#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 3.21 -3.13 4.61 0.00 -1.26 -5.07 120.51 118.87 1uph n ALA 3 Ca 0.00 -4.02 -0.12 0.00 0.00 0.00 0.00 53.44 49.30 1uph n ALA 3 Cb 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.62 0.91 0.50 0.00 6.06 -1.26 -5.18 118.95 118.37 1uph s ARG 4 Ca 0.36 -0.40 -0.01 0.00 -2.50 0.00 0.00 55.73 53.18 1uph s ARG 4 Cb 0.13 0.40 0.10 0.00 0.06 0.00 0.00 34.95 35.65 1uph s ARG 4 CO -0.08 -0.31 0.69 0.00 -2.50 0.00 0.00 175.30 173.10 1uph n ALA 5 N 0.50 0.05 0.00 6.12 0.00 -1.26 -4.96 120.51 120.95 1uph n ALA 5 Ca -0.18 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 51.94 1uph n ALA 5 Cb 0.60 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.25 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 -2.98 0.00 0.16 0.00 7.64 -1.26 -5.00 113.62 112.18 1uph n SER 6 Ca 0.11 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.86 1uph n SER 6 Cb 0.40 0.00 -0.08 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 0.71 -3.95 0.44 2.07 -1.88 -3.44 116.25 110.21 1uph h VAL 7 Ca 0.00 -0.56 -0.41 0.00 0.82 0.00 0.00 66.70 66.55 1uph h VAL 7 Cb 0.00 1.00 -0.22 0.00 -1.52 0.00 0.00 31.29 30.55 1uph h VAL 7 CO 0.00 0.11 -0.78 -1.48 0.02 0.00 0.00 177.57 175.44 1uph s LEU 8 N -9.55 2.27 0.00 2.57 2.34 -1.26 -4.70 118.68 110.36 1uph s LEU 8 Ca -0.14 -0.61 -0.06 0.00 0.06 0.00 0.00 54.13 53.37 1uph s LEU 8 Cb 0.02 -0.52 0.10 0.00 -0.56 0.00 0.00 46.19 45.24 1uph s LEU 8 CO 0.56 -0.07 0.63 -0.24 -1.06 0.00 0.00 176.35 176.16 1uph n SER 9 N 1.30 0.21 0.17 1.48 2.88 -1.26 -4.71 113.62 113.70 1uph n SER 9 Ca -0.21 -1.33 -0.14 0.00 -1.33 0.00 0.00 58.87 55.86 1uph n SER 9 Cb 0.54 -0.46 -0.07 0.00 -0.75 0.00 0.00 64.21 63.47 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 -0.73 -0.68 0.96 0.46 0.00 -2.01 0.48 103.07 101.55 1uph h GLY 10 Ca -0.20 0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1uph h GLY 10 CO 0.16 -0.26 0.22 -1.33 0.00 0.00 0.00 176.54 175.32 1uph h GLY 11 N -0.62 0.65 1.92 4.60 0.00 -1.99 -0.44 103.07 107.19 1uph h GLY 11 Ca -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1uph h GLY 11 CO -0.10 0.30 0.02 0.83 0.00 0.00 0.00 176.54 177.59 1uph h GLU 12 N 0.55 0.11 -0.12 4.80 5.08 -1.85 -1.05 114.58 122.11 1uph h GLU 12 Ca 0.15 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.31 1uph h GLU 12 Cb 0.09 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.33 1uph h GLU 12 CO -0.02 0.11 -0.68 -0.07 -1.00 0.00 0.00 179.01 177.34 1uph h LEU 13 N 0.11 0.81 -0.44 1.33 3.38 0.70 0.35 115.31 121.55 1uph h LEU 13 Ca 0.03 -0.65 0.03 0.00 0.09 0.00 0.00 57.88 57.38 1uph h LEU 13 Cb 0.05 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1uph h LEU 13 CO -0.00 1.33 0.24 0.44 0.09 0.00 0.00 178.44 180.53 1uph h ASP 14 N 0.35 0.37 -0.17 -0.43 5.19 -0.08 0.39 116.42 122.03 1uph h ASP 14 Ca -0.05 0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.24 1uph h ASP 14 Cb 1.33 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.78 1uph h ASP 14 CO 0.14 0.26 -0.42 0.50 -3.12 0.00 0.00 179.24 176.60 1uph h LYS 15 N 0.48 0.58 -0.23 3.56 3.64 -1.23 -2.72 116.57 120.66 1uph h LYS 15 Ca 0.18 -0.40 0.07 0.00 -1.27 0.00 0.00 60.65 59.23 1uph h LYS 15 Cb 0.06 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1uph h LYS 15 CO -0.11 1.02 0.20 2.35 -2.27 0.00 0.00 179.45 180.64 1uph h TRP 16 N 0.24 0.00 -0.34 1.91 2.91 0.19 0.71 115.95 121.56 1uph h TRP 16 Ca -0.01 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 59.94 1uph h TRP 16 Cb 1.04 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.64 1uph h TRP 16 CO 0.10 0.00 0.09 0.39 -1.03 0.00 0.00 178.44 177.99 1uph n GLU 17 N -4.08 2.59 0.00 2.65 1.02 0.13 -3.26 120.64 119.69 1uph n GLU 17 Ca 0.03 -1.55 0.00 0.00 -0.02 0.00 0.00 57.16 55.62 1uph n GLU 17 Cb 0.34 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 1uph n GLU 17 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1uph n LYS 18 N 0.14 0.92 -3.06 3.49 3.00 0.25 -4.51 118.16 118.38 1uph n LYS 18 Ca 0.18 -0.35 -0.40 0.00 -0.00 0.00 0.00 58.31 57.74 1uph n LYS 18 Cb 0.82 -0.85 -0.05 0.00 0.00 0.00 0.00 35.03 34.95 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 -0.23 5.02 -0.05 3.15 1.01 -1.20 -4.75 121.20 124.14 1uph s ILE 19 Ca 0.00 1.35 -0.15 0.00 0.00 0.00 0.00 60.65 61.85 1uph s ILE 19 Cb 0.00 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 1uph s ILE 19 CO 0.00 0.17 0.40 0.00 0.00 0.00 0.00 174.94 175.50 1uph s ARG 20 N 1.42 4.04 0.15 2.79 1.70 0.67 -1.07 118.95 128.64 1uph s ARG 20 Ca 0.34 0.36 -0.11 0.00 -0.47 0.00 0.00 55.73 55.84 1uph s ARG 20 Cb -0.17 -3.29 0.01 0.00 -0.57 0.00 0.00 34.95 30.93 1uph s ARG 20 CO 0.14 0.52 1.56 -0.07 -1.08 0.00 0.00 175.30 176.37 1uph h LEU 21 N 5.41 0.97 -9.25 -1.89 3.38 -1.17 0.40 115.31 113.15 1uph h LEU 21 Ca -0.48 -0.37 -0.65 0.00 0.09 0.00 0.00 57.88 56.47 1uph h LEU 21 Cb 1.20 -0.26 -0.16 0.00 0.09 0.00 0.00 40.66 41.53 1uph h LEU 21 CO 0.66 1.12 -0.74 -0.13 0.09 0.00 0.00 178.44 179.43 1uph s ARG 22 N -4.77 2.04 0.14 1.13 0.52 -1.26 -4.19 118.95 112.56 1uph s ARG 22 Ca -0.12 -1.14 -0.05 0.00 -0.52 0.00 0.00 55.73 53.90 1uph s ARG 22 Cb 0.12 -2.22 -0.07 0.00 0.52 0.00 0.00 34.95 33.30 1uph s ARG 22 CO 0.85 0.48 1.33 -1.00 0.02 0.00 0.00 175.30 176.98 1uph h PRO 23 N 3.38 0.46 0.00 3.54 0.13 -1.99 -3.23 132.00 134.29 1uph h PRO 23 Ca -0.48 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.20 1uph h PRO 23 Cb 1.18 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1uph h PRO 23 CO 0.52 1.10 -1.03 0.41 -0.23 0.00 0.00 178.00 178.76 1uph n GLY 24 N 0.83 -1.12 0.93 1.56 0.00 -1.26 -4.95 105.19 101.17 1uph n GLY 24 Ca -0.06 -0.47 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 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 1.42 -0.04 2.65 -0.02 0.00 -1.22 -5.06 105.19 102.92 1uph n GLY 25 Ca 0.03 -1.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.53 1.14 -3.51 1.61 4.81 -1.26 -4.79 118.16 114.62 1uph n LYS 26 Ca 0.04 -3.03 -0.42 0.00 -0.87 0.00 0.00 58.31 54.04 1uph n LYS 26 Cb 0.14 -1.08 -0.08 0.00 0.02 0.00 0.00 35.03 34.03 1uph n LYS 26 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1uph s LYS 27 N -2.55 2.58 0.02 1.64 -0.14 -1.26 -5.02 119.74 115.00 1uph s LYS 27 Ca 0.27 -1.73 -0.22 0.00 -1.36 0.00 0.00 55.97 52.93 1uph s LYS 27 Cb 0.44 -3.98 -0.06 0.00 -1.68 0.00 0.00 37.83 32.56 1uph s LYS 27 CO 0.01 -1.20 0.64 1.14 -0.76 0.00 0.00 175.35 175.19 1uph s GLN 28 N 1.41 4.36 0.95 1.68 -2.07 -1.26 -0.58 119.66 124.16 1uph s GLN 28 Ca 0.05 0.83 -0.11 0.00 -1.82 0.00 0.00 55.36 54.31 1uph s GLN 28 Cb -0.27 -3.34 0.12 0.00 -1.09 0.00 0.00 33.01 28.44 1uph s GLN 28 CO 0.00 0.37 0.89 0.66 -1.32 0.00 0.00 175.29 175.90 1uph n TYR 29 N 2.63 -0.02 -3.60 9.60 4.02 -0.24 -4.95 117.16 124.61 1uph n TYR 29 Ca -0.06 0.31 -0.06 0.00 -0.01 0.00 0.00 57.90 58.08 1uph n TYR 29 Cb 0.51 -1.91 0.02 0.00 -0.02 0.00 0.00 39.34 37.94 1uph n TYR 29 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 1uph n LYS 30 N -3.48 0.75 0.30 -0.72 2.85 -1.26 -4.10 118.16 112.50 1uph n LYS 30 Ca 0.10 -1.50 0.20 0.00 -1.05 0.00 0.00 58.31 56.05 1uph n LYS 30 Cb 0.53 1.89 1.04 0.00 -0.65 0.00 0.00 35.03 37.85 1uph n LYS 30 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1uph h LEU 31 N 0.00 0.00 -0.20 -5.58 7.12 -1.96 0.10 115.31 114.79 1uph h LEU 31 Ca -0.23 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 57.71 1uph h LEU 31 Cb 0.88 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.01 1uph h LEU 31 CO 0.30 0.00 -0.13 0.50 -0.13 0.00 0.00 178.44 178.98 1uph h LYS 32 N 0.00 0.44 -0.25 1.25 3.64 -1.98 0.43 116.57 120.10 1uph h LYS 32 Ca 0.00 -0.21 -0.17 0.00 -1.27 0.00 0.00 60.65 59.00 1uph h LYS 32 Cb 0.07 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1uph h LYS 32 CO 0.00 0.75 -0.54 0.45 -2.27 0.00 0.00 179.45 177.84 1uph h HIS 33 N 0.12 0.93 -0.51 1.91 3.86 -1.41 -0.93 115.15 119.12 1uph h HIS 33 Ca 0.04 -0.33 -0.11 0.00 -1.16 0.00 0.00 60.37 58.82 1uph h HIS 33 Cb 0.64 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 1uph h HIS 33 CO 0.07 1.11 -0.11 0.82 0.86 0.00 0.00 177.93 180.69 1uph h ILE 34 N 0.57 1.27 -0.49 2.45 2.04 -1.19 0.17 117.51 122.33 1uph h ILE 34 Ca 0.01 -1.24 -0.07 0.00 1.00 0.00 0.00 64.86 64.56 1uph h ILE 34 Cb 1.12 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 1uph h ILE 34 CO 0.11 0.44 0.02 0.58 0.00 0.00 0.00 178.15 179.30 1uph h VAL 35 N 0.85 1.26 -0.07 1.67 2.07 0.00 0.39 116.25 122.42 1uph h VAL 35 Ca 0.14 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 1uph h VAL 35 Cb 0.65 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1uph h VAL 35 CO 0.05 0.37 0.02 -0.25 0.02 0.00 0.00 177.57 177.77 1uph h TRP 36 N 0.72 0.11 -0.96 1.57 7.01 -0.90 0.14 115.95 123.63 1uph h TRP 36 Ca 0.14 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.16 1uph h TRP 36 Cb 0.48 -0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 27.46 1uph h TRP 36 CO 0.04 0.25 0.63 0.00 -2.79 0.00 0.00 178.44 176.57 1uph h ALA 37 N 0.84 1.26 -0.77 2.65 0.00 -0.48 -0.62 119.26 122.14 1uph h ALA 37 Ca 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 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 0.30 1.03 0.00 0.00 0.00 179.25 181.11 1uph h SER 38 N 1.23 1.05 -0.57 0.00 0.87 0.20 0.16 113.55 116.50 1uph h SER 38 Ca 0.38 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.75 1uph h SER 38 Cb -0.03 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.63 1uph h SER 38 CO -0.11 0.93 0.25 0.03 -0.53 0.00 0.00 176.83 177.40 1uph h ARG 39 N 1.11 0.84 -0.15 2.24 3.08 0.50 0.19 114.38 122.19 1uph h ARG 39 Ca 0.26 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 1uph h ARG 39 Cb 0.21 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1uph h ARG 39 CO -0.02 0.71 -0.04 1.49 -1.07 0.00 0.00 179.97 181.04 1uph h GLU 40 N 0.78 0.30 -0.36 0.04 4.81 -0.74 0.11 114.58 119.52 1uph h GLU 40 Ca 0.19 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1uph h GLU 40 Cb 0.17 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1uph h GLU 40 CO -0.02 0.58 0.17 -0.07 -0.73 0.00 0.00 179.01 178.94 1uph h LEU 41 N -0.00 0.23 -1.28 1.64 3.38 -0.53 0.48 115.31 119.23 1uph h LEU 41 Ca 0.04 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1uph h LEU 41 Cb 0.47 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1uph h LEU 41 CO 0.02 0.17 -0.13 -0.08 0.09 0.00 0.00 178.44 178.51 1uph h GLU 42 N 0.34 0.33 0.00 1.13 4.22 -0.55 -1.12 114.58 118.94 1uph h GLU 42 Ca 0.16 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.51 1uph h GLU 42 Cb 0.08 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1uph h GLU 42 CO -0.12 0.47 0.00 -0.09 -2.18 0.00 0.00 179.01 177.09 1uph h ARG 43 N 0.31 0.00 -0.00 1.92 2.43 0.54 -2.82 114.38 116.76 1uph h ARG 43 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1uph h ARG 43 Cb 0.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1uph h ARG 43 CO 0.02 0.00 -0.19 1.19 -1.51 0.00 0.00 179.97 179.48 1uph n PHE 44 N -3.09 0.00 -2.00 2.20 3.72 0.15 -4.91 117.46 113.54 1uph n PHE 44 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1uph n PHE 44 Cb 0.45 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 1uph n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1uph n ALA 45 N -1.34 0.00 -2.52 4.37 0.00 -1.03 -5.07 120.51 114.92 1uph n ALA 45 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.28 1uph n ALA 45 Cb 0.32 -0.41 -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 -2.70 1.67 0.04 0.00 0.11 -0.61 -5.04 120.40 113.87 1uph s VAL 46 Ca 0.00 -1.38 -0.30 0.00 -2.93 0.00 0.00 61.98 57.36 1uph s VAL 46 Cb 0.00 -1.49 -0.05 0.00 -1.53 0.00 0.00 36.38 33.31 1uph s VAL 46 CO 0.00 0.05 1.13 0.21 -3.33 0.00 0.00 175.10 173.16 1uph s ASN 47 N -1.58 7.17 0.04 3.54 3.84 -1.26 -3.88 114.94 122.81 1uph s ASN 47 Ca 0.07 1.90 -0.17 0.00 0.21 0.00 0.00 52.86 54.87 1uph s ASN 47 Cb -0.09 -2.58 -0.21 0.00 -0.55 0.00 0.00 41.25 37.82 1uph s ASN 47 CO 0.03 -0.41 1.18 1.55 -2.79 0.00 0.00 177.10 176.66 1uph h PRO 48 N 6.81 0.57 -0.77 0.43 0.13 -1.92 -2.92 132.00 134.33 1uph h PRO 48 Ca -0.41 -0.55 -0.00 0.00 -0.87 0.00 0.00 66.00 64.16 1uph h PRO 48 Cb 1.21 0.14 -0.04 0.00 0.13 0.00 0.00 31.00 32.45 1uph h PRO 48 CO 0.79 1.17 0.46 0.78 -0.23 0.00 0.00 178.00 180.98 1uph h GLY 49 N 0.16 1.11 2.00 1.56 0.00 -1.96 0.39 103.07 106.34 1uph h GLY 49 Ca -0.08 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1uph h GLY 49 CO 0.14 0.45 0.00 1.47 0.00 0.00 0.00 176.54 178.60 1uph n LEU 50 N -4.49 0.28 -0.23 3.11 -0.00 -1.23 -1.25 117.00 113.18 1uph n LEU 50 Ca 0.07 0.57 0.15 0.00 -0.00 0.00 0.00 56.01 56.80 1uph n LEU 50 Cb 0.06 -0.52 0.70 0.00 -0.00 0.00 0.00 43.42 43.65 1uph n LEU 50 CO 0.37 -0.36 0.96 -0.11 -0.00 0.00 0.00 177.39 178.25 1uph n LEU 51 N -1.80 0.74 0.23 1.47 7.94 0.12 -3.33 117.00 122.38 1uph n LEU 51 Ca 0.03 -0.22 0.13 0.00 -1.11 0.00 0.00 56.01 54.84 1uph n LEU 51 Cb 0.21 -0.03 0.33 0.00 0.53 0.00 0.00 43.42 44.46 1uph n LEU 51 CO 0.17 0.13 0.85 1.05 -1.11 0.00 0.00 177.39 178.47 1uph h GLU 52 N 1.13 0.00 -6.41 1.96 4.11 -1.12 -3.37 114.58 110.89 1uph h GLU 52 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.89 1uph h GLU 52 Cb 0.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1uph h GLU 52 CO 0.00 0.03 -0.04 0.95 0.07 0.00 0.00 179.01 180.03 1uph s THR 53 N -3.36 4.79 0.49 -1.06 -4.23 -1.21 -4.87 115.64 106.20 1uph s THR 53 Ca 0.05 0.90 0.18 0.00 -1.18 0.00 0.00 61.69 61.64 1uph s THR 53 Cb 0.07 -3.74 0.34 0.00 1.34 0.00 0.00 72.50 70.50 1uph s THR 53 CO 0.63 0.18 2.03 0.77 -0.54 0.00 0.00 174.62 177.70 1uph h SER 54 N 3.37 0.14 -0.04 3.99 4.64 -1.89 -1.02 113.55 122.74 1uph h SER 54 Ca -0.48 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 1uph h SER 54 Cb 1.19 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1uph h SER 54 CO 0.66 0.09 -0.03 -0.08 -0.87 0.00 0.00 176.83 176.60 1uph h GLU 55 N 0.16 0.09 -0.60 4.77 4.57 -1.92 -0.56 114.58 121.09 1uph h GLU 55 Ca 0.20 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.39 1uph h GLU 55 Cb 0.57 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.11 1uph h GLU 55 CO -0.03 0.50 0.32 0.78 -1.18 0.00 0.00 179.01 179.40 1uph h GLY 56 N -0.32 0.86 1.02 1.92 0.00 -1.40 0.23 103.07 105.37 1uph h GLY 56 Ca 0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 1uph h GLY 56 CO 0.01 0.13 0.21 0.00 0.00 0.00 0.00 176.54 176.89 1uph h ARG 58 N 0.93 0.95 0.04 0.00 1.12 0.08 0.12 114.38 117.62 1uph h ARG 58 Ca 0.21 -0.09 -0.00 0.00 -1.11 0.00 0.00 59.98 58.98 1uph h ARG 58 Cb 0.29 -0.19 0.00 0.00 -0.01 0.00 0.00 29.97 30.05 1uph h ARG 58 CO -0.01 0.69 -0.02 1.96 -3.11 0.00 0.00 179.97 179.48 1uph h GLN 59 N 0.96 -0.05 -0.41 0.20 4.20 0.05 -0.49 115.11 119.57 1uph h GLN 59 Ca 0.25 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.98 1uph h GLN 59 Cb 0.00 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1uph h GLN 59 CO -0.04 0.22 0.24 0.82 -0.67 0.00 0.00 178.83 179.40 1uph h ILE 60 N -0.32 1.04 -0.77 2.54 2.04 -0.89 0.36 117.51 121.51 1uph h ILE 60 Ca -0.01 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 65.77 1uph h ILE 60 Cb 0.29 0.51 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 1uph h ILE 60 CO 0.01 0.09 0.43 -0.07 0.00 0.00 0.00 178.15 178.61 1uph h LEU 61 N 0.48 0.63 -1.02 1.44 3.38 -0.66 0.16 115.31 119.72 1uph h LEU 61 Ca 0.16 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1uph h LEU 61 Cb 0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1uph h LEU 61 CO -0.08 0.38 -0.24 1.23 0.09 0.00 0.00 178.44 179.82 1uph h GLY 62 N 0.76 0.00 1.08 0.83 0.00 -0.12 0.43 103.07 106.05 1uph h GLY 62 Ca 0.36 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.52 1uph h GLY 62 CO -0.22 0.00 -0.51 -1.61 0.00 0.00 0.00 176.54 174.20 1uph h GLN 63 N 0.00 0.79 0.00 4.80 4.15 0.24 -3.11 115.11 121.97 1uph h GLN 63 Ca -0.00 -0.51 0.00 0.00 0.77 0.00 0.00 58.65 58.90 1uph h GLN 63 Cb 0.79 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.55 1uph h GLN 63 CO 0.03 1.14 -0.83 1.28 -1.93 0.00 0.00 178.83 178.52 1uph n LEU 64 N -4.09 0.73 -0.37 -2.39 4.77 -0.23 -4.12 117.00 111.30 1uph n LEU 64 Ca -0.05 0.22 -0.03 0.00 -0.03 0.00 0.00 56.01 56.11 1uph n LEU 64 Cb 0.60 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1uph n LEU 64 CO 0.49 -0.08 0.53 0.00 -1.33 0.00 0.00 177.39 177.00 1uph n GLN 65 N -2.27 -0.26 0.02 3.23 6.02 0.15 0.65 117.38 124.92 1uph n GLN 65 Ca 0.02 1.43 -0.19 0.00 -0.01 0.00 0.00 57.00 58.26 1uph n GLN 65 Cb 0.48 -2.13 -0.09 0.00 1.02 0.00 0.00 30.24 29.52 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 0.72 0.00 -1.09 0.13 -1.74 -3.01 132.00 127.01 1uph h PRO 66 Ca 0.29 -0.70 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1uph h PRO 66 Cb 0.52 0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1uph h PRO 66 CO -0.92 1.29 0.13 0.77 -0.23 0.00 0.00 178.00 179.04 1uph h SER 67 N 0.44 0.00 -0.18 1.44 0.02 -0.75 0.23 113.55 114.76 1uph h SER 67 Ca -0.10 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.63 1uph h SER 67 Cb 1.58 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.13 1uph h SER 67 CO 0.19 0.00 -0.74 -0.07 -1.14 0.00 0.00 176.83 175.06 1uph h LEU 68 N 0.00 0.96 -0.85 5.07 3.38 0.36 0.68 115.31 124.91 1uph h LEU 68 Ca 0.00 -0.61 0.34 0.00 0.09 0.00 0.00 57.88 57.70 1uph h LEU 68 Cb 0.27 -0.28 -0.15 0.00 0.09 0.00 0.00 40.66 40.58 1uph h LEU 68 CO 0.00 1.41 0.40 1.67 0.09 0.00 0.00 178.44 182.01 1uph n GLN 69 N -3.95 -0.05 -2.73 1.13 7.27 0.81 -1.44 117.38 118.42 1uph n GLN 69 Ca -0.07 1.18 -0.01 0.00 0.07 0.00 0.00 57.00 58.17 1uph n GLN 69 Cb 0.73 -2.08 0.07 0.00 2.41 0.00 0.00 30.24 31.36 1uph n GLN 69 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 1uph n THR 70 N -4.95 0.86 -1.97 1.69 5.66 -1.20 -5.12 114.28 109.25 1uph n THR 70 Ca 0.31 -2.29 -0.29 0.00 -3.05 0.00 0.00 64.05 58.73 1uph n THR 70 Cb 1.03 1.20 0.12 0.00 -1.55 0.00 0.00 70.33 71.13 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 -2.97 1.67 0.69 1.09 0.00 0.24 -5.06 107.32 102.98 1uph s GLY 71 Ca 0.22 -0.89 -0.05 0.00 0.00 0.00 0.00 44.72 44.00 1uph s GLY 71 CO -0.07 -0.32 0.99 -1.35 0.00 0.00 0.00 173.10 172.35 1uph s SER 72 N -4.67 4.75 0.17 1.64 1.04 -1.26 -4.85 113.70 110.52 1uph s SER 72 Ca 0.65 0.29 -0.14 0.00 0.48 0.00 0.00 55.95 57.24 1uph s SER 72 Cb -0.09 -0.92 0.06 0.00 0.10 0.00 0.00 66.02 65.17 1uph s SER 72 CO 0.49 -1.61 1.80 1.05 0.98 0.00 0.00 173.24 175.95 1uph h GLU 73 N -0.54 0.72 -0.44 4.02 4.11 -1.98 0.28 114.58 120.74 1uph h GLU 73 Ca -0.43 -0.07 -0.10 0.00 0.07 0.00 0.00 59.36 58.82 1uph h GLU 73 Cb 1.30 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1uph h GLU 73 CO 0.56 0.53 -0.13 1.05 0.07 0.00 0.00 179.01 181.09 1uph h GLU 74 N 0.71 0.87 -0.70 1.06 4.11 -1.99 -1.39 114.58 117.25 1uph h GLU 74 Ca 0.19 -0.34 -0.02 0.00 0.07 0.00 0.00 59.36 59.25 1uph h GLU 74 Cb 0.00 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1uph h GLU 74 CO -0.03 0.98 0.34 1.25 0.07 0.00 0.00 179.01 181.62 1uph h LEU 75 N 0.70 0.90 -0.11 3.06 6.46 -1.85 -0.53 115.31 123.95 1uph h LEU 75 Ca 0.11 -0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1uph h LEU 75 Cb 0.68 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 1uph h LEU 75 CO 0.05 0.78 0.06 0.03 -0.62 0.00 0.00 178.44 178.74 1uph h ARG 76 N 0.97 0.15 -0.95 1.25 3.08 -0.27 -0.94 114.38 117.67 1uph h ARG 76 Ca 0.24 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.33 1uph h ARG 76 Cb 0.11 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 1uph h ARG 76 CO -0.03 0.17 0.61 0.77 -1.07 0.00 0.00 179.97 180.41 1uph h SER 77 N 0.09 0.97 -0.27 7.04 0.02 -0.94 -0.70 113.55 119.75 1uph h SER 77 Ca 0.04 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1uph h SER 77 Cb 0.06 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1uph h SER 77 CO -0.01 0.63 0.18 0.25 -1.14 0.00 0.00 176.83 176.74 1uph h LEU 78 N 1.12 0.32 -0.73 5.07 7.12 -0.65 -0.91 115.31 126.65 1uph h LEU 78 Ca 0.40 -0.02 0.05 0.00 0.13 0.00 0.00 57.88 58.45 1uph h LEU 78 Cb 0.14 -0.08 -0.05 0.00 -0.53 0.00 0.00 40.66 40.14 1uph h LEU 78 CO -0.16 0.24 0.44 0.22 -0.13 0.00 0.00 178.44 179.04 1uph h TYR 79 N 0.37 0.81 -0.69 1.25 3.20 -0.18 -0.39 116.97 121.34 1uph h TYR 79 Ca 0.10 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1uph h TYR 79 Cb -0.03 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 37.95 1uph h TYR 79 CO -0.06 0.42 0.45 -0.91 -1.64 0.00 0.00 178.16 176.42 1uph h ASN 80 N 0.82 0.80 -0.75 -2.11 2.35 -0.67 -0.91 115.58 115.11 1uph h ASN 80 Ca 0.31 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1uph h ASN 80 Cb 0.13 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 1uph h ASN 80 CO -0.15 0.59 0.46 0.74 -1.65 0.00 0.00 177.43 177.42 1uph h THR 81 N 0.94 1.21 -0.46 2.81 2.02 -0.17 -1.09 112.91 118.16 1uph h THR 81 Ca 0.25 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1uph h THR 81 Cb -0.09 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.46 1uph h THR 81 CO -0.05 0.22 0.31 0.40 0.37 0.00 0.00 175.52 176.76 1uph h ILE 82 N 1.03 1.12 -0.35 3.11 1.08 -0.40 0.18 117.51 123.28 1uph h ILE 82 Ca 0.27 -0.22 0.04 0.00 -0.39 0.00 0.00 64.86 64.56 1uph h ILE 82 Cb -0.04 0.44 -0.04 0.00 -3.07 0.00 0.00 36.82 34.11 1uph h ILE 82 CO -0.05 0.11 0.12 0.00 -0.69 0.00 0.00 178.15 177.65 1uph h ALA 83 N 1.17 0.40 -0.70 1.87 0.00 -0.63 0.29 119.26 121.67 1uph h ALA 83 Ca 0.17 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1uph h ALA 83 Cb -0.07 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1uph h ALA 83 CO -0.04 -0.27 0.46 0.28 0.00 0.00 0.00 179.25 179.68 1uph h VAL 84 N 0.27 1.17 -0.56 0.00 2.07 -0.65 0.03 116.25 118.58 1uph h VAL 84 Ca 0.16 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.37 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 -0.16 0.17 0.36 0.25 0.02 0.00 0.00 177.57 178.22 1uph h LEU 85 N 0.94 0.62 -1.22 2.57 5.85 0.40 -0.72 115.31 123.75 1uph h LEU 85 Ca 0.26 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1uph h LEU 85 Cb -0.10 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1uph h LEU 85 CO -0.06 0.44 0.26 0.22 -0.34 0.00 0.00 178.44 178.97 1uph h TYR 86 N 0.74 0.80 -0.46 1.25 5.03 0.32 0.11 116.97 124.76 1uph h TYR 86 Ca 0.21 -0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.46 1uph h TYR 86 Cb -0.05 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 37.96 1uph h TYR 86 CO -0.04 0.59 0.13 0.00 -1.32 0.00 0.00 178.16 177.52 1uph h VAL 88 N 0.60 1.23 0.02 0.00 2.07 -0.44 1.14 116.25 120.88 1uph h VAL 88 Ca 0.15 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 1uph h VAL 88 Cb 0.29 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1uph h VAL 88 CO -0.00 0.34 -0.01 0.45 0.02 0.00 0.00 177.57 178.37 1uph h HIS 89 N 0.29 -0.02 -0.16 1.57 -0.00 -0.09 -2.04 115.15 114.70 1uph h HIS 89 Ca 0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 1uph h HIS 89 Cb 0.55 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.96 1uph h HIS 89 CO 0.01 0.10 0.00 1.04 -0.00 0.00 0.00 177.93 179.09 1uph n GLN 90 N -5.04 1.55 -3.72 2.45 1.13 -0.41 -4.86 117.38 108.48 1uph n GLN 90 Ca -0.08 -0.84 -0.23 0.00 -1.94 0.00 0.00 57.00 53.92 1uph n GLN 90 Cb 0.09 -1.32 0.03 0.00 0.11 0.00 0.00 30.24 29.15 1uph n GLN 90 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1uph n ARG 91 N 0.09 -3.97 -3.20 -1.09 1.74 0.13 -4.93 116.66 105.43 1uph n ARG 91 Ca 0.14 0.57 -0.39 0.00 -0.77 0.00 0.00 57.85 57.40 1uph n ARG 91 Cb 0.25 -4.94 -0.05 0.00 -1.02 0.00 0.00 32.46 26.69 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 -3.68 5.13 -0.65 0.55 1.01 0.35 -4.94 121.20 118.97 1uph s ILE 92 Ca 0.09 1.16 -0.40 0.00 0.00 0.00 0.00 60.65 61.50 1uph s ILE 92 Cb -0.03 -3.91 -0.20 0.00 0.01 0.00 0.00 42.46 38.34 1uph s ILE 92 CO 0.83 0.29 2.32 0.47 0.00 0.00 0.00 174.94 178.84 1uph n ASP 93 N 3.79 0.66 -4.58 3.58 9.92 -1.26 -4.67 116.55 123.99 1uph n ASP 93 Ca -0.04 0.51 -0.27 0.00 -0.53 0.00 0.00 54.79 54.46 1uph n ASP 93 Cb 0.51 -0.92 -0.10 0.00 -0.64 0.00 0.00 41.12 39.97 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 7.00 1.64 0.00 2.53 -7.23 -1.26 -4.86 120.40 118.22 1uph s VAL 94 Ca 1.24 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.41 1uph s VAL 94 Cb -1.40 -2.82 0.00 0.00 0.56 0.00 0.00 36.38 32.72 1uph s VAL 94 CO 0.60 0.00 0.00 1.17 -0.31 0.00 0.00 175.10 176.56 1uph n LYS 95 N -0.93 0.00 -4.20 4.82 4.81 -1.26 -4.98 118.16 116.42 1uph n LYS 95 Ca -0.06 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.26 1uph n LYS 95 Cb 0.67 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.62 1uph n LYS 95 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1uph s ASP 96 N -1.02 1.35 0.37 3.14 -4.77 -1.26 -0.24 116.67 114.23 1uph s ASP 96 Ca 0.00 -1.01 0.16 0.00 -3.30 0.00 0.00 52.55 48.40 1uph s ASP 96 Cb 0.00 0.06 0.72 0.00 -1.09 0.00 0.00 42.92 42.61 1uph s ASP 96 CO 0.00 -0.42 1.78 0.74 0.70 0.00 0.00 175.17 177.97 1uph h THR 97 N 2.91 1.09 -0.19 2.11 2.02 -0.35 -0.82 112.91 119.67 1uph h THR 97 Ca -0.36 -1.44 -0.08 0.00 0.77 0.00 0.00 66.41 65.30 1uph h THR 97 Cb 1.17 1.82 -0.00 0.00 -1.74 0.00 0.00 68.15 69.40 1uph h THR 97 CO 0.64 0.38 -0.20 0.50 0.37 0.00 0.00 175.52 177.22 1uph h LYS 98 N 0.00 0.48 -0.13 6.66 1.63 -1.81 -1.03 116.57 122.36 1uph h LYS 98 Ca -0.00 -0.25 -0.02 0.00 -0.85 0.00 0.00 60.65 59.52 1uph h LYS 98 Cb 0.79 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.42 1uph h LYS 98 CO 0.05 0.83 -0.01 0.93 -3.45 0.00 0.00 179.45 177.80 1uph h GLU 99 N 0.14 0.24 -0.43 1.90 4.39 -1.91 0.18 114.58 119.09 1uph h GLU 99 Ca 0.03 -0.08 0.07 0.00 0.34 0.00 0.00 59.36 59.71 1uph h GLU 99 Cb 0.74 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.32 1uph h GLU 99 CO 0.05 0.49 0.10 0.00 -1.16 0.00 0.00 179.01 178.49 1uph h ALA 100 N 0.73 0.48 -0.07 3.43 0.00 -1.17 0.45 119.26 123.12 1uph h ALA 100 Ca 0.04 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1uph h ALA 100 Cb 0.39 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1uph h ALA 100 CO 0.01 -0.30 -0.30 -0.07 0.00 0.00 0.00 179.25 178.59 1uph h LEU 101 N 0.24 0.13 -0.49 0.00 3.38 -1.08 -0.89 115.31 116.60 1uph h LEU 101 Ca 0.21 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 1uph h LEU 101 Cb 0.25 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1uph h LEU 101 CO -0.26 0.43 -0.06 -0.78 0.09 0.00 0.00 178.44 177.85 1uph h ASP 102 N 0.11 0.91 -0.06 -0.43 1.82 0.19 0.38 116.42 119.35 1uph h ASP 102 Ca 0.02 -0.34 -0.01 0.00 -0.39 0.00 0.00 57.03 56.31 1uph h ASP 102 Cb 0.59 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 40.35 1uph h ASP 102 CO 0.04 1.03 0.00 0.11 -1.61 0.00 0.00 179.24 178.82 1uph h LYS 103 N 0.77 0.11 -0.52 0.28 6.56 0.26 0.39 116.57 124.41 1uph h LYS 103 Ca 0.13 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.67 1uph h LYS 103 Cb 0.60 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.23 1uph h LYS 103 CO 0.04 0.37 0.24 0.82 -2.06 0.00 0.00 179.45 178.85 1uph h ILE 104 N -0.17 1.18 -0.00 1.86 1.08 -1.08 -0.70 117.51 119.67 1uph h ILE 104 Ca 0.02 -0.52 -0.14 0.00 -0.39 0.00 0.00 64.86 63.83 1uph h ILE 104 Cb 0.32 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.58 1uph h ILE 104 CO 0.00 0.21 -0.64 -0.08 -0.69 0.00 0.00 178.15 176.95 1uph h GLU 105 N 0.74 0.01 -0.17 2.37 4.81 0.07 0.79 114.58 123.19 1uph h GLU 105 Ca 0.18 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1uph h GLU 105 Cb 0.10 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 1uph h GLU 105 CO -0.02 0.65 -0.12 1.49 -0.73 0.00 0.00 179.01 180.28 1uph h GLU 106 N 0.01 0.38 0.02 1.92 4.57 0.10 0.26 114.58 121.83 1uph h GLU 106 Ca -0.01 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1uph h GLU 106 Cb 1.14 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1uph h GLU 106 CO 0.08 0.71 -0.01 1.49 -1.18 0.00 0.00 179.01 180.11 1uph h GLU 107 N 0.04 -0.02 -0.86 1.92 4.57 -1.16 -0.75 114.58 118.32 1uph h GLU 107 Ca 0.03 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.31 1uph h GLU 107 Cb 0.62 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.16 1uph h GLU 107 CO 0.03 0.56 0.56 -0.56 -1.18 0.00 0.00 179.01 178.42 1uph h GLN 108 N -0.62 0.83 -0.19 1.92 -0.00 -0.91 0.30 115.11 116.45 1uph h GLN 108 Ca -0.00 -0.05 -0.08 0.00 -0.00 0.00 0.00 58.65 58.52 1uph h GLN 108 Cb 0.59 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.48 27.88 1uph h GLN 108 CO 0.00 0.55 -0.21 -0.97 -0.00 0.00 0.00 178.83 178.20 1uph h ASN 109 N 0.85 0.50 -0.98 0.06 -1.24 -0.92 -1.40 115.58 112.45 1uph h ASN 109 Ca 0.40 -0.49 0.03 0.00 0.71 0.00 0.00 56.30 56.95 1uph h ASN 109 Cb 0.40 -0.14 -0.06 0.00 0.73 0.00 0.00 38.32 39.25 1uph h ASN 109 CO -0.16 0.89 0.64 0.11 -1.29 0.00 0.00 177.43 177.62 1uph h LYS 110 N 0.13 1.22 0.54 6.67 1.57 0.09 0.13 116.57 126.91 1uph h LYS 110 Ca 0.03 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1uph h LYS 110 Cb 0.76 -0.27 0.01 0.00 0.08 0.00 0.00 32.23 32.80 1uph h LYS 110 CO 0.05 0.81 -0.26 0.77 -0.57 0.00 0.00 179.45 180.25 1uph h SER 111 N 1.25 -0.62 -0.24 0.86 0.02 -0.33 0.34 113.55 114.84 1uph h SER 111 Ca 0.39 -0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.36 1uph h SER 111 Cb -0.02 0.16 -0.07 0.00 0.14 0.00 0.00 62.40 62.61 1uph h SER 111 CO -0.12 -0.34 -0.23 0.50 -1.14 0.00 0.00 176.83 175.50 1uph h LYS 112 N -0.87 -0.23 -0.36 3.45 3.64 -0.92 0.14 116.57 121.42 1uph h LYS 112 Ca -0.07 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1uph h LYS 112 Cb 0.61 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.40 1uph h LYS 112 CO 0.12 -0.15 -0.19 0.87 -2.27 0.00 0.00 179.45 177.83 1uph h LYS 113 N -0.24 -0.13 -0.25 1.90 1.57 -0.68 0.20 116.57 118.94 1uph h LYS 113 Ca 0.14 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.99 1uph h LYS 113 Cb 0.44 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.71 1uph h LYS 113 CO -0.37 -0.09 -0.23 0.87 -0.57 0.00 0.00 179.45 179.06 1uph h LYS 114 N -0.14 -0.22 -0.25 3.15 1.57 0.36 0.20 116.57 121.25 1uph h LYS 114 Ca 0.18 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.04 1uph h LYS 114 Cb 0.41 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.70 1uph h LYS 114 CO -0.44 -0.14 -0.23 0.00 -0.57 0.00 0.00 179.45 178.07 1uph h ALA 115 N 0.86 -0.10 -0.40 3.86 0.00 0.65 0.25 119.26 124.38 1uph h ALA 115 Ca 0.14 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.21 1uph h ALA 115 Cb 0.44 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 1uph h ALA 115 CO -0.39 -0.65 -0.12 1.96 0.00 0.00 0.00 179.25 180.06 1uph h GLN 116 N -0.23 -0.02 -0.25 0.00 4.20 0.52 0.17 115.11 119.49 1uph h GLN 116 Ca 0.14 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.91 1uph h GLN 116 Cb 0.44 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.16 1uph h GLN 116 CO -0.38 -0.02 -0.17 0.37 -0.67 0.00 0.00 178.83 177.96 1uph h GLN 117 N -0.03 -0.15 0.34 1.46 4.15 0.55 -1.04 115.11 120.38 1uph h GLN 117 Ca 0.19 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.62 1uph h GLN 117 Cb 0.32 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 1uph h GLN 117 CO -0.42 -0.10 -0.38 0.00 -1.93 0.00 0.00 178.83 175.99 1uph h ALA 118 N 0.99 -0.80 -0.97 3.38 0.00 0.04 0.12 119.26 122.02 1uph h ALA 118 Ca 0.14 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 55.11 1uph h ALA 118 Cb 0.37 0.56 -0.18 0.00 0.00 0.00 0.00 17.79 18.54 1uph h ALA 118 CO -0.35 -0.99 -0.29 0.00 0.00 0.00 0.00 179.25 177.63 1uph h ALA 119 N -0.32 0.49 0.81 0.00 0.00 -0.16 0.34 119.26 120.42 1uph h ALA 119 Ca -0.02 0.35 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1uph h ALA 119 Cb 0.69 0.82 0.01 0.00 0.00 0.00 0.00 17.79 19.30 1uph h ALA 119 CO -0.09 -0.46 -0.40 0.00 0.00 0.00 0.00 179.25 178.30 1uph h ALA 120 N 1.78 -1.11 -0.95 0.00 0.00 -0.49 1.19 119.26 119.69 1uph h ALA 120 Ca 0.43 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1uph h ALA 120 Cb 0.67 0.44 -0.12 0.00 0.00 0.00 0.00 17.79 18.79 1uph h ALA 120 CO -0.99 -1.12 -0.57 0.22 0.00 0.00 0.00 179.25 176.79 1uph h ASP 121 N -1.10 -2.08 0.53 0.00 3.58 0.22 -0.86 116.42 116.72 1uph h ASP 121 Ca -0.11 0.32 -0.03 0.00 0.42 0.00 0.00 57.03 57.64 1uph h ASP 121 Cb 0.85 0.92 0.01 0.00 1.72 0.00 0.00 39.33 42.83 1uph h ASP 121 CO 0.17 -0.25 -0.26 0.71 -2.88 0.00 0.00 179.24 176.74 1uph h THR 122 N -0.03 0.44 0.00 2.25 1.35 -0.41 -3.50 112.91 113.01 1uph h THR 122 Ca 0.17 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1uph h THR 122 Cb 0.44 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 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 -1.06 -0.39 3.70 5.82 0.00 0.41 -5.09 105.19 108.58 1uph n GLY 123 Ca -0.12 -1.68 -0.07 0.00 0.00 0.00 0.00 46.02 44.15 1uph n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uph s ASN 124 N -2.31 -0.29 0.08 1.61 -0.87 -1.26 -4.97 114.94 106.92 1uph s ASN 124 Ca 0.00 -0.35 -0.27 0.00 -1.57 0.00 0.00 52.86 50.67 1uph s ASN 124 Cb 0.00 0.57 0.08 0.00 -0.02 0.00 0.00 41.25 41.89 1uph s ASN 124 CO 0.00 -1.02 1.01 0.20 -2.57 0.00 0.00 177.10 174.71 1uph s ASN 125 N -2.84 -0.20 0.22 -1.22 0.01 -1.26 -5.18 114.94 104.48 1uph s ASN 125 Ca 0.09 -0.26 -0.05 0.00 -0.71 0.00 0.00 52.86 51.93 1uph s ASN 125 Cb -0.03 0.40 -0.03 0.00 0.41 0.00 0.00 41.25 42.01 1uph s ASN 125 CO -0.00 -0.72 0.26 -0.55 -1.51 0.00 0.00 177.10 174.58 1uph s SER 126 N -2.82 0.08 -0.05 -1.22 0.15 -1.26 -5.17 113.70 103.41 1uph s SER 126 Ca 0.11 -1.22 -0.03 0.00 0.70 0.00 0.00 55.95 55.51 1uph s SER 126 Cb -0.00 0.46 0.03 0.00 -1.71 0.00 0.00 66.02 64.80 1uph s SER 126 CO -0.01 -0.96 0.13 -1.58 1.20 0.00 0.00 173.24 172.02 1uph s GLN 127 N -4.09 0.10 -0.00 5.44 0.74 -1.26 -5.15 119.66 115.44 1uph s GLN 127 Ca 0.33 0.28 -0.28 0.00 0.05 0.00 0.00 55.36 55.74 1uph s GLN 127 Cb 0.04 -0.10 0.09 0.00 1.10 0.00 0.00 33.01 34.14 1uph s GLN 127 CO 0.11 -0.11 0.77 0.54 -0.55 0.00 0.00 175.29 176.05 1uph s VAL 128 N 0.76 0.00 0.31 1.34 0.11 -1.26 -5.07 120.40 116.58 1uph s VAL 128 Ca -0.06 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 1uph s VAL 128 Cb -0.08 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 1uph s VAL 128 CO -0.04 0.00 0.00 -1.20 -3.33 0.00 0.00 175.10 170.53 1uph n SER 129 N 0.22 -2.75 -3.09 3.54 7.64 -1.26 -5.11 113.62 112.82 1uph n SER 129 Ca -0.14 0.71 -0.00 0.00 1.01 0.00 0.00 58.87 60.45 1uph n SER 129 Cb 0.61 2.71 -0.00 0.00 -1.01 0.00 0.00 64.21 66.51 1uph n SER 129 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1uph n GLN 130 N -3.22 -0.99 -4.46 1.43 0.00 -1.26 -5.01 117.38 103.88 1uph n GLN 130 Ca 0.00 1.20 -0.22 0.00 -0.00 0.00 0.00 57.00 57.98 1uph n GLN 130 Cb 0.00 -1.71 -0.11 0.00 0.00 0.00 0.00 30.24 28.42 1uph n GLN 130 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1uph s ASN 131 N -0.96 2.70 0.00 1.69 0.01 -1.26 -5.37 114.94 111.75 1uph s ASN 131 Ca -0.01 -1.29 0.09 0.00 -0.71 0.00 0.00 52.86 50.94 1uph s ASN 131 Cb 0.00 -0.15 0.56 0.00 0.41 0.00 0.00 41.25 42.06 1uph s ASN 131 CO 0.14 -0.48 1.01 0.00 -1.51 0.00 0.00 177.10 176.26