#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 -2.91 -0.00 1.61 3.41 -1.26 -4.99 113.62 109.48 1ujx n SER 2 Ca 0.00 0.01 -0.04 0.00 -0.26 0.00 0.00 58.87 58.58 1ujx n SER 2 Cb 0.00 -0.84 -0.01 0.00 -0.26 0.00 0.00 64.21 63.09 1ujx n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ujx n SER 3 N 0.41 1.32 0.00 4.04 2.88 -1.26 -5.16 113.62 115.86 1ujx n SER 3 Ca 0.00 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1ujx n SER 3 Cb 0.64 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 1ujx n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujx n GLY 4 N 2.77 -0.58 3.13 0.46 0.00 -1.26 -5.15 105.19 104.54 1ujx n GLY 4 Ca -0.06 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 1ujx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ujx s SER 5 N -4.00 -0.19 -0.27 1.61 0.15 -1.26 -5.14 113.70 104.60 1ujx s SER 5 Ca 0.00 0.32 -0.06 0.00 0.70 0.00 0.00 55.95 56.91 1ujx s SER 5 Cb 0.00 0.41 -0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1ujx s SER 5 CO 0.00 -0.17 0.05 -0.55 1.20 0.00 0.00 173.24 173.77 1ujx s SER 6 N -0.28 4.92 0.00 5.45 0.15 -1.26 -4.99 113.70 117.68 1ujx s SER 6 Ca -0.04 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1ujx s SER 6 Cb -0.03 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 1ujx s SER 6 CO 0.01 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1ujx n GLY 7 N 4.85 4.41 3.42 9.45 0.00 -1.26 -5.06 105.19 121.01 1ujx n GLY 7 Ca -0.16 -0.82 -0.57 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.52 0.57 -3.76 1.61 0.00 -1.26 -4.90 117.12 108.86 1ujx n MET 8 Ca 0.00 0.17 -0.13 0.00 0.00 0.00 0.00 57.70 57.74 1ujx n MET 8 Cb 0.00 -1.95 -0.10 0.00 0.00 0.00 0.00 33.22 31.17 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 5.96 -0.28 -0.30 7.83 0.15 -1.26 -5.15 113.70 120.65 1ujx s SER 9 Ca 1.12 0.43 -0.16 0.00 0.70 0.00 0.00 55.95 58.04 1ujx s SER 9 Cb -1.19 0.53 0.20 0.00 -1.71 0.00 0.00 66.02 63.85 1ujx s SER 9 CO 0.61 -0.24 1.21 0.00 1.20 0.00 0.00 173.24 176.02 1ujx s GLN 10 N -0.39 0.11 0.33 5.44 -2.07 -1.26 -5.18 119.66 116.64 1ujx s GLN 10 Ca -0.05 0.18 0.07 0.00 -1.82 0.00 0.00 55.36 53.74 1ujx s GLN 10 Cb -0.03 0.02 -0.02 0.00 -1.09 0.00 0.00 33.01 31.88 1ujx s GLN 10 CO 0.02 -0.02 0.32 -0.51 -1.32 0.00 0.00 175.29 173.78 1ujx s LEU 11 N 1.11 3.69 0.00 2.60 1.02 -1.26 -5.13 118.68 120.70 1ujx s LEU 11 Ca -0.08 -0.42 0.00 0.00 0.02 0.00 0.00 54.13 53.65 1ujx s LEU 11 Cb -0.02 -2.32 0.00 0.00 0.02 0.00 0.00 46.19 43.86 1ujx s LEU 11 CO -0.11 -0.35 0.00 0.61 0.02 0.00 0.00 176.35 176.53 1ujx n GLY 12 N -1.41 2.02 3.09 -3.19 0.00 -1.26 -5.16 105.19 99.28 1ujx n GLY 12 Ca -0.02 -0.57 -0.08 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.04 0.30 0.28 1.61 0.01 -1.26 -5.17 113.70 109.42 1ujx s SER 13 Ca 0.00 -0.71 0.11 0.00 1.31 0.00 0.00 55.95 56.67 1ujx s SER 13 Cb 0.00 0.21 -0.05 0.00 0.21 0.00 0.00 66.02 66.39 1ujx s SER 13 CO 0.00 -0.53 -0.19 -0.13 0.41 0.00 0.00 173.24 172.80 1ujx s ARG 14 N -3.02 1.66 1.18 12.44 0.52 -1.26 -5.13 118.95 125.34 1ujx s ARG 14 Ca -0.01 -1.77 -0.18 0.00 -0.52 0.00 0.00 55.73 53.25 1ujx s ARG 14 Cb 0.01 -1.70 0.23 0.00 0.52 0.00 0.00 34.95 34.01 1ujx s ARG 14 CO -0.07 0.30 0.47 0.41 0.02 0.00 0.00 175.30 176.44 1ujx n GLY 15 N -0.61 -2.83 2.76 -3.53 0.00 -1.26 -5.04 105.19 94.68 1ujx n GLY 15 Ca -0.05 -1.09 -0.16 0.00 0.00 0.00 0.00 46.02 44.72 1ujx n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ujx s ARG 16 N -3.99 -0.04 0.17 1.61 1.81 -1.25 -4.90 118.95 112.36 1ujx s ARG 16 Ca 0.53 0.24 -0.28 0.00 -1.72 0.00 0.00 55.73 54.50 1ujx s ARG 16 Cb -0.11 -0.29 -0.08 0.00 -0.45 0.00 0.00 34.95 34.02 1ujx s ARG 16 CO 0.51 -0.20 0.86 -0.51 -0.68 0.00 0.00 175.30 175.28 1ujx s LEU 17 N 1.27 4.58 0.16 2.53 1.43 -1.26 -1.32 118.68 126.08 1ujx s LEU 17 Ca -0.07 1.74 -0.23 0.00 -1.03 0.00 0.00 54.13 54.55 1ujx s LEU 17 Cb -0.13 -3.44 0.07 0.00 0.03 0.00 0.00 46.19 42.73 1ujx s LEU 17 CO -0.03 0.13 0.60 -1.66 0.23 0.00 0.00 176.35 175.61 1ujx s TRP 18 N -0.84 -0.53 0.05 0.29 1.48 -0.67 -1.83 118.94 116.88 1ujx s TRP 18 Ca 0.40 0.32 -0.03 0.00 -1.06 0.00 0.00 56.10 55.73 1ujx s TRP 18 Cb -0.24 0.56 -0.04 0.00 -1.16 0.00 0.00 33.47 32.59 1ujx s TRP 18 CO 0.28 -0.85 0.24 -0.51 -4.06 0.00 0.00 176.95 172.05 1ujx s LEU 19 N -2.75 4.35 -0.31 -4.66 2.01 -1.10 0.60 118.68 116.81 1ujx s LEU 19 Ca 0.01 0.39 -0.03 0.00 0.01 0.00 0.00 54.13 54.52 1ujx s LEU 19 Cb -0.01 -2.88 0.05 0.00 0.01 0.00 0.00 46.19 43.36 1ujx s LEU 19 CO -0.13 0.19 0.03 -1.58 1.01 0.00 0.00 176.35 175.87 1ujx s GLN 20 N -2.25 2.45 0.31 1.70 0.74 0.79 -3.75 119.66 119.65 1ujx s GLN 20 Ca 0.33 -1.27 -0.17 0.00 0.05 0.00 0.00 55.36 54.29 1ujx s GLN 20 Cb -0.13 -3.26 -0.09 0.00 1.10 0.00 0.00 33.01 30.63 1ujx s GLN 20 CO 0.23 -0.65 0.77 -1.54 -0.55 0.00 0.00 175.29 173.55 1ujx s SER 21 N 1.31 6.90 0.90 6.67 1.04 -1.26 -3.63 113.70 125.62 1ujx s SER 21 Ca -0.04 1.39 -0.12 0.00 0.48 0.00 0.00 55.95 57.66 1ujx s SER 21 Cb -0.20 -2.42 0.13 0.00 0.10 0.00 0.00 66.02 63.64 1ujx s SER 21 CO -0.00 -0.16 1.13 -2.16 0.98 0.00 0.00 173.24 173.03 1ujx s PRO 22 N -2.70 1.25 0.49 4.02 0.04 -1.26 -4.89 135.00 131.94 1ujx s PRO 22 Ca 0.52 0.33 -0.20 0.00 0.04 0.00 0.00 61.00 61.69 1ujx s PRO 22 Cb -0.12 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.44 1ujx s PRO 22 CO 0.18 -2.13 0.28 -2.37 0.04 0.00 0.00 177.00 173.01 1ujx n THR 23 N -3.72 1.25 -3.34 1.26 5.66 -1.26 -2.56 114.28 111.57 1ujx n THR 23 Ca 0.07 -0.50 -0.17 0.00 -3.05 0.00 0.00 64.05 60.39 1ujx n THR 23 Cb 0.59 -0.35 0.08 0.00 -1.55 0.00 0.00 70.33 69.09 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 2.07 -0.30 2.46 1.09 0.00 -1.26 -5.01 105.19 104.23 1ujx n GLY 24 Ca 0.11 0.08 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.40 2.99 3.78 -0.02 0.00 -1.06 -5.13 105.19 104.34 1ujx n GLY 25 Ca -0.15 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.93 0.53 0.98 1.61 0.04 -1.26 -5.02 135.00 128.96 1ujx s PRO 26 Ca 0.28 0.06 -0.15 0.00 0.04 0.00 0.00 61.00 61.23 1ujx s PRO 26 Cb 0.01 -1.79 0.18 0.00 0.04 0.00 0.00 34.50 32.94 1ujx s PRO 26 CO 0.20 -2.57 1.17 -1.25 0.04 0.00 0.00 177.00 174.60 1ujx s PRO 27 N -5.44 0.54 -0.33 0.56 0.04 -1.26 -4.55 135.00 124.55 1ujx s PRO 27 Ca 0.68 0.06 -0.29 0.00 0.04 0.00 0.00 61.00 61.49 1ujx s PRO 27 Cb -0.11 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1ujx s PRO 27 CO 0.54 -2.56 1.37 -1.25 0.04 0.00 0.00 177.00 175.13 1ujx s PRO 28 N -5.44 3.79 0.09 0.56 0.04 -1.26 -4.78 135.00 127.99 1ujx s PRO 28 Ca 0.67 1.18 -0.30 0.00 0.04 0.00 0.00 61.00 62.60 1ujx s PRO 28 Cb -0.11 -3.94 -0.05 0.00 0.04 0.00 0.00 34.50 30.43 1ujx s PRO 28 CO 0.54 -1.28 1.03 0.42 0.04 0.00 0.00 177.00 177.75 1ujx s ILE 29 N 4.80 4.39 -0.52 0.56 1.09 -1.25 -4.87 121.20 125.40 1ujx s ILE 29 Ca 0.59 1.88 -0.17 0.00 -1.10 0.00 0.00 60.65 61.85 1ujx s ILE 29 Cb -0.16 -4.20 0.10 0.00 -1.06 0.00 0.00 42.46 37.13 1ujx s ILE 29 CO 0.27 0.24 0.52 -0.36 -0.10 0.00 0.00 174.94 175.51 1ujx s PHE 30 N 0.37 3.17 0.90 3.97 0.40 -1.26 -2.70 117.98 122.83 1ujx s PHE 30 Ca 0.51 -1.00 -0.11 0.00 -0.60 0.00 0.00 56.93 55.72 1ujx s PHE 30 Cb -0.25 -3.60 0.12 0.00 0.51 0.00 0.00 43.02 39.80 1ujx s PHE 30 CO 0.30 -1.00 1.04 1.28 0.70 0.00 0.00 175.22 177.54 1ujx n LEU 31 N 5.57 2.94 -4.80 -0.37 4.77 -0.76 -4.96 117.00 119.38 1ujx n LEU 31 Ca -0.12 0.43 -0.33 0.00 -0.03 0.00 0.00 56.01 55.97 1ujx n LEU 31 Cb 0.42 -1.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.06 1ujx n LEU 31 CO 0.53 -2.32 0.71 -2.16 -1.33 0.00 0.00 177.39 172.82 1ujx s PRO 32 N -4.38 3.58 -0.20 3.23 0.04 -1.26 -4.74 135.00 131.27 1ujx s PRO 32 Ca 0.66 1.25 0.07 0.00 0.04 0.00 0.00 61.00 63.02 1ujx s PRO 32 Cb -0.24 -2.07 -0.21 0.00 0.04 0.00 0.00 34.50 32.02 1ujx s PRO 32 CO 0.58 -0.60 0.04 -1.13 0.04 0.00 0.00 177.00 175.93 1ujx n SER 33 N -1.54 1.25 -0.25 6.66 3.41 -1.26 -4.17 113.62 117.71 1ujx n SER 33 Ca 0.09 0.01 0.32 0.00 -0.26 0.00 0.00 58.87 59.03 1ujx n SER 33 Cb 0.53 0.02 0.66 0.00 -0.26 0.00 0.00 64.21 65.16 1ujx n SER 33 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1ujx h ASP 34 N 0.01 0.00 0.00 4.04 3.58 -1.94 -3.43 116.42 118.68 1ujx h ASP 34 Ca -0.52 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.93 1ujx h ASP 34 Cb 2.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.09 1ujx h ASP 34 CO -0.01 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.96 1ujx n GLY 35 N -1.71 1.04 3.17 -0.78 0.00 -1.26 -5.11 105.19 100.54 1ujx n GLY 35 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 1ujx n GLY 35 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ujx n GLN 36 N -0.32 -1.72 -4.39 1.61 6.02 -1.26 -4.73 117.38 112.59 1ujx n GLN 36 Ca 0.00 -0.50 -0.32 0.00 -0.01 0.00 0.00 57.00 56.17 1ujx n GLN 36 Cb 0.00 -1.57 -0.16 0.00 1.02 0.00 0.00 30.24 29.53 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 -2.16 2.19 -0.44 -1.58 0.00 -1.26 -4.11 121.76 114.39 1ujx s ALA 37 Ca 0.49 -1.08 -0.18 0.00 0.00 0.00 0.00 51.96 51.18 1ujx s ALA 37 Cb -0.08 -1.05 0.03 0.00 0.00 0.00 0.00 23.12 22.02 1ujx s ALA 37 CO 0.57 -0.18 0.50 -1.17 0.00 0.00 0.00 175.76 175.47 1ujx s LEU 38 N 1.07 4.87 0.17 0.00 2.96 0.24 -4.87 118.68 123.12 1ujx s LEU 38 Ca -0.02 -0.70 -0.30 0.00 -0.22 0.00 0.00 54.13 52.89 1ujx s LEU 38 Cb -0.14 -2.44 -0.08 0.00 0.50 0.00 0.00 46.19 44.03 1ujx s LEU 38 CO -0.07 -0.67 1.25 -0.69 -1.32 0.00 0.00 176.35 174.86 1ujx s VAL 39 N 2.29 3.49 0.37 1.68 1.01 -1.26 -2.27 120.40 125.72 1ujx s VAL 39 Ca 0.14 1.20 0.08 0.00 0.00 0.00 0.00 61.98 63.39 1ujx s VAL 39 Cb -0.17 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1ujx s VAL 39 CO 0.14 0.17 0.16 -0.76 0.00 0.00 0.00 175.10 174.80 1ujx s LEU 40 N 0.10 3.18 0.00 3.92 1.43 -1.10 -4.97 118.68 121.24 1ujx s LEU 40 Ca 0.56 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1ujx s LEU 40 Cb -0.34 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.28 1ujx s LEU 40 CO 0.36 -0.41 0.00 0.61 0.23 0.00 0.00 176.35 177.14 1ujx n GLY 41 N -1.19 0.34 3.60 -3.19 0.00 -1.25 -1.98 105.19 101.52 1ujx n GLY 41 Ca -0.02 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.15 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 0.76 0.00 1.61 1.74 -1.24 -4.30 116.66 115.23 1ujx n ARG 42 Ca 0.00 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 1ujx n ARG 42 Cb 0.00 -2.15 0.00 0.00 -1.02 0.00 0.00 32.46 29.29 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 1.30 0.86 0.00 -0.13 0.00 -0.35 -4.68 105.19 102.19 1ujx n GLY 43 Ca 0.14 -2.20 0.11 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.13 0.49 0.46 1.61 -0.04 -1.26 -1.57 135.00 133.56 1ujx n PRO 44 Ca 0.00 0.04 -0.18 0.00 -0.04 0.00 0.00 63.50 63.32 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 -1.02 -2.36 1.53 -0.00 -1.86 -3.27 115.31 108.33 1ujx h LEU 45 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1ujx h LEU 45 Cb 0.13 0.27 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 1ujx h LEU 45 CO 0.00 -0.72 0.00 0.35 -0.00 0.00 0.00 178.44 178.07 1ujx n THR 46 N -5.21 0.63 -2.05 0.22 -2.24 -1.24 -4.80 114.28 99.59 1ujx n THR 46 Ca -0.15 -0.81 -0.18 0.00 -2.27 0.00 0.00 64.05 60.64 1ujx n THR 46 Cb 0.47 0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 69.45 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 0.71 -1.36 -3.35 -0.78 1.13 -0.61 -4.69 117.38 108.45 1ujx n GLN 47 Ca 0.11 0.95 -0.38 0.00 -1.94 0.00 0.00 57.00 55.75 1ujx n GLN 47 Cb 0.41 -5.36 -0.06 0.00 0.11 0.00 0.00 30.24 25.34 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 -2.81 5.20 -0.12 5.09 1.01 -1.01 -4.92 120.40 122.85 1ujx s VAL 48 Ca 0.00 0.88 0.02 0.00 0.00 0.00 0.00 61.98 62.88 1ujx s VAL 48 Cb 0.00 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1ujx s VAL 48 CO 0.00 0.32 0.13 0.35 0.00 0.00 0.00 175.10 175.90 1ujx n THR 49 N 3.78 0.00 -1.36 3.92 -2.24 -1.26 -1.22 114.28 115.91 1ujx n THR 49 Ca -0.08 -0.46 -0.37 0.00 -2.27 0.00 0.00 64.05 60.88 1ujx n THR 49 Cb 0.51 1.00 0.06 0.00 -2.10 0.00 0.00 70.33 69.81 1ujx n THR 49 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ujx n ASP 50 N -0.94 -0.78 0.09 3.42 2.03 -1.26 -4.90 116.55 114.20 1ujx n ASP 50 Ca 0.00 0.66 -0.13 0.00 0.52 0.00 0.00 54.79 55.84 1ujx n ASP 50 Cb 0.03 -1.24 -0.13 0.00 -0.72 0.00 0.00 41.12 39.06 1ujx n ASP 50 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1ujx h ARG 51 N -0.12 0.19 0.00 -0.67 3.08 -2.05 -3.11 114.38 111.70 1ujx h ARG 51 Ca -0.46 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.26 1ujx h ARG 51 Cb 1.36 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.53 1ujx h ARG 51 CO 0.45 1.14 0.00 0.87 -1.07 0.00 0.00 179.97 181.36 1ujx h LYS 52 N 0.05 0.00 -5.77 0.04 1.79 -2.03 -3.39 116.57 107.26 1ujx h LYS 52 Ca -0.11 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.78 1ujx h LYS 52 Cb 1.92 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 32.49 1ujx h LYS 52 CO 0.18 0.00 0.09 0.00 -1.08 0.00 0.00 179.45 178.64 1ujx s SER 54 N 1.02 5.38 0.43 0.00 0.15 -1.26 -4.33 113.70 115.08 1ujx s SER 54 Ca 0.31 0.13 0.32 0.00 0.70 0.00 0.00 55.95 57.41 1ujx s SER 54 Cb -0.16 -1.67 1.43 0.00 -1.71 0.00 0.00 66.02 63.92 1ujx s SER 54 CO 0.12 0.32 1.48 -1.14 1.20 0.00 0.00 173.24 175.22 1ujx n ARG 55 N 2.55 -0.03 -2.94 5.44 0.63 -1.26 0.52 116.66 121.56 1ujx n ARG 55 Ca -0.18 1.18 -0.24 0.00 -0.92 0.00 0.00 57.85 57.69 1ujx n ARG 55 Cb 0.53 -2.35 -0.03 0.00 0.45 0.00 0.00 32.46 31.06 1ujx n ARG 55 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ujx n ASN 56 N -4.57 3.50 0.04 6.15 3.02 -1.24 -3.90 115.26 118.26 1ujx n ASN 56 Ca 0.39 -3.49 -0.12 0.00 -0.03 0.00 0.00 54.58 51.33 1ujx n ASN 56 Cb 1.52 -0.56 -0.08 0.00 -0.61 0.00 0.00 39.78 40.05 1ujx n ASN 56 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1ujx h GLN 57 N 2.94 -0.03 -4.64 3.52 5.75 0.72 -3.01 115.11 120.36 1ujx h GLN 57 Ca 0.13 0.00 -0.27 0.00 -0.15 0.00 0.00 58.65 58.36 1ujx h GLN 57 Cb 0.69 0.01 -0.15 0.00 1.07 0.00 0.00 27.48 29.09 1ujx h GLN 57 CO 0.73 0.07 -0.60 0.14 -2.65 0.00 0.00 178.83 176.52 1ujx s VAL 58 N -5.81 0.02 -0.26 2.39 -7.23 -1.25 -0.25 120.40 108.02 1ujx s VAL 58 Ca -0.14 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.06 1ujx s VAL 58 Cb 0.05 -2.51 0.06 0.00 0.56 0.00 0.00 36.38 34.55 1ujx s VAL 58 CO 0.66 0.00 -0.08 -0.70 -0.31 0.00 0.00 175.10 174.67 1ujx s GLU 59 N -4.07 1.95 0.02 4.82 2.12 0.34 -2.70 118.70 121.19 1ujx s GLU 59 Ca 0.39 -1.26 -0.14 0.00 0.36 0.00 0.00 54.97 54.32 1ujx s GLU 59 Cb 0.06 -2.79 -0.06 0.00 0.26 0.00 0.00 34.13 31.60 1ujx s GLU 59 CO 0.14 -0.61 0.42 -0.51 -0.54 0.00 0.00 175.26 174.16 1ujx s LEU 60 N 1.20 4.46 -0.04 2.70 1.02 -0.96 -1.96 118.68 125.09 1ujx s LEU 60 Ca -0.06 0.96 -0.02 0.00 0.02 0.00 0.00 54.13 55.03 1ujx s LEU 60 Cb -0.19 -2.69 0.03 0.00 0.02 0.00 0.00 46.19 43.36 1ujx s LEU 60 CO -0.06 0.29 0.05 -0.63 0.02 0.00 0.00 176.35 176.02 1ujx s ILE 61 N -1.14 -0.04 -0.15 -0.59 1.01 -0.98 0.82 121.20 120.13 1ujx s ILE 61 Ca 0.26 0.36 -0.29 0.00 0.00 0.00 0.00 60.65 60.97 1ujx s ILE 61 Cb -0.16 -0.19 -0.02 0.00 0.01 0.00 0.00 42.46 42.10 1ujx s ILE 61 CO 0.15 0.18 1.22 0.00 0.00 0.00 0.00 174.94 176.49 1ujx s ALA 62 N 1.99 3.62 -0.59 9.38 0.00 -1.26 -2.21 121.76 132.69 1ujx s ALA 62 Ca 0.03 0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.50 1ujx s ALA 62 Cb -0.12 -3.59 0.15 0.00 0.00 0.00 0.00 23.12 19.56 1ujx s ALA 62 CO -0.03 -1.06 0.35 -0.51 0.00 0.00 0.00 175.76 174.51 1ujx s ASP 63 N 1.78 4.52 0.00 0.00 1.11 0.65 -4.55 116.67 120.17 1ujx s ASP 63 Ca 0.54 -3.35 0.23 0.00 0.18 0.00 0.00 52.55 50.15 1ujx s ASP 63 Cb -0.22 -1.64 1.38 0.00 1.07 0.00 0.00 42.92 43.52 1ujx s ASP 63 CO 0.16 -0.17 1.76 -0.81 1.18 0.00 0.00 175.17 177.28 1ujx n PRO 64 N 2.65 0.75 -0.17 8.23 -0.04 -1.26 -0.23 135.00 144.93 1ujx n PRO 64 Ca 0.11 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.48 1ujx n PRO 64 Cb 0.33 -1.48 0.01 0.00 -0.04 0.00 0.00 33.50 32.32 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 0.76 0.00 0.54 5.08 -1.91 -3.32 114.58 115.73 1ujx h GLU 65 Ca 0.00 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.08 1ujx h GLU 65 Cb 0.00 -0.11 -0.23 0.00 0.50 0.00 0.00 28.75 28.91 1ujx h GLU 65 CO 0.00 0.72 -0.80 0.43 -1.00 0.00 0.00 179.01 178.36 1ujx n SER 66 N -4.50 0.86 -3.59 1.42 7.64 -1.20 -5.00 113.62 109.24 1ujx n SER 66 Ca 0.01 -2.22 -0.25 0.00 1.01 0.00 0.00 58.87 57.42 1ujx n SER 66 Cb 0.20 -0.30 0.05 0.00 -1.01 0.00 0.00 64.21 63.15 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 0.14 -2.54 -4.33 1.43 5.12 -0.82 -5.00 116.66 110.66 1ujx n ARG 67 Ca 0.06 0.60 -0.19 0.00 -1.93 0.00 0.00 57.85 56.39 1ujx n ARG 67 Cb 0.97 -4.84 -0.09 0.00 -1.16 0.00 0.00 32.46 27.34 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 -3.52 0.22 -0.16 0.55 -4.23 0.68 -3.90 115.64 105.28 1ujx s THR 68 Ca 0.33 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.71 1ujx s THR 68 Cb -0.09 -2.48 0.04 0.00 1.34 0.00 0.00 72.50 71.31 1ujx s THR 68 CO 0.82 0.00 0.41 -0.69 -0.54 0.00 0.00 174.62 174.62 1ujx s VAL 69 N -3.56 -0.01 0.12 2.29 1.01 -0.68 -0.26 120.40 119.33 1ujx s VAL 69 Ca 0.36 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 1ujx s VAL 69 Cb 0.04 -0.58 -0.06 0.00 0.00 0.00 0.00 36.38 35.78 1ujx s VAL 69 CO 0.20 0.01 0.46 0.00 0.00 0.00 0.00 175.10 175.77 1ujx s ALA 70 N 0.46 3.67 -0.27 5.51 0.00 -0.94 0.15 121.76 130.34 1ujx s ALA 70 Ca -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 1ujx s ALA 70 Cb -0.04 -2.35 0.08 0.00 0.00 0.00 0.00 23.12 20.81 1ujx s ALA 70 CO -0.02 0.54 0.07 0.08 0.00 0.00 0.00 175.76 176.42 1ujx s VAL 71 N -1.49 0.78 -0.22 0.00 1.01 0.77 -2.33 120.40 118.92 1ujx s VAL 71 Ca 0.37 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 1ujx s VAL 71 Cb -0.14 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1ujx s VAL 71 CO 0.19 -0.48 -0.00 -0.75 0.00 0.00 0.00 175.10 174.06 1ujx s LYS 72 N 1.70 3.52 -0.30 2.72 2.20 -0.83 -0.18 119.74 128.57 1ujx s LYS 72 Ca 0.05 -0.56 -0.29 0.00 -0.36 0.00 0.00 55.97 54.81 1ujx s LYS 72 Cb -0.17 -3.12 0.01 0.00 -1.51 0.00 0.00 37.83 33.04 1ujx s LYS 72 CO -0.19 -0.14 1.19 -1.14 -0.36 0.00 0.00 175.35 174.71 1ujx s GLN 73 N 1.40 4.02 0.00 4.03 0.74 -0.86 0.13 119.66 129.11 1ujx s GLN 73 Ca 0.05 1.21 0.12 0.00 0.05 0.00 0.00 55.36 56.78 1ujx s GLN 73 Cb -0.15 -3.80 -0.05 0.00 1.10 0.00 0.00 33.01 30.11 1ujx s GLN 73 CO 0.00 -0.98 0.62 1.28 -0.55 0.00 0.00 175.29 175.67 1ujx n LEU 74 N 7.17 1.04 0.00 3.68 4.77 0.33 -2.17 117.00 131.82 1ujx n LEU 74 Ca 0.13 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 1ujx n LEU 74 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1ujx n LEU 74 CO 0.61 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1ujx n GLY 75 N 1.09 1.25 0.57 -0.72 0.00 0.66 -4.86 105.19 103.19 1ujx n GLY 75 Ca 0.04 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 -1.96 1.61 3.14 -1.26 -4.72 118.33 115.14 1ujx n VAL 76 Ca 0.00 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.98 1ujx n VAL 76 Cb 0.00 -0.69 -0.00 0.00 -1.06 0.00 0.00 33.84 32.08 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 -4.24 6.35 -0.06 6.55 0.01 -1.26 -4.39 114.94 117.90 1ujx s ASN 77 Ca 0.00 2.81 -0.30 0.00 -0.71 0.00 0.00 52.86 54.66 1ujx s ASN 77 Cb 0.00 -2.65 -0.03 0.00 0.41 0.00 0.00 41.25 38.98 1ujx s ASN 77 CO 0.00 -0.84 1.22 -2.16 -1.51 0.00 0.00 177.10 173.82 1ujx s PRO 78 N -2.13 4.34 0.29 -0.60 0.04 -1.26 -4.76 135.00 130.91 1ujx s PRO 78 Ca 0.55 1.70 0.02 0.00 0.04 0.00 0.00 61.00 63.30 1ujx s PRO 78 Cb -0.42 -3.57 -0.03 0.00 0.04 0.00 0.00 34.50 30.52 1ujx s PRO 78 CO 0.55 -0.48 0.47 -1.12 0.04 0.00 0.00 177.00 176.45 1ujx s SER 79 N 1.56 6.32 -0.21 6.66 0.01 -1.26 -4.66 113.70 122.12 1ujx s SER 79 Ca 0.56 0.33 -0.00 0.00 1.31 0.00 0.00 55.95 58.15 1ujx s SER 79 Cb -0.25 -1.98 0.02 0.00 0.21 0.00 0.00 66.02 64.02 1ujx s SER 79 CO 0.22 -0.18 -0.13 -0.89 0.41 0.00 0.00 173.24 172.66 1ujx s THR 80 N -2.14 2.51 -1.11 1.44 2.01 -1.23 0.20 115.64 117.32 1ujx s THR 80 Ca 0.38 -0.90 -0.07 0.00 0.31 0.00 0.00 61.69 61.40 1ujx s THR 80 Cb -0.10 -2.15 0.29 0.00 0.01 0.00 0.00 72.50 70.55 1ujx s THR 80 CO 0.33 0.41 1.31 0.52 -0.69 0.00 0.00 174.62 176.49 1ujx n VAL 81 N 4.66 4.89 0.00 3.82 0.31 -0.27 -1.69 118.33 130.04 1ujx n VAL 81 Ca -0.19 -5.58 0.00 0.00 -0.01 0.00 0.00 64.34 58.56 1ujx n VAL 81 Cb 0.49 -2.36 0.00 0.00 -0.91 0.00 0.00 33.84 31.06 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 2.15 0.76 0.25 2.92 0.00 0.22 -3.93 105.19 107.56 1ujx n GLY 82 Ca 0.26 -0.71 0.05 0.00 0.00 0.00 0.00 46.02 45.62 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 0.94 -4.76 1.61 3.14 -1.26 -4.78 118.33 113.22 1ujx n VAL 83 Ca 0.00 -1.12 -0.26 0.00 -2.96 0.00 0.00 64.34 60.00 1ujx n VAL 83 Cb 0.00 0.17 -0.15 0.00 -1.06 0.00 0.00 33.84 32.80 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 -1.41 1.46 -0.08 1.45 0.74 -1.25 -5.13 119.66 115.44 1ujx s GLN 84 Ca 0.15 -0.83 -0.17 0.00 0.05 0.00 0.00 55.36 54.56 1ujx s GLN 84 Cb 0.13 -1.50 -0.05 0.00 1.10 0.00 0.00 33.01 32.70 1ujx s GLN 84 CO 0.01 0.39 0.47 -2.00 -0.55 0.00 0.00 175.29 173.62 1ujx s GLU 85 N -0.87 4.24 0.17 1.67 2.12 -1.26 -1.12 118.70 123.65 1ujx s GLU 85 Ca 0.07 0.46 0.01 0.00 0.36 0.00 0.00 54.97 55.87 1ujx s GLU 85 Cb -0.08 -3.37 0.03 0.00 0.26 0.00 0.00 34.13 30.97 1ujx s GLU 85 CO 0.01 0.32 0.24 1.28 -0.54 0.00 0.00 175.26 176.56 1ujx n LEU 86 N 3.10 0.00 -4.12 2.70 4.77 0.53 -4.95 117.00 119.03 1ujx n LEU 86 Ca -0.09 -0.59 -0.11 0.00 -0.03 0.00 0.00 56.01 55.20 1ujx n LEU 86 Cb 0.52 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.38 1ujx n LEU 86 CO 0.42 -0.60 -0.11 -0.54 -1.33 0.00 0.00 177.39 175.23 1ujx s LYS 87 N -2.94 1.28 -0.77 3.23 1.02 -1.26 -4.29 119.74 116.01 1ujx s LYS 87 Ca 0.17 -1.48 -0.26 0.00 0.02 0.00 0.00 55.97 54.42 1ujx s LYS 87 Cb -0.01 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.63 1ujx s LYS 87 CO 0.11 -0.45 1.61 -1.25 -0.92 0.00 0.00 175.35 174.45 1ujx s PRO 88 N -4.10 2.96 0.00 -1.68 0.04 -1.26 -1.99 135.00 128.98 1ujx s PRO 88 Ca 0.32 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.25 1ujx s PRO 88 Cb 0.05 -4.59 0.00 0.00 0.04 0.00 0.00 34.50 30.00 1ujx s PRO 88 CO 0.10 -2.55 0.00 0.41 0.04 0.00 0.00 177.00 174.99 1ujx n GLY 89 N 5.98 1.10 3.98 0.56 0.00 -0.92 -5.05 105.19 110.84 1ujx n GLY 89 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1ujx n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ujx s LEU 90 N 0.00 2.91 -0.21 0.99 2.96 -0.84 -4.89 118.68 119.60 1ujx s LEU 90 Ca 0.00 -0.30 -0.15 0.00 -0.22 0.00 0.00 54.13 53.46 1ujx s LEU 90 Cb 0.00 -1.92 0.06 0.00 0.50 0.00 0.00 46.19 44.83 1ujx s LEU 90 CO 0.00 -2.11 0.53 -0.44 -1.32 0.00 0.00 176.35 173.01 1ujx s SER 91 N -4.80 -0.64 0.00 3.68 0.01 -1.26 -2.03 113.70 108.66 1ujx s SER 91 Ca 0.69 1.12 0.00 0.00 1.31 0.00 0.00 55.95 59.07 1ujx s SER 91 Cb -0.04 1.05 0.00 0.00 0.21 0.00 0.00 66.02 67.24 1ujx s SER 91 CO 0.47 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.52 1ujx n GLY 92 N 3.72 4.29 3.11 3.44 0.00 0.74 -4.95 105.19 115.54 1ujx n GLY 92 Ca -0.19 -1.75 -0.13 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.74 1.10 -0.09 1.61 0.01 -1.26 -0.16 113.70 114.17 1ujx s SER 93 Ca 0.00 -0.67 0.04 0.00 1.31 0.00 0.00 55.95 56.63 1ujx s SER 93 Cb 0.00 0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.26 1ujx s SER 93 CO 0.00 -0.24 -0.23 -0.76 0.41 0.00 0.00 173.24 172.43 1ujx s LEU 94 N -1.97 2.03 0.08 2.44 1.02 0.40 -4.91 118.68 117.78 1ujx s LEU 94 Ca -0.03 -0.52 -0.06 0.00 0.02 0.00 0.00 54.13 53.54 1ujx s LEU 94 Cb -0.06 -1.33 -0.05 0.00 0.02 0.00 0.00 46.19 44.77 1ujx s LEU 94 CO -0.00 0.16 0.34 -0.44 0.02 0.00 0.00 176.35 176.43 1ujx s SER 95 N 0.30 6.53 -0.45 2.29 0.01 -1.26 -1.68 113.70 119.44 1ujx s SER 95 Ca -0.16 0.62 -0.41 0.00 1.31 0.00 0.00 55.95 57.31 1ujx s SER 95 Cb -0.17 -2.11 -0.16 0.00 0.21 0.00 0.00 66.02 63.79 1ujx s SER 95 CO 0.08 0.15 2.14 0.18 0.41 0.00 0.00 173.24 176.20 1ujx n LEU 96 N 0.62 1.23 0.00 2.44 4.77 -1.25 0.19 117.00 124.99 1ujx n LEU 96 Ca -0.07 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1ujx n LEU 96 Cb 0.52 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1ujx n LEU 96 CO 0.45 -0.75 0.00 0.61 -1.33 0.00 0.00 177.39 176.36 1ujx n GLY 97 N 7.10 2.42 3.51 -0.72 0.00 0.02 -5.00 105.19 112.52 1ujx n GLY 97 Ca 0.50 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 0.22 -0.46 -4.98 1.61 9.92 0.49 -4.35 116.55 119.00 1ujx n ASP 98 Ca 0.00 0.77 -0.20 0.00 -0.53 0.00 0.00 54.79 54.83 1ujx n ASP 98 Cb 0.00 -1.24 0.01 0.00 -0.64 0.00 0.00 41.12 39.25 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 -1.64 3.64 -0.41 2.53 1.01 -1.26 -2.54 120.40 121.72 1ujx s VAL 99 Ca 0.71 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.90 1ujx s VAL 99 Cb -0.44 -3.29 0.17 0.00 0.00 0.00 0.00 36.38 32.82 1ujx s VAL 99 CO 0.52 -0.15 0.44 -0.22 0.00 0.00 0.00 175.10 175.69 1ujx s LEU 100 N -4.39 0.13 -0.50 3.92 2.96 -0.52 -0.61 118.68 119.66 1ujx s LEU 100 Ca 0.50 -2.10 -0.26 0.00 -0.22 0.00 0.00 54.13 52.04 1ujx s LEU 100 Cb -0.10 0.51 -0.06 0.00 0.50 0.00 0.00 46.19 47.04 1ujx s LEU 100 CO 0.34 -0.19 2.31 -0.31 -1.32 0.00 0.00 176.35 177.19 1ujx s TYR 101 N 0.86 1.17 0.13 5.38 2.02 -0.68 -2.70 117.35 123.53 1ujx s TYR 101 Ca 0.25 1.42 -0.25 0.00 -0.37 0.00 0.00 57.07 58.12 1ujx s TYR 101 Cb -0.06 -3.67 -0.05 0.00 -0.40 0.00 0.00 41.96 37.77 1ujx s TYR 101 CO -0.08 -2.53 1.24 -0.11 -1.57 0.00 0.00 175.55 172.50 1ujx n LEU 102 N 15.29 -0.85 -3.71 -1.29 0.00 -0.92 -3.51 117.00 122.02 1ujx n LEU 102 Ca 0.34 1.43 -0.06 0.00 0.00 0.00 0.00 56.01 57.72 1ujx n LEU 102 Cb 0.54 -0.19 -0.02 0.00 0.00 0.00 0.00 43.42 43.76 1ujx n LEU 102 CO 0.71 -1.17 0.64 0.54 0.00 0.00 0.00 177.39 178.11 1ujx s VAL 103 N -5.41 0.00 -1.21 1.96 0.11 -1.25 -4.69 120.40 109.92 1ujx s VAL 103 Ca -0.10 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.39 1ujx s VAL 103 Cb 0.09 -1.75 0.00 0.00 -1.53 0.00 0.00 36.38 33.19 1ujx s VAL 103 CO 0.50 0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 169.07 1ujx n ASN 104 N -0.42 -4.07 -1.20 3.54 2.85 -1.26 0.23 115.26 114.93 1ujx n ASN 104 Ca -0.07 0.20 -0.12 0.00 -0.11 0.00 0.00 54.58 54.48 1ujx n ASN 104 Cb 0.61 -3.50 -0.05 0.00 1.24 0.00 0.00 39.78 38.07 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 -0.73 1.16 0.61 8.20 0.00 -1.26 -4.90 105.19 108.27 1ujx n GLY 105 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.65 0.00 -3.92 0.99 4.77 0.14 -4.81 117.00 112.52 1ujx n LEU 106 Ca -0.12 -0.48 -0.39 0.00 -0.03 0.00 0.00 56.01 54.99 1ujx n LEU 106 Cb 0.45 0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1ujx n LEU 106 CO 0.19 -0.26 -0.14 -1.22 -1.33 0.00 0.00 177.39 174.63 1ujx n TYR 107 N -0.60 -1.64 -2.42 -1.77 4.01 -1.26 -2.53 117.16 110.95 1ujx n TYR 107 Ca -0.01 0.28 -0.43 0.00 -0.16 0.00 0.00 57.90 57.58 1ujx n TYR 107 Cb 0.10 -2.98 -0.02 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 -6.66 4.26 -0.29 -0.72 0.04 -1.26 -2.16 135.00 128.21 1ujx s PRO 108 Ca 0.42 1.68 -0.11 0.00 0.04 0.00 0.00 61.00 63.04 1ujx s PRO 108 Cb -0.21 -3.72 -0.04 0.00 0.04 0.00 0.00 34.50 30.58 1ujx s PRO 108 CO 0.93 -0.65 0.18 -0.51 0.04 0.00 0.00 177.00 176.99 1ujx s LEU 109 N 3.20 4.03 -0.17 -3.56 2.01 -1.10 -4.78 118.68 118.31 1ujx s LEU 109 Ca 0.56 -0.15 -0.18 0.00 0.01 0.00 0.00 54.13 54.37 1ujx s LEU 109 Cb -0.23 -2.08 -0.04 0.00 0.01 0.00 0.00 46.19 43.85 1ujx s LEU 109 CO 0.17 -0.09 0.50 -0.89 1.01 0.00 0.00 176.35 177.05 1ujx s THR 110 N 1.72 5.14 -0.01 5.49 2.01 -1.24 -1.44 115.64 127.31 1ujx s THR 110 Ca 0.07 0.94 -0.30 0.00 0.31 0.00 0.00 61.69 62.71 1ujx s THR 110 Cb -0.16 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 1ujx s THR 110 CO 0.09 0.23 0.99 -0.22 -0.69 0.00 0.00 174.62 175.03 1ujx s LEU 111 N 1.30 4.35 0.27 4.42 2.96 -1.05 -0.15 118.68 130.78 1ujx s LEU 111 Ca 0.24 1.66 0.05 0.00 -0.22 0.00 0.00 54.13 55.87 1ujx s LEU 111 Cb -0.15 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 1ujx s LEU 111 CO 0.10 -0.30 -0.03 -0.13 -1.32 0.00 0.00 176.35 174.67 1ujx s ARG 112 N 1.16 1.50 -0.02 1.98 1.81 0.20 -0.80 118.95 124.78 1ujx s ARG 112 Ca 0.52 -1.76 0.00 0.00 -1.72 0.00 0.00 55.73 52.77 1ujx s ARG 112 Cb -0.21 -0.97 0.02 0.00 -0.45 0.00 0.00 34.95 33.34 1ujx s ARG 112 CO 0.27 -0.02 0.00 -0.46 -0.68 0.00 0.00 175.30 174.41 1ujx s TRP 113 N -3.16 0.21 0.38 -0.53 -0.11 -1.26 -1.67 118.94 112.80 1ujx s TRP 113 Ca 0.30 0.03 -0.24 0.00 1.22 0.00 0.00 56.10 57.40 1ujx s TRP 113 Cb 0.05 -0.30 -0.10 0.00 -1.50 0.00 0.00 33.47 31.62 1ujx s TRP 113 CO 0.11 -0.09 0.99 0.45 -4.62 0.00 0.00 176.95 173.79 1ujx s SER 114 N 0.81 7.00 0.00 5.86 0.15 -0.43 -4.89 113.70 122.19 1ujx s SER 114 Ca -0.08 1.89 0.00 0.00 0.70 0.00 0.00 55.95 58.47 1ujx s SER 114 Cb -0.11 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1ujx s SER 114 CO -0.02 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1ujx n GLY 115 N 0.21 4.40 3.81 9.45 0.00 -1.26 -3.92 105.19 117.88 1ujx n GLY 115 Ca 0.04 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.22 3.46 -0.13 1.61 0.04 -1.26 -5.01 135.00 130.49 1ujx s PRO 116 Ca 0.00 1.20 -0.13 0.00 0.04 0.00 0.00 61.00 62.11 1ujx s PRO 116 Cb 0.00 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 1ujx s PRO 116 CO 0.00 -0.70 -0.26 -1.13 0.04 0.00 0.00 177.00 174.95 1ujx n SER 117 N -1.83 1.70 -4.79 6.66 3.41 -1.26 -5.00 113.62 112.50 1ujx n SER 117 Ca 0.09 0.28 -0.34 0.00 -0.26 0.00 0.00 58.87 58.63 1ujx n SER 117 Cb 0.53 -0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 63.83 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 -6.07 6.04 0.00 4.04 0.15 -1.26 -5.37 113.70 111.23 1ujx s SER 118 Ca -0.23 1.97 0.00 0.00 0.70 0.00 0.00 55.95 58.39 1ujx s SER 118 Cb 0.04 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1ujx s SER 118 CO 0.33 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.39