#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug0 n SER 2 N 0.00 -0.54 -3.43 1.61 7.64 -1.26 -5.07 113.62 112.57 1ug0 n SER 2 Ca 0.00 1.24 0.01 0.00 1.01 0.00 0.00 58.87 61.14 1ug0 n SER 2 Cb 0.00 -4.94 -0.04 0.00 -1.01 0.00 0.00 64.21 58.22 1ug0 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ug0 s SER 3 N -0.64 -0.75 0.00 6.43 0.01 -1.26 -5.14 113.70 112.36 1ug0 s SER 3 Ca -0.27 0.95 0.00 0.00 1.31 0.00 0.00 55.95 57.95 1ug0 s SER 3 Cb 0.02 1.82 0.00 0.00 0.21 0.00 0.00 66.02 68.07 1ug0 s SER 3 CO 0.74 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.86 1ug0 n GLY 4 N 5.14 0.46 3.95 3.44 0.00 -1.26 -5.09 105.19 111.83 1ug0 n GLY 4 Ca -0.09 -1.68 -0.23 0.00 0.00 0.00 0.00 46.02 44.01 1ug0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug0 s SER 5 N -4.00 5.32 -0.43 1.61 0.01 -1.26 -5.06 113.70 109.89 1ug0 s SER 5 Ca 0.00 0.26 -0.06 0.00 1.31 0.00 0.00 55.95 57.46 1ug0 s SER 5 Cb 0.00 -1.18 0.11 0.00 0.21 0.00 0.00 66.02 65.17 1ug0 s SER 5 CO 0.00 -1.15 0.26 -0.44 0.41 0.00 0.00 173.24 172.32 1ug0 s SER 6 N -4.39 5.45 0.00 2.44 0.01 -1.26 -5.00 113.70 110.95 1ug0 s SER 6 Ca 0.56 -1.96 0.00 0.00 1.31 0.00 0.00 55.95 55.86 1ug0 s SER 6 Cb -0.10 -1.91 0.00 0.00 0.21 0.00 0.00 66.02 64.22 1ug0 s SER 6 CO 0.41 -0.60 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1ug0 n GLY 7 N 4.73 1.86 3.63 3.44 0.00 -1.26 -5.12 105.19 112.47 1ug0 n GLY 7 Ca -0.05 0.27 -0.05 0.00 0.00 0.00 0.00 46.02 46.18 1ug0 n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ug0 s GLU 8 N 0.00 0.26 0.51 1.61 2.12 -1.26 -4.99 118.70 116.95 1ug0 s GLU 8 Ca 0.00 0.14 0.45 0.00 0.36 0.00 0.00 54.97 55.92 1ug0 s GLU 8 Cb 0.00 0.12 1.59 0.00 0.26 0.00 0.00 34.13 36.11 1ug0 s GLU 8 CO 0.00 -0.07 1.45 0.39 -0.54 0.00 0.00 175.26 176.49 1ug0 n GLU 9 N 1.03 -0.00 -0.35 4.30 1.02 -1.26 0.33 120.64 125.70 1ug0 n GLU 9 Ca -0.07 1.02 0.00 0.00 -0.02 0.00 0.00 57.16 58.10 1ug0 n GLU 9 Cb 0.58 -2.32 0.06 0.00 -0.02 0.00 0.00 31.44 29.74 1ug0 n GLU 9 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1ug0 h ASP 10 N 0.00 -1.23 -1.67 1.62 5.19 -1.94 1.71 116.42 120.11 1ug0 h ASP 10 Ca 0.87 0.29 0.48 0.00 -0.62 0.00 0.00 57.03 58.06 1ug0 h ASP 10 Cb 3.44 0.68 -0.07 0.00 0.18 0.00 0.00 39.33 43.57 1ug0 h ASP 10 CO -0.05 -0.30 1.29 0.00 -3.12 0.00 0.00 179.24 177.06 1ug0 n TYR 11 N -5.51 0.00 -0.02 4.55 0.18 0.15 0.22 117.16 116.73 1ug0 n TYR 11 Ca 0.11 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.91 1ug0 n TYR 11 Cb 0.42 -0.42 -0.08 0.00 -0.38 0.00 0.00 39.34 38.88 1ug0 n TYR 11 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 1ug0 n GLU 12 N -3.64 0.96 0.17 -3.48 0.28 0.52 -3.29 120.64 112.16 1ug0 n GLU 12 Ca 0.38 -0.07 0.13 0.00 -0.16 0.00 0.00 57.16 57.44 1ug0 n GLU 12 Cb 1.79 -1.24 0.49 0.00 1.43 0.00 0.00 31.44 33.90 1ug0 n GLU 12 CO 0.00 0.00 0.00 -0.56 -0.16 0.00 0.00 177.13 176.41 1ug0 h GLN 13 N 0.00 0.00 -0.00 3.44 3.07 0.89 -1.72 115.11 120.79 1ug0 h GLN 13 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.66 1ug0 h GLN 13 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.37 1ug0 h GLN 13 CO 0.00 0.00 -0.05 0.91 0.09 0.00 0.00 178.83 179.79 1ug0 n TRP 14 N -2.54 0.00 0.17 0.06 7.02 0.21 -2.77 117.44 119.59 1ug0 n TRP 14 Ca 0.03 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.57 1ug0 n TRP 14 Cb 0.32 -0.42 0.17 0.00 -2.42 0.00 0.00 31.31 28.97 1ug0 n TRP 14 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1ug0 h LEU 15 N 0.03 0.00 -0.15 -0.99 3.38 -1.53 -3.23 115.31 112.81 1ug0 h LEU 15 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1ug0 h LEU 15 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1ug0 h LEU 15 CO 0.00 0.35 -0.05 -0.33 0.09 0.00 0.00 178.44 178.50 1ug0 h GLU 16 N 0.00 0.30 -4.86 1.13 5.08 -1.65 -3.37 114.58 111.21 1ug0 h GLU 16 Ca -0.00 -0.12 -0.69 0.00 -1.00 0.00 0.00 59.36 57.54 1ug0 h GLU 16 Cb 1.14 -0.01 -0.19 0.00 0.50 0.00 0.00 28.75 30.19 1ug0 h GLU 16 CO 0.05 0.60 0.46 0.42 -1.00 0.00 0.00 179.01 179.54 1ug0 s ILE 17 N -4.67 4.78 0.62 3.13 1.09 -1.22 -5.03 121.20 119.90 1ug0 s ILE 17 Ca -0.14 -1.25 -0.12 0.00 -1.10 0.00 0.00 60.65 58.04 1ug0 s ILE 17 Cb 0.05 -4.63 -0.04 0.00 -1.06 0.00 0.00 42.46 36.79 1ug0 s ILE 17 CO 0.73 -1.32 1.03 -0.75 -0.10 0.00 0.00 174.94 174.53 1ug0 s LYS 18 N 2.66 3.53 0.61 2.79 2.47 -1.26 -4.93 119.74 125.61 1ug0 s LYS 18 Ca 0.22 0.81 -0.05 0.00 -1.56 0.00 0.00 55.97 55.39 1ug0 s LYS 18 Cb -0.14 -2.07 0.03 0.00 -1.46 0.00 0.00 37.83 34.19 1ug0 s LYS 18 CO -0.00 -0.63 0.91 0.14 0.16 0.00 0.00 175.35 175.93 1ug0 s VAL 19 N -3.10 3.14 0.12 4.02 -7.23 -1.26 -5.06 120.40 111.03 1ug0 s VAL 19 Ca 0.56 -0.19 0.07 0.00 -1.81 0.00 0.00 61.98 60.61 1ug0 s VAL 19 Cb -0.11 -3.27 -0.04 0.00 0.56 0.00 0.00 36.38 33.52 1ug0 s VAL 19 CO 0.52 -0.26 -0.08 -0.44 -0.31 0.00 0.00 175.10 174.53 1ug0 s SER 20 N -4.38 4.49 1.00 4.85 0.01 -1.26 -4.02 113.70 114.39 1ug0 s SER 20 Ca 0.56 -0.38 -0.15 0.00 1.31 0.00 0.00 55.95 57.29 1ug0 s SER 20 Cb -0.11 -0.88 0.19 0.00 0.21 0.00 0.00 66.02 65.43 1ug0 s SER 20 CO 0.44 0.16 1.18 -2.16 0.41 0.00 0.00 173.24 173.27 1ug0 s PRO 21 N -2.35 0.38 0.00 12.44 0.04 -1.26 -4.62 135.00 139.63 1ug0 s PRO 21 Ca 0.23 0.00 0.13 0.00 0.04 0.00 0.00 61.00 61.40 1ug0 s PRO 21 Cb -0.11 -1.78 0.80 0.00 0.04 0.00 0.00 34.50 33.46 1ug0 s PRO 21 CO 0.15 -2.66 1.34 -0.35 0.04 0.00 0.00 177.00 175.52 1ug0 n PRO 22 N -4.03 0.75 -0.09 0.56 -0.04 -1.26 -3.12 135.00 127.78 1ug0 n PRO 22 Ca 0.11 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.43 1ug0 n PRO 22 Cb 0.59 -1.28 -0.03 0.00 -0.04 0.00 0.00 33.50 32.74 1ug0 n PRO 22 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ug0 h GLU 23 N 0.00 0.89 -1.78 0.54 4.81 -1.95 -3.06 114.58 114.02 1ug0 h GLU 23 Ca 0.00 -0.53 0.52 0.00 -0.13 0.00 0.00 59.36 59.22 1ug0 h GLU 23 Cb 0.00 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.36 1ug0 h GLU 23 CO 0.00 1.17 1.31 0.41 -0.73 0.00 0.00 179.01 181.18 1ug0 n GLY 24 N 0.28 -0.91 0.34 1.92 0.00 -1.18 0.13 105.19 105.78 1ug0 n GLY 24 Ca -0.04 0.62 0.23 0.00 0.00 0.00 0.00 46.02 46.84 1ug0 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug0 h ALA 25 N 0.89 1.96 -0.02 4.61 0.00 -1.81 1.14 119.26 126.02 1ug0 h ALA 25 Ca 0.85 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.89 1ug0 h ALA 25 Cb 3.47 0.13 0.00 0.00 0.00 0.00 0.00 17.79 21.39 1ug0 h ALA 25 CO -0.01 -0.54 -0.16 0.93 0.00 0.00 0.00 179.25 179.47 1ug0 h GLU 26 N 0.37 0.15 0.00 0.00 5.08 0.80 -3.03 114.58 117.93 1ug0 h GLU 26 Ca 0.72 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 1ug0 h GLU 26 Cb 1.62 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.90 1ug0 h GLU 26 CO -0.57 0.81 0.00 2.41 -1.00 0.00 0.00 179.01 180.66 1ug0 n THR 27 N -4.60 1.04 -0.29 1.13 -1.04 0.98 -3.05 114.28 108.45 1ug0 n THR 27 Ca -0.09 0.53 -0.06 0.00 -2.04 0.00 0.00 64.05 62.39 1ug0 n THR 27 Cb 0.43 -1.50 -0.02 0.00 -1.82 0.00 0.00 70.33 67.42 1ug0 n THR 27 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1ug0 h ARG 28 N 0.00 -0.11 -0.92 -2.82 1.12 0.12 1.89 114.38 113.67 1ug0 h ARG 28 Ca 0.00 0.01 0.27 0.00 -1.11 0.00 0.00 59.98 59.14 1ug0 h ARG 28 Cb 0.13 0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 30.08 1ug0 h ARG 28 CO 0.00 -0.07 0.93 0.00 -3.11 0.00 0.00 179.97 177.72 1ug0 h ARG 29 N -0.12 0.00 0.02 0.20 3.08 -1.75 1.73 114.38 117.54 1ug0 h ARG 29 Ca 0.24 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.94 1ug0 h ARG 29 Cb 0.55 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.55 1ug0 h ARG 29 CO -0.82 0.00 -2.10 0.28 -1.07 0.00 0.00 179.97 176.26 1ug0 n VAL 30 N -3.56 1.54 0.04 2.04 0.31 0.58 -3.87 118.33 115.41 1ug0 n VAL 30 Ca 0.20 -0.77 -0.02 0.00 -0.01 0.00 0.00 64.34 63.74 1ug0 n VAL 30 Cb 1.23 -0.99 -0.01 0.00 -0.91 0.00 0.00 33.84 33.16 1ug0 n VAL 30 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1ug0 h ILE 31 N 0.01 0.00 -1.71 2.52 2.04 0.79 -3.13 117.51 118.03 1ug0 h ILE 31 Ca -0.44 -0.14 0.51 0.00 1.00 0.00 0.00 64.86 65.79 1ug0 h ILE 31 Cb 2.08 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 38.08 1ug0 h ILE 31 CO 0.04 0.00 1.21 -0.33 0.00 0.00 0.00 178.15 179.07 1ug0 h GLU 32 N -0.25 0.02 -0.14 2.37 5.08 0.53 1.47 114.58 123.65 1ug0 h GLU 32 Ca -0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ug0 h GLU 32 Cb 0.09 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1ug0 h GLU 32 CO 0.02 0.01 0.09 -0.22 -1.00 0.00 0.00 179.01 177.91 1ug0 h LYS 33 N 0.02 0.18 -0.21 2.33 1.63 -1.66 0.42 116.57 119.28 1ug0 h LYS 33 Ca 0.86 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 60.59 1ug0 h LYS 33 Cb 3.28 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 34.86 1ug0 h LYS 33 CO -0.10 0.12 -0.09 1.25 -3.45 0.00 0.00 179.45 177.18 1ug0 h LEU 34 N 0.19 0.44 -0.87 5.20 5.85 0.20 -1.93 115.31 124.39 1ug0 h LEU 34 Ca 0.05 -0.40 0.12 0.00 0.84 0.00 0.00 57.88 58.49 1ug0 h LEU 34 Cb -0.02 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 40.81 1ug0 h LEU 34 CO -0.01 0.74 0.49 0.00 -0.34 0.00 0.00 178.44 179.32 1ug0 h ALA 35 N 0.72 1.28 0.00 1.25 0.00 -0.84 1.65 119.26 123.32 1ug0 h ALA 35 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ug0 h ALA 35 Cb 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ug0 h ALA 35 CO 0.03 0.06 0.00 -0.09 0.00 0.00 0.00 179.25 179.25 1ug0 h ARG 36 N 0.78 0.00 0.03 0.00 2.43 0.04 -0.59 114.38 117.07 1ug0 h ARG 36 Ca 0.44 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.26 1ug0 h ARG 36 Cb 0.48 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.98 1ug0 h ARG 36 CO -0.29 0.00 -2.06 0.34 -1.51 0.00 0.00 179.97 176.46 1ug0 n PHE 37 N -2.74 0.67 0.00 2.20 7.35 0.22 -3.78 117.46 121.38 1ug0 n PHE 37 Ca 0.02 0.20 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 1ug0 n PHE 37 Cb 0.29 -1.11 0.00 0.00 0.35 0.00 0.00 39.48 39.02 1ug0 n PHE 37 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1ug0 n VAL 38 N -3.11 0.00 -0.71 -2.13 0.31 0.50 -2.97 118.33 110.23 1ug0 n VAL 38 Ca -0.29 0.20 0.53 0.00 -0.01 0.00 0.00 64.34 64.78 1ug0 n VAL 38 Cb 1.07 -0.64 0.82 0.00 -0.91 0.00 0.00 33.84 34.18 1ug0 n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ug0 n ALA 39 N -1.16 1.90 0.21 3.52 0.00 -0.24 0.15 120.51 124.88 1ug0 n ALA 39 Ca 0.00 0.65 -0.08 0.00 0.00 0.00 0.00 53.44 54.01 1ug0 n ALA 39 Cb 0.00 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.27 1ug0 n ALA 39 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ug0 h GLU 40 N 0.00 -0.52 0.06 0.00 4.81 -1.65 -3.37 114.58 113.91 1ug0 h GLU 40 Ca 0.94 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 60.20 1ug0 h GLU 40 Cb 3.79 0.12 0.00 0.00 0.63 0.00 0.00 28.75 33.28 1ug0 h GLU 40 CO -0.01 -0.35 -0.03 0.78 -0.73 0.00 0.00 179.01 178.67 1ug0 h GLY 41 N -0.60 -0.08 0.00 1.92 0.00 -0.19 -3.37 103.07 100.74 1ug0 h GLY 41 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1ug0 h GLY 41 CO 0.09 -0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.21 1ug0 n GLY 42 N 1.05 0.57 0.14 4.60 0.00 0.39 -4.56 105.19 107.37 1ug0 n GLY 42 Ca -0.08 -1.45 -0.08 0.00 0.00 0.00 0.00 46.02 44.41 1ug0 n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug0 h PRO 43 N 0.00 0.23 -0.98 1.61 0.13 -1.95 -3.13 132.00 127.91 1ug0 h PRO 43 Ca 0.00 -0.23 0.27 0.00 -0.87 0.00 0.00 66.00 65.17 1ug0 h PRO 43 Cb 0.00 0.06 -0.06 0.00 0.13 0.00 0.00 31.00 31.13 1ug0 h PRO 43 CO 0.00 0.93 0.68 1.49 -0.23 0.00 0.00 178.00 180.87 1ug0 h GLU 44 N 0.14 0.15 0.35 0.86 4.81 -1.94 -1.24 114.58 117.71 1ug0 h GLU 44 Ca -0.04 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1ug0 h GLU 44 Cb 1.41 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.77 1ug0 h GLU 44 CO 0.13 0.10 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.27 1ug0 h LEU 45 N 0.15 -0.40 -1.70 1.64 -0.00 -1.87 -0.66 115.31 112.47 1ug0 h LEU 45 Ca 0.49 0.01 0.52 0.00 -0.00 0.00 0.00 57.88 58.91 1ug0 h LEU 45 Cb 1.68 0.10 -0.11 0.00 -0.00 0.00 0.00 40.66 42.34 1ug0 h LEU 45 CO -0.09 -0.02 1.16 -0.08 -0.00 0.00 0.00 178.44 179.41 1ug0 h GLU 46 N -1.00 0.01 0.05 1.13 4.22 -1.33 1.59 114.58 119.25 1ug0 h GLU 46 Ca -0.05 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.39 1ug0 h GLU 46 Cb 0.36 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1ug0 h GLU 46 CO 0.08 0.00 -0.02 0.87 -2.18 0.00 0.00 179.01 177.76 1ug0 h LYS 47 N 0.01 -0.07 -0.82 1.92 1.57 -1.27 -3.19 116.57 114.72 1ug0 h LYS 47 Ca 0.91 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.82 1ug0 h LYS 47 Cb 3.30 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 35.54 1ug0 h LYS 47 CO -0.23 0.21 0.42 0.28 -0.57 0.00 0.00 179.45 179.56 1ug0 h VAL 48 N -1.00 0.77 -0.50 0.50 2.07 0.16 -0.73 116.25 117.52 1ug0 h VAL 48 Ca -0.01 -0.22 0.10 0.00 0.82 0.00 0.00 66.70 67.39 1ug0 h VAL 48 Cb 0.31 0.08 -0.10 0.00 -1.52 0.00 0.00 31.29 30.05 1ug0 h VAL 48 CO 0.01 0.12 -0.27 0.00 0.02 0.00 0.00 177.57 177.44 1ug0 h ALA 49 N 1.52 0.02 0.00 1.67 0.00 0.19 1.85 119.26 124.52 1ug0 h ALA 49 Ca 0.43 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1ug0 h ALA 49 Cb 0.56 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ug0 h ALA 49 CO -0.33 -0.62 0.20 0.52 0.00 0.00 0.00 179.25 179.01 1ug0 h MET 50 N -0.16 0.00 0.00 0.00 2.07 -1.11 0.24 114.93 115.98 1ug0 h MET 50 Ca 0.22 0.00 -0.12 0.00 -2.07 0.00 0.00 59.70 57.73 1ug0 h MET 50 Cb 0.51 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.22 1ug0 h MET 50 CO -0.59 0.00 -1.38 -1.91 1.07 0.00 0.00 176.91 174.10 1ug0 n GLU 51 N -2.56 0.54 -0.33 1.72 4.07 0.47 -3.21 120.64 121.33 1ug0 n GLU 51 Ca -0.02 0.24 0.18 0.00 -0.06 0.00 0.00 57.16 57.51 1ug0 n GLU 51 Cb 0.24 -1.46 0.42 0.00 -0.06 0.00 0.00 31.44 30.58 1ug0 n GLU 51 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1ug0 h ASP 52 N -1.00 0.61 -0.64 4.31 1.82 0.25 0.48 116.42 122.25 1ug0 h ASP 52 Ca -0.19 0.10 -0.38 0.00 -0.39 0.00 0.00 57.03 56.17 1ug0 h ASP 52 Cb 1.14 0.00 -0.22 0.00 0.68 0.00 0.00 39.33 40.93 1ug0 h ASP 52 CO -0.11 0.14 0.12 -1.22 -1.61 0.00 0.00 179.24 176.56 1ug0 n TYR 53 N -4.75 2.07 -0.64 0.28 4.01 0.83 -4.72 117.16 114.24 1ug0 n TYR 53 Ca 0.25 -1.98 0.49 0.00 -0.16 0.00 0.00 57.90 56.50 1ug0 n TYR 53 Cb 0.75 -0.72 0.76 0.00 -0.31 0.00 0.00 39.34 39.81 1ug0 n TYR 53 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1ug0 n LYS 54 N -1.04 -0.01 -3.70 -0.72 4.81 0.17 -1.20 118.16 116.46 1ug0 n LYS 54 Ca 0.45 1.05 -0.34 0.00 -0.87 0.00 0.00 58.31 58.60 1ug0 n LYS 54 Cb 1.10 -2.36 -0.08 0.00 0.02 0.00 0.00 35.03 33.71 1ug0 n LYS 54 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1ug0 s ASP 55 N -3.94 5.71 -0.24 3.14 1.11 -1.26 -5.01 116.67 116.19 1ug0 s ASP 55 Ca -0.05 -3.76 -0.06 0.00 0.18 0.00 0.00 52.55 48.86 1ug0 s ASP 55 Cb 0.26 -1.84 -0.02 0.00 1.07 0.00 0.00 42.92 42.39 1ug0 s ASP 55 CO 0.83 -0.16 0.03 0.54 1.18 0.00 0.00 175.17 177.60 1ug0 s ASN 56 N -0.48 4.87 -0.06 0.27 6.03 -0.35 -5.01 114.94 120.22 1ug0 s ASN 56 Ca 0.27 -0.26 -0.10 0.00 -1.03 0.00 0.00 52.86 51.74 1ug0 s ASN 56 Cb -0.07 -1.86 -0.05 0.00 -3.03 0.00 0.00 41.25 36.24 1ug0 s ASN 56 CO -0.14 -0.02 0.40 1.55 -2.03 0.00 0.00 177.10 176.86 1ug0 h PRO 57 N 8.14 -0.33 0.00 3.55 0.13 -1.96 -3.32 132.00 138.21 1ug0 h PRO 57 Ca -0.39 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1ug0 h PRO 57 Cb 1.17 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ug0 h PRO 57 CO 0.59 -0.21 -1.34 0.00 -0.23 0.00 0.00 178.00 176.80 1ug0 n ALA 58 N -2.75 3.39 0.09 -0.56 0.00 -1.26 -4.11 120.51 115.31 1ug0 n ALA 58 Ca -0.04 -0.46 -0.08 0.00 0.00 0.00 0.00 53.44 52.86 1ug0 n ALA 58 Cb 0.14 -0.87 0.09 0.00 0.00 0.00 0.00 19.45 18.81 1ug0 n ALA 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ug0 n PHE 59 N -2.03 1.21 0.62 0.00 3.72 -1.26 -4.10 117.46 115.61 1ug0 n PHE 59 Ca 0.00 -0.93 0.11 0.00 -0.05 0.00 0.00 57.45 56.59 1ug0 n PHE 59 Cb 0.47 -0.49 0.45 0.00 -0.94 0.00 0.00 39.48 38.97 1ug0 n PHE 59 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1ug0 n THR 60 N -0.11 0.63 0.30 4.37 -2.24 -1.25 -2.70 114.28 113.28 1ug0 n THR 60 Ca 0.23 0.06 0.09 0.00 -2.27 0.00 0.00 64.05 62.16 1ug0 n THR 60 Cb 0.93 -0.83 0.43 0.00 -2.10 0.00 0.00 70.33 68.76 1ug0 n THR 60 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1ug0 n PHE 61 N -1.89 0.56 0.47 4.78 -1.74 -1.26 -1.76 117.46 116.63 1ug0 n PHE 61 Ca 0.04 0.25 -0.19 0.00 -0.56 0.00 0.00 57.45 56.99 1ug0 n PHE 61 Cb 0.29 -0.90 -0.09 0.00 1.52 0.00 0.00 39.48 40.30 1ug0 n PHE 61 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 1ug0 h LEU 62 N 0.00 -1.02 -0.03 5.98 3.38 -1.87 -3.29 115.31 118.46 1ug0 h LEU 62 Ca 0.00 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1ug0 h LEU 62 Cb 0.20 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1ug0 h LEU 62 CO 0.00 -0.69 -0.16 1.12 0.09 0.00 0.00 178.44 178.79 1ug0 h HIS 63 N -1.28 0.21 -0.88 1.13 2.07 -1.78 -3.39 115.15 111.24 1ug0 h HIS 63 Ca -0.12 -0.10 -0.45 0.00 -2.85 0.00 0.00 60.37 56.85 1ug0 h HIS 63 Cb 0.93 -0.03 -0.07 0.00 2.57 0.00 0.00 27.41 30.81 1ug0 h HIS 63 CO -0.00 0.82 1.16 -0.51 -3.07 0.00 0.00 177.93 176.33 1ug0 s ASP 64 N -6.15 5.81 0.10 3.10 1.01 -0.73 -4.80 116.67 115.01 1ug0 s ASP 64 Ca -0.16 -1.16 -0.27 0.00 0.71 0.00 0.00 52.55 51.67 1ug0 s ASP 64 Cb 0.01 -2.57 -0.11 0.00 1.01 0.00 0.00 42.92 41.27 1ug0 s ASP 64 CO 0.73 -2.15 1.65 0.11 0.21 0.00 0.00 175.17 175.71 1ug0 h LYS 65 N 10.37 -0.46 -3.37 8.23 1.57 -1.76 -2.94 116.57 128.21 1ug0 h LYS 65 Ca 0.17 0.03 -0.71 0.00 -1.87 0.00 0.00 60.65 58.27 1ug0 h LYS 65 Cb 1.00 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.36 1ug0 h LYS 65 CO 1.32 -0.30 3.03 0.09 -0.57 0.00 0.00 179.45 183.02 1ug0 n ASN 66 N -5.36 6.30 0.00 0.86 4.13 -1.26 -4.36 115.26 115.58 1ug0 n ASN 66 Ca -0.08 -2.86 0.00 0.00 1.68 0.00 0.00 54.58 53.33 1ug0 n ASN 66 Cb 0.27 -1.54 0.00 0.00 -1.54 0.00 0.00 39.78 36.96 1ug0 n ASN 66 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1ug0 n SER 67 N 4.17 0.00 0.00 6.41 2.88 -1.11 -5.08 113.62 120.90 1ug0 n SER 67 Ca 0.60 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 1ug0 n SER 67 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 1ug0 n SER 67 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1ug0 n ARG 68 N -0.99 0.00 -0.03 -1.46 0.00 -1.26 -4.94 116.66 107.99 1ug0 n ARG 68 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.78 1ug0 n ARG 68 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 32.46 32.33 1ug0 n ARG 68 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1ug0 n GLU 69 N 0.00 0.64 -0.27 2.89 4.71 -1.26 -3.91 120.64 123.44 1ug0 n GLU 69 Ca 0.00 0.21 -0.07 0.00 -0.01 0.00 0.00 57.16 57.29 1ug0 n GLU 69 Cb 0.00 -1.73 0.05 0.00 -1.01 0.00 0.00 31.44 28.75 1ug0 n GLU 69 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1ug0 h PHE 70 N 0.00 1.16 -0.03 -0.32 3.57 -1.80 0.42 116.94 119.95 1ug0 h PHE 70 Ca -0.31 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 1ug0 h PHE 70 Cb 1.95 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 40.35 1ug0 h PHE 70 CO 0.00 0.91 0.02 -0.07 -2.23 0.00 0.00 178.31 176.94 1ug0 h LEU 71 N 1.08 0.04 -1.18 0.59 -0.00 -1.76 -0.56 115.31 113.51 1ug0 h LEU 71 Ca 0.24 -0.08 -0.02 0.00 -0.00 0.00 0.00 57.88 58.02 1ug0 h LEU 71 Cb 0.28 -0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 40.90 1ug0 h LEU 71 CO -0.01 0.11 0.34 0.22 -0.00 0.00 0.00 178.44 179.10 1ug0 h TYR 72 N -0.04 0.89 0.54 1.13 3.20 -1.63 -1.44 116.97 119.62 1ug0 h TYR 72 Ca 0.01 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1ug0 h TYR 72 Cb 0.08 -0.29 0.01 0.00 1.54 0.00 0.00 36.73 38.07 1ug0 h TYR 72 CO -0.05 0.63 -0.26 -0.92 -1.64 0.00 0.00 178.16 175.93 1ug0 h TYR 73 N 0.91 -0.67 -0.71 -3.82 3.20 -0.49 -1.96 116.97 113.44 1ug0 h TYR 73 Ca 0.23 -0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.29 1ug0 h TYR 73 Cb 0.05 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 1ug0 h TYR 73 CO 0.01 -0.42 0.57 0.00 -1.64 0.00 0.00 178.16 176.68 1ug0 h ARG 74 N -0.79 0.00 0.00 1.82 2.47 -1.07 0.63 114.38 117.43 1ug0 h ARG 74 Ca -0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1ug0 h ARG 74 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1ug0 h ARG 74 CO 0.12 0.00 0.00 0.54 0.56 0.00 0.00 179.97 181.19 1ug0 n ARG 75 N -4.08 0.00 0.22 0.04 3.00 -0.55 -3.23 116.66 112.07 1ug0 n ARG 75 Ca 0.14 0.07 0.18 0.00 -0.01 0.00 0.00 57.85 58.23 1ug0 n ARG 75 Cb 0.83 -0.95 0.83 0.00 0.00 0.00 0.00 32.46 33.17 1ug0 n ARG 75 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1ug0 h LYS 76 N 0.00 0.00 -0.31 5.56 1.79 -1.16 0.26 116.57 122.71 1ug0 h LYS 76 Ca 0.00 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.56 1ug0 h LYS 76 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1ug0 h LYS 76 CO 0.00 0.00 0.45 0.28 -1.08 0.00 0.00 179.45 179.10 1ug0 h VAL 77 N 0.00 0.25 0.00 0.50 2.07 0.30 1.65 116.25 121.01 1ug0 h VAL 77 Ca 0.09 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.44 1ug0 h VAL 77 Cb 0.71 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1ug0 h VAL 77 CO -0.00 0.00 -0.81 0.00 0.02 0.00 0.00 177.57 176.78 1ug0 h ALA 78 N 1.39 0.50 -0.27 1.67 0.00 -0.51 -0.52 119.26 121.52 1ug0 h ALA 78 Ca 0.15 -0.73 -0.17 0.00 0.00 0.00 0.00 54.91 54.15 1ug0 h ALA 78 Cb 1.04 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1ug0 h ALA 78 CO -0.00 0.99 -0.53 1.49 0.00 0.00 0.00 179.25 181.20 1ug0 h GLU 79 N 0.00 0.78 0.10 0.00 4.22 0.24 -2.96 114.58 116.96 1ug0 h GLU 79 Ca -0.02 -0.48 -0.27 0.00 0.08 0.00 0.00 59.36 58.67 1ug0 h GLU 79 Cb 1.61 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.91 1ug0 h GLU 79 CO 0.10 1.11 -1.29 0.97 -2.18 0.00 0.00 179.01 177.72 1ug0 h ILE 80 N 0.60 1.43 -0.36 2.32 -0.00 -1.36 -3.33 117.51 116.82 1ug0 h ILE 80 Ca 0.02 -3.05 0.08 0.00 -0.00 0.00 0.00 64.86 61.91 1ug0 h ILE 80 Cb 1.11 2.87 -0.08 0.00 -0.00 0.00 0.00 36.82 40.72 1ug0 h ILE 80 CO 0.11 0.88 -0.26 0.03 -0.00 0.00 0.00 178.15 178.91 1ug0 h ARG 81 N 0.06 -0.20 0.00 2.19 2.47 -1.05 -3.41 114.38 114.44 1ug0 h ARG 81 Ca -0.15 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 1ug0 h ARG 81 Cb 1.95 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 30.32 1ug0 h ARG 81 CO 0.18 -0.13 0.00 1.63 0.56 0.00 0.00 179.97 182.21 1ug0 n LYS 82 N -5.40 -0.59 -1.80 0.04 4.01 -1.12 -3.21 118.16 110.10 1ug0 n LYS 82 Ca 0.01 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.71 1ug0 n LYS 82 Cb 0.31 0.00 -0.02 0.00 -0.51 0.00 0.00 35.03 34.81 1ug0 n LYS 82 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1ug0 n SER 83 N -1.61 -3.81 -1.83 4.39 7.64 -1.26 -4.17 113.62 112.97 1ug0 n SER 83 Ca 0.00 0.11 -0.01 0.00 1.01 0.00 0.00 58.87 59.98 1ug0 n SER 83 Cb 0.00 -2.69 0.00 0.00 -1.01 0.00 0.00 64.21 60.51 1ug0 n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug0 n GLY 84 N -1.32 -2.23 0.00 0.23 0.00 -1.26 -5.07 105.19 95.53 1ug0 n GLY 84 Ca -0.11 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ug0 n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ug0 n PRO 85 N -0.08 -0.01 -3.66 1.61 -0.04 -1.20 -5.10 135.00 126.52 1ug0 n PRO 85 Ca 0.01 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.40 1ug0 n PRO 85 Cb 0.05 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.43 1ug0 n PRO 85 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ug0 s SER 86 N -1.25 -0.62 0.44 3.54 0.15 -1.26 -5.03 113.70 109.66 1ug0 s SER 86 Ca 0.00 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.83 1ug0 s SER 86 Cb 0.00 1.41 0.00 0.00 -1.71 0.00 0.00 66.02 65.72 1ug0 s SER 86 CO 0.00 -0.22 0.00 -0.24 1.20 0.00 0.00 173.24 173.98 1ug0 n SER 87 N 4.93 -3.87 0.00 5.45 2.88 -1.26 -4.54 113.62 117.21 1ug0 n SER 87 Ca -0.15 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.23 1ug0 n SER 87 Cb 0.52 3.63 0.00 0.00 -0.75 0.00 0.00 64.21 67.62 1ug0 n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42