#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujx s SER 2 N 0.00 4.13 -0.20 1.61 1.04 -1.26 -4.84 113.70 114.19 1ujx s SER 2 Ca 0.00 -0.21 -0.02 0.00 0.48 0.00 0.00 55.95 56.20 1ujx s SER 2 Cb 0.00 -0.87 0.00 0.00 0.10 0.00 0.00 66.02 65.25 1ujx s SER 2 CO 0.00 0.32 0.05 -1.20 0.98 0.00 0.00 173.24 173.40 1ujx n SER 3 N 2.07 -7.38 -4.12 7.02 7.64 -1.26 -4.99 113.62 112.61 1ujx n SER 3 Ca -0.17 0.94 -0.33 0.00 1.01 0.00 0.00 58.87 60.32 1ujx n SER 3 Cb 0.52 -3.74 -0.16 0.00 -1.01 0.00 0.00 64.21 59.82 1ujx n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ujx s GLY 4 N -1.43 1.35 0.02 0.23 0.00 -1.26 -4.99 107.32 101.24 1ujx s GLY 4 Ca 0.03 -1.16 -0.05 0.00 0.00 0.00 0.00 44.72 43.53 1ujx s GLY 4 CO 0.48 0.25 -0.10 -1.26 0.00 0.00 0.00 173.10 172.47 1ujx n SER 5 N 4.53 1.35 -1.22 1.64 2.88 -1.26 -5.14 113.62 116.40 1ujx n SER 5 Ca -0.20 0.19 0.15 0.00 -1.33 0.00 0.00 58.87 57.68 1ujx n SER 5 Cb 0.50 -0.46 -0.08 0.00 -0.75 0.00 0.00 64.21 63.43 1ujx n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ujx n SER 6 N -3.77 -6.62 -2.81 -3.46 7.64 -1.26 -4.98 113.62 98.36 1ujx n SER 6 Ca -0.04 1.23 -0.03 0.00 1.01 0.00 0.00 58.87 61.04 1ujx n SER 6 Cb 0.15 -4.19 -0.02 0.00 -1.01 0.00 0.00 64.21 59.14 1ujx n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujx n GLY 7 N -3.98 -3.23 3.35 0.23 0.00 -1.26 -5.05 105.19 95.25 1ujx n GLY 7 Ca -0.08 0.96 0.02 0.00 0.00 0.00 0.00 46.02 46.92 1ujx n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ujx s MET 8 N -0.68 0.26 0.23 1.61 -2.45 -1.26 -5.18 119.30 111.83 1ujx s MET 8 Ca -0.14 0.63 -0.22 0.00 -1.25 0.00 0.00 55.69 54.71 1ujx s MET 8 Cb 0.01 0.38 0.04 0.00 1.25 0.00 0.00 34.83 36.51 1ujx s MET 8 CO 0.51 -0.10 0.73 -1.54 1.05 0.00 0.00 175.02 175.66 1ujx s SER 9 N 2.44 -0.33 -0.37 1.11 1.04 -1.26 -5.13 113.70 111.21 1ujx s SER 9 Ca -0.02 -0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.00 1ujx s SER 9 Cb -0.06 0.66 0.11 0.00 0.10 0.00 0.00 66.02 66.83 1ujx s SER 9 CO -0.17 -1.18 0.14 -1.10 0.98 0.00 0.00 173.24 171.91 1ujx s GLN 10 N -3.78 1.08 0.37 4.02 -1.52 -1.26 -5.11 119.66 113.48 1ujx s GLN 10 Ca 0.09 -1.58 0.08 0.00 -1.95 0.00 0.00 55.36 51.99 1ujx s GLN 10 Cb -0.04 -2.37 -0.07 0.00 -0.22 0.00 0.00 33.01 30.31 1ujx s GLN 10 CO 0.01 -1.04 -0.03 -0.51 -0.25 0.00 0.00 175.29 173.47 1ujx s LEU 11 N 1.00 2.77 -0.11 2.90 1.43 -1.26 -5.15 118.68 120.25 1ujx s LEU 11 Ca 0.13 -1.30 -0.08 0.00 -1.03 0.00 0.00 54.13 51.85 1ujx s LEU 11 Cb -0.20 -0.90 0.04 0.00 0.03 0.00 0.00 46.19 45.16 1ujx s LEU 11 CO -0.13 -0.36 0.28 -0.83 0.23 0.00 0.00 176.35 175.55 1ujx s GLY 12 N -3.65 -0.20 -0.18 -3.19 0.00 -1.26 -5.12 107.32 93.73 1ujx s GLY 12 Ca 0.34 0.98 -0.29 0.00 0.00 0.00 0.00 44.72 45.75 1ujx s GLY 12 CO 0.17 1.06 1.42 -0.56 0.00 0.00 0.00 173.10 175.18 1ujx s SER 13 N 0.78 6.74 0.28 1.64 0.01 -1.26 -4.99 113.70 116.90 1ujx s SER 13 Ca -0.05 1.71 0.02 0.00 1.31 0.00 0.00 55.95 58.94 1ujx s SER 13 Cb -0.06 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1ujx s SER 13 CO -0.05 -0.94 0.12 -0.13 0.41 0.00 0.00 173.24 172.65 1ujx s ARG 14 N 3.94 1.48 0.00 12.44 1.81 -1.26 -5.16 118.95 132.21 1ujx s ARG 14 Ca 0.62 -1.82 0.00 0.00 -1.72 0.00 0.00 55.73 52.81 1ujx s ARG 14 Cb -0.24 -0.17 0.00 0.00 -0.45 0.00 0.00 34.95 34.09 1ujx s ARG 14 CO 0.22 -0.37 0.00 0.41 -0.68 0.00 0.00 175.30 174.88 1ujx n GLY 15 N -0.51 1.33 3.06 -3.53 0.00 -1.26 -4.88 105.19 99.40 1ujx n GLY 15 Ca 0.00 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 1ujx n GLY 15 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ujx s ARG 16 N 1.36 0.22 0.61 1.61 1.70 -1.25 -4.99 118.95 118.20 1ujx s ARG 16 Ca 0.00 0.36 -0.13 0.00 -0.47 0.00 0.00 55.73 55.49 1ujx s ARG 16 Cb 0.00 0.03 -0.04 0.00 -0.57 0.00 0.00 34.95 34.37 1ujx s ARG 16 CO 0.00 -0.08 1.03 -0.51 -1.08 0.00 0.00 175.30 174.66 1ujx s LEU 17 N 0.51 3.34 0.16 -1.89 1.43 -1.26 -1.70 118.68 119.26 1ujx s LEU 17 Ca -0.03 1.56 -0.24 0.00 -1.03 0.00 0.00 54.13 54.38 1ujx s LEU 17 Cb -0.05 -4.49 0.07 0.00 0.03 0.00 0.00 46.19 41.75 1ujx s LEU 17 CO -0.03 -0.98 0.98 -1.66 0.23 0.00 0.00 176.35 174.89 1ujx s TRP 18 N -2.92 -0.09 -0.05 0.29 1.48 -0.04 -2.60 118.94 115.01 1ujx s TRP 18 Ca 0.58 -0.23 0.04 0.00 -1.06 0.00 0.00 56.10 55.42 1ujx s TRP 18 Cb -0.12 0.65 -0.03 0.00 -1.16 0.00 0.00 33.47 32.81 1ujx s TRP 18 CO 0.47 -0.85 -0.14 -0.51 -4.06 0.00 0.00 176.95 171.86 1ujx s LEU 19 N -3.02 2.74 -0.36 -4.66 1.43 -1.02 -0.10 118.68 113.70 1ujx s LEU 19 Ca 0.14 -0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.01 1ujx s LEU 19 Cb -0.01 -1.56 0.08 0.00 0.03 0.00 0.00 46.19 44.73 1ujx s LEU 19 CO 0.03 0.34 0.13 -1.58 0.23 0.00 0.00 176.35 175.50 1ujx s GLN 20 N -0.72 2.28 0.09 1.70 0.74 0.43 -4.15 119.66 120.03 1ujx s GLN 20 Ca 0.11 -1.52 -0.05 0.00 0.05 0.00 0.00 55.36 53.96 1ujx s GLN 20 Cb -0.11 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.51 1ujx s GLN 20 CO 0.01 -0.85 0.32 -1.54 -0.55 0.00 0.00 175.29 172.67 1ujx s SER 21 N 1.60 6.48 0.88 6.67 1.04 -1.26 -2.89 113.70 126.21 1ujx s SER 21 Ca 0.02 0.53 -0.12 0.00 0.48 0.00 0.00 55.95 56.86 1ujx s SER 21 Cb -0.21 -2.07 0.12 0.00 0.10 0.00 0.00 66.02 63.96 1ujx s SER 21 CO -0.02 0.13 1.13 -2.16 0.98 0.00 0.00 173.24 173.31 1ujx s PRO 22 N -2.35 1.38 0.43 4.02 0.04 -1.26 -4.90 135.00 132.37 1ujx s PRO 22 Ca 0.36 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1ujx s PRO 22 Cb -0.13 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1ujx s PRO 22 CO 0.23 -2.05 0.00 2.41 0.04 0.00 0.00 177.00 177.63 1ujx n THR 23 N -3.68 -0.16 -0.05 1.26 -1.04 -1.26 -4.17 114.28 105.18 1ujx n THR 23 Ca 0.07 0.49 -0.10 0.00 -2.04 0.00 0.00 64.05 62.46 1ujx n THR 23 Cb 0.59 -0.90 0.06 0.00 -1.82 0.00 0.00 70.33 68.26 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 -4.02 3.14 0.00 3.41 0.00 -1.26 -4.81 105.19 101.66 1ujx n GLY 24 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.04 -3.21 3.81 -0.02 0.00 -1.26 -4.92 105.19 99.56 1ujx n GLY 25 Ca 0.24 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 2.46 0.99 1.61 0.04 -1.26 -5.06 135.00 133.78 1ujx s PRO 26 Ca 0.00 0.78 -0.15 0.00 0.04 0.00 0.00 61.00 61.67 1ujx s PRO 26 Cb 0.00 -1.95 0.19 0.00 0.04 0.00 0.00 34.50 32.78 1ujx s PRO 26 CO 0.00 -1.39 1.17 -1.25 0.04 0.00 0.00 177.00 175.57 1ujx s PRO 27 N -5.11 0.50 -0.08 0.56 0.04 -1.26 -4.93 135.00 124.72 1ujx s PRO 27 Ca 0.60 0.05 -0.30 0.00 0.04 0.00 0.00 61.00 61.39 1ujx s PRO 27 Cb -0.14 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 1ujx s PRO 27 CO 0.55 -2.58 1.23 -1.25 0.04 0.00 0.00 177.00 174.99 1ujx s PRO 28 N -5.45 4.31 -0.12 0.56 0.04 -1.26 -4.97 135.00 128.11 1ujx s PRO 28 Ca 0.68 1.69 -0.15 0.00 0.04 0.00 0.00 61.00 63.25 1ujx s PRO 28 Cb -0.11 -3.62 -0.05 0.00 0.04 0.00 0.00 34.50 30.76 1ujx s PRO 28 CO 0.54 -0.53 0.37 0.42 0.04 0.00 0.00 177.00 177.84 1ujx s ILE 29 N 2.61 5.23 -0.39 0.56 1.09 -1.26 -4.98 121.20 124.07 1ujx s ILE 29 Ca 0.56 0.73 -0.13 0.00 -1.10 0.00 0.00 60.65 60.71 1ujx s ILE 29 Cb -0.24 -3.71 0.02 0.00 -1.06 0.00 0.00 42.46 37.47 1ujx s ILE 29 CO 0.20 0.39 0.26 -0.36 -0.10 0.00 0.00 174.94 175.33 1ujx s PHE 30 N 0.29 3.24 0.81 3.97 0.08 -1.26 -2.42 117.98 122.69 1ujx s PHE 30 Ca 0.21 -0.66 -0.13 0.00 0.12 0.00 0.00 56.93 56.47 1ujx s PHE 30 Cb -0.14 -2.52 0.08 0.00 -0.57 0.00 0.00 43.02 39.87 1ujx s PHE 30 CO 0.08 -0.58 1.19 -0.51 -0.10 0.00 0.00 175.22 175.30 1ujx s LEU 31 N 1.64 3.12 0.19 -0.37 1.43 -1.07 -4.94 118.68 118.67 1ujx s LEU 31 Ca 0.04 2.31 -0.30 0.00 -1.03 0.00 0.00 54.13 55.15 1ujx s LEU 31 Cb -0.19 -4.58 -0.08 0.00 0.03 0.00 0.00 46.19 41.37 1ujx s LEU 31 CO 0.09 -2.64 1.12 -2.16 0.23 0.00 0.00 176.35 172.98 1ujx s PRO 32 N -4.22 4.58 -0.03 1.29 0.04 -1.26 -4.65 135.00 130.74 1ujx s PRO 32 Ca 0.72 1.75 0.09 0.00 0.04 0.00 0.00 61.00 63.60 1ujx s PRO 32 Cb -0.27 -3.26 -0.23 0.00 0.04 0.00 0.00 34.50 30.77 1ujx s PRO 32 CO 0.51 0.06 0.70 0.77 0.04 0.00 0.00 177.00 179.07 1ujx h SER 33 N 5.04 0.06 -1.31 6.66 0.02 -1.91 -3.33 113.55 118.78 1ujx h SER 33 Ca -0.44 -0.13 0.38 0.00 -0.84 0.00 0.00 61.79 60.76 1ujx h SER 33 Cb 1.21 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.68 1ujx h SER 33 CO 0.72 1.11 0.96 -0.78 -1.14 0.00 0.00 176.83 177.71 1ujx h ASP 34 N 0.01 0.00 0.00 3.07 1.82 -1.92 -3.44 116.42 115.97 1ujx h ASP 34 Ca -0.27 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 1ujx h ASP 34 Cb 1.99 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.00 1ujx h ASP 34 CO 0.09 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.33 1ujx n GLY 35 N -1.79 0.98 3.44 -0.78 0.00 -1.25 -5.12 105.19 100.67 1ujx n GLY 35 Ca 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.79 -4.04 1.61 6.02 -1.26 -4.83 117.38 113.08 1ujx n GLN 36 Ca 0.00 -0.49 -0.34 0.00 -0.01 0.00 0.00 57.00 56.16 1ujx n GLN 36 Cb 0.00 -2.05 -0.15 0.00 1.02 0.00 0.00 30.24 29.06 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 -2.39 2.61 -0.35 -1.58 0.00 -1.26 -4.17 121.76 114.62 1ujx s ALA 37 Ca 0.64 -1.18 -0.14 0.00 0.00 0.00 0.00 51.96 51.28 1ujx s ALA 37 Cb -0.21 -1.47 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 1ujx s ALA 37 CO 0.65 -0.37 0.31 -1.17 0.00 0.00 0.00 175.76 175.18 1ujx s LEU 38 N 1.35 4.52 -0.09 0.00 2.96 0.48 -4.86 118.68 123.05 1ujx s LEU 38 Ca 0.05 -0.35 -0.23 0.00 -0.22 0.00 0.00 54.13 53.38 1ujx s LEU 38 Cb -0.14 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 1ujx s LEU 38 CO -0.07 -0.31 0.67 -0.69 -1.32 0.00 0.00 176.35 174.63 1ujx s VAL 39 N 1.89 5.06 0.46 1.68 1.01 -1.26 0.14 120.40 129.38 1ujx s VAL 39 Ca 0.09 1.36 0.08 0.00 0.00 0.00 0.00 61.98 63.52 1ujx s VAL 39 Cb -0.17 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.23 1ujx s VAL 39 CO 0.11 0.25 0.60 -0.76 0.00 0.00 0.00 175.10 175.29 1ujx s LEU 40 N 0.89 3.46 0.00 3.92 1.43 -0.35 -4.94 118.68 123.10 1ujx s LEU 40 Ca 0.35 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1ujx s LEU 40 Cb -0.17 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.76 1ujx s LEU 40 CO 0.16 -0.90 0.00 0.61 0.23 0.00 0.00 176.35 176.45 1ujx n GLY 41 N -1.91 0.05 3.75 -3.19 0.00 -1.26 -2.27 105.19 100.36 1ujx n GLY 41 Ca 0.09 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 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 4.37 0.00 1.61 0.52 -1.24 -4.48 118.95 117.73 1ujx s ARG 42 Ca 0.00 2.15 0.00 0.00 -0.52 0.00 0.00 55.73 57.36 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 -0.22 0.00 0.41 0.02 0.00 0.00 175.30 175.51 1ujx n GLY 43 N 1.56 0.34 0.00 -3.53 0.00 -0.11 -4.65 105.19 98.80 1ujx n GLY 43 Ca 0.03 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.97 0.74 0.49 1.61 -0.04 -1.26 -1.66 135.00 133.90 1ujx n PRO 44 Ca 0.00 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.27 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 -1.05 -2.78 1.53 4.07 -1.89 -3.31 115.31 111.88 1ujx h LEU 45 Ca 0.00 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1ujx h LEU 45 Cb 0.01 0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1ujx h LEU 45 CO 0.00 -0.73 0.00 0.35 -1.08 0.00 0.00 178.44 176.98 1ujx n THR 46 N -5.46 0.91 -1.71 0.22 -2.24 -1.24 -4.82 114.28 99.94 1ujx n THR 46 Ca -0.15 -0.95 -0.16 0.00 -2.27 0.00 0.00 64.05 60.52 1ujx n THR 46 Cb 0.49 0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 69.23 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 0.11 -1.13 -3.04 -0.78 1.13 -0.66 -4.74 117.38 108.27 1ujx n GLN 47 Ca 0.06 0.96 -0.40 0.00 -1.94 0.00 0.00 57.00 55.68 1ujx n GLN 47 Cb 0.34 -5.18 -0.05 0.00 0.11 0.00 0.00 30.24 25.46 1ujx n GLN 47 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1ujx s VAL 48 N -2.64 5.04 -0.06 5.09 1.01 -1.03 -4.92 120.40 122.90 1ujx s VAL 48 Ca 0.00 1.44 0.09 0.00 0.00 0.00 0.00 61.98 63.51 1ujx s VAL 48 Cb 0.00 -4.04 0.13 0.00 0.00 0.00 0.00 36.38 32.47 1ujx s VAL 48 CO 0.00 0.24 1.07 0.35 0.00 0.00 0.00 175.10 176.76 1ujx n THR 49 N 3.84 0.83 -2.73 3.92 -2.24 -1.26 -0.93 114.28 115.71 1ujx n THR 49 Ca -0.01 -1.02 -0.40 0.00 -2.27 0.00 0.00 64.05 60.35 1ujx n THR 49 Cb 0.51 0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.84 7.60 0.57 3.42 -1.08 -1.26 -4.92 116.67 119.16 1ujx s ASP 50 Ca 0.14 1.93 0.33 0.00 -0.52 0.00 0.00 52.55 54.44 1ujx s ASP 50 Cb 0.13 -2.61 1.71 0.00 -1.46 0.00 0.00 42.92 40.69 1ujx s ASP 50 CO 0.01 0.10 2.14 0.03 0.52 0.00 0.00 175.17 177.98 1ujx h ARG 51 N 4.43 0.00 0.00 4.34 3.08 -2.05 -0.51 114.38 123.67 1ujx h ARG 51 Ca -0.45 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.52 1ujx h ARG 51 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1ujx h ARG 51 CO 0.69 0.06 -0.38 0.87 -1.07 0.00 0.00 179.97 180.14 1ujx h LYS 52 N 0.00 0.00 -6.38 0.04 1.79 -2.02 -3.42 116.57 106.57 1ujx h LYS 52 Ca -0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 1ujx h LYS 52 Cb 0.26 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 1ujx h LYS 52 CO 0.01 0.38 0.29 0.00 -1.08 0.00 0.00 179.45 179.04 1ujx s SER 54 N 0.47 4.89 0.38 0.00 0.01 -1.26 -4.44 113.70 113.76 1ujx s SER 54 Ca 0.46 0.00 0.27 0.00 1.31 0.00 0.00 55.95 57.99 1ujx s SER 54 Cb -0.21 -1.45 1.31 0.00 0.21 0.00 0.00 66.02 65.88 1ujx s SER 54 CO 0.26 0.31 1.39 0.54 0.41 0.00 0.00 173.24 176.16 1ujx n ARG 55 N 2.57 -0.04 -3.20 12.44 1.74 -1.26 -0.02 116.66 128.90 1ujx n ARG 55 Ca -0.18 1.14 -0.26 0.00 -0.77 0.00 0.00 57.85 57.78 1ujx n ARG 55 Cb 0.53 -2.20 -0.06 0.00 -1.02 0.00 0.00 32.46 29.71 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 -4.58 3.17 0.21 0.55 5.03 -1.26 -4.11 115.26 114.28 1ujx n ASN 56 Ca 0.36 -3.37 -0.09 0.00 0.87 0.00 0.00 54.58 52.34 1ujx n ASN 56 Cb 1.36 -0.62 -0.04 0.00 -1.02 0.00 0.00 39.78 39.45 1ujx n ASN 56 CO 0.00 0.00 0.00 -0.61 -1.83 0.00 0.00 177.26 174.82 1ujx h GLN 57 N 3.62 -0.58 -4.56 3.52 5.75 0.00 -1.54 115.11 121.32 1ujx h GLN 57 Ca 0.15 0.04 -0.21 0.00 -0.15 0.00 0.00 58.65 58.48 1ujx h GLN 57 Cb 0.67 0.13 -0.15 0.00 1.07 0.00 0.00 27.48 29.21 1ujx h GLN 57 CO 0.74 -0.39 -0.67 0.14 -2.65 0.00 0.00 178.83 176.00 1ujx s VAL 58 N -3.53 0.47 -0.18 2.39 -7.23 -1.25 0.30 120.40 111.37 1ujx s VAL 58 Ca -0.09 -1.92 -0.02 0.00 -1.81 0.00 0.00 61.98 58.14 1ujx s VAL 58 Cb 0.01 -1.85 -0.01 0.00 0.56 0.00 0.00 36.38 35.09 1ujx s VAL 58 CO 0.26 -0.70 -0.08 -0.70 -0.31 0.00 0.00 175.10 173.57 1ujx s GLU 59 N -3.92 3.42 -0.22 4.82 2.12 0.18 -1.21 118.70 123.89 1ujx s GLU 59 Ca 0.17 -0.63 -0.06 0.00 0.36 0.00 0.00 54.97 54.80 1ujx s GLU 59 Cb 0.07 -2.85 -0.03 0.00 0.26 0.00 0.00 34.13 31.58 1ujx s GLU 59 CO -0.02 0.02 0.03 -0.51 -0.54 0.00 0.00 175.26 174.25 1ujx s LEU 60 N 0.88 3.35 -0.18 2.70 1.02 0.38 -2.28 118.68 124.54 1ujx s LEU 60 Ca -0.02 -0.20 0.01 0.00 0.02 0.00 0.00 54.13 53.93 1ujx s LEU 60 Cb -0.15 -1.87 0.03 0.00 0.02 0.00 0.00 46.19 44.22 1ujx s LEU 60 CO 0.01 0.02 -0.13 -0.63 0.02 0.00 0.00 176.35 175.63 1ujx s ILE 61 N 1.30 1.67 -0.01 -0.59 1.09 -0.95 0.18 121.20 123.89 1ujx s ILE 61 Ca 0.04 -0.86 -0.30 0.00 -1.10 0.00 0.00 60.65 58.44 1ujx s ILE 61 Cb -0.15 -1.64 -0.04 0.00 -1.06 0.00 0.00 42.46 39.57 1ujx s ILE 61 CO 0.02 0.33 1.20 0.00 -0.10 0.00 0.00 174.94 176.39 1ujx s ALA 62 N 1.42 3.45 -0.51 9.38 0.00 -1.26 -1.67 121.76 132.57 1ujx s ALA 62 Ca 0.02 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.72 1ujx s ALA 62 Cb -0.15 -3.49 0.13 0.00 0.00 0.00 0.00 23.12 19.61 1ujx s ALA 62 CO -0.10 -0.65 0.26 -0.51 0.00 0.00 0.00 175.76 174.76 1ujx s ASP 63 N 1.36 4.23 0.00 0.00 1.01 0.16 -4.56 116.67 118.87 1ujx s ASP 63 Ca 0.57 -2.97 0.24 0.00 0.71 0.00 0.00 52.55 51.09 1ujx s ASP 63 Cb -0.26 -1.56 1.41 0.00 1.01 0.00 0.00 42.92 43.51 1ujx s ASP 63 CO 0.25 -0.23 1.80 -0.81 0.21 0.00 0.00 175.17 176.38 1ujx n PRO 64 N 3.15 0.70 -0.19 8.23 -0.04 -1.26 -0.09 135.00 145.50 1ujx n PRO 64 Ca 0.06 0.01 -0.06 0.00 -0.04 0.00 0.00 63.50 63.46 1ujx n PRO 64 Cb 0.32 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.31 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 0.75 0.00 0.54 5.08 -1.91 -3.31 114.58 115.73 1ujx h GLU 65 Ca 0.00 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1ujx h GLU 65 Cb 0.02 -0.17 -0.10 0.00 0.50 0.00 0.00 28.75 29.01 1ujx h GLU 65 CO 0.00 0.50 -0.62 0.43 -1.00 0.00 0.00 179.01 178.33 1ujx n SER 66 N -4.68 0.33 -3.19 1.42 7.64 -1.21 -5.02 113.62 108.90 1ujx n SER 66 Ca 0.04 -2.05 -0.10 0.00 1.01 0.00 0.00 58.87 57.77 1ujx n SER 66 Cb 0.03 -0.23 0.04 0.00 -1.01 0.00 0.00 64.21 63.04 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 0.07 -1.91 -4.21 1.43 5.12 -0.75 -5.04 116.66 111.38 1ujx n ARG 67 Ca 0.02 1.09 -0.15 0.00 -1.93 0.00 0.00 57.85 56.88 1ujx n ARG 67 Cb 0.81 -5.78 -0.08 0.00 -1.16 0.00 0.00 32.46 26.24 1ujx n ARG 67 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1ujx s THR 68 N -3.25 0.00 -0.10 0.55 -4.23 0.87 -4.25 115.64 105.22 1ujx s THR 68 Ca 0.30 -1.92 -0.08 0.00 -1.18 0.00 0.00 61.69 58.80 1ujx s THR 68 Cb -0.04 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.34 1ujx s THR 68 CO 0.75 0.00 0.27 -0.69 -0.54 0.00 0.00 174.62 174.40 1ujx s VAL 69 N -3.77 -0.01 0.05 2.29 1.01 -0.54 0.38 120.40 119.81 1ujx s VAL 69 Ca 0.38 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.32 1ujx s VAL 69 Cb 0.04 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.98 1ujx s VAL 69 CO 0.19 0.02 0.35 0.00 0.00 0.00 0.00 175.10 175.65 1ujx s ALA 70 N 0.51 3.77 -0.14 5.51 0.00 -0.67 0.19 121.76 130.93 1ujx s ALA 70 Ca -0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 1ujx s ALA 70 Cb -0.05 -2.19 0.04 0.00 0.00 0.00 0.00 23.12 20.92 1ujx s ALA 70 CO -0.03 0.60 -0.03 0.08 0.00 0.00 0.00 175.76 176.38 1ujx s VAL 71 N -1.36 0.83 -0.14 0.00 1.01 0.87 -2.25 120.40 119.37 1ujx s VAL 71 Ca 0.31 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1ujx s VAL 71 Cb -0.14 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1ujx s VAL 71 CO 0.17 0.13 -0.15 -0.75 0.00 0.00 0.00 175.10 174.51 1ujx s LYS 72 N 1.76 2.33 -0.27 2.72 2.20 -0.97 0.19 119.74 127.69 1ujx s LYS 72 Ca 0.02 -0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 54.76 1ujx s LYS 72 Cb -0.14 -2.07 0.00 0.00 -1.51 0.00 0.00 37.83 34.11 1ujx s LYS 72 CO -0.07 -0.18 1.22 -1.14 -0.36 0.00 0.00 175.35 174.82 1ujx s GLN 73 N 1.31 4.04 0.00 4.03 0.74 -1.01 0.48 119.66 129.25 1ujx s GLN 73 Ca 0.01 1.30 0.09 0.00 0.05 0.00 0.00 55.36 56.81 1ujx s GLN 73 Cb -0.14 -3.81 0.07 0.00 1.10 0.00 0.00 33.01 30.24 1ujx s GLN 73 CO -0.08 -0.95 0.79 1.28 -0.55 0.00 0.00 175.29 175.78 1ujx n LEU 74 N 7.14 1.76 0.00 3.68 4.77 0.15 -1.65 117.00 132.86 1ujx n LEU 74 Ca 0.14 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 1ujx n LEU 74 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1ujx n LEU 74 CO 0.60 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1ujx n GLY 75 N 0.52 1.71 0.52 -0.72 0.00 0.68 -4.79 105.19 103.11 1ujx n GLY 75 Ca 0.05 -1.77 -0.01 0.00 0.00 0.00 0.00 46.02 44.29 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 0.07 -1.84 1.61 3.14 -1.26 -4.75 118.33 115.30 1ujx n VAL 76 Ca 0.00 -0.02 -0.41 0.00 -2.96 0.00 0.00 64.34 60.95 1ujx n VAL 76 Cb 0.00 -1.07 -0.01 0.00 -1.06 0.00 0.00 33.84 31.70 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 -4.65 6.41 -0.05 6.55 -0.87 -1.26 -4.69 114.94 116.38 1ujx s ASN 77 Ca -0.02 2.96 -0.30 0.00 -1.57 0.00 0.00 52.86 53.93 1ujx s ASN 77 Cb 0.01 -2.65 -0.03 0.00 -0.02 0.00 0.00 41.25 38.55 1ujx s ASN 77 CO 0.02 -0.85 1.22 -2.16 -2.57 0.00 0.00 177.10 172.77 1ujx s PRO 78 N -1.40 4.34 0.32 -0.60 0.04 -1.26 -4.88 135.00 131.56 1ujx s PRO 78 Ca 0.56 1.70 0.01 0.00 0.04 0.00 0.00 61.00 63.31 1ujx s PRO 78 Cb -0.46 -3.56 -0.03 0.00 0.04 0.00 0.00 34.50 30.49 1ujx s PRO 78 CO 0.56 -0.46 0.51 -1.12 0.04 0.00 0.00 177.00 176.53 1ujx s SER 79 N 1.52 6.31 -0.14 6.66 0.01 -1.26 -4.56 113.70 122.25 1ujx s SER 79 Ca 0.57 0.42 0.02 0.00 1.31 0.00 0.00 55.95 58.26 1ujx s SER 79 Cb -0.25 -2.02 0.01 0.00 0.21 0.00 0.00 66.02 63.98 1ujx s SER 79 CO 0.22 -0.24 -0.18 -0.89 0.41 0.00 0.00 173.24 172.56 1ujx s THR 80 N -2.23 1.80 -0.88 1.44 2.01 -1.23 0.19 115.64 116.75 1ujx s THR 80 Ca 0.39 -0.81 -0.13 0.00 0.31 0.00 0.00 61.69 61.46 1ujx s THR 80 Cb -0.10 -1.63 0.23 0.00 0.01 0.00 0.00 72.50 71.02 1ujx s THR 80 CO 0.34 0.50 0.83 -0.69 -0.69 0.00 0.00 174.62 174.91 1ujx s VAL 81 N 1.04 5.64 0.00 3.82 1.01 0.91 -1.96 120.40 130.86 1ujx s VAL 81 Ca -0.03 -2.69 0.00 0.00 0.00 0.00 0.00 61.98 59.26 1ujx s VAL 81 Cb -0.15 -4.46 0.00 0.00 0.00 0.00 0.00 36.38 31.77 1ujx s VAL 81 CO -0.05 -1.06 0.00 0.61 0.00 0.00 0.00 175.10 174.61 1ujx n GLY 82 N 3.69 1.65 0.32 4.51 0.00 -0.19 -3.19 105.19 111.99 1ujx n GLY 82 Ca 0.16 -0.29 0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 0.76 -4.62 1.61 3.14 -1.26 -4.84 118.33 113.13 1ujx n VAL 83 Ca 0.00 -0.92 -0.25 0.00 -2.96 0.00 0.00 64.34 60.21 1ujx n VAL 83 Cb 0.00 0.21 -0.14 0.00 -1.06 0.00 0.00 33.84 32.85 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 -1.16 1.35 0.05 1.45 0.74 -1.19 -5.13 119.66 115.77 1ujx s GLN 84 Ca 0.13 -0.93 -0.13 0.00 0.05 0.00 0.00 55.36 54.47 1ujx s GLN 84 Cb 0.11 -1.46 -0.06 0.00 1.10 0.00 0.00 33.01 32.70 1ujx s GLN 84 CO 0.01 0.37 0.44 -2.00 -0.55 0.00 0.00 175.29 173.56 1ujx s GLU 85 N -1.19 3.90 0.14 1.67 2.12 -1.26 -0.06 118.70 124.03 1ujx s GLU 85 Ca 0.07 0.38 0.02 0.00 0.36 0.00 0.00 54.97 55.80 1ujx s GLU 85 Cb -0.09 -3.11 0.02 0.00 0.26 0.00 0.00 34.13 31.22 1ujx s GLU 85 CO 0.02 0.61 0.17 1.28 -0.54 0.00 0.00 175.26 176.80 1ujx n LEU 86 N 1.37 0.00 -4.15 2.70 4.77 0.51 -4.90 117.00 117.30 1ujx n LEU 86 Ca -0.10 -0.67 -0.12 0.00 -0.03 0.00 0.00 56.01 55.08 1ujx n LEU 86 Cb 0.52 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 1ujx n LEU 86 CO 0.40 -0.48 -0.08 -0.54 -1.33 0.00 0.00 177.39 175.36 1ujx s LYS 87 N -2.64 1.43 -0.33 3.23 1.02 -1.26 -4.42 119.74 116.77 1ujx s LYS 87 Ca 0.13 -1.60 -0.29 0.00 0.02 0.00 0.00 55.97 54.23 1ujx s LYS 87 Cb -0.01 0.35 0.00 0.00 -0.52 0.00 0.00 37.83 37.65 1ujx s LYS 87 CO 0.08 -0.53 1.37 -1.25 -0.92 0.00 0.00 175.35 174.10 1ujx s PRO 88 N -3.91 3.78 0.00 -1.68 0.04 -1.26 -2.21 135.00 129.75 1ujx s PRO 88 Ca 0.34 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1ujx s PRO 88 Cb 0.04 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.63 1ujx s PRO 88 CO 0.14 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.29 1ujx n GLY 89 N 4.63 0.60 3.47 0.56 0.00 -0.66 -5.06 105.19 108.73 1ujx n GLY 89 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.63 0.99 7.94 -0.94 -4.88 117.00 116.48 1ujx n LEU 90 Ca 0.00 -1.47 -0.14 0.00 -1.11 0.00 0.00 56.01 53.29 1ujx n LEU 90 Cb 0.00 -0.82 -0.07 0.00 0.53 0.00 0.00 43.42 43.05 1ujx n LEU 90 CO 0.00 -1.24 0.36 -0.44 -1.11 0.00 0.00 177.39 174.96 1ujx s SER 91 N -5.17 -0.67 0.00 1.96 0.01 -1.26 -2.39 113.70 106.18 1ujx s SER 91 Ca 0.65 1.20 0.00 0.00 1.31 0.00 0.00 55.95 59.12 1ujx s SER 91 Cb -0.02 1.20 0.00 0.00 0.21 0.00 0.00 66.02 67.41 1ujx s SER 91 CO 0.45 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.42 1ujx n GLY 92 N 2.40 4.13 3.15 3.44 0.00 0.49 -4.96 105.19 113.84 1ujx n GLY 92 Ca -0.15 -1.56 -0.14 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.55 1.31 -0.09 1.61 1.04 -1.26 -0.09 113.70 115.66 1ujx s SER 93 Ca 0.00 -0.75 0.02 0.00 0.48 0.00 0.00 55.95 55.70 1ujx s SER 93 Cb 0.00 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.15 1ujx s SER 93 CO 0.00 -0.24 -0.14 -0.76 0.98 0.00 0.00 173.24 173.08 1ujx s LEU 94 N -2.21 1.64 0.38 2.42 1.02 0.49 -4.88 118.68 117.54 1ujx s LEU 94 Ca 0.02 -0.37 -0.04 0.00 0.02 0.00 0.00 54.13 53.76 1ujx s LEU 94 Cb -0.05 -0.98 -0.04 0.00 0.02 0.00 0.00 46.19 45.14 1ujx s LEU 94 CO -0.00 0.01 0.64 -0.44 0.02 0.00 0.00 176.35 176.58 1ujx s SER 95 N 0.95 6.34 -0.49 2.29 0.01 -1.26 -1.47 113.70 120.07 1ujx s SER 95 Ca -0.08 0.72 -0.29 0.00 1.31 0.00 0.00 55.95 57.61 1ujx s SER 95 Cb -0.15 -2.15 -0.10 0.00 0.21 0.00 0.00 66.02 63.83 1ujx s SER 95 CO -0.00 -0.37 2.39 0.18 0.41 0.00 0.00 173.24 175.85 1ujx n LEU 96 N -1.67 2.16 0.00 2.44 4.77 -1.26 0.85 117.00 124.29 1ujx n LEU 96 Ca -0.02 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1ujx n LEU 96 Cb 0.55 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 1ujx n LEU 96 CO 0.50 -1.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.02 1ujx n GLY 97 N 6.14 1.51 3.73 -0.72 0.00 0.41 -4.99 105.19 111.27 1ujx n GLY 97 Ca 0.41 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.53 4.40 0.28 1.61 1.11 0.25 -4.46 116.67 118.33 1ujx s ASP 98 Ca 0.00 2.52 0.06 0.00 0.18 0.00 0.00 52.55 55.31 1ujx s ASP 98 Cb 0.00 -2.61 -0.02 0.00 1.07 0.00 0.00 42.92 41.36 1ujx s ASP 98 CO 0.00 -2.13 0.37 -0.69 1.18 0.00 0.00 175.17 173.90 1ujx s VAL 99 N -1.63 4.61 -0.40 -1.27 1.01 -1.26 -1.94 120.40 119.52 1ujx s VAL 99 Ca 0.79 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1ujx s VAL 99 Cb -0.34 -3.59 0.16 0.00 0.00 0.00 0.00 36.38 32.61 1ujx s VAL 99 CO 0.42 -0.26 0.35 -0.22 0.00 0.00 0.00 175.10 175.39 1ujx s LEU 100 N -4.03 0.71 -0.47 3.92 2.96 -0.78 -1.02 118.68 119.96 1ujx s LEU 100 Ca 0.38 -2.39 -0.26 0.00 -0.22 0.00 0.00 54.13 51.64 1ujx s LEU 100 Cb -0.09 0.00 -0.06 0.00 0.50 0.00 0.00 46.19 46.54 1ujx s LEU 100 CO 0.29 -0.22 2.35 -0.31 -1.32 0.00 0.00 176.35 177.14 1ujx s TYR 101 N 0.70 1.13 0.14 5.38 2.02 -0.83 -2.79 117.35 123.09 1ujx s TYR 101 Ca 0.25 1.42 -0.26 0.00 -0.37 0.00 0.00 57.07 58.12 1ujx s TYR 101 Cb -0.08 -3.65 -0.05 0.00 -0.40 0.00 0.00 41.96 37.78 1ujx s TYR 101 CO -0.09 -2.65 1.29 1.28 -1.57 0.00 0.00 175.55 173.81 1ujx n LEU 102 N 15.31 -0.88 -3.71 -1.29 4.77 -0.91 -3.51 117.00 126.78 1ujx n LEU 102 Ca 0.35 1.49 -0.05 0.00 -0.03 0.00 0.00 56.01 57.77 1ujx n LEU 102 Cb 0.54 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.42 1ujx n LEU 102 CO 0.71 -1.22 0.65 0.54 -1.33 0.00 0.00 177.39 176.74 1ujx s VAL 103 N -5.43 0.00 -1.29 4.08 0.11 -1.25 -4.63 120.40 111.99 1ujx s VAL 103 Ca -0.10 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.38 1ujx s VAL 103 Cb 0.09 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 33.18 1ujx s VAL 103 CO 0.52 0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 169.09 1ujx n ASN 104 N -0.43 -4.12 -1.08 3.54 2.85 -1.26 0.14 115.26 114.91 1ujx n ASN 104 Ca -0.07 0.21 -0.12 0.00 -0.11 0.00 0.00 54.58 54.50 1ujx n ASN 104 Cb 0.61 -3.57 -0.05 0.00 1.24 0.00 0.00 39.78 38.01 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 -0.66 1.10 0.35 8.20 0.00 -1.26 -4.90 105.19 108.01 1ujx n GLY 105 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.51 0.00 -3.93 0.99 4.77 0.12 -4.81 117.00 112.63 1ujx n LEU 106 Ca -0.12 -0.27 -0.39 0.00 -0.03 0.00 0.00 56.01 55.20 1ujx n LEU 106 Cb 0.47 0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1ujx n LEU 106 CO 0.18 -0.23 -0.15 -1.22 -1.33 0.00 0.00 177.39 174.64 1ujx n TYR 107 N -0.51 -1.64 -2.46 -1.77 4.01 -1.26 -2.61 117.16 110.92 1ujx n TYR 107 Ca -0.01 0.30 -0.42 0.00 -0.16 0.00 0.00 57.90 57.61 1ujx n TYR 107 Cb 0.06 -2.93 -0.03 0.00 -0.31 0.00 0.00 39.34 36.13 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 -6.61 4.41 -0.36 -0.72 0.04 -1.26 -2.14 135.00 128.36 1ujx s PRO 108 Ca 0.39 1.71 -0.08 0.00 0.04 0.00 0.00 61.00 63.06 1ujx s PRO 108 Cb -0.20 -3.43 0.04 0.00 0.04 0.00 0.00 34.50 30.95 1ujx s PRO 108 CO 0.93 -0.31 0.15 -0.51 0.04 0.00 0.00 177.00 177.31 1ujx s LEU 109 N 1.47 4.56 0.04 -3.56 2.01 -1.12 -4.66 118.68 117.42 1ujx s LEU 109 Ca 0.57 -1.19 -0.27 0.00 0.01 0.00 0.00 54.13 53.25 1ujx s LEU 109 Cb -0.27 -1.92 -0.05 0.00 0.01 0.00 0.00 46.19 43.96 1ujx s LEU 109 CO 0.27 -0.38 0.86 -0.89 1.01 0.00 0.00 176.35 177.22 1ujx s THR 110 N 1.43 4.75 -0.06 5.49 2.01 -1.14 -1.87 115.64 126.25 1ujx s THR 110 Ca 0.00 1.82 -0.24 0.00 0.31 0.00 0.00 61.69 63.58 1ujx s THR 110 Cb -0.20 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 1ujx s THR 110 CO 0.03 0.29 0.72 -0.22 -0.69 0.00 0.00 174.62 174.74 1ujx s LEU 111 N 0.34 4.33 0.09 4.42 2.96 -0.82 0.16 118.68 130.16 1ujx s LEU 111 Ca 0.44 1.22 0.03 0.00 -0.22 0.00 0.00 54.13 55.60 1ujx s LEU 111 Cb -0.21 -3.11 -0.04 0.00 0.50 0.00 0.00 46.19 43.33 1ujx s LEU 111 CO 0.25 -0.11 -0.08 -0.13 -1.32 0.00 0.00 176.35 174.96 1ujx s ARG 112 N 0.76 0.81 -0.04 1.98 1.81 0.86 -0.44 118.95 124.69 1ujx s ARG 112 Ca 0.38 -1.21 0.05 0.00 -1.72 0.00 0.00 55.73 53.23 1ujx s ARG 112 Cb -0.18 -0.34 -0.01 0.00 -0.45 0.00 0.00 34.95 33.97 1ujx s ARG 112 CO 0.19 0.03 -0.21 -0.46 -0.68 0.00 0.00 175.30 174.17 1ujx s TRP 113 N -2.95 2.00 0.05 -0.53 -0.11 -1.26 -0.86 118.94 115.28 1ujx s TRP 113 Ca 0.07 -0.55 -0.24 0.00 1.22 0.00 0.00 56.10 56.60 1ujx s TRP 113 Cb 0.01 -1.32 -0.06 0.00 -1.50 0.00 0.00 33.47 30.60 1ujx s TRP 113 CO -0.02 -0.16 0.75 0.45 -4.62 0.00 0.00 176.95 173.34 1ujx s SER 114 N -0.12 7.20 -0.30 5.86 0.15 -0.69 -4.99 113.70 120.82 1ujx s SER 114 Ca -0.02 1.44 -0.17 0.00 0.70 0.00 0.00 55.95 57.90 1ujx s SER 114 Cb -0.12 -2.46 0.18 0.00 -1.71 0.00 0.00 66.02 61.91 1ujx s SER 114 CO 0.02 0.04 1.21 -0.83 1.20 0.00 0.00 173.24 174.88 1ujx s GLY 115 N -0.18 -0.49 -1.17 9.45 0.00 -1.26 -3.94 107.32 109.73 1ujx s GLY 115 Ca 0.37 2.75 -0.12 0.00 0.00 0.00 0.00 44.72 47.72 1ujx s GLY 115 CO 0.23 4.12 2.30 -1.55 0.00 0.00 0.00 173.10 178.20 1ujx n PRO 116 N 5.23 2.50 -2.68 2.90 -0.04 -1.26 -4.19 135.00 137.47 1ujx n PRO 116 Ca 0.02 -1.96 -0.05 0.00 -0.04 0.00 0.00 63.50 61.46 1ujx n PRO 116 Cb 0.57 -2.82 0.06 0.00 -0.04 0.00 0.00 33.50 31.28 1ujx n PRO 116 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ujx n SER 117 N 5.20 -1.55 -4.59 3.54 3.41 -1.26 -5.13 113.62 113.24 1ujx n SER 117 Ca 0.56 -1.82 -0.41 0.00 -0.26 0.00 0.00 58.87 56.93 1ujx n SER 117 Cb 0.27 0.86 -0.07 0.00 -0.26 0.00 0.00 64.21 65.01 1ujx n SER 117 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ujx s SER 118 N -0.17 6.45 0.00 4.04 0.15 -1.26 -5.25 113.70 117.66 1ujx s SER 118 Ca 0.26 0.33 0.15 0.00 0.70 0.00 0.00 55.95 57.39 1ujx s SER 118 Cb 0.19 -2.31 0.12 0.00 -1.71 0.00 0.00 66.02 62.30 1ujx s SER 118 CO -0.10 -0.48 0.97 0.61 1.20 0.00 0.00 173.24 175.44