#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 -2.35 4.61 0.00 -1.26 -4.97 120.51 116.54 1uph n ALA 3 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1uph n ALA 3 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1uph n ALA 3 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1uph n ARG 4 N -3.03 3.34 -0.40 0.00 1.85 -1.26 -5.06 116.66 112.10 1uph n ARG 4 Ca 0.00 -4.22 0.05 0.00 -1.00 0.00 0.00 57.85 52.69 1uph n ARG 4 Cb 0.00 -2.27 -0.01 0.00 -1.05 0.00 0.00 32.46 29.12 1uph n ARG 4 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1uph n ALA 5 N -0.44 -1.72 -2.70 2.89 0.00 -1.26 -4.86 120.51 112.43 1uph n ALA 5 Ca 0.44 0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.94 1uph n ALA 5 Cb 0.45 -0.53 0.10 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 -4.08 -1.84 0.01 0.00 7.64 -1.26 -4.97 113.62 109.12 1uph n SER 6 Ca 0.00 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 57.02 1uph n SER 6 Cb 0.18 1.58 0.00 0.00 -1.01 0.00 0.00 64.21 64.96 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 0.44 0.02 -3.79 0.44 0.31 -1.26 -3.88 118.33 110.62 1uph n VAL 7 Ca 0.01 0.01 -0.13 0.00 -0.01 0.00 0.00 64.34 64.22 1uph n VAL 7 Cb 0.73 -0.68 -0.13 0.00 -0.91 0.00 0.00 33.84 32.84 1uph n VAL 7 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1uph s LEU 8 N -5.38 1.11 0.00 7.52 1.43 -1.26 -4.01 118.68 118.09 1uph s LEU 8 Ca 0.00 0.30 -0.10 0.00 -1.03 0.00 0.00 54.13 53.30 1uph s LEU 8 Cb 0.00 0.44 0.16 0.00 0.03 0.00 0.00 46.19 46.82 1uph s LEU 8 CO 0.00 -0.10 0.36 -0.24 0.23 0.00 0.00 176.35 176.61 1uph n SER 9 N 3.56 -2.69 0.29 2.29 2.88 -1.26 -4.11 113.62 114.57 1uph n SER 9 Ca -0.19 -0.37 -0.17 0.00 -1.33 0.00 0.00 58.87 56.82 1uph n SER 9 Cb 0.56 -0.57 -0.08 0.00 -0.75 0.00 0.00 64.21 63.36 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 -2.30 -0.92 0.97 0.46 0.00 -1.98 0.45 103.07 99.74 1uph h GLY 10 Ca -0.16 0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 1uph h GLY 10 CO 0.10 -0.33 0.22 -1.33 0.00 0.00 0.00 176.54 175.20 1uph h GLY 11 N -0.83 0.73 1.91 4.60 0.00 -1.99 -0.75 103.07 106.72 1uph h GLY 11 Ca -0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1uph h GLY 11 CO 0.02 0.35 0.01 0.83 0.00 0.00 0.00 176.54 177.75 1uph h GLU 12 N 0.61 0.12 -0.10 4.80 4.39 -1.82 0.70 114.58 123.28 1uph h GLU 12 Ca 0.16 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.75 1uph h GLU 12 Cb 0.13 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1uph h GLU 12 CO -0.02 0.12 -0.34 1.25 -1.16 0.00 0.00 179.01 178.86 1uph h LEU 13 N 0.12 0.48 -0.17 1.33 7.12 0.61 0.40 115.31 125.20 1uph h LEU 13 Ca 0.03 -0.61 0.00 0.00 0.13 0.00 0.00 57.88 57.43 1uph h LEU 13 Cb 0.06 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.05 1uph h LEU 13 CO -0.00 1.01 0.11 -0.78 -0.13 0.00 0.00 178.44 178.65 1uph h ASP 14 N -0.03 0.19 -0.20 1.25 3.58 -0.38 0.07 116.42 120.91 1uph h ASP 14 Ca -0.01 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.32 1uph h ASP 14 Cb 0.97 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 1uph h ASP 14 CO 0.07 0.15 -0.25 0.11 -2.88 0.00 0.00 179.24 176.44 1uph h LYS 15 N 0.22 0.67 -0.99 0.28 1.57 -0.91 -2.45 116.57 114.96 1uph h LYS 15 Ca 0.06 -0.27 0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1uph h LYS 15 Cb -0.02 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.19 1uph h LYS 15 CO -0.01 0.85 0.64 2.35 -0.57 0.00 0.00 179.45 182.71 1uph h TRP 16 N 0.58 1.17 -0.50 -1.35 2.91 0.44 0.11 115.95 119.31 1uph h TRP 16 Ca 0.08 0.03 -0.31 0.00 1.13 0.00 0.00 58.89 59.82 1uph h TRP 16 Cb 0.73 -0.38 -0.15 0.00 -0.51 0.00 0.00 29.16 28.85 1uph h TRP 16 CO 0.03 0.59 0.40 -0.85 -1.03 0.00 0.00 178.44 177.58 1uph n GLU 17 N -4.51 1.76 0.00 2.65 0.28 -0.04 -3.54 120.64 117.23 1uph n GLU 17 Ca 0.16 -1.58 0.02 0.00 -0.16 0.00 0.00 57.16 55.60 1uph n GLU 17 Cb 0.21 -1.62 -0.02 0.00 1.43 0.00 0.00 31.44 31.44 1uph n GLU 17 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1uph n LYS 18 N 0.06 5.14 -3.17 3.44 4.81 0.36 -4.49 118.16 124.31 1uph n LYS 18 Ca 0.31 -0.05 -0.36 0.00 -0.87 0.00 0.00 58.31 57.34 1uph n LYS 18 Cb 0.78 -0.74 -0.06 0.00 0.02 0.00 0.00 35.03 35.03 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 -1.38 4.64 0.07 3.15 1.09 -1.23 -4.83 121.20 122.71 1uph s ILE 19 Ca 0.02 1.20 0.01 0.00 -1.10 0.00 0.00 60.65 60.78 1uph s ILE 19 Cb 0.04 -3.85 -0.04 0.00 -1.06 0.00 0.00 42.46 37.55 1uph s ILE 19 CO 0.18 0.27 0.18 -0.13 -0.10 0.00 0.00 174.94 175.34 1uph s ARG 20 N -1.84 3.28 0.01 2.79 0.52 0.10 -0.74 118.95 123.07 1uph s ARG 20 Ca 0.40 -0.53 -0.07 0.00 -0.52 0.00 0.00 55.73 55.01 1uph s ARG 20 Cb -0.17 -2.94 -0.30 0.00 0.52 0.00 0.00 34.95 32.06 1uph s ARG 20 CO 0.21 0.59 0.88 -0.07 0.02 0.00 0.00 175.30 176.93 1uph h LEU 21 N 3.08 0.53 -9.76 2.53 3.38 -1.48 0.64 115.31 114.22 1uph h LEU 21 Ca -0.46 -0.68 -0.60 0.00 0.09 0.00 0.00 57.88 56.23 1uph h LEU 21 Cb 1.16 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.67 1uph h LEU 21 CO 0.73 1.56 -0.56 -0.13 0.09 0.00 0.00 178.44 180.12 1uph s ARG 22 N -2.61 3.01 0.13 1.13 0.52 -1.26 -4.53 118.95 115.34 1uph s ARG 22 Ca -0.10 -0.72 -0.05 0.00 -0.52 0.00 0.00 55.73 54.34 1uph s ARG 22 Cb 0.06 -2.76 -0.07 0.00 0.52 0.00 0.00 34.95 32.70 1uph s ARG 22 CO 0.87 0.53 1.33 -1.00 0.02 0.00 0.00 175.30 177.06 1uph h PRO 23 N 2.81 0.48 -0.00 3.54 0.13 -1.99 -3.11 132.00 133.86 1uph h PRO 23 Ca -0.47 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.19 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 0.66 1.11 -0.35 0.41 -0.23 0.00 0.00 178.00 179.60 1uph n GLY 24 N 0.83 -1.28 0.00 1.56 0.00 -1.26 -5.04 105.19 100.00 1uph n GLY 24 Ca -0.07 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 1.49 2.35 0.00 -0.02 0.00 -1.18 -5.10 105.19 102.73 1uph n GLY 25 Ca 0.06 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.19 0.00 -3.70 1.61 4.81 -1.26 -4.55 118.16 114.88 1uph n LYS 26 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 1uph n LYS 26 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 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 1.08 0.35 1.64 2.20 -1.26 -5.06 119.74 118.69 1uph s LYS 27 Ca 0.00 -0.56 0.07 0.00 -0.36 0.00 0.00 55.97 55.11 1uph s LYS 27 Cb 0.00 0.39 -0.07 0.00 -1.51 0.00 0.00 37.83 36.64 1uph s LYS 27 CO 0.00 -0.49 -0.01 1.14 -0.36 0.00 0.00 175.35 175.63 1uph s GLN 28 N -3.21 1.77 1.12 4.03 0.00 -1.26 -1.20 119.66 120.92 1uph s GLN 28 Ca 0.11 -1.96 -0.13 0.00 -0.00 0.00 0.00 55.36 53.38 1uph s GLN 28 Cb -0.01 -1.35 0.24 0.00 0.00 0.00 0.00 33.01 31.89 1uph s GLN 28 CO -0.00 -0.04 0.91 0.66 0.00 0.00 0.00 175.29 176.82 1uph n TYR 29 N -0.79 -0.91 -4.02 9.60 4.02 0.08 -4.91 117.16 120.24 1uph n TYR 29 Ca -0.04 -0.01 0.05 0.00 -0.01 0.00 0.00 57.90 57.88 1uph n TYR 29 Cb 0.66 -1.74 0.01 0.00 -0.02 0.00 0.00 39.34 38.24 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 -4.31 0.07 0.60 -0.72 2.20 -1.26 -4.34 119.74 111.98 1uph s LYS 30 Ca 0.67 -0.05 0.29 0.00 -0.36 0.00 0.00 55.97 56.52 1uph s LYS 30 Cb -0.24 0.02 1.62 0.00 -1.51 0.00 0.00 37.83 37.72 1uph s LYS 30 CO 0.64 -0.03 2.02 1.25 -0.36 0.00 0.00 175.35 178.87 1uph h LEU 31 N 2.00 0.00 -0.36 5.43 7.12 -1.96 0.23 115.31 127.78 1uph h LEU 31 Ca -0.20 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.77 1uph h LEU 31 Cb 1.17 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.29 1uph h LEU 31 CO 0.29 0.00 0.09 0.50 -0.13 0.00 0.00 178.44 179.19 1uph h LYS 32 N 0.00 0.57 -0.20 1.25 3.11 -1.97 0.40 116.57 119.73 1uph h LYS 32 Ca 0.12 -0.14 -0.15 0.00 -2.81 0.00 0.00 60.65 57.67 1uph h LYS 32 Cb 0.72 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.87 1uph h LYS 32 CO -0.00 0.62 -0.51 0.45 -2.81 0.00 0.00 179.45 177.20 1uph h HIS 33 N 0.43 0.67 -0.36 1.91 3.86 -0.98 -0.57 115.15 120.11 1uph h HIS 33 Ca 0.11 -0.22 -0.10 0.00 -1.16 0.00 0.00 60.37 59.00 1uph h HIS 33 Cb 0.30 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 1uph h HIS 33 CO 0.02 0.94 -0.18 0.82 0.86 0.00 0.00 177.93 180.39 1uph h ILE 34 N 0.43 1.26 -0.30 2.45 2.04 -0.88 0.18 117.51 122.69 1uph h ILE 34 Ca 0.02 -1.23 -0.19 0.00 1.00 0.00 0.00 64.86 64.46 1uph h ILE 34 Cb 1.03 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1uph h ILE 34 CO 0.10 0.41 -0.54 0.58 0.00 0.00 0.00 178.15 178.70 1uph h VAL 35 N 0.60 1.27 -0.07 1.67 2.07 0.02 0.19 116.25 122.00 1uph h VAL 35 Ca 0.09 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.89 1uph h VAL 35 Cb 0.64 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1uph h VAL 35 CO 0.05 0.56 0.02 -0.25 0.02 0.00 0.00 177.57 177.97 1uph h TRP 36 N 0.69 0.12 0.11 1.57 7.01 -0.80 0.27 115.95 124.92 1uph h TRP 36 Ca 0.02 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 1uph h TRP 36 Cb 1.15 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 28.17 1uph h TRP 36 CO 0.07 0.27 -0.06 0.00 -2.79 0.00 0.00 178.44 175.93 1uph h ALA 37 N 0.83 -0.16 -0.53 2.65 0.00 -0.61 -0.18 119.26 121.27 1uph h ALA 37 Ca 0.02 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1uph h ALA 37 Cb 0.21 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1uph h ALA 37 CO -0.00 -0.59 0.36 0.66 0.00 0.00 0.00 179.25 179.67 1uph h SER 38 N -0.16 0.33 -0.36 0.00 4.64 -0.48 0.19 113.55 117.70 1uph h SER 38 Ca -0.01 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1uph h SER 38 Cb 0.13 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1uph h SER 38 CO 0.01 0.20 -0.11 -0.09 -0.87 0.00 0.00 176.83 175.98 1uph h ARG 39 N 0.37 0.72 -0.16 4.77 2.43 0.54 0.19 114.38 123.23 1uph h ARG 39 Ca 0.24 -0.29 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1uph h ARG 39 Cb 0.46 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1uph h ARG 39 CO -0.06 0.88 -0.04 1.49 -1.51 0.00 0.00 179.97 180.73 1uph h GLU 40 N 0.51 0.32 0.04 0.20 4.22 0.47 -0.64 114.58 119.71 1uph h GLU 40 Ca 0.09 -0.12 -0.00 0.00 0.08 0.00 0.00 59.36 59.41 1uph h GLU 40 Cb 0.63 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1uph h GLU 40 CO 0.04 0.59 -0.02 -0.07 -2.18 0.00 0.00 179.01 177.37 1uph h LEU 41 N 0.02 -0.04 -0.79 1.64 4.07 -0.67 0.40 115.31 119.94 1uph h LEU 41 Ca 0.04 -0.03 0.10 0.00 0.08 0.00 0.00 57.88 58.06 1uph h LEU 41 Cb 0.47 0.01 -0.07 0.00 1.08 0.00 0.00 40.66 42.15 1uph h LEU 41 CO 0.02 0.00 0.44 -0.08 -1.08 0.00 0.00 178.44 177.74 1uph h GLU 42 N -0.09 0.71 0.00 1.13 4.81 -0.60 0.27 114.58 120.82 1uph h GLU 42 Ca -0.01 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1uph h GLU 42 Cb 0.07 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1uph h GLU 42 CO 0.01 0.47 -0.23 -0.09 -0.73 0.00 0.00 179.01 178.44 1uph h ARG 43 N 0.73 0.00 -0.00 1.92 9.65 -0.64 -2.43 114.38 123.61 1uph h ARG 43 Ca 0.39 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.27 1uph h ARG 43 Cb 0.37 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 1uph h ARG 43 CO -0.26 0.23 -0.22 1.19 2.80 0.00 0.00 179.97 183.71 1uph n PHE 44 N -3.35 0.00 -1.92 2.20 3.01 0.14 -4.92 117.46 112.61 1uph n PHE 44 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1uph n PHE 44 Cb 0.45 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 1uph n PHE 44 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1uph n ALA 45 N -1.40 0.00 -2.52 4.37 0.00 0.32 -5.04 120.51 116.25 1uph n ALA 45 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.27 1uph n ALA 45 Cb 0.33 -0.42 -0.13 0.00 0.00 0.00 0.00 19.45 19.22 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 -2.78 1.67 -0.04 0.00 1.01 0.44 -5.00 120.40 115.70 1uph s VAL 46 Ca 0.00 -1.36 -0.30 0.00 0.00 0.00 0.00 61.98 60.32 1uph s VAL 46 Cb 0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 1uph s VAL 46 CO 0.00 0.07 1.17 0.20 0.00 0.00 0.00 175.10 176.53 1uph s ASN 47 N -1.54 7.09 0.11 3.32 0.01 -1.26 -3.78 114.94 118.89 1uph s ASN 47 Ca 0.07 1.81 -0.09 0.00 -0.71 0.00 0.00 52.86 53.93 1uph s ASN 47 Cb -0.09 -2.56 -0.14 0.00 0.41 0.00 0.00 41.25 38.86 1uph s ASN 47 CO 0.03 -0.53 1.28 1.55 -1.51 0.00 0.00 177.10 177.91 1uph h PRO 48 N 7.28 0.61 0.00 -0.60 0.13 -1.94 -3.07 132.00 134.42 1uph h PRO 48 Ca -0.35 -0.60 0.00 0.00 -0.87 0.00 0.00 66.00 64.18 1uph h PRO 48 Cb 1.17 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1uph h PRO 48 CO 0.86 1.21 0.00 0.78 -0.23 0.00 0.00 178.00 180.62 1uph h GLY 49 N 0.77 0.00 2.00 1.56 0.00 -1.92 -0.95 103.07 104.53 1uph h GLY 49 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1uph h GLY 49 CO 0.17 0.00 -0.04 0.17 0.00 0.00 0.00 176.54 176.85 1uph h LEU 50 N 0.00 0.00 0.00 3.11 8.10 -1.83 -0.81 115.31 123.88 1uph h LEU 50 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1uph h LEU 50 Cb 0.29 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.51 1uph h LEU 50 CO 0.00 0.04 0.00 0.18 -4.11 0.00 0.00 178.44 174.55 1uph n LEU 51 N -3.16 0.00 0.00 0.17 4.77 -0.36 -2.89 117.00 115.53 1uph n LEU 51 Ca 0.00 0.05 0.13 0.00 -0.03 0.00 0.00 56.01 56.16 1uph n LEU 51 Cb 0.30 -0.05 0.67 0.00 -2.33 0.00 0.00 43.42 42.00 1uph n LEU 51 CO 0.27 -0.00 0.93 1.21 -1.33 0.00 0.00 177.39 178.48 1uph n GLU 52 N -1.05 0.43 -4.86 3.23 2.13 -0.31 -4.68 120.64 115.53 1uph n GLU 52 Ca 0.21 0.04 -0.26 0.00 0.66 0.00 0.00 57.16 57.81 1uph n GLU 52 Cb 0.13 -1.50 -0.15 0.00 0.27 0.00 0.00 31.44 30.18 1uph n GLU 52 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1uph s THR 53 N -2.50 1.56 0.45 6.31 -4.23 -1.14 -4.80 115.64 111.29 1uph s THR 53 Ca 0.26 -0.92 0.14 0.00 -1.18 0.00 0.00 61.69 60.00 1uph s THR 53 Cb 0.17 -1.31 0.32 0.00 1.34 0.00 0.00 72.50 73.02 1uph s THR 53 CO 0.38 0.37 2.02 0.77 -0.54 0.00 0.00 174.62 177.62 1uph h SER 54 N 5.46 0.29 -0.04 3.99 4.64 -1.85 -0.92 113.55 125.11 1uph h SER 54 Ca -0.39 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.92 1uph h SER 54 Cb 1.15 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1uph h SER 54 CO 0.47 0.18 -0.02 -0.33 -0.87 0.00 0.00 176.83 176.27 1uph h GLU 55 N 0.33 0.09 -0.64 4.77 5.08 -1.95 -0.54 114.58 121.71 1uph h GLU 55 Ca 0.21 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.59 1uph h GLU 55 Cb 0.42 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 1uph h GLU 55 CO -0.05 0.47 0.35 0.78 -1.00 0.00 0.00 179.01 179.56 1uph h GLY 56 N -0.30 0.93 1.01 -3.84 0.00 -1.42 0.40 103.07 99.85 1uph h GLY 56 Ca 0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 1uph h GLY 56 CO 0.01 0.14 0.19 0.00 0.00 0.00 0.00 176.54 176.88 1uph h ARG 58 N 0.88 1.20 0.20 0.00 2.43 0.13 0.16 114.38 119.38 1uph h ARG 58 Ca 0.20 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1uph h ARG 58 Cb 0.29 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1uph h ARG 58 CO -0.01 0.91 -0.10 1.96 -1.51 0.00 0.00 179.97 181.23 1uph h GLN 59 N 1.19 -0.26 -0.23 0.20 4.20 0.23 0.30 115.11 120.75 1uph h GLN 59 Ca 0.29 0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.03 1uph h GLN 59 Cb 0.09 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1uph h GLN 59 CO -0.04 -0.13 0.15 0.82 -0.67 0.00 0.00 178.83 178.95 1uph h ILE 60 N -0.32 1.04 -0.79 2.54 2.04 -1.02 0.32 117.51 121.33 1uph h ILE 60 Ca -0.03 -0.10 0.08 0.00 1.00 0.00 0.00 64.86 65.81 1uph h ILE 60 Cb 0.25 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 36.98 1uph h ILE 60 CO 0.05 0.05 0.45 0.25 0.00 0.00 0.00 178.15 178.95 1uph h LEU 61 N 0.30 0.66 -1.01 1.44 6.46 -0.48 0.18 115.31 122.87 1uph h LEU 61 Ca 0.09 0.04 -0.10 0.00 -0.12 0.00 0.00 57.88 57.79 1uph h LEU 61 Cb -0.02 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 1uph h LEU 61 CO -0.03 0.40 -0.40 1.23 -0.62 0.00 0.00 178.44 179.02 1uph h GLY 62 N 0.79 0.20 2.00 3.75 0.00 0.36 0.41 103.07 110.58 1uph h GLY 62 Ca 0.37 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.41 1uph h GLY 62 CO -0.22 0.17 -0.49 -1.61 0.00 0.00 0.00 176.54 174.39 1uph h GLN 63 N 0.16 0.00 0.00 4.80 5.75 0.17 -2.89 115.11 123.09 1uph h GLN 63 Ca 0.01 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.47 1uph h GLN 63 Cb 0.78 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.33 1uph h GLN 63 CO 0.06 0.49 -1.28 1.28 -2.65 0.00 0.00 178.83 176.73 1uph n LEU 64 N -3.65 0.69 -0.35 -2.39 4.77 0.44 -4.08 117.00 112.44 1uph n LEU 64 Ca -0.01 0.28 -0.03 0.00 -0.03 0.00 0.00 56.01 56.22 1uph n LEU 64 Cb 0.57 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.65 1uph n LEU 64 CO 0.39 -0.08 0.50 1.67 -1.33 0.00 0.00 177.39 178.55 1uph n GLN 65 N -2.65 -0.26 0.10 3.23 0.00 0.14 0.11 117.38 118.05 1uph n GLN 65 Ca -0.03 1.38 -0.05 0.00 -0.00 0.00 0.00 57.00 58.29 1uph n GLN 65 Cb 0.62 -2.04 0.05 0.00 0.00 0.00 0.00 30.24 28.88 1uph n GLN 65 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1uph h PRO 66 N 0.00 0.08 -0.67 3.69 0.13 -1.75 -3.11 132.00 130.37 1uph h PRO 66 Ca 0.27 -0.07 0.09 0.00 -0.87 0.00 0.00 66.00 65.41 1uph h PRO 66 Cb 0.50 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.60 1uph h PRO 66 CO -0.88 0.81 0.45 0.77 -0.23 0.00 0.00 178.00 178.91 1uph h SER 67 N 0.05 0.52 0.16 1.44 0.02 0.61 0.24 113.55 116.59 1uph h SER 67 Ca -0.02 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1uph h SER 67 Cb 1.36 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 1uph h SER 67 CO 0.11 0.32 -0.26 -0.07 -1.14 0.00 0.00 176.83 175.79 1uph h LEU 68 N 0.58 0.17 -0.71 5.07 -0.00 -0.30 -1.07 115.31 119.06 1uph h LEU 68 Ca 0.30 -0.05 0.29 0.00 -0.00 0.00 0.00 57.88 58.42 1uph h LEU 68 Cb 0.43 -0.05 -0.13 0.00 -0.00 0.00 0.00 40.66 40.91 1uph h LEU 68 CO -0.10 0.44 0.34 1.67 -0.00 0.00 0.00 178.44 180.79 1uph n GLN 69 N -4.17 -0.04 -2.73 1.13 0.00 0.85 -1.48 117.38 110.92 1uph n GLN 69 Ca -0.01 0.99 -0.03 0.00 -0.00 0.00 0.00 57.00 57.95 1uph n GLN 69 Cb 0.35 -1.75 0.09 0.00 0.00 0.00 0.00 30.24 28.93 1uph n GLN 69 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1uph n THR 70 N -4.65 0.58 -2.08 1.69 5.66 -1.12 -5.13 114.28 109.23 1uph n THR 70 Ca 0.26 -2.00 -0.27 0.00 -3.05 0.00 0.00 64.05 58.99 1uph n THR 70 Cb 0.88 1.07 0.08 0.00 -1.55 0.00 0.00 70.33 70.81 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 -2.34 1.66 0.68 1.09 0.00 -0.42 -5.09 107.32 102.90 1uph s GLY 71 Ca 0.19 -0.85 -0.04 0.00 0.00 0.00 0.00 44.72 44.02 1uph s GLY 71 CO -0.07 -0.39 0.97 -1.35 0.00 0.00 0.00 173.10 172.26 1uph s SER 72 N -4.57 4.76 0.21 1.64 1.04 -1.26 -4.87 113.70 110.65 1uph s SER 72 Ca 0.62 0.21 -0.10 0.00 0.48 0.00 0.00 55.95 57.15 1uph s SER 72 Cb -0.10 -0.84 0.15 0.00 0.10 0.00 0.00 66.02 65.32 1uph s SER 72 CO 0.47 -1.59 1.87 -0.08 0.98 0.00 0.00 173.24 174.89 1uph h GLU 73 N -0.48 0.98 -0.27 4.02 4.81 -1.98 0.24 114.58 121.89 1uph h GLU 73 Ca -0.43 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 58.66 1uph h GLU 73 Cb 1.30 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1uph h GLU 73 CO 0.54 0.66 -0.13 1.49 -0.73 0.00 0.00 179.01 180.84 1uph h GLU 74 N 1.00 0.57 -0.48 1.92 4.57 -1.99 -1.33 114.58 118.83 1uph h GLU 74 Ca 0.27 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1uph h GLU 74 Cb -0.09 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 1uph h GLU 74 CO -0.06 0.82 0.25 1.25 -1.18 0.00 0.00 179.01 180.09 1uph h LEU 75 N 0.31 0.59 -0.09 1.64 6.46 -1.84 -1.30 115.31 121.07 1uph h LEU 75 Ca 0.06 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 1uph h LEU 75 Cb 0.64 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1uph h LEU 75 CO 0.04 0.48 -0.02 0.03 -0.62 0.00 0.00 178.44 178.35 1uph h ARG 76 N 0.67 0.18 -0.47 1.25 3.08 -0.30 -1.06 114.38 117.73 1uph h ARG 76 Ca 0.17 -0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.22 1uph h ARG 76 Cb 0.03 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 1uph h ARG 76 CO -0.03 0.48 0.14 1.03 -1.07 0.00 0.00 179.97 180.52 1uph h SER 77 N -0.14 0.10 -0.31 7.04 0.87 -0.73 0.30 113.55 120.67 1uph h SER 77 Ca 0.02 0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1uph h SER 77 Cb 0.41 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 1uph h SER 77 CO 0.01 0.08 0.19 0.25 -0.53 0.00 0.00 176.83 176.84 1uph h LEU 78 N 0.29 0.33 -0.79 2.23 7.12 -1.19 -1.01 115.31 122.29 1uph h LEU 78 Ca 0.23 -0.00 0.04 0.00 0.13 0.00 0.00 57.88 58.27 1uph h LEU 78 Cb 0.26 -0.07 -0.05 0.00 -0.53 0.00 0.00 40.66 40.27 1uph h LEU 78 CO -0.26 0.24 0.50 0.22 -0.13 0.00 0.00 178.44 179.01 1uph h TYR 79 N 0.40 0.94 -0.56 1.25 5.03 -0.12 -0.51 116.97 123.39 1uph h TYR 79 Ca 0.12 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.46 1uph h TYR 79 Cb -0.03 -0.31 -0.03 0.00 1.55 0.00 0.00 36.73 37.92 1uph h TYR 79 CO -0.07 0.52 0.37 -0.91 -1.32 0.00 0.00 178.16 176.75 1uph h ASN 80 N 0.96 0.63 -0.82 -2.11 4.21 0.13 -0.03 115.58 118.54 1uph h ASN 80 Ca 0.32 -0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.82 1uph h ASN 80 Cb 0.05 -0.15 -0.04 0.00 -1.12 0.00 0.00 38.32 37.06 1uph h ASN 80 CO -0.13 0.45 0.50 0.74 -1.29 0.00 0.00 177.43 177.70 1uph h THR 81 N 0.74 1.23 -0.35 2.81 2.02 -0.36 -0.89 112.91 118.12 1uph h THR 81 Ca 0.21 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1uph h THR 81 Cb -0.06 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.40 1uph h THR 81 CO -0.06 0.23 0.20 0.40 0.37 0.00 0.00 175.52 176.67 1uph h ILE 82 N 1.12 1.13 -0.69 3.11 1.08 -0.37 0.45 117.51 123.34 1uph h ILE 82 Ca 0.29 -0.34 0.06 0.00 -0.39 0.00 0.00 64.86 64.49 1uph h ILE 82 Cb -0.05 0.73 -0.06 0.00 -3.07 0.00 0.00 36.82 34.37 1uph h ILE 82 CO -0.06 0.14 0.39 0.00 -0.69 0.00 0.00 178.15 177.93 1uph h ALA 83 N 1.06 0.92 -0.66 1.87 0.00 -0.49 0.37 119.26 122.33 1uph h ALA 83 Ca 0.12 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1uph h ALA 83 Cb 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1uph h ALA 83 CO -0.02 0.07 0.28 0.28 0.00 0.00 0.00 179.25 179.86 1uph h VAL 84 N 0.71 1.23 -0.68 0.00 2.07 -0.60 0.40 116.25 119.39 1uph h VAL 84 Ca 0.31 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1uph h VAL 84 Cb 0.19 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1uph h VAL 84 CO -0.18 0.28 0.27 0.25 0.02 0.00 0.00 177.57 178.21 1uph h LEU 85 N 0.94 0.91 -0.16 2.57 7.12 0.95 -0.62 115.31 127.03 1uph h LEU 85 Ca 0.22 -0.12 -0.23 0.00 0.13 0.00 0.00 57.88 57.88 1uph h LEU 85 Cb 0.16 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 40.06 1uph h LEU 85 CO -0.02 0.81 -0.96 0.22 -0.13 0.00 0.00 178.44 178.35 1uph h TYR 86 N 0.97 0.59 -0.90 1.25 3.20 -0.05 -0.81 116.97 121.21 1uph h TYR 86 Ca 0.23 -0.33 -0.02 0.00 3.14 0.00 0.00 58.73 61.75 1uph h TYR 86 Cb 0.18 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 1uph h TYR 86 CO 0.01 1.15 0.50 0.00 -1.64 0.00 0.00 178.16 178.18 1uph h VAL 88 N 1.26 1.45 -1.00 0.00 3.04 -1.10 1.58 116.25 121.49 1uph h VAL 88 Ca 0.32 -1.66 0.15 0.00 -1.01 0.00 0.00 66.70 64.50 1uph h VAL 88 Cb 0.02 2.40 -0.09 0.00 -2.01 0.00 0.00 31.29 31.60 1uph h VAL 88 CO -0.05 0.46 0.62 0.45 -1.01 0.00 0.00 177.57 178.04 1uph h HIS 89 N -0.31 1.10 0.00 3.17 -0.00 -0.79 0.37 115.15 118.69 1uph h HIS 89 Ca -0.01 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1uph h HIS 89 Cb 0.86 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 27.93 1uph h HIS 89 CO 0.14 0.35 -0.56 1.96 -0.00 0.00 0.00 177.93 179.82 1uph h GLN 90 N 0.88 0.00 -3.86 2.45 1.08 -0.61 -3.44 115.11 111.61 1uph h GLN 90 Ca 0.53 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.66 1uph h GLN 90 Cb 0.68 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 28.17 1uph h GLN 90 CO -0.31 0.00 -0.24 -2.13 -0.95 0.00 0.00 178.83 175.20 1uph n ARG 91 N -2.32 -0.73 -4.26 1.46 0.63 0.14 -5.04 116.66 106.53 1uph n ARG 91 Ca 0.03 0.41 -0.34 0.00 -0.92 0.00 0.00 57.85 57.03 1uph n ARG 91 Cb 0.47 -3.02 -0.13 0.00 0.45 0.00 0.00 32.46 30.23 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 -3.11 3.69 -0.20 5.15 1.01 0.50 -4.98 121.20 123.25 1uph s ILE 92 Ca 0.13 -0.41 -0.42 0.00 0.00 0.00 0.00 60.65 59.94 1uph s ILE 92 Cb -0.02 -2.64 -0.19 0.00 0.01 0.00 0.00 42.46 39.63 1uph s ILE 92 CO 0.26 0.46 1.36 -0.90 0.00 0.00 0.00 174.94 176.12 1uph n ASP 93 N 4.00 0.84 -3.98 3.58 5.75 -1.26 -4.66 116.55 120.82 1uph n ASP 93 Ca -0.18 1.16 -0.12 0.00 -0.01 0.00 0.00 54.79 55.65 1uph n ASP 93 Cb 0.52 -0.96 -0.08 0.00 -1.03 0.00 0.00 41.12 39.58 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 1.48 0.00 0.00 2.12 -7.23 -1.26 -4.85 120.40 110.66 1uph s VAL 94 Ca 0.96 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 1uph s VAL 94 Cb -1.30 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 33.24 1uph s VAL 94 CO 0.66 0.00 0.00 0.29 -0.31 0.00 0.00 175.10 175.74 1uph n LYS 95 N -0.36 0.00 -4.27 4.82 5.02 -1.26 -4.97 118.16 117.14 1uph n LYS 95 Ca 0.01 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.15 1uph n LYS 95 Cb 0.64 -0.03 -0.10 0.00 -0.02 0.00 0.00 35.03 35.52 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 -1.94 1.44 0.41 4.39 -4.77 -1.26 0.03 116.67 114.96 1uph s ASP 96 Ca 0.00 -1.19 0.07 0.00 -3.30 0.00 0.00 52.55 48.14 1uph s ASP 96 Cb 0.00 0.08 0.87 0.00 -1.09 0.00 0.00 42.92 42.78 1uph s ASP 96 CO 0.00 -0.54 2.06 0.00 0.70 0.00 0.00 175.17 177.39 1uph h THR 97 N 2.62 1.10 -0.36 2.11 1.03 -1.10 -0.89 112.91 117.42 1uph h THR 97 Ca -0.37 -0.19 -0.16 0.00 -0.01 0.00 0.00 66.41 65.68 1uph h THR 97 Cb 1.21 0.51 -0.00 0.00 -1.07 0.00 0.00 68.15 68.80 1uph h THR 97 CO 0.63 0.10 -0.40 0.50 -0.01 0.00 0.00 175.52 176.34 1uph h LYS 98 N 0.54 0.91 -0.20 0.00 3.11 -1.86 0.38 116.57 119.45 1uph h LYS 98 Ca 0.15 -0.50 0.00 0.00 -2.81 0.00 0.00 60.65 57.49 1uph h LYS 98 Cb -0.06 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.19 1uph h LYS 98 CO -0.03 1.15 0.12 1.49 -2.81 0.00 0.00 179.45 179.37 1uph h GLU 99 N 0.72 0.26 -0.22 1.90 4.57 -1.65 0.28 114.58 120.45 1uph h GLU 99 Ca 0.05 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.12 1uph h GLU 99 Cb 1.00 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.52 1uph h GLU 99 CO 0.10 0.20 -0.26 0.00 -1.18 0.00 0.00 179.01 177.87 1uph h ALA 100 N 1.05 1.15 -0.36 2.92 0.00 -1.16 0.34 119.26 123.19 1uph h ALA 100 Ca 0.07 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1uph h ALA 100 Cb -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1uph h ALA 100 CO -0.01 0.54 0.09 -0.07 0.00 0.00 0.00 179.25 179.80 1uph h LEU 101 N 0.37 0.55 -0.46 0.00 -0.00 -0.25 0.18 115.31 115.70 1uph h LEU 101 Ca 0.05 -0.23 -0.17 0.00 -0.00 0.00 0.00 57.88 57.54 1uph h LEU 101 Cb 0.66 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 41.17 1uph h LEU 101 CO 0.05 0.63 -0.54 -0.78 -0.00 0.00 0.00 178.44 177.80 1uph h ASP 102 N 0.43 0.73 -0.10 -0.43 3.58 -0.15 0.18 116.42 120.66 1uph h ASP 102 Ca 0.11 -0.39 0.00 0.00 0.42 0.00 0.00 57.03 57.18 1uph h ASP 102 Cb 0.30 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 1uph h ASP 102 CO 0.00 1.12 0.06 0.11 -2.88 0.00 0.00 179.24 177.66 1uph h LYS 103 N 0.51 0.13 -0.21 0.28 1.79 -0.04 0.40 116.57 119.42 1uph h LYS 103 Ca 0.01 -0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 1uph h LYS 103 Cb 1.10 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.71 1uph h LYS 103 CO 0.11 0.11 -0.38 0.82 -1.08 0.00 0.00 179.45 179.03 1uph h ILE 104 N 0.11 1.30 -0.78 1.86 1.08 -0.58 -1.37 117.51 119.13 1uph h ILE 104 Ca 0.03 -1.51 -0.05 0.00 -0.39 0.00 0.00 64.86 62.94 1uph h ILE 104 Cb 0.01 1.55 -0.03 0.00 -3.07 0.00 0.00 36.82 35.28 1uph h ILE 104 CO -0.01 0.47 0.28 -0.33 -0.69 0.00 0.00 178.15 177.87 1uph h GLU 105 N 0.40 1.19 0.08 2.37 3.07 -0.06 0.15 114.58 121.79 1uph h GLU 105 Ca 0.04 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 58.66 1uph h GLU 105 Cb 0.85 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 1uph h GLU 105 CO 0.07 0.98 -0.04 1.49 -1.40 0.00 0.00 179.01 180.11 1uph h GLU 106 N 1.15 -0.11 -0.04 2.33 4.81 0.02 -0.82 114.58 121.92 1uph h GLU 106 Ca 0.26 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.52 1uph h GLU 106 Cb 0.26 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1uph h GLU 106 CO -0.01 0.31 -0.14 1.49 -0.73 0.00 0.00 179.01 179.92 1uph h GLU 107 N -0.56 -0.21 -0.17 1.92 4.81 -1.15 0.13 114.58 119.34 1uph h GLU 107 Ca -0.01 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1uph h GLU 107 Cb 0.47 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 1uph h GLU 107 CO 0.02 -0.14 -0.07 1.96 -0.73 0.00 0.00 179.01 180.04 1uph h GLN 108 N -0.22 -0.05 -0.42 1.92 1.08 -0.74 0.28 115.11 116.96 1uph h GLN 108 Ca 0.06 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.34 1uph h GLN 108 Cb 0.30 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.68 1uph h GLN 108 CO -0.17 -0.03 0.01 -0.97 -0.95 0.00 0.00 178.83 176.72 1uph h ASN 109 N -0.05 -0.16 -0.73 1.46 -0.73 -0.70 0.23 115.58 114.90 1uph h ASN 109 Ca 0.09 0.10 0.02 0.00 1.87 0.00 0.00 56.30 58.38 1uph h ASN 109 Cb 0.19 0.17 -0.04 0.00 0.27 0.00 0.00 38.32 38.90 1uph h ASN 109 CO -0.21 -0.04 0.46 0.50 -0.37 0.00 0.00 177.43 177.77 1uph h LYS 110 N 0.12 0.89 0.42 6.67 3.64 0.01 -0.12 116.57 128.20 1uph h LYS 110 Ca 0.21 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1uph h LYS 110 Cb 0.30 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1uph h LYS 110 CO -0.34 0.59 -0.33 0.77 -2.27 0.00 0.00 179.45 177.87 1uph h SER 111 N 0.92 -0.86 -0.28 4.20 0.02 0.14 0.17 113.55 117.86 1uph h SER 111 Ca 0.28 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.37 1uph h SER 111 Cb -0.02 0.28 -0.07 0.00 0.14 0.00 0.00 62.40 62.73 1uph h SER 111 CO -0.10 -0.49 -0.21 0.50 -1.14 0.00 0.00 176.83 175.39 1uph h LYS 112 N -0.74 -0.19 -0.38 3.45 3.64 -0.31 0.11 116.57 122.15 1uph h LYS 112 Ca -0.04 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.44 1uph h LYS 112 Cb 0.64 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.42 1uph h LYS 112 CO -0.01 -0.13 -0.18 -0.22 -2.27 0.00 0.00 179.45 176.65 1uph h LYS 113 N -0.20 -0.11 -0.26 1.90 1.63 -0.71 0.20 116.57 119.03 1uph h LYS 113 Ca 0.15 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 60.02 1uph h LYS 113 Cb 0.43 0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 32.01 1uph h LYS 113 CO -0.40 -0.07 -0.22 -0.22 -3.45 0.00 0.00 179.45 175.09 1uph h LYS 114 N -0.11 -0.21 -0.21 1.90 3.64 0.74 0.21 116.57 122.53 1uph h LYS 114 Ca 0.19 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.64 1uph h LYS 114 Cb 0.40 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.20 1uph h LYS 114 CO -0.45 -0.14 -0.24 0.00 -2.27 0.00 0.00 179.45 176.35 1uph h ALA 115 N 0.88 -0.16 -0.52 5.00 0.00 0.63 -0.72 119.26 124.36 1uph h ALA 115 Ca 0.14 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.22 1uph h ALA 115 Cb 0.43 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 1uph h ALA 115 CO -0.38 -0.68 0.02 0.37 0.00 0.00 0.00 179.25 178.57 1uph h GLN 116 N -0.27 0.13 -0.35 0.00 4.15 0.49 0.28 115.11 119.54 1uph h GLN 116 Ca 0.13 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.61 1uph h GLN 116 Cb 0.46 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.05 1uph h GLN 116 CO -0.36 0.09 -0.14 1.96 -1.93 0.00 0.00 178.83 178.44 1uph h GLN 117 N 0.13 -0.07 0.60 1.69 1.08 0.69 0.17 115.11 119.41 1uph h GLN 117 Ca 0.27 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.44 1uph h GLN 117 Cb 0.40 0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.85 1uph h GLN 117 CO -0.42 -0.05 -0.29 0.00 -0.95 0.00 0.00 178.83 177.12 1uph h ALA 118 N 1.22 -1.15 -1.57 3.87 0.00 0.11 -1.29 119.26 120.44 1uph h ALA 118 Ca 0.18 -0.18 0.46 0.00 0.00 0.00 0.00 54.91 55.37 1uph h ALA 118 Cb 0.34 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1uph h ALA 118 CO -0.41 -1.10 1.25 0.00 0.00 0.00 0.00 179.25 179.00 1uph h ALA 119 N -1.59 3.48 0.44 0.00 0.00 -0.26 0.67 119.26 122.00 1uph h ALA 119 Ca -0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1uph h ALA 119 Cb 0.62 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1uph h ALA 119 CO 0.13 -2.06 -0.21 0.00 0.00 0.00 0.00 179.25 177.12 1uph h ALA 120 N 0.98 -0.59 0.00 0.00 0.00 0.10 -3.46 119.26 116.29 1uph h ALA 120 Ca 0.75 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.52 1uph h ALA 120 Cb 3.24 0.23 0.00 0.00 0.00 0.00 0.00 17.79 21.26 1uph h ALA 120 CO -0.01 -0.56 0.00 -3.47 0.00 0.00 0.00 179.25 175.22 1uph n ASP 121 N -5.17 0.00 0.00 0.00 2.03 0.22 -5.10 116.55 108.53 1uph n ASP 121 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 1uph n ASP 121 Cb 0.24 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 1uph n ASP 121 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1uph n THR 122 N 0.00 0.00 0.00 5.18 -2.24 -0.52 -4.89 114.28 111.82 1uph n THR 122 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1uph n THR 122 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1uph n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uph n GLY 123 N 0.00 0.32 3.23 3.38 0.00 -1.26 -4.77 105.19 106.09 1uph n GLY 123 Ca 0.00 0.69 -0.13 0.00 0.00 0.00 0.00 46.02 46.58 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 0.00 0.82 0.00 1.61 -0.87 -1.26 -5.15 114.94 110.09 1uph s ASN 124 Ca 0.00 -1.27 0.00 0.00 -1.57 0.00 0.00 52.86 50.02 1uph s ASN 124 Cb 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 41.25 41.44 1uph s ASN 124 CO 0.00 -0.69 0.00 -3.20 -2.57 0.00 0.00 177.10 170.64 1uph n ASN 125 N -0.27 0.00 -3.66 -1.22 5.15 -1.26 -5.19 115.26 108.82 1uph n ASN 125 Ca -0.03 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 53.88 1uph n ASN 125 Cb 0.65 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.88 1uph n ASN 125 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1uph s SER 126 N 0.00 -0.29 -0.31 1.20 0.01 -1.26 -5.14 113.70 107.92 1uph s SER 126 Ca 0.00 -0.27 -0.03 0.00 1.31 0.00 0.00 55.95 56.96 1uph s SER 126 Cb 0.00 0.51 0.11 0.00 0.21 0.00 0.00 66.02 66.85 1uph s SER 126 CO 0.00 -0.90 0.14 -1.58 0.41 0.00 0.00 173.24 171.31 1uph s GLN 127 N -3.40 0.33 0.51 12.44 2.00 -1.26 -5.13 119.66 125.15 1uph s GLN 127 Ca 0.09 -0.75 0.07 0.00 -2.00 0.00 0.00 55.36 52.76 1uph s GLN 127 Cb -0.02 -1.29 0.03 0.00 0.80 0.00 0.00 33.01 32.52 1uph s GLN 127 CO -0.02 -1.05 0.45 0.14 -0.50 0.00 0.00 175.29 174.31 1uph s VAL 128 N 1.84 1.98 0.05 1.34 -7.23 -1.26 -4.98 120.40 112.14 1uph s VAL 128 Ca 0.11 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 1uph s VAL 128 Cb -0.17 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1uph s VAL 128 CO -0.29 0.00 0.00 -0.24 -0.31 0.00 0.00 175.10 174.26 1uph n SER 129 N -1.77 -7.03 -3.65 4.85 2.88 -1.26 -5.08 113.62 102.56 1uph n SER 129 Ca 0.02 1.18 -0.05 0.00 -1.33 0.00 0.00 58.87 58.69 1uph n SER 129 Cb 0.63 -3.83 -0.06 0.00 -0.75 0.00 0.00 64.21 60.20 1uph n SER 129 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1uph s GLN 130 N -1.16 0.60 -0.17 -1.46 0.74 -1.26 -5.06 119.66 111.89 1uph s GLN 130 Ca 0.00 1.29 -0.13 0.00 0.05 0.00 0.00 55.36 56.57 1uph s GLN 130 Cb 0.00 0.47 -0.07 0.00 1.10 0.00 0.00 33.01 34.51 1uph s GLN 130 CO 0.00 -0.18 -0.29 -1.71 -0.55 0.00 0.00 175.29 172.56 1uph n ASN 131 N 4.90 1.70 -0.51 6.67 5.15 -1.26 -5.34 115.26 126.57 1uph n ASN 131 Ca -0.16 0.29 0.06 0.00 -0.60 0.00 0.00 54.58 54.17 1uph n ASN 131 Cb 0.54 -0.67 0.05 0.00 -0.53 0.00 0.00 39.78 39.17 1uph n ASN 131 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66