#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujx n SER 2 N 0.00 -0.78 -4.92 1.61 2.88 -1.26 -5.15 113.62 106.00 1ujx n SER 2 Ca 0.00 0.52 -0.26 0.00 -1.33 0.00 0.00 58.87 57.80 1ujx n SER 2 Cb 0.00 1.09 0.02 0.00 -0.75 0.00 0.00 64.21 64.57 1ujx n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ujx s SER 3 N -2.00 5.75 0.09 -3.46 1.04 -1.26 -4.98 113.70 108.88 1ujx s SER 3 Ca 0.00 0.64 -0.36 0.00 0.48 0.00 0.00 55.95 56.71 1ujx s SER 3 Cb 0.00 -1.74 -0.17 0.00 0.10 0.00 0.00 66.02 64.21 1ujx s SER 3 CO 0.00 -0.90 1.32 0.61 0.98 0.00 0.00 173.24 175.25 1ujx n GLY 4 N -2.41 0.42 3.09 7.32 0.00 -1.26 -4.96 105.19 107.39 1ujx n GLY 4 Ca 0.03 0.69 -0.29 0.00 0.00 0.00 0.00 46.02 46.44 1ujx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujx s SER 5 N 0.43 2.61 -0.01 1.61 1.04 -1.26 -5.00 113.70 113.12 1ujx s SER 5 Ca 0.83 -0.47 -0.06 0.00 0.48 0.00 0.00 55.95 56.74 1ujx s SER 5 Cb -0.95 -1.18 -0.02 0.00 0.10 0.00 0.00 66.02 63.97 1ujx s SER 5 CO 0.47 0.04 -0.11 -0.24 0.98 0.00 0.00 173.24 174.38 1ujx n SER 6 N 4.14 1.24 -1.36 7.02 2.88 -1.26 -5.13 113.62 121.14 1ujx n SER 6 Ca -0.19 0.18 0.16 0.00 -1.33 0.00 0.00 58.87 57.69 1ujx n SER 6 Cb 0.51 -0.43 -0.08 0.00 -0.75 0.00 0.00 64.21 63.47 1ujx n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujx n GLY 7 N 2.76 -2.71 2.12 0.46 0.00 -1.26 -5.03 105.19 101.52 1ujx n GLY 7 Ca -0.07 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1ujx n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ujx n MET 8 N -4.16 0.00 0.00 1.61 0.00 -1.26 -5.16 117.12 108.15 1ujx n MET 8 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.64 1ujx n MET 8 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.86 1ujx n MET 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1ujx n SER 9 N -3.04 0.00 0.00 6.12 2.88 -1.26 -5.10 113.62 113.22 1ujx n SER 9 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ujx n SER 9 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ujx n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ujx n GLN 10 N -0.31 0.00 -1.72 -1.46 6.02 -1.26 -3.27 117.38 115.37 1ujx n GLN 10 Ca 0.00 0.00 -0.67 0.00 -0.01 0.00 0.00 57.00 56.32 1ujx n GLN 10 Cb 0.00 -0.11 -0.10 0.00 1.02 0.00 0.00 30.24 31.05 1ujx n GLN 10 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1ujx n LEU 11 N 0.00 1.10 0.00 1.08 4.77 -1.26 -2.03 117.00 120.66 1ujx n LEU 11 Ca 0.00 1.19 0.00 0.00 -0.03 0.00 0.00 56.01 57.17 1ujx n LEU 11 Cb 0.00 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1ujx n LEU 11 CO 0.00 -0.95 0.00 0.61 -1.33 0.00 0.00 177.39 175.72 1ujx n GLY 12 N 3.74 2.30 3.46 -0.72 0.00 -1.26 -5.06 105.19 107.64 1ujx n GLY 12 Ca 0.30 -0.71 -0.53 0.00 0.00 0.00 0.00 46.02 45.08 1ujx n GLY 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ujx n SER 13 N 1.01 -0.53 -4.90 1.61 3.41 -0.86 -4.92 113.62 108.45 1ujx n SER 13 Ca 0.00 1.14 -0.28 0.00 -0.26 0.00 0.00 58.87 59.47 1ujx n SER 13 Cb 0.00 -0.95 -0.01 0.00 -0.26 0.00 0.00 64.21 62.98 1ujx n SER 13 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ujx s ARG 14 N -0.52 3.62 1.25 4.33 0.52 -1.26 -4.98 118.95 121.92 1ujx s ARG 14 Ca 0.77 0.26 -0.17 0.00 -0.52 0.00 0.00 55.73 56.06 1ujx s ARG 14 Cb -1.08 -2.41 0.28 0.00 0.52 0.00 0.00 34.95 32.26 1ujx s ARG 14 CO 0.56 -0.11 0.71 0.41 0.02 0.00 0.00 175.30 176.90 1ujx n GLY 15 N -1.83 -2.77 2.81 -3.53 0.00 -1.26 -5.01 105.19 93.60 1ujx n GLY 15 Ca 0.01 -1.24 -0.15 0.00 0.00 0.00 0.00 46.02 44.64 1ujx n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ujx s ARG 16 N -4.31 -0.00 0.31 1.61 1.81 -1.22 -4.88 118.95 112.26 1ujx s ARG 16 Ca 0.63 0.26 -0.25 0.00 -1.72 0.00 0.00 55.73 54.65 1ujx s ARG 16 Cb -0.17 -0.24 -0.10 0.00 -0.45 0.00 0.00 34.95 33.99 1ujx s ARG 16 CO 0.60 -0.18 0.90 -0.51 -0.68 0.00 0.00 175.30 175.43 1ujx s LEU 17 N 1.19 4.33 -0.02 2.53 1.43 -1.26 -1.21 118.68 125.66 1ujx s LEU 17 Ca -0.08 1.75 -0.29 0.00 -1.03 0.00 0.00 54.13 54.48 1ujx s LEU 17 Cb -0.13 -3.95 0.10 0.00 0.03 0.00 0.00 46.19 42.25 1ujx s LEU 17 CO -0.04 -0.06 0.89 -1.66 0.23 0.00 0.00 176.35 175.71 1ujx s TRP 18 N -1.62 -0.36 -0.03 0.29 1.48 -0.20 -2.97 118.94 115.53 1ujx s TRP 18 Ca 0.49 0.30 -0.06 0.00 -1.06 0.00 0.00 56.10 55.77 1ujx s TRP 18 Cb -0.18 0.52 -0.04 0.00 -1.16 0.00 0.00 33.47 32.61 1ujx s TRP 18 CO 0.23 -0.53 0.21 -0.51 -4.06 0.00 0.00 176.95 172.29 1ujx s LEU 19 N -2.28 4.38 -0.41 -4.66 1.43 -0.43 -0.12 118.68 116.59 1ujx s LEU 19 Ca 0.04 0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 53.56 1ujx s LEU 19 Cb -0.01 -2.48 0.10 0.00 0.03 0.00 0.00 46.19 43.83 1ujx s LEU 19 CO -0.07 0.30 0.21 -1.58 0.23 0.00 0.00 176.35 175.44 1ujx s GLN 20 N -1.59 2.21 0.47 1.70 0.74 0.24 -3.24 119.66 120.19 1ujx s GLN 20 Ca 0.24 -1.70 -0.21 0.00 0.05 0.00 0.00 55.36 53.73 1ujx s GLN 20 Cb -0.13 -3.62 -0.08 0.00 1.10 0.00 0.00 33.01 30.28 1ujx s GLN 20 CO 0.13 -1.03 1.09 -1.54 -0.55 0.00 0.00 175.29 173.39 1ujx s SER 21 N 1.94 6.27 0.76 6.67 1.04 -1.26 -3.52 113.70 125.59 1ujx s SER 21 Ca 0.06 2.08 -0.11 0.00 0.48 0.00 0.00 55.95 58.46 1ujx s SER 21 Cb -0.23 -2.58 0.05 0.00 0.10 0.00 0.00 66.02 63.36 1ujx s SER 21 CO -0.02 -0.84 1.08 -2.16 0.98 0.00 0.00 173.24 172.28 1ujx s PRO 22 N -2.97 2.36 0.83 4.02 0.04 -1.26 -4.93 135.00 133.09 1ujx s PRO 22 Ca 0.66 0.75 -0.17 0.00 0.04 0.00 0.00 61.00 62.27 1ujx s PRO 22 Cb -0.22 -1.94 -0.14 0.00 0.04 0.00 0.00 34.50 32.24 1ujx s PRO 22 CO 0.26 -1.45 -0.51 2.41 0.04 0.00 0.00 177.00 177.75 1ujx n THR 23 N -3.34 0.07 -3.60 1.26 -1.04 -1.26 -2.92 114.28 103.46 1ujx n THR 23 Ca 0.07 -0.49 -0.20 0.00 -2.04 0.00 0.00 64.05 61.40 1ujx n THR 23 Cb 0.55 -0.05 0.06 0.00 -1.82 0.00 0.00 70.33 69.07 1ujx n THR 23 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ujx n GLY 24 N 3.06 -0.32 1.39 3.41 0.00 -1.26 -4.98 105.19 106.48 1ujx n GLY 24 Ca 0.02 0.12 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 1ujx n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ujx n GLY 25 N -1.41 2.39 3.78 -0.02 0.00 -1.15 -5.16 105.19 103.62 1ujx n GLY 25 Ca -0.29 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 1ujx n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujx s PRO 26 N -2.23 0.51 0.99 1.61 0.04 -1.26 -5.03 135.00 129.62 1ujx s PRO 26 Ca 0.10 0.05 -0.15 0.00 0.04 0.00 0.00 61.00 61.04 1ujx s PRO 26 Cb -0.01 -1.79 0.19 0.00 0.04 0.00 0.00 34.50 32.93 1ujx s PRO 26 CO 0.07 -2.58 1.17 -1.25 0.04 0.00 0.00 177.00 174.46 1ujx s PRO 27 N -5.45 0.49 -0.37 0.56 0.04 -1.26 -4.54 135.00 124.46 1ujx s PRO 27 Ca 0.68 0.05 -0.29 0.00 0.04 0.00 0.00 61.00 61.48 1ujx s PRO 27 Cb -0.11 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.65 1ujx s PRO 27 CO 0.54 -2.59 1.39 -1.25 0.04 0.00 0.00 177.00 175.12 1ujx s PRO 28 N -5.45 3.68 0.27 0.56 0.04 -1.26 -4.70 135.00 128.15 1ujx s PRO 28 Ca 0.68 1.05 -0.21 0.00 0.04 0.00 0.00 61.00 62.56 1ujx s PRO 28 Cb -0.11 -3.98 -0.09 0.00 0.04 0.00 0.00 34.50 30.36 1ujx s PRO 28 CO 0.54 -1.42 0.80 0.42 0.04 0.00 0.00 177.00 177.37 1ujx s ILE 29 N 5.11 4.47 -0.38 0.56 1.09 -1.20 -4.84 121.20 126.00 1ujx s ILE 29 Ca 0.60 1.41 -0.11 0.00 -1.10 0.00 0.00 60.65 61.45 1ujx s ILE 29 Cb -0.15 -3.86 0.03 0.00 -1.06 0.00 0.00 42.46 37.42 1ujx s ILE 29 CO 0.30 0.13 0.22 -0.36 -0.10 0.00 0.00 174.94 175.12 1ujx s PHE 30 N -1.63 3.25 0.91 3.97 0.40 -1.26 -1.32 117.98 122.30 1ujx s PHE 30 Ca 0.47 -0.94 -0.10 0.00 -0.60 0.00 0.00 56.93 55.76 1ujx s PHE 30 Cb -0.16 -2.47 0.14 0.00 0.51 0.00 0.00 43.02 41.04 1ujx s PHE 30 CO 0.21 -0.65 1.16 -0.51 0.70 0.00 0.00 175.22 176.13 1ujx s LEU 31 N 1.57 2.87 -0.05 -0.37 1.43 -1.16 -4.92 118.68 118.05 1ujx s LEU 31 Ca 0.02 2.23 -0.30 0.00 -1.03 0.00 0.00 54.13 55.05 1ujx s LEU 31 Cb -0.19 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.42 1ujx s LEU 31 CO 0.07 -3.11 1.22 -2.16 0.23 0.00 0.00 176.35 172.60 1ujx s PRO 32 N -4.58 4.34 0.12 1.29 0.04 -1.26 -4.82 135.00 130.12 1ujx s PRO 32 Ca 0.68 1.70 0.09 0.00 0.04 0.00 0.00 61.00 63.50 1ujx s PRO 32 Cb -0.24 -3.57 -0.18 0.00 0.04 0.00 0.00 34.50 30.56 1ujx s PRO 32 CO 0.57 -0.47 1.23 0.77 0.04 0.00 0.00 177.00 179.14 1ujx h SER 33 N 7.52 0.00 -0.84 6.66 0.02 -1.91 -3.23 113.55 121.77 1ujx h SER 33 Ca -0.34 0.00 0.24 0.00 -0.84 0.00 0.00 61.79 60.85 1ujx h SER 33 Cb 1.16 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.67 1ujx h SER 33 CO 0.89 0.94 0.79 -0.78 -1.14 0.00 0.00 176.83 177.53 1ujx h ASP 34 N 0.00 0.00 0.00 3.07 3.58 -1.91 -3.44 116.42 117.73 1ujx h ASP 34 Ca -0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1ujx h ASP 34 Cb 1.75 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.80 1ujx h ASP 34 CO 0.12 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.09 1ujx n GLY 35 N -1.64 1.48 3.06 -0.78 0.00 -1.22 -5.11 105.19 100.98 1ujx n GLY 35 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1ujx n GLY 35 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ujx n GLN 36 N -0.00 -1.59 -4.03 1.61 6.02 -1.26 -4.80 117.38 113.33 1ujx n GLN 36 Ca 0.00 -0.46 -0.31 0.00 -0.01 0.00 0.00 57.00 56.22 1ujx n GLN 36 Cb 0.00 -1.42 -0.16 0.00 1.02 0.00 0.00 30.24 29.68 1ujx n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ujx s ALA 37 N -2.10 1.96 -0.50 -1.58 0.00 -1.26 -4.35 121.76 113.93 1ujx s ALA 37 Ca 0.38 -1.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.13 1ujx s ALA 37 Cb -0.04 -1.12 0.05 0.00 0.00 0.00 0.00 23.12 22.00 1ujx s ALA 37 CO 0.44 -0.47 0.65 -1.17 0.00 0.00 0.00 175.76 175.21 1ujx s LEU 38 N 1.44 4.80 -0.13 0.00 2.96 0.33 -4.86 118.68 123.23 1ujx s LEU 38 Ca 0.04 -0.76 -0.29 0.00 -0.22 0.00 0.00 54.13 52.89 1ujx s LEU 38 Cb -0.14 -2.52 -0.02 0.00 0.50 0.00 0.00 46.19 44.01 1ujx s LEU 38 CO -0.10 -0.90 1.18 -0.69 -1.32 0.00 0.00 176.35 174.52 1ujx s VAL 39 N 2.77 4.38 0.56 1.68 1.01 -1.26 -0.94 120.40 128.61 1ujx s VAL 39 Ca 0.18 1.68 0.05 0.00 0.00 0.00 0.00 61.98 63.89 1ujx s VAL 39 Cb -0.18 -4.08 0.06 0.00 0.00 0.00 0.00 36.38 32.18 1ujx s VAL 39 CO 0.14 -0.08 0.78 -0.76 0.00 0.00 0.00 175.10 175.18 1ujx s LEU 40 N 2.84 3.26 0.00 3.92 1.02 -0.43 -4.93 118.68 124.34 1ujx s LEU 40 Ca 0.53 -0.42 0.00 0.00 0.02 0.00 0.00 54.13 54.26 1ujx s LEU 40 Cb -0.21 -2.28 0.00 0.00 0.02 0.00 0.00 46.19 43.72 1ujx s LEU 40 CO 0.16 -1.27 0.00 0.61 0.02 0.00 0.00 176.35 175.88 1ujx n GLY 41 N -2.31 0.51 3.76 -3.19 0.00 -1.26 -1.96 105.19 100.75 1ujx n GLY 41 Ca 0.12 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 1ujx n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ujx s ARG 42 N -2.00 4.46 0.00 1.61 0.52 -1.23 -4.49 118.95 117.82 1ujx s ARG 42 Ca 0.00 2.06 0.00 0.00 -0.52 0.00 0.00 55.73 57.27 1ujx s ARG 42 Cb 0.00 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.35 1ujx s ARG 42 CO 0.00 -0.06 0.00 0.41 0.02 0.00 0.00 175.30 175.67 1ujx n GLY 43 N 1.07 0.40 0.00 -3.53 0.00 -0.41 -4.55 105.19 98.17 1ujx n GLY 43 Ca 0.00 -1.80 0.11 0.00 0.00 0.00 0.00 46.02 44.33 1ujx n GLY 43 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ujx n PRO 44 N -0.88 0.18 0.33 1.61 -0.04 -1.26 -1.12 135.00 133.81 1ujx n PRO 44 Ca 0.00 0.10 -0.18 0.00 -0.04 0.00 0.00 63.50 63.38 1ujx n PRO 44 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 1ujx n PRO 44 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ujx h LEU 45 N 0.00 -1.28 -2.31 1.53 4.07 -1.89 -3.25 115.31 112.18 1ujx h LEU 45 Ca 0.00 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1ujx h LEU 45 Cb 0.29 0.40 0.00 0.00 1.08 0.00 0.00 40.66 42.43 1ujx h LEU 45 CO 0.00 -0.67 0.00 0.35 -1.08 0.00 0.00 178.44 177.04 1ujx n THR 46 N -5.40 0.62 -1.22 0.22 -2.24 -1.24 -4.89 114.28 100.14 1ujx n THR 46 Ca -0.12 -0.81 -0.07 0.00 -2.27 0.00 0.00 64.05 60.77 1ujx n THR 46 Cb 0.46 0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 69.42 1ujx n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ujx n GLN 47 N 0.38 -1.24 -2.52 -0.78 6.02 -0.27 -4.59 117.38 114.39 1ujx n GLN 47 Ca 0.08 0.69 -0.42 0.00 -0.01 0.00 0.00 57.00 57.34 1ujx n GLN 47 Cb 0.33 -4.80 -0.03 0.00 1.02 0.00 0.00 30.24 26.76 1ujx n GLN 47 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ujx s VAL 48 N -1.91 4.15 -0.08 5.09 1.01 -1.05 -4.89 120.40 122.72 1ujx s VAL 48 Ca 0.00 1.64 0.17 0.00 0.00 0.00 0.00 61.98 63.79 1ujx s VAL 48 Cb 0.00 -4.05 0.35 0.00 0.00 0.00 0.00 36.38 32.68 1ujx s VAL 48 CO 0.00 0.18 1.16 0.35 0.00 0.00 0.00 175.10 176.79 1ujx n THR 49 N 3.36 0.87 -3.14 3.92 -2.24 -1.26 -1.29 114.28 114.50 1ujx n THR 49 Ca 0.06 -1.68 -0.39 0.00 -2.27 0.00 0.00 64.05 59.77 1ujx n THR 49 Cb 0.47 0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 69.07 1ujx n THR 49 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ujx s ASP 50 N -2.33 6.87 0.20 3.42 -1.08 -1.26 -4.96 116.67 117.53 1ujx s ASP 50 Ca 0.30 1.05 -0.11 0.00 -0.52 0.00 0.00 52.55 53.27 1ujx s ASP 50 Cb 0.32 -2.37 0.21 0.00 -1.46 0.00 0.00 42.92 39.62 1ujx s ASP 50 CO -0.09 -0.08 1.77 0.03 0.52 0.00 0.00 175.17 177.32 1ujx h ARG 51 N 6.76 0.48 -1.17 4.34 2.47 -2.04 0.12 114.38 125.33 1ujx h ARG 51 Ca -0.41 -0.03 0.34 0.00 -1.26 0.00 0.00 59.98 58.62 1ujx h ARG 51 Cb 1.19 -0.11 -0.05 0.00 -1.65 0.00 0.00 29.97 29.35 1ujx h ARG 51 CO 0.75 0.32 0.84 0.87 0.56 0.00 0.00 179.97 183.31 1ujx h LYS 52 N 0.49 0.02 -7.09 0.04 1.57 -2.04 -3.39 116.57 106.17 1ujx h LYS 52 Ca 0.27 -0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.59 1ujx h LYS 52 Cb 0.25 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.57 1ujx h LYS 52 CO -0.22 0.01 0.37 0.00 -0.57 0.00 0.00 179.45 179.04 1ujx s SER 54 N -2.24 2.02 0.51 0.00 0.15 -1.26 -4.69 113.70 108.19 1ujx s SER 54 Ca 0.64 -0.33 0.46 0.00 0.70 0.00 0.00 55.95 57.43 1ujx s SER 54 Cb -0.13 -0.49 1.60 0.00 -1.71 0.00 0.00 66.02 65.29 1ujx s SER 54 CO 0.21 0.16 1.45 0.54 1.20 0.00 0.00 173.24 176.79 1ujx n ARG 55 N 3.05 -0.00 -3.12 5.44 1.74 -1.26 0.39 116.66 122.90 1ujx n ARG 55 Ca -0.17 1.02 -0.23 0.00 -0.77 0.00 0.00 57.85 57.69 1ujx n ARG 55 Cb 0.53 -2.32 -0.04 0.00 -1.02 0.00 0.00 32.46 29.61 1ujx n ARG 55 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1ujx n ASN 56 N -3.84 2.41 0.26 0.55 4.13 -1.24 -4.16 115.26 113.37 1ujx n ASN 56 Ca 0.41 -3.27 -0.13 0.00 1.68 0.00 0.00 54.58 53.27 1ujx n ASN 56 Cb 1.85 -0.61 -0.07 0.00 -1.54 0.00 0.00 39.78 39.41 1ujx n ASN 56 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 1ujx h GLN 57 N 3.24 -0.68 -4.62 3.52 5.75 0.60 -3.08 115.11 119.85 1ujx h GLN 57 Ca 0.12 0.05 -0.23 0.00 -0.15 0.00 0.00 58.65 58.43 1ujx h GLN 57 Cb 0.75 0.16 -0.15 0.00 1.07 0.00 0.00 27.48 29.31 1ujx h GLN 57 CO 0.65 -0.39 -0.67 0.14 -2.65 0.00 0.00 178.83 175.92 1ujx s VAL 58 N -4.44 0.48 -0.26 2.39 -7.23 -1.25 0.34 120.40 110.42 1ujx s VAL 58 Ca -0.13 -1.94 -0.01 0.00 -1.81 0.00 0.00 61.98 58.09 1ujx s VAL 58 Cb 0.02 -1.96 0.03 0.00 0.56 0.00 0.00 36.38 35.03 1ujx s VAL 58 CO 0.44 -0.59 -0.05 -0.70 -0.31 0.00 0.00 175.10 173.88 1ujx s GLU 59 N -3.94 2.69 -0.03 4.82 2.12 0.33 -1.32 118.70 123.37 1ujx s GLU 59 Ca 0.20 -1.08 -0.14 0.00 0.36 0.00 0.00 54.97 54.31 1ujx s GLU 59 Cb 0.06 -3.02 -0.05 0.00 0.26 0.00 0.00 34.13 31.38 1ujx s GLU 59 CO 0.00 -0.47 0.38 -0.51 -0.54 0.00 0.00 175.26 174.13 1ujx s LEU 60 N 1.29 4.44 -0.09 2.70 1.43 -0.11 -2.25 118.68 126.09 1ujx s LEU 60 Ca -0.02 0.87 -0.03 0.00 -1.03 0.00 0.00 54.13 53.93 1ujx s LEU 60 Cb -0.18 -2.53 0.04 0.00 0.03 0.00 0.00 46.19 43.56 1ujx s LEU 60 CO -0.04 0.30 0.06 -0.63 0.23 0.00 0.00 176.35 176.27 1ujx s ILE 61 N -0.87 0.01 0.02 -0.59 1.01 -0.63 0.12 121.20 120.28 1ujx s ILE 61 Ca 0.22 0.16 -0.30 0.00 0.00 0.00 0.00 60.65 60.73 1ujx s ILE 61 Cb -0.16 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 41.88 1ujx s ILE 61 CO 0.12 0.04 1.20 0.00 0.00 0.00 0.00 174.94 176.30 1ujx s ALA 62 N 2.11 3.42 -0.49 9.38 0.00 -1.25 -1.22 121.76 133.71 1ujx s ALA 62 Ca 0.04 0.78 0.03 0.00 0.00 0.00 0.00 51.96 52.81 1ujx s ALA 62 Cb -0.13 -3.47 0.13 0.00 0.00 0.00 0.00 23.12 19.65 1ujx s ALA 62 CO -0.05 -0.54 0.25 -0.51 0.00 0.00 0.00 175.76 174.90 1ujx s ASP 63 N 1.21 4.11 0.00 0.00 1.01 0.20 -4.57 116.67 118.64 1ujx s ASP 63 Ca 0.58 -2.86 0.23 0.00 0.71 0.00 0.00 52.55 51.21 1ujx s ASP 63 Cb -0.28 -1.45 1.39 0.00 1.01 0.00 0.00 42.92 43.59 1ujx s ASP 63 CO 0.27 -0.25 1.76 -0.81 0.21 0.00 0.00 175.17 176.36 1ujx n PRO 64 N 3.28 0.75 -0.09 8.23 -0.04 -1.26 -0.46 135.00 145.42 1ujx n PRO 64 Ca 0.06 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.38 1ujx n PRO 64 Cb 0.33 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 32.26 1ujx n PRO 64 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ujx h GLU 65 N 0.00 0.80 0.00 0.54 4.39 -1.91 -3.34 114.58 115.06 1ujx h GLU 65 Ca 0.00 -0.47 -0.04 0.00 0.34 0.00 0.00 59.36 59.20 1ujx h GLU 65 Cb 0.00 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 28.61 1ujx h GLU 65 CO 0.00 1.10 -0.50 0.43 -1.16 0.00 0.00 179.01 178.88 1ujx n SER 66 N -4.13 0.93 -3.88 1.42 7.64 -1.18 -4.99 113.62 109.44 1ujx n SER 66 Ca -0.04 -2.45 -0.28 0.00 1.01 0.00 0.00 58.87 57.11 1ujx n SER 66 Cb 0.55 -0.31 0.02 0.00 -1.01 0.00 0.00 64.21 63.46 1ujx n SER 66 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ujx n ARG 67 N -0.35 -5.03 -4.54 1.43 3.00 -0.45 -4.97 116.66 105.76 1ujx n ARG 67 Ca 0.07 0.57 -0.25 0.00 -0.01 0.00 0.00 57.85 58.23 1ujx n ARG 67 Cb 0.78 -5.30 -0.09 0.00 0.00 0.00 0.00 32.46 27.84 1ujx n ARG 67 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1ujx s THR 68 N -3.46 1.04 -0.02 0.55 -4.23 0.40 -4.25 115.64 105.67 1ujx s THR 68 Ca 0.43 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.91 1ujx s THR 68 Cb -0.22 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.07 1ujx s THR 68 CO 0.84 0.00 0.09 -0.69 -0.54 0.00 0.00 174.62 174.32 1ujx s VAL 69 N -3.15 0.03 -0.02 2.29 1.01 -0.30 0.59 120.40 120.85 1ujx s VAL 69 Ca 0.27 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 1ujx s VAL 69 Cb 0.06 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.18 1ujx s VAL 69 CO 0.13 -0.13 0.21 0.00 0.00 0.00 0.00 175.10 175.31 1ujx s ALA 70 N -0.39 3.91 -0.16 5.51 0.00 -0.36 0.19 121.76 130.46 1ujx s ALA 70 Ca -0.05 -0.68 -0.03 0.00 0.00 0.00 0.00 51.96 51.20 1ujx s ALA 70 Cb -0.03 -1.96 0.05 0.00 0.00 0.00 0.00 23.12 21.19 1ujx s ALA 70 CO 0.00 0.70 0.04 0.08 0.00 0.00 0.00 175.76 176.58 1ujx s VAL 71 N -1.28 0.33 -0.16 0.00 1.01 0.26 -1.61 120.40 118.96 1ujx s VAL 71 Ca 0.26 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 1ujx s VAL 71 Cb -0.13 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 1ujx s VAL 71 CO 0.16 -0.13 -0.10 -0.75 0.00 0.00 0.00 175.10 174.28 1ujx s LYS 72 N 1.95 3.40 -0.03 2.72 2.20 -0.95 0.11 119.74 129.15 1ujx s LYS 72 Ca 0.01 -0.66 -0.30 0.00 -0.36 0.00 0.00 55.97 54.66 1ujx s LYS 72 Cb -0.16 -2.76 -0.05 0.00 -1.51 0.00 0.00 37.83 33.35 1ujx s LYS 72 CO -0.08 0.08 1.32 -1.14 -0.36 0.00 0.00 175.35 175.18 1ujx s GLN 73 N 0.70 4.31 0.00 4.03 -0.44 -0.95 -0.52 119.66 126.79 1ujx s GLN 73 Ca -0.05 1.84 0.00 0.00 -2.50 0.00 0.00 55.36 54.66 1ujx s GLN 73 Cb -0.15 -3.57 0.00 0.00 -1.64 0.00 0.00 33.01 27.65 1ujx s GLN 73 CO 0.02 -0.53 0.20 1.28 0.50 0.00 0.00 175.29 176.77 1ujx n LEU 74 N 5.33 0.41 0.00 3.68 4.77 0.15 -3.66 117.00 127.69 1ujx n LEU 74 Ca 0.12 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1ujx n LEU 74 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1ujx n LEU 74 CO 0.57 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1ujx n GLY 75 N 0.41 1.56 0.71 -0.72 0.00 0.13 -4.78 105.19 102.50 1ujx n GLY 75 Ca 0.00 -1.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.22 1ujx n GLY 75 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ujx n VAL 76 N 0.00 0.18 -2.08 1.61 3.14 -1.26 -4.70 118.33 115.21 1ujx n VAL 76 Ca 0.00 -0.05 -0.40 0.00 -2.96 0.00 0.00 64.34 60.93 1ujx n VAL 76 Cb 0.00 -1.35 -0.01 0.00 -1.06 0.00 0.00 33.84 31.42 1ujx n VAL 76 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1ujx s ASN 77 N -5.09 6.61 -0.26 6.55 0.01 -1.26 -4.34 114.94 117.16 1ujx s ASN 77 Ca -0.05 2.69 -0.29 0.00 -0.71 0.00 0.00 52.86 54.50 1ujx s ASN 77 Cb 0.02 -2.65 -0.01 0.00 0.41 0.00 0.00 41.25 39.02 1ujx s ASN 77 CO 0.06 -0.65 1.33 -2.16 -1.51 0.00 0.00 177.10 174.17 1ujx s PRO 78 N -1.96 3.98 0.33 -0.60 0.04 -1.26 -4.78 135.00 130.76 1ujx s PRO 78 Ca 0.52 1.40 -0.14 0.00 0.04 0.00 0.00 61.00 62.82 1ujx s PRO 78 Cb -0.39 -3.87 -0.09 0.00 0.04 0.00 0.00 34.50 30.19 1ujx s PRO 78 CO 0.52 -1.04 0.74 -1.12 0.04 0.00 0.00 177.00 176.14 1ujx s SER 79 N 2.75 6.73 -0.30 6.66 0.01 -1.26 -4.71 113.70 123.58 1ujx s SER 79 Ca 0.58 1.25 -0.11 0.00 1.31 0.00 0.00 55.95 58.98 1ujx s SER 79 Cb -0.19 -2.36 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 1ujx s SER 79 CO 0.22 -0.24 0.18 -0.89 0.41 0.00 0.00 173.24 172.92 1ujx s THR 80 N -2.05 4.94 -1.10 1.44 2.01 -1.21 0.22 115.64 119.90 1ujx s THR 80 Ca 0.54 -0.17 -0.07 0.00 0.31 0.00 0.00 61.69 62.30 1ujx s THR 80 Cb -0.10 -3.45 0.29 0.00 0.01 0.00 0.00 72.50 69.25 1ujx s THR 80 CO 0.20 0.13 1.31 0.52 -0.69 0.00 0.00 174.62 176.08 1ujx n VAL 81 N 5.03 4.97 0.00 3.82 0.31 0.16 -1.63 118.33 130.99 1ujx n VAL 81 Ca -0.14 -5.67 0.00 0.00 -0.01 0.00 0.00 64.34 58.53 1ujx n VAL 81 Cb 0.50 -2.33 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 1ujx n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ujx n GLY 82 N 1.99 1.19 0.06 2.92 0.00 0.03 -3.61 105.19 107.76 1ujx n GLY 82 Ca 0.25 -0.53 0.03 0.00 0.00 0.00 0.00 46.02 45.77 1ujx n GLY 82 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ujx n VAL 83 N 0.00 1.08 -4.86 1.61 3.14 -1.26 -4.87 118.33 113.17 1ujx n VAL 83 Ca 0.00 -1.19 -0.26 0.00 -2.96 0.00 0.00 64.34 59.92 1ujx n VAL 83 Cb 0.00 0.34 -0.15 0.00 -1.06 0.00 0.00 33.84 32.97 1ujx n VAL 83 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1ujx s GLN 84 N -1.38 1.55 -0.23 1.45 0.74 -1.24 -5.12 119.66 115.44 1ujx s GLN 84 Ca 0.10 -0.82 -0.14 0.00 0.05 0.00 0.00 55.36 54.55 1ujx s GLN 84 Cb 0.08 -1.57 -0.04 0.00 1.10 0.00 0.00 33.01 32.59 1ujx s GLN 84 CO 0.01 0.42 0.31 -2.00 -0.55 0.00 0.00 175.29 173.47 1ujx s GLU 85 N -0.76 4.10 0.17 1.67 2.12 -1.26 0.39 118.70 125.12 1ujx s GLU 85 Ca 0.08 -0.01 -0.03 0.00 0.36 0.00 0.00 54.97 55.37 1ujx s GLU 85 Cb -0.08 -3.57 0.04 0.00 0.26 0.00 0.00 34.13 30.78 1ujx s GLU 85 CO 0.00 -0.06 0.23 1.28 -0.54 0.00 0.00 175.26 176.17 1ujx n LEU 86 N 4.61 0.00 -4.04 2.70 4.77 0.60 -4.95 117.00 120.69 1ujx n LEU 86 Ca -0.11 -0.27 -0.10 0.00 -0.03 0.00 0.00 56.01 55.50 1ujx n LEU 86 Cb 0.51 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1ujx n LEU 86 CO 0.37 -0.66 0.11 -0.54 -1.33 0.00 0.00 177.39 175.34 1ujx s LYS 87 N -3.45 1.55 -1.03 3.23 1.02 -1.26 -4.21 119.74 115.59 1ujx s LYS 87 Ca 0.13 -1.39 -0.23 0.00 0.02 0.00 0.00 55.97 54.50 1ujx s LYS 87 Cb -0.00 0.43 0.00 0.00 -0.52 0.00 0.00 37.83 37.74 1ujx s LYS 87 CO 0.09 -0.63 1.72 -1.25 -0.92 0.00 0.00 175.35 174.37 1ujx s PRO 88 N -3.87 3.13 0.00 -1.68 0.04 -1.26 -1.89 135.00 129.47 1ujx s PRO 88 Ca 0.26 -0.94 0.00 0.00 0.04 0.00 0.00 61.00 60.37 1ujx s PRO 88 Cb 0.01 -5.26 0.00 0.00 0.04 0.00 0.00 34.50 29.29 1ujx s PRO 88 CO 0.11 -2.85 0.00 0.41 0.04 0.00 0.00 177.00 174.71 1ujx n GLY 89 N 6.56 0.43 2.91 0.56 0.00 -1.24 -5.06 105.19 109.35 1ujx n GLY 89 Ca 0.39 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.22 1ujx n GLY 89 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ujx n LEU 90 N 0.00 0.00 -3.65 0.99 7.94 -0.79 -4.91 117.00 116.57 1ujx n LEU 90 Ca 0.00 -1.44 -0.10 0.00 -1.11 0.00 0.00 56.01 53.36 1ujx n LEU 90 Cb 0.00 -0.57 -0.08 0.00 0.53 0.00 0.00 43.42 43.30 1ujx n LEU 90 CO 0.00 -0.97 0.30 -0.44 -1.11 0.00 0.00 177.39 175.17 1ujx s SER 91 N -4.24 -0.77 0.18 1.96 0.01 -1.26 -2.24 113.70 107.34 1ujx s SER 91 Ca 0.52 1.34 0.03 0.00 1.31 0.00 0.00 55.95 59.15 1ujx s SER 91 Cb -0.02 1.27 -0.01 0.00 0.21 0.00 0.00 66.02 67.46 1ujx s SER 91 CO 0.35 -0.23 0.11 0.61 0.41 0.00 0.00 173.24 174.50 1ujx n GLY 92 N 3.63 3.55 3.14 3.44 0.00 0.31 -4.98 105.19 114.27 1ujx n GLY 92 Ca -0.18 -1.88 -0.14 0.00 0.00 0.00 0.00 46.02 43.82 1ujx n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujx s SER 93 N -2.22 1.26 0.03 1.61 1.04 -1.26 0.92 113.70 115.09 1ujx s SER 93 Ca 0.16 -0.72 0.06 0.00 0.48 0.00 0.00 55.95 55.93 1ujx s SER 93 Cb 0.01 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 1ujx s SER 93 CO 0.11 -0.24 -0.14 -0.76 0.98 0.00 0.00 173.24 173.19 1ujx s LEU 94 N -2.13 2.80 0.44 2.42 2.01 0.50 -4.89 118.68 119.82 1ujx s LEU 94 Ca 0.00 -0.34 0.07 0.00 0.01 0.00 0.00 54.13 53.87 1ujx s LEU 94 Cb -0.05 -1.63 -0.03 0.00 0.01 0.00 0.00 46.19 44.49 1ujx s LEU 94 CO -0.00 0.26 0.28 -0.44 1.01 0.00 0.00 176.35 177.46 1ujx s SER 95 N -1.47 4.66 -0.18 2.29 0.01 -1.26 -1.15 113.70 116.61 1ujx s SER 95 Ca 0.16 -1.00 -0.29 0.00 1.31 0.00 0.00 55.95 56.13 1ujx s SER 95 Cb -0.11 -0.36 -0.04 0.00 0.21 0.00 0.00 66.02 65.73 1ujx s SER 95 CO 0.06 -0.67 1.66 -0.76 0.41 0.00 0.00 173.24 173.95 1ujx s LEU 96 N -4.04 3.98 0.00 2.44 1.43 -1.26 -1.45 118.68 119.79 1ujx s LEU 96 Ca 0.42 1.80 0.00 0.00 -1.03 0.00 0.00 54.13 55.32 1ujx s LEU 96 Cb 0.01 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1ujx s LEU 96 CO 0.24 -1.21 0.00 0.61 0.23 0.00 0.00 176.35 176.22 1ujx n GLY 97 N 4.58 3.33 3.71 -3.19 0.00 -0.31 -5.00 105.19 108.32 1ujx n GLY 97 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1ujx n GLY 97 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ujx s ASP 98 N -1.05 3.67 0.13 1.61 1.01 -0.53 -4.60 116.67 116.91 1ujx s ASP 98 Ca 0.00 2.10 0.07 0.00 0.71 0.00 0.00 52.55 55.42 1ujx s ASP 98 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1ujx s ASP 98 CO 0.00 -2.60 -0.04 -0.69 0.21 0.00 0.00 175.17 172.06 1ujx s VAL 99 N -2.62 3.68 -0.48 -1.27 1.01 -1.26 -1.67 120.40 117.79 1ujx s VAL 99 Ca 0.66 -1.25 0.03 0.00 0.00 0.00 0.00 61.98 61.42 1ujx s VAL 99 Cb -0.22 -2.78 0.15 0.00 0.00 0.00 0.00 36.38 33.54 1ujx s VAL 99 CO 0.55 0.03 0.33 -0.22 0.00 0.00 0.00 175.10 175.78 1ujx s LEU 100 N -2.52 2.54 -0.54 3.92 2.96 -1.23 -0.79 118.68 123.02 1ujx s LEU 100 Ca 0.25 -3.00 -0.26 0.00 -0.22 0.00 0.00 54.13 50.90 1ujx s LEU 100 Cb -0.11 -0.90 -0.08 0.00 0.50 0.00 0.00 46.19 45.61 1ujx s LEU 100 CO 0.17 -0.20 2.39 -0.31 -1.32 0.00 0.00 176.35 177.08 1ujx s TYR 101 N -0.06 1.10 0.14 5.38 2.02 -0.64 -2.34 117.35 122.95 1ujx s TYR 101 Ca 0.24 1.60 -0.22 0.00 -0.37 0.00 0.00 57.07 58.32 1ujx s TYR 101 Cb -0.10 -3.58 0.01 0.00 -0.40 0.00 0.00 41.96 37.88 1ujx s TYR 101 CO -0.10 -2.39 1.24 -0.11 -1.57 0.00 0.00 175.55 172.61 1ujx n LEU 102 N 16.20 -0.77 -3.82 -1.29 0.00 -0.57 -3.31 117.00 123.44 1ujx n LEU 102 Ca 0.38 1.42 -0.05 0.00 0.00 0.00 0.00 56.01 57.75 1ujx n LEU 102 Cb 0.53 -0.22 0.00 0.00 0.00 0.00 0.00 43.42 43.74 1ujx n LEU 102 CO 0.69 -1.18 0.65 0.54 0.00 0.00 0.00 177.39 178.08 1ujx s VAL 103 N -5.49 0.00 -0.90 1.96 0.11 -1.22 -4.65 120.40 110.21 1ujx s VAL 103 Ca -0.10 -0.79 -0.08 0.00 -2.93 0.00 0.00 61.98 58.08 1ujx s VAL 103 Cb 0.11 -2.40 0.08 0.00 -1.53 0.00 0.00 36.38 32.63 1ujx s VAL 103 CO 0.52 0.00 0.28 -3.20 -3.33 0.00 0.00 175.10 169.36 1ujx n ASN 104 N -0.85 -2.19 -1.42 3.54 2.85 -1.26 0.19 115.26 116.11 1ujx n ASN 104 Ca -0.05 -0.19 -0.10 0.00 -0.11 0.00 0.00 54.58 54.13 1ujx n ASN 104 Cb 0.60 -1.91 -0.04 0.00 1.24 0.00 0.00 39.78 39.67 1ujx n ASN 104 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ujx n GLY 105 N -0.84 0.79 0.51 8.20 0.00 -1.26 -4.87 105.19 107.72 1ujx n GLY 105 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 1ujx n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ujx n LEU 106 N -1.78 0.00 -3.92 0.99 4.77 0.49 -4.85 117.00 112.69 1ujx n LEU 106 Ca -0.10 -0.44 -0.40 0.00 -0.03 0.00 0.00 56.01 55.04 1ujx n LEU 106 Cb 0.36 0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1ujx n LEU 106 CO 0.15 -0.07 -0.14 -1.22 -1.33 0.00 0.00 177.39 174.77 1ujx n TYR 107 N -0.20 -1.63 -2.53 -1.77 4.01 -1.26 -2.28 117.16 111.50 1ujx n TYR 107 Ca -0.03 0.27 -0.37 0.00 -0.16 0.00 0.00 57.90 57.62 1ujx n TYR 107 Cb 0.09 -2.97 -0.04 0.00 -0.31 0.00 0.00 39.34 36.11 1ujx n TYR 107 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1ujx s PRO 108 N -6.69 4.20 -0.63 -0.72 0.04 -1.26 -1.52 135.00 128.43 1ujx s PRO 108 Ca 0.42 1.55 0.05 0.00 0.04 0.00 0.00 61.00 63.06 1ujx s PRO 108 Cb -0.21 -2.61 0.16 0.00 0.04 0.00 0.00 34.50 31.88 1ujx s PRO 108 CO 0.93 -0.11 0.42 -0.51 0.04 0.00 0.00 177.00 177.77 1ujx s LEU 109 N -2.52 4.32 0.30 -3.56 2.01 -0.99 -4.55 118.68 113.70 1ujx s LEU 109 Ca 0.56 -3.57 -0.30 0.00 0.01 0.00 0.00 54.13 50.84 1ujx s LEU 109 Cb -0.23 -1.50 -0.11 0.00 0.01 0.00 0.00 46.19 44.35 1ujx s LEU 109 CO 0.29 -0.13 1.60 -0.89 1.01 0.00 0.00 176.35 178.24 1ujx s THR 110 N -1.02 2.01 0.10 5.49 2.01 -1.23 -3.49 115.64 119.51 1ujx s THR 110 Ca 0.24 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 62.06 1ujx s THR 110 Cb -0.09 -3.00 -0.07 0.00 0.01 0.00 0.00 72.50 69.35 1ujx s THR 110 CO -0.13 0.00 0.58 -0.22 -0.69 0.00 0.00 174.62 174.16 1ujx s LEU 111 N -0.59 4.48 0.01 4.42 2.96 -0.67 0.79 118.68 130.07 1ujx s LEU 111 Ca 0.63 1.25 -0.06 0.00 -0.22 0.00 0.00 54.13 55.73 1ujx s LEU 111 Cb -0.48 -3.03 -0.00 0.00 0.50 0.00 0.00 46.19 43.17 1ujx s LEU 111 CO 0.49 0.22 0.10 -0.13 -1.32 0.00 0.00 176.35 175.71 1ujx s ARG 112 N -1.34 0.44 -0.06 1.98 1.81 0.83 -1.16 118.95 121.46 1ujx s ARG 112 Ca 0.32 -0.45 0.03 0.00 -1.72 0.00 0.00 55.73 53.92 1ujx s ARG 112 Cb -0.18 0.18 0.00 0.00 -0.45 0.00 0.00 34.95 34.50 1ujx s ARG 112 CO 0.19 -0.10 -0.16 -0.46 -0.68 0.00 0.00 175.30 174.10 1ujx s TRP 113 N -1.40 1.67 0.29 -0.53 -0.11 -1.26 -1.03 118.94 116.57 1ujx s TRP 113 Ca -0.15 -0.55 -0.24 0.00 1.22 0.00 0.00 56.10 56.38 1ujx s TRP 113 Cb -0.08 -1.16 -0.09 0.00 -1.50 0.00 0.00 33.47 30.64 1ujx s TRP 113 CO 0.01 -0.23 0.88 0.45 -4.62 0.00 0.00 176.95 173.44 1ujx s SER 114 N 0.29 7.25 0.00 5.86 0.15 -0.35 -4.88 113.70 122.02 1ujx s SER 114 Ca -0.09 1.70 0.00 0.00 0.70 0.00 0.00 55.95 58.26 1ujx s SER 114 Cb -0.13 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1ujx s SER 114 CO 0.03 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1ujx n GLY 115 N 0.59 3.30 3.28 9.45 0.00 -1.26 -3.46 105.19 117.09 1ujx n GLY 115 Ca 0.01 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 1ujx n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ujx n PRO 116 N 0.00 2.29 0.13 1.61 -0.04 -1.26 -3.86 135.00 133.87 1ujx n PRO 116 Ca 0.00 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 60.89 1ujx n PRO 116 Cb 0.00 -3.38 0.00 0.00 -0.04 0.00 0.00 33.50 30.08 1ujx n PRO 116 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ujx n SER 117 N 9.27 -0.94 -4.82 3.54 7.64 -1.26 -5.12 113.62 121.93 1ujx n SER 117 Ca 0.49 0.47 -0.27 0.00 1.01 0.00 0.00 58.87 60.57 1ujx n SER 117 Cb 0.43 1.04 -0.05 0.00 -1.01 0.00 0.00 64.21 64.62 1ujx n SER 117 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ujx s SER 118 N -4.27 5.68 0.00 6.43 0.15 -1.25 -5.28 113.70 115.16 1ujx s SER 118 Ca 0.00 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1ujx s SER 118 Cb 0.00 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.77 1ujx s SER 118 CO 0.00 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.13