#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 -3.78 -1.95 4.61 0.00 -1.26 -4.63 120.51 113.51 1uph n ALA 3 Ca 0.00 0.70 -0.42 0.00 0.00 0.00 0.00 53.44 53.72 1uph n ALA 3 Cb 0.00 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.98 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 -3.24 4.19 0.44 0.00 6.06 -1.26 -4.75 118.95 120.39 1uph s ARG 4 Ca 0.00 2.29 0.00 0.00 -2.50 0.00 0.00 55.73 55.52 1uph s ARG 4 Cb 0.00 -3.81 0.00 0.00 0.06 0.00 0.00 34.95 31.20 1uph s ARG 4 CO 0.00 -0.79 0.00 0.00 -2.50 0.00 0.00 175.30 172.01 1uph n ALA 5 N 6.41 -1.67 -2.66 6.12 0.00 -1.26 -4.90 120.51 122.55 1uph n ALA 5 Ca 0.17 0.12 -0.03 0.00 0.00 0.00 0.00 53.44 53.69 1uph n ALA 5 Cb 0.42 -0.51 0.11 0.00 0.00 0.00 0.00 19.45 19.47 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 -4.07 -1.23 0.00 0.00 7.64 -1.26 -4.82 113.62 109.88 1uph n SER 6 Ca 0.00 -1.87 0.00 0.00 1.01 0.00 0.00 58.87 58.02 1uph n SER 6 Cb 0.18 1.13 0.00 0.00 -1.01 0.00 0.00 64.21 64.51 1uph n SER 6 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1uph n VAL 7 N 0.54 0.00 -3.50 0.44 0.31 -1.26 -3.77 118.33 111.09 1uph n VAL 7 Ca -0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.17 1uph n VAL 7 Cb 0.76 -0.78 -0.02 0.00 -0.91 0.00 0.00 33.84 32.89 1uph n VAL 7 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 1uph s LEU 8 N -5.04 -0.51 1.28 7.52 2.34 -1.26 -4.22 118.68 118.79 1uph s LEU 8 Ca 0.00 -0.11 -0.17 0.00 0.06 0.00 0.00 54.13 53.91 1uph s LEU 8 Cb 0.00 2.61 0.31 0.00 -0.56 0.00 0.00 46.19 48.55 1uph s LEU 8 CO 0.00 -1.03 0.84 -0.24 -1.06 0.00 0.00 176.35 174.86 1uph n SER 9 N -0.39 -2.72 0.25 1.48 2.88 -1.26 -4.59 113.62 109.27 1uph n SER 9 Ca -0.15 -0.42 -0.16 0.00 -1.33 0.00 0.00 58.87 56.82 1uph n SER 9 Cb 0.64 -1.12 -0.08 0.00 -0.75 0.00 0.00 64.21 62.90 1uph n SER 9 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1uph h GLY 10 N -2.99 -0.65 -0.32 0.46 0.00 -2.00 0.93 103.07 98.51 1uph h GLY 10 Ca -0.54 0.26 0.19 0.00 0.00 0.00 0.00 47.33 47.24 1uph h GLY 10 CO 0.40 -0.24 0.11 -1.33 0.00 0.00 0.00 176.54 175.47 1uph h GLY 11 N -0.62 1.03 1.88 4.60 0.00 -2.00 0.72 103.07 108.67 1uph h GLY 11 Ca -0.05 0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 1uph h GLY 11 CO 0.06 -0.29 -0.45 0.83 0.00 0.00 0.00 176.54 176.69 1uph h GLU 12 N 0.17 0.13 -0.49 4.80 3.07 -1.82 -1.37 114.58 119.07 1uph h GLU 12 Ca 0.45 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 1uph h GLU 12 Cb 0.83 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.71 1uph h GLU 12 CO -0.63 0.56 0.32 -0.07 -1.40 0.00 0.00 179.01 177.79 1uph h LEU 13 N 0.11 0.57 -0.00 1.33 -0.00 0.29 0.41 115.31 118.01 1uph h LEU 13 Ca 0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1uph h LEU 13 Cb 0.84 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 41.36 1uph h LEU 13 CO 0.06 0.42 -0.00 -0.78 -0.00 0.00 0.00 178.44 178.14 1uph h ASP 14 N 0.67 0.01 -0.29 -0.43 3.58 -0.90 0.22 116.42 119.27 1uph h ASP 14 Ca 0.18 -0.46 0.08 0.00 0.42 0.00 0.00 57.03 57.25 1uph h ASP 14 Cb -0.07 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 1uph h ASP 14 CO -0.04 0.46 0.26 0.50 -2.88 0.00 0.00 179.24 177.55 1uph h LYS 15 N -0.45 0.00 0.17 0.28 1.63 -1.01 0.28 116.57 117.47 1uph h LYS 15 Ca 0.00 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.52 1uph h LYS 15 Cb 0.46 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.12 1uph h LYS 15 CO 0.00 0.00 -1.20 2.35 -3.45 0.00 0.00 179.45 177.15 1uph h TRP 16 N 0.00 0.88 -0.47 1.91 2.91 0.13 -3.20 115.95 118.11 1uph h TRP 16 Ca 0.14 -0.60 -0.25 0.00 1.13 0.00 0.00 58.89 59.31 1uph h TRP 16 Cb 0.66 -0.05 -0.14 0.00 -0.51 0.00 0.00 29.16 29.12 1uph h TRP 16 CO 0.00 1.46 0.31 -0.85 -1.03 0.00 0.00 178.44 178.33 1uph n GLU 17 N -3.87 1.60 0.00 2.65 -0.00 0.79 -3.35 120.64 118.46 1uph n GLU 17 Ca -0.15 -1.42 0.01 0.00 -0.00 0.00 0.00 57.16 55.61 1uph n GLU 17 Cb 0.98 -1.56 -0.01 0.00 -0.00 0.00 0.00 31.44 30.86 1uph n GLU 17 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1uph n LYS 18 N -0.23 4.16 -3.17 3.44 4.76 -0.04 -4.56 118.16 122.51 1uph n LYS 18 Ca 0.28 -0.20 -0.39 0.00 -2.87 0.00 0.00 58.31 55.13 1uph n LYS 18 Cb 1.02 -0.74 -0.06 0.00 -1.84 0.00 0.00 35.03 33.41 1uph n LYS 18 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1uph s ILE 19 N -0.92 4.63 0.34 -0.18 1.01 -1.21 -4.93 121.20 119.93 1uph s ILE 19 Ca 0.02 1.38 -0.09 0.00 0.00 0.00 0.00 60.65 61.95 1uph s ILE 19 Cb 0.02 -3.98 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 1uph s ILE 19 CO 0.08 0.54 0.67 0.00 0.00 0.00 0.00 174.94 176.23 1uph s ARG 20 N -1.06 3.77 -0.02 2.79 1.70 -0.48 -0.63 118.95 125.02 1uph s ARG 20 Ca 0.31 0.34 -0.14 0.00 -0.47 0.00 0.00 55.73 55.77 1uph s ARG 20 Cb -0.21 -2.50 -0.33 0.00 -0.57 0.00 0.00 34.95 31.35 1uph s ARG 20 CO 0.21 0.11 0.80 -0.07 -1.08 0.00 0.00 175.30 175.27 1uph h LEU 21 N 1.68 0.69 -9.02 -1.89 3.38 -0.51 0.39 115.31 110.03 1uph h LEU 21 Ca -0.47 -0.93 -0.65 0.00 0.09 0.00 0.00 57.88 55.91 1uph h LEU 21 Cb 1.18 -0.22 -0.19 0.00 0.09 0.00 0.00 40.66 41.52 1uph h LEU 21 CO 0.65 1.73 -0.83 -0.13 0.09 0.00 0.00 178.44 179.96 1uph s ARG 22 N -2.57 1.50 0.14 1.13 0.52 -1.26 -4.31 118.95 114.10 1uph s ARG 22 Ca -0.14 -1.51 -0.04 0.00 -0.52 0.00 0.00 55.73 53.52 1uph s ARG 22 Cb 0.05 -1.83 -0.05 0.00 0.52 0.00 0.00 34.95 33.63 1uph s ARG 22 CO 0.88 0.40 1.35 -1.00 0.02 0.00 0.00 175.30 176.95 1uph h PRO 23 N 3.24 0.43 -0.12 3.54 0.13 -1.96 -3.27 132.00 133.99 1uph h PRO 23 Ca -0.47 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.25 1uph h PRO 23 Cb 1.21 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1uph h PRO 23 CO 0.47 1.07 0.00 0.41 -0.23 0.00 0.00 178.00 179.72 1uph n GLY 24 N 0.81 0.69 0.36 1.56 0.00 -1.26 -5.01 105.19 102.33 1uph n GLY 24 Ca -0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 46.02 45.64 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 0.50 0.52 2.56 -0.02 0.00 -1.24 -5.05 105.19 102.47 1uph n GLY 25 Ca 0.07 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.18 2.25 -4.49 1.61 2.85 -1.26 -4.82 118.16 113.13 1uph n LYS 26 Ca 0.02 -3.75 -0.24 0.00 -1.05 0.00 0.00 58.31 53.28 1uph n LYS 26 Cb 0.05 -1.76 -0.10 0.00 -0.65 0.00 0.00 35.03 32.58 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 -3.53 1.71 0.36 -1.58 -0.14 -1.26 -5.02 119.74 110.29 1uph s LYS 27 Ca 0.36 -1.81 -0.14 0.00 -1.36 0.00 0.00 55.97 53.02 1uph s LYS 27 Cb 0.39 -1.76 0.05 0.00 -1.68 0.00 0.00 37.83 34.84 1uph s LYS 27 CO -0.03 0.29 0.73 0.00 -0.76 0.00 0.00 175.35 175.59 1uph n GLN 28 N -0.66 1.05 -2.39 1.68 10.64 -1.26 0.23 117.38 126.68 1uph n GLN 28 Ca -0.05 -2.05 -0.26 0.00 -1.83 0.00 0.00 57.00 52.81 1uph n GLN 28 Cb 0.61 2.56 0.04 0.00 -0.86 0.00 0.00 30.24 32.58 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 -2.69 3.17 -0.10 2.61 1.51 0.20 -4.73 117.35 117.32 1uph s TYR 29 Ca 0.15 0.56 -0.31 0.00 -1.01 0.00 0.00 57.07 56.45 1uph s TYR 29 Cb -0.05 -2.82 0.11 0.00 -0.11 0.00 0.00 41.96 39.10 1uph s TYR 29 CO 0.11 -0.93 1.40 0.21 -1.11 0.00 0.00 175.55 175.23 1uph s LYS 30 N -5.02 0.01 0.59 -0.62 2.20 -1.26 -4.25 119.74 111.39 1uph s LYS 30 Ca 0.55 -0.00 0.28 0.00 -0.36 0.00 0.00 55.97 56.44 1uph s LYS 30 Cb -0.11 0.00 1.57 0.00 -1.51 0.00 0.00 37.83 37.79 1uph s LYS 30 CO 0.44 -0.00 2.02 1.25 -0.36 0.00 0.00 175.35 178.70 1uph h LEU 31 N 2.00 0.00 -0.40 5.43 7.12 -1.98 0.21 115.31 127.69 1uph h LEU 31 Ca -0.23 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.76 1uph h LEU 31 Cb 1.18 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.29 1uph h LEU 31 CO 0.29 0.00 0.16 0.11 -0.13 0.00 0.00 178.44 178.87 1uph h LYS 32 N 0.00 0.60 -0.19 1.25 1.79 -1.98 0.41 116.57 118.44 1uph h LYS 32 Ca 0.14 -0.11 -0.15 0.00 -2.18 0.00 0.00 60.65 58.35 1uph h LYS 32 Cb 0.77 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 1uph h LYS 32 CO -0.00 0.56 -0.50 0.45 -1.08 0.00 0.00 179.45 178.88 1uph h HIS 33 N 0.50 0.64 -0.43 -1.35 3.86 -1.01 -0.59 115.15 116.76 1uph h HIS 33 Ca 0.13 -0.21 -0.09 0.00 -1.16 0.00 0.00 60.37 59.04 1uph h HIS 33 Cb 0.19 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1uph h HIS 33 CO -0.00 0.92 -0.11 0.82 0.86 0.00 0.00 177.93 180.42 1uph h ILE 34 N 0.41 1.26 -0.30 2.45 2.04 -0.81 0.22 117.51 122.78 1uph h ILE 34 Ca 0.02 -1.16 -0.18 0.00 1.00 0.00 0.00 64.86 64.53 1uph h ILE 34 Cb 1.02 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1uph h ILE 34 CO 0.09 0.40 -0.53 0.58 0.00 0.00 0.00 178.15 178.69 1uph h VAL 35 N 0.69 1.27 -0.07 1.67 2.07 0.04 0.40 116.25 122.32 1uph h VAL 35 Ca 0.12 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.92 1uph h VAL 35 Cb 0.58 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1uph h VAL 35 CO 0.04 0.56 0.02 -0.25 0.02 0.00 0.00 177.57 177.96 1uph h TRP 36 N 0.68 0.12 -0.76 1.57 7.01 -0.77 0.23 115.95 124.03 1uph h TRP 36 Ca 0.02 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 1uph h TRP 36 Cb 1.14 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 28.13 1uph h TRP 36 CO 0.07 0.27 0.27 0.00 -2.79 0.00 0.00 178.44 176.25 1uph h ALA 37 N 0.84 0.99 -0.40 2.65 0.00 -0.53 -0.97 119.26 121.84 1uph h ALA 37 Ca 0.02 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1uph h ALA 37 Cb 0.20 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1uph h ALA 37 CO -0.00 0.65 0.16 1.03 0.00 0.00 0.00 179.25 181.09 1uph h SER 38 N 1.12 0.20 -0.57 0.00 0.87 0.14 0.28 113.55 115.59 1uph h SER 38 Ca 0.25 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.82 1uph h SER 38 Cb 0.27 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 1uph h SER 38 CO -0.01 0.15 0.24 0.03 -0.53 0.00 0.00 176.83 176.71 1uph h ARG 39 N 0.34 0.84 -0.71 2.24 2.47 -0.59 0.60 114.38 119.57 1uph h ARG 39 Ca 0.18 -0.14 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1uph h ARG 39 Cb 0.14 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.28 1uph h ARG 39 CO -0.16 0.71 0.42 1.49 0.56 0.00 0.00 179.97 182.99 1uph h GLU 40 N 0.78 0.97 0.09 0.04 4.57 -0.44 0.28 114.58 120.86 1uph h GLU 40 Ca 0.19 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1uph h GLU 40 Cb 0.18 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1uph h GLU 40 CO -0.02 0.69 -0.04 -0.07 -1.18 0.00 0.00 179.01 178.39 1uph h LEU 41 N 0.97 -0.11 -1.55 1.64 4.07 -0.10 0.35 115.31 120.58 1uph h LEU 41 Ca 0.25 -0.18 0.13 0.00 0.08 0.00 0.00 57.88 58.16 1uph h LEU 41 Cb -0.02 0.03 -0.05 0.00 1.08 0.00 0.00 40.66 41.70 1uph h LEU 41 CO -0.05 0.12 0.49 -0.33 -1.08 0.00 0.00 178.44 177.59 1uph h GLU 42 N -0.34 0.45 0.00 1.13 5.08 -0.61 0.37 114.58 120.66 1uph h GLU 42 Ca -0.01 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 1uph h GLU 42 Cb 0.28 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1uph h GLU 42 CO 0.02 0.30 -0.62 -0.09 -1.00 0.00 0.00 179.01 177.62 1uph h ARG 43 N 0.46 0.00 -0.49 2.33 9.65 -0.52 -3.11 114.38 122.70 1uph h ARG 43 Ca 0.35 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.23 1uph h ARG 43 Cb 0.73 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.31 1uph h ARG 43 CO -0.12 0.62 0.00 1.19 2.80 0.00 0.00 179.97 184.46 1uph n PHE 44 N -3.25 0.42 -3.33 2.20 3.72 0.12 -4.85 117.46 112.49 1uph n PHE 44 Ca 0.02 -0.17 -0.19 0.00 -0.05 0.00 0.00 57.45 57.06 1uph n PHE 44 Cb 0.78 -0.09 0.06 0.00 -0.94 0.00 0.00 39.48 39.29 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 0.15 -1.00 -2.54 4.37 0.00 -0.81 -5.01 120.51 115.67 1uph n ALA 45 Ca 0.08 0.31 -0.24 0.00 0.00 0.00 0.00 53.44 53.59 1uph n ALA 45 Cb 0.32 -4.35 -0.12 0.00 0.00 0.00 0.00 19.45 15.30 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 -3.24 1.73 0.11 0.00 1.01 0.83 -5.01 120.40 115.82 1uph s VAL 46 Ca 0.45 -1.55 -0.25 0.00 0.00 0.00 0.00 61.98 60.63 1uph s VAL 46 Cb -0.20 -1.57 -0.07 0.00 0.00 0.00 0.00 36.38 34.55 1uph s VAL 46 CO 0.55 -0.06 0.77 0.20 0.00 0.00 0.00 175.10 176.56 1uph s ASN 47 N -1.91 7.30 0.02 3.32 0.01 -1.26 -3.13 114.94 119.28 1uph s ASN 47 Ca 0.07 1.55 -0.19 0.00 -0.71 0.00 0.00 52.86 53.57 1uph s ASN 47 Cb -0.10 -2.48 -0.22 0.00 0.41 0.00 0.00 41.25 38.86 1uph s ASN 47 CO 0.04 0.12 1.14 1.55 -1.51 0.00 0.00 177.10 178.45 1uph h PRO 48 N 4.95 0.45 0.00 -0.60 0.13 -1.93 -3.16 132.00 131.84 1uph h PRO 48 Ca -0.46 -0.44 -0.02 0.00 -0.87 0.00 0.00 66.00 64.22 1uph h PRO 48 Cb 1.21 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1uph h PRO 48 CO 0.68 1.09 -0.08 0.78 -0.23 0.00 0.00 178.00 180.24 1uph h GLY 49 N -0.02 0.00 2.00 1.56 0.00 -1.94 -1.15 103.07 103.52 1uph h GLY 49 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1uph h GLY 49 CO 0.11 0.00 0.00 1.47 0.00 0.00 0.00 176.54 178.12 1uph n LEU 50 N -3.40 0.46 -0.15 3.11 -0.00 -1.19 -0.02 117.00 115.80 1uph n LEU 50 Ca -0.01 0.67 0.15 0.00 -0.00 0.00 0.00 56.01 56.82 1uph n LEU 50 Cb 0.23 -0.68 0.78 0.00 -0.00 0.00 0.00 43.42 43.75 1uph n LEU 50 CO 0.28 -0.71 1.01 0.18 -0.00 0.00 0.00 177.39 178.15 1uph n LEU 51 N -2.07 0.49 0.00 1.47 4.77 -0.43 -3.23 117.00 117.99 1uph n LEU 51 Ca 0.00 -0.13 0.13 0.00 -0.03 0.00 0.00 56.01 55.97 1uph n LEU 51 Cb 0.10 -0.03 0.66 0.00 -2.33 0.00 0.00 43.42 41.82 1uph n LEU 51 CO 0.12 0.08 0.93 1.21 -1.33 0.00 0.00 177.39 178.40 1uph n GLU 52 N -0.66 0.43 -5.00 3.23 2.13 0.96 -4.65 120.64 117.09 1uph n GLU 52 Ca 0.21 0.04 -0.31 0.00 0.66 0.00 0.00 57.16 57.76 1uph n GLU 52 Cb 0.21 -1.50 -0.17 0.00 0.27 0.00 0.00 31.44 30.25 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 1.90 0.55 6.31 -4.23 -1.20 -4.84 115.64 111.65 1uph s THR 53 Ca 0.26 -0.92 0.24 0.00 -1.18 0.00 0.00 61.69 60.10 1uph s THR 53 Cb 0.17 -1.66 0.35 0.00 1.34 0.00 0.00 72.50 72.70 1uph s THR 53 CO 0.38 0.52 2.08 0.77 -0.54 0.00 0.00 174.62 177.83 1uph h SER 54 N 6.89 0.00 -0.04 3.99 4.64 -1.87 -0.42 113.55 126.74 1uph h SER 54 Ca -0.24 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.07 1uph h SER 54 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1uph h SER 54 CO 0.49 0.00 -0.04 -0.33 -0.87 0.00 0.00 176.83 176.07 1uph h GLU 55 N 0.00 0.10 -0.81 4.77 4.39 -1.94 -0.78 114.58 120.30 1uph h GLU 55 Ca 0.12 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1uph h GLU 55 Cb 0.55 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.17 1uph h GLU 55 CO -0.00 0.57 0.47 0.78 -1.16 0.00 0.00 179.01 179.67 1uph h GLY 56 N -0.37 1.20 0.96 -3.84 0.00 -1.42 0.14 103.07 99.74 1uph h GLY 56 Ca 0.01 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 1uph h GLY 56 CO 0.01 0.50 0.15 0.00 0.00 0.00 0.00 176.54 177.20 1uph h ARG 58 N 0.63 1.08 -0.64 0.00 1.12 -0.52 0.17 114.38 116.22 1uph h ARG 58 Ca 0.15 -0.14 -0.08 0.00 -1.11 0.00 0.00 59.98 58.80 1uph h ARG 58 Cb 0.26 -0.21 -0.02 0.00 -0.01 0.00 0.00 29.97 29.99 1uph h ARG 58 CO -0.01 0.82 0.07 0.37 -3.11 0.00 0.00 179.97 178.11 1uph h GLN 59 N 1.08 1.08 -0.09 0.20 4.15 -0.23 -0.06 115.11 121.24 1uph h GLN 59 Ca 0.27 -0.30 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 1uph h GLN 59 Cb 0.08 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.64 1uph h GLN 59 CO -0.04 1.01 -0.04 0.82 -1.93 0.00 0.00 178.83 178.65 1uph h ILE 60 N 1.00 1.32 -0.70 2.39 2.04 -0.45 0.46 117.51 123.57 1uph h ILE 60 Ca 0.19 -1.05 0.08 0.00 1.00 0.00 0.00 64.86 65.08 1uph h ILE 60 Cb 0.48 1.82 -0.06 0.00 -0.74 0.00 0.00 36.82 38.32 1uph h ILE 60 CO 0.02 0.30 0.37 0.25 0.00 0.00 0.00 178.15 179.08 1uph h LEU 61 N -0.17 0.52 -0.62 1.44 6.46 -0.54 0.34 115.31 122.74 1uph h LEU 61 Ca 0.02 0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 57.77 1uph h LEU 61 Cb 0.49 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 1uph h LEU 61 CO 0.01 0.31 -0.27 1.23 -0.62 0.00 0.00 178.44 179.10 1uph h GLY 62 N 0.65 0.00 2.00 3.75 0.00 -0.88 0.46 103.07 109.05 1uph h GLY 62 Ca 0.33 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.61 1uph h GLY 62 CO -0.23 0.00 -0.24 -1.61 0.00 0.00 0.00 176.54 174.46 1uph h GLN 63 N 0.00 0.00 0.00 4.80 5.75 0.23 -3.28 115.11 122.62 1uph h GLN 63 Ca -0.00 0.00 -0.36 0.00 -0.15 0.00 0.00 58.65 58.14 1uph h GLN 63 Cb 0.98 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.46 1uph h GLN 63 CO 0.04 0.24 -2.36 1.28 -2.65 0.00 0.00 178.83 175.38 1uph n LEU 64 N -3.18 0.49 -0.36 -2.39 4.77 0.96 -3.90 117.00 113.38 1uph n LEU 64 Ca 0.03 -0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 1uph n LEU 64 Cb 0.60 0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 41.91 1uph n LEU 64 CO 0.36 0.56 0.45 0.00 -1.33 0.00 0.00 177.39 177.43 1uph n GLN 65 N -2.81 -0.32 0.05 3.23 6.02 0.16 0.59 117.38 124.30 1uph n GLN 65 Ca -0.34 1.33 -0.14 0.00 -0.01 0.00 0.00 57.00 57.84 1uph n GLN 65 Cb 1.11 -1.96 -0.04 0.00 1.02 0.00 0.00 30.24 30.38 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 0.48 0.00 -1.09 0.13 -1.79 -2.97 132.00 126.76 1uph h PRO 66 Ca 0.20 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1uph h PRO 66 Cb 0.42 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1uph h PRO 66 CO -0.84 1.11 0.06 1.03 -0.23 0.00 0.00 178.00 179.13 1uph h SER 67 N 0.29 0.00 0.30 1.44 0.87 -0.43 0.17 113.55 116.19 1uph h SER 67 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1uph h SER 67 Cb 1.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 1uph h SER 67 CO 0.16 0.00 0.00 -0.07 -0.53 0.00 0.00 176.83 176.39 1uph h LEU 68 N 0.00 0.00 0.00 2.23 3.38 0.32 -3.10 115.31 118.14 1uph h LEU 68 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1uph h LEU 68 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1uph h LEU 68 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1uph n GLN 69 N -2.97 0.00 -1.37 1.13 10.64 0.61 -1.57 117.38 123.85 1uph n GLN 69 Ca -0.02 0.59 -0.18 0.00 -1.83 0.00 0.00 57.00 55.56 1uph n GLN 69 Cb 0.14 -0.93 0.11 0.00 -0.86 0.00 0.00 30.24 28.69 1uph n GLN 69 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1uph n THR 70 N -2.16 2.77 -1.30 -0.39 5.66 -1.23 -5.04 114.28 112.59 1uph n THR 70 Ca 0.00 -3.35 -0.29 0.00 -3.05 0.00 0.00 64.05 57.37 1uph n THR 70 Cb 0.00 -0.79 0.17 0.00 -1.55 0.00 0.00 70.33 68.16 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 1.57 0.48 1.09 0.00 -0.61 -5.07 107.32 101.98 1uph s GLY 71 Ca 0.51 -0.50 0.08 0.00 0.00 0.00 0.00 44.72 44.82 1uph s GLY 71 CO 0.01 0.13 0.65 -1.35 0.00 0.00 0.00 173.10 172.54 1uph s SER 72 N -3.72 5.45 0.20 1.64 1.04 -1.26 -4.94 113.70 112.11 1uph s SER 72 Ca 0.65 -0.55 -0.10 0.00 0.48 0.00 0.00 55.95 56.43 1uph s SER 72 Cb -0.16 -0.34 0.13 0.00 0.10 0.00 0.00 66.02 65.75 1uph s SER 72 CO 0.56 -0.98 1.81 -0.08 0.98 0.00 0.00 173.24 175.53 1uph h GLU 73 N 0.46 1.01 -0.26 4.02 4.81 -1.99 -0.19 114.58 122.43 1uph h GLU 73 Ca -0.37 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 58.68 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 0.44 0.76 -0.08 0.93 -0.73 0.00 0.00 179.01 180.33 1uph h GLU 74 N 0.99 0.52 -0.70 1.92 3.07 -1.99 -1.64 114.58 116.75 1uph h GLU 74 Ca 0.25 -0.21 0.06 0.00 -0.50 0.00 0.00 59.36 58.97 1uph h GLU 74 Cb 0.05 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 27.88 1uph h GLU 74 CO -0.04 0.75 0.40 1.25 -1.40 0.00 0.00 179.01 179.96 1uph h LEU 75 N 0.27 0.59 0.09 1.33 6.46 -1.88 0.65 115.31 122.82 1uph h LEU 75 Ca 0.06 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1uph h LEU 75 Cb 0.56 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1uph h LEU 75 CO 0.03 0.37 -0.04 0.03 -0.62 0.00 0.00 178.44 178.21 1uph h ARG 76 N 0.72 -0.12 -0.80 1.25 3.08 -0.88 -0.87 114.38 116.76 1uph h ARG 76 Ca 0.32 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.48 1uph h ARG 76 Cb 0.21 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 1uph h ARG 76 CO -0.19 -0.04 0.52 1.03 -1.07 0.00 0.00 179.97 180.22 1uph h SER 77 N -0.16 0.63 -0.20 7.04 0.87 -0.63 -0.40 113.55 120.69 1uph h SER 77 Ca -0.01 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1uph h SER 77 Cb 0.13 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1uph h SER 77 CO 0.02 0.36 0.06 0.25 -0.53 0.00 0.00 176.83 176.99 1uph h LEU 78 N 0.69 0.30 -1.06 2.23 5.85 -0.28 -1.37 115.31 121.68 1uph h LEU 78 Ca 0.38 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.93 1uph h LEU 78 Cb 0.52 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 1uph h LEU 78 CO -0.15 0.43 0.63 0.22 -0.34 0.00 0.00 178.44 179.24 1uph h TYR 79 N 0.16 1.17 -0.12 1.25 5.03 0.26 0.17 116.97 124.88 1uph h TYR 79 Ca 0.07 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.40 1uph h TYR 79 Cb 0.24 -0.39 -0.01 0.00 1.55 0.00 0.00 36.73 38.13 1uph h TYR 79 CO 0.00 0.65 0.06 -0.97 -1.32 0.00 0.00 178.16 176.58 1uph h ASN 80 N 1.19 0.17 -0.79 -2.11 -0.73 -0.83 0.34 115.58 112.81 1uph h ASN 80 Ca 0.40 -0.13 -0.00 0.00 1.87 0.00 0.00 56.30 58.43 1uph h ASN 80 Cb 0.07 -0.04 -0.04 0.00 0.27 0.00 0.00 38.32 38.58 1uph h ASN 80 CO -0.13 0.25 0.47 0.74 -0.37 0.00 0.00 177.43 178.39 1uph h THR 81 N 0.07 1.22 -0.62 -3.57 2.02 -0.56 -1.14 112.91 110.33 1uph h THR 81 Ca 0.04 -0.49 -0.07 0.00 0.77 0.00 0.00 66.41 66.67 1uph h THR 81 Cb 0.13 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1uph h THR 81 CO -0.00 0.23 0.11 0.40 0.37 0.00 0.00 175.52 176.62 1uph h ILE 82 N 1.08 1.26 -0.23 3.11 1.08 -0.39 -0.48 117.51 122.93 1uph h ILE 82 Ca 0.28 -1.00 0.04 0.00 -0.39 0.00 0.00 64.86 63.79 1uph h ILE 82 Cb -0.04 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.38 1uph h ILE 82 CO -0.05 0.37 0.01 0.00 -0.69 0.00 0.00 178.15 177.79 1uph h ALA 83 N 1.03 0.22 -0.81 1.87 0.00 0.34 0.15 119.26 122.05 1uph h ALA 83 Ca 0.19 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1uph h ALA 83 Cb 0.42 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1uph h ALA 83 CO 0.01 -0.41 0.43 0.28 0.00 0.00 0.00 179.25 179.56 1uph h VAL 84 N 0.09 1.24 -0.49 0.00 2.07 -0.97 -0.94 116.25 117.26 1uph h VAL 84 Ca 0.11 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 67.03 1uph h VAL 84 Cb 0.13 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 1uph h VAL 84 CO -0.17 0.27 0.29 0.25 0.02 0.00 0.00 177.57 178.23 1uph h LEU 85 N 1.14 0.48 -0.52 2.57 5.85 0.15 -0.24 115.31 124.74 1uph h LEU 85 Ca 0.29 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 1uph h LEU 85 Cb 0.05 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1uph h LEU 85 CO -0.04 0.34 0.27 0.22 -0.34 0.00 0.00 178.44 178.88 1uph h TYR 86 N 0.59 0.73 -0.82 1.25 3.20 -0.06 0.91 116.97 122.77 1uph h TYR 86 Ca 0.19 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.08 1uph h TYR 86 Cb 0.01 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.00 1uph h TYR 86 CO -0.06 0.55 0.54 0.00 -1.64 0.00 0.00 178.16 177.54 1uph h VAL 88 N 0.97 1.30 0.00 0.00 2.07 -0.25 0.30 116.25 120.64 1uph h VAL 88 Ca 0.33 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 1uph h VAL 88 Cb 0.10 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1uph h VAL 88 CO -0.11 0.51 -0.05 0.45 0.02 0.00 0.00 177.57 178.40 1uph h HIS 89 N 0.50 0.00 -0.02 1.57 -0.00 0.12 -2.35 115.15 114.98 1uph h HIS 89 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1uph h HIS 89 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.36 1uph h HIS 89 CO 0.04 0.05 -0.17 1.04 -0.00 0.00 0.00 177.93 178.89 1uph n GLN 90 N -3.15 1.83 -3.39 2.45 1.13 0.14 -4.80 117.38 111.60 1uph n GLN 90 Ca 0.01 -1.48 -0.17 0.00 -1.94 0.00 0.00 57.00 53.42 1uph n GLN 90 Cb 0.39 -1.47 0.08 0.00 0.11 0.00 0.00 30.24 29.35 1uph n GLN 90 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1uph n ARG 91 N 0.71 -4.65 -4.31 -1.09 0.63 0.11 -4.99 116.66 103.06 1uph n ARG 91 Ca 0.13 0.82 -0.34 0.00 -0.92 0.00 0.00 57.85 57.54 1uph n ARG 91 Cb 0.53 -5.74 -0.11 0.00 0.45 0.00 0.00 32.46 27.59 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 -3.40 4.17 0.19 5.15 1.01 0.81 -5.02 121.20 124.11 1uph s ILE 92 Ca 0.19 -0.27 -0.32 0.00 0.00 0.00 0.00 60.65 60.25 1uph s ILE 92 Cb -0.03 -2.82 -0.15 0.00 0.01 0.00 0.00 42.46 39.47 1uph s ILE 92 CO 0.75 0.51 1.17 0.47 0.00 0.00 0.00 174.94 177.83 1uph n ASP 93 N 3.24 1.47 -3.80 3.58 9.92 -1.26 -4.66 116.55 125.05 1uph n ASP 93 Ca -0.17 1.15 -0.11 0.00 -0.53 0.00 0.00 54.79 55.12 1uph n ASP 93 Cb 0.53 -1.24 -0.08 0.00 -0.64 0.00 0.00 41.12 39.68 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 -0.27 0.10 0.13 2.53 -7.23 -1.26 -4.94 120.40 109.46 1uph s VAL 94 Ca 0.71 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 60.09 1uph s VAL 94 Cb -0.81 -0.95 0.00 0.00 0.56 0.00 0.00 36.38 35.17 1uph s VAL 94 CO 0.53 -0.44 0.00 2.29 -0.31 0.00 0.00 175.10 177.17 1uph n LYS 95 N 0.57 0.00 -4.42 4.82 0.00 -1.26 -4.94 118.16 112.93 1uph n LYS 95 Ca -0.18 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 57.86 1uph n LYS 95 Cb 0.59 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 35.51 1uph n LYS 95 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1uph s ASP 96 N -4.20 3.43 0.35 -5.58 -4.77 -1.26 -1.38 116.67 103.27 1uph s ASP 96 Ca 0.00 -0.86 0.02 0.00 -3.30 0.00 0.00 52.55 48.41 1uph s ASP 96 Cb 0.00 -0.25 0.64 0.00 -1.09 0.00 0.00 42.92 42.22 1uph s ASP 96 CO 0.00 0.12 2.01 0.74 0.70 0.00 0.00 175.17 178.75 1uph h THR 97 N 3.24 1.16 -0.38 2.11 2.02 -0.41 -0.39 112.91 120.26 1uph h THR 97 Ca -0.47 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.40 1uph h THR 97 Cb 1.21 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1uph h THR 97 CO 0.47 0.15 0.13 0.50 0.37 0.00 0.00 175.52 177.15 1uph h LYS 98 N 0.85 0.59 -0.66 6.66 1.63 -1.83 -1.12 116.57 122.70 1uph h LYS 98 Ca 0.23 -0.12 -0.03 0.00 -0.85 0.00 0.00 60.65 59.88 1uph h LYS 98 Cb -0.10 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.41 1uph h LYS 98 CO -0.05 0.58 0.27 1.49 -3.45 0.00 0.00 179.45 178.30 1uph h GLU 99 N 0.47 0.96 -0.05 1.90 4.81 -1.74 0.17 114.58 121.10 1uph h GLU 99 Ca 0.13 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1uph h GLU 99 Cb 0.23 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1uph h GLU 99 CO -0.01 0.78 0.03 0.00 -0.73 0.00 0.00 179.01 179.08 1uph h ALA 100 N 1.35 0.07 -0.36 2.92 0.00 -0.68 0.41 119.26 122.98 1uph h ALA 100 Ca 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1uph h ALA 100 Cb 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1uph h ALA 100 CO -0.02 -0.40 0.12 -0.07 0.00 0.00 0.00 179.25 178.88 1uph h LEU 101 N 0.01 0.46 -0.58 0.00 -0.00 -0.84 0.19 115.31 114.55 1uph h LEU 101 Ca 0.02 -0.05 -0.14 0.00 -0.00 0.00 0.00 57.88 57.71 1uph h LEU 101 Cb 0.06 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.59 1uph h LEU 101 CO -0.00 0.44 -0.39 -0.78 -0.00 0.00 0.00 178.44 177.70 1uph h ASP 102 N 0.51 0.73 -0.05 -0.43 3.58 -0.22 -0.63 116.42 119.91 1uph h ASP 102 Ca 0.12 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.23 1uph h ASP 102 Cb 0.14 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.99 1uph h ASP 102 CO -0.01 1.04 -0.03 0.11 -2.88 0.00 0.00 179.24 177.48 1uph h LYS 103 N 0.57 0.11 -0.79 0.28 1.79 0.96 0.24 116.57 119.73 1uph h LYS 103 Ca 0.05 -0.05 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 1uph h LYS 103 Cb 0.93 -0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.52 1uph h LYS 103 CO 0.08 0.50 0.48 0.82 -1.08 0.00 0.00 179.45 180.25 1uph h ILE 104 N -0.29 1.02 -0.00 1.86 1.08 -0.62 0.17 117.51 120.73 1uph h ILE 104 Ca 0.01 -0.30 -0.11 0.00 -0.39 0.00 0.00 64.86 64.07 1uph h ILE 104 Cb 0.47 0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 34.27 1uph h ILE 104 CO 0.01 0.16 -0.52 -0.08 -0.69 0.00 0.00 178.15 177.02 1uph h GLU 105 N 0.87 0.01 -0.18 2.37 4.81 -1.00 0.14 114.58 121.59 1uph h GLU 105 Ca 0.35 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.53 1uph h GLU 105 Cb 0.17 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 1uph h GLU 105 CO -0.17 0.53 -0.07 1.49 -0.73 0.00 0.00 179.01 180.05 1uph h GLU 106 N 0.00 0.36 0.06 1.92 4.57 0.15 0.35 114.58 122.00 1uph h GLU 106 Ca -0.00 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1uph h GLU 106 Cb 0.93 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1uph h GLU 106 CO 0.07 0.66 -0.03 1.49 -1.18 0.00 0.00 179.01 180.01 1uph h GLU 107 N 0.05 -0.08 -0.86 1.92 4.81 -0.68 -0.48 114.58 119.27 1uph h GLU 107 Ca 0.04 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.40 1uph h GLU 107 Cb 0.54 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.87 1uph h GLU 107 CO 0.02 0.46 0.56 -0.56 -0.73 0.00 0.00 179.01 178.76 1uph h GLN 108 N -0.68 0.71 -0.15 1.92 -0.00 -0.79 0.32 115.11 116.43 1uph h GLN 108 Ca -0.01 -0.04 -0.10 0.00 -0.00 0.00 0.00 58.65 58.49 1uph h GLN 108 Cb 0.58 -0.16 0.00 0.00 -0.00 0.00 0.00 27.48 27.90 1uph h GLN 108 CO 0.01 0.47 -0.31 -0.97 -0.00 0.00 0.00 178.83 178.03 1uph h ASN 109 N 0.73 0.54 -0.79 0.06 -0.73 -0.90 -1.10 115.58 113.38 1uph h ASN 109 Ca 0.42 -0.56 0.03 0.00 1.87 0.00 0.00 56.30 58.06 1uph h ASN 109 Cb 0.59 -0.16 -0.04 0.00 0.27 0.00 0.00 38.32 38.98 1uph h ASN 109 CO -0.18 1.00 0.52 0.50 -0.37 0.00 0.00 177.43 178.90 1uph h LYS 110 N 0.10 0.96 0.61 6.67 3.64 0.44 0.76 116.57 129.75 1uph h LYS 110 Ca 0.00 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1uph h LYS 110 Cb 0.91 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1uph h LYS 110 CO 0.07 0.63 -0.29 1.03 -2.27 0.00 0.00 179.45 178.62 1uph h SER 111 N 0.99 -0.70 -0.89 4.20 0.87 -0.31 -1.23 113.55 116.48 1uph h SER 111 Ca 0.31 0.00 0.26 0.00 -1.23 0.00 0.00 61.79 61.13 1uph h SER 111 Cb 0.02 0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.12 1uph h SER 111 CO -0.09 -0.31 0.66 0.07 -0.53 0.00 0.00 176.83 176.63 1uph h LYS 112 N -1.18 0.00 0.46 2.24 5.09 -0.96 0.83 116.57 123.06 1uph h LYS 112 Ca -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.63 1uph h LYS 112 Cb 0.65 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.99 1uph h LYS 112 CO 0.14 0.00 -0.22 -0.22 -2.09 0.00 0.00 179.45 177.06 1uph h LYS 113 N 0.00 -0.60 -0.38 0.07 3.64 -0.63 -0.66 116.57 118.02 1uph h LYS 113 Ca 0.42 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.92 1uph h LYS 113 Cb 1.73 0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 33.60 1uph h LYS 113 CO -0.00 -0.31 -0.18 0.87 -2.27 0.00 0.00 179.45 177.55 1uph h LYS 114 N -1.04 -0.11 -0.16 1.90 1.57 0.26 0.20 116.57 119.18 1uph h LYS 114 Ca -0.06 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1uph h LYS 114 Cb 0.57 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 1uph h LYS 114 CO 0.10 -0.08 -0.25 0.00 -0.57 0.00 0.00 179.45 178.66 1uph h ALA 115 N 1.15 -0.22 -0.46 3.86 0.00 -0.97 0.18 119.26 122.81 1uph h ALA 115 Ca 0.19 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.23 1uph h ALA 115 Cb 0.41 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 1uph h ALA 115 CO -0.45 -0.71 -0.08 0.37 0.00 0.00 0.00 179.25 178.38 1uph h GLN 116 N -0.30 0.03 -0.21 0.00 4.15 0.24 0.17 115.11 119.19 1uph h GLN 116 Ca 0.11 -0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.58 1uph h GLN 116 Cb 0.47 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.09 1uph h GLN 116 CO -0.33 0.02 -0.18 0.37 -1.93 0.00 0.00 178.83 176.77 1uph h GLN 117 N 0.03 -0.19 0.31 1.69 4.15 0.43 -1.02 115.11 120.51 1uph h GLN 117 Ca 0.22 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1uph h GLN 117 Cb 0.34 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 1uph h GLN 117 CO -0.44 -0.12 -0.37 0.00 -1.93 0.00 0.00 178.83 175.96 1uph h ALA 118 N 0.91 -0.76 -0.97 3.38 0.00 0.11 0.15 119.26 122.08 1uph h ALA 118 Ca 0.13 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.09 1uph h ALA 118 Cb 0.38 0.55 -0.17 0.00 0.00 0.00 0.00 17.79 18.55 1uph h ALA 118 CO -0.32 -0.97 -0.32 0.00 0.00 0.00 0.00 179.25 177.64 1uph h ALA 119 N -0.26 0.38 0.67 0.00 0.00 -0.19 0.36 119.26 120.22 1uph h ALA 119 Ca -0.02 0.32 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1uph h ALA 119 Cb 0.67 0.88 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1uph h ALA 119 CO -0.10 -0.51 -0.34 0.00 0.00 0.00 0.00 179.25 178.30 1uph h ALA 120 N 1.64 -0.93 -0.95 0.00 0.00 -0.52 0.95 119.26 119.45 1uph h ALA 120 Ca 0.40 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.21 1uph h ALA 120 Cb 0.65 0.39 -0.12 0.00 0.00 0.00 0.00 17.79 18.70 1uph h ALA 120 CO -0.98 -1.03 -0.55 0.22 0.00 0.00 0.00 179.25 176.90 1uph h ASP 121 N -0.93 -2.02 0.52 0.00 1.82 0.24 -0.76 116.42 115.29 1uph h ASP 121 Ca -0.09 0.32 -0.03 0.00 -0.39 0.00 0.00 57.03 56.84 1uph h ASP 121 Cb 0.72 0.91 0.01 0.00 0.68 0.00 0.00 39.33 41.65 1uph h ASP 121 CO 0.13 -0.25 -0.25 0.71 -1.61 0.00 0.00 179.24 177.97 1uph h THR 122 N -0.03 0.46 0.00 2.25 1.35 -0.42 -3.47 112.91 113.05 1uph h THR 122 Ca 0.18 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1uph h THR 122 Cb 0.46 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1uph h THR 122 CO -0.92 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 174.99 1uph n GLY 123 N -1.03 1.33 3.71 5.82 0.00 0.33 -5.10 105.19 110.25 1uph n GLY 123 Ca -0.12 0.44 -0.05 0.00 0.00 0.00 0.00 46.02 46.29 1uph n GLY 123 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1uph s ASN 124 N 0.00 -0.24 0.38 1.61 3.84 -1.22 -4.40 114.94 114.91 1uph s ASN 124 Ca 0.00 -0.34 0.08 0.00 0.21 0.00 0.00 52.86 52.81 1uph s ASN 124 Cb 0.00 0.51 -0.05 0.00 -0.55 0.00 0.00 41.25 41.16 1uph s ASN 124 CO 0.00 -0.91 0.12 0.20 -2.79 0.00 0.00 177.10 173.72 1uph s ASN 125 N -2.85 4.40 0.35 -4.21 -0.87 -1.26 -4.93 114.94 105.57 1uph s ASN 125 Ca 0.10 -1.00 0.05 0.00 -1.57 0.00 0.00 52.86 50.44 1uph s ASN 125 Cb -0.02 -0.54 -0.07 0.00 -0.02 0.00 0.00 41.25 40.60 1uph s ASN 125 CO 0.00 -0.41 0.05 -0.55 -2.57 0.00 0.00 177.10 173.62 1uph s SER 126 N -3.84 2.77 0.18 -1.22 0.15 -1.26 -5.06 113.70 105.43 1uph s SER 126 Ca 0.39 -1.39 0.07 0.00 0.70 0.00 0.00 55.95 55.72 1uph s SER 126 Cb 0.02 -0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.15 1uph s SER 126 CO 0.22 -0.58 -0.14 -1.58 1.20 0.00 0.00 173.24 172.35 1uph s GLN 127 N -3.84 1.24 0.39 5.44 -0.44 -1.26 -5.16 119.66 116.03 1uph s GLN 127 Ca 0.35 -1.50 0.03 0.00 -2.50 0.00 0.00 55.36 51.75 1uph s GLN 127 Cb 0.09 -1.05 -0.03 0.00 -1.64 0.00 0.00 33.01 30.37 1uph s GLN 127 CO 0.16 0.18 0.10 0.14 0.50 0.00 0.00 175.29 176.37 1uph s VAL 128 N -2.78 0.80 -0.17 1.34 -7.23 -1.26 -5.17 120.40 105.93 1uph s VAL 128 Ca 0.19 -2.00 -0.35 0.00 -1.81 0.00 0.00 61.98 58.01 1uph s VAL 128 Cb -0.02 -2.46 0.14 0.00 0.56 0.00 0.00 36.38 34.60 1uph s VAL 128 CO 0.05 0.00 1.20 -0.55 -0.31 0.00 0.00 175.10 175.50 1uph s SER 129 N -3.59 -0.14 -0.05 4.85 0.15 -1.26 -5.19 113.70 108.47 1uph s SER 129 Ca 0.26 -0.01 -0.30 0.00 0.70 0.00 0.00 55.95 56.60 1uph s SER 129 Cb 0.04 0.15 0.11 0.00 -1.71 0.00 0.00 66.02 64.62 1uph s SER 129 CO 0.14 -0.25 0.95 -1.58 1.20 0.00 0.00 173.24 173.70 1uph s GLN 130 N -2.44 0.72 -0.27 5.44 0.74 -1.26 -5.18 119.66 117.40 1uph s GLN 130 Ca 0.09 -0.24 -0.29 0.00 0.05 0.00 0.00 55.36 54.98 1uph s GLN 130 Cb -0.01 0.33 0.18 0.00 1.10 0.00 0.00 33.01 34.62 1uph s GLN 130 CO -0.05 -0.31 1.33 1.21 -0.55 0.00 0.00 175.29 176.92 1uph s ASN 131 N -2.33 -0.08 0.00 6.67 2.47 -1.26 -5.39 114.94 115.02 1uph s ASN 131 Ca 0.05 0.10 0.18 0.00 0.42 0.00 0.00 52.86 53.61 1uph s ASN 131 Cb -0.01 0.08 1.06 0.00 -1.45 0.00 0.00 41.25 40.93 1uph s ASN 131 CO -0.08 -0.07 1.46 0.00 -3.72 0.00 0.00 177.10 174.70