#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 -2.93 -0.33 1.61 2.88 -1.26 -4.86 113.62 108.74 1ujx n SER 2 Ca 0.00 -0.48 -0.09 0.00 -1.33 0.00 0.00 58.87 56.97 1ujx n SER 2 Cb 0.00 -1.10 -0.08 0.00 -0.75 0.00 0.00 64.21 62.28 1ujx n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ujx n SER 3 N -4.87 -0.82 0.00 -3.46 3.41 -1.26 -4.81 113.62 101.81 1ujx n SER 3 Ca 0.07 1.60 0.00 0.00 -0.26 0.00 0.00 58.87 60.28 1ujx n SER 3 Cb 0.56 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1ujx n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujx n GLY 4 N -1.19 -0.29 0.41 5.00 0.00 -1.26 -5.13 105.19 102.72 1ujx n GLY 4 Ca 0.02 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1ujx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujx n SER 5 N 0.00 -3.56 -2.90 1.61 2.88 -1.26 -5.04 113.62 105.35 1ujx n SER 5 Ca 0.00 0.30 -0.11 0.00 -1.33 0.00 0.00 58.87 57.73 1ujx n SER 5 Cb 0.00 -0.33 -0.01 0.00 -0.75 0.00 0.00 64.21 63.13 1ujx n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ujx n SER 6 N -0.34 -2.52 0.00 -3.46 3.41 -1.26 -5.13 113.62 104.33 1ujx n SER 6 Ca 0.00 -2.91 0.00 0.00 -0.26 0.00 0.00 58.87 55.70 1ujx n SER 6 Cb 0.00 1.19 0.00 0.00 -0.26 0.00 0.00 64.21 65.14 1ujx n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujx n GLY 7 N 2.46 2.76 3.58 5.00 0.00 -1.26 -5.14 105.19 112.60 1ujx n GLY 7 Ca 0.18 -2.10 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 1ujx n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ujx s MET 8 N -2.28 0.69 0.13 1.61 0.00 -1.26 -5.18 119.30 113.01 1ujx s MET 8 Ca 0.00 0.33 -0.00 0.00 0.00 0.00 0.00 55.69 56.01 1ujx s MET 8 Cb 0.00 0.33 -0.04 0.00 0.00 0.00 0.00 34.83 35.12 1ujx s MET 8 CO 0.00 -0.18 0.03 -1.12 0.00 0.00 0.00 175.02 173.75 1ujx s SER 9 N -0.73 0.56 -0.35 -1.18 0.01 -1.26 -5.09 113.70 105.66 1ujx s SER 9 Ca -0.03 -1.17 0.05 0.00 1.31 0.00 0.00 55.95 56.11 1ujx s SER 9 Cb -0.02 0.24 0.31 0.00 0.21 0.00 0.00 66.02 66.76 1ujx s SER 9 CO 0.02 -0.67 1.33 0.00 0.41 0.00 0.00 173.24 174.32 1ujx n GLN 10 N -0.10 0.35 -0.57 12.44 10.64 -1.26 -5.16 117.38 133.72 1ujx n GLN 10 Ca -0.07 -0.98 -0.27 0.00 -1.83 0.00 0.00 57.00 53.85 1ujx n GLN 10 Cb 0.63 -0.32 0.18 0.00 -0.86 0.00 0.00 30.24 29.88 1ujx n GLN 10 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1ujx n LEU 11 N 0.37 -1.80 0.00 2.61 4.32 -1.26 -4.12 117.00 117.12 1ujx n LEU 11 Ca -0.05 -0.30 0.00 0.00 -0.02 0.00 0.00 56.01 55.64 1ujx n LEU 11 Cb 0.74 -0.91 0.00 0.00 -1.62 0.00 0.00 43.42 41.64 1ujx n LEU 11 CO -0.08 -3.30 0.00 0.61 -1.22 0.00 0.00 177.39 173.40 1ujx n GLY 12 N 2.12 0.28 0.92 -0.72 0.00 -1.26 -4.92 105.19 101.62 1ujx n GLY 12 Ca 0.04 0.66 0.12 0.00 0.00 0.00 0.00 46.02 46.84 1ujx n GLY 12 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujx n SER 13 N 6.02 -5.44 -3.37 1.61 2.88 -1.26 -4.89 113.62 109.18 1ujx n SER 13 Ca 0.00 0.70 -0.19 0.00 -1.33 0.00 0.00 58.87 58.06 1ujx n SER 13 Cb 0.00 -3.00 0.18 0.00 -0.75 0.00 0.00 64.21 60.63 1ujx n SER 13 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ujx n ARG 14 N -3.63 -2.39 -0.92 -1.46 1.74 -1.26 -5.05 116.66 103.68 1ujx n ARG 14 Ca -0.03 -0.89 0.00 0.00 -0.77 0.00 0.00 57.85 56.16 1ujx n ARG 14 Cb 0.43 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 1ujx n ARG 14 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ujx n GLY 15 N -2.57 4.69 3.18 -0.13 0.00 -1.26 -5.01 105.19 104.08 1ujx n GLY 15 Ca 0.08 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.38 0.34 0.56 1.61 1.70 -1.26 -4.97 118.95 116.55 1ujx s ARG 16 Ca 0.00 0.41 -0.10 0.00 -0.47 0.00 0.00 55.73 55.57 1ujx s ARG 16 Cb 0.00 0.16 -0.05 0.00 -0.57 0.00 0.00 34.95 34.49 1ujx s ARG 16 CO 0.00 -0.04 0.95 -0.51 -1.08 0.00 0.00 175.30 174.61 1ujx s LEU 17 N 0.19 3.41 -0.02 -1.89 1.43 -1.26 -0.60 118.68 119.94 1ujx s LEU 17 Ca -0.00 1.30 -0.29 0.00 -1.03 0.00 0.00 54.13 54.11 1ujx s LEU 17 Cb -0.02 -4.30 0.10 0.00 0.03 0.00 0.00 46.19 42.00 1ujx s LEU 17 CO 0.00 -0.73 0.89 -1.66 0.23 0.00 0.00 176.35 175.07 1ujx s TRP 18 N -2.95 -0.36 0.13 0.29 1.48 -0.25 -2.57 118.94 114.70 1ujx s TRP 18 Ca 0.53 0.29 -0.02 0.00 -1.06 0.00 0.00 56.10 55.84 1ujx s TRP 18 Cb -0.11 0.52 -0.05 0.00 -1.16 0.00 0.00 33.47 32.68 1ujx s TRP 18 CO 0.48 -0.53 0.33 -0.51 -4.06 0.00 0.00 176.95 172.65 1ujx s LEU 19 N -2.28 4.29 -0.25 -4.66 2.01 -1.13 0.37 118.68 117.03 1ujx s LEU 19 Ca 0.04 0.45 0.02 0.00 0.01 0.00 0.00 54.13 54.64 1ujx s LEU 19 Cb -0.01 -3.17 0.06 0.00 0.01 0.00 0.00 46.19 43.08 1ujx s LEU 19 CO -0.07 0.07 -0.08 -1.58 1.01 0.00 0.00 176.35 175.70 1ujx s GLN 20 N -2.75 1.93 0.37 1.70 0.74 -0.23 -3.88 119.66 117.54 1ujx s GLN 20 Ca 0.39 -1.19 -0.25 0.00 0.05 0.00 0.00 55.36 54.36 1ujx s GLN 20 Cb -0.12 -2.75 -0.09 0.00 1.10 0.00 0.00 33.01 31.14 1ujx s GLN 20 CO 0.27 -0.59 1.01 -1.54 -0.55 0.00 0.00 175.29 173.89 1ujx s SER 21 N 1.24 6.99 0.93 6.67 1.04 -1.26 -3.66 113.70 125.64 1ujx s SER 21 Ca -0.07 1.97 -0.13 0.00 0.48 0.00 0.00 55.95 58.19 1ujx s SER 21 Cb -0.19 -2.58 0.15 0.00 0.10 0.00 0.00 66.02 63.49 1ujx s SER 21 CO -0.06 -0.33 1.15 -2.16 0.98 0.00 0.00 173.24 172.83 1ujx s PRO 22 N -2.33 0.95 -1.53 4.02 0.04 -1.26 -3.77 135.00 131.11 1ujx s PRO 22 Ca 0.55 0.22 -0.19 0.00 0.04 0.00 0.00 61.00 61.62 1ujx s PRO 22 Cb -0.21 -1.82 0.18 0.00 0.04 0.00 0.00 34.50 32.69 1ujx s PRO 22 CO 0.26 -2.32 0.52 2.41 0.04 0.00 0.00 177.00 177.92 1ujx n THR 23 N -3.83 -0.20 0.00 1.26 -1.04 -1.26 -1.67 114.28 107.54 1ujx n THR 23 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1ujx n THR 23 Cb 0.59 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 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 -1.02 0.71 5.80 3.41 0.00 -1.25 -4.90 105.19 107.94 1ujx n GLY 24 Ca 0.09 -0.00 0.00 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 0.00 0.97 3.78 -0.02 0.00 -0.67 -4.58 105.19 104.67 1ujx n GLY 25 Ca 0.00 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 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 0.43 0.73 1.61 0.04 -1.26 -5.05 135.00 131.50 1ujx s PRO 26 Ca 0.00 0.02 -0.11 0.00 0.04 0.00 0.00 61.00 60.95 1ujx s PRO 26 Cb 0.00 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.79 1ujx s PRO 26 CO 0.00 -2.63 1.07 -1.25 0.04 0.00 0.00 177.00 174.23 1ujx s PRO 27 N -5.47 2.67 0.09 0.56 0.04 -1.26 -4.60 135.00 127.03 1ujx s PRO 27 Ca 0.68 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 1ujx s PRO 27 Cb -0.11 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 1ujx s PRO 27 CO 0.54 -1.27 1.15 -1.25 0.04 0.00 0.00 177.00 176.22 1ujx s PRO 28 N -5.08 4.49 -0.29 0.56 0.04 -1.26 -4.87 135.00 128.59 1ujx s PRO 28 Ca 0.59 1.73 -0.12 0.00 0.04 0.00 0.00 61.00 63.23 1ujx s PRO 28 Cb -0.14 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 1ujx s PRO 28 CO 0.55 -0.15 0.24 0.42 0.04 0.00 0.00 177.00 178.10 1ujx s ILE 29 N 0.68 5.28 -0.41 0.56 1.09 -1.25 -4.91 121.20 122.24 1ujx s ILE 29 Ca 0.55 0.16 -0.25 0.00 -1.10 0.00 0.00 60.65 60.01 1ujx s ILE 29 Cb -0.29 -3.61 0.02 0.00 -1.06 0.00 0.00 42.46 37.52 1ujx s ILE 29 CO 0.31 0.17 0.89 -0.36 -0.10 0.00 0.00 174.94 175.84 1ujx s PHE 30 N 1.82 3.02 0.94 3.97 0.40 -1.26 -2.85 117.98 124.02 1ujx s PHE 30 Ca 0.08 0.54 -0.11 0.00 -0.60 0.00 0.00 56.93 56.84 1ujx s PHE 30 Cb -0.16 -3.72 0.16 0.00 0.51 0.00 0.00 43.02 39.81 1ujx s PHE 30 CO 0.11 -0.92 1.11 -0.51 0.70 0.00 0.00 175.22 175.71 1ujx s LEU 31 N 3.49 2.44 -0.35 -0.37 1.43 -1.06 -4.90 118.68 119.35 1ujx s LEU 31 Ca 0.36 1.95 -0.29 0.00 -1.03 0.00 0.00 54.13 55.11 1ujx s LEU 31 Cb -0.11 -4.29 0.00 0.00 0.03 0.00 0.00 46.19 41.82 1ujx s LEU 31 CO 0.21 -3.12 1.38 -2.16 0.23 0.00 0.00 176.35 172.90 1ujx s PRO 32 N -4.68 3.73 0.44 1.29 0.04 -1.26 -4.72 135.00 129.84 1ujx s PRO 32 Ca 0.66 1.11 0.18 0.00 0.04 0.00 0.00 61.00 62.99 1ujx s PRO 32 Cb -0.22 -3.97 1.01 0.00 0.04 0.00 0.00 34.50 31.37 1ujx s PRO 32 CO 0.59 -1.37 1.94 0.77 0.04 0.00 0.00 177.00 178.97 1ujx h SER 33 N 10.12 0.00 -1.22 6.66 0.02 -1.90 -2.40 113.55 124.83 1ujx h SER 33 Ca -0.27 0.00 0.35 0.00 -0.84 0.00 0.00 61.79 61.03 1ujx h SER 33 Cb 1.10 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.58 1ujx h SER 33 CO 1.06 0.24 0.85 -0.78 -1.14 0.00 0.00 176.83 177.06 1ujx h ASP 34 N 0.00 0.12 0.00 3.07 1.82 -1.89 -3.44 116.42 116.09 1ujx h ASP 34 Ca -0.00 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1ujx h ASP 34 Cb 0.49 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.52 1ujx h ASP 34 CO 0.03 0.01 0.00 0.61 -1.61 0.00 0.00 179.24 178.28 1ujx n GLY 35 N -1.70 1.14 3.12 -0.78 0.00 -0.90 -5.12 105.19 100.96 1ujx n GLY 35 Ca 0.28 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.12 -4.19 1.61 6.02 -1.24 -4.73 117.38 111.73 1ujx n GLN 36 Ca 0.00 -0.92 -0.31 0.00 -0.01 0.00 0.00 57.00 55.76 1ujx n GLN 36 Cb 0.00 -1.67 -0.16 0.00 1.02 0.00 0.00 30.24 29.42 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 -2.11 1.96 -0.13 -1.58 0.00 -1.26 -4.06 121.76 114.58 1ujx s ALA 37 Ca 0.49 -0.95 -0.19 0.00 0.00 0.00 0.00 51.96 51.31 1ujx s ALA 37 Cb -0.10 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 1ujx s ALA 37 CO 0.45 -0.28 0.51 -1.17 0.00 0.00 0.00 175.76 175.26 1ujx s LEU 38 N 1.28 4.26 -0.33 0.00 2.96 0.36 -4.86 118.68 122.35 1ujx s LEU 38 Ca 0.02 0.83 -0.16 0.00 -0.22 0.00 0.00 54.13 54.60 1ujx s LEU 38 Cb -0.14 -2.73 -0.02 0.00 0.50 0.00 0.00 46.19 43.81 1ujx s LEU 38 CO -0.09 -0.04 0.40 -0.69 -1.32 0.00 0.00 176.35 174.61 1ujx s VAL 39 N 0.80 5.14 0.39 1.68 1.01 -1.26 -0.12 120.40 128.03 1ujx s VAL 39 Ca 0.27 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.54 1ujx s VAL 39 Cb -0.15 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1ujx s VAL 39 CO 0.11 -0.07 0.54 -0.76 0.00 0.00 0.00 175.10 174.92 1ujx s LEU 40 N 2.11 3.77 0.00 3.92 2.01 -1.13 -4.91 118.68 124.46 1ujx s LEU 40 Ca 0.14 -0.27 0.00 0.00 0.01 0.00 0.00 54.13 54.00 1ujx s LEU 40 Cb -0.16 -2.73 0.00 0.00 0.01 0.00 0.00 46.19 43.31 1ujx s LEU 40 CO 0.12 -0.64 0.00 0.61 1.01 0.00 0.00 176.35 177.45 1ujx n GLY 41 N -1.79 0.34 3.69 -3.19 0.00 -1.25 -2.32 105.19 100.67 1ujx n GLY 41 Ca 0.04 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.24 1ujx n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujx n ARG 42 N 0.00 1.13 0.00 1.61 1.74 -1.23 -4.17 116.66 115.74 1ujx n ARG 42 Ca 0.00 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1ujx n ARG 42 Cb 0.00 -2.42 0.00 0.00 -1.02 0.00 0.00 32.46 29.02 1ujx n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ujx n GLY 43 N 1.02 0.38 0.00 -0.13 0.00 -0.37 -4.56 105.19 101.53 1ujx n GLY 43 Ca 0.14 -2.24 0.11 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.06 0.75 0.41 1.61 -0.04 -1.26 -1.90 135.00 134.51 1ujx n PRO 44 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 1ujx n PRO 44 Cb 0.00 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 31.91 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 -0.91 -2.93 1.53 -0.00 -1.84 -3.33 115.31 107.83 1ujx h LEU 45 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1ujx h LEU 45 Cb 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 1ujx h LEU 45 CO 0.00 -0.64 -0.03 0.35 -0.00 0.00 0.00 178.44 178.12 1ujx n THR 46 N -4.85 1.73 -1.64 0.22 -2.24 -1.24 -4.94 114.28 101.32 1ujx n THR 46 Ca -0.13 -2.07 -0.18 0.00 -2.27 0.00 0.00 64.05 59.40 1ujx n THR 46 Cb 0.42 -0.16 -0.07 0.00 -2.10 0.00 0.00 70.33 68.41 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 -1.31 -1.46 -2.88 -0.78 3.00 -0.80 -4.91 117.38 108.24 1ujx n GLN 47 Ca 0.14 1.03 -0.41 0.00 -0.01 0.00 0.00 57.00 57.76 1ujx n GLN 47 Cb 0.63 -5.40 -0.04 0.00 0.00 0.00 0.00 30.24 25.43 1ujx n GLN 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1ujx s VAL 48 N -2.57 4.88 -0.08 5.09 1.01 -1.13 -4.92 120.40 122.68 1ujx s VAL 48 Ca 0.00 1.76 0.19 0.00 0.00 0.00 0.00 61.98 63.93 1ujx s VAL 48 Cb 0.00 -4.18 0.40 0.00 0.00 0.00 0.00 36.38 32.60 1ujx s VAL 48 CO 0.00 0.25 1.18 0.35 0.00 0.00 0.00 175.10 176.87 1ujx n THR 49 N 3.55 0.81 -3.12 3.92 -2.24 -1.26 -1.24 114.28 114.70 1ujx n THR 49 Ca 0.01 -1.74 -0.39 0.00 -2.27 0.00 0.00 64.05 59.66 1ujx n THR 49 Cb 0.51 0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 69.20 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 -2.39 7.00 0.24 3.42 2.15 -1.26 -4.96 116.67 120.88 1ujx s ASP 50 Ca 0.33 1.20 -0.06 0.00 0.43 0.00 0.00 52.55 54.45 1ujx s ASP 50 Cb 0.36 -2.40 0.29 0.00 -0.30 0.00 0.00 42.92 40.87 1ujx s ASP 50 CO -0.12 0.00 1.89 0.03 -0.17 0.00 0.00 175.17 176.80 1ujx h ARG 51 N 6.10 1.11 -0.35 4.34 3.08 -2.05 0.63 114.38 127.24 1ujx h ARG 51 Ca -0.43 -0.07 0.10 0.00 0.07 0.00 0.00 59.98 59.65 1ujx h ARG 51 Cb 1.20 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 1ujx h ARG 51 CO 0.72 0.73 0.32 0.87 -1.07 0.00 0.00 179.97 181.55 1ujx h LYS 52 N 1.14 0.00 -7.43 0.04 1.57 -2.04 -3.41 116.57 106.45 1ujx h LYS 52 Ca 0.36 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.65 1ujx h LYS 52 Cb 0.01 0.00 0.09 0.00 0.08 0.00 0.00 32.23 32.41 1ujx h LYS 52 CO -0.12 0.00 0.39 0.00 -0.57 0.00 0.00 179.45 179.15 1ujx s SER 54 N -4.16 -0.17 0.39 0.00 0.15 -1.26 -4.80 113.70 103.85 1ujx s SER 54 Ca 0.58 0.33 0.27 0.00 0.70 0.00 0.00 55.95 57.83 1ujx s SER 54 Cb -0.12 0.32 1.34 0.00 -1.71 0.00 0.00 66.02 65.85 1ujx s SER 54 CO 0.53 -0.06 1.45 0.54 1.20 0.00 0.00 173.24 176.90 1ujx n ARG 55 N 3.10 -0.04 -3.15 5.44 1.74 -1.26 0.01 116.66 122.50 1ujx n ARG 55 Ca -0.14 1.19 -0.26 0.00 -0.77 0.00 0.00 57.85 57.88 1ujx n ARG 55 Cb 0.58 -2.29 -0.06 0.00 -1.02 0.00 0.00 32.46 29.68 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 -4.71 3.53 0.00 0.55 4.13 -1.25 -3.83 115.26 113.68 1ujx n ASN 56 Ca 0.37 -3.46 -0.13 0.00 1.68 0.00 0.00 54.58 53.04 1ujx n ASN 56 Cb 1.38 -0.61 -0.01 0.00 -1.54 0.00 0.00 39.78 39.00 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 3.48 0.62 -3.67 3.52 5.75 0.00 -2.54 115.11 122.28 1ujx h GLN 57 Ca 0.15 -0.47 -0.07 0.00 -0.15 0.00 0.00 58.65 58.11 1ujx h GLN 57 Cb 0.63 0.08 -0.12 0.00 1.07 0.00 0.00 27.48 29.15 1ujx h GLN 57 CO 0.77 1.09 -0.21 0.14 -2.65 0.00 0.00 178.83 177.96 1ujx s VAL 58 N -3.80 0.07 -0.26 2.39 -7.23 -1.25 -2.02 120.40 108.30 1ujx s VAL 58 Ca -0.08 -1.10 0.02 0.00 -1.81 0.00 0.00 61.98 59.01 1ujx s VAL 58 Cb 0.10 -1.61 0.06 0.00 0.56 0.00 0.00 36.38 35.49 1ujx s VAL 58 CO 0.87 -0.32 -0.10 -0.70 -0.31 0.00 0.00 175.10 174.54 1ujx s GLU 59 N -3.91 2.31 0.07 4.82 2.12 0.30 -2.84 118.70 121.58 1ujx s GLU 59 Ca 0.11 -1.31 -0.10 0.00 0.36 0.00 0.00 54.97 54.03 1ujx s GLU 59 Cb 0.02 -2.91 -0.06 0.00 0.26 0.00 0.00 34.13 31.44 1ujx s GLU 59 CO -0.04 -0.55 0.41 -0.51 -0.54 0.00 0.00 175.26 174.02 1ujx s LEU 60 N 1.13 4.36 -0.08 2.70 1.02 0.83 -1.61 118.68 127.02 1ujx s LEU 60 Ca -0.08 0.82 -0.03 0.00 0.02 0.00 0.00 54.13 54.86 1ujx s LEU 60 Cb -0.20 -2.96 0.04 0.00 0.02 0.00 0.00 46.19 43.10 1ujx s LEU 60 CO -0.05 0.18 0.11 -0.63 0.02 0.00 0.00 176.35 175.99 1ujx s ILE 61 N -1.37 -0.18 0.05 -0.59 1.01 -0.91 0.13 121.20 119.35 1ujx s ILE 61 Ca 0.32 0.30 -0.31 0.00 0.00 0.00 0.00 60.65 60.96 1ujx s ILE 61 Cb -0.14 -0.29 -0.05 0.00 0.01 0.00 0.00 42.46 41.98 1ujx s ILE 61 CO 0.18 0.09 1.18 0.00 0.00 0.00 0.00 174.94 176.39 1ujx s ALA 62 N 2.22 3.38 -0.51 9.38 0.00 -1.26 -2.59 121.76 132.38 1ujx s ALA 62 Ca 0.04 0.82 0.03 0.00 0.00 0.00 0.00 51.96 52.85 1ujx s ALA 62 Cb -0.13 -3.44 0.15 0.00 0.00 0.00 0.00 23.12 19.70 1ujx s ALA 62 CO -0.05 -0.43 0.32 -0.51 0.00 0.00 0.00 175.76 175.08 1ujx s ASP 63 N 1.08 3.69 0.00 0.00 1.01 0.19 -4.46 116.67 118.17 1ujx s ASP 63 Ca 0.58 -3.04 0.23 0.00 0.71 0.00 0.00 52.55 51.02 1ujx s ASP 63 Cb -0.29 -1.17 1.35 0.00 1.01 0.00 0.00 42.92 43.83 1ujx s ASP 63 CO 0.29 -0.20 1.74 -0.81 0.21 0.00 0.00 175.17 176.39 1ujx n PRO 64 N 3.00 0.75 -0.05 8.23 -0.04 -1.26 -0.73 135.00 144.90 1ujx n PRO 64 Ca 0.14 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.46 1ujx n PRO 64 Cb 0.36 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.42 0.00 0.54 5.08 -1.92 -3.36 114.58 115.35 1ujx h GLU 65 Ca 0.00 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 57.97 1ujx h GLU 65 Cb 0.00 0.04 -0.25 0.00 0.50 0.00 0.00 28.75 29.04 1ujx h GLU 65 CO 0.00 0.89 -0.84 0.43 -1.00 0.00 0.00 179.01 178.49 1ujx n SER 66 N -4.42 1.23 -3.97 1.42 7.64 -1.19 -5.00 113.62 109.34 1ujx n SER 66 Ca -0.07 -2.65 -0.35 0.00 1.01 0.00 0.00 58.87 56.82 1ujx n SER 66 Cb 0.47 -0.38 -0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.39 -4.40 1.43 5.12 -0.47 -4.96 116.66 111.93 1ujx n ARG 67 Ca 0.10 0.27 -0.22 0.00 -1.93 0.00 0.00 57.85 56.08 1ujx n ARG 67 Cb 0.98 -3.65 -0.09 0.00 -1.16 0.00 0.00 32.46 28.55 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 -3.75 0.37 -0.20 0.55 -4.23 0.09 -3.98 115.64 104.49 1ujx s THR 68 Ca 0.29 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.62 1ujx s THR 68 Cb -0.13 -2.45 0.05 0.00 1.34 0.00 0.00 72.50 71.31 1ujx s THR 68 CO 0.92 0.00 0.53 -0.69 -0.54 0.00 0.00 174.62 174.85 1ujx s VAL 69 N -3.41 -0.00 -0.11 2.29 1.01 -0.82 -0.64 120.40 118.72 1ujx s VAL 69 Ca 0.32 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.25 1ujx s VAL 69 Cb 0.03 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1ujx s VAL 69 CO 0.19 0.00 0.12 0.00 0.00 0.00 0.00 175.10 175.41 1ujx s ALA 70 N 0.43 3.81 -0.19 5.51 0.00 -1.07 0.20 121.76 130.44 1ujx s ALA 70 Ca -0.01 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1ujx s ALA 70 Cb -0.04 -1.90 0.04 0.00 0.00 0.00 0.00 23.12 21.22 1ujx s ALA 70 CO -0.01 0.62 -0.10 0.08 0.00 0.00 0.00 175.76 176.35 1ujx s VAL 71 N -1.03 1.58 -0.20 0.00 1.01 0.35 -2.13 120.40 119.99 1ujx s VAL 71 Ca 0.15 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 1ujx s VAL 71 Cb -0.12 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.60 1ujx s VAL 71 CO 0.04 0.17 -0.11 -0.75 0.00 0.00 0.00 175.10 174.45 1ujx s LYS 72 N 1.42 3.22 -0.11 2.72 2.20 -0.63 0.05 119.74 128.60 1ujx s LYS 72 Ca -0.01 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 54.59 1ujx s LYS 72 Cb -0.16 -2.81 -0.02 0.00 -1.51 0.00 0.00 37.83 33.33 1ujx s LYS 72 CO -0.08 -0.18 1.25 -1.14 -0.36 0.00 0.00 175.35 174.83 1ujx s GLN 73 N 1.35 4.28 0.00 4.03 0.74 -0.99 0.11 119.66 129.18 1ujx s GLN 73 Ca 0.05 1.69 0.01 0.00 0.05 0.00 0.00 55.36 57.15 1ujx s GLN 73 Cb -0.14 -3.68 0.00 0.00 1.10 0.00 0.00 33.01 30.30 1ujx s GLN 73 CO -0.07 -0.60 0.53 1.28 -0.55 0.00 0.00 175.29 175.89 1ujx n LEU 74 N 6.00 1.08 0.00 3.68 4.77 -0.86 -2.10 117.00 129.58 1ujx n LEU 74 Ca 0.13 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 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 0.56 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1ujx n GLY 75 N 0.02 1.56 1.18 -0.72 0.00 -0.95 -4.79 105.19 101.49 1ujx n GLY 75 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 0.24 -1.79 1.61 3.14 -1.26 -4.82 118.33 115.45 1ujx n VAL 76 Ca 0.00 0.08 -0.41 0.00 -2.96 0.00 0.00 64.34 61.05 1ujx n VAL 76 Cb 0.00 -1.35 0.00 0.00 -1.06 0.00 0.00 33.84 31.44 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 -5.19 6.22 -0.12 6.55 0.01 -1.26 -4.66 114.94 116.47 1ujx s ASN 77 Ca 0.00 3.04 -0.29 0.00 -0.71 0.00 0.00 52.86 54.90 1ujx s ASN 77 Cb 0.00 -2.67 -0.02 0.00 0.41 0.00 0.00 41.25 38.97 1ujx s ASN 77 CO 0.00 -0.96 1.25 -2.16 -1.51 0.00 0.00 177.10 173.73 1ujx s PRO 78 N -2.19 4.27 0.39 -0.60 0.04 -1.26 -4.88 135.00 130.77 1ujx s PRO 78 Ca 0.55 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 63.24 1ujx s PRO 78 Cb -0.46 -3.70 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 1ujx s PRO 78 CO 0.62 -0.62 0.65 -1.12 0.04 0.00 0.00 177.00 176.57 1ujx s SER 79 N 1.84 6.31 -0.20 6.66 0.01 -1.26 -4.73 113.70 122.32 1ujx s SER 79 Ca 0.56 0.69 0.02 0.00 1.31 0.00 0.00 55.95 58.52 1ujx s SER 79 Cb -0.23 -2.14 0.03 0.00 0.21 0.00 0.00 66.02 63.89 1ujx s SER 79 CO 0.18 -0.40 -0.17 -0.89 0.41 0.00 0.00 173.24 172.37 1ujx s THR 80 N -2.46 2.05 -1.16 1.44 2.01 -1.24 0.19 115.64 116.47 1ujx s THR 80 Ca 0.44 -1.14 -0.11 0.00 0.31 0.00 0.00 61.69 61.18 1ujx s THR 80 Cb -0.10 -1.96 0.23 0.00 0.01 0.00 0.00 72.50 70.68 1ujx s THR 80 CO 0.39 0.35 1.26 0.52 -0.69 0.00 0.00 174.62 176.44 1ujx n VAL 81 N 4.57 4.44 0.00 3.82 0.31 -0.24 -1.76 118.33 129.47 1ujx n VAL 81 Ca -0.18 -5.11 0.00 0.00 -0.01 0.00 0.00 64.34 59.04 1ujx n VAL 81 Cb 0.47 -2.54 0.00 0.00 -0.91 0.00 0.00 33.84 30.87 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 3.28 0.88 0.23 2.92 0.00 0.12 -3.90 105.19 108.71 1ujx n GLY 82 Ca 0.30 -0.70 0.04 0.00 0.00 0.00 0.00 46.02 45.65 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 0.90 -4.94 1.61 3.14 -1.26 -4.74 118.33 113.03 1ujx n VAL 83 Ca 0.00 -1.06 -0.26 0.00 -2.96 0.00 0.00 64.34 60.06 1ujx n VAL 83 Cb 0.00 0.22 -0.16 0.00 -1.06 0.00 0.00 33.84 32.84 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 -1.32 1.58 0.00 1.45 0.74 -1.25 -5.12 119.66 115.73 1ujx s GLN 84 Ca 0.14 -0.69 -0.22 0.00 0.05 0.00 0.00 55.36 54.64 1ujx s GLN 84 Cb 0.12 -1.52 -0.05 0.00 1.10 0.00 0.00 33.01 32.66 1ujx s GLN 84 CO 0.01 0.41 0.65 -2.00 -0.55 0.00 0.00 175.29 173.81 1ujx s GLU 85 N -0.43 4.38 0.14 1.67 2.12 -1.26 -1.08 118.70 124.24 1ujx s GLU 85 Ca 0.07 0.83 0.01 0.00 0.36 0.00 0.00 54.97 56.24 1ujx s GLU 85 Cb -0.08 -3.36 0.03 0.00 0.26 0.00 0.00 34.13 30.98 1ujx s GLU 85 CO -0.01 0.31 0.20 1.28 -0.54 0.00 0.00 175.26 176.50 1ujx n LEU 86 N 2.86 0.00 -4.16 2.70 4.77 0.50 -4.94 117.00 118.74 1ujx n LEU 86 Ca -0.05 -0.48 -0.13 0.00 -0.03 0.00 0.00 56.01 55.32 1ujx n LEU 86 Cb 0.51 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 1ujx n LEU 86 CO 0.45 -0.58 -0.08 -0.54 -1.33 0.00 0.00 177.39 175.31 1ujx s LYS 87 N -2.81 1.46 -0.31 3.23 1.02 -1.26 -4.40 119.74 116.68 1ujx s LYS 87 Ca 0.14 -1.63 -0.29 0.00 0.02 0.00 0.00 55.97 54.21 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 0.09 -0.54 1.36 -1.25 -0.92 0.00 0.00 175.35 174.08 1ujx s PRO 88 N -3.86 3.85 0.00 -1.68 0.04 -1.26 -2.24 135.00 129.85 1ujx s PRO 88 Ca 0.35 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1ujx s PRO 88 Cb 0.04 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.66 1ujx s PRO 88 CO 0.15 -1.21 0.00 0.41 0.04 0.00 0.00 177.00 176.39 1ujx n GLY 89 N 4.47 0.72 3.74 0.56 0.00 -0.89 -5.06 105.19 108.73 1ujx n GLY 89 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.64 0.99 7.94 -0.95 -4.88 117.00 116.46 1ujx n LEU 90 Ca 0.00 -1.71 -0.09 0.00 -1.11 0.00 0.00 56.01 53.10 1ujx n LEU 90 Cb 0.00 -0.81 -0.07 0.00 0.53 0.00 0.00 43.42 43.06 1ujx n LEU 90 CO 0.00 -1.21 0.36 -0.44 -1.11 0.00 0.00 177.39 174.99 1ujx s SER 91 N -5.34 -0.88 0.00 1.96 0.01 -1.26 -2.35 113.70 105.85 1ujx s SER 91 Ca 0.69 1.47 0.00 0.00 1.31 0.00 0.00 55.95 59.42 1ujx s SER 91 Cb -0.03 1.38 0.00 0.00 0.21 0.00 0.00 66.02 67.59 1ujx s SER 91 CO 0.47 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.49 1ujx n GLY 92 N 3.87 4.38 3.22 3.44 0.00 0.11 -4.94 105.19 115.26 1ujx n GLY 92 Ca -0.18 -1.86 -0.19 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.74 1.95 -0.17 1.61 1.04 -1.26 -0.49 113.70 115.64 1ujx s SER 93 Ca 0.00 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1ujx s SER 93 Cb 0.00 -0.07 0.03 0.00 0.10 0.00 0.00 66.02 66.08 1ujx s SER 93 CO 0.00 -0.08 -0.11 -0.76 0.98 0.00 0.00 173.24 173.27 1ujx s LEU 94 N -2.04 1.94 0.33 2.42 1.02 0.53 -4.89 118.68 117.98 1ujx s LEU 94 Ca 0.04 -0.69 -0.11 0.00 0.02 0.00 0.00 54.13 53.39 1ujx s LEU 94 Cb -0.08 -1.16 -0.07 0.00 0.02 0.00 0.00 46.19 44.90 1ujx s LEU 94 CO 0.03 -0.12 0.69 -0.44 0.02 0.00 0.00 176.35 176.53 1ujx s SER 95 N 1.47 6.61 -0.40 2.29 0.01 -1.26 -1.94 113.70 120.48 1ujx s SER 95 Ca 0.02 1.08 -0.38 0.00 1.31 0.00 0.00 55.95 57.98 1ujx s SER 95 Cb -0.15 -2.29 -0.14 0.00 0.21 0.00 0.00 66.02 63.65 1ujx s SER 95 CO -0.09 -0.25 2.18 0.18 0.41 0.00 0.00 173.24 175.67 1ujx n LEU 96 N -0.73 1.69 0.00 2.44 4.77 -1.26 0.16 117.00 124.08 1ujx n LEU 96 Ca 0.02 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1ujx n LEU 96 Cb 0.53 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 1ujx n LEU 96 CO 0.45 -0.75 0.00 0.61 -1.33 0.00 0.00 177.39 176.37 1ujx n GLY 97 N 6.84 1.40 3.69 -0.72 0.00 -0.84 -5.02 105.19 110.55 1ujx n GLY 97 Ca 0.46 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.11 1ujx n GLY 97 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ujx n ASP 98 N 0.00 1.62 -4.96 1.61 9.92 0.42 -4.55 116.55 120.62 1ujx n ASP 98 Ca 0.00 0.81 -0.20 0.00 -0.53 0.00 0.00 54.79 54.86 1ujx n ASP 98 Cb 0.00 -1.50 -0.02 0.00 -0.64 0.00 0.00 41.12 38.96 1ujx n ASP 98 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ujx s VAL 99 N -1.46 4.69 -0.39 2.53 1.01 -1.26 -2.04 120.40 123.48 1ujx s VAL 99 Ca 0.81 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1ujx s VAL 99 Cb -0.38 -3.63 0.16 0.00 0.00 0.00 0.00 36.38 32.52 1ujx s VAL 99 CO 0.42 -0.26 0.31 -0.22 0.00 0.00 0.00 175.10 175.35 1ujx s LEU 100 N -4.04 1.04 -0.51 3.92 2.96 -1.16 0.11 118.68 121.01 1ujx s LEU 100 Ca 0.38 -2.60 -0.26 0.00 -0.22 0.00 0.00 54.13 51.44 1ujx s LEU 100 Cb -0.09 -0.28 -0.07 0.00 0.50 0.00 0.00 46.19 46.25 1ujx s LEU 100 CO 0.29 -0.22 2.38 -0.31 -1.32 0.00 0.00 176.35 177.17 1ujx s TYR 101 N 0.56 1.11 0.16 5.38 2.02 -0.72 -2.29 117.35 123.57 1ujx s TYR 101 Ca 0.26 1.55 -0.24 0.00 -0.37 0.00 0.00 57.07 58.27 1ujx s TYR 101 Cb -0.08 -3.60 0.03 0.00 -0.40 0.00 0.00 41.96 37.91 1ujx s TYR 101 CO -0.10 -2.48 1.37 -0.11 -1.57 0.00 0.00 175.55 172.66 1ujx n LEU 102 N 15.88 -0.82 -3.82 -1.29 0.00 -0.72 -3.72 117.00 122.51 1ujx n LEU 102 Ca 0.36 1.57 -0.05 0.00 0.00 0.00 0.00 56.01 57.89 1ujx n LEU 102 Cb 0.54 -0.25 -0.00 0.00 0.00 0.00 0.00 43.42 43.71 1ujx n LEU 102 CO 0.70 -1.32 0.63 0.54 0.00 0.00 0.00 177.39 177.95 1ujx s VAL 103 N -5.57 0.00 -1.23 1.96 0.11 -1.23 -4.75 120.40 109.69 1ujx s VAL 103 Ca -0.11 -0.81 -0.14 0.00 -2.93 0.00 0.00 61.98 57.99 1ujx s VAL 103 Cb 0.13 -2.35 0.13 0.00 -1.53 0.00 0.00 36.38 32.75 1ujx s VAL 103 CO 0.58 0.00 0.43 -3.20 -3.33 0.00 0.00 175.10 169.57 1ujx n ASN 104 N -0.81 -2.18 -1.55 3.54 2.85 -1.26 0.18 115.26 116.03 1ujx n ASN 104 Ca -0.05 -0.56 -0.07 0.00 -0.11 0.00 0.00 54.58 53.78 1ujx n ASN 104 Cb 0.60 -1.89 -0.02 0.00 1.24 0.00 0.00 39.78 39.71 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 -0.96 0.38 0.48 8.20 0.00 -1.26 -4.86 105.19 107.17 1ujx n GLY 105 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.81 0.00 -3.96 0.99 4.77 0.49 -4.85 117.00 112.63 1ujx n LEU 106 Ca -0.08 -0.41 -0.41 0.00 -0.03 0.00 0.00 56.01 55.08 1ujx n LEU 106 Cb 0.33 0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.49 1ujx n LEU 106 CO 0.11 -0.08 -0.15 -1.22 -1.33 0.00 0.00 177.39 174.73 1ujx n TYR 107 N -0.20 -1.58 -2.49 -1.77 4.01 -1.26 -2.32 117.16 111.55 1ujx n TYR 107 Ca -0.03 0.22 -0.41 0.00 -0.16 0.00 0.00 57.90 57.53 1ujx n TYR 107 Cb 0.08 -2.94 -0.04 0.00 -0.31 0.00 0.00 39.34 36.14 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 -6.86 4.58 -0.50 -0.72 0.04 -1.26 -1.75 135.00 128.52 1ujx s PRO 108 Ca 0.44 1.74 -0.01 0.00 0.04 0.00 0.00 61.00 63.22 1ujx s PRO 108 Cb -0.22 -3.27 0.13 0.00 0.04 0.00 0.00 34.50 31.17 1ujx s PRO 108 CO 0.94 0.05 0.28 -0.51 0.04 0.00 0.00 177.00 177.80 1ujx s LEU 109 N -0.34 5.02 0.26 -3.56 2.01 -0.97 -4.62 118.68 116.48 1ujx s LEU 109 Ca 0.50 -2.52 -0.30 0.00 0.01 0.00 0.00 54.13 51.82 1ujx s LEU 109 Cb -0.30 -1.78 -0.10 0.00 0.01 0.00 0.00 46.19 44.03 1ujx s LEU 109 CO 0.35 -0.40 1.34 -0.89 1.01 0.00 0.00 176.35 177.76 1ujx s THR 110 N 0.42 2.91 -0.01 5.49 2.01 -1.24 -2.96 115.64 122.25 1ujx s THR 110 Ca 0.13 0.80 -0.25 0.00 0.31 0.00 0.00 61.69 62.68 1ujx s THR 110 Cb -0.22 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1ujx s THR 110 CO -0.04 0.15 0.77 -0.22 -0.69 0.00 0.00 174.62 174.59 1ujx s LEU 111 N -0.75 4.38 0.22 4.42 2.96 -0.87 -1.06 118.68 127.98 1ujx s LEU 111 Ca 0.55 1.37 0.03 0.00 -0.22 0.00 0.00 54.13 55.85 1ujx s LEU 111 Cb -0.39 -3.22 -0.05 0.00 0.50 0.00 0.00 46.19 43.03 1ujx s LEU 111 CO 0.44 -0.09 0.02 -0.13 -1.32 0.00 0.00 176.35 175.27 1ujx s ARG 112 N 0.50 1.28 0.04 1.98 1.81 0.16 -1.98 118.95 122.75 1ujx s ARG 112 Ca 0.40 -1.65 0.07 0.00 -1.72 0.00 0.00 55.73 52.83 1ujx s ARG 112 Cb -0.19 -0.44 -0.02 0.00 -0.45 0.00 0.00 34.95 33.84 1ujx s ARG 112 CO 0.22 -0.15 -0.19 -0.46 -0.68 0.00 0.00 175.30 174.04 1ujx s TRP 113 N -3.56 1.62 -0.03 -0.53 -0.11 -1.26 -1.09 118.94 113.98 1ujx s TRP 113 Ca 0.29 -0.37 -0.19 0.00 1.22 0.00 0.00 56.10 57.05 1ujx s TRP 113 Cb 0.06 -0.96 -0.05 0.00 -1.50 0.00 0.00 33.47 31.02 1ujx s TRP 113 CO 0.08 0.08 0.54 0.45 -4.62 0.00 0.00 176.95 173.48 1ujx s SER 114 N -1.18 6.88 0.00 5.86 0.15 0.23 -4.96 113.70 120.68 1ujx s SER 114 Ca 0.06 1.05 0.00 0.00 0.70 0.00 0.00 55.95 57.76 1ujx s SER 114 Cb -0.08 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 1ujx s SER 114 CO 0.02 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1ujx n GLY 115 N 2.52 -1.35 3.55 9.45 0.00 -1.26 -4.13 105.19 113.97 1ujx n GLY 115 Ca -0.08 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 1ujx n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujx s PRO 116 N -1.15 2.93 -0.04 1.61 0.04 -1.26 -4.88 135.00 132.25 1ujx s PRO 116 Ca 0.00 0.11 -0.31 0.00 0.04 0.00 0.00 61.00 60.84 1ujx s PRO 116 Cb 0.00 -4.35 0.12 0.00 0.04 0.00 0.00 34.50 30.30 1ujx s PRO 116 CO 0.00 -2.46 1.20 0.45 0.04 0.00 0.00 177.00 176.22 1ujx s SER 117 N 5.93 -0.11 0.52 6.66 0.15 -1.26 -5.16 113.70 120.43 1ujx s SER 117 Ca 0.51 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 57.03 1ujx s SER 117 Cb -0.10 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1ujx s SER 117 CO 0.16 -0.39 0.00 -1.20 1.20 0.00 0.00 173.24 173.01 1ujx n SER 118 N -0.37 -6.97 0.00 5.45 7.64 -1.26 -5.19 113.62 112.92 1ujx n SER 118 Ca -0.06 1.44 0.00 0.00 1.01 0.00 0.00 58.87 61.26 1ujx n SER 118 Cb 0.61 -4.22 0.00 0.00 -1.01 0.00 0.00 64.21 59.59 1ujx n SER 118 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64