90 CO -0.53 0.00 -0.09 0.54 -0.67 0.00 0.00 178.83 178.08 1uph n ARG 91 N -2.36 -0.32 -4.50 1.46 1.74 0.26 -5.06 116.66 107.88 1uph n ARG 91 Ca 0.03 0.33 -0.34 0.00 -0.77 0.00 0.00 57.85 57.10 1uph n ARG 91 Cb 0.47 -2.21 -0.12 0.00 -1.02 0.00 0.00 32.46 29.58 1uph n ARG 91 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1uph s ILE 92 N -3.04 3.73 -0.30 0.55 -1.09 0.52 -4.97 121.20 116.60 1uph s ILE 92 Ca 0.05 -0.43 -0.41 0.00 -2.23 0.00 0.00 60.65 57.63 1uph s ILE 92 Cb -0.01 -2.60 -0.16 0.00 -1.58 0.00 0.00 42.46 38.11 1uph s ILE 92 CO 0.12 0.52 1.71 -0.90 -1.23 0.00 0.00 174.94 175.17 1uph n ASP 93 N 3.26 2.19 -4.16 3.58 5.75 -1.26 -4.61 116.55 121.30 1uph n ASP 93 Ca -0.18 1.09 -0.15 0.00 -0.01 0.00 0.00 54.79 55.55 1uph n ASP 93 Cb 0.53 -1.10 -0.10 0.00 -1.03 0.00 0.00 41.12 39.42 1uph n ASP 93 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1uph s VAL 94 N 3.39 0.24 0.00 2.12 -7.23 -1.26 -4.97 120.40 112.70 1uph s VAL 94 Ca 0.99 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 1uph s VAL 94 Cb -1.13 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 33.26 1uph s VAL 94 CO 0.68 0.00 0.00 0.29 -0.31 0.00 0.00 175.10 175.76 1uph n LYS 95 N -0.41 0.00 -4.18 4.82 5.02 -1.26 -4.95 118.16 117.20 1uph n LYS 95 Ca 0.01 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.16 1uph n LYS 95 Cb 0.66 -0.05 -0.11 0.00 -0.02 0.00 0.00 35.03 35.51 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 -2.33 1.46 0.37 4.39 -4.77 -1.26 -0.25 116.67 114.27 1uph s ASP 96 Ca 0.00 -0.82 0.04 0.00 -3.30 0.00 0.00 52.55 48.47 1uph s ASP 96 Cb 0.00 0.01 0.70 0.00 -1.09 0.00 0.00 42.92 42.53 1uph s ASP 96 CO 0.00 -0.27 2.00 0.00 0.70 0.00 0.00 175.17 177.61 1uph h THR 97 N 3.53 1.15 -0.38 2.11 1.03 -1.42 0.30 112.91 119.24 1uph h THR 97 Ca -0.37 -0.34 -0.11 0.00 -0.01 0.00 0.00 66.41 65.58 1uph h THR 97 Cb 1.19 0.42 -0.01 0.00 -1.07 0.00 0.00 68.15 68.68 1uph h THR 97 CO 0.53 0.16 -0.18 0.50 -0.01 0.00 0.00 175.52 176.52 1uph h LYS 98 N 0.71 0.79 -0.26 0.00 3.64 -1.85 -0.58 116.57 119.02 1uph h LYS 98 Ca 0.19 -0.34 -0.06 0.00 -1.27 0.00 0.00 60.65 59.17 1uph h LYS 98 Cb -0.02 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1uph h LYS 98 CO -0.03 0.96 -0.09 1.49 -2.27 0.00 0.00 179.45 179.51 1uph h GLU 99 N 0.58 0.42 -0.27 1.90 4.81 -1.71 0.32 114.58 120.63 1uph h GLU 99 Ca 0.08 -0.10 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 1uph h GLU 99 Cb 0.73 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.05 1uph h GLU 99 CO 0.05 0.52 -0.43 0.00 -0.73 0.00 0.00 179.01 178.42 1uph h ALA 100 N 1.52 0.42 -0.40 2.92 0.00 -0.70 0.38 119.26 123.40 1uph h ALA 100 Ca 0.08 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 1uph h ALA 100 Cb 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1uph h ALA 100 CO 0.02 0.55 -0.28 1.25 0.00 0.00 0.00 179.25 180.79 1uph h LEU 101 N 0.52 0.88 -0.47 0.00 5.85 -0.64 -0.19 115.31 121.26 1uph h LEU 101 Ca 0.02 -0.35 -0.17 0.00 0.84 0.00 0.00 57.88 58.23 1uph h LEU 101 Cb 1.03 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 1uph h LEU 101 CO 0.10 1.10 -0.53 -0.78 -0.34 0.00 0.00 178.44 177.98 1uph h ASP 102 N 0.72 0.72 -0.07 1.25 3.58 -0.28 0.17 116.42 122.51 1uph h ASP 102 Ca 0.09 -0.38 -0.00 0.00 0.42 0.00 0.00 57.03 57.15 1uph h ASP 102 Cb 0.83 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.67 1uph h ASP 102 CO 0.07 1.11 0.03 0.50 -2.88 0.00 0.00 179.24 178.07 1uph h LYS 103 N 0.50 0.11 -0.28 0.28 1.63 0.00 0.41 116.57 119.23 1uph h LYS 103 Ca 0.01 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.70 1uph h LYS 103 Cb 1.09 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 1uph h LYS 103 CO 0.11 0.25 -0.21 0.97 -3.45 0.00 0.00 179.45 177.12 1uph h ILE 104 N -0.05 1.26 -0.85 2.00 2.10 -0.98 -1.32 117.51 119.66 1uph h ILE 104 Ca 0.02 -1.20 -0.03 0.00 1.08 0.00 0.00 64.86 64.73 1uph h ILE 104 Cb 0.18 1.27 -0.04 0.00 -1.09 0.00 0.00 36.82 37.14 1uph h ILE 104 CO -0.00 0.39 0.40 -0.33 -1.08 0.00 0.00 178.15 177.52 1uph h GLU 105 N 0.46 1.22 0.11 2.19 3.07 -0.28 0.19 114.58 121.55 1uph h GLU 105 Ca 0.07 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.36 58.74 1uph h GLU 105 Cb 0.62 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1uph h GLU 105 CO 0.04 0.95 -0.05 1.49 -1.40 0.00 0.00 179.01 180.04 1uph h GLU 106 N 1.21 -0.15 -0.67 2.33 4.81 -0.52 0.65 114.58 122.24 1uph h GLU 106 Ca 0.29 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.60 1uph h GLU 106 Cb 0.13 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.49 1uph h GLU 106 CO -0.03 0.26 0.36 1.49 -0.73 0.00 0.00 179.01 180.35 1uph h GLU 107 N -0.60 0.62 -0.33 1.92 4.57 -1.12 0.59 114.58 120.24 1uph h GLU 107 Ca -0.02 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.03 1uph h GLU 107 Cb 0.47 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 1uph h GLU 107 CO 0.03 0.41 -0.19 0.37 -1.18 0.00 0.00 179.01 178.44 1uph h GLN 108 N 0.64 0.62 0.28 1.92 5.75 -0.61 0.13 115.11 123.85 1uph h GLN 108 Ca 0.31 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 1uph h GLN 108 Cb 0.25 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.76 1uph h GLN 108 CO -0.21 0.78 -0.14 -0.97 -2.65 0.00 0.00 178.83 175.64 1uph h ASN 109 N 0.55 -0.32 -0.88 -0.69 -0.73 0.63 0.39 115.58 114.53 1uph h ASN 109 Ca 0.09 -0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.20 1uph h ASN 109 Cb 0.64 0.08 -0.04 0.00 0.27 0.00 0.00 38.32 39.27 1uph h ASN 109 CO 0.05 -0.17 0.51 0.07 -0.37 0.00 0.00 177.43 177.52 1uph h LYS 110 N -0.46 1.21 -0.56 6.67 2.10 -0.84 -0.73 116.57 123.96 1uph h LYS 110 Ca -0.04 -0.12 -0.04 0.00 -2.00 0.00 0.00 60.65 58.44 1uph h LYS 110 Cb 0.35 -0.25 -0.03 0.00 -0.90 0.00 0.00 32.23 31.40 1uph h LYS 110 CO 0.06 0.86 0.17 0.66 -2.00 0.00 0.00 179.45 179.21 1uph h SER 111 N 1.22 0.78 0.28 7.07 4.64 -0.59 0.84 113.55 127.79 1uph h SER 111 Ca 0.31 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 1uph h SER 111 Cb -0.02 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 1uph h SER 111 CO -0.06 0.74 -0.13 0.50 -0.87 0.00 0.00 176.83 177.01 1uph h LYS 112 N 0.82 -0.36 -0.92 4.77 3.64 0.83 0.79 116.57 126.13 1uph h LYS 112 Ca 0.19 0.02 0.25 0.00 -1.27 0.00 0.00 60.65 59.84 1uph h LYS 112 Cb 0.25 0.08 -0.13 0.00 -0.41 0.00 0.00 32.23 32.01 1uph h LYS 112 CO -0.01 -0.24 0.39 1.57 -2.27 0.00 0.00 179.45 178.89 1uph h LYS 113 N -0.48 0.32 0.06 1.90 2.10 -1.17 0.40 116.57 119.71 1uph h LYS 113 Ca -0.04 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1uph h LYS 113 Cb 0.29 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.53 1uph h LYS 113 CO 0.06 0.21 -0.07 0.87 -2.00 0.00 0.00 179.45 178.53 1uph h LYS 114 N 0.33 -0.15 -0.55 0.07 1.57 -0.77 0.21 116.57 117.29 1uph h LYS 114 Ca 0.60 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.50 1uph h LYS 114 Cb 1.21 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 33.46 1uph h LYS 114 CO -0.58 -0.10 -0.12 0.00 -0.57 0.00 0.00 179.45 178.08 1uph h ALA 115 N 0.77 0.38 -0.32 3.86 0.00 0.23 0.48 119.26 124.66 1uph h ALA 115 Ca 0.01 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1uph h ALA 115 Cb 0.16 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1uph h ALA 115 CO -0.03 -0.43 0.20 0.37 0.00 0.00 0.00 179.25 179.36 1uph h GLN 116 N 0.01 0.43 -0.90 0.00 4.15 -0.65 0.34 115.11 118.50 1uph h GLN 116 Ca 0.27 -0.04 0.19 0.00 0.77 0.00 0.00 58.65 59.84 1uph h GLN 116 Cb 0.41 -0.09 -0.11 0.00 0.21 0.00 0.00 27.48 27.89 1uph h GLN 116 CO -0.55 0.32 0.45 0.37 -1.93 0.00 0.00 178.83 177.48 1uph h GLN 117 N 0.41 0.51 0.04 1.69 4.15 0.15 0.22 115.11 122.27 1uph h GLN 117 Ca 0.11 -0.03 -0.26 0.00 0.77 0.00 0.00 58.65 59.24 1uph h GLN 117 Cb -0.00 -0.12 0.02 0.00 0.21 0.00 0.00 27.48 27.59 1uph h GLN 117 CO -0.02 0.34 -1.07 0.00 -1.93 0.00 0.00 178.83 176.14 1uph h ALA 118 N 1.65 0.17 -0.71 3.38 0.00 -0.51 0.11 119.26 123.36 1uph h ALA 118 Ca 0.53 -0.73 0.16 0.00 0.00 0.00 0.00 54.91 54.88 1uph h ALA 118 Cb 0.92 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1uph h ALA 118 CO -0.45 0.74 0.48 0.00 0.00 0.00 0.00 179.25 180.03 1uph h ALA 119 N 0.49 2.31 0.00 0.00 0.00 0.26 0.17 119.26 122.49 1uph h ALA 119 Ca -0.13 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1uph h ALA 119 Cb 1.73 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1uph h ALA 119 CO 0.20 -0.51 -0.79 0.00 0.00 0.00 0.00 179.25 178.15 1uph h ALA 120 N 1.66 0.11 -0.13 0.00 0.00 -0.79 -3.40 119.26 116.71 1uph h ALA 120 Ca 0.34 -0.78 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1uph h ALA 120 Cb 1.00 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1uph h ALA 120 CO -0.08 0.56 -0.10 0.22 0.00 0.00 0.00 179.25 179.85 1uph h ASP 121 N -1.00 -0.37 -6.14 0.00 3.58 -0.42 -3.46 116.42 108.61 1uph h ASP 121 Ca -0.14 0.05 -0.17 0.00 0.42 0.00 0.00 57.03 57.19 1uph h ASP 121 Cb 0.83 0.16 0.01 0.00 1.72 0.00 0.00 39.33 42.04 1uph h ASP 121 CO -0.09 -0.06 -1.03 0.35 -2.88 0.00 0.00 179.24 175.53 1uph n THR 122 N -3.31 -2.63 -3.57 2.25 -2.24 0.55 -4.99 114.28 100.34 1uph n THR 122 Ca -0.00 0.29 -0.02 0.00 -2.27 0.00 0.00 64.05 62.05 1uph n THR 122 Cb 0.05 -3.02 -0.05 0.00 -2.10 0.00 0.00 70.33 65.22 1uph n THR 122 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1uph s GLY 123 N -1.12 -0.42 0.08 3.38 0.00 -1.26 -5.13 107.32 102.84 1uph s GLY 123 Ca 0.16 2.71 -0.26 0.00 0.00 0.00 0.00 44.72 47.33 1uph s GLY 123 CO 0.36 2.91 0.85 0.54 0.00 0.00 0.00 173.10 177.76 1uph s ASN 124 N 2.25 -0.34 -0.25 1.64 2.20 -1.26 -5.16 114.94 114.01 1uph s ASN 124 Ca -0.06 -0.14 -0.08 0.00 -0.94 0.00 0.00 52.86 51.63 1uph s ASN 124 Cb -0.07 0.47 0.11 0.00 -2.00 0.00 0.00 41.25 39.76 1uph s ASN 124 CO -0.18 -0.79 0.54 0.21 -2.94 0.00 0.00 177.10 173.93 1uph s ASN 125 N -2.67 -0.71 -0.26 3.54 3.84 -1.26 -5.15 114.94 112.26 1uph s ASN 125 Ca 0.07 1.26 -0.28 0.00 0.21 0.00 0.00 52.86 54.12 1uph s ASN 125 Cb -0.01 1.84 0.17 0.00 -0.55 0.00 0.00 41.25 42.69 1uph s ASN 125 CO -0.06 -0.23 1.25 -0.55 -2.79 0.00 0.00 177.10 174.73 1uph s SER 126 N 2.76 -0.17 -0.32 -4.21 0.15 -1.26 -5.11 113.70 105.54 1uph s SER 126 Ca -0.03 0.24 -0.05 0.00 0.70 0.00 0.00 55.95 56.82 1uph s SER 126 Cb -0.12 0.21 0.26 0.00 -1.71 0.00 0.00 66.02 64.66 1uph s SER 126 CO -0.16 -0.12 1.23 1.67 1.20 0.00 0.00 173.24 177.06 1uph n GLN 127 N 1.03 0.06 -3.74 5.44 -0.06 -1.26 -5.16 117.38 113.70 1uph n GLN 127 Ca -0.06 -0.62 -0.35 0.00 -2.00 0.00 0.00 57.00 53.97 1uph n GLN 127 Cb 0.58 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.71 1uph n GLN 127 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1uph s VAL 128 N 0.33 5.29 -0.05 1.69 1.01 -1.26 -5.07 120.40 122.35 1uph s VAL 128 Ca 0.25 0.26 -0.31 0.00 0.00 0.00 0.00 61.98 62.18 1uph s VAL 128 Cb 0.19 -3.56 0.13 0.00 0.00 0.00 0.00 36.38 33.14 1uph s VAL 128 CO -0.08 0.42 1.34 -0.44 0.00 0.00 0.00 175.10 176.35 1uph s SER 129 N -1.54 -0.04 -0.04 3.32 0.01 -1.26 -5.18 113.70 108.97 1uph s SER 129 Ca 0.26 -0.09 -0.26 0.00 1.31 0.00 0.00 55.95 57.17 1uph s SER 129 Cb -0.13 0.11 0.06 0.00 0.21 0.00 0.00 66.02 66.26 1uph s SER 129 CO 0.14 -0.19 0.56 -1.58 0.41 0.00 0.00 173.24 172.58 1uph s GLN 130 N -2.28 0.94 0.20 12.44 -0.44 -1.26 -5.18 119.66 124.08 1uph s GLN 130 Ca 0.14 0.12 0.01 0.00 -2.50 0.00 0.00 55.36 53.13 1uph s GLN 130 Cb 0.06 0.44 -0.05 0.00 -1.64 0.00 0.00 33.01 31.82 1uph s GLN 130 CO -0.05 -0.28 0.04 0.54 0.50 0.00 0.00 175.29 176.04 1uph s ASN 131 N -1.24 1.09 0.00 6.67 4.22 -1.26 -5.37 114.94 119.06 1uph s ASN 131 Ca -0.12 -1.25 0.00 0.00 -2.14 0.00 0.00 52.86 49.35 1uph s ASN 131 Cb -0.02 0.16 0.00 0.00 1.28 0.00 0.00 41.25 42.67 1uph s ASN 131 CO 0.08 -0.64 0.00 0.00 -2.04 0.00 0.00 177.10 174.50