#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 0.80 -2.69 1.61 2.88 -1.26 -5.10 113.62 109.86 1ujx n SER 2 Ca 0.00 0.17 -0.06 0.00 -1.33 0.00 0.00 58.87 57.65 1ujx n SER 2 Cb 0.00 -0.20 0.01 0.00 -0.75 0.00 0.00 64.21 63.27 1ujx n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ujx n SER 3 N -3.42 -7.16 -3.40 -3.46 7.64 -1.26 -5.04 113.62 97.52 1ujx n SER 3 Ca 0.00 0.41 -0.20 0.00 1.01 0.00 0.00 58.87 60.09 1ujx n SER 3 Cb 0.06 -4.82 -0.10 0.00 -1.01 0.00 0.00 64.21 58.35 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 -2.45 0.09 0.07 0.23 0.00 -1.26 -5.13 107.32 98.87 1ujx s GLY 4 Ca 0.19 -0.85 0.09 0.00 0.00 0.00 0.00 44.72 44.16 1ujx s GLY 4 CO 0.67 2.56 -0.26 -0.56 0.00 0.00 0.00 173.10 175.51 1ujx s SER 5 N 1.81 3.10 0.50 1.64 0.01 -1.26 -5.02 113.70 114.47 1ujx s SER 5 Ca 0.13 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1ujx s SER 5 Cb -0.16 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.82 1ujx s SER 5 CO -0.17 0.22 0.00 -1.20 0.41 0.00 0.00 173.24 172.50 1ujx n SER 6 N 1.53 -8.66 -2.70 2.44 7.64 -1.26 -5.02 113.62 107.59 1ujx n SER 6 Ca -0.17 1.25 -0.06 0.00 1.01 0.00 0.00 58.87 60.89 1ujx n SER 6 Cb 0.52 -4.78 0.10 0.00 -1.01 0.00 0.00 64.21 59.05 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 -0.68 -0.38 3.52 0.23 0.00 -1.26 -5.15 105.19 101.47 1ujx n GLY 7 Ca 0.00 0.41 -0.17 0.00 0.00 0.00 0.00 46.02 46.26 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 0.18 1.02 -0.55 1.61 0.00 -1.26 -5.09 119.30 115.20 1ujx s MET 8 Ca 0.22 0.22 -0.38 0.00 0.00 0.00 0.00 55.69 55.75 1ujx s MET 8 Cb 0.29 0.48 -0.17 0.00 0.00 0.00 0.00 34.83 35.43 1ujx s MET 8 CO -0.12 -0.32 2.27 -1.13 0.00 0.00 0.00 175.02 175.71 1ujx n SER 9 N 0.85 1.12 -2.99 1.11 3.41 -1.26 -4.80 113.62 111.06 1ujx n SER 9 Ca -0.18 0.46 0.03 0.00 -0.26 0.00 0.00 58.87 58.92 1ujx n SER 9 Cb 0.57 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 1ujx n SER 9 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1ujx s GLN 10 N 6.70 0.33 -1.35 4.33 2.00 -1.26 -5.07 119.66 125.34 1ujx s GLN 10 Ca 1.19 0.01 -0.16 0.00 -2.00 0.00 0.00 55.36 54.41 1ujx s GLN 10 Cb -1.22 0.07 0.07 0.00 0.80 0.00 0.00 33.01 32.73 1ujx s GLN 10 CO 0.56 -0.51 1.91 1.28 -0.50 0.00 0.00 175.29 178.03 1ujx n LEU 11 N 4.37 5.79 -1.65 3.68 4.32 -1.26 -4.68 117.00 127.57 1ujx n LEU 11 Ca 0.08 -4.08 0.00 0.00 -0.02 0.00 0.00 56.01 51.98 1ujx n LEU 11 Cb 0.60 -1.69 0.00 0.00 -1.62 0.00 0.00 43.42 40.71 1ujx n LEU 11 CO -0.10 0.63 -0.33 0.61 -1.22 0.00 0.00 177.39 176.98 1ujx n GLY 12 N 4.66 -4.85 3.75 -0.72 0.00 -1.26 -4.89 105.19 101.88 1ujx n GLY 12 Ca 0.49 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1ujx n GLY 12 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujx s SER 13 N -0.37 6.65 1.04 1.61 1.04 -1.26 -4.98 113.70 117.43 1ujx s SER 13 Ca 0.00 2.69 -0.12 0.00 0.48 0.00 0.00 55.95 59.00 1ujx s SER 13 Cb 0.00 -2.63 0.21 0.00 0.10 0.00 0.00 66.02 63.70 1ujx s SER 13 CO 0.00 -0.69 1.07 -0.13 0.98 0.00 0.00 173.24 174.47 1ujx s ARG 14 N -0.63 0.09 0.08 4.02 3.00 -1.26 -4.84 118.95 119.40 1ujx s ARG 14 Ca 0.58 0.98 -0.36 0.00 0.00 0.00 0.00 55.73 56.92 1ujx s ARG 14 Cb -0.42 -1.66 -0.18 0.00 0.00 0.00 0.00 34.95 32.69 1ujx s ARG 14 CO 0.45 -3.08 1.05 0.41 0.00 0.00 0.00 175.30 174.13 1ujx n GLY 15 N 0.10 -0.32 3.25 -3.53 0.00 -1.26 -4.96 105.19 98.47 1ujx n GLY 15 Ca 0.06 0.65 -0.23 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.14 1.07 0.56 1.61 1.70 -1.25 -4.89 118.95 117.61 1ujx s ARG 16 Ca 0.83 -1.08 -0.14 0.00 -0.47 0.00 0.00 55.73 54.86 1ujx s ARG 16 Cb -1.09 -1.27 -0.06 0.00 -0.57 0.00 0.00 34.95 31.96 1ujx s ARG 16 CO 0.54 0.30 0.99 -0.51 -1.08 0.00 0.00 175.30 175.54 1ujx s LEU 17 N -1.78 3.46 -0.04 -1.89 1.43 -1.26 -1.10 118.68 117.50 1ujx s LEU 17 Ca 0.05 1.48 -0.29 0.00 -1.03 0.00 0.00 54.13 54.34 1ujx s LEU 17 Cb -0.10 -4.47 0.11 0.00 0.03 0.00 0.00 46.19 41.76 1ujx s LEU 17 CO 0.03 -0.70 0.89 -1.66 0.23 0.00 0.00 176.35 175.14 1ujx s TRP 18 N -2.86 -0.38 0.01 0.29 1.48 0.26 -2.30 118.94 115.45 1ujx s TRP 18 Ca 0.57 0.37 -0.09 0.00 -1.06 0.00 0.00 56.10 55.89 1ujx s TRP 18 Cb -0.10 0.51 -0.05 0.00 -1.16 0.00 0.00 33.47 32.66 1ujx s TRP 18 CO 0.41 -0.51 0.32 -0.51 -4.06 0.00 0.00 176.95 172.60 1ujx s LEU 19 N -2.08 4.39 -0.46 -4.66 2.01 -0.96 0.02 118.68 116.93 1ujx s LEU 19 Ca 0.02 0.69 -0.09 0.00 0.01 0.00 0.00 54.13 54.77 1ujx s LEU 19 Cb -0.01 -2.67 0.11 0.00 0.01 0.00 0.00 46.19 43.63 1ujx s LEU 19 CO -0.05 0.26 0.32 -1.58 1.01 0.00 0.00 176.35 176.31 1ujx s GLN 20 N -1.59 2.48 0.30 1.70 0.74 0.25 -3.77 119.66 119.77 1ujx s GLN 20 Ca 0.27 -1.70 -0.17 0.00 0.05 0.00 0.00 55.36 53.81 1ujx s GLN 20 Cb -0.14 -3.88 -0.09 0.00 1.10 0.00 0.00 33.01 30.00 1ujx s GLN 20 CO 0.15 -1.14 0.75 -1.54 -0.55 0.00 0.00 175.29 172.96 1ujx s SER 21 N 2.51 6.88 0.55 6.67 1.04 -1.26 -4.08 113.70 126.02 1ujx s SER 21 Ca 0.05 1.35 -0.17 0.00 0.48 0.00 0.00 55.95 57.66 1ujx s SER 21 Cb -0.25 -2.40 -0.06 0.00 0.10 0.00 0.00 66.02 63.41 1ujx s SER 21 CO -0.00 -0.14 1.04 -2.16 0.98 0.00 0.00 173.24 172.96 1ujx s PRO 22 N -2.66 3.54 0.51 4.02 0.04 -1.26 -4.90 135.00 134.28 1ujx s PRO 22 Ca 0.51 1.24 -0.18 0.00 0.04 0.00 0.00 61.00 62.61 1ujx s PRO 22 Cb -0.12 -2.06 -0.15 0.00 0.04 0.00 0.00 34.50 32.20 1ujx s PRO 22 CO 0.18 -0.63 -0.13 -2.37 0.04 0.00 0.00 177.00 174.09 1ujx n THR 23 N -1.61 0.00 0.00 1.26 5.66 -1.26 -1.28 114.28 117.05 1ujx n THR 23 Ca 0.09 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 1ujx n THR 23 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 1ujx n THR 23 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ujx n GLY 24 N 2.51 2.02 0.00 1.09 0.00 -1.26 -4.98 105.19 104.58 1ujx n GLY 24 Ca 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.89 3.78 -0.02 0.00 -0.40 -5.05 105.19 101.61 1ujx n GLY 25 Ca 0.00 -1.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.85 0.65 0.98 1.61 0.04 -1.26 -4.98 135.00 129.20 1ujx s PRO 26 Ca 0.00 0.10 -0.15 0.00 0.04 0.00 0.00 61.00 61.00 1ujx s PRO 26 Cb 0.00 -1.80 0.18 0.00 0.04 0.00 0.00 34.50 32.92 1ujx s PRO 26 CO 0.00 -2.49 1.17 -1.25 0.04 0.00 0.00 177.00 174.47 1ujx s PRO 27 N -5.41 0.53 -0.54 0.56 0.04 -1.26 -4.56 135.00 124.36 1ujx s PRO 27 Ca 0.67 0.05 -0.28 0.00 0.04 0.00 0.00 61.00 61.48 1ujx s PRO 27 Cb -0.12 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.64 1ujx s PRO 27 CO 0.54 -2.56 1.49 -1.25 0.04 0.00 0.00 177.00 175.25 1ujx s PRO 28 N -5.45 3.26 0.27 0.56 0.04 -1.26 -4.75 135.00 127.68 1ujx s PRO 28 Ca 0.68 0.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.01 1ujx s PRO 28 Cb -0.11 -4.15 -0.09 0.00 0.04 0.00 0.00 34.50 30.19 1ujx s PRO 28 CO 0.54 -1.98 0.98 0.42 0.04 0.00 0.00 177.00 177.00 1ujx s ILE 29 N 6.36 3.97 -0.33 0.56 1.09 -1.25 -4.85 121.20 126.75 1ujx s ILE 29 Ca 0.57 1.87 -0.10 0.00 -1.10 0.00 0.00 60.65 61.89 1ujx s ILE 29 Cb -0.12 -4.15 0.00 0.00 -1.06 0.00 0.00 42.46 37.13 1ujx s ILE 29 CO 0.26 0.37 0.17 -0.36 -0.10 0.00 0.00 174.94 175.27 1ujx s PHE 30 N -1.30 3.20 0.86 3.97 0.40 -1.26 -2.27 117.98 121.58 1ujx s PHE 30 Ca 0.45 -0.67 -0.10 0.00 -0.60 0.00 0.00 56.93 56.01 1ujx s PHE 30 Cb -0.25 -2.38 0.11 0.00 0.51 0.00 0.00 43.02 41.01 1ujx s PHE 30 CO 0.32 -0.50 1.12 -0.51 0.70 0.00 0.00 175.22 176.34 1ujx s LEU 31 N 1.60 2.84 -0.07 -0.37 1.43 -0.97 -4.94 118.68 118.21 1ujx s LEU 31 Ca 0.04 2.00 -0.30 0.00 -1.03 0.00 0.00 54.13 54.84 1ujx s LEU 31 Cb -0.18 -4.49 -0.03 0.00 0.03 0.00 0.00 46.19 41.52 1ujx s LEU 31 CO 0.06 -2.69 1.23 -2.16 0.23 0.00 0.00 176.35 173.01 1ujx s PRO 32 N -4.76 4.33 0.37 1.29 0.04 -1.26 -4.69 135.00 130.32 1ujx s PRO 32 Ca 0.64 1.70 0.20 0.00 0.04 0.00 0.00 61.00 63.58 1ujx s PRO 32 Cb -0.20 -3.59 0.33 0.00 0.04 0.00 0.00 34.50 31.08 1ujx s PRO 32 CO 0.57 -0.49 1.58 0.77 0.04 0.00 0.00 177.00 179.46 1ujx h SER 33 N 7.60 0.00 -0.76 6.66 0.02 -1.92 -3.16 113.55 121.99 1ujx h SER 33 Ca -0.33 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 60.77 1ujx h SER 33 Cb 1.15 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.64 1ujx h SER 33 CO 0.89 0.27 0.51 -0.78 -1.14 0.00 0.00 176.83 176.59 1ujx h ASP 34 N 0.00 0.37 0.00 3.07 3.58 -1.90 -3.45 116.42 118.08 1ujx h ASP 34 Ca -0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1ujx h ASP 34 Cb 1.13 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1ujx h ASP 34 CO 0.04 0.18 0.00 0.61 -2.88 0.00 0.00 179.24 177.19 1ujx n GLY 35 N -1.53 1.11 3.20 -0.78 0.00 -1.19 -5.13 105.19 100.88 1ujx n GLY 35 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.06 -4.27 1.61 3.00 -1.26 -4.70 117.38 110.70 1ujx n GLN 36 Ca 0.00 -0.30 -0.33 0.00 -0.01 0.00 0.00 57.00 56.36 1ujx n GLN 36 Cb 0.00 -1.50 -0.15 0.00 0.00 0.00 0.00 30.24 28.58 1ujx n GLN 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ujx s ALA 37 N -2.18 2.48 -0.63 -1.58 0.00 -1.26 -4.06 121.76 114.54 1ujx s ALA 37 Ca 0.50 -1.14 -0.20 0.00 0.00 0.00 0.00 51.96 51.12 1ujx s ALA 37 Cb -0.07 -1.28 0.09 0.00 0.00 0.00 0.00 23.12 21.86 1ujx s ALA 37 CO 0.67 -0.23 0.81 -1.17 0.00 0.00 0.00 175.76 175.84 1ujx s LEU 38 N 1.12 5.04 -0.18 0.00 2.96 0.43 -4.85 118.68 123.20 1ujx s LEU 38 Ca 0.00 -1.31 -0.29 0.00 -0.22 0.00 0.00 54.13 52.32 1ujx s LEU 38 Cb -0.14 -2.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 1ujx s LEU 38 CO -0.06 -1.23 1.53 -0.69 -1.32 0.00 0.00 176.35 174.59 1ujx s VAL 39 N 3.15 3.81 0.61 1.68 1.01 -1.26 -2.02 120.40 127.39 1ujx s VAL 39 Ca 0.16 0.95 0.01 0.00 0.00 0.00 0.00 61.98 63.10 1ujx s VAL 39 Cb -0.21 -3.74 0.07 0.00 0.00 0.00 0.00 36.38 32.50 1ujx s VAL 39 CO 0.07 -0.23 0.85 -0.22 0.00 0.00 0.00 175.10 175.57 1ujx s LEU 40 N 4.56 3.16 0.00 3.92 2.96 -0.76 -4.92 118.68 127.61 1ujx s LEU 40 Ca 0.67 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.38 1ujx s LEU 40 Cb -0.25 -2.46 0.00 0.00 0.50 0.00 0.00 46.19 43.98 1ujx s LEU 40 CO 0.26 -1.40 0.00 0.61 -1.32 0.00 0.00 176.35 174.50 1ujx n GLY 41 N -2.50 0.97 3.64 7.98 0.00 -1.26 -2.51 105.19 111.52 1ujx n GLY 41 Ca 0.11 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 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 1.53 0.00 1.61 1.74 -1.25 -4.48 116.66 115.81 1ujx n ARG 42 Ca 0.00 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 1ujx n ARG 42 Cb 0.00 -2.14 0.00 0.00 -1.02 0.00 0.00 32.46 29.30 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 1.07 0.99 0.00 -0.13 0.00 -0.73 -4.70 105.19 101.69 1ujx n GLY 43 Ca 0.09 -2.01 0.12 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.66 0.74 0.52 1.61 -0.04 -1.26 -1.77 135.00 133.13 1ujx n PRO 44 Ca 0.00 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.26 1ujx n PRO 44 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 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 -1.12 -2.65 1.53 4.07 -1.88 -3.31 115.31 111.96 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 0.29 0.00 0.00 1.08 0.00 0.00 40.66 42.04 1ujx h LEU 45 CO 0.00 -0.80 0.00 0.35 -1.08 0.00 0.00 178.44 176.91 1ujx n THR 46 N -5.55 0.83 -1.24 0.22 -2.24 -1.24 -4.84 114.28 100.23 1ujx n THR 46 Ca -0.16 -0.92 -0.08 0.00 -2.27 0.00 0.00 64.05 60.62 1ujx n THR 46 Cb 0.52 0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 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 0.13 -1.09 -2.43 -0.78 6.02 -0.73 -4.64 117.38 113.86 1ujx n GLN 47 Ca 0.06 0.72 -0.42 0.00 -0.01 0.00 0.00 57.00 57.35 1ujx n GLN 47 Cb 0.32 -4.75 -0.03 0.00 1.02 0.00 0.00 30.24 26.80 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 -2.04 4.15 -0.18 5.09 1.01 -1.10 -4.91 120.40 122.42 1ujx s VAL 48 Ca 0.00 1.50 0.15 0.00 0.00 0.00 0.00 61.98 63.64 1ujx s VAL 48 Cb 0.00 -3.97 0.44 0.00 0.00 0.00 0.00 36.38 32.86 1ujx s VAL 48 CO 0.00 0.03 1.19 0.35 0.00 0.00 0.00 175.10 176.67 1ujx n THR 49 N 4.45 1.60 -3.62 3.92 -2.24 -1.26 -1.78 114.28 115.34 1ujx n THR 49 Ca 0.11 -2.83 -0.36 0.00 -2.27 0.00 0.00 64.05 58.69 1ujx n THR 49 Cb 0.46 0.08 -0.07 0.00 -2.10 0.00 0.00 70.33 68.70 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 -3.07 6.41 0.43 3.42 2.15 -1.26 -4.97 116.67 119.79 1ujx s ASP 50 Ca 0.38 0.48 0.12 0.00 0.43 0.00 0.00 52.55 53.96 1ujx s ASP 50 Cb 0.38 -2.15 0.94 0.00 -0.30 0.00 0.00 42.92 41.79 1ujx s ASP 50 CO -0.07 0.17 1.99 0.03 -0.17 0.00 0.00 175.17 177.13 1ujx h ARG 51 N 6.30 0.14 0.00 4.34 3.08 -2.05 0.19 114.38 126.39 1ujx h ARG 51 Ca -0.44 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1ujx h ARG 51 Cb 1.17 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1ujx h ARG 51 CO 0.72 0.25 0.00 0.87 -1.07 0.00 0.00 179.97 180.74 1ujx h LYS 52 N 0.14 0.00 -6.03 0.04 1.57 -2.03 -3.40 116.57 106.85 1ujx h LYS 52 Ca 0.03 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.23 1ujx h LYS 52 Cb 0.26 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.51 1ujx h LYS 52 CO 0.01 0.00 -0.10 0.00 -0.57 0.00 0.00 179.45 178.80 1ujx s SER 54 N -0.52 4.94 0.49 0.00 0.15 -1.26 -4.54 113.70 112.96 1ujx s SER 54 Ca 0.27 -0.02 0.43 0.00 0.70 0.00 0.00 55.95 57.33 1ujx s SER 54 Cb -0.17 -1.60 1.56 0.00 -1.71 0.00 0.00 66.02 64.10 1ujx s SER 54 CO 0.15 0.26 1.46 -1.14 1.20 0.00 0.00 173.24 175.17 1ujx n ARG 55 N 2.91 -0.01 -2.85 5.44 0.63 -1.26 0.12 116.66 121.64 1ujx n ARG 55 Ca -0.18 1.06 -0.23 0.00 -0.92 0.00 0.00 57.85 57.58 1ujx n ARG 55 Cb 0.53 -2.33 -0.02 0.00 0.45 0.00 0.00 32.46 31.08 1ujx n ARG 55 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1ujx n ASN 56 N -4.01 3.48 -0.11 6.15 0.23 -1.25 -4.11 115.26 115.65 1ujx n ASN 56 Ca 0.41 -3.45 -0.09 0.00 -0.53 0.00 0.00 54.58 50.91 1ujx n ASN 56 Cb 1.78 -0.54 -0.01 0.00 -2.08 0.00 0.00 39.78 38.92 1ujx n ASN 56 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 1ujx h GLN 57 N 2.89 0.49 -3.78 -3.83 5.75 0.12 -2.73 115.11 114.03 1ujx h GLN 57 Ca 0.14 -0.06 -0.10 0.00 -0.15 0.00 0.00 58.65 58.48 1ujx h GLN 57 Cb 0.77 -0.09 -0.16 0.00 1.07 0.00 0.00 27.48 29.07 1ujx h GLN 57 CO 0.73 0.42 -0.44 0.14 -2.65 0.00 0.00 178.83 177.03 1ujx s VAL 58 N -5.82 0.14 -0.41 2.39 -7.23 -1.25 -1.17 120.40 107.04 1ujx s VAL 58 Ca -0.13 -1.14 -0.02 0.00 -1.81 0.00 0.00 61.98 58.87 1ujx s VAL 58 Cb 0.10 -1.15 0.11 0.00 0.56 0.00 0.00 36.38 36.00 1ujx s VAL 58 CO 0.73 -0.63 0.20 -0.70 -0.31 0.00 0.00 175.10 174.39 1ujx s GLU 59 N -3.26 1.99 0.26 4.82 2.12 0.65 -1.82 118.70 123.46 1ujx s GLU 59 Ca 0.00 -1.85 -0.28 0.00 0.36 0.00 0.00 54.97 53.20 1ujx s GLU 59 Cb 0.02 -3.57 -0.09 0.00 0.26 0.00 0.00 34.13 30.76 1ujx s GLU 59 CO -0.08 -1.07 0.91 -0.51 -0.54 0.00 0.00 175.26 173.98 1ujx s LEU 60 N 1.08 4.53 -0.09 2.70 1.02 -0.86 -2.66 118.68 124.40 1ujx s LEU 60 Ca 0.09 1.86 -0.03 0.00 0.02 0.00 0.00 54.13 56.06 1ujx s LEU 60 Cb -0.22 -3.70 0.04 0.00 0.02 0.00 0.00 46.19 42.32 1ujx s LEU 60 CO -0.04 0.09 0.07 -0.63 0.02 0.00 0.00 176.35 175.85 1ujx s ILE 61 N -1.33 -0.09 -0.14 -0.59 1.01 -0.66 0.16 121.20 119.56 1ujx s ILE 61 Ca 0.43 0.20 -0.29 0.00 0.00 0.00 0.00 60.65 60.99 1ujx s ILE 61 Cb -0.23 -0.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.91 1ujx s ILE 61 CO 0.28 0.01 1.29 0.00 0.00 0.00 0.00 174.94 176.51 1ujx s ALA 62 N 2.16 3.63 -0.60 9.38 0.00 -1.26 -1.87 121.76 133.20 1ujx s ALA 62 Ca 0.04 0.53 0.04 0.00 0.00 0.00 0.00 51.96 52.57 1ujx s ALA 62 Cb -0.14 -3.61 0.15 0.00 0.00 0.00 0.00 23.12 19.52 1ujx s ALA 62 CO -0.05 -1.12 0.38 -0.51 0.00 0.00 0.00 175.76 174.46 1ujx s ASP 63 N 2.00 4.36 0.00 0.00 1.01 0.04 -4.45 116.67 119.63 1ujx s ASP 63 Ca 0.56 -3.42 0.23 0.00 0.71 0.00 0.00 52.55 50.63 1ujx s ASP 63 Cb -0.23 -1.52 1.35 0.00 1.01 0.00 0.00 42.92 43.53 1ujx s ASP 63 CO 0.17 -0.15 1.74 -0.81 0.21 0.00 0.00 175.17 176.32 1ujx n PRO 64 N 2.54 0.75 -0.18 8.23 -0.04 -1.26 -0.58 135.00 144.46 1ujx n PRO 64 Ca 0.14 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.51 1ujx n PRO 64 Cb 0.35 -1.47 0.01 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.82 0.00 0.54 5.08 -1.92 -3.31 114.58 115.79 1ujx h GLU 65 Ca 0.00 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1ujx h GLU 65 Cb 0.00 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1ujx h GLU 65 CO 0.00 0.80 -0.22 0.43 -1.00 0.00 0.00 179.01 179.02 1ujx n SER 66 N -4.43 0.75 -3.06 1.42 7.64 -1.20 -5.03 113.62 109.72 1ujx n SER 66 Ca 0.01 -2.02 -0.01 0.00 1.01 0.00 0.00 58.87 57.86 1ujx n SER 66 Cb 0.24 -0.18 0.01 0.00 -1.01 0.00 0.00 64.21 63.26 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 -0.38 -1.38 -4.06 1.43 5.12 -0.64 -5.04 116.66 111.71 1ujx n ARG 67 Ca 0.04 1.44 -0.12 0.00 -1.93 0.00 0.00 57.85 57.27 1ujx n ARG 67 Cb 0.59 -5.73 -0.05 0.00 -1.16 0.00 0.00 32.46 26.11 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 -3.03 0.00 -0.12 0.55 -4.23 0.25 -4.43 115.64 104.63 1ujx s THR 68 Ca 0.04 -1.55 -0.05 0.00 -1.18 0.00 0.00 61.69 58.94 1ujx s THR 68 Cb -0.00 -2.49 0.05 0.00 1.34 0.00 0.00 72.50 71.40 1ujx s THR 68 CO 0.74 0.00 0.26 -0.69 -0.54 0.00 0.00 174.62 174.39 1ujx s VAL 69 N -3.45 -0.20 0.21 2.29 1.01 -0.20 -0.78 120.40 119.28 1ujx s VAL 69 Ca 0.28 0.20 -0.16 0.00 0.00 0.00 0.00 61.98 62.30 1ujx s VAL 69 Cb 0.00 -0.42 -0.08 0.00 0.00 0.00 0.00 36.38 35.88 1ujx s VAL 69 CO 0.15 0.08 0.64 0.00 0.00 0.00 0.00 175.10 175.98 1ujx s ALA 70 N 1.75 3.48 -0.16 5.51 0.00 -0.78 0.13 121.76 131.69 1ujx s ALA 70 Ca -0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.86 1ujx s ALA 70 Cb -0.11 -2.66 0.05 0.00 0.00 0.00 0.00 23.12 20.41 1ujx s ALA 70 CO -0.09 0.40 0.06 0.08 0.00 0.00 0.00 175.76 176.20 1ujx s VAL 71 N -1.60 0.20 -0.21 0.00 1.01 -1.04 -1.66 120.40 117.10 1ujx s VAL 71 Ca 0.43 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 1ujx s VAL 71 Cb -0.14 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1ujx s VAL 71 CO 0.20 -0.16 -0.06 -0.75 0.00 0.00 0.00 175.10 174.33 1ujx s LYS 72 N 2.01 3.35 -0.20 2.72 2.20 -1.09 -0.95 119.74 127.79 1ujx s LYS 72 Ca 0.01 -0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 54.69 1ujx s LYS 72 Cb -0.16 -2.95 -0.02 0.00 -1.51 0.00 0.00 37.83 33.19 1ujx s LYS 72 CO -0.08 -0.17 1.44 -1.14 -0.36 0.00 0.00 175.35 175.04 1ujx s GLN 73 N 1.38 4.01 0.00 4.03 0.74 -0.62 -0.25 119.66 128.95 1ujx s GLN 73 Ca 0.05 1.63 0.01 0.00 0.05 0.00 0.00 55.36 57.09 1ujx s GLN 73 Cb -0.14 -3.91 0.01 0.00 1.10 0.00 0.00 33.01 30.07 1ujx s GLN 73 CO -0.03 -1.01 0.92 1.28 -0.55 0.00 0.00 175.29 175.89 1ujx n LEU 74 N 7.51 1.86 0.00 3.68 4.77 -0.32 -2.10 117.00 132.39 1ujx n LEU 74 Ca 0.16 -1.81 0.00 0.00 -0.03 0.00 0.00 56.01 54.33 1ujx n LEU 74 Cb 0.45 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1ujx n LEU 74 CO 0.61 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.75 1ujx n GLY 75 N -0.35 2.07 1.02 -0.72 0.00 -0.93 -4.72 105.19 101.56 1ujx n GLY 75 Ca 0.01 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 0.16 -1.95 1.61 3.14 -1.26 -4.81 118.33 115.23 1ujx n VAL 76 Ca 0.00 0.05 -0.40 0.00 -2.96 0.00 0.00 64.34 61.03 1ujx n VAL 76 Cb 0.00 -1.50 -0.00 0.00 -1.06 0.00 0.00 33.84 31.28 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 -5.13 6.33 -0.02 6.55 0.01 -1.26 -4.67 114.94 116.75 1ujx s ASN 77 Ca 0.00 2.82 -0.30 0.00 -0.71 0.00 0.00 52.86 54.67 1ujx s ASN 77 Cb 0.00 -2.65 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 1ujx s ASN 77 CO 0.00 -0.85 1.20 -2.16 -1.51 0.00 0.00 177.10 173.78 1ujx s PRO 78 N -2.15 4.38 0.27 -0.60 0.04 -1.26 -4.89 135.00 130.79 1ujx s PRO 78 Ca 0.55 1.71 0.03 0.00 0.04 0.00 0.00 61.00 63.32 1ujx s PRO 78 Cb -0.42 -3.49 -0.03 0.00 0.04 0.00 0.00 34.50 30.60 1ujx s PRO 78 CO 0.55 -0.38 0.43 -1.12 0.04 0.00 0.00 177.00 176.52 1ujx s SER 79 N 1.36 6.32 -0.28 6.66 0.01 -1.26 -4.63 113.70 121.88 1ujx s SER 79 Ca 0.57 0.25 0.02 0.00 1.31 0.00 0.00 55.95 58.10 1ujx s SER 79 Cb -0.26 -1.94 0.07 0.00 0.21 0.00 0.00 66.02 64.09 1ujx s SER 79 CO 0.25 -0.15 -0.06 -0.89 0.41 0.00 0.00 173.24 172.80 1ujx s THR 80 N -2.08 2.34 -1.29 1.44 2.01 -1.23 0.20 115.64 117.03 1ujx s THR 80 Ca 0.37 -1.72 -0.12 0.00 0.31 0.00 0.00 61.69 60.53 1ujx s THR 80 Cb -0.09 -2.43 0.14 0.00 0.01 0.00 0.00 72.50 70.13 1ujx s THR 80 CO 0.32 -0.14 1.81 0.52 -0.69 0.00 0.00 174.62 176.43 1ujx n VAL 81 N 4.44 4.16 0.00 3.82 0.31 -0.66 -1.63 118.33 128.78 1ujx n VAL 81 Ca -0.11 -4.26 0.00 0.00 -0.01 0.00 0.00 64.34 59.96 1ujx n VAL 81 Cb 0.42 -2.42 0.00 0.00 -0.91 0.00 0.00 33.84 30.93 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 3.52 0.98 0.22 2.92 0.00 0.19 -4.14 105.19 108.88 1ujx n GLY 82 Ca 0.42 -0.76 0.03 0.00 0.00 0.00 0.00 46.02 45.71 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 0.60 -4.78 1.61 3.14 -1.26 -4.74 118.33 112.90 1ujx n VAL 83 Ca 0.00 -0.70 -0.28 0.00 -2.96 0.00 0.00 64.34 60.41 1ujx n VAL 83 Cb 0.00 0.42 -0.17 0.00 -1.06 0.00 0.00 33.84 33.03 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 -0.85 2.25 0.28 1.45 0.74 -1.26 -5.12 119.66 117.15 1ujx s GLN 84 Ca 0.08 -0.60 -0.29 0.00 0.05 0.00 0.00 55.36 54.60 1ujx s GLN 84 Cb 0.07 -1.79 -0.09 0.00 1.10 0.00 0.00 33.01 32.29 1ujx s GLN 84 CO 0.01 0.06 1.06 -2.00 -0.55 0.00 0.00 175.29 173.87 1ujx s GLU 85 N 0.61 4.66 0.22 1.67 2.12 -1.26 -1.65 118.70 125.07 1ujx s GLU 85 Ca -0.15 1.71 0.03 0.00 0.36 0.00 0.00 54.97 56.93 1ujx s GLU 85 Cb -0.16 -3.16 0.03 0.00 0.26 0.00 0.00 34.13 31.10 1ujx s GLU 85 CO 0.05 0.26 0.28 1.28 -0.54 0.00 0.00 175.26 176.58 1ujx n LEU 86 N 1.17 0.00 -4.17 2.70 4.77 0.54 -4.92 117.00 117.08 1ujx n LEU 86 Ca -0.01 -0.97 -0.14 0.00 -0.03 0.00 0.00 56.01 54.86 1ujx n LEU 86 Cb 0.46 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.33 1ujx n LEU 86 CO 0.52 -0.55 -0.06 -0.54 -1.33 0.00 0.00 177.39 175.43 1ujx s LYS 87 N -2.97 1.56 -0.45 3.23 1.02 -1.26 -4.36 119.74 116.49 1ujx s LYS 87 Ca 0.21 -1.71 -0.28 0.00 0.02 0.00 0.00 55.97 54.21 1ujx s LYS 87 Cb -0.02 0.35 0.01 0.00 -0.52 0.00 0.00 37.83 37.65 1ujx s LYS 87 CO 0.13 -0.58 1.44 -1.25 -0.92 0.00 0.00 175.35 174.17 1ujx s PRO 88 N -3.71 3.47 0.00 -1.68 0.04 -1.26 -2.14 135.00 129.72 1ujx s PRO 88 Ca 0.35 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1ujx s PRO 88 Cb 0.03 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.50 1ujx s PRO 88 CO 0.18 -1.71 0.00 0.41 0.04 0.00 0.00 177.00 175.92 1ujx n GLY 89 N 5.16 0.57 2.73 0.56 0.00 -0.89 -5.07 105.19 108.24 1ujx n GLY 89 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.92 0.99 7.94 -0.91 -4.85 117.00 116.25 1ujx n LEU 90 Ca 0.00 -1.35 -0.08 0.00 -1.11 0.00 0.00 56.01 53.47 1ujx n LEU 90 Cb 0.00 -0.53 -0.03 0.00 0.53 0.00 0.00 43.42 43.39 1ujx n LEU 90 CO 0.00 -0.94 0.35 -0.55 -1.11 0.00 0.00 177.39 175.14 1ujx s SER 91 N -4.03 -0.11 0.00 1.96 0.15 -1.26 -1.58 113.70 108.83 1ujx s SER 91 Ca 0.49 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 56.30 1ujx s SER 91 Cb -0.02 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 1ujx s SER 91 CO 0.33 -1.30 0.00 0.61 1.20 0.00 0.00 173.24 174.07 1ujx n GLY 92 N -0.44 2.17 2.80 9.45 0.00 -0.13 -4.98 105.19 114.05 1ujx n GLY 92 Ca -0.03 -0.95 -0.16 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.33 0.28 -0.19 1.61 1.04 -1.26 -2.50 113.70 112.36 1ujx s SER 93 Ca 0.00 -0.00 -0.07 0.00 0.48 0.00 0.00 55.95 56.36 1ujx s SER 93 Cb 0.00 -0.16 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 1ujx s SER 93 CO 0.00 -0.11 0.06 -0.76 0.98 0.00 0.00 173.24 173.41 1ujx s LEU 94 N 1.03 3.75 0.37 2.42 1.02 0.35 -4.92 118.68 122.70 1ujx s LEU 94 Ca -0.10 0.04 0.05 0.00 0.02 0.00 0.00 54.13 54.15 1ujx s LEU 94 Cb -0.13 -1.95 -0.01 0.00 0.02 0.00 0.00 46.19 44.12 1ujx s LEU 94 CO -0.02 0.16 0.52 -0.44 0.02 0.00 0.00 176.35 176.59 1ujx s SER 95 N 0.48 5.91 -0.37 2.29 0.01 -1.26 -1.03 113.70 119.73 1ujx s SER 95 Ca 0.03 -0.09 -0.27 0.00 1.31 0.00 0.00 55.95 56.92 1ujx s SER 95 Cb -0.13 -1.27 -0.07 0.00 0.21 0.00 0.00 66.02 64.77 1ujx s SER 95 CO 0.01 -0.52 2.33 0.18 0.41 0.00 0.00 173.24 175.65 1ujx n LEU 96 N -1.76 2.71 0.00 2.44 4.77 -1.26 0.01 117.00 123.91 1ujx n LEU 96 Ca 0.01 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1ujx n LEU 96 Cb 0.58 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1ujx n LEU 96 CO 0.43 -1.12 0.00 0.61 -1.33 0.00 0.00 177.39 175.99 1ujx n GLY 97 N 5.94 1.20 3.68 -0.72 0.00 -0.42 -5.00 105.19 109.87 1ujx n GLY 97 Ca 0.35 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.99 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 1.69 -4.97 1.61 9.92 0.10 -4.48 116.55 120.42 1ujx n ASP 98 Ca 0.00 0.88 -0.21 0.00 -0.53 0.00 0.00 54.79 54.92 1ujx n ASP 98 Cb 0.00 -1.48 -0.02 0.00 -0.64 0.00 0.00 41.12 38.98 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 -1.40 5.04 -0.39 2.53 1.01 -1.26 -2.25 120.40 123.68 1ujx s VAL 99 Ca 0.76 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1ujx s VAL 99 Cb -0.42 -3.79 0.16 0.00 0.00 0.00 0.00 36.38 32.34 1ujx s VAL 99 CO 0.46 -0.34 0.30 -0.22 0.00 0.00 0.00 175.10 175.30 1ujx s LEU 100 N -4.07 1.12 -0.50 3.92 2.96 -1.09 0.53 118.68 121.56 1ujx s LEU 100 Ca 0.37 -2.64 -0.26 0.00 -0.22 0.00 0.00 54.13 51.38 1ujx s LEU 100 Cb -0.09 -0.34 -0.07 0.00 0.50 0.00 0.00 46.19 46.19 1ujx s LEU 100 CO 0.30 -0.23 2.40 -0.31 -1.32 0.00 0.00 176.35 177.19 1ujx s TYR 101 N 0.53 1.09 0.16 5.38 2.02 -0.64 -2.67 117.35 123.21 1ujx s TYR 101 Ca 0.26 1.56 -0.24 0.00 -0.37 0.00 0.00 57.07 58.29 1ujx s TYR 101 Cb -0.08 -3.59 0.02 0.00 -0.40 0.00 0.00 41.96 37.91 1ujx s TYR 101 CO -0.11 -2.50 1.36 -0.11 -1.57 0.00 0.00 175.55 172.62 1ujx n LEU 102 N 15.92 -0.82 -3.82 -1.29 0.00 -0.77 -3.48 117.00 122.73 1ujx n LEU 102 Ca 0.36 1.56 -0.06 0.00 0.00 0.00 0.00 56.01 57.87 1ujx n LEU 102 Cb 0.55 -0.25 -0.00 0.00 0.00 0.00 0.00 43.42 43.72 1ujx n LEU 102 CO 0.71 -1.30 0.61 0.54 0.00 0.00 0.00 177.39 177.94 1ujx s VAL 103 N -5.56 0.00 -1.26 1.96 0.11 -1.23 -4.70 120.40 109.73 1ujx s VAL 103 Ca -0.11 -0.84 -0.14 0.00 -2.93 0.00 0.00 61.98 57.96 1ujx s VAL 103 Cb 0.12 -2.29 0.13 0.00 -1.53 0.00 0.00 36.38 32.81 1ujx s VAL 103 CO 0.57 0.00 0.45 -3.20 -3.33 0.00 0.00 175.10 169.58 1ujx n ASN 104 N -0.75 -2.29 -1.57 3.54 2.85 -1.26 0.18 115.26 115.96 1ujx n ASN 104 Ca -0.05 -0.58 -0.07 0.00 -0.11 0.00 0.00 54.58 53.77 1ujx n ASN 104 Cb 0.60 -1.97 -0.02 0.00 1.24 0.00 0.00 39.78 39.63 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 -0.99 0.34 0.54 8.20 0.00 -1.26 -4.86 105.19 107.16 1ujx n GLY 105 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.82 0.00 -3.95 0.99 4.77 0.47 -4.84 117.00 112.61 1ujx n LEU 106 Ca -0.08 -0.46 -0.41 0.00 -0.03 0.00 0.00 56.01 55.03 1ujx n LEU 106 Cb 0.33 0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1ujx n LEU 106 CO 0.11 -0.10 -0.14 -1.22 -1.33 0.00 0.00 177.39 174.70 1ujx n TYR 107 N -0.26 -1.58 -2.50 -1.77 4.01 -1.26 -2.31 117.16 111.49 1ujx n TYR 107 Ca -0.03 0.22 -0.40 0.00 -0.16 0.00 0.00 57.90 57.53 1ujx n TYR 107 Cb 0.09 -2.96 -0.04 0.00 -0.31 0.00 0.00 39.34 36.12 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 -6.88 4.64 -0.35 -0.72 0.04 -1.26 -1.85 135.00 128.62 1ujx s PRO 108 Ca 0.46 1.76 0.01 0.00 0.04 0.00 0.00 61.00 63.27 1ujx s PRO 108 Cb -0.23 -3.22 0.09 0.00 0.04 0.00 0.00 34.50 31.19 1ujx s PRO 108 CO 0.94 0.20 0.08 -0.51 0.04 0.00 0.00 177.00 177.74 1ujx s LEU 109 N -1.13 4.70 0.07 -3.56 2.01 -1.09 -4.85 118.68 114.83 1ujx s LEU 109 Ca 0.46 -1.96 -0.30 0.00 0.01 0.00 0.00 54.13 52.33 1ujx s LEU 109 Cb -0.31 -1.69 -0.06 0.00 0.01 0.00 0.00 46.19 44.14 1ujx s LEU 109 CO 0.39 -0.40 1.17 -0.89 1.01 0.00 0.00 176.35 177.63 1ujx s THR 110 N 1.03 4.09 0.07 5.49 2.01 -1.26 -2.65 115.64 124.42 1ujx s THR 110 Ca 0.07 1.53 -0.27 0.00 0.31 0.00 0.00 61.69 63.33 1ujx s THR 110 Cb -0.20 -3.98 -0.06 0.00 0.01 0.00 0.00 72.50 68.27 1ujx s THR 110 CO -0.06 0.13 0.83 -0.22 -0.69 0.00 0.00 174.62 174.61 1ujx s LEU 111 N 0.90 4.47 0.03 4.42 2.96 -0.95 -0.58 118.68 129.93 1ujx s LEU 111 Ca 0.57 1.57 0.00 0.00 -0.22 0.00 0.00 54.13 56.05 1ujx s LEU 111 Cb -0.29 -3.35 -0.02 0.00 0.50 0.00 0.00 46.19 43.03 1ujx s LEU 111 CO 0.30 0.00 -0.04 -0.13 -1.32 0.00 0.00 176.35 175.16 1ujx s ARG 112 N -0.11 0.39 -0.04 1.98 1.81 0.10 -1.30 118.95 121.78 1ujx s ARG 112 Ca 0.41 -0.74 0.02 0.00 -1.72 0.00 0.00 55.73 53.70 1ujx s ARG 112 Cb -0.22 0.08 -0.03 0.00 -0.45 0.00 0.00 34.95 34.33 1ujx s ARG 112 CO 0.25 -0.05 -0.07 -0.46 -0.68 0.00 0.00 175.30 174.30 1ujx s TRP 113 N -1.89 2.92 0.04 -0.53 -0.11 -1.26 -0.57 118.94 117.54 1ujx s TRP 113 Ca -0.11 -0.00 -0.10 0.00 1.22 0.00 0.00 56.10 57.11 1ujx s TRP 113 Cb -0.07 -1.67 -0.05 0.00 -1.50 0.00 0.00 33.47 30.18 1ujx s TRP 113 CO -0.02 0.35 0.36 0.45 -4.62 0.00 0.00 176.95 173.46 1ujx s SER 114 N -1.08 6.62 0.00 5.86 0.15 -0.26 -4.98 113.70 120.01 1ujx s SER 114 Ca 0.15 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.54 1ujx s SER 114 Cb -0.11 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1ujx s SER 114 CO 0.04 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.32 1ujx n GLY 115 N 1.15 -0.98 3.58 9.45 0.00 -1.26 -3.89 105.19 113.24 1ujx n GLY 115 Ca -0.10 -1.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.86 3.24 -0.19 1.61 0.04 -1.26 -4.54 135.00 132.03 1ujx s PRO 116 Ca 0.00 -1.56 -0.14 0.00 0.04 0.00 0.00 61.00 59.34 1ujx s PRO 116 Cb 0.00 -5.39 -0.08 0.00 0.04 0.00 0.00 34.50 29.07 1ujx s PRO 116 CO 0.00 -3.11 -0.31 0.43 0.04 0.00 0.00 177.00 174.06 1ujx n SER 117 N 11.37 1.75 -2.68 6.66 7.64 -1.26 -5.09 113.62 132.01 1ujx n SER 117 Ca 0.46 0.30 -0.04 0.00 1.01 0.00 0.00 58.87 60.60 1ujx n SER 117 Cb 0.46 -0.70 -0.03 0.00 -1.01 0.00 0.00 64.21 62.93 1ujx n SER 117 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ujx n SER 118 N -4.19 -2.54 0.00 6.43 2.88 -1.26 -5.29 113.62 109.64 1ujx n SER 118 Ca -0.31 1.32 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1ujx n SER 118 Cb 0.65 -4.91 0.00 0.00 -0.75 0.00 0.00 64.21 59.21 1ujx n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42