#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 -0.05 -0.10 1.61 0.15 -1.26 -5.09 113.70 108.97 1ujx s SER 2 Ca 0.00 0.02 -0.11 0.00 0.70 0.00 0.00 55.95 56.56 1ujx s SER 2 Cb 0.00 0.04 -0.05 0.00 -1.71 0.00 0.00 66.02 64.31 1ujx s SER 2 CO 0.00 -0.06 -0.23 -1.20 1.20 0.00 0.00 173.24 172.95 1ujx n SER 3 N 0.18 1.59 0.00 5.45 7.64 -1.26 -5.13 113.62 122.10 1ujx n SER 3 Ca 0.02 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1ujx n SER 3 Cb 0.57 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1ujx n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujx n GLY 4 N 2.11 0.69 3.58 0.23 0.00 -1.26 -4.96 105.19 105.58 1ujx n GLY 4 Ca -0.14 -1.68 -0.49 0.00 0.00 0.00 0.00 46.02 43.72 1ujx n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ujx n SER 5 N 0.00 2.89 -4.37 1.61 3.41 -1.26 -4.76 113.62 111.14 1ujx n SER 5 Ca 0.00 0.62 -0.54 0.00 -0.26 0.00 0.00 58.87 58.69 1ujx n SER 5 Cb 0.00 -1.36 -0.09 0.00 -0.26 0.00 0.00 64.21 62.50 1ujx n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ujx n SER 6 N 8.75 1.59 -1.60 4.04 2.88 -1.26 -4.28 113.62 123.74 1ujx n SER 6 Ca 0.31 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 1ujx n SER 6 Cb 0.29 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 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 6.90 -4.58 0.59 0.46 0.00 -1.26 -5.00 105.19 102.29 1ujx n GLY 7 Ca 0.46 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 1ujx n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ujx n MET 8 N -1.12 0.27 -1.82 1.61 0.00 -1.26 -5.02 117.12 109.77 1ujx n MET 8 Ca 0.00 0.11 -0.38 0.00 0.00 0.00 0.00 57.70 57.43 1ujx n MET 8 Cb 0.06 -0.96 0.04 0.00 0.00 0.00 0.00 33.22 32.37 1ujx n MET 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1ujx s SER 9 N -6.06 5.17 -0.36 7.83 0.15 -1.26 -5.00 113.70 114.17 1ujx s SER 9 Ca -0.16 2.69 -0.00 0.00 0.70 0.00 0.00 55.95 59.18 1ujx s SER 9 Cb 0.04 -2.63 0.18 0.00 -1.71 0.00 0.00 66.02 61.91 1ujx s SER 9 CO 0.22 -1.63 0.82 -1.10 1.20 0.00 0.00 173.24 172.75 1ujx s GLN 10 N -3.02 0.51 -0.19 5.44 -0.21 -1.26 -5.04 119.66 115.88 1ujx s GLN 10 Ca 0.74 -0.11 -0.16 0.00 0.02 0.00 0.00 55.36 55.85 1ujx s GLN 10 Cb -0.39 0.07 -0.11 0.00 1.00 0.00 0.00 33.01 33.59 1ujx s GLN 10 CO 0.44 -0.75 -0.04 1.28 -2.12 0.00 0.00 175.29 174.10 1ujx n LEU 11 N 4.22 1.86 0.00 2.90 4.77 -1.26 -5.10 117.00 124.40 1ujx n LEU 11 Ca 0.08 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1ujx n LEU 11 Cb 0.59 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1ujx n LEU 11 CO -0.05 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 1ujx n GLY 12 N 1.48 2.35 3.49 -0.72 0.00 -1.26 -5.19 105.19 105.34 1ujx n GLY 12 Ca -0.24 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 1ujx n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujx s SER 13 N 2.00 -0.44 0.58 1.61 0.01 -1.26 -5.15 113.70 111.05 1ujx s SER 13 Ca 0.00 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.35 1ujx s SER 13 Cb 0.00 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.68 1ujx s SER 13 CO 0.00 -0.69 0.00 0.54 0.41 0.00 0.00 173.24 173.50 1ujx n ARG 14 N -0.11 -3.32 -0.34 12.44 5.12 -1.26 -4.88 116.66 124.31 1ujx n ARG 14 Ca -0.12 2.63 -0.30 0.00 -1.93 0.00 0.00 57.85 58.13 1ujx n ARG 14 Cb 0.62 -3.90 0.29 0.00 -1.16 0.00 0.00 32.46 28.30 1ujx n ARG 14 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1ujx s GLY 15 N -7.30 1.41 -0.05 -0.13 0.00 -1.26 -5.03 107.32 94.96 1ujx s GLY 15 Ca 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 43.96 1ujx s GLY 15 CO 0.00 0.23 -0.04 0.50 0.00 0.00 0.00 173.10 173.79 1ujx s ARG 16 N -5.02 0.83 0.27 2.90 1.81 -1.23 -4.89 118.95 113.62 1ujx s ARG 16 Ca 0.68 -0.09 -0.27 0.00 -1.72 0.00 0.00 55.73 54.34 1ujx s ARG 16 Cb -0.14 -0.87 -0.09 0.00 -0.45 0.00 0.00 34.95 33.40 1ujx s ARG 16 CO 0.58 -0.10 0.90 -0.51 -0.68 0.00 0.00 175.30 175.49 1ujx s LEU 17 N 1.02 4.48 -0.11 2.53 1.43 -1.26 -0.38 118.68 126.39 1ujx s LEU 17 Ca -0.09 1.81 -0.30 0.00 -1.03 0.00 0.00 54.13 54.51 1ujx s LEU 17 Cb -0.14 -3.75 0.10 0.00 0.03 0.00 0.00 46.19 42.43 1ujx s LEU 17 CO -0.00 0.05 0.86 -1.66 0.23 0.00 0.00 176.35 175.83 1ujx s TRP 18 N -1.40 -0.48 0.16 0.29 1.48 -0.74 -2.14 118.94 116.10 1ujx s TRP 18 Ca 0.45 0.80 -0.08 0.00 -1.06 0.00 0.00 56.10 56.21 1ujx s TRP 18 Cb -0.21 0.44 -0.06 0.00 -1.16 0.00 0.00 33.47 32.47 1ujx s TRP 18 CO 0.27 -0.46 0.46 -0.51 -4.06 0.00 0.00 176.95 172.64 1ujx s LEU 19 N -1.22 4.25 -0.49 -4.66 2.01 -1.22 0.18 118.68 117.53 1ujx s LEU 19 Ca -0.05 0.79 -0.04 0.00 0.01 0.00 0.00 54.13 54.84 1ujx s LEU 19 Cb -0.00 -3.38 0.13 0.00 0.01 0.00 0.00 46.19 42.95 1ujx s LEU 19 CO 0.04 0.03 0.31 -1.58 1.01 0.00 0.00 176.35 176.16 1ujx s GLN 20 N -2.51 2.27 0.47 1.70 0.74 0.23 -4.16 119.66 118.39 1ujx s GLN 20 Ca 0.41 -2.05 -0.23 0.00 0.05 0.00 0.00 55.36 53.55 1ujx s GLN 20 Cb -0.12 -3.69 -0.07 0.00 1.10 0.00 0.00 33.01 30.23 1ujx s GLN 20 CO 0.22 -1.13 1.23 -1.54 -0.55 0.00 0.00 175.29 173.52 1ujx s SER 21 N 1.59 6.02 0.37 6.67 1.04 -1.26 -2.79 113.70 125.34 1ujx s SER 21 Ca 0.11 2.46 -0.25 0.00 0.48 0.00 0.00 55.95 58.74 1ujx s SER 21 Cb -0.22 -2.62 -0.09 0.00 0.10 0.00 0.00 66.02 63.19 1ujx s SER 21 CO -0.04 -1.03 1.06 -2.16 0.98 0.00 0.00 173.24 172.05 1ujx s PRO 22 N -2.65 4.29 0.17 4.02 0.04 -1.26 -4.77 135.00 134.84 1ujx s PRO 22 Ca 0.64 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1ujx s PRO 22 Cb -0.33 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.50 1ujx s PRO 22 CO 0.40 -0.05 0.00 -2.37 0.04 0.00 0.00 177.00 175.02 1ujx n THR 23 N 0.27 0.00 -0.60 1.26 5.66 -1.26 -3.98 114.28 115.62 1ujx n THR 23 Ca 0.03 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.00 1ujx n THR 23 Cb 0.48 -0.13 -0.02 0.00 -1.55 0.00 0.00 70.33 69.11 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 -1.81 2.72 0.00 1.09 0.00 -1.26 -4.82 105.19 101.11 1ujx n GLY 24 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 1.51 -2.50 3.78 -0.02 0.00 -1.26 -4.99 105.19 101.71 1ujx n GLY 25 Ca 0.08 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 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 0.76 0.99 1.61 0.04 -1.26 -5.06 135.00 132.08 1ujx s PRO 26 Ca 0.00 0.15 -0.15 0.00 0.04 0.00 0.00 61.00 61.04 1ujx s PRO 26 Cb 0.00 -1.81 0.19 0.00 0.04 0.00 0.00 34.50 32.92 1ujx s PRO 26 CO 0.00 -2.42 1.18 -1.25 0.04 0.00 0.00 177.00 174.54 1ujx s PRO 27 N -5.38 0.46 -0.37 0.56 0.04 -1.26 -4.79 135.00 124.26 1ujx s PRO 27 Ca 0.66 0.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.44 1ujx s PRO 27 Cb -0.13 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.64 1ujx s PRO 27 CO 0.54 -2.61 1.39 -1.25 0.04 0.00 0.00 177.00 175.10 1ujx s PRO 28 N -5.46 3.69 -0.42 0.56 0.04 -1.26 -4.89 135.00 127.27 1ujx s PRO 28 Ca 0.68 1.07 -0.29 0.00 0.04 0.00 0.00 61.00 62.50 1ujx s PRO 28 Cb -0.11 -3.98 0.02 0.00 0.04 0.00 0.00 34.50 30.48 1ujx s PRO 28 CO 0.54 -1.41 1.12 0.42 0.04 0.00 0.00 177.00 177.71 1ujx s ILE 29 N 5.08 4.31 -0.48 0.56 1.09 -1.26 -4.93 121.20 125.57 1ujx s ILE 29 Ca 0.60 1.41 -0.24 0.00 -1.10 0.00 0.00 60.65 61.32 1ujx s ILE 29 Cb -0.15 -4.53 0.03 0.00 -1.06 0.00 0.00 42.46 36.75 1ujx s ILE 29 CO 0.29 -0.82 0.88 -0.36 -0.10 0.00 0.00 174.94 174.84 1ujx s PHE 30 N 4.18 2.91 0.94 3.97 0.40 -1.26 -3.45 117.98 125.67 1ujx s PHE 30 Ca 0.47 0.20 -0.11 0.00 -0.60 0.00 0.00 56.93 56.89 1ujx s PHE 30 Cb -0.09 -3.90 0.16 0.00 0.51 0.00 0.00 43.02 39.70 1ujx s PHE 30 CO 0.26 -1.13 1.11 -0.51 0.70 0.00 0.00 175.22 175.65 1ujx s LEU 31 N 3.65 2.45 0.46 -0.37 1.43 -0.91 -4.97 118.68 120.42 1ujx s LEU 31 Ca 0.33 1.97 -0.22 0.00 -1.03 0.00 0.00 54.13 55.19 1ujx s LEU 31 Cb -0.11 -4.31 -0.09 0.00 0.03 0.00 0.00 46.19 41.71 1ujx s LEU 31 CO 0.23 -3.15 1.04 -2.16 0.23 0.00 0.00 176.35 172.54 1ujx s PRO 32 N -4.67 3.93 -0.03 1.29 0.04 -1.26 -4.73 135.00 129.57 1ujx s PRO 32 Ca 0.66 1.42 0.21 0.00 0.04 0.00 0.00 61.00 63.33 1ujx s PRO 32 Cb -0.22 -2.25 -0.29 0.00 0.04 0.00 0.00 34.50 31.78 1ujx s PRO 32 CO 0.59 -0.33 0.49 0.45 0.04 0.00 0.00 177.00 178.23 1ujx n SER 33 N -0.66 0.10 -0.05 6.66 2.88 -1.26 -3.99 113.62 117.31 1ujx n SER 33 Ca 0.08 0.04 0.14 0.00 -1.33 0.00 0.00 58.87 57.80 1ujx n SER 33 Cb 0.51 1.66 0.55 0.00 -0.75 0.00 0.00 64.21 66.19 1ujx n SER 33 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1ujx h ASP 34 N 0.00 0.27 0.00 -3.46 3.32 -1.93 -3.45 116.42 111.17 1ujx h ASP 34 Ca -0.08 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1ujx h ASP 34 Cb 1.19 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1ujx h ASP 34 CO 0.01 0.16 0.00 0.61 -1.72 0.00 0.00 179.24 178.30 1ujx n GLY 35 N -1.55 0.79 3.02 2.75 0.00 -1.26 -5.13 105.19 103.81 1ujx n GLY 35 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.81 -3.92 1.61 6.02 -1.26 -4.79 117.38 113.23 1ujx n GLN 36 Ca 0.00 -0.53 -0.27 0.00 -0.01 0.00 0.00 57.00 56.19 1ujx n GLN 36 Cb 0.00 -1.42 -0.17 0.00 1.02 0.00 0.00 30.24 29.67 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 -2.08 1.34 -0.54 -1.58 0.00 -1.26 -4.20 121.76 113.44 1ujx s ALA 37 Ca 0.35 -0.55 -0.21 0.00 0.00 0.00 0.00 51.96 51.55 1ujx s ALA 37 Cb -0.05 -0.91 0.06 0.00 0.00 0.00 0.00 23.12 22.22 1ujx s ALA 37 CO 0.37 -0.41 0.74 -1.17 0.00 0.00 0.00 175.76 175.29 1ujx s LEU 38 N 1.69 4.74 -0.12 0.00 2.96 0.42 -4.82 118.68 123.54 1ujx s LEU 38 Ca 0.05 -0.82 -0.29 0.00 -0.22 0.00 0.00 54.13 52.84 1ujx s LEU 38 Cb -0.13 -2.53 -0.02 0.00 0.50 0.00 0.00 46.19 44.01 1ujx s LEU 38 CO -0.08 -1.04 1.24 -0.69 -1.32 0.00 0.00 176.35 174.46 1ujx s VAL 39 N 3.08 4.26 0.59 1.68 1.01 -1.26 -1.46 120.40 128.30 1ujx s VAL 39 Ca 0.19 1.55 0.05 0.00 0.00 0.00 0.00 61.98 63.77 1ujx s VAL 39 Cb -0.18 -4.00 0.08 0.00 0.00 0.00 0.00 36.38 32.28 1ujx s VAL 39 CO 0.13 -0.09 0.81 -0.22 0.00 0.00 0.00 175.10 175.74 1ujx s LEU 40 N 3.03 3.19 0.00 3.92 2.96 -0.79 -4.94 118.68 126.05 1ujx s LEU 40 Ca 0.55 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 1ujx s LEU 40 Cb -0.23 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.34 1ujx s LEU 40 CO 0.17 -1.37 0.00 0.61 -1.32 0.00 0.00 176.35 174.44 1ujx n GLY 41 N -2.38 0.48 3.74 7.98 0.00 -1.26 -2.57 105.19 111.19 1ujx n GLY 41 Ca 0.13 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 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 4.36 0.00 1.61 0.52 -1.25 -4.49 118.95 117.70 1ujx s ARG 42 Ca 0.00 2.13 0.00 0.00 -0.52 0.00 0.00 55.73 57.34 1ujx s ARG 42 Cb 0.00 -3.16 0.00 0.00 0.52 0.00 0.00 34.95 32.31 1ujx s ARG 42 CO 0.00 -0.29 0.00 0.41 0.02 0.00 0.00 175.30 175.44 1ujx n GLY 43 N 2.21 -0.24 0.00 -3.53 0.00 -0.56 -4.70 105.19 98.37 1ujx n GLY 43 Ca 0.06 -1.65 0.11 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.61 0.00 0.24 1.61 -0.04 -1.26 -1.04 135.00 133.90 1ujx n PRO 44 Ca 0.00 0.12 -0.17 0.00 -0.04 0.00 0.00 63.50 63.42 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 -1.33 -2.03 1.53 4.07 -1.90 -3.20 115.31 112.45 1ujx h LEU 45 Ca 0.00 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1ujx h LEU 45 Cb 0.38 0.45 0.00 0.00 1.08 0.00 0.00 40.66 42.57 1ujx h LEU 45 CO 0.00 -0.60 0.00 0.35 -1.08 0.00 0.00 178.44 177.11 1ujx n THR 46 N -5.27 0.42 -1.43 0.22 -2.24 -1.24 -4.72 114.28 100.01 1ujx n THR 46 Ca -0.10 -0.71 -0.15 0.00 -2.27 0.00 0.00 64.05 60.82 1ujx n THR 46 Cb 0.42 0.93 -0.06 0.00 -2.10 0.00 0.00 70.33 69.51 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 0.58 -1.09 -2.79 -0.78 1.13 -0.21 -4.73 117.38 109.50 1ujx n GLN 47 Ca 0.09 1.01 -0.41 0.00 -1.94 0.00 0.00 57.00 55.75 1ujx n GLN 47 Cb 0.34 -5.17 -0.04 0.00 0.11 0.00 0.00 30.24 25.48 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 -2.52 4.61 -0.08 5.09 1.01 -1.01 -4.91 120.40 122.61 1ujx s VAL 48 Ca 0.00 1.96 0.14 0.00 0.00 0.00 0.00 61.98 64.08 1ujx s VAL 48 Cb 0.00 -4.27 0.27 0.00 0.00 0.00 0.00 36.38 32.38 1ujx s VAL 48 CO 0.00 0.30 1.13 0.35 0.00 0.00 0.00 175.10 176.88 1ujx n THR 49 N 2.97 0.92 -2.86 3.92 -2.24 -1.26 -1.49 114.28 114.24 1ujx n THR 49 Ca 0.02 -1.49 -0.40 0.00 -2.27 0.00 0.00 64.05 59.91 1ujx n THR 49 Cb 0.50 0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 68.98 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 -2.18 7.36 0.15 3.42 2.15 -1.26 -4.96 116.67 121.35 1ujx s ASP 50 Ca 0.24 1.63 -0.16 0.00 0.43 0.00 0.00 52.55 54.69 1ujx s ASP 50 Cb 0.25 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 40.34 1ujx s ASP 50 CO -0.05 -0.02 1.80 0.03 -0.17 0.00 0.00 175.17 176.76 1ujx h ARG 51 N 5.57 0.52 -0.98 4.34 3.08 -2.05 -1.10 114.38 123.76 1ujx h ARG 51 Ca -0.43 -0.04 0.27 0.00 0.07 0.00 0.00 59.98 59.85 1ujx h ARG 51 Cb 1.21 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 31.10 1ujx h ARG 51 CO 0.71 0.36 0.69 0.87 -1.07 0.00 0.00 179.97 181.54 1ujx h LYS 52 N 0.52 0.07 -6.71 0.04 1.79 -2.04 -3.39 116.57 106.86 1ujx h LYS 52 Ca 0.14 -0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.09 1ujx h LYS 52 Cb -0.03 -0.02 0.03 0.00 -1.58 0.00 0.00 32.23 30.63 1ujx h LYS 52 CO -0.03 0.05 0.61 0.00 -1.08 0.00 0.00 179.45 179.00 1ujx s SER 54 N 0.06 4.31 0.39 0.00 0.01 -1.26 -4.62 113.70 112.59 1ujx s SER 54 Ca 0.53 -0.21 0.29 0.00 1.31 0.00 0.00 55.95 57.87 1ujx s SER 54 Cb -0.35 -1.47 1.33 0.00 0.21 0.00 0.00 66.02 65.74 1ujx s SER 54 CO 0.40 0.23 1.39 0.54 0.41 0.00 0.00 173.24 176.20 1ujx n ARG 55 N 3.13 -0.03 -3.01 12.44 1.74 -1.26 0.69 116.66 130.36 1ujx n ARG 55 Ca -0.18 1.11 -0.26 0.00 -0.77 0.00 0.00 57.85 57.76 1ujx n ARG 55 Cb 0.53 -2.20 -0.04 0.00 -1.02 0.00 0.00 32.46 29.73 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 -4.48 3.86 -0.06 0.55 4.13 -1.25 -4.07 115.26 113.93 1ujx n ASN 56 Ca 0.36 -3.56 -0.11 0.00 1.68 0.00 0.00 54.58 52.94 1ujx n ASN 56 Cb 1.40 -0.58 -0.05 0.00 -1.54 0.00 0.00 39.78 39.01 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 3.07 0.34 -3.76 3.52 5.75 0.54 -2.87 115.11 121.70 1ujx h GLN 57 Ca 0.13 -0.10 -0.09 0.00 -0.15 0.00 0.00 58.65 58.43 1ujx h GLN 57 Cb 0.58 -0.03 -0.15 0.00 1.07 0.00 0.00 27.48 28.95 1ujx h GLN 57 CO 0.77 0.53 -0.39 0.14 -2.65 0.00 0.00 178.83 177.22 1ujx s VAL 58 N -5.06 0.14 -0.36 2.39 -7.23 -1.25 -1.73 120.40 107.30 1ujx s VAL 58 Ca -0.14 -1.12 -0.04 0.00 -1.81 0.00 0.00 61.98 58.87 1ujx s VAL 58 Cb 0.07 -1.22 0.07 0.00 0.56 0.00 0.00 36.38 35.86 1ujx s VAL 58 CO 0.73 -0.62 0.12 -0.70 -0.31 0.00 0.00 175.10 174.32 1ujx s GLU 59 N -3.48 2.38 0.16 4.82 2.12 0.21 -1.89 118.70 123.02 1ujx s GLU 59 Ca 0.02 -1.43 -0.22 0.00 0.36 0.00 0.00 54.97 53.70 1ujx s GLU 59 Cb 0.03 -3.45 -0.08 0.00 0.26 0.00 0.00 34.13 30.89 1ujx s GLU 59 CO -0.09 -0.81 0.70 -0.51 -0.54 0.00 0.00 175.26 174.01 1ujx s LEU 60 N 1.28 4.50 -0.06 2.70 1.02 -0.53 -2.14 118.68 125.45 1ujx s LEU 60 Ca 0.01 1.47 -0.02 0.00 0.02 0.00 0.00 54.13 55.61 1ujx s LEU 60 Cb -0.21 -3.26 0.03 0.00 0.02 0.00 0.00 46.19 42.77 1ujx s LEU 60 CO -0.01 0.18 0.03 -0.63 0.02 0.00 0.00 176.35 175.95 1ujx s ILE 61 N -1.25 0.13 0.08 -0.59 1.01 -0.54 0.16 121.20 120.20 1ujx s ILE 61 Ca 0.36 0.24 -0.31 0.00 0.00 0.00 0.00 60.65 60.94 1ujx s ILE 61 Cb -0.20 -0.36 -0.06 0.00 0.01 0.00 0.00 42.46 41.84 1ujx s ILE 61 CO 0.23 0.19 1.20 0.00 0.00 0.00 0.00 174.94 176.55 1ujx s ALA 62 N 2.07 3.40 -0.50 9.38 0.00 -1.26 -1.78 121.76 133.08 1ujx s ALA 62 Ca 0.05 0.86 0.03 0.00 0.00 0.00 0.00 51.96 52.90 1ujx s ALA 62 Cb -0.12 -3.44 0.15 0.00 0.00 0.00 0.00 23.12 19.71 1ujx s ALA 62 CO -0.04 -0.42 0.33 -0.51 0.00 0.00 0.00 175.76 175.11 1ujx s ASP 63 N 0.92 3.40 0.00 0.00 1.11 0.15 -4.64 116.67 117.61 1ujx s ASP 63 Ca 0.58 -3.04 0.22 0.00 0.18 0.00 0.00 52.55 50.49 1ujx s ASP 63 Cb -0.30 -1.04 1.32 0.00 1.07 0.00 0.00 42.92 43.98 1ujx s ASP 63 CO 0.30 -0.20 1.72 -0.81 1.18 0.00 0.00 175.17 177.36 1ujx n PRO 64 N 2.98 0.75 0.09 8.23 -0.04 -1.26 -0.57 135.00 145.17 1ujx n PRO 64 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1ujx n PRO 64 Cb 0.38 -1.46 0.32 0.00 -0.04 0.00 0.00 33.50 32.69 1ujx n PRO 64 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1ujx h GLU 65 N 0.00 0.29 -0.09 0.54 4.11 -1.92 -3.33 114.58 114.18 1ujx h GLU 65 Ca 0.00 -0.09 -0.18 0.00 0.07 0.00 0.00 59.36 59.17 1ujx h GLU 65 Cb 0.00 -0.03 -0.24 0.00 0.50 0.00 0.00 28.75 28.98 1ujx h GLU 65 CO 0.00 0.49 -0.59 0.43 0.07 0.00 0.00 179.01 179.41 1ujx n SER 66 N -4.19 -0.25 -3.70 3.06 7.64 -1.18 -5.03 113.62 109.98 1ujx n SER 66 Ca -0.01 -2.08 -0.25 0.00 1.01 0.00 0.00 58.87 57.55 1ujx n SER 66 Cb 0.34 0.15 0.01 0.00 -1.01 0.00 0.00 64.21 63.70 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 -0.55 -1.26 -4.16 1.43 3.00 -0.91 -4.98 116.66 109.24 1ujx n ARG 67 Ca -0.11 0.73 -0.16 0.00 -0.01 0.00 0.00 57.85 58.30 1ujx n ARG 67 Cb 0.86 -3.16 -0.06 0.00 0.00 0.00 0.00 32.46 30.10 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 -3.14 0.00 -0.19 0.55 -4.23 0.26 -4.24 115.64 104.64 1ujx s THR 68 Ca 0.15 -1.77 -0.17 0.00 -1.18 0.00 0.00 61.69 58.72 1ujx s THR 68 Cb -0.07 -2.55 0.05 0.00 1.34 0.00 0.00 72.50 71.27 1ujx s THR 68 CO 0.88 0.00 0.51 -0.69 -0.54 0.00 0.00 174.62 174.78 1ujx s VAL 69 N -3.37 -0.00 -0.06 2.29 1.01 -0.28 -0.68 120.40 119.31 1ujx s VAL 69 Ca 0.35 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 1ujx s VAL 69 Cb 0.01 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 1ujx s VAL 69 CO 0.21 0.00 0.16 0.00 0.00 0.00 0.00 175.10 175.47 1ujx s ALA 70 N 0.45 3.90 -0.10 5.51 0.00 -0.73 0.19 121.76 130.98 1ujx s ALA 70 Ca -0.01 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1ujx s ALA 70 Cb -0.04 -1.90 0.02 0.00 0.00 0.00 0.00 23.12 21.20 1ujx s ALA 70 CO -0.02 0.69 -0.10 0.08 0.00 0.00 0.00 175.76 176.41 1ujx s VAL 71 N -1.19 1.13 -0.16 0.00 1.01 0.56 -1.47 120.40 120.28 1ujx s VAL 71 Ca 0.22 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1ujx s VAL 71 Cb -0.12 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.18 1ujx s VAL 71 CO 0.12 0.38 -0.17 -0.75 0.00 0.00 0.00 175.10 174.68 1ujx s LYS 72 N 1.35 2.60 -0.26 2.72 2.20 -0.91 0.51 119.74 127.95 1ujx s LYS 72 Ca -0.01 -0.68 -0.29 0.00 -0.36 0.00 0.00 55.97 54.63 1ujx s LYS 72 Cb -0.14 -2.30 -0.00 0.00 -1.51 0.00 0.00 37.83 33.88 1ujx s LYS 72 CO -0.05 -0.22 1.25 -1.14 -0.36 0.00 0.00 175.35 174.83 1ujx s GLN 73 N 1.39 4.05 0.00 4.03 0.74 -0.99 0.63 119.66 129.51 1ujx s GLN 73 Ca 0.05 1.36 0.02 0.00 0.05 0.00 0.00 55.36 56.83 1ujx s GLN 73 Cb -0.13 -3.82 0.05 0.00 1.10 0.00 0.00 33.01 30.21 1ujx s GLN 73 CO -0.11 -0.94 0.96 1.28 -0.55 0.00 0.00 175.29 175.92 1ujx n LEU 74 N 7.16 1.99 0.00 3.68 4.77 -0.70 -1.79 117.00 132.10 1ujx n LEU 74 Ca 0.14 -1.82 0.00 0.00 -0.03 0.00 0.00 56.01 54.30 1ujx n LEU 74 Cb 0.46 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1ujx n LEU 74 CO 0.60 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 1ujx n GLY 75 N -0.24 1.86 0.96 -0.72 0.00 -1.00 -4.81 105.19 101.24 1ujx n GLY 75 Ca 0.02 -1.82 -0.01 0.00 0.00 0.00 0.00 46.02 44.21 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 0.13 -2.07 1.61 3.14 -1.26 -4.81 118.33 115.07 1ujx n VAL 76 Ca 0.00 -0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.97 1ujx n VAL 76 Cb 0.00 -1.52 -0.02 0.00 -1.06 0.00 0.00 33.84 31.24 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 -5.17 6.72 -0.00 6.55 0.01 -1.26 -4.67 114.94 117.12 1ujx s ASN 77 Ca -0.02 2.71 -0.30 0.00 -0.71 0.00 0.00 52.86 54.53 1ujx s ASN 77 Cb 0.01 -2.64 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 1ujx s ASN 77 CO 0.02 -0.59 1.19 -2.16 -1.51 0.00 0.00 177.10 174.06 1ujx s PRO 78 N -1.51 4.40 0.37 -0.60 0.04 -1.26 -4.89 135.00 131.55 1ujx s PRO 78 Ca 0.51 1.71 -0.02 0.00 0.04 0.00 0.00 61.00 63.24 1ujx s PRO 78 Cb -0.41 -3.46 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 1ujx s PRO 78 CO 0.52 -0.35 0.61 -1.12 0.04 0.00 0.00 177.00 176.70 1ujx s SER 79 N 1.29 6.31 -0.22 6.66 0.01 -1.26 -4.57 113.70 121.91 1ujx s SER 79 Ca 0.57 0.61 0.02 0.00 1.31 0.00 0.00 55.95 58.46 1ujx s SER 79 Cb -0.27 -2.10 0.04 0.00 0.21 0.00 0.00 66.02 63.90 1ujx s SER 79 CO 0.26 -0.36 -0.15 -0.89 0.41 0.00 0.00 173.24 172.51 1ujx s THR 80 N -2.40 2.10 -0.78 1.44 2.01 -1.23 0.19 115.64 116.97 1ujx s THR 80 Ca 0.42 -1.32 -0.16 0.00 0.31 0.00 0.00 61.69 60.95 1ujx s THR 80 Cb -0.10 -2.08 0.18 0.00 0.01 0.00 0.00 72.50 70.51 1ujx s THR 80 CO 0.38 0.21 0.79 -0.69 -0.69 0.00 0.00 174.62 174.61 1ujx s VAL 81 N 1.19 5.33 0.00 3.82 1.01 -0.18 -1.01 120.40 130.57 1ujx s VAL 81 Ca -0.03 -2.04 0.00 0.00 0.00 0.00 0.00 61.98 59.91 1ujx s VAL 81 Cb -0.17 -4.51 0.00 0.00 0.00 0.00 0.00 36.38 31.70 1ujx s VAL 81 CO -0.08 -1.10 0.00 0.61 0.00 0.00 0.00 175.10 174.53 1ujx n GLY 82 N 4.53 1.52 0.51 4.51 0.00 0.70 -3.34 105.19 113.63 1ujx n GLY 82 Ca 0.09 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.78 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 0.42 -4.69 1.61 3.14 -1.26 -4.75 118.33 112.79 1ujx n VAL 83 Ca 0.00 -0.62 -0.25 0.00 -2.96 0.00 0.00 64.34 60.51 1ujx n VAL 83 Cb 0.00 0.38 -0.14 0.00 -1.06 0.00 0.00 33.84 33.02 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 -0.64 1.40 -0.04 1.45 0.74 -1.21 -5.13 119.66 116.22 1ujx s GLN 84 Ca 0.10 -0.86 -0.17 0.00 0.05 0.00 0.00 55.36 54.48 1ujx s GLN 84 Cb 0.10 -1.46 -0.05 0.00 1.10 0.00 0.00 33.01 32.70 1ujx s GLN 84 CO -0.01 0.38 0.47 -2.00 -0.55 0.00 0.00 175.29 173.58 1ujx s GLU 85 N -0.99 4.17 0.15 1.67 2.56 -1.26 -1.01 118.70 124.00 1ujx s GLU 85 Ca 0.07 0.50 0.01 0.00 0.00 0.00 0.00 54.97 55.54 1ujx s GLU 85 Cb -0.08 -3.33 0.03 0.00 2.00 0.00 0.00 34.13 32.75 1ujx s GLU 85 CO 0.01 0.43 0.21 1.28 -0.56 0.00 0.00 175.26 176.63 1ujx n LEU 86 N 2.67 0.00 -4.10 2.70 4.77 0.49 -4.95 117.00 118.59 1ujx n LEU 86 Ca -0.10 -0.51 -0.12 0.00 -0.03 0.00 0.00 56.01 55.25 1ujx n LEU 86 Cb 0.52 -0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.42 1ujx n LEU 86 CO 0.41 -0.58 0.02 -0.54 -1.33 0.00 0.00 177.39 175.36 1ujx s LYS 87 N -2.82 1.53 -0.35 3.23 1.02 -1.26 -4.40 119.74 116.67 1ujx s LYS 87 Ca 0.14 -1.53 -0.29 0.00 0.02 0.00 0.00 55.97 54.32 1ujx s LYS 87 Cb -0.01 0.39 0.00 0.00 -0.52 0.00 0.00 37.83 37.70 1ujx s LYS 87 CO 0.09 -0.59 1.38 -1.25 -0.92 0.00 0.00 175.35 174.06 1ujx s PRO 88 N -3.82 3.73 0.00 -1.68 0.04 -1.26 -2.20 135.00 129.81 1ujx s PRO 88 Ca 0.31 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1ujx s PRO 88 Cb 0.02 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1ujx s PRO 88 CO 0.13 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 176.22 1ujx n GLY 89 N 4.74 0.65 3.72 0.56 0.00 -0.74 -5.06 105.19 109.05 1ujx n GLY 89 Ca 0.16 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 -0.94 -4.88 117.00 116.48 1ujx n LEU 90 Ca 0.00 -1.64 -0.10 0.00 -1.11 0.00 0.00 56.01 53.17 1ujx n LEU 90 Cb 0.00 -0.85 -0.07 0.00 0.53 0.00 0.00 43.42 43.03 1ujx n LEU 90 CO 0.00 -1.25 0.37 -0.44 -1.11 0.00 0.00 177.39 174.96 1ujx s SER 91 N -5.40 -0.87 0.04 1.96 0.01 -1.26 -2.34 113.70 105.85 1ujx s SER 91 Ca 0.69 1.49 0.01 0.00 1.31 0.00 0.00 55.95 59.44 1ujx s SER 91 Cb -0.03 1.41 -0.00 0.00 0.21 0.00 0.00 66.02 67.61 1ujx s SER 91 CO 0.48 -0.24 0.02 0.61 0.41 0.00 0.00 173.24 174.51 1ujx n GLY 92 N 3.74 3.98 3.25 3.44 0.00 0.18 -4.96 105.19 114.83 1ujx n GLY 92 Ca -0.18 -1.87 -0.19 0.00 0.00 0.00 0.00 46.02 43.78 1ujx n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujx s SER 93 N -1.28 2.11 -0.11 1.61 0.01 -1.26 -0.33 113.70 114.46 1ujx s SER 93 Ca 0.03 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.50 1ujx s SER 93 Cb 0.00 -0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.17 1ujx s SER 93 CO 0.02 -0.11 -0.09 -0.76 0.41 0.00 0.00 173.24 172.71 1ujx s LEU 94 N -2.40 1.35 0.59 2.44 1.43 0.51 -4.90 118.68 117.71 1ujx s LEU 94 Ca 0.09 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1ujx s LEU 94 Cb -0.06 -0.88 0.06 0.00 0.03 0.00 0.00 46.19 45.35 1ujx s LEU 94 CO 0.04 -0.08 0.83 -0.44 0.23 0.00 0.00 176.35 176.92 1ujx s SER 95 N 1.44 5.02 -0.12 2.29 0.01 -1.26 -1.13 113.70 119.95 1ujx s SER 95 Ca 0.00 -0.20 -0.29 0.00 1.31 0.00 0.00 55.95 56.77 1ujx s SER 95 Cb -0.13 -0.52 -0.06 0.00 0.21 0.00 0.00 66.02 65.52 1ujx s SER 95 CO -0.06 -1.34 1.89 -0.76 0.41 0.00 0.00 173.24 173.39 1ujx s LEU 96 N -4.84 4.00 0.00 2.44 1.43 -1.26 -1.59 118.68 118.87 1ujx s LEU 96 Ca 0.60 2.10 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 1ujx s LEU 96 Cb -0.09 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.61 1ujx s LEU 96 CO 0.40 -1.34 0.00 0.61 0.23 0.00 0.00 176.35 176.25 1ujx n GLY 97 N 4.85 2.87 3.13 -3.19 0.00 -0.24 -5.00 105.19 107.60 1ujx n GLY 97 Ca 0.22 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 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 0.47 -4.40 -4.70 1.61 9.92 -0.62 -4.39 116.55 114.44 1ujx n ASP 98 Ca 0.00 0.18 -0.23 0.00 -0.53 0.00 0.00 54.79 54.21 1ujx n ASP 98 Cb 0.00 -0.86 -0.07 0.00 -0.64 0.00 0.00 41.12 39.56 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 -2.12 3.15 -0.37 2.53 1.01 -1.26 -2.76 120.40 120.58 1ujx s VAL 99 Ca 0.45 -1.76 0.02 0.00 0.00 0.00 0.00 61.98 60.69 1ujx s VAL 99 Cb -0.15 -2.94 0.15 0.00 0.00 0.00 0.00 36.38 33.44 1ujx s VAL 99 CO 0.76 -0.24 0.32 -0.22 0.00 0.00 0.00 175.10 175.72 1ujx s LEU 100 N -3.79 0.36 -0.58 3.92 2.96 -1.14 -0.21 118.68 120.20 1ujx s LEU 100 Ca 0.36 -1.89 -0.26 0.00 -0.22 0.00 0.00 54.13 52.11 1ujx s LEU 100 Cb -0.03 0.19 -0.04 0.00 0.50 0.00 0.00 46.19 46.81 1ujx s LEU 100 CO 0.22 -0.27 2.03 -0.31 -1.32 0.00 0.00 176.35 176.70 1ujx s TYR 101 N 1.21 1.48 0.12 5.38 2.02 -0.18 -3.44 117.35 123.94 1ujx s TYR 101 Ca 0.18 1.03 -0.22 0.00 -0.37 0.00 0.00 57.07 57.69 1ujx s TYR 101 Cb -0.17 -3.93 -0.05 0.00 -0.40 0.00 0.00 41.96 37.41 1ujx s TYR 101 CO -0.02 -2.36 1.12 1.28 -1.57 0.00 0.00 175.55 174.00 1ujx n LEU 102 N 13.80 -0.77 -3.82 -1.29 4.77 -0.91 -3.50 117.00 125.28 1ujx n LEU 102 Ca 0.26 1.29 -0.06 0.00 -0.03 0.00 0.00 56.01 57.48 1ujx n LEU 102 Cb 0.53 -0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 41.44 1ujx n LEU 102 CO 0.71 -1.05 0.59 0.54 -1.33 0.00 0.00 177.39 176.85 1ujx s VAL 103 N -5.34 0.00 -1.84 4.08 0.11 -1.24 -4.71 120.40 111.46 1ujx s VAL 103 Ca -0.09 -0.85 -0.22 0.00 -2.93 0.00 0.00 61.98 57.90 1ujx s VAL 103 Cb 0.08 -2.21 0.21 0.00 -1.53 0.00 0.00 36.38 32.93 1ujx s VAL 103 CO 0.45 0.00 0.60 -3.20 -3.33 0.00 0.00 175.10 169.62 1ujx n ASN 104 N -0.68 -1.94 -1.72 3.54 2.85 -1.26 0.19 115.26 116.24 1ujx n ASN 104 Ca -0.05 -1.21 -0.03 0.00 -0.11 0.00 0.00 54.58 53.18 1ujx n ASN 104 Cb 0.60 -1.81 -0.01 0.00 1.24 0.00 0.00 39.78 39.80 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 -1.20 -0.07 0.07 8.20 0.00 -1.26 -4.83 105.19 106.09 1ujx n GLY 105 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.08 0.99 4.77 0.49 -4.83 117.00 112.53 1ujx n LEU 106 Ca -0.03 -0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.48 1ujx n LEU 106 Cb 0.29 0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1ujx n LEU 106 CO 0.04 -0.04 -0.20 -1.22 -1.33 0.00 0.00 177.39 174.64 1ujx n TYR 107 N -0.09 -1.22 -1.52 -1.77 4.01 -1.26 -2.61 117.16 112.71 1ujx n TYR 107 Ca -0.00 0.13 -0.30 0.00 -0.16 0.00 0.00 57.90 57.56 1ujx n TYR 107 Cb 0.01 -2.50 0.20 0.00 -0.31 0.00 0.00 39.34 36.75 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 -7.24 -0.13 0.15 -0.72 0.04 -1.26 -2.15 135.00 123.69 1ujx s PRO 108 Ca 0.37 -0.19 -0.14 0.00 0.04 0.00 0.00 61.00 61.09 1ujx s PRO 108 Cb -0.21 -1.73 0.02 0.00 0.04 0.00 0.00 34.50 32.61 1ujx s PRO 108 CO 0.89 -2.97 0.39 -0.51 0.04 0.00 0.00 177.00 174.84 1ujx s LEU 109 N -6.37 0.55 -0.17 -3.56 1.02 -1.22 -4.53 118.68 104.40 1ujx s LEU 109 Ca 0.72 -0.56 0.01 0.00 0.02 0.00 0.00 54.13 54.32 1ujx s LEU 109 Cb -0.07 1.68 0.02 0.00 0.02 0.00 0.00 46.19 47.84 1ujx s LEU 109 CO 0.54 -0.92 -0.17 -0.89 0.02 0.00 0.00 176.35 174.94 1ujx s THR 110 N -3.88 1.86 -0.22 5.49 2.01 -1.12 -2.90 115.64 116.88 1ujx s THR 110 Ca 0.09 -0.87 -0.29 0.00 0.31 0.00 0.00 61.69 60.93 1ujx s THR 110 Cb 0.02 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.78 1ujx s THR 110 CO -0.06 0.45 1.40 -0.22 -0.69 0.00 0.00 174.62 175.51 1ujx s LEU 111 N 1.36 4.00 0.40 4.42 2.96 -1.11 0.76 118.68 131.47 1ujx s LEU 111 Ca 0.04 1.53 0.07 0.00 -0.22 0.00 0.00 54.13 55.55 1ujx s LEU 111 Cb -0.14 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.95 1ujx s LEU 111 CO -0.11 -1.03 0.06 -0.13 -1.32 0.00 0.00 176.35 173.82 1ujx s ARG 112 N 4.10 2.04 -0.09 1.98 1.81 0.13 -1.08 118.95 127.84 1ujx s ARG 112 Ca 0.61 -2.00 -0.04 0.00 -1.72 0.00 0.00 55.73 52.58 1ujx s ARG 112 Cb -0.21 -1.77 0.05 0.00 -0.45 0.00 0.00 34.95 32.56 1ujx s ARG 112 CO 0.23 -0.05 0.19 -0.46 -0.68 0.00 0.00 175.30 174.53 1ujx s TRP 113 N -2.66 -0.25 0.48 -0.53 -0.11 -1.26 -1.80 118.94 112.81 1ujx s TRP 113 Ca 0.37 0.66 -0.21 0.00 1.22 0.00 0.00 56.10 58.14 1ujx s TRP 113 Cb 0.07 -0.06 -0.08 0.00 -1.50 0.00 0.00 33.47 31.90 1ujx s TRP 113 CO 0.19 -0.22 1.06 0.45 -4.62 0.00 0.00 176.95 173.81 1ujx s SER 114 N 1.48 6.28 0.37 5.86 0.15 0.49 -4.86 113.70 123.46 1ujx s SER 114 Ca -0.07 2.00 -0.14 0.00 0.70 0.00 0.00 55.95 58.45 1ujx s SER 114 Cb -0.11 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.67 1ujx s SER 114 CO -0.07 -0.83 0.73 -0.83 1.20 0.00 0.00 173.24 173.44 1ujx s GLY 115 N -1.87 0.52 -0.28 9.45 0.00 -1.26 -3.47 107.32 110.41 1ujx s GLY 115 Ca 0.67 -0.84 -0.29 0.00 0.00 0.00 0.00 44.72 44.26 1ujx s GLY 115 CO 0.23 -0.41 1.34 2.56 0.00 0.00 0.00 173.10 176.82 1ujx s PRO 116 N -2.59 3.92 0.14 2.90 0.04 -1.26 -4.50 135.00 133.64 1ujx s PRO 116 Ca 0.18 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1ujx s PRO 116 Cb -0.04 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1ujx s PRO 116 CO 0.12 -1.12 0.00 0.43 0.04 0.00 0.00 177.00 176.47 1ujx n SER 117 N 7.68 -1.23 -3.08 6.66 7.64 -1.26 -5.11 113.62 124.91 1ujx n SER 117 Ca 0.15 0.36 -0.00 0.00 1.01 0.00 0.00 58.87 60.39 1ujx n SER 117 Cb 0.46 1.39 -0.00 0.00 -1.01 0.00 0.00 64.21 65.05 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 -2.65 -6.73 0.00 6.43 2.88 -1.26 -5.35 113.62 106.94 1ujx n SER 118 Ca 0.00 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 1ujx n SER 118 Cb 0.00 -2.26 0.00 0.00 -0.75 0.00 0.00 64.21 61.20 1ujx n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42