#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 7.04 0.27 1.61 0.15 -1.26 -5.02 113.70 116.48 1ujx s SER 2 Ca 0.00 -3.05 -0.03 0.00 0.70 0.00 0.00 55.95 53.56 1ujx s SER 2 Cb 0.00 -2.26 -0.05 0.00 -1.71 0.00 0.00 66.02 62.00 1ujx s SER 2 CO 0.00 -0.54 0.51 -0.55 1.20 0.00 0.00 173.24 173.86 1ujx s SER 3 N 2.08 6.42 -0.37 5.45 0.15 -1.26 -5.03 113.70 121.14 1ujx s SER 3 Ca 0.29 0.61 0.04 0.00 0.70 0.00 0.00 55.95 57.60 1ujx s SER 3 Cb -0.08 -2.10 0.32 0.00 -1.71 0.00 0.00 66.02 62.45 1ujx s SER 3 CO -0.07 -0.16 1.30 0.61 1.20 0.00 0.00 173.24 176.12 1ujx n GLY 4 N -0.89 -0.85 3.09 9.45 0.00 -1.26 -5.15 105.19 109.58 1ujx n GLY 4 Ca -0.03 0.60 -0.12 0.00 0.00 0.00 0.00 46.02 46.48 1ujx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujx s SER 5 N -0.56 -0.06 0.46 1.61 0.01 -1.26 -5.12 113.70 108.78 1ujx s SER 5 Ca 0.21 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.49 1ujx s SER 5 Cb 0.29 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.79 1ujx s SER 5 CO -0.15 -0.26 0.00 -1.20 0.41 0.00 0.00 173.24 172.04 1ujx n SER 6 N 2.02 -7.15 -3.86 2.44 7.64 -1.26 -5.03 113.62 108.42 1ujx n SER 6 Ca -0.19 1.01 -0.22 0.00 1.01 0.00 0.00 58.87 60.47 1ujx n SER 6 Cb 0.57 -4.07 -0.08 0.00 -1.01 0.00 0.00 64.21 59.62 1ujx n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ujx s GLY 7 N -6.87 2.41 -0.27 0.23 0.00 -1.26 -5.09 107.32 96.47 1ujx s GLY 7 Ca 0.00 -1.60 -0.42 0.00 0.00 0.00 0.00 44.72 42.71 1ujx s GLY 7 CO 0.00 -1.67 1.30 -0.13 0.00 0.00 0.00 173.10 172.60 1ujx n MET 8 N -0.75 0.00 -0.05 2.90 1.56 -1.26 -4.87 117.12 114.65 1ujx n MET 8 Ca -0.00 0.00 -0.06 0.00 -0.27 0.00 0.00 57.70 57.37 1ujx n MET 8 Cb 0.64 -1.42 -0.02 0.00 2.15 0.00 0.00 33.22 34.57 1ujx n MET 8 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1ujx n SER 9 N 2.79 1.51 -2.98 6.12 2.88 -1.26 -5.04 113.62 117.63 1ujx n SER 9 Ca 0.25 0.25 0.04 0.00 -1.33 0.00 0.00 58.87 58.07 1ujx n SER 9 Cb -0.00 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 1ujx n SER 9 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1ujx s GLN 10 N -2.46 0.13 0.49 -1.46 0.74 -1.26 -5.13 119.66 110.70 1ujx s GLN 10 Ca -0.19 0.04 0.00 0.00 0.05 0.00 0.00 55.36 55.26 1ujx s GLN 10 Cb 0.03 0.03 0.00 0.00 1.10 0.00 0.00 33.01 34.17 1ujx s GLN 10 CO 0.28 -0.21 0.00 1.28 -0.55 0.00 0.00 175.29 176.09 1ujx n LEU 11 N 4.47 -2.06 0.00 3.68 4.77 -1.26 -5.06 117.00 121.54 1ujx n LEU 11 Ca 0.08 2.76 0.00 0.00 -0.03 0.00 0.00 56.01 58.82 1ujx n LEU 11 Cb 0.60 -2.65 0.00 0.00 -2.33 0.00 0.00 43.42 39.04 1ujx n LEU 11 CO -0.15 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1ujx n GLY 12 N -1.11 0.13 1.42 -0.72 0.00 -1.26 -5.15 105.19 98.51 1ujx n GLY 12 Ca 0.00 -0.84 0.18 0.00 0.00 0.00 0.00 46.02 45.36 1ujx n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ujx n SER 13 N 0.00 -8.43 -4.72 1.61 7.64 -1.26 -4.96 113.62 103.50 1ujx n SER 13 Ca 0.00 0.89 -0.28 0.00 1.01 0.00 0.00 58.87 60.48 1ujx n SER 13 Cb 0.00 -4.53 -0.08 0.00 -1.01 0.00 0.00 64.21 58.59 1ujx n SER 13 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ujx s ARG 14 N -2.99 2.13 1.07 1.43 0.52 -1.26 -5.12 118.95 114.73 1ujx s ARG 14 Ca 0.00 -2.10 -0.17 0.00 -0.52 0.00 0.00 55.73 52.93 1ujx s ARG 14 Cb 0.00 -1.75 0.07 0.00 0.52 0.00 0.00 34.95 33.78 1ujx s ARG 14 CO 0.00 -0.20 0.02 0.41 0.02 0.00 0.00 175.30 175.55 1ujx n GLY 15 N -1.20 -2.45 3.12 -3.53 0.00 -1.26 -4.98 105.19 94.90 1ujx n GLY 15 Ca -0.07 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.39 0.26 0.26 1.61 1.81 -1.21 -4.86 118.95 113.42 1ujx s ARG 16 Ca 0.55 0.66 -0.23 0.00 -1.72 0.00 0.00 55.73 54.98 1ujx s ARG 16 Cb -0.13 -0.06 -0.09 0.00 -0.45 0.00 0.00 34.95 34.21 1ujx s ARG 16 CO 0.67 -0.18 0.83 -0.51 -0.68 0.00 0.00 175.30 175.42 1ujx s LEU 17 N 1.50 4.39 0.09 2.53 1.43 -1.26 -0.01 118.68 127.34 1ujx s LEU 17 Ca -0.08 1.63 -0.26 0.00 -1.03 0.00 0.00 54.13 54.39 1ujx s LEU 17 Cb -0.10 -3.72 0.08 0.00 0.03 0.00 0.00 46.19 42.48 1ujx s LEU 17 CO -0.10 0.02 0.87 -1.66 0.23 0.00 0.00 176.35 175.71 1ujx s TRP 18 N -1.50 -0.28 -0.01 0.29 1.48 -0.42 -2.73 118.94 115.78 1ujx s TRP 18 Ca 0.45 0.05 -0.04 0.00 -1.06 0.00 0.00 56.10 55.50 1ujx s TRP 18 Cb -0.19 0.59 -0.04 0.00 -1.16 0.00 0.00 33.47 32.67 1ujx s TRP 18 CO 0.23 -0.72 0.22 -0.51 -4.06 0.00 0.00 176.95 172.11 1ujx s LEU 19 N -2.71 4.37 -0.34 -4.66 2.01 -1.08 0.12 118.68 116.38 1ujx s LEU 19 Ca 0.08 0.44 0.01 0.00 0.01 0.00 0.00 54.13 54.66 1ujx s LEU 19 Cb -0.01 -2.62 0.09 0.00 0.01 0.00 0.00 46.19 43.65 1ujx s LEU 19 CO -0.04 0.26 0.07 -1.58 1.01 0.00 0.00 176.35 176.06 1ujx s GLN 20 N -1.84 1.89 0.42 1.70 0.74 0.33 -3.62 119.66 119.28 1ujx s GLN 20 Ca 0.27 -1.69 -0.22 0.00 0.05 0.00 0.00 55.36 53.77 1ujx s GLN 20 Cb -0.13 -3.27 -0.10 0.00 1.10 0.00 0.00 33.01 30.61 1ujx s GLN 20 CO 0.17 -0.88 0.99 -1.54 -0.55 0.00 0.00 175.29 173.48 1ujx s SER 21 N 1.26 6.82 0.93 6.67 1.04 -1.26 -3.33 113.70 125.83 1ujx s SER 21 Ca 0.05 1.85 -0.13 0.00 0.48 0.00 0.00 55.95 58.20 1ujx s SER 21 Cb -0.20 -2.56 0.15 0.00 0.10 0.00 0.00 66.02 63.50 1ujx s SER 21 CO -0.05 -0.44 1.15 -2.16 0.98 0.00 0.00 173.24 172.71 1ujx s PRO 22 N -2.86 0.99 0.65 4.02 0.04 -1.26 -4.90 135.00 131.68 1ujx s PRO 22 Ca 0.60 0.23 -0.16 0.00 0.04 0.00 0.00 61.00 61.71 1ujx s PRO 22 Cb -0.15 -1.83 -0.14 0.00 0.04 0.00 0.00 34.50 32.42 1ujx s PRO 22 CO 0.20 -2.29 -0.37 2.41 0.04 0.00 0.00 177.00 176.99 1ujx n THR 23 N -3.82 0.00 -3.60 1.26 -1.04 -1.26 -3.01 114.28 102.81 1ujx n THR 23 Ca 0.07 -0.47 -0.27 0.00 -2.04 0.00 0.00 64.05 61.34 1ujx n THR 23 Cb 0.59 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 69.15 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 2.70 -1.05 3.05 3.41 0.00 -1.26 -4.99 105.19 107.05 1ujx n GLY 24 Ca 0.04 0.48 -0.10 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.63 1.70 3.78 -0.02 0.00 -1.17 -5.14 105.19 102.72 1ujx n GLY 25 Ca -0.09 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.39 0.70 0.98 1.61 0.04 -1.26 -5.03 135.00 129.64 1ujx s PRO 26 Ca 0.19 0.12 -0.14 0.00 0.04 0.00 0.00 61.00 61.21 1ujx s PRO 26 Cb -0.02 -1.80 0.18 0.00 0.04 0.00 0.00 34.50 32.89 1ujx s PRO 26 CO 0.14 -2.46 1.17 -1.25 0.04 0.00 0.00 177.00 174.64 1ujx s PRO 27 N -5.40 0.58 -0.25 0.56 0.04 -1.26 -4.53 135.00 124.74 1ujx s PRO 27 Ca 0.67 0.08 -0.29 0.00 0.04 0.00 0.00 61.00 61.49 1ujx s PRO 27 Cb -0.12 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 1ujx s PRO 27 CO 0.54 -2.53 1.32 -1.25 0.04 0.00 0.00 177.00 175.11 1ujx s PRO 28 N -5.43 4.01 0.12 0.56 0.04 -1.26 -4.78 135.00 128.26 1ujx s PRO 28 Ca 0.67 1.43 -0.29 0.00 0.04 0.00 0.00 61.00 62.86 1ujx s PRO 28 Cb -0.12 -3.86 -0.06 0.00 0.04 0.00 0.00 34.50 30.51 1ujx s PRO 28 CO 0.54 -1.00 0.91 0.42 0.04 0.00 0.00 177.00 177.91 1ujx s ILE 29 N 4.15 4.48 -0.51 0.56 1.09 -1.24 -4.88 121.20 124.86 1ujx s ILE 29 Ca 0.57 1.96 -0.16 0.00 -1.10 0.00 0.00 60.65 61.92 1ujx s ILE 29 Cb -0.19 -4.27 0.10 0.00 -1.06 0.00 0.00 42.46 37.04 1ujx s ILE 29 CO 0.21 0.36 0.47 -0.36 -0.10 0.00 0.00 174.94 175.52 1ujx s PHE 30 N -0.25 3.23 0.91 3.97 0.40 -1.26 -2.65 117.98 122.34 1ujx s PHE 30 Ca 0.44 -1.10 -0.10 0.00 -0.60 0.00 0.00 56.93 55.56 1ujx s PHE 30 Cb -0.23 -3.54 0.15 0.00 0.51 0.00 0.00 43.02 39.90 1ujx s PHE 30 CO 0.28 -0.94 1.14 -0.51 0.70 0.00 0.00 175.22 175.89 1ujx s LEU 31 N 1.69 2.79 0.78 -0.37 1.43 -1.11 -4.99 118.68 118.91 1ujx s LEU 31 Ca 0.04 2.15 -0.11 0.00 -1.03 0.00 0.00 54.13 55.18 1ujx s LEU 31 Cb -0.27 -4.53 0.06 0.00 0.03 0.00 0.00 46.19 41.48 1ujx s LEU 31 CO 0.05 -3.09 1.09 -2.16 0.23 0.00 0.00 176.35 172.47 1ujx s PRO 32 N -4.66 2.25 -0.12 1.29 0.04 -1.26 -4.81 135.00 127.74 1ujx s PRO 32 Ca 0.66 0.70 0.04 0.00 0.04 0.00 0.00 61.00 62.44 1ujx s PRO 32 Cb -0.23 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 1ujx s PRO 32 CO 0.58 -1.52 -0.06 -1.13 0.04 0.00 0.00 177.00 174.91 1ujx n SER 33 N -3.37 2.89 -0.62 6.66 3.41 -1.26 -4.20 113.62 117.13 1ujx n SER 33 Ca 0.07 -0.04 0.49 0.00 -0.26 0.00 0.00 58.87 59.13 1ujx n SER 33 Cb 0.56 0.11 0.79 0.00 -0.26 0.00 0.00 64.21 65.41 1ujx n SER 33 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ujx h ASP 34 N 0.00 0.00 0.00 4.04 5.19 -1.95 -3.42 116.42 120.28 1ujx h ASP 34 Ca -0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 1ujx h ASP 34 Cb 1.49 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.00 1ujx h ASP 34 CO -0.02 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.71 1ujx n GLY 35 N -1.89 1.24 3.60 2.75 0.00 -1.26 -5.12 105.19 104.51 1ujx n GLY 35 Ca 0.40 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 1ujx n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ujx s GLN 36 N -0.05 0.18 -0.25 1.61 -0.21 -1.26 -4.89 119.66 114.79 1ujx s GLN 36 Ca 0.00 1.13 -0.05 0.00 0.02 0.00 0.00 55.36 56.46 1ujx s GLN 36 Cb 0.00 -1.66 -0.00 0.00 1.00 0.00 0.00 33.01 32.35 1ujx s GLN 36 CO 0.00 -3.07 0.01 0.00 -2.12 0.00 0.00 175.29 170.12 1ujx s ALA 37 N -2.61 2.95 -0.54 6.09 0.00 -1.26 -4.27 121.76 122.12 1ujx s ALA 37 Ca 0.67 -1.27 -0.21 0.00 0.00 0.00 0.00 51.96 51.15 1ujx s ALA 37 Cb -0.23 -1.91 0.06 0.00 0.00 0.00 0.00 23.12 21.04 1ujx s ALA 37 CO 0.61 -0.62 0.76 -1.17 0.00 0.00 0.00 175.76 175.33 1ujx s LEU 38 N 1.50 4.67 0.46 0.00 2.96 0.51 -4.86 118.68 123.93 1ujx s LEU 38 Ca 0.04 -0.77 -0.22 0.00 -0.22 0.00 0.00 54.13 52.96 1ujx s LEU 38 Cb -0.15 -2.56 -0.08 0.00 0.50 0.00 0.00 46.19 43.90 1ujx s LEU 38 CO -0.00 -1.06 1.11 -0.69 -1.32 0.00 0.00 176.35 174.39 1ujx s VAL 39 N 3.16 3.37 0.38 1.68 1.01 -1.26 -1.24 120.40 127.50 1ujx s VAL 39 Ca 0.20 0.97 0.04 0.00 0.00 0.00 0.00 61.98 63.19 1ujx s VAL 39 Cb -0.17 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1ujx s VAL 39 CO 0.14 -0.07 0.08 -0.76 0.00 0.00 0.00 175.10 174.49 1ujx s LEU 40 N -3.14 2.13 0.00 3.92 1.43 -1.01 -4.90 118.68 117.11 1ujx s LEU 40 Ca 0.64 -1.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1ujx s LEU 40 Cb -0.24 -0.32 0.00 0.00 0.03 0.00 0.00 46.19 45.66 1ujx s LEU 40 CO 0.29 -0.75 0.00 0.61 0.23 0.00 0.00 176.35 176.73 1ujx n GLY 41 N -0.83 0.21 3.76 -3.19 0.00 -1.25 -1.92 105.19 101.98 1ujx n GLY 41 Ca -0.05 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 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 4.20 0.00 1.61 0.52 -1.25 -4.42 118.95 117.62 1ujx s ARG 42 Ca 0.00 2.43 0.00 0.00 -0.52 0.00 0.00 55.73 57.64 1ujx s ARG 42 Cb 0.00 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.43 1ujx s ARG 42 CO 0.00 -0.45 0.00 0.41 0.02 0.00 0.00 175.30 175.28 1ujx n GLY 43 N 1.32 0.54 0.09 -3.53 0.00 0.41 -4.64 105.19 99.37 1ujx n GLY 43 Ca 0.04 -1.84 0.12 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.11 0.17 0.12 1.61 -0.04 -1.26 -1.06 135.00 133.43 1ujx n PRO 44 Ca 0.00 0.27 -0.14 0.00 -0.04 0.00 0.00 63.50 63.58 1ujx n PRO 44 Cb 0.00 -1.75 -0.07 0.00 -0.04 0.00 0.00 33.50 31.64 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 -1.21 -2.86 1.53 3.38 -1.89 -3.04 115.31 111.22 1ujx h LEU 45 Ca 0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ujx h LEU 45 Cb 0.51 0.45 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1ujx h LEU 45 CO 0.00 -0.48 0.00 0.35 0.09 0.00 0.00 178.44 178.40 1ujx n THR 46 N -5.46 0.97 -2.07 0.22 -2.24 -1.23 -4.76 114.28 99.71 1ujx n THR 46 Ca -0.07 -0.99 -0.18 0.00 -2.27 0.00 0.00 64.05 60.54 1ujx n THR 46 Cb 0.38 0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 69.09 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 0.31 -1.67 -3.30 -0.78 1.13 -0.22 -4.75 117.38 108.09 1ujx n GLN 47 Ca 0.09 0.97 -0.38 0.00 -1.94 0.00 0.00 57.00 55.74 1ujx n GLN 47 Cb 0.38 -5.50 -0.06 0.00 0.11 0.00 0.00 30.24 25.17 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 -2.79 5.15 -0.10 5.09 1.01 -0.75 -4.92 120.40 123.09 1ujx s VAL 48 Ca 0.00 1.00 0.14 0.00 0.00 0.00 0.00 61.98 63.11 1ujx s VAL 48 Cb 0.00 -3.83 0.28 0.00 0.00 0.00 0.00 36.38 32.82 1ujx s VAL 48 CO 0.00 0.35 1.13 0.35 0.00 0.00 0.00 175.10 176.93 1ujx n THR 49 N 3.46 1.21 -3.10 3.92 -2.24 -1.26 -0.44 114.28 115.83 1ujx n THR 49 Ca -0.07 -1.76 -0.40 0.00 -2.27 0.00 0.00 64.05 59.55 1ujx n THR 49 Cb 0.52 0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.83 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 -2.38 6.85 0.22 3.42 2.15 -1.26 -4.95 116.67 120.73 1ujx s ASP 50 Ca 0.26 1.03 -0.07 0.00 0.43 0.00 0.00 52.55 54.20 1ujx s ASP 50 Cb 0.25 -2.38 0.36 0.00 -0.30 0.00 0.00 42.92 40.86 1ujx s ASP 50 CO -0.03 -0.15 1.73 0.03 -0.17 0.00 0.00 175.17 176.57 1ujx h ARG 51 N 6.97 0.37 -0.29 4.34 2.47 -2.04 0.64 114.38 126.85 1ujx h ARG 51 Ca -0.38 -0.02 0.08 0.00 -1.26 0.00 0.00 59.98 58.40 1ujx h ARG 51 Cb 1.18 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.40 1ujx h ARG 51 CO 0.77 0.24 0.52 0.87 0.56 0.00 0.00 179.97 182.93 1ujx h LYS 52 N 0.38 0.00 -5.80 0.04 6.56 -2.03 -3.34 116.57 112.38 1ujx h LYS 52 Ca 0.36 0.00 -0.62 0.00 -1.06 0.00 0.00 60.65 59.32 1ujx h LYS 52 Cb 0.51 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 32.04 1ujx h LYS 52 CO -0.38 0.00 0.39 0.00 -2.06 0.00 0.00 179.45 177.40 1ujx s SER 54 N 2.26 7.07 0.44 0.00 0.15 -1.25 -3.75 113.70 118.60 1ujx s SER 54 Ca 0.30 1.27 0.36 0.00 0.70 0.00 0.00 55.95 58.58 1ujx s SER 54 Cb -0.12 -2.37 1.44 0.00 -1.71 0.00 0.00 66.02 63.26 1ujx s SER 54 CO 0.22 0.26 1.41 0.54 1.20 0.00 0.00 173.24 176.87 1ujx n ARG 55 N 1.82 -0.02 -2.88 5.44 1.74 -1.26 0.11 116.66 121.61 1ujx n ARG 55 Ca -0.10 1.08 -0.24 0.00 -0.77 0.00 0.00 57.85 57.81 1ujx n ARG 55 Cb 0.51 -2.25 -0.03 0.00 -1.02 0.00 0.00 32.46 29.67 1ujx n ARG 55 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1ujx n ASN 56 N -4.22 3.72 -0.21 0.55 0.23 -1.23 -3.75 115.26 110.35 1ujx n ASN 56 Ca 0.38 -3.52 -0.08 0.00 -0.53 0.00 0.00 54.58 50.83 1ujx n ASN 56 Cb 1.58 -0.55 0.03 0.00 -2.08 0.00 0.00 39.78 38.76 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 2.91 0.98 -4.34 -3.83 5.75 0.15 -2.84 115.11 113.88 1ujx h GLN 57 Ca 0.14 -0.24 -0.28 0.00 -0.15 0.00 0.00 58.65 58.12 1ujx h GLN 57 Cb 0.70 -0.12 -0.11 0.00 1.07 0.00 0.00 27.48 29.02 1ujx h GLN 57 CO 0.75 0.90 -0.34 0.14 -2.65 0.00 0.00 178.83 177.63 1ujx s VAL 58 N -5.28 0.00 -0.19 2.39 -7.23 -1.24 -0.91 120.40 107.94 1ujx s VAL 58 Ca -0.12 -1.75 -0.02 0.00 -1.81 0.00 0.00 61.98 58.28 1ujx s VAL 58 Cb 0.13 -2.51 0.06 0.00 0.56 0.00 0.00 36.38 34.61 1ujx s VAL 58 CO 0.82 0.00 0.00 -0.70 -0.31 0.00 0.00 175.10 174.92 1ujx s GLU 59 N -3.53 0.95 -0.08 4.82 2.12 0.56 -2.40 118.70 121.15 1ujx s GLU 59 Ca 0.34 -0.54 -0.12 0.00 0.36 0.00 0.00 54.97 55.01 1ujx s GLU 59 Cb 0.02 -2.16 -0.05 0.00 0.26 0.00 0.00 34.13 32.20 1ujx s GLU 59 CO 0.19 -0.59 0.31 -0.51 -0.54 0.00 0.00 175.26 174.11 1ujx s LEU 60 N 1.73 4.39 -0.07 2.70 1.02 -0.37 -2.05 118.68 126.03 1ujx s LEU 60 Ca -0.02 0.70 -0.01 0.00 0.02 0.00 0.00 54.13 54.83 1ujx s LEU 60 Cb -0.17 -2.39 0.03 0.00 0.02 0.00 0.00 46.19 43.68 1ujx s LEU 60 CO -0.07 0.28 -0.02 -0.63 0.02 0.00 0.00 176.35 175.93 1ujx s ILE 61 N -0.61 0.52 -0.12 -0.59 1.09 -0.72 0.19 121.20 120.97 1ujx s ILE 61 Ca 0.19 0.00 -0.29 0.00 -1.10 0.00 0.00 60.65 59.45 1ujx s ILE 61 Cb -0.14 -0.63 -0.02 0.00 -1.06 0.00 0.00 42.46 40.60 1ujx s ILE 61 CO 0.08 0.27 1.27 0.00 -0.10 0.00 0.00 174.94 176.46 1ujx s ALA 62 N 1.74 3.61 -0.57 9.38 0.00 -1.26 -1.85 121.76 132.80 1ujx s ALA 62 Ca 0.02 0.55 0.04 0.00 0.00 0.00 0.00 51.96 52.57 1ujx s ALA 62 Cb -0.13 -3.59 0.14 0.00 0.00 0.00 0.00 23.12 19.54 1ujx s ALA 62 CO -0.05 -1.05 0.34 -0.51 0.00 0.00 0.00 175.76 174.49 1ujx s ASP 63 N 1.88 4.35 0.00 0.00 1.01 0.59 -4.68 116.67 119.81 1ujx s ASP 63 Ca 0.56 -3.26 0.23 0.00 0.71 0.00 0.00 52.55 50.79 1ujx s ASP 63 Cb -0.23 -1.55 1.36 0.00 1.01 0.00 0.00 42.92 43.51 1ujx s ASP 63 CO 0.18 -0.18 1.75 -0.81 0.21 0.00 0.00 175.17 176.31 1ujx n PRO 64 N 2.76 0.75 -0.28 8.23 -0.04 -1.26 -0.53 135.00 144.63 1ujx n PRO 64 Ca 0.11 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.51 1ujx n PRO 64 Cb 0.34 -1.48 0.06 0.00 -0.04 0.00 0.00 33.50 32.38 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 1.11 -0.25 0.54 4.11 -1.90 -3.31 114.58 114.87 1ujx h GLU 65 Ca 0.00 -0.18 -0.21 0.00 0.07 0.00 0.00 59.36 59.04 1ujx h GLU 65 Cb 0.00 -0.19 -0.36 0.00 0.50 0.00 0.00 28.75 28.70 1ujx h GLU 65 CO 0.00 0.88 -0.98 0.43 0.07 0.00 0.00 179.01 179.41 1ujx n SER 66 N -4.36 1.01 -3.80 3.06 7.64 -1.20 -5.01 113.62 110.96 1ujx n SER 66 Ca 0.07 -2.03 -0.33 0.00 1.01 0.00 0.00 58.87 57.58 1ujx n SER 66 Cb 0.15 -0.29 0.02 0.00 -1.01 0.00 0.00 64.21 63.09 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 -0.36 -0.95 -4.14 1.43 1.74 -1.06 -4.97 116.66 108.36 1ujx n ARG 67 Ca 0.03 0.46 -0.15 0.00 -0.77 0.00 0.00 57.85 57.42 1ujx n ARG 67 Cb 0.90 -3.29 -0.06 0.00 -1.02 0.00 0.00 32.46 28.99 1ujx n ARG 67 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1ujx s THR 68 N -3.35 0.00 -0.14 0.55 -4.23 0.31 -4.01 115.64 104.76 1ujx s THR 68 Ca 0.35 -1.72 -0.12 0.00 -1.18 0.00 0.00 61.69 59.02 1ujx s THR 68 Cb -0.16 -2.55 0.04 0.00 1.34 0.00 0.00 72.50 71.17 1ujx s THR 68 CO 0.90 0.00 0.37 -0.69 -0.54 0.00 0.00 174.62 174.66 1ujx s VAL 69 N -3.38 -0.01 0.09 2.29 1.01 -0.11 -0.30 120.40 120.00 1ujx s VAL 69 Ca 0.33 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.23 1ujx s VAL 69 Cb 0.01 -0.52 -0.06 0.00 0.00 0.00 0.00 36.38 35.81 1ujx s VAL 69 CO 0.20 0.01 0.44 0.00 0.00 0.00 0.00 175.10 175.75 1ujx s ALA 70 N 0.46 3.69 -0.13 5.51 0.00 -0.77 0.19 121.76 130.71 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 -2.34 0.04 0.00 0.00 0.00 0.00 23.12 20.78 1ujx s ALA 70 CO -0.02 0.53 -0.02 0.08 0.00 0.00 0.00 175.76 176.33 1ujx s VAL 71 N -1.41 0.73 -0.14 0.00 1.01 0.13 -1.76 120.40 118.97 1ujx s VAL 71 Ca 0.34 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1ujx s VAL 71 Cb -0.14 -0.94 -0.00 0.00 0.00 0.00 0.00 36.38 35.29 1ujx s VAL 71 CO 0.18 0.14 -0.18 -0.75 0.00 0.00 0.00 175.10 174.49 1ujx s LYS 72 N 1.80 3.16 -0.37 2.72 2.20 -0.87 0.11 119.74 128.50 1ujx s LYS 72 Ca 0.03 -0.79 -0.28 0.00 -0.36 0.00 0.00 55.97 54.56 1ujx s LYS 72 Cb -0.14 -2.51 0.02 0.00 -1.51 0.00 0.00 37.83 33.68 1ujx s LYS 72 CO -0.07 0.07 1.06 -1.14 -0.36 0.00 0.00 175.35 174.90 1ujx s GLN 73 N 0.66 3.94 0.00 4.03 0.74 -0.95 -0.32 119.66 127.76 1ujx s GLN 73 Ca -0.09 0.85 0.04 0.00 0.05 0.00 0.00 55.36 56.21 1ujx s GLN 73 Cb -0.16 -3.79 0.00 0.00 1.10 0.00 0.00 33.01 30.16 1ujx s GLN 73 CO 0.02 -1.02 0.44 1.28 -0.55 0.00 0.00 175.29 175.47 1ujx n LEU 74 N 7.07 0.88 0.00 3.68 4.77 -0.97 -2.20 117.00 130.23 1ujx n LEU 74 Ca 0.11 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 1ujx n LEU 74 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1ujx n LEU 74 CO 0.62 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1ujx n GLY 75 N 0.60 1.24 1.39 -0.72 0.00 -0.08 -4.84 105.19 102.78 1ujx n GLY 75 Ca 0.02 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 0.23 -1.77 1.61 3.14 -1.26 -4.86 118.33 115.42 1ujx n VAL 76 Ca 0.00 0.08 -0.39 0.00 -2.96 0.00 0.00 64.34 61.06 1ujx n VAL 76 Cb 0.00 -1.13 0.03 0.00 -1.06 0.00 0.00 33.84 31.67 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 -5.18 5.67 -0.11 6.55 0.01 -1.26 -4.68 114.94 115.94 1ujx s ASN 77 Ca 0.00 2.91 -0.30 0.00 -0.71 0.00 0.00 52.86 54.76 1ujx s ASN 77 Cb 0.00 -2.65 -0.02 0.00 0.41 0.00 0.00 41.25 38.98 1ujx s ASN 77 CO 0.00 -1.31 1.25 -2.16 -1.51 0.00 0.00 177.10 173.36 1ujx s PRO 78 N -2.59 4.28 0.41 -0.60 0.04 -1.26 -4.89 135.00 130.40 1ujx s PRO 78 Ca 0.64 1.69 -0.04 0.00 0.04 0.00 0.00 61.00 63.33 1ujx s PRO 78 Cb -0.43 -3.67 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 1ujx s PRO 78 CO 0.55 -0.59 0.69 -1.12 0.04 0.00 0.00 177.00 176.56 1ujx s SER 79 N 1.78 6.31 -0.21 6.66 0.01 -1.26 -4.68 113.70 122.32 1ujx s SER 79 Ca 0.56 0.77 0.01 0.00 1.31 0.00 0.00 55.95 58.61 1ujx s SER 79 Cb -0.24 -2.18 0.04 0.00 0.21 0.00 0.00 66.02 63.86 1ujx s SER 79 CO 0.18 -0.44 -0.12 -0.89 0.41 0.00 0.00 173.24 172.39 1ujx s THR 80 N -2.51 1.83 -0.93 1.44 2.01 -1.21 0.19 115.64 116.46 1ujx s THR 80 Ca 0.45 -1.13 -0.15 0.00 0.31 0.00 0.00 61.69 61.17 1ujx s THR 80 Cb -0.10 -1.86 0.20 0.00 0.01 0.00 0.00 72.50 70.74 1ujx s THR 80 CO 0.39 0.19 0.97 -0.69 -0.69 0.00 0.00 174.62 174.80 1ujx s VAL 81 N 1.31 5.37 0.00 3.82 1.01 0.13 -1.31 120.40 130.73 1ujx s VAL 81 Ca -0.02 -2.36 0.00 0.00 0.00 0.00 0.00 61.98 59.60 1ujx s VAL 81 Cb -0.16 -4.61 0.00 0.00 0.00 0.00 0.00 36.38 31.60 1ujx s VAL 81 CO -0.08 -1.24 0.00 0.61 0.00 0.00 0.00 175.10 174.39 1ujx n GLY 82 N 4.25 1.48 0.35 4.51 0.00 0.11 -3.35 105.19 112.55 1ujx n GLY 82 Ca 0.20 -0.36 0.03 0.00 0.00 0.00 0.00 46.02 45.88 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 0.55 -4.92 1.61 3.14 -1.26 -4.80 118.33 112.64 1ujx n VAL 83 Ca 0.00 -0.66 -0.27 0.00 -2.96 0.00 0.00 64.34 60.45 1ujx n VAL 83 Cb 0.00 0.31 -0.16 0.00 -1.06 0.00 0.00 33.84 32.93 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 -0.84 1.84 0.20 1.45 -0.44 -1.21 -5.13 119.66 115.54 1ujx s GLN 84 Ca 0.09 -0.67 -0.24 0.00 -2.50 0.00 0.00 55.36 52.04 1ujx s GLN 84 Cb 0.08 -1.63 -0.08 0.00 -1.64 0.00 0.00 33.01 29.73 1ujx s GLN 84 CO 0.01 0.30 0.79 -2.00 0.50 0.00 0.00 175.29 174.89 1ujx s GLU 85 N -0.11 4.50 0.13 1.67 2.56 -1.26 -0.69 118.70 125.50 1ujx s GLU 85 Ca -0.01 1.12 0.02 0.00 0.00 0.00 0.00 54.97 56.10 1ujx s GLU 85 Cb -0.11 -3.11 0.02 0.00 2.00 0.00 0.00 34.13 32.93 1ujx s GLU 85 CO 0.02 0.49 0.17 1.28 -0.56 0.00 0.00 175.26 176.66 1ujx n LEU 86 N 1.24 0.00 -4.07 2.70 4.77 0.50 -4.91 117.00 117.23 1ujx n LEU 86 Ca -0.04 -0.60 -0.12 0.00 -0.03 0.00 0.00 56.01 55.23 1ujx n LEU 86 Cb 0.49 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 1ujx n LEU 86 CO 0.45 -0.51 0.08 -0.54 -1.33 0.00 0.00 177.39 175.54 1ujx s LYS 87 N -2.60 1.60 -0.30 3.23 1.02 -1.26 -4.42 119.74 117.01 1ujx s LYS 87 Ca 0.13 -1.50 -0.29 0.00 0.02 0.00 0.00 55.97 54.33 1ujx s LYS 87 Cb -0.01 0.42 -0.00 0.00 -0.52 0.00 0.00 37.83 37.72 1ujx s LYS 87 CO 0.08 -0.64 1.35 -1.25 -0.92 0.00 0.00 175.35 173.97 1ujx s PRO 88 N -3.72 3.87 0.00 -1.68 0.04 -1.26 -2.25 135.00 130.00 1ujx s PRO 88 Ca 0.29 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1ujx s PRO 88 Cb 0.01 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.64 1ujx s PRO 88 CO 0.13 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.40 1ujx n GLY 89 N 4.42 0.72 3.45 0.56 0.00 -0.93 -5.07 105.19 108.34 1ujx n GLY 89 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1ujx n GLY 89 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ujx n LEU 90 N 0.00 0.00 -3.64 0.99 7.94 -0.95 -4.88 117.00 116.46 1ujx n LEU 90 Ca 0.00 -1.53 -0.09 0.00 -1.11 0.00 0.00 56.01 53.27 1ujx n LEU 90 Cb 0.00 -0.77 -0.07 0.00 0.53 0.00 0.00 43.42 43.11 1ujx n LEU 90 CO 0.00 -1.18 0.37 -0.44 -1.11 0.00 0.00 177.39 175.03 1ujx s SER 91 N -5.05 -0.87 0.11 1.96 0.01 -1.26 -2.25 113.70 106.35 1ujx s SER 91 Ca 0.64 1.48 0.01 0.00 1.31 0.00 0.00 55.95 59.39 1ujx s SER 91 Cb -0.02 1.40 -0.01 0.00 0.21 0.00 0.00 66.02 67.60 1ujx s SER 91 CO 0.44 -0.24 0.05 0.61 0.41 0.00 0.00 173.24 174.51 1ujx n GLY 92 N 3.77 3.82 3.09 3.44 0.00 0.30 -4.96 105.19 114.66 1ujx n GLY 92 Ca -0.18 -1.90 -0.17 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.69 1.28 -0.12 1.61 1.04 -1.26 0.22 113.70 114.78 1ujx s SER 93 Ca 0.07 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 56.09 1ujx s SER 93 Cb 0.00 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.05 1ujx s SER 93 CO 0.05 -0.03 -0.17 -0.76 0.98 0.00 0.00 173.24 173.31 1ujx s LEU 94 N -1.11 2.49 0.38 2.42 1.02 0.50 -4.92 118.68 119.47 1ujx s LEU 94 Ca -0.02 -0.41 0.01 0.00 0.02 0.00 0.00 54.13 53.74 1ujx s LEU 94 Cb -0.08 -1.54 -0.02 0.00 0.02 0.00 0.00 46.19 44.57 1ujx s LEU 94 CO 0.01 0.17 0.58 -0.44 0.02 0.00 0.00 176.35 176.69 1ujx s SER 95 N 0.31 6.14 -0.28 2.29 0.01 -1.26 -0.94 113.70 119.96 1ujx s SER 95 Ca -0.13 0.37 -0.28 0.00 1.31 0.00 0.00 55.95 57.22 1ujx s SER 95 Cb -0.16 -1.84 -0.06 0.00 0.21 0.00 0.00 66.02 64.17 1ujx s SER 95 CO 0.07 -0.43 2.27 0.18 0.41 0.00 0.00 173.24 175.74 1ujx n LEU 96 N -1.87 3.02 0.00 2.44 4.77 -1.26 0.08 117.00 124.18 1ujx n LEU 96 Ca -0.03 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1ujx n LEU 96 Cb 0.57 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 1ujx n LEU 96 CO 0.48 -0.88 0.00 0.61 -1.33 0.00 0.00 177.39 176.27 1ujx n GLY 97 N 5.86 2.25 3.70 -0.72 0.00 0.11 -4.99 105.19 111.39 1ujx n GLY 97 Ca 0.32 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.01 1ujx n GLY 97 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ujx s ASP 98 N -1.20 3.50 0.28 1.61 1.11 0.11 -4.51 116.67 117.57 1ujx s ASP 98 Ca 0.00 2.28 0.07 0.00 0.18 0.00 0.00 52.55 55.08 1ujx s ASP 98 Cb 0.00 -2.58 -0.03 0.00 1.07 0.00 0.00 42.92 41.38 1ujx s ASP 98 CO 0.00 -2.73 0.24 -0.69 1.18 0.00 0.00 175.17 173.17 1ujx s VAL 99 N -2.33 4.10 -0.39 -1.27 1.01 -1.26 -2.02 120.40 118.23 1ujx s VAL 99 Ca 0.70 -1.38 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1ujx s VAL 99 Cb -0.26 -3.33 0.16 0.00 0.00 0.00 0.00 36.38 32.95 1ujx s VAL 99 CO 0.53 -0.28 0.36 -0.22 0.00 0.00 0.00 175.10 175.49 1ujx s LEU 100 N -3.91 0.52 -0.52 3.92 2.96 -0.92 0.08 118.68 120.80 1ujx s LEU 100 Ca 0.36 -2.24 -0.26 0.00 -0.22 0.00 0.00 54.13 51.77 1ujx s LEU 100 Cb -0.07 0.14 -0.06 0.00 0.50 0.00 0.00 46.19 46.70 1ujx s LEU 100 CO 0.26 -0.22 2.30 -0.31 -1.32 0.00 0.00 176.35 177.06 1ujx s TYR 101 N 0.83 1.19 0.15 5.38 2.02 -0.43 -2.79 117.35 123.70 1ujx s TYR 101 Ca 0.24 1.43 -0.26 0.00 -0.37 0.00 0.00 57.07 58.11 1ujx s TYR 101 Cb -0.09 -3.68 -0.02 0.00 -0.40 0.00 0.00 41.96 37.77 1ujx s TYR 101 CO -0.08 -2.46 1.39 1.28 -1.57 0.00 0.00 175.55 174.11 1ujx n LEU 102 N 15.38 -0.89 -3.85 -1.29 4.77 -0.96 -3.34 117.00 126.83 1ujx n LEU 102 Ca 0.34 1.60 -0.08 0.00 -0.03 0.00 0.00 56.01 57.84 1ujx n LEU 102 Cb 0.54 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 1ujx n LEU 102 CO 0.71 -1.32 0.48 0.54 -1.33 0.00 0.00 177.39 176.46 1ujx s VAL 103 N -5.52 0.00 -1.67 4.08 0.11 -1.24 -4.64 120.40 111.51 1ujx s VAL 103 Ca -0.11 -1.02 -0.10 0.00 -2.93 0.00 0.00 61.98 57.81 1ujx s VAL 103 Cb 0.11 -2.29 0.10 0.00 -1.53 0.00 0.00 36.38 32.78 1ujx s VAL 103 CO 0.57 0.00 0.26 0.59 -3.33 0.00 0.00 175.10 173.19 1ujx n ASN 104 N -0.76 -0.26 -2.25 3.54 5.03 -1.26 0.16 115.26 119.46 1ujx n ASN 104 Ca -0.05 -1.25 -0.01 0.00 0.87 0.00 0.00 54.58 54.14 1ujx n ASN 104 Cb 0.59 -1.57 -0.00 0.00 -1.02 0.00 0.00 39.78 37.78 1ujx n ASN 104 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ujx n GLY 105 N -1.90 -0.42 0.76 7.41 0.00 -1.26 -4.81 105.19 104.96 1ujx n GLY 105 Ca -0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.16 0.00 -4.01 0.99 4.77 0.43 -4.86 117.00 112.15 1ujx n LEU 106 Ca 0.00 -0.67 -0.44 0.00 -0.03 0.00 0.00 56.01 54.87 1ujx n LEU 106 Cb 0.43 0.11 0.02 0.00 -2.33 0.00 0.00 43.42 41.65 1ujx n LEU 106 CO 0.02 -0.10 -0.15 -1.22 -1.33 0.00 0.00 177.39 174.61 1ujx n TYR 107 N -0.25 -1.49 -2.48 -1.77 4.01 -1.26 -2.43 117.16 111.49 1ujx n TYR 107 Ca -0.04 0.14 -0.41 0.00 -0.16 0.00 0.00 57.90 57.43 1ujx n TYR 107 Cb 0.13 -2.89 -0.04 0.00 -0.31 0.00 0.00 39.34 36.24 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 -7.16 4.54 -0.30 -0.72 0.04 -1.26 -2.25 135.00 127.89 1ujx s PRO 108 Ca 0.49 1.74 -0.05 0.00 0.04 0.00 0.00 61.00 63.21 1ujx s PRO 108 Cb -0.25 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.02 1ujx s PRO 108 CO 0.95 -0.03 0.05 -0.51 0.04 0.00 0.00 177.00 177.51 1ujx s LEU 109 N 0.02 3.84 -0.22 -3.56 2.01 -1.12 -4.67 118.68 114.98 1ujx s LEU 109 Ca 0.52 -0.90 -0.24 0.00 0.01 0.00 0.00 54.13 53.52 1ujx s LEU 109 Cb -0.29 -1.82 -0.01 0.00 0.01 0.00 0.00 46.19 44.08 1ujx s LEU 109 CO 0.34 -0.22 0.80 -0.89 1.01 0.00 0.00 176.35 177.39 1ujx s THR 110 N 1.42 4.87 -0.08 5.49 2.01 -1.21 -2.17 115.64 125.96 1ujx s THR 110 Ca 0.00 1.53 -0.30 0.00 0.31 0.00 0.00 61.69 63.23 1ujx s THR 110 Cb -0.18 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 1ujx s THR 110 CO 0.01 -0.03 1.18 -0.22 -0.69 0.00 0.00 174.62 174.86 1ujx s LEU 111 N 2.60 4.25 0.28 4.42 2.96 -0.86 0.12 118.68 132.46 1ujx s LEU 111 Ca 0.35 1.74 0.09 0.00 -0.22 0.00 0.00 54.13 56.09 1ujx s LEU 111 Cb -0.16 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.93 1ujx s LEU 111 CO 0.09 -0.59 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.26 1ujx s ARG 112 N 2.39 1.60 -0.06 1.98 1.81 0.32 0.07 118.95 127.07 1ujx s ARG 112 Ca 0.54 -1.77 0.01 0.00 -1.72 0.00 0.00 55.73 52.80 1ujx s ARG 112 Cb -0.23 -1.46 0.02 0.00 -0.45 0.00 0.00 34.95 32.83 1ujx s ARG 112 CO 0.20 0.19 -0.07 -0.46 -0.68 0.00 0.00 175.30 174.47 1ujx s TRP 113 N -2.75 1.02 0.15 -0.53 -0.11 -1.26 -1.30 118.94 114.16 1ujx s TRP 113 Ca 0.29 -0.34 -0.30 0.00 1.22 0.00 0.00 56.10 56.96 1ujx s TRP 113 Cb -0.00 -0.83 -0.07 0.00 -1.50 0.00 0.00 33.47 31.06 1ujx s TRP 113 CO 0.13 -0.24 1.11 0.45 -4.62 0.00 0.00 176.95 173.78 1ujx s SER 114 N 0.92 7.24 0.00 5.86 0.15 0.98 -4.85 113.70 124.00 1ujx s SER 114 Ca -0.11 2.07 0.00 0.00 0.70 0.00 0.00 55.95 58.61 1ujx s SER 114 Cb -0.15 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1ujx s SER 114 CO 0.01 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1ujx n GLY 115 N 2.26 1.96 3.79 9.45 0.00 -1.26 -3.35 105.19 118.04 1ujx n GLY 115 Ca 0.04 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.00 4.04 -0.30 1.61 0.04 -1.26 -5.04 135.00 132.09 1ujx s PRO 116 Ca 0.00 1.47 -0.16 0.00 0.04 0.00 0.00 61.00 62.35 1ujx s PRO 116 Cb 0.00 -2.40 0.18 0.00 0.04 0.00 0.00 34.50 32.32 1ujx s PRO 116 CO 0.00 -0.24 1.10 -1.12 0.04 0.00 0.00 177.00 176.78 1ujx s SER 117 N -1.69 -0.38 0.41 6.66 0.01 -1.26 -5.07 113.70 112.40 1ujx s SER 117 Ca 0.61 0.45 0.00 0.00 1.31 0.00 0.00 55.95 58.32 1ujx s SER 117 Cb -0.20 1.40 0.00 0.00 0.21 0.00 0.00 66.02 67.43 1ujx s SER 117 CO 0.25 -0.07 0.00 -0.24 0.41 0.00 0.00 173.24 173.59 1ujx n SER 118 N 4.94 -3.55 -0.94 2.44 2.88 -1.26 -5.31 113.62 112.81 1ujx n SER 118 Ca -0.08 0.79 0.12 0.00 -1.33 0.00 0.00 58.87 58.37 1ujx n SER 118 Cb 0.54 3.36 0.11 0.00 -0.75 0.00 0.00 64.21 67.47 1ujx n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42