#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugn s HIS 2 N 0.00 -1.46 -0.56 1.61 5.65 -1.26 -5.08 115.29 114.19 1ugn s HIS 2 Ca 0.00 0.59 0.04 0.00 0.25 0.00 0.00 55.06 55.94 1ugn s HIS 2 Cb 0.00 0.11 0.14 0.00 -1.18 0.00 0.00 32.58 31.65 1ugn s HIS 2 CO 0.00 -1.06 0.31 -0.51 -0.65 0.00 0.00 174.74 172.83 1ugn s LEU 3 N 2.51 4.43 0.39 8.88 1.43 -1.26 -5.09 118.68 129.96 1ugn s LEU 3 Ca 0.11 -3.17 -0.25 0.00 -1.03 0.00 0.00 54.13 49.79 1ugn s LEU 3 Cb -0.10 -1.65 -0.12 0.00 0.03 0.00 0.00 46.19 44.35 1ugn s LEU 3 CO -0.23 -0.21 0.89 -2.65 0.23 0.00 0.00 176.35 174.38 1ugn n PRO 4 N 2.90 1.12 -1.71 1.29 -0.02 -1.26 -4.14 135.00 133.18 1ugn n PRO 4 Ca 0.08 0.40 -0.43 0.00 -2.02 0.00 0.00 63.50 61.53 1ugn n PRO 4 Cb 0.33 -1.85 -0.03 0.00 -0.02 0.00 0.00 33.50 31.92 1ugn n PRO 4 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1ugn n LYS 5 N 0.37 2.56 -1.83 -0.52 4.81 -1.26 -4.76 118.16 117.53 1ugn n LYS 5 Ca 0.10 0.92 -0.31 0.00 -0.87 0.00 0.00 58.31 58.16 1ugn n LYS 5 Cb 0.38 -2.73 0.04 0.00 0.02 0.00 0.00 35.03 32.73 1ugn n LYS 5 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1ugn s PRO 6 N 0.76 3.11 -0.06 1.64 0.04 -1.26 -4.99 135.00 134.24 1ugn s PRO 6 Ca 0.74 0.63 -0.09 0.00 0.04 0.00 0.00 61.00 62.32 1ugn s PRO 6 Cb -0.56 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 31.90 1ugn s PRO 6 CO 0.37 -0.90 0.24 0.95 0.04 0.00 0.00 177.00 177.71 1ugn s THR 7 N -3.24 5.33 -0.08 1.26 -4.23 -0.74 -4.33 115.64 109.61 1ugn s THR 7 Ca 0.57 0.41 0.03 0.00 -1.18 0.00 0.00 61.69 61.52 1ugn s THR 7 Cb -0.12 -3.52 0.01 0.00 1.34 0.00 0.00 72.50 70.21 1ugn s THR 7 CO 0.53 0.57 -0.18 -0.22 -0.54 0.00 0.00 174.62 174.78 1ugn s LEU 8 N -1.15 1.87 0.29 4.79 2.96 -1.26 -1.22 118.68 124.96 1ugn s LEU 8 Ca 0.20 -0.43 -0.05 0.00 -0.22 0.00 0.00 54.13 53.63 1ugn s LEU 8 Cb -0.14 -1.11 -0.01 0.00 0.50 0.00 0.00 46.19 45.43 1ugn s LEU 8 CO 0.09 0.10 0.41 -1.66 -1.32 0.00 0.00 176.35 173.97 1ugn s TRP 9 N 0.46 0.88 0.05 5.38 -2.14 -0.44 -4.91 118.94 118.23 1ugn s TRP 9 Ca -0.16 -1.14 0.05 0.00 2.66 0.00 0.00 56.10 57.50 1ugn s TRP 9 Cb -0.17 -0.10 -0.02 0.00 -3.10 0.00 0.00 33.47 30.08 1ugn s TRP 9 CO 0.06 -1.00 -0.13 0.00 -2.66 0.00 0.00 176.95 173.22 1ugn s ALA 10 N -3.55 1.11 -0.09 2.67 0.00 -1.26 0.10 121.76 120.73 1ugn s ALA 10 Ca 0.30 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.45 1ugn s ALA 10 Cb 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1ugn s ALA 10 CO 0.16 0.19 -0.22 -1.21 0.00 0.00 0.00 175.76 174.67 1ugn s GLU 11 N -1.28 2.77 0.34 0.00 2.02 -0.08 -2.62 118.70 119.85 1ugn s GLU 11 Ca -0.00 -0.80 0.27 0.00 0.02 0.00 0.00 54.97 54.46 1ugn s GLU 11 Cb -0.08 -2.13 1.01 0.00 0.10 0.00 0.00 34.13 33.03 1ugn s GLU 11 CO 0.01 0.17 1.79 -1.00 0.02 0.00 0.00 175.26 176.25 1ugn h PRO 12 N 6.71 0.00 0.00 0.39 0.13 -1.87 -0.11 132.00 137.25 1ugn h PRO 12 Ca -0.22 0.00 0.30 0.00 -0.87 0.00 0.00 66.00 65.21 1ugn h PRO 12 Cb 1.23 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 1ugn h PRO 12 CO 0.47 0.00 0.77 0.41 -0.23 0.00 0.00 178.00 179.42 1ugn n GLY 13 N 0.29 0.23 0.25 1.56 0.00 -1.08 -5.02 105.19 101.43 1ugn n GLY 13 Ca 0.02 -0.99 0.13 0.00 0.00 0.00 0.00 46.02 45.18 1ugn n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ugn n SER 14 N -0.87 1.11 -4.11 1.61 3.41 -1.26 -4.66 113.62 108.85 1ugn n SER 14 Ca 0.04 -0.92 -0.34 0.00 -0.26 0.00 0.00 58.87 57.39 1ugn n SER 14 Cb 0.47 0.21 -0.14 0.00 -0.26 0.00 0.00 64.21 64.49 1ugn n SER 14 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ugn s VAL 15 N -2.55 2.79 -0.00 -3.33 1.01 -1.26 -1.06 120.40 116.00 1ugn s VAL 15 Ca 0.22 -1.76 0.07 0.00 0.00 0.00 0.00 61.98 60.51 1ugn s VAL 15 Cb 0.19 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1ugn s VAL 15 CO 0.55 -0.32 -0.23 -0.63 0.00 0.00 0.00 175.10 174.46 1ugn s ILE 16 N 1.14 2.35 0.25 2.22 -1.09 -0.53 -4.98 121.20 120.55 1ugn s ILE 16 Ca 0.00 -1.13 -0.30 0.00 -2.23 0.00 0.00 60.65 57.00 1ugn s ILE 16 Cb -0.20 -1.88 -0.09 0.00 -1.58 0.00 0.00 42.46 38.70 1ugn s ILE 16 CO -0.04 0.50 1.06 0.42 -1.23 0.00 0.00 174.94 175.65 1ugn s THR 17 N -0.72 3.69 0.18 2.92 -4.23 -1.26 -0.57 115.64 115.65 1ugn s THR 17 Ca 0.11 1.67 -0.32 0.00 -1.18 0.00 0.00 61.69 61.97 1ugn s THR 17 Cb -0.10 -4.06 -0.16 0.00 1.34 0.00 0.00 72.50 69.52 1ugn s THR 17 CO 0.01 0.38 1.05 1.67 -0.54 0.00 0.00 174.62 177.19 1ugn n GLN 18 N 1.45 0.97 0.00 3.99 0.00 -0.58 -1.51 117.38 121.70 1ugn n GLN 18 Ca -0.01 0.34 0.00 0.00 -0.00 0.00 0.00 57.00 57.34 1ugn n GLN 18 Cb 0.46 -1.76 0.00 0.00 0.00 0.00 0.00 30.24 28.93 1ugn n GLN 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ugn n GLY 19 N 1.85 2.61 3.88 1.69 0.00 0.28 -4.97 105.19 110.53 1ugn n GLY 19 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1ugn n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ugn s SER 20 N -2.05 6.43 0.52 1.61 0.01 -0.57 -4.25 113.70 115.41 1ugn s SER 20 Ca 0.00 1.16 -0.14 0.00 1.31 0.00 0.00 55.95 58.28 1ugn s SER 20 Cb 0.00 -2.34 -0.07 0.00 0.21 0.00 0.00 66.02 63.82 1ugn s SER 20 CO 0.00 -0.52 0.96 -2.16 0.41 0.00 0.00 173.24 171.93 1ugn s PRO 21 N -4.25 3.84 -0.17 12.44 0.04 -1.21 -1.39 135.00 144.30 1ugn s PRO 21 Ca 0.51 0.81 -0.20 0.00 0.04 0.00 0.00 61.00 62.17 1ugn s PRO 21 Cb -0.10 -2.17 0.05 0.00 0.04 0.00 0.00 34.50 32.32 1ugn s PRO 21 CO 0.37 -0.29 0.54 0.54 0.04 0.00 0.00 177.00 178.20 1ugn s VAL 22 N -2.70 0.01 -0.15 -0.36 0.11 -0.39 -4.63 120.40 112.28 1ugn s VAL 22 Ca 0.57 -0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.58 1ugn s VAL 22 Cb -0.10 -0.78 0.02 0.00 -1.53 0.00 0.00 36.38 33.99 1ugn s VAL 22 CO 0.36 -0.03 -0.16 -0.89 -3.33 0.00 0.00 175.10 171.06 1ugn s THR 23 N -0.04 1.71 0.20 5.04 2.01 -0.05 -0.18 115.64 124.32 1ugn s THR 23 Ca -0.03 -0.73 -0.24 0.00 0.31 0.00 0.00 61.69 61.00 1ugn s THR 23 Cb -0.04 -1.57 -0.08 0.00 0.01 0.00 0.00 72.50 70.82 1ugn s THR 23 CO 0.02 0.48 0.80 -0.76 -0.69 0.00 0.00 174.62 174.47 1ugn s LEU 24 N 1.32 4.51 -0.00 4.42 1.43 -0.65 -0.90 118.68 128.81 1ugn s LEU 24 Ca 0.02 1.64 0.04 0.00 -1.03 0.00 0.00 54.13 54.80 1ugn s LEU 24 Cb -0.13 -3.47 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 1ugn s LEU 24 CO -0.09 0.13 -0.12 -0.13 0.23 0.00 0.00 176.35 176.37 1ugn s ARG 25 N -1.45 0.93 -0.04 1.70 1.81 0.12 -1.48 118.95 120.54 1ugn s ARG 25 Ca 0.39 -0.47 0.04 0.00 -1.72 0.00 0.00 55.73 53.97 1ugn s ARG 25 Cb -0.21 -0.90 0.00 0.00 -0.45 0.00 0.00 34.95 33.38 1ugn s ARG 25 CO 0.25 0.24 -0.15 0.00 -0.68 0.00 0.00 175.30 174.97 1ugn s GLN 27 N 0.16 1.84 0.00 0.00 2.00 -0.36 -4.50 119.66 118.81 1ugn s GLN 27 Ca -0.05 -0.97 0.00 0.00 -2.00 0.00 0.00 55.36 52.33 1ugn s GLN 27 Cb -0.12 -2.55 0.00 0.00 0.80 0.00 0.00 33.01 31.14 1ugn s GLN 27 CO 0.02 -0.53 0.00 0.41 -0.50 0.00 0.00 175.29 174.69 1ugn n GLY 28 N 4.65 0.95 3.85 2.59 0.00 -1.26 -1.79 105.19 114.19 1ugn n GLY 28 Ca -0.13 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 1ugn n GLY 28 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ugn s GLY 29 N 0.00 1.59 0.53 -0.02 0.00 -1.26 -4.93 107.32 103.23 1ugn s GLY 29 Ca 0.00 -0.52 0.18 0.00 0.00 0.00 0.00 44.72 44.38 1ugn s GLY 29 CO 0.00 -0.04 2.14 -1.61 0.00 0.00 0.00 173.10 173.59 1ugn h GLN 30 N -1.14 0.00 -0.22 2.90 4.15 -2.04 -2.50 115.11 116.26 1ugn h GLN 30 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.95 1ugn h GLN 30 Cb 1.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.00 1ugn h GLN 30 CO 0.64 0.00 0.00 0.39 -1.93 0.00 0.00 178.83 177.93 1ugn n GLU 31 N -4.47 1.90 -1.79 1.69 1.02 -1.26 -5.02 120.64 112.70 1ugn n GLU 31 Ca -0.01 -1.73 -0.41 0.00 -0.02 0.00 0.00 57.16 54.98 1ugn n GLU 31 Cb 0.15 -1.28 -0.01 0.00 -0.02 0.00 0.00 31.44 30.28 1ugn n GLU 31 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1ugn s THR 32 N -1.03 2.07 0.00 2.62 2.01 -0.94 -4.88 115.64 115.49 1ugn s THR 32 Ca 0.21 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1ugn s THR 32 Cb 0.12 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.59 1ugn s THR 32 CO 0.17 0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.11 1ugn n GLN 33 N 1.59 2.48 -1.33 4.92 6.02 -1.26 -4.87 117.38 124.93 1ugn n GLN 33 Ca 0.06 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.71 1ugn n GLN 33 Cb 0.38 -0.62 -0.05 0.00 1.02 0.00 0.00 30.24 30.96 1ugn n GLN 33 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1ugn n GLU 34 N -0.66 3.46 -2.52 -1.09 4.71 -1.26 -3.98 120.64 119.30 1ugn n GLU 34 Ca 0.00 -2.12 -0.38 0.00 -0.01 0.00 0.00 57.16 54.65 1ugn n GLU 34 Cb 0.07 -2.62 -0.04 0.00 -1.01 0.00 0.00 31.44 27.84 1ugn n GLU 34 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1ugn s TYR 35 N 1.52 3.40 -0.04 -0.32 1.51 -1.26 -0.75 117.35 121.42 1ugn s TYR 35 Ca 0.68 1.67 0.01 0.00 -1.01 0.00 0.00 57.07 58.42 1ugn s TYR 35 Cb 0.21 -3.18 0.02 0.00 -0.11 0.00 0.00 41.96 38.91 1ugn s TYR 35 CO -0.06 -0.56 -0.02 1.03 -1.11 0.00 0.00 175.55 174.83 1ugn s ARG 36 N -2.07 0.55 0.05 -0.62 0.52 0.41 -4.93 118.95 112.86 1ugn s ARG 36 Ca 0.52 -0.01 0.09 0.00 -0.52 0.00 0.00 55.73 55.82 1ugn s ARG 36 Cb -0.26 -0.66 -0.03 0.00 0.52 0.00 0.00 34.95 34.53 1ugn s ARG 36 CO 0.33 -0.11 -0.25 -1.17 0.02 0.00 0.00 175.30 174.11 1ugn s LEU 37 N 0.99 2.18 0.10 2.53 2.96 -1.26 -1.20 118.68 124.98 1ugn s LEU 37 Ca -0.10 -0.59 -0.18 0.00 -0.22 0.00 0.00 54.13 53.04 1ugn s LEU 37 Cb -0.14 -1.20 0.04 0.00 0.50 0.00 0.00 46.19 45.39 1ugn s LEU 37 CO -0.01 0.23 0.44 -0.72 -1.32 0.00 0.00 176.35 174.97 1ugn s TYR 38 N -0.82 -0.29 -0.10 5.38 -0.85 -0.68 -5.02 117.35 114.96 1ugn s TYR 38 Ca 0.11 0.09 -0.04 0.00 -0.52 0.00 0.00 57.07 56.70 1ugn s TYR 38 Cb -0.10 0.30 -0.04 0.00 0.38 0.00 0.00 41.96 42.51 1ugn s TYR 38 CO 0.02 -0.69 0.06 0.50 -1.52 0.00 0.00 175.55 173.92 1ugn s ARG 39 N -3.36 3.20 0.47 -3.49 3.52 -1.26 -1.90 118.95 116.12 1ugn s ARG 39 Ca 0.00 -0.30 -0.22 0.00 -0.13 0.00 0.00 55.73 55.08 1ugn s ARG 39 Cb 0.01 -2.96 -0.08 0.00 -1.56 0.00 0.00 34.95 30.36 1ugn s ARG 39 CO -0.09 0.71 1.09 -1.21 -0.81 0.00 0.00 175.30 174.99 1ugn s GLU 40 N -0.87 3.79 0.00 5.12 2.02 0.60 -4.15 118.70 125.21 1ugn s GLU 40 Ca 0.13 1.57 0.00 0.00 0.02 0.00 0.00 54.97 56.69 1ugn s GLU 40 Cb -0.12 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.83 1ugn s GLU 40 CO 0.03 -0.47 0.00 1.63 0.02 0.00 0.00 175.26 176.47 1ugn n LYS 41 N -0.67 0.00 -4.14 1.61 4.76 -1.26 -4.71 118.16 113.76 1ugn n LYS 41 Ca 0.08 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.30 1ugn n LYS 41 Cb 0.50 -0.14 -0.17 0.00 -1.84 0.00 0.00 35.03 33.39 1ugn n LYS 41 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1ugn s LYS 42 N 0.00 1.01 0.56 1.97 2.20 -1.26 -5.12 119.74 119.10 1ugn s LYS 42 Ca 0.00 -0.14 -0.21 0.00 -0.36 0.00 0.00 55.97 55.26 1ugn s LYS 42 Cb 0.00 -1.03 -0.04 0.00 -1.51 0.00 0.00 37.83 35.24 1ugn s LYS 42 CO 0.00 -0.12 1.36 0.95 -0.36 0.00 0.00 175.35 177.18 1ugn s THR 43 N 1.14 2.03 -0.47 3.43 -4.23 -1.26 -4.54 115.64 111.74 1ugn s THR 43 Ca -0.07 0.03 -0.04 0.00 -1.18 0.00 0.00 61.69 60.42 1ugn s THR 43 Cb -0.14 -3.01 0.12 0.00 1.34 0.00 0.00 72.50 70.81 1ugn s THR 43 CO -0.01 -0.00 0.29 0.00 -0.54 0.00 0.00 174.62 174.36 1ugn s ALA 44 N -1.31 3.31 0.54 3.99 0.00 -1.26 -4.97 121.76 122.06 1ugn s ALA 44 Ca 0.73 -2.70 0.26 0.00 0.00 0.00 0.00 51.96 50.25 1ugn s ALA 44 Cb -0.40 -2.57 1.43 0.00 0.00 0.00 0.00 23.12 21.58 1ugn s ALA 44 CO 0.47 -1.90 1.99 -1.35 0.00 0.00 0.00 175.76 174.97 1ugn h PRO 45 N 7.91 0.00 -0.03 0.00 0.11 -1.97 -2.07 132.00 135.96 1ugn h PRO 45 Ca -0.12 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.00 1ugn h PRO 45 Cb 1.03 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1ugn h PRO 45 CO 0.74 0.00 0.02 0.11 -0.21 0.00 0.00 178.00 178.66 1ugn h TRP 46 N 0.00 0.00 -0.51 0.65 5.08 -1.98 -2.07 115.95 117.11 1ugn h TRP 46 Ca 0.25 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 60.11 1ugn h TRP 46 Cb 1.04 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.19 1ugn h TRP 46 CO 0.00 0.00 -0.10 0.82 -1.28 0.00 0.00 178.44 177.88 1ugn h ILE 47 N 0.00 1.26 0.00 0.12 2.04 -1.77 -2.43 117.51 116.74 1ugn h ILE 47 Ca 0.01 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.65 1ugn h ILE 47 Cb 0.05 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1ugn h ILE 47 CO -0.00 0.43 0.00 0.71 0.00 0.00 0.00 178.15 179.29 1ugn h THR 48 N 0.85 0.00 0.00 -0.27 1.35 -1.53 -1.73 112.91 111.58 1ugn h THR 48 Ca 0.14 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1ugn h THR 48 Cb 0.63 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1ugn h THR 48 CO 0.04 0.00 -0.24 0.54 -0.25 0.00 0.00 175.52 175.61 1ugn n ARG 49 N -2.46 0.27 -2.13 4.72 1.74 -0.91 -4.89 116.66 112.99 1ugn n ARG 49 Ca -0.00 0.16 -0.42 0.00 -0.77 0.00 0.00 57.85 56.82 1ugn n ARG 49 Cb 0.14 -1.76 -0.03 0.00 -1.02 0.00 0.00 32.46 29.80 1ugn n ARG 49 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ugn s ILE 50 N -3.12 3.32 0.37 0.55 -1.09 -0.65 -4.97 121.20 115.61 1ugn s ILE 50 Ca 0.09 0.87 -0.28 0.00 -2.23 0.00 0.00 60.65 59.11 1ugn s ILE 50 Cb 0.13 -3.56 -0.11 0.00 -1.58 0.00 0.00 42.46 37.33 1ugn s ILE 50 CO 0.64 0.04 1.38 -2.65 -1.23 0.00 0.00 174.94 173.12 1ugn n PRO 51 N 4.60 2.35 0.10 2.79 -0.02 -1.26 -4.80 135.00 138.75 1ugn n PRO 51 Ca 0.13 0.82 0.10 0.00 -2.02 0.00 0.00 63.50 62.53 1ugn n PRO 51 Cb 0.42 -2.49 0.59 0.00 -0.02 0.00 0.00 33.50 32.00 1ugn n PRO 51 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1ugn h GLN 52 N 2.66 0.17 -0.48 -0.52 5.75 -1.98 -0.47 115.11 120.25 1ugn h GLN 52 Ca -0.48 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.02 1ugn h GLN 52 Cb 1.27 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.75 1ugn h GLN 52 CO 0.63 0.11 0.32 0.93 -2.65 0.00 0.00 178.83 178.17 1ugn h GLU 53 N 0.17 0.60 0.17 1.69 3.07 -1.99 -1.05 114.58 117.25 1ugn h GLU 53 Ca 0.12 -0.04 -0.34 0.00 -0.50 0.00 0.00 59.36 58.61 1ugn h GLU 53 Cb 0.27 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1ugn h GLU 53 CO -0.02 0.40 -1.70 -0.07 -1.40 0.00 0.00 179.01 176.22 1ugn h LEU 54 N 0.62 0.57 -0.82 1.33 3.38 -1.42 -3.35 115.31 115.62 1ugn h LEU 54 Ca 0.18 -0.84 0.06 0.00 0.09 0.00 0.00 57.88 57.37 1ugn h LEU 54 Cb -0.03 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.47 1ugn h LEU 54 CO -0.04 1.71 0.50 0.58 0.09 0.00 0.00 178.44 181.28 1ugn h VAL 55 N 0.10 1.03 0.00 1.22 2.07 -0.87 -0.32 116.25 119.49 1ugn h VAL 55 Ca -0.32 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 1ugn h VAL 55 Cb 2.09 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1ugn h VAL 55 CO 0.18 0.17 -0.01 0.11 0.02 0.00 0.00 177.57 178.04 1ugn h LYS 56 N 0.92 0.00 -0.58 1.57 1.57 -1.33 0.63 116.57 119.35 1ugn h LYS 56 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1ugn h LYS 56 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1ugn h LYS 56 CO -0.17 0.01 0.00 1.63 -0.57 0.00 0.00 179.45 180.34 1ugn n LYS 57 N -3.14 2.63 -2.44 3.15 5.02 -0.42 -4.44 118.16 118.52 1ugn n LYS 57 Ca -0.02 -2.47 -0.14 0.00 -2.02 0.00 0.00 58.31 53.66 1ugn n LYS 57 Cb 0.14 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1ugn n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ugn n GLY 58 N 1.50 -0.14 3.32 0.72 0.00 0.21 -4.85 105.19 105.97 1ugn n GLY 58 Ca 0.22 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1ugn n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ugn s GLN 59 N -4.89 3.34 -0.51 1.61 -0.21 -0.26 -1.75 119.66 116.98 1ugn s GLN 59 Ca 0.07 -0.69 0.04 0.00 0.02 0.00 0.00 55.36 54.80 1ugn s GLN 59 Cb -0.03 -2.72 0.16 0.00 1.00 0.00 0.00 33.01 31.42 1ugn s GLN 59 CO 0.09 0.06 0.37 -0.06 -2.12 0.00 0.00 175.29 173.63 1ugn s PHE 60 N 0.76 2.04 0.34 0.91 0.40 -0.55 -3.72 117.98 118.17 1ugn s PHE 60 Ca -0.05 -2.65 -0.26 0.00 -0.60 0.00 0.00 56.93 53.37 1ugn s PHE 60 Cb -0.15 -1.67 -0.09 0.00 0.51 0.00 0.00 43.02 41.62 1ugn s PHE 60 CO 0.01 -0.73 1.01 -1.25 0.70 0.00 0.00 175.22 174.96 1ugn s PRO 61 N -0.37 4.45 -0.32 0.24 0.04 -1.26 -1.64 135.00 136.13 1ugn s PRO 61 Ca 0.27 1.48 0.02 0.00 0.04 0.00 0.00 61.00 62.81 1ugn s PRO 61 Cb -0.04 -2.79 0.10 0.00 0.04 0.00 0.00 34.50 31.81 1ugn s PRO 61 CO -0.15 0.12 0.07 0.42 0.04 0.00 0.00 177.00 177.50 1ugn s ILE 62 N -1.54 1.59 0.35 0.56 1.01 0.74 -4.98 121.20 118.94 1ugn s ILE 62 Ca 0.52 -1.87 0.08 0.00 0.00 0.00 0.00 60.65 59.38 1ugn s ILE 62 Cb -0.22 -2.18 0.32 0.00 0.01 0.00 0.00 42.46 40.38 1ugn s ILE 62 CO 0.28 -0.63 1.88 -0.65 0.00 0.00 0.00 174.94 175.83 1ugn h PRO 63 N 7.85 0.70 -1.99 2.79 0.11 -1.91 -1.03 132.00 138.52 1ugn h PRO 63 Ca -0.09 -0.04 -0.27 0.00 0.11 0.00 0.00 66.00 65.71 1ugn h PRO 63 Cb 1.02 -0.16 -0.31 0.00 0.11 0.00 0.00 31.00 31.66 1ugn h PRO 63 CO 0.49 0.46 -0.59 0.45 -0.21 0.00 0.00 178.00 178.61 1ugn s SER 64 N -5.85 1.12 0.38 -2.05 0.15 -1.26 -3.31 113.70 102.88 1ugn s SER 64 Ca -0.10 -0.54 -0.27 0.00 0.70 0.00 0.00 55.95 55.74 1ugn s SER 64 Cb 0.21 0.75 -0.09 0.00 -1.71 0.00 0.00 66.02 65.19 1ugn s SER 64 CO 0.79 -0.37 1.26 -0.51 1.20 0.00 0.00 173.24 175.61 1ugn s ILE 65 N 2.44 2.80 0.32 6.45 2.07 -0.49 -4.78 121.20 130.01 1ugn s ILE 65 Ca 0.10 0.73 0.03 0.00 -1.41 0.00 0.00 60.65 60.10 1ugn s ILE 65 Cb -0.14 -3.44 -0.05 0.00 0.13 0.00 0.00 42.46 38.97 1ugn s ILE 65 CO -0.30 0.12 0.11 0.42 -1.91 0.00 0.00 174.94 173.38 1ugn s THR 66 N -1.26 0.67 0.45 4.00 -4.23 -1.26 -0.56 115.64 113.45 1ugn s THR 66 Ca 0.54 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.23 1ugn s THR 66 Cb -0.36 -2.59 0.36 0.00 1.34 0.00 0.00 72.50 71.24 1ugn s THR 66 CO 0.47 0.00 1.95 -0.50 -0.54 0.00 0.00 174.62 176.00 1ugn h TRP 67 N 2.16 0.37 0.00 3.99 4.06 -1.98 -1.35 115.95 123.20 1ugn h TRP 67 Ca -0.37 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.57 1ugn h TRP 67 Cb 1.25 -0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 29.29 1ugn h TRP 67 CO 0.83 0.15 -0.10 1.49 -3.56 0.00 0.00 178.44 177.25 1ugn h GLU 68 N 0.33 0.00 0.00 0.49 4.57 -2.01 -3.02 114.58 114.94 1ugn h GLU 68 Ca 0.33 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.46 1ugn h GLU 68 Cb 0.83 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.41 1ugn h GLU 68 CO -0.09 0.10 -0.23 0.45 -1.18 0.00 0.00 179.01 178.06 1ugn h HIS 69 N 0.00 0.00 -4.02 0.92 3.86 -1.65 -3.47 115.15 110.79 1ugn h HIS 69 Ca -0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 1ugn h HIS 69 Cb 0.25 0.00 0.17 0.00 1.06 0.00 0.00 27.41 28.89 1ugn h HIS 69 CO 0.00 0.23 0.38 0.25 0.86 0.00 0.00 177.93 179.65 1ugn n THR 70 N -3.19 3.96 -0.59 2.45 -2.24 -1.14 -4.95 114.28 108.58 1ugn n THR 70 Ca 0.02 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1ugn n THR 70 Cb 0.58 -1.34 0.00 0.00 -2.10 0.00 0.00 70.33 67.47 1ugn n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ugn n GLY 71 N 0.92 -1.14 3.60 3.38 0.00 -0.80 -5.00 105.19 106.15 1ugn n GLY 71 Ca 0.15 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.24 1ugn n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ugn s ARG 72 N -1.70 3.96 0.21 1.61 3.52 -1.26 -0.73 118.95 124.55 1ugn s ARG 72 Ca 0.00 -0.32 0.10 0.00 -0.13 0.00 0.00 55.73 55.37 1ugn s ARG 72 Cb 0.00 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 1ugn s ARG 72 CO 0.00 -0.08 -0.10 0.71 -0.81 0.00 0.00 175.30 175.01 1ugn s TYR 73 N 1.46 2.58 0.04 5.12 1.51 0.47 -0.29 117.35 128.23 1ugn s TYR 73 Ca 0.07 -0.25 -0.11 0.00 -1.01 0.00 0.00 57.07 55.78 1ugn s TYR 73 Cb -0.15 -1.23 0.01 0.00 -0.11 0.00 0.00 41.96 40.48 1ugn s TYR 73 CO 0.08 0.55 0.23 1.03 -1.11 0.00 0.00 175.55 176.32 1ugn s ARG 74 N -3.03 0.72 0.09 -0.62 0.52 -0.80 -0.37 118.95 115.45 1ugn s ARG 74 Ca 0.26 -0.58 0.02 0.00 -0.52 0.00 0.00 55.73 54.91 1ugn s ARG 74 Cb -0.08 0.30 -0.04 0.00 0.52 0.00 0.00 34.95 35.66 1ugn s ARG 74 CO 0.15 -0.21 -0.08 0.00 0.02 0.00 0.00 175.30 175.18 1ugn s TYR 76 N -2.91 0.57 0.06 0.00 -0.85 -0.34 0.05 117.35 113.92 1ugn s TYR 76 Ca 0.06 -0.96 0.01 0.00 -0.52 0.00 0.00 57.07 55.66 1ugn s TYR 76 Cb 0.00 0.26 -0.03 0.00 0.38 0.00 0.00 41.96 42.57 1ugn s TYR 76 CO -0.03 -1.20 -0.05 1.52 -1.52 0.00 0.00 175.55 174.27 1ugn s TYR 77 N -3.21 0.62 0.00 -3.49 -0.85 -1.26 -0.45 117.35 108.72 1ugn s TYR 77 Ca 0.24 -0.80 0.00 0.00 -0.52 0.00 0.00 57.07 55.98 1ugn s TYR 77 Cb -0.02 -0.40 0.00 0.00 0.38 0.00 0.00 41.96 41.92 1ugn s TYR 77 CO 0.14 -0.21 0.00 0.41 -1.52 0.00 0.00 175.55 174.37 1ugn n GLY 78 N 0.62 -1.57 3.68 5.49 0.00 0.07 -1.52 105.19 111.96 1ugn n GLY 78 Ca -0.17 -1.86 -0.09 0.00 0.00 0.00 0.00 46.02 43.90 1ugn n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ugn s SER 79 N -4.00 -0.01 0.13 1.61 1.04 -0.78 -4.86 113.70 106.83 1ugn s SER 79 Ca 0.00 -0.93 -0.17 0.00 0.48 0.00 0.00 55.95 55.33 1ugn s SER 79 Cb 0.00 0.67 -0.01 0.00 0.10 0.00 0.00 66.02 66.77 1ugn s SER 79 CO 0.00 -1.29 1.71 0.44 0.98 0.00 0.00 173.24 175.08 1ugn h ASP 80 N 2.14 0.47 0.12 7.02 3.32 -1.97 0.37 116.42 127.90 1ugn h ASP 80 Ca -0.25 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 1ugn h ASP 80 Cb 1.25 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1ugn h ASP 80 CO 0.33 0.46 -0.06 0.74 -1.72 0.00 0.00 179.24 178.99 1ugn h THR 81 N 0.45 0.88 0.00 0.35 2.02 -2.04 -3.16 112.91 111.41 1ugn h THR 81 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.31 1ugn h THR 81 Cb 0.11 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1ugn h THR 81 CO -0.02 0.00 -0.60 0.00 0.37 0.00 0.00 175.52 175.27 1ugn h ALA 82 N 0.71 0.62 0.00 6.16 0.00 -1.95 -3.49 119.26 121.30 1ugn h ALA 82 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ugn h ALA 82 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ugn h ALA 82 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1ugn n GLY 83 N 1.30 2.78 3.19 0.00 0.00 0.13 -4.85 105.19 107.74 1ugn n GLY 83 Ca 0.03 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 1ugn n GLY 83 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ugn s ARG 84 N -5.11 0.88 0.73 1.61 1.70 -1.00 -1.86 118.95 115.90 1ugn s ARG 84 Ca 0.00 -1.29 -0.09 0.00 -0.47 0.00 0.00 55.73 53.88 1ugn s ARG 84 Cb 0.00 -0.41 0.06 0.00 -0.57 0.00 0.00 34.95 34.02 1ugn s ARG 84 CO 0.00 0.04 1.07 -1.54 -1.08 0.00 0.00 175.30 173.78 1ugn s SER 85 N -2.84 4.86 0.83 -2.89 1.04 -0.58 -4.85 113.70 109.27 1ugn s SER 85 Ca 0.10 0.67 -0.11 0.00 0.48 0.00 0.00 55.95 57.09 1ugn s SER 85 Cb 0.02 -1.32 0.09 0.00 0.10 0.00 0.00 66.02 64.90 1ugn s SER 85 CO -0.02 -1.62 1.09 -1.61 0.98 0.00 0.00 173.24 172.07 1ugn s GLU 86 N -5.34 1.83 0.41 4.02 2.02 -1.26 -4.63 118.70 115.75 1ugn s GLU 86 Ca 0.60 0.85 -0.23 0.00 0.02 0.00 0.00 54.97 56.21 1ugn s GLU 86 Cb -0.11 -1.87 -0.09 0.00 0.10 0.00 0.00 34.13 32.16 1ugn s GLU 86 CO 0.47 -1.85 1.02 -1.12 0.02 0.00 0.00 175.26 173.79 1ugn s SER 87 N -3.58 6.79 1.08 -0.19 0.01 -1.26 -4.38 113.70 112.17 1ugn s SER 87 Ca 0.62 1.93 -0.12 0.00 1.31 0.00 0.00 55.95 59.68 1ugn s SER 87 Cb -0.16 -2.57 0.24 0.00 0.21 0.00 0.00 66.02 63.73 1ugn s SER 87 CO 0.56 -0.46 1.06 -0.94 0.41 0.00 0.00 173.24 173.86 1ugn s SER 88 N -1.75 1.74 0.70 2.44 1.04 0.11 -4.84 113.70 113.13 1ugn s SER 88 Ca 0.59 1.47 -0.16 0.00 0.48 0.00 0.00 55.95 58.34 1ugn s SER 88 Cb -0.18 -2.19 0.02 0.00 0.10 0.00 0.00 66.02 63.77 1ugn s SER 88 CO 0.23 -3.72 1.19 -1.81 0.98 0.00 0.00 173.24 170.11 1ugn s ASP 89 N -2.86 4.49 0.45 7.02 1.01 -1.26 -4.63 116.67 120.89 1ugn s ASP 89 Ca 0.67 2.31 -0.23 0.00 0.71 0.00 0.00 52.55 56.01 1ugn s ASP 89 Cb -0.22 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.04 1ugn s ASP 89 CO 0.62 -2.06 1.10 -2.16 0.21 0.00 0.00 175.17 172.88 1ugn s PRO 90 N -3.85 3.86 -0.16 8.23 0.04 -1.26 -4.72 135.00 137.13 1ugn s PRO 90 Ca 0.74 1.61 0.02 0.00 0.04 0.00 0.00 61.00 63.40 1ugn s PRO 90 Cb -0.28 -2.36 0.02 0.00 0.04 0.00 0.00 34.50 31.91 1ugn s PRO 90 CO 0.43 -0.43 -0.21 -1.17 0.04 0.00 0.00 177.00 175.66 1ugn s LEU 91 N -3.05 2.13 -0.51 -3.56 0.20 0.50 -4.93 118.68 109.46 1ugn s LEU 91 Ca 0.63 -0.63 -0.20 0.00 0.69 0.00 0.00 54.13 54.63 1ugn s LEU 91 Cb -0.24 -1.47 0.05 0.00 -0.43 0.00 0.00 46.19 44.10 1ugn s LEU 91 CO 0.29 0.04 0.66 -1.61 -0.29 0.00 0.00 176.35 175.44 1ugn s GLU 92 N 1.08 3.15 -0.31 1.98 2.02 -1.26 -0.40 118.70 124.96 1ugn s GLU 92 Ca -0.00 -0.80 -0.24 0.00 0.02 0.00 0.00 54.97 53.95 1ugn s GLU 92 Cb -0.14 -4.08 0.00 0.00 0.10 0.00 0.00 34.13 30.01 1ugn s GLU 92 CO -0.08 -1.23 0.81 -1.17 0.02 0.00 0.00 175.26 173.60 1ugn s LEU 93 N 2.77 4.08 0.06 1.80 2.96 0.09 -4.75 118.68 125.69 1ugn s LEU 93 Ca 0.17 0.66 0.09 0.00 -0.22 0.00 0.00 54.13 54.84 1ugn s LEU 93 Cb -0.18 -3.11 -0.03 0.00 0.50 0.00 0.00 46.19 43.37 1ugn s LEU 93 CO 0.13 -0.65 -0.25 -0.69 -1.32 0.00 0.00 176.35 173.58 1ugn s VAL 94 N 3.02 2.30 -0.10 1.68 1.01 -0.22 -1.91 120.40 126.19 1ugn s VAL 94 Ca 0.33 -1.41 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1ugn s VAL 94 Cb -0.14 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 1ugn s VAL 94 CO 0.13 0.31 -0.14 -0.69 0.00 0.00 0.00 175.10 174.72 1ugn s VAL 95 N -0.87 3.03 0.29 2.92 1.01 -0.76 -1.46 120.40 124.56 1ugn s VAL 95 Ca 0.13 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.50 1ugn s VAL 95 Cb -0.10 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1ugn s VAL 95 CO 0.03 0.55 0.08 0.42 0.00 0.00 0.00 175.10 176.19 1ugn s THR 96 N -0.11 3.42 0.00 3.92 -4.23 0.26 -0.82 115.64 118.09 1ugn s THR 96 Ca -0.02 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 1ugn s THR 96 Cb -0.14 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.73 1ugn s THR 96 CO 0.04 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 1ugn n GLY 97 N -1.03 1.12 0.19 3.99 0.00 -0.52 -1.53 105.19 107.41 1ugn n GLY 97 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.05 1ugn n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ugn h ALA 98 N 0.00 0.86 -2.41 4.61 0.00 -1.55 -3.43 119.26 117.34 1ugn h ALA 98 Ca 0.00 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.47 1ugn h ALA 98 Cb 0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 17.61 1ugn h ALA 98 CO 0.00 0.28 -0.64 0.71 0.00 0.00 0.00 179.25 179.60 1ugn s TYR 99 N -3.13 1.06 0.62 0.00 1.51 -1.26 -4.96 117.35 111.19 1ugn s TYR 99 Ca 0.05 -1.20 -0.18 0.00 -1.01 0.00 0.00 57.07 54.73 1ugn s TYR 99 Cb 0.06 -0.59 -0.04 0.00 -0.11 0.00 0.00 41.96 41.29 1ugn s TYR 99 CO 0.70 -0.45 1.04 0.44 -1.11 0.00 0.00 175.55 176.17 1ugn n ILE 100 N -0.19 4.02 -2.87 2.71 -5.35 -1.26 -0.84 119.36 115.58 1ugn n ILE 100 Ca -0.04 -0.50 -0.36 0.00 -0.27 0.00 0.00 62.75 61.58 1ugn n ILE 100 Cb 0.64 -1.23 -0.06 0.00 -1.74 0.00 0.00 39.64 37.25 1ugn n ILE 100 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1ugn s LYS 101 N -2.91 4.46 0.82 6.28 -2.85 -1.26 -4.26 119.74 120.02 1ugn s LYS 101 Ca 0.78 1.18 -0.08 0.00 -1.00 0.00 0.00 55.97 56.85 1ugn s LYS 101 Cb -0.41 -2.75 0.15 0.00 -2.06 0.00 0.00 37.83 32.77 1ugn s LYS 101 CO 0.45 0.27 1.14 -1.25 0.10 0.00 0.00 175.35 176.06 1ugn s PRO 102 N -2.17 1.26 -0.06 1.78 0.04 -1.26 -4.82 135.00 129.77 1ugn s PRO 102 Ca 0.50 -0.76 0.03 0.00 0.04 0.00 0.00 61.00 60.81 1ugn s PRO 102 Cb -0.17 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 1ugn s PRO 102 CO 0.22 -1.85 -0.15 0.95 0.04 0.00 0.00 177.00 176.21 1ugn s THR 103 N -3.47 2.99 -0.14 1.26 -4.23 0.80 -4.33 115.64 108.52 1ugn s THR 103 Ca 0.69 -0.74 -0.00 0.00 -1.18 0.00 0.00 61.69 60.47 1ugn s THR 103 Cb -0.05 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.60 1ugn s THR 103 CO 0.48 0.58 -0.14 -0.22 -0.54 0.00 0.00 174.62 174.78 1ugn s LEU 104 N -0.51 2.63 0.08 4.79 2.96 -1.26 -0.58 118.68 126.80 1ugn s LEU 104 Ca 0.07 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 1ugn s LEU 104 Cb -0.12 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 1ugn s LEU 104 CO 0.02 0.13 -0.06 -0.94 -1.32 0.00 0.00 176.35 174.18 1ugn s SER 105 N 0.53 0.94 -0.07 3.68 1.04 -0.51 -4.92 113.70 114.39 1ugn s SER 105 Ca -0.09 -0.95 0.01 0.00 0.48 0.00 0.00 55.95 55.40 1ugn s SER 105 Cb -0.16 0.11 -0.03 0.00 0.10 0.00 0.00 66.02 66.05 1ugn s SER 105 CO 0.04 -0.47 -0.08 0.00 0.98 0.00 0.00 173.24 173.71 1ugn s ALA 106 N -3.44 2.93 -0.06 5.32 0.00 -1.26 -0.49 121.76 124.77 1ugn s ALA 106 Ca 0.08 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.17 1ugn s ALA 106 Cb 0.04 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.97 1ugn s ALA 106 CO -0.05 0.56 -0.16 -0.65 0.00 0.00 0.00 175.76 175.46 1ugn s GLN 107 N -0.78 1.91 0.48 0.00 1.11 0.87 -2.90 119.66 120.36 1ugn s GLN 107 Ca 0.12 -0.57 0.24 0.00 0.01 0.00 0.00 55.36 55.16 1ugn s GLN 107 Cb -0.11 -1.59 1.24 0.00 -1.01 0.00 0.00 33.01 31.55 1ugn s GLN 107 CO 0.01 0.15 1.99 -1.00 0.01 0.00 0.00 175.29 176.46 1ugn h PRO 108 N 6.57 0.00 -2.04 2.91 0.13 -1.92 -1.13 132.00 136.52 1ugn h PRO 108 Ca -0.30 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 65.07 1ugn h PRO 108 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 1ugn h PRO 108 CO 0.48 0.17 0.64 -1.54 -0.23 0.00 0.00 178.00 177.52 1ugn s SER 109 N -6.30 -0.10 0.12 1.44 1.04 -1.14 -5.02 113.70 103.74 1ugn s SER 109 Ca -0.02 -0.34 0.23 0.00 0.48 0.00 0.00 55.95 56.29 1ugn s SER 109 Cb 0.13 0.36 0.90 0.00 0.10 0.00 0.00 66.02 67.50 1ugn s SER 109 CO 0.62 -0.68 1.70 -2.65 0.98 0.00 0.00 173.24 173.21 1ugn n PRO 110 N -0.53 0.11 -3.71 4.02 -0.02 -1.26 -4.58 135.00 129.03 1ugn n PRO 110 Ca -0.06 0.24 -0.38 0.00 -2.02 0.00 0.00 63.50 61.28 1ugn n PRO 110 Cb 0.61 -1.68 -0.12 0.00 -0.02 0.00 0.00 33.50 32.29 1ugn n PRO 110 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ugn s VAL 111 N -3.12 4.04 0.24 -1.45 1.01 -1.26 0.02 120.40 119.88 1ugn s VAL 111 Ca 0.08 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1ugn s VAL 111 Cb 0.12 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 1ugn s VAL 111 CO 0.43 -0.16 0.01 0.68 0.00 0.00 0.00 175.10 176.05 1ugn s VAL 112 N 1.46 1.02 0.37 2.92 -7.23 -0.52 -4.98 120.40 113.43 1ugn s VAL 112 Ca -0.00 -2.03 -0.17 0.00 -1.81 0.00 0.00 61.98 57.97 1ugn s VAL 112 Cb -0.19 -2.40 -0.10 0.00 0.56 0.00 0.00 36.38 34.25 1ugn s VAL 112 CO 0.04 -0.28 0.82 0.20 -0.31 0.00 0.00 175.10 175.57 1ugn s ASN 113 N -3.32 6.84 0.30 4.85 0.01 -1.26 -0.47 114.94 121.89 1ugn s ASN 113 Ca 0.30 1.45 -0.29 0.00 -0.71 0.00 0.00 52.86 53.60 1ugn s ASN 113 Cb 0.06 -2.44 -0.12 0.00 0.41 0.00 0.00 41.25 39.15 1ugn s ASN 113 CO 0.10 -0.27 1.40 -0.24 -1.51 0.00 0.00 177.10 176.57 1ugn n SER 114 N -0.50 3.04 0.00 -1.22 2.88 -1.20 -1.14 113.62 115.49 1ugn n SER 114 Ca 0.05 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 1ugn n SER 114 Cb 0.53 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1ugn n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugn n GLY 115 N 1.47 1.68 3.90 0.46 0.00 0.17 -4.97 105.19 107.88 1ugn n GLY 115 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1ugn n GLY 115 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ugn s GLY 116 N -2.00 1.59 0.01 -0.02 0.00 -0.29 -4.52 107.32 102.09 1ugn s GLY 116 Ca 0.00 -0.41 0.04 0.00 0.00 0.00 0.00 44.72 44.35 1ugn s GLY 116 CO 0.00 -0.16 -0.08 -1.31 0.00 0.00 0.00 173.10 171.55 1ugn s ASN 117 N -4.21 4.53 0.05 1.64 -0.87 -1.26 -1.39 114.94 113.43 1ugn s ASN 117 Ca 0.53 -0.18 0.04 0.00 -1.57 0.00 0.00 52.86 51.67 1ugn s ASN 117 Cb -0.11 -1.02 -0.03 0.00 -0.02 0.00 0.00 41.25 40.08 1ugn s ASN 117 CO 0.48 0.27 -0.12 0.54 -2.57 0.00 0.00 177.10 175.71 1ugn s VAL 118 N -1.00 0.90 -0.21 1.60 0.11 -0.47 -4.93 120.40 116.41 1ugn s VAL 118 Ca 0.17 -1.14 -0.13 0.00 -2.93 0.00 0.00 61.98 57.95 1ugn s VAL 118 Cb -0.11 -0.88 -0.05 0.00 -1.53 0.00 0.00 36.38 33.81 1ugn s VAL 118 CO 0.08 -0.23 0.26 -0.89 -3.33 0.00 0.00 175.10 170.99 1ugn s THR 119 N -1.20 5.31 -0.15 5.04 2.01 -0.43 -1.58 115.64 124.64 1ugn s THR 119 Ca -0.04 0.42 -0.05 0.00 0.31 0.00 0.00 61.69 62.33 1ugn s THR 119 Cb -0.09 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 1ugn s THR 119 CO 0.01 0.34 0.02 -0.76 -0.69 0.00 0.00 174.62 173.54 1ugn s LEU 120 N 0.92 3.58 -0.15 4.42 1.43 0.15 -0.09 118.68 128.95 1ugn s LEU 120 Ca 0.13 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 1ugn s LEU 120 Cb -0.13 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.21 1ugn s LEU 120 CO 0.05 0.21 -0.16 -1.58 0.23 0.00 0.00 176.35 175.10 1ugn s GLN 121 N 0.13 3.22 -0.30 1.70 0.74 0.36 -0.08 119.66 125.43 1ugn s GLN 121 Ca 0.02 -0.76 -0.08 0.00 0.05 0.00 0.00 55.36 54.60 1ugn s GLN 121 Cb -0.13 -2.59 0.00 0.00 1.10 0.00 0.00 33.01 31.40 1ugn s GLN 121 CO 0.02 0.06 0.10 0.00 -0.55 0.00 0.00 175.29 174.92 1ugn s ASP 123 N 1.54 4.01 0.06 0.00 2.15 0.25 -0.99 116.67 123.70 1ugn s ASP 123 Ca 0.03 -0.26 0.07 0.00 0.43 0.00 0.00 52.55 52.83 1ugn s ASP 123 Cb -0.17 -1.20 -0.03 0.00 -0.30 0.00 0.00 42.92 41.22 1ugn s ASP 123 CO 0.04 0.26 -0.17 -0.55 -0.17 0.00 0.00 175.17 174.58 1ugn s SER 124 N -0.24 3.88 0.54 -0.34 0.15 0.87 -0.14 113.70 118.41 1ugn s SER 124 Ca 0.01 -0.45 0.32 0.00 0.70 0.00 0.00 55.95 56.54 1ugn s SER 124 Cb -0.13 -0.62 1.37 0.00 -1.71 0.00 0.00 66.02 64.93 1ugn s SER 124 CO 0.03 0.23 1.99 1.56 1.20 0.00 0.00 173.24 178.26 1ugn h GLN 125 N 4.30 0.00 -4.94 5.44 4.20 -1.87 -3.45 115.11 118.79 1ugn h GLN 125 Ca -0.48 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 57.88 1ugn h GLN 125 Cb 1.16 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.80 1ugn h GLN 125 CO 0.48 0.05 -0.63 0.14 -0.67 0.00 0.00 178.83 178.19 1ugn s VAL 126 N -3.73 0.74 0.24 -0.54 -7.23 -1.26 -5.12 120.40 103.49 1ugn s VAL 126 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 1ugn s VAL 126 Cb 0.10 -2.47 -0.09 0.00 0.56 0.00 0.00 36.38 34.48 1ugn s VAL 126 CO 0.55 -0.18 1.14 0.00 -0.31 0.00 0.00 175.10 176.30 1ugn s ALA 127 N -3.62 3.41 0.01 1.32 0.00 -1.26 -4.69 121.76 116.93 1ugn s ALA 127 Ca 0.32 0.91 -0.02 0.00 0.00 0.00 0.00 51.96 53.18 1ugn s ALA 127 Cb 0.07 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 1ugn s ALA 127 CO 0.11 -0.25 0.03 -0.06 0.00 0.00 0.00 175.76 175.59 1ugn s PHE 128 N -0.69 0.15 -2.56 0.00 0.40 -0.99 -5.01 117.98 109.28 1ugn s PHE 128 Ca 0.48 -0.31 0.24 0.00 -0.60 0.00 0.00 56.93 56.73 1ugn s PHE 128 Cb -0.32 -0.12 0.55 0.00 0.51 0.00 0.00 43.02 43.64 1ugn s PHE 128 CO 0.39 -0.19 1.46 -0.40 0.70 0.00 0.00 175.22 177.18 1ugn n ASP 129 N 1.78 2.58 -3.71 1.36 5.68 -1.23 -4.58 116.55 118.43 1ugn n ASP 129 Ca -0.22 -1.85 -0.14 0.00 -0.50 0.00 0.00 54.79 52.08 1ugn n ASP 129 Cb 0.56 -0.11 -0.09 0.00 -1.14 0.00 0.00 41.12 40.34 1ugn n ASP 129 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1ugn s GLY 130 N -1.71 -0.29 0.05 6.12 0.00 -1.00 -4.82 107.32 105.66 1ugn s GLY 130 Ca 0.34 0.82 0.02 0.00 0.00 0.00 0.00 44.72 45.89 1ugn s GLY 130 CO 0.30 0.60 -0.06 -1.36 0.00 0.00 0.00 173.10 172.57 1ugn s PHE 131 N -0.75 0.61 -0.02 1.90 0.40 -1.26 -0.68 117.98 118.18 1ugn s PHE 131 Ca -0.08 -0.60 0.04 0.00 -0.60 0.00 0.00 56.93 55.69 1ugn s PHE 131 Cb -0.04 -0.38 -0.01 0.00 0.51 0.00 0.00 43.02 43.11 1ugn s PHE 131 CO 0.04 -0.13 -0.15 0.42 0.70 0.00 0.00 175.22 176.09 1ugn s ILE 132 N -1.88 1.24 -0.19 0.64 -1.09 0.41 -0.35 121.20 119.98 1ugn s ILE 132 Ca -0.07 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 1ugn s ILE 132 Cb -0.07 -1.05 0.02 0.00 -1.58 0.00 0.00 42.46 39.79 1ugn s ILE 132 CO -0.01 0.36 -0.17 -0.22 -1.23 0.00 0.00 174.94 173.66 1ugn s LEU 133 N -0.22 2.35 -0.08 2.97 2.96 -0.61 -0.47 118.68 125.57 1ugn s LEU 133 Ca 0.03 -0.67 0.02 0.00 -0.22 0.00 0.00 54.13 53.30 1ugn s LEU 133 Cb -0.08 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 1ugn s LEU 133 CO 0.00 -0.02 -0.15 0.00 -1.32 0.00 0.00 176.35 174.86 1ugn s LYS 135 N -0.22 3.97 -1.21 0.00 2.20 -1.26 -1.99 119.74 121.23 1ugn s LYS 135 Ca 0.00 0.13 -0.08 0.00 -0.36 0.00 0.00 55.97 55.66 1ugn s LYS 135 Cb -0.13 -3.68 -0.08 0.00 -1.51 0.00 0.00 37.83 32.43 1ugn s LYS 135 CO 0.03 -0.37 2.97 0.39 -0.36 0.00 0.00 175.35 178.01 1ugn n GLU 136 N 5.49 3.49 0.00 4.03 -0.58 0.15 -4.86 120.64 128.36 1ugn n GLU 136 Ca -0.06 -2.22 0.00 0.00 -0.42 0.00 0.00 57.16 54.46 1ugn n GLU 136 Cb 0.50 -2.58 0.00 0.00 -0.57 0.00 0.00 31.44 28.79 1ugn n GLU 136 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1ugn n GLN 143 N 2.88 0.00 -4.33 3.49 1.13 -1.26 -4.25 117.38 115.04 1ugn n GLN 143 Ca 0.68 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 55.56 1ugn n GLN 143 Cb 0.38 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.63 1ugn n GLN 143 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ugn s LEU 145 N -3.30 0.85 0.34 0.00 2.34 -0.54 -4.96 118.68 113.41 1ugn s LEU 145 Ca 0.22 0.21 -0.17 0.00 0.06 0.00 0.00 54.13 54.46 1ugn s LEU 145 Cb 0.01 1.22 -0.09 0.00 -0.56 0.00 0.00 46.19 46.76 1ugn s LEU 145 CO 0.06 -0.37 0.78 0.20 -1.06 0.00 0.00 176.35 175.96 1ugn s ASN 146 N -0.98 6.83 0.00 1.48 -0.87 -1.26 -1.58 114.94 118.56 1ugn s ASN 146 Ca -0.11 1.38 0.00 0.00 -1.57 0.00 0.00 52.86 52.56 1ugn s ASN 146 Cb -0.05 -2.41 0.00 0.00 -0.02 0.00 0.00 41.25 38.77 1ugn s ASN 146 CO 0.03 -0.22 0.00 -1.54 -2.57 0.00 0.00 177.10 172.80 1ugn n SER 147 N -0.35 0.00 -0.64 -1.22 3.41 0.52 -4.96 113.62 110.39 1ugn n SER 147 Ca 0.04 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.75 1ugn n SER 147 Cb 0.53 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.80 1ugn n SER 147 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ugn n SER 154 N 0.00 1.91 -0.94 4.04 3.41 -1.26 -4.92 113.62 115.85 1ugn n SER 154 Ca 0.00 -1.79 0.05 0.00 -0.26 0.00 0.00 58.87 56.87 1ugn n SER 154 Cb 0.00 -0.15 0.13 0.00 -0.26 0.00 0.00 64.21 63.93 1ugn n SER 154 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ugn n SER 155 N 0.49 1.40 -3.58 4.04 3.41 -1.26 -2.34 113.62 115.79 1ugn n SER 155 Ca 0.16 -3.06 -0.14 0.00 -0.26 0.00 0.00 58.87 55.56 1ugn n SER 155 Cb 0.35 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.82 1ugn n SER 155 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ugn s ARG 156 N -1.83 0.85 0.06 4.33 1.70 -1.26 -0.09 118.95 122.70 1ugn s ARG 156 Ca 0.35 0.49 0.05 0.00 -0.47 0.00 0.00 55.73 56.15 1ugn s ARG 156 Cb 0.37 0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 35.12 1ugn s ARG 156 CO -0.11 -0.21 -0.14 0.00 -1.08 0.00 0.00 175.30 173.77 1ugn s ALA 157 N -0.55 1.12 -0.16 7.88 0.00 -0.16 -4.98 121.76 124.92 1ugn s ALA 157 Ca -0.04 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1ugn s ALA 157 Cb -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1ugn s ALA 157 CO 0.04 0.17 -0.16 0.42 0.00 0.00 0.00 175.76 176.23 1ugn s ILE 158 N -1.10 2.60 0.04 0.00 -1.09 -1.26 -1.22 121.20 119.17 1ugn s ILE 158 Ca -0.01 -0.79 0.08 0.00 -2.23 0.00 0.00 60.65 57.70 1ugn s ILE 158 Cb -0.09 -2.10 -0.03 0.00 -1.58 0.00 0.00 42.46 38.66 1ugn s ILE 158 CO 0.02 0.52 -0.23 -0.36 -1.23 0.00 0.00 174.94 173.65 1ugn s PHE 159 N 0.85 2.42 -0.16 3.97 0.40 0.89 -4.96 117.98 121.39 1ugn s PHE 159 Ca -0.05 -0.35 -0.04 0.00 -0.60 0.00 0.00 56.93 55.90 1ugn s PHE 159 Cb -0.15 -1.42 -0.03 0.00 0.51 0.00 0.00 43.02 41.93 1ugn s PHE 159 CO -0.01 0.18 -0.04 0.45 0.70 0.00 0.00 175.22 176.50 1ugn s SER 160 N -1.30 4.74 0.08 1.36 0.15 -1.26 0.35 113.70 117.82 1ugn s SER 160 Ca 0.13 -0.15 0.05 0.00 0.70 0.00 0.00 55.95 56.68 1ugn s SER 160 Cb -0.10 -1.77 -0.03 0.00 -1.71 0.00 0.00 66.02 62.40 1ugn s SER 160 CO 0.03 0.16 -0.14 0.68 1.20 0.00 0.00 173.24 175.17 1ugn s VAL 161 N 0.41 1.14 0.00 4.45 -7.23 -0.61 -4.99 120.40 113.57 1ugn s VAL 161 Ca -0.04 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 1ugn s VAL 161 Cb -0.14 -1.19 0.00 0.00 0.56 0.00 0.00 36.38 35.61 1ugn s VAL 161 CO 0.03 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.14 1ugn n GLY 162 N 1.08 1.71 3.74 2.32 0.00 -1.26 -1.36 105.19 111.40 1ugn n GLY 162 Ca -0.20 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.38 1ugn n GLY 162 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ugn s PRO 163 N -1.37 4.29 0.48 1.61 0.02 -1.26 -5.01 135.00 133.75 1ugn s PRO 163 Ca 0.00 2.23 -0.11 0.00 0.02 0.00 0.00 61.00 63.15 1ugn s PRO 163 Cb 0.00 -3.15 -0.06 0.00 0.02 0.00 0.00 34.50 31.31 1ugn s PRO 163 CO 0.00 -0.42 0.86 0.14 -0.33 0.00 0.00 177.00 177.25 1ugn s VAL 164 N 0.35 4.75 0.01 3.83 -7.23 -0.49 -4.83 120.40 116.78 1ugn s VAL 164 Ca 0.61 0.70 -0.12 0.00 -1.81 0.00 0.00 61.98 61.37 1ugn s VAL 164 Cb -0.40 -3.78 0.01 0.00 0.56 0.00 0.00 36.38 32.77 1ugn s VAL 164 CO 0.39 -0.72 0.24 -0.94 -0.31 0.00 0.00 175.10 173.76 1ugn s SER 165 N -3.48 -0.08 0.54 4.85 1.04 -1.26 0.41 113.70 115.72 1ugn s SER 165 Ca 0.53 -0.12 0.33 0.00 0.48 0.00 0.00 55.95 57.16 1ugn s SER 165 Cb -0.10 0.28 1.32 0.00 0.10 0.00 0.00 66.02 67.62 1ugn s SER 165 CO 0.37 -0.47 1.97 -0.65 0.98 0.00 0.00 173.24 175.44 1ugn h PRO 166 N 3.80 0.00 0.00 4.02 0.11 -1.91 -3.06 132.00 134.95 1ugn h PRO 166 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1ugn h PRO 166 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ugn h PRO 166 CO 0.43 0.03 0.00 -1.13 -0.21 0.00 0.00 178.00 177.11 1ugn n SER 167 N -3.13 0.00 -4.20 -2.05 3.41 -1.26 -4.75 113.62 101.63 1ugn n SER 167 Ca 0.00 -0.03 -0.13 0.00 -0.26 0.00 0.00 58.87 58.46 1ugn n SER 167 Cb 0.32 -0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 63.90 1ugn n SER 167 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ugn s ARG 168 N -2.54 0.93 -0.10 4.33 0.52 -1.16 -5.14 118.95 115.80 1ugn s ARG 168 Ca 0.19 -1.33 -0.15 0.00 -0.52 0.00 0.00 55.73 53.92 1ugn s ARG 168 Cb 0.13 -0.47 -0.05 0.00 0.52 0.00 0.00 34.95 35.08 1ugn s ARG 168 CO 0.29 0.05 0.38 0.50 0.02 0.00 0.00 175.30 176.54 1ugn s ARG 169 N -3.50 4.15 -0.67 3.54 3.52 -1.26 -4.83 118.95 119.91 1ugn s ARG 169 Ca 0.12 0.29 0.01 0.00 -0.13 0.00 0.00 55.73 56.02 1ugn s ARG 169 Cb 0.02 -3.36 0.17 0.00 -1.56 0.00 0.00 34.95 30.21 1ugn s ARG 169 CO -0.01 0.36 0.47 -1.58 -0.81 0.00 0.00 175.30 173.73 1ugn s TRP 170 N 0.02 3.48 -0.10 5.12 0.52 -1.26 -5.00 118.94 121.72 1ugn s TRP 170 Ca 0.22 -3.06 0.00 0.00 0.02 0.00 0.00 56.10 53.28 1ugn s TRP 170 Cb -0.15 -2.99 -0.02 0.00 -1.15 0.00 0.00 33.47 29.16 1ugn s TRP 170 CO 0.09 -0.72 -0.09 -1.58 0.02 0.00 0.00 176.95 174.66 1ugn s TRP 171 N -0.73 2.87 0.09 -1.98 0.51 -1.26 -1.03 118.94 117.41 1ugn s TRP 171 Ca 0.21 -0.24 0.01 0.00 -2.12 0.00 0.00 56.10 53.96 1ugn s TRP 171 Cb -0.15 -1.77 -0.04 0.00 -0.81 0.00 0.00 33.47 30.69 1ugn s TRP 171 CO -0.07 0.10 -0.05 0.71 -0.51 0.00 0.00 176.95 177.12 1ugn s TYR 172 N -0.29 0.83 -0.06 -1.98 1.51 0.02 0.32 117.35 117.70 1ugn s TYR 172 Ca 0.03 -0.96 -0.14 0.00 -1.01 0.00 0.00 57.07 55.00 1ugn s TYR 172 Cb -0.13 -0.50 0.03 0.00 -0.11 0.00 0.00 41.96 41.25 1ugn s TYR 172 CO 0.03 -0.21 0.32 1.03 -1.11 0.00 0.00 175.55 175.61 1ugn s ARG 173 N -3.86 0.56 0.22 -0.62 0.52 -0.84 -0.45 118.95 114.49 1ugn s ARG 173 Ca 0.12 0.05 0.09 0.00 -0.52 0.00 0.00 55.73 55.46 1ugn s ARG 173 Cb 0.06 0.26 -0.05 0.00 0.52 0.00 0.00 34.95 35.74 1ugn s ARG 173 CO -0.05 -0.13 -0.15 0.00 0.02 0.00 0.00 175.30 174.98 1ugn s TYR 175 N -2.88 1.01 0.08 0.00 1.51 0.38 -1.46 117.35 115.99 1ugn s TYR 175 Ca 0.24 -0.88 0.09 0.00 -1.01 0.00 0.00 57.07 55.51 1ugn s TYR 175 Cb -0.01 -0.56 -0.04 0.00 -0.11 0.00 0.00 41.96 41.24 1ugn s TYR 175 CO 0.09 -0.09 -0.20 0.00 -1.11 0.00 0.00 175.55 174.23 1ugn s ALA 176 N -3.55 2.56 0.20 3.71 0.00 -1.26 -0.44 121.76 122.97 1ugn s ALA 176 Ca 0.14 -1.30 -0.13 0.00 0.00 0.00 0.00 51.96 50.67 1ugn s ALA 176 Cb 0.05 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.54 1ugn s ALA 176 CO -0.03 0.57 0.43 1.52 0.00 0.00 0.00 175.76 178.25 1ugn s TYR 177 N -1.01 0.18 -0.22 0.00 -0.85 0.15 -1.53 117.35 114.08 1ugn s TYR 177 Ca 0.15 -0.54 -0.06 0.00 -0.52 0.00 0.00 57.07 56.10 1ugn s TYR 177 Cb -0.10 0.18 -0.03 0.00 0.38 0.00 0.00 41.96 42.39 1ugn s TYR 177 CO 0.07 -0.86 0.04 0.34 -1.52 0.00 0.00 175.55 173.62 1ugn s ASP 178 N -2.94 5.10 0.48 -0.18 -1.08 -1.26 -2.38 116.67 114.41 1ugn s ASP 178 Ca 0.15 -0.15 0.25 0.00 -0.52 0.00 0.00 52.55 52.28 1ugn s ASP 178 Cb 0.01 -1.89 1.37 0.00 -1.46 0.00 0.00 42.92 40.95 1ugn s ASP 178 CO 0.01 0.04 1.74 0.77 0.52 0.00 0.00 175.17 178.25 1ugn h SER 179 N 7.68 0.00 1.19 -0.34 4.64 -1.94 0.89 113.55 125.66 1ugn h SER 179 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1ugn h SER 179 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1ugn h SER 179 CO 0.61 0.00 0.00 -1.13 -0.87 0.00 0.00 176.83 175.44 1ugn h ASN 180 N 0.00 0.00 -0.83 4.97 -0.73 -2.01 -3.34 115.58 113.64 1ugn h ASN 180 Ca 0.00 0.00 -0.36 0.00 1.87 0.00 0.00 56.30 57.81 1ugn h ASN 180 Cb 0.38 0.00 -0.24 0.00 0.27 0.00 0.00 38.32 38.73 1ugn h ASN 180 CO 0.00 0.00 -0.74 -0.24 -0.37 0.00 0.00 177.43 176.08 1ugn n SER 181 N -2.31 -1.66 0.24 1.15 2.88 0.29 -5.03 113.62 109.18 1ugn n SER 181 Ca 0.04 -3.05 0.14 0.00 -1.33 0.00 0.00 58.87 54.67 1ugn n SER 181 Cb 0.35 0.83 0.77 0.00 -0.75 0.00 0.00 64.21 65.41 1ugn n SER 181 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1ugn h PRO 182 N 4.02 0.00 -0.39 -1.46 0.13 -1.65 -2.92 132.00 129.74 1ugn h PRO 182 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1ugn h PRO 182 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1ugn h PRO 182 CO 0.38 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.81 1ugn n TYR 183 N -2.56 0.51 -4.01 1.56 4.02 -1.26 -4.79 117.16 110.63 1ugn n TYR 183 Ca -0.02 -0.25 -0.34 0.00 -0.01 0.00 0.00 57.90 57.28 1ugn n TYR 183 Cb 0.14 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.31 1ugn n TYR 183 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1ugn s GLU 184 N -1.49 3.00 0.39 -0.72 0.41 -1.10 -1.84 118.70 117.34 1ugn s GLU 184 Ca 0.37 -0.85 0.08 0.00 -0.41 0.00 0.00 54.97 54.16 1ugn s GLU 184 Cb 0.21 -2.83 -0.04 0.00 -1.78 0.00 0.00 34.13 29.69 1ugn s GLU 184 CO 0.29 -0.29 0.24 -1.58 -0.49 0.00 0.00 175.26 173.43 1ugn s TRP 185 N 1.34 2.69 0.95 1.61 0.51 0.00 -4.52 118.94 121.52 1ugn s TRP 185 Ca 0.03 -0.48 -0.16 0.00 -2.12 0.00 0.00 56.10 53.37 1ugn s TRP 185 Cb -0.15 -1.92 0.23 0.00 -0.81 0.00 0.00 33.47 30.82 1ugn s TRP 185 CO -0.07 0.14 1.06 -1.13 -0.51 0.00 0.00 176.95 176.43 1ugn n SER 186 N -1.32 -0.84 -4.76 2.95 3.41 -0.58 -1.44 113.62 111.06 1ugn n SER 186 Ca -0.00 -1.26 -0.35 0.00 -0.26 0.00 0.00 58.87 56.99 1ugn n SER 186 Cb 0.62 -0.88 0.04 0.00 -0.26 0.00 0.00 64.21 63.73 1ugn n SER 186 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ugn s LEU 187 N 0.00 3.59 0.52 1.04 1.43 -0.02 -2.51 118.68 122.75 1ugn s LEU 187 Ca 0.64 2.28 -0.19 0.00 -1.03 0.00 0.00 54.13 55.83 1ugn s LEU 187 Cb -0.04 -4.59 -0.07 0.00 0.03 0.00 0.00 46.19 41.53 1ugn s LEU 187 CO 0.46 -1.62 1.06 -2.16 0.23 0.00 0.00 176.35 174.33 1ugn s PRO 188 N -3.51 3.59 0.93 1.29 0.04 -1.26 -4.31 135.00 131.77 1ugn s PRO 188 Ca 0.75 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 63.03 1ugn s PRO 188 Cb -0.27 -2.06 0.15 0.00 0.04 0.00 0.00 34.50 32.35 1ugn s PRO 188 CO 0.35 -0.61 1.10 -1.54 0.04 0.00 0.00 177.00 176.34 1ugn s SER 189 N -2.14 3.26 0.65 6.66 1.04 -0.53 -4.76 113.70 117.88 1ugn s SER 189 Ca 0.67 1.22 -0.17 0.00 0.48 0.00 0.00 55.95 58.15 1ugn s SER 189 Cb -0.18 -1.88 -0.01 0.00 0.10 0.00 0.00 66.02 64.06 1ugn s SER 189 CO 0.25 -2.74 1.22 -1.81 0.98 0.00 0.00 173.24 171.14 1ugn s ASP 190 N -3.64 4.77 0.17 7.02 1.01 -1.26 -4.64 116.67 120.10 1ugn s ASP 190 Ca 0.64 2.40 -0.31 0.00 0.71 0.00 0.00 52.55 55.99 1ugn s ASP 190 Cb -0.17 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.07 1ugn s ASP 190 CO 0.56 -1.88 1.41 -0.22 0.21 0.00 0.00 175.17 175.25 1ugn s LEU 191 N -4.51 4.38 -0.19 1.23 2.96 -1.26 -4.71 118.68 116.59 1ugn s LEU 191 Ca 0.77 2.46 -0.03 0.00 -0.22 0.00 0.00 54.13 57.11 1ugn s LEU 191 Cb -0.31 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.77 1ugn s LEU 191 CO 0.39 -0.66 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.47 1ugn s LEU 192 N 0.51 2.88 -0.20 -0.68 2.96 0.40 -4.96 118.68 119.59 1ugn s LEU 192 Ca 0.62 -0.35 -0.06 0.00 -0.22 0.00 0.00 54.13 54.12 1ugn s LEU 192 Cb -0.39 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 1ugn s LEU 192 CO 0.35 0.04 0.03 -0.70 -1.32 0.00 0.00 176.35 174.75 1ugn s GLU 193 N 1.10 3.72 -0.02 1.98 2.12 -1.26 -0.80 118.70 125.54 1ugn s GLU 193 Ca 0.01 -0.47 -0.19 0.00 0.36 0.00 0.00 54.97 54.68 1ugn s GLU 193 Cb -0.15 -3.15 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 1ugn s GLU 193 CO -0.01 0.06 0.54 -0.51 -0.54 0.00 0.00 175.26 174.79 1ugn s LEU 194 N 0.92 4.41 -0.33 2.70 1.43 -0.20 -4.89 118.68 122.72 1ugn s LEU 194 Ca 0.02 1.07 -0.09 0.00 -1.03 0.00 0.00 54.13 54.11 1ugn s LEU 194 Cb -0.14 -2.82 0.01 0.00 0.03 0.00 0.00 46.19 43.27 1ugn s LEU 194 CO 0.02 0.14 0.14 -0.76 0.23 0.00 0.00 176.35 176.12 1ugn s LEU 195 N -0.30 4.21 -0.32 1.79 1.02 0.10 -4.53 118.68 120.65 1ugn s LEU 195 Ca 0.29 -0.79 -0.15 0.00 0.02 0.00 0.00 54.13 53.49 1ugn s LEU 195 Cb -0.18 -1.95 -0.02 0.00 0.02 0.00 0.00 46.19 44.07 1ugn s LEU 195 CO 0.15 -0.26 0.37 -0.69 0.02 0.00 0.00 176.35 175.94 1ugn s VAL 196 N 1.53 5.16 -0.45 -1.59 1.01 -1.26 -1.44 120.40 123.36 1ugn s VAL 196 Ca 0.02 0.19 -0.27 0.00 0.00 0.00 0.00 61.98 61.93 1ugn s VAL 196 Cb -0.18 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1ugn s VAL 196 CO 0.05 -0.04 2.03 -0.22 0.00 0.00 0.00 175.10 176.92 1ugn s LEU 197 N 2.05 3.40 0.00 3.92 2.96 0.38 -4.69 118.68 126.71 1ugn s LEU 197 Ca 0.13 1.00 0.00 0.00 -0.22 0.00 0.00 54.13 55.04 1ugn s LEU 197 Cb -0.16 -2.93 0.00 0.00 0.50 0.00 0.00 46.19 43.59 1ugn s LEU 197 CO 0.11 -2.26 0.00 0.61 -1.32 0.00 0.00 176.35 173.49