#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgu s VAL 2 N 0.00 3.12 0.32 3.84 1.01 -1.26 -4.07 120.40 123.36 1jgu s VAL 2 Ca 0.00 -0.59 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 1jgu s VAL 2 Cb 0.00 -2.38 0.04 0.00 0.00 0.00 0.00 36.38 34.04 1jgu s VAL 2 CO 0.00 0.46 0.79 -1.59 0.00 0.00 0.00 175.10 174.76 1jgu s LYS 3 N 1.20 1.94 -0.16 2.72 -2.85 -0.25 -5.03 119.74 117.31 1jgu s LYS 3 Ca 0.02 -1.18 0.01 0.00 -1.00 0.00 0.00 55.97 53.83 1jgu s LYS 3 Cb -0.14 0.59 0.02 0.00 -2.06 0.00 0.00 37.83 36.23 1jgu s LYS 3 CO -0.03 -0.90 -0.19 -0.51 0.10 0.00 0.00 175.35 173.83 1jgu s LEU 4 N -3.03 2.00 -0.42 2.77 1.43 -1.26 -1.06 118.68 119.11 1jgu s LEU 4 Ca 0.14 -0.59 -0.19 0.00 -1.03 0.00 0.00 54.13 52.46 1jgu s LEU 4 Cb -0.05 -1.38 0.02 0.00 0.03 0.00 0.00 46.19 44.81 1jgu s LEU 4 CO 0.09 -0.00 0.53 -0.69 0.23 0.00 0.00 176.35 176.51 1jgu s VAL 5 N 1.25 4.98 0.44 -1.59 1.01 -0.28 -4.40 120.40 121.80 1jgu s VAL 5 Ca 0.02 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 1jgu s VAL 5 Cb -0.13 -4.09 -0.07 0.00 0.00 0.00 0.00 36.38 32.09 1jgu s VAL 5 CO -0.10 -0.46 0.83 -1.83 0.00 0.00 0.00 175.10 173.54 1jgu s GLU 6 N 2.44 3.83 0.75 2.72 1.03 -1.26 -0.94 118.70 127.27 1jgu s GLU 6 Ca 0.17 0.61 -0.06 0.00 0.03 0.00 0.00 54.97 55.72 1jgu s GLU 6 Cb -0.16 -2.32 0.10 0.00 -0.80 0.00 0.00 34.13 30.96 1jgu s GLU 6 CO 0.16 -0.10 1.05 -1.54 -1.33 0.00 0.00 175.26 173.49 1jgu s SER 7 N -3.13 4.38 0.50 0.83 1.04 1.00 -4.95 113.70 113.37 1jgu s SER 7 Ca 0.53 0.16 -0.19 0.00 0.48 0.00 0.00 55.95 56.93 1jgu s SER 7 Cb -0.10 -0.63 -0.08 0.00 0.10 0.00 0.00 66.02 65.31 1jgu s SER 7 CO 0.31 -1.87 1.01 -0.13 0.98 0.00 0.00 173.24 173.55 1jgu s ARG 8 N -5.31 3.82 0.00 4.02 3.00 -1.26 -4.84 118.95 118.38 1jgu s ARG 8 Ca 0.64 1.20 0.00 0.00 0.00 0.00 0.00 55.73 57.57 1jgu s ARG 8 Cb -0.08 -2.11 0.00 0.00 0.00 0.00 0.00 34.95 32.76 1jgu s ARG 8 CO 0.46 -0.39 0.00 0.41 0.00 0.00 0.00 175.30 175.78 1jgu n GLY 9 N -0.74 1.38 0.00 -3.53 0.00 -1.26 -4.86 105.19 96.19 1jgu n GLY 9 Ca 0.08 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1jgu n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jgu n GLY 10 N 5.00 0.68 3.52 -0.02 0.00 -0.44 -5.01 105.19 108.92 1jgu n GLY 10 Ca 0.00 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 1jgu n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jgu s LEU 11 N 0.00 3.23 0.02 0.99 2.96 -1.26 -1.52 118.68 123.10 1jgu s LEU 11 Ca 0.00 -0.10 -0.00 0.00 -0.22 0.00 0.00 54.13 53.80 1jgu s LEU 11 Cb 0.00 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 1jgu s LEU 11 CO 0.00 0.21 -0.02 0.54 -1.32 0.00 0.00 176.35 175.76 1jgu s VAL 12 N 0.08 0.11 0.49 1.68 0.11 -0.17 -4.98 120.40 117.72 1jgu s VAL 12 Ca -0.01 -0.95 -0.13 0.00 -2.93 0.00 0.00 61.98 57.96 1jgu s VAL 12 Cb -0.14 -0.33 -0.07 0.00 -1.53 0.00 0.00 36.38 34.32 1jgu s VAL 12 CO 0.03 -0.52 0.91 -0.54 -3.33 0.00 0.00 175.10 171.64 1jgu s LYS 13 N -1.58 3.82 0.27 1.54 1.02 -1.25 -1.44 119.74 122.11 1jgu s LYS 13 Ca -0.15 0.72 -0.30 0.00 0.02 0.00 0.00 55.97 56.26 1jgu s LYS 13 Cb -0.09 -2.23 -0.13 0.00 -0.52 0.00 0.00 37.83 34.86 1jgu s LYS 13 CO -0.01 -0.23 1.34 -2.30 -0.92 0.00 0.00 175.35 173.23 1jgu n PRO 14 N -1.67 1.98 -0.03 -1.68 -0.02 -1.26 -0.36 135.00 131.96 1jgu n PRO 14 Ca 0.05 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1jgu n PRO 14 Cb 0.54 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1jgu n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jgu n GLY 15 N 1.72 1.72 2.53 -1.23 0.00 0.25 -4.92 105.19 105.25 1jgu n GLY 15 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 1jgu n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jgu n GLY 16 N -2.00 -1.71 3.19 -0.02 0.00 0.51 -3.89 105.19 101.27 1jgu n GLY 16 Ca 0.00 -1.64 -0.15 0.00 0.00 0.00 0.00 46.02 44.23 1jgu n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jgu s SER 17 N -4.06 1.56 -0.20 1.61 0.01 -1.26 -1.86 113.70 109.50 1jgu s SER 17 Ca 0.50 -0.80 -0.27 0.00 1.31 0.00 0.00 55.95 56.69 1jgu s SER 17 Cb -0.02 -0.01 0.08 0.00 0.21 0.00 0.00 66.02 66.28 1jgu s SER 17 CO 0.36 -0.23 0.76 -0.22 0.41 0.00 0.00 173.24 174.32 1jgu s LEU 18 N -2.40 -0.67 -0.11 2.44 2.96 0.87 -4.99 118.68 116.78 1jgu s LEU 18 Ca 0.06 1.11 0.04 0.00 -0.22 0.00 0.00 54.13 55.11 1jgu s LEU 18 Cb -0.04 2.39 0.00 0.00 0.50 0.00 0.00 46.19 49.05 1jgu s LEU 18 CO 0.01 -0.35 -0.24 -1.58 -1.32 0.00 0.00 176.35 172.87 1jgu s GLN 19 N -0.19 3.04 0.27 1.98 0.74 -1.26 0.02 119.66 124.26 1jgu s GLN 19 Ca -0.03 -0.87 0.08 0.00 0.05 0.00 0.00 55.36 54.58 1jgu s GLN 19 Cb -0.03 -2.32 -0.04 0.00 1.10 0.00 0.00 33.01 31.72 1jgu s GLN 19 CO 0.03 0.15 0.16 -0.51 -0.55 0.00 0.00 175.29 174.56 1jgu s LEU 20 N 0.43 3.62 0.14 3.68 1.43 -0.42 -4.96 118.68 122.60 1jgu s LEU 20 Ca -0.17 -0.40 -0.20 0.00 -1.03 0.00 0.00 54.13 52.34 1jgu s LEU 20 Cb -0.18 -2.16 0.05 0.00 0.03 0.00 0.00 46.19 43.94 1jgu s LEU 20 CO 0.07 -0.08 0.51 -0.94 0.23 0.00 0.00 176.35 176.14 1jgu s SER 21 N -3.82 -0.42 -0.07 2.29 1.04 -1.26 -1.43 113.70 110.04 1jgu s SER 21 Ca 0.34 -0.13 -0.03 0.00 0.48 0.00 0.00 55.95 56.61 1jgu s SER 21 Cb -0.07 0.54 0.04 0.00 0.10 0.00 0.00 66.02 66.63 1jgu s SER 21 CO 0.24 -0.91 0.15 0.00 0.98 0.00 0.00 173.24 173.70 1jgu s ALA 23 N 1.06 3.58 0.41 0.00 0.00 -0.11 -0.37 121.76 126.33 1jgu s ALA 23 Ca -0.08 -0.71 -0.24 0.00 0.00 0.00 0.00 51.96 50.93 1jgu s ALA 23 Cb -0.10 -1.93 -0.08 0.00 0.00 0.00 0.00 23.12 21.00 1jgu s ALA 23 CO -0.05 0.35 1.11 0.00 0.00 0.00 0.00 175.76 177.17 1jgu s ALA 24 N -0.19 3.08 -0.27 0.00 0.00 -0.67 -1.13 121.76 122.59 1jgu s ALA 24 Ca 0.09 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 52.84 1jgu s ALA 24 Cb -0.12 -3.33 0.09 0.00 0.00 0.00 0.00 23.12 19.77 1jgu s ALA 24 CO 0.01 -0.40 0.12 0.45 0.00 0.00 0.00 175.76 175.94 1jgu s SER 25 N -1.39 3.37 0.00 0.00 0.15 -0.22 -4.81 113.70 110.80 1jgu s SER 25 Ca 0.59 -1.20 0.00 0.00 0.70 0.00 0.00 55.95 56.04 1jgu s SER 25 Cb -0.26 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 1jgu s SER 25 CO 0.32 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1jgu n GLY 26 N 5.22 0.67 3.80 9.45 0.00 -1.26 -1.09 105.19 121.98 1jgu n GLY 26 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 1jgu n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1jgu s PHE 27 N -2.00 0.04 0.09 1.61 -0.71 -1.26 -4.83 117.98 110.92 1jgu s PHE 27 Ca 0.00 -0.58 0.10 0.00 -1.04 0.00 0.00 56.93 55.40 1jgu s PHE 27 Cb 0.00 0.70 -0.03 0.00 -1.21 0.00 0.00 43.02 42.47 1jgu s PHE 27 CO 0.00 -1.37 -0.25 0.99 -1.34 0.00 0.00 175.22 173.25 1jgu s THR 28 N -3.17 2.05 0.26 -4.49 2.01 -1.26 -4.83 115.64 106.21 1jgu s THR 28 Ca 0.15 -1.56 0.36 0.00 0.31 0.00 0.00 61.69 60.94 1jgu s THR 28 Cb -0.05 -1.80 0.40 0.00 0.01 0.00 0.00 72.50 71.05 1jgu s THR 28 CO 0.10 0.14 2.08 -0.26 -0.69 0.00 0.00 174.62 175.99 1jgu h PHE 29 N 4.26 0.00 -1.48 4.92 0.04 -1.93 -3.44 116.94 119.31 1jgu h PHE 29 Ca -0.48 0.00 -0.70 0.00 2.80 0.00 0.00 57.97 59.59 1jgu h PHE 29 Cb 1.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1jgu h PHE 29 CO 0.56 0.02 1.10 0.45 -0.60 0.00 0.00 178.31 179.84 1jgu n SER 30 N -3.13 2.50 0.00 2.17 2.88 -1.26 0.01 113.62 116.78 1jgu n SER 30 Ca -0.00 0.86 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 1jgu n SER 30 Cb 0.25 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1jgu n SER 30 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jgu n GLY 31 N 4.98 0.57 3.66 0.46 0.00 -1.26 -5.07 105.19 108.54 1jgu n GLY 31 Ca 0.31 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.05 1jgu n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jgu s TYR 32 N -2.18 2.86 -0.90 1.61 1.51 0.10 -4.07 117.35 116.28 1jgu s TYR 32 Ca 0.00 -0.12 -0.15 0.00 -1.01 0.00 0.00 57.07 55.79 1jgu s TYR 32 Cb 0.00 -1.41 0.20 0.00 -0.11 0.00 0.00 41.96 40.63 1jgu s TYR 32 CO 0.00 0.50 0.94 0.00 -1.11 0.00 0.00 175.55 175.88 1jgu s ALA 33 N -1.60 3.93 0.18 3.71 0.00 0.71 -4.43 121.76 124.26 1jgu s ALA 33 Ca 0.27 -3.21 -0.31 0.00 0.00 0.00 0.00 51.96 48.70 1jgu s ALA 33 Cb -0.10 -3.71 -0.10 0.00 0.00 0.00 0.00 23.12 19.21 1jgu s ALA 33 CO 0.18 -2.50 1.51 -1.64 0.00 0.00 0.00 175.76 173.30 1jgu s MET 34 N 0.84 4.24 0.21 0.00 -1.94 -1.06 -1.17 119.30 120.42 1jgu s MET 34 Ca 0.25 2.30 -0.00 0.00 -1.71 0.00 0.00 55.69 56.52 1jgu s MET 34 Cb -0.08 -3.16 -0.04 0.00 2.01 0.00 0.00 34.83 33.56 1jgu s MET 34 CO -0.09 -0.54 0.14 -1.12 -0.01 0.00 0.00 175.02 173.41 1jgu s SER 35 N 0.96 0.29 -0.00 3.03 0.01 0.03 -1.13 113.70 116.88 1jgu s SER 35 Ca 0.67 -1.41 0.06 0.00 1.31 0.00 0.00 55.95 56.58 1jgu s SER 35 Cb -0.42 0.38 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 1jgu s SER 35 CO 0.34 -0.85 -0.20 0.26 0.41 0.00 0.00 173.24 173.20 1jgu s TRP 36 N -4.10 1.77 0.22 2.43 0.52 0.39 -1.25 118.94 118.91 1jgu s TRP 36 Ca 0.39 -0.34 0.02 0.00 0.02 0.00 0.00 56.10 56.19 1jgu s TRP 36 Cb 0.07 -1.12 -0.05 0.00 -1.15 0.00 0.00 33.47 31.22 1jgu s TRP 36 CO 0.13 -0.01 0.04 -0.06 0.02 0.00 0.00 176.95 177.07 1jgu s PHE 37 N -0.53 1.39 -0.09 -1.98 0.40 0.11 -0.74 117.98 116.54 1jgu s PHE 37 Ca 0.07 -1.08 -0.15 0.00 -0.60 0.00 0.00 56.93 55.18 1jgu s PHE 37 Cb -0.08 -0.80 0.03 0.00 0.51 0.00 0.00 43.02 42.68 1jgu s PHE 37 CO -0.00 -0.24 0.38 -0.98 0.70 0.00 0.00 175.22 175.07 1jgu s ARG 38 N -3.96 0.57 -0.31 0.44 1.70 0.34 -0.74 118.95 116.98 1jgu s ARG 38 Ca 0.30 0.26 -0.09 0.00 -0.47 0.00 0.00 55.73 55.73 1jgu s ARG 38 Cb 0.07 0.27 -0.00 0.00 -0.57 0.00 0.00 34.95 34.71 1jgu s ARG 38 CO 0.09 -0.12 0.15 -1.17 -1.08 0.00 0.00 175.30 173.17 1jgu s LEU 39 N -0.44 4.12 0.81 -1.89 2.96 0.31 -0.20 118.68 124.35 1jgu s LEU 39 Ca -0.06 -0.57 -0.12 0.00 -0.22 0.00 0.00 54.13 53.17 1jgu s LEU 39 Cb -0.03 -1.99 0.08 0.00 0.50 0.00 0.00 46.19 44.74 1jgu s LEU 39 CO 0.02 -0.20 1.10 0.42 -1.32 0.00 0.00 176.35 176.37 1jgu s THR 40 N 1.60 2.93 0.53 3.68 -4.23 -0.37 -1.75 115.64 118.03 1jgu s THR 40 Ca 0.04 0.30 0.22 0.00 -1.18 0.00 0.00 61.69 61.07 1jgu s THR 40 Cb -0.17 -3.04 0.34 0.00 1.34 0.00 0.00 72.50 70.97 1jgu s THR 40 CO 0.06 -0.39 2.08 -0.65 -0.54 0.00 0.00 174.62 175.18 1jgu h PRO 41 N -1.15 0.00 0.00 3.99 0.11 -1.91 0.32 132.00 133.35 1jgu h PRO 41 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jgu h PRO 41 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1jgu h PRO 41 CO 0.59 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.77 1jgu n GLU 42 N -4.37 0.97 -2.23 1.05 4.71 -1.26 -4.89 120.64 114.61 1jgu n GLU 42 Ca 0.03 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.12 1jgu n GLU 42 Cb 0.34 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 29.30 1jgu n GLU 42 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1jgu n LYS 43 N -0.97 -0.78 -4.01 3.49 4.76 0.11 -5.04 118.16 115.72 1jgu n LYS 43 Ca 0.22 0.28 -0.35 0.00 -2.87 0.00 0.00 58.31 55.58 1jgu n LYS 43 Cb 0.10 -4.00 -0.08 0.00 -1.84 0.00 0.00 35.03 29.21 1jgu n LYS 43 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1jgu s ARG 44 N -4.48 3.67 -0.23 1.97 0.52 -1.25 -4.85 118.95 114.29 1jgu s ARG 44 Ca 0.03 -0.28 -0.21 0.00 -0.52 0.00 0.00 55.73 54.74 1jgu s ARG 44 Cb -0.01 -3.15 -0.02 0.00 0.52 0.00 0.00 34.95 32.28 1jgu s ARG 44 CO 0.04 0.50 0.67 -1.17 0.02 0.00 0.00 175.30 175.35 1jgu s LEU 45 N -0.26 4.10 0.01 2.53 2.96 -1.26 -1.24 118.68 125.52 1jgu s LEU 45 Ca 0.09 0.82 0.07 0.00 -0.22 0.00 0.00 54.13 54.89 1jgu s LEU 45 Cb -0.12 -2.94 -0.02 0.00 0.50 0.00 0.00 46.19 43.61 1jgu s LEU 45 CO 0.01 -0.36 -0.22 -1.61 -1.32 0.00 0.00 176.35 172.85 1jgu s GLU 46 N 2.35 1.65 0.14 1.98 2.02 0.72 -4.98 118.70 122.57 1jgu s GLU 46 Ca 0.29 -0.88 -0.27 0.00 0.02 0.00 0.00 54.97 54.13 1jgu s GLU 46 Cb -0.16 -1.68 -0.07 0.00 0.10 0.00 0.00 34.13 32.32 1jgu s GLU 46 CO 0.09 0.45 0.84 -0.46 0.02 0.00 0.00 175.26 176.19 1jgu s TRP 47 N -0.65 3.86 -0.16 1.61 -0.00 -1.26 -0.51 118.94 121.83 1jgu s TRP 47 Ca 0.09 1.68 -0.08 0.00 -0.00 0.00 0.00 56.10 57.78 1jgu s TRP 47 Cb -0.09 -2.87 -0.07 0.00 -0.00 0.00 0.00 33.47 30.44 1jgu s TRP 47 CO 0.00 0.39 -0.21 0.28 -0.00 0.00 0.00 176.95 177.42 1jgu n VAL 48 N 2.08 0.89 -3.55 5.86 0.31 0.08 -4.69 118.33 119.31 1jgu n VAL 48 Ca -0.03 -0.23 -0.07 0.00 -0.01 0.00 0.00 64.34 64.01 1jgu n VAL 48 Cb 0.49 -1.72 -0.02 0.00 -0.91 0.00 0.00 33.84 31.68 1jgu n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jgu s ALA 49 N -2.30 -1.90 0.02 3.52 0.00 -1.07 -0.95 121.76 119.08 1jgu s ALA 49 Ca -0.23 1.10 -0.08 0.00 0.00 0.00 0.00 51.96 52.75 1jgu s ALA 49 Cb 0.09 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.49 1jgu s ALA 49 CO 0.28 -0.70 0.16 -1.12 0.00 0.00 0.00 175.76 174.39 1jgu s SER 50 N -2.45 0.03 -0.05 0.00 0.01 -0.76 -0.46 113.70 110.01 1jgu s SER 50 Ca 0.07 -0.28 -0.02 0.00 1.31 0.00 0.00 55.95 57.04 1jgu s SER 50 Cb -0.01 0.24 0.03 0.00 0.21 0.00 0.00 66.02 66.50 1jgu s SER 50 CO -0.07 -0.45 0.05 -0.51 0.41 0.00 0.00 173.24 172.66 1jgu s ILE 51 N -1.91 0.02 -0.11 1.44 2.07 -0.28 -1.15 121.20 121.28 1jgu s ILE 51 Ca -0.10 0.32 0.02 0.00 -1.41 0.00 0.00 60.65 59.48 1jgu s ILE 51 Cb -0.05 -0.27 -0.01 0.00 0.13 0.00 0.00 42.46 42.27 1jgu s ILE 51 CO -0.01 0.18 -0.19 -0.47 -1.91 0.00 0.00 174.94 172.54 1jgu s TYR 52 N 2.11 2.67 -1.28 3.50 6.04 0.27 -2.58 117.35 128.09 1jgu s TYR 52 Ca 0.05 -0.88 -0.27 0.00 0.04 0.00 0.00 57.07 56.00 1jgu s TYR 52 Cb -0.12 -1.77 0.04 0.00 -1.04 0.00 0.00 41.96 39.07 1jgu s TYR 52 CO -0.04 -0.33 0.52 -1.71 -1.54 0.00 0.00 175.55 172.44 1jgu n ASN 53 N 3.53 -2.89 0.00 4.32 5.15 -1.26 -1.19 115.26 122.92 1jgu n ASN 53 Ca -0.19 -1.29 0.00 0.00 -0.60 0.00 0.00 54.58 52.50 1jgu n ASN 53 Cb 0.53 -1.56 0.00 0.00 -0.53 0.00 0.00 39.78 38.22 1jgu n ASN 53 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jgu n GLY 54 N -2.21 0.45 0.03 8.20 0.00 -1.26 -4.34 105.19 106.06 1jgu n GLY 54 Ca -0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.88 1jgu n GLY 54 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jgu n PHE 55 N 0.00 0.00 -2.49 1.61 3.01 -1.14 -4.78 117.46 113.67 1jgu n PHE 55 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.07 1jgu n PHE 55 Cb 0.00 -0.52 -0.03 0.00 -0.01 0.00 0.00 39.48 38.92 1jgu n PHE 55 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1jgu s ARG 56 N -2.82 3.42 -0.08 -1.08 1.81 -0.33 -4.92 118.95 114.95 1jgu s ARG 56 Ca -0.07 -0.92 0.03 0.00 -1.72 0.00 0.00 55.73 53.05 1jgu s ARG 56 Cb 0.08 -5.21 -0.02 0.00 -0.45 0.00 0.00 34.95 29.36 1jgu s ARG 56 CO 0.65 -2.34 -0.18 0.42 -0.68 0.00 0.00 175.30 173.17 1jgu s ILE 57 N 5.68 2.69 0.02 1.52 1.01 -1.26 0.96 121.20 131.83 1jgu s ILE 57 Ca 0.48 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1jgu s ILE 57 Cb -0.02 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.37 1jgu s ILE 57 CO -0.06 0.56 -0.04 -1.00 0.00 0.00 0.00 174.94 174.40 1jgu s HIS 58 N -0.15 0.31 0.06 3.97 3.76 -0.30 -5.00 115.29 117.93 1jgu s HIS 58 Ca -0.02 -0.47 0.03 0.00 -0.15 0.00 0.00 55.06 54.45 1jgu s HIS 58 Cb -0.14 -0.21 -0.03 0.00 1.11 0.00 0.00 32.58 33.31 1jgu s HIS 58 CO 0.04 -0.15 -0.09 0.71 -0.85 0.00 0.00 174.74 174.40 1jgu s TYR 59 N -1.29 0.84 0.34 1.40 2.02 -1.26 -1.83 117.35 117.56 1jgu s TYR 59 Ca -0.13 -0.58 -0.27 0.00 -0.37 0.00 0.00 57.07 55.72 1jgu s TYR 59 Cb -0.09 -0.48 -0.09 0.00 -0.40 0.00 0.00 41.96 40.89 1jgu s TYR 59 CO -0.01 -0.06 1.15 -1.17 -1.57 0.00 0.00 175.55 173.89 1jgu s LEU 60 N -1.95 4.38 0.18 -1.29 2.96 -0.13 -4.89 118.68 117.93 1jgu s LEU 60 Ca -0.03 2.33 -0.15 0.00 -0.22 0.00 0.00 54.13 56.05 1jgu s LEU 60 Cb -0.07 -3.81 0.14 0.00 0.50 0.00 0.00 46.19 42.95 1jgu s LEU 60 CO -0.00 -0.40 1.67 0.44 -1.32 0.00 0.00 176.35 176.74 1jgu h ASP 61 N 3.24 -0.30 0.00 3.68 3.45 -1.95 -1.72 116.42 122.82 1jgu h ASP 61 Ca -0.48 0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.10 1jgu h ASP 61 Cb 1.22 0.23 0.00 0.00 -0.56 0.00 0.00 39.33 40.23 1jgu h ASP 61 CO 0.65 -0.11 0.19 0.77 -1.57 0.00 0.00 179.24 179.17 1jgu h SER 62 N 0.05 0.00 -0.01 6.45 4.64 -1.98 -2.00 113.55 120.70 1jgu h SER 62 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1jgu h SER 62 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1jgu h SER 62 CO -0.42 0.00 -0.04 1.33 -0.87 0.00 0.00 176.83 176.83 1jgu n VAL 63 N -2.53 0.00 -1.73 0.95 0.24 -0.68 -4.96 118.33 109.62 1jgu n VAL 63 Ca -0.02 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.34 61.38 1jgu n VAL 63 Cb 0.23 1.09 -0.02 0.00 -1.47 0.00 0.00 33.84 33.67 1jgu n VAL 63 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1jgu n LYS 64 N 0.01 2.61 -0.54 7.34 5.02 -0.76 -1.32 118.16 130.51 1jgu n LYS 64 Ca 0.03 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.25 1jgu n LYS 64 Cb 0.12 -2.71 0.00 0.00 -0.02 0.00 0.00 35.03 32.42 1jgu n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jgu n GLY 65 N 2.55 1.32 0.12 0.72 0.00 -1.26 -4.78 105.19 103.85 1jgu n GLY 65 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1jgu n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jgu n ARG 66 N -2.00 0.00 -4.22 1.61 1.74 -0.44 -4.99 116.66 108.36 1jgu n ARG 66 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1jgu n ARG 66 Cb 0.00 -0.85 -0.08 0.00 -1.02 0.00 0.00 32.46 30.50 1jgu n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1jgu s PHE 67 N -1.82 3.29 -0.10 -1.55 0.40 -0.61 -0.91 117.98 116.69 1jgu s PHE 67 Ca 0.00 0.29 0.01 0.00 -0.60 0.00 0.00 56.93 56.63 1jgu s PHE 67 Cb 0.00 -1.84 0.02 0.00 0.51 0.00 0.00 43.02 41.71 1jgu s PHE 67 CO 0.00 0.55 -0.11 0.95 0.70 0.00 0.00 175.22 177.31 1jgu s THR 68 N -0.92 1.22 -0.17 0.64 -4.23 0.05 -4.83 115.64 107.41 1jgu s THR 68 Ca 0.14 -0.46 -0.08 0.00 -1.18 0.00 0.00 61.69 60.10 1jgu s THR 68 Cb -0.12 -1.16 -0.04 0.00 1.34 0.00 0.00 72.50 72.52 1jgu s THR 68 CO 0.03 0.39 0.11 -0.51 -0.54 0.00 0.00 174.62 174.10 1jgu s ILE 69 N 1.19 5.24 0.09 2.99 2.07 -1.26 -0.55 121.20 130.98 1jgu s ILE 69 Ca -0.04 0.12 -0.05 0.00 -1.41 0.00 0.00 60.65 59.28 1jgu s ILE 69 Cb -0.14 -3.35 -0.02 0.00 0.13 0.00 0.00 42.46 39.08 1jgu s ILE 69 CO -0.03 0.50 0.10 -0.94 -1.91 0.00 0.00 174.94 172.66 1jgu s SER 70 N -0.05 0.27 -0.01 4.50 1.04 -0.89 -4.98 113.70 113.59 1jgu s SER 70 Ca 0.09 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1jgu s SER 70 Cb -0.12 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.31 1jgu s SER 70 CO 0.00 -0.71 0.00 -0.55 0.98 0.00 0.00 173.24 172.97 1jgu s SER 71 N -2.93 0.08 -0.90 7.02 0.15 -1.26 -0.62 113.70 115.23 1jgu s SER 71 Ca 0.11 0.00 -0.11 0.00 0.70 0.00 0.00 55.95 56.66 1jgu s SER 71 Cb 0.06 -0.03 0.23 0.00 -1.71 0.00 0.00 66.02 64.57 1jgu s SER 71 CO -0.07 -0.03 0.84 -0.62 1.20 0.00 0.00 173.24 174.57 1jgu s ASP 72 N 0.27 6.73 0.00 5.45 -1.08 -0.53 -4.89 116.67 122.63 1jgu s ASP 72 Ca -0.02 -3.07 0.03 0.00 -0.52 0.00 0.00 52.55 48.98 1jgu s ASP 72 Cb -0.04 -2.15 0.15 0.00 -1.46 0.00 0.00 42.92 39.42 1jgu s ASP 72 CO -0.01 -0.44 1.08 -1.22 0.52 0.00 0.00 175.17 175.11 1jgu n TYR 73 N 3.41 0.00 0.00 -5.34 4.02 -1.26 0.19 117.16 118.18 1jgu n TYR 73 Ca 0.17 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.85 1jgu n TYR 73 Cb 0.43 -0.47 -0.14 0.00 -0.02 0.00 0.00 39.34 39.15 1jgu n TYR 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jgu h ALA 74 N 2.13 0.13 0.00 -0.72 0.00 -1.97 -3.36 119.26 115.46 1jgu h ALA 74 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1jgu h ALA 74 Cb 0.06 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1jgu h ALA 74 CO 0.00 0.70 -1.10 0.54 0.00 0.00 0.00 179.25 179.39 1jgu n ARG 75 N -4.03 0.20 -3.03 0.00 1.74 -0.75 -5.01 116.66 105.78 1jgu n ARG 75 Ca -0.23 -0.03 -0.10 0.00 -0.77 0.00 0.00 57.85 56.72 1jgu n ARG 75 Cb 0.85 -1.54 0.05 0.00 -1.02 0.00 0.00 32.46 30.80 1jgu n ARG 75 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1jgu n ASN 76 N -1.78 -6.46 -3.92 0.55 3.02 0.51 -4.79 115.26 102.39 1jgu n ASN 76 Ca 0.02 -0.49 -0.21 0.00 -0.03 0.00 0.00 54.58 53.88 1jgu n ASN 76 Cb 0.40 -4.79 -0.16 0.00 -0.61 0.00 0.00 39.78 34.62 1jgu n ASN 76 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jgu s ILE 77 N -3.26 0.65 -0.12 2.41 1.01 -1.13 -1.67 121.20 119.09 1jgu s ILE 77 Ca 0.31 -0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.69 1jgu s ILE 77 Cb -0.04 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 1jgu s ILE 77 CO 0.67 0.25 0.14 -0.22 0.00 0.00 0.00 174.94 175.78 1jgu s LEU 78 N 0.81 4.39 0.11 2.97 2.96 0.50 -1.45 118.68 128.96 1jgu s LEU 78 Ca -0.12 0.47 0.08 0.00 -0.22 0.00 0.00 54.13 54.35 1jgu s LEU 78 Cb -0.14 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1jgu s LEU 78 CO 0.01 0.40 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.93 1jgu s TYR 79 N -1.00 1.80 -0.25 5.38 2.02 0.21 -1.28 117.35 124.22 1jgu s TYR 79 Ca 0.15 -0.42 -0.03 0.00 -0.37 0.00 0.00 57.07 56.40 1jgu s TYR 79 Cb -0.12 -0.97 0.08 0.00 -0.40 0.00 0.00 41.96 40.55 1jgu s TYR 79 CO 0.04 0.22 0.08 -1.17 -1.57 0.00 0.00 175.55 173.16 1jgu s LEU 80 N -2.00 1.28 -0.42 -1.29 2.96 -0.51 -2.09 118.68 116.60 1jgu s LEU 80 Ca 0.08 -1.18 -0.20 0.00 -0.22 0.00 0.00 54.13 52.61 1jgu s LEU 80 Cb -0.09 -0.59 0.02 0.00 0.50 0.00 0.00 46.19 46.03 1jgu s LEU 80 CO 0.05 -0.38 0.60 -1.58 -1.32 0.00 0.00 176.35 173.72 1jgu s GLN 81 N 1.87 3.34 -0.25 1.98 2.00 0.29 -1.30 119.66 127.59 1jgu s GLN 81 Ca 0.05 -0.35 -0.10 0.00 -2.00 0.00 0.00 55.36 52.96 1jgu s GLN 81 Cb -0.17 -3.92 -0.05 0.00 0.80 0.00 0.00 33.01 29.67 1jgu s GLN 81 CO -0.21 -0.92 0.16 -1.64 -0.50 0.00 0.00 175.29 172.18 1jgu s MET 82 N 2.68 4.03 0.19 1.67 -1.94 0.10 -0.77 119.30 125.27 1jgu s MET 82 Ca 0.21 -0.29 0.04 0.00 -1.71 0.00 0.00 55.69 53.95 1jgu s MET 82 Cb -0.15 -3.55 -0.05 0.00 2.01 0.00 0.00 34.83 33.09 1jgu s MET 82 CO 0.17 0.01 -0.06 -1.12 -0.01 0.00 0.00 175.02 174.01 1jgu s SER 82 N 1.20 1.91 -1.44 3.03 0.01 -0.08 -0.09 113.70 118.23 1jgu s SER 82 Ca 0.07 -1.11 -0.07 0.00 1.31 0.00 0.00 55.95 56.15 1jgu s SER 82 Cb -0.14 -0.02 0.04 0.00 0.21 0.00 0.00 66.02 66.11 1jgu s SER 82 CO 0.06 -0.40 0.60 0.41 0.41 0.00 0.00 173.24 174.32 1jgu n THR 82 N -0.33 -1.64 -1.66 1.44 -1.04 -0.99 -4.53 114.28 105.53 1jgu n THR 82 Ca -0.08 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.48 1jgu n THR 82 Cb 0.62 -2.80 -0.03 0.00 -1.82 0.00 0.00 70.33 66.30 1jgu n THR 82 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1jgu n LEU 82 N -3.99 2.93 -4.70 -4.42 4.77 -0.78 -4.52 117.00 106.30 1jgu n LEU 82 Ca -0.06 1.13 -0.23 0.00 -0.03 0.00 0.00 56.01 56.81 1jgu n LEU 82 Cb 0.58 -1.40 -0.07 0.00 -2.33 0.00 0.00 43.42 40.20 1jgu n LEU 82 CO 0.51 -0.53 -0.24 -0.13 -1.33 0.00 0.00 177.39 175.67 1jgu s ARG 83 N -0.11 2.29 0.27 3.23 0.52 -1.26 0.87 118.95 124.76 1jgu s ARG 83 Ca 0.71 -1.59 -0.04 0.00 -0.52 0.00 0.00 55.73 54.29 1jgu s ARG 83 Cb -0.68 -2.11 0.35 0.00 0.52 0.00 0.00 34.95 33.03 1jgu s ARG 83 CO 0.47 0.14 1.93 0.77 0.02 0.00 0.00 175.30 178.64 1jgu h SER 84 N 1.64 1.06 0.19 0.23 0.02 -1.95 -1.21 113.55 113.54 1jgu h SER 84 Ca -0.43 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1jgu h SER 84 Cb 1.25 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1jgu h SER 84 CO 0.64 0.75 0.00 -0.62 -1.14 0.00 0.00 176.83 176.46 1jgu n GLU 85 N -4.41 0.00 0.00 3.45 4.71 -1.26 -1.44 120.64 121.70 1jgu n GLU 85 Ca 0.12 0.39 0.13 0.00 -0.01 0.00 0.00 57.16 57.79 1jgu n GLU 85 Cb 0.05 -1.50 0.47 0.00 -1.01 0.00 0.00 31.44 29.45 1jgu n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1jgu n ASP 86 N -1.49 0.21 -4.70 1.62 8.00 -0.46 -4.85 116.55 114.88 1jgu n ASP 86 Ca 0.01 0.22 -0.43 0.00 0.71 0.00 0.00 54.79 55.31 1jgu n ASP 86 Cb 0.07 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 1jgu n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1jgu n THR 87 N -1.52 0.13 0.00 -3.53 -1.04 -0.52 -4.89 114.28 102.91 1jgu n THR 87 Ca 0.06 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1jgu n THR 87 Cb 0.34 -1.99 0.00 0.00 -1.82 0.00 0.00 70.33 66.86 1jgu n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jgu n ALA 88 N 4.53 0.00 -2.59 2.41 0.00 -0.51 -4.32 120.51 120.03 1jgu n ALA 88 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.22 1jgu n ALA 88 Cb 0.35 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.70 1jgu n ALA 88 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1jgu s MET 89 N -2.00 3.95 -0.00 0.00 -2.45 -0.71 -1.50 119.30 116.59 1jgu s MET 89 Ca 0.00 -0.16 -0.04 0.00 -1.25 0.00 0.00 55.69 54.24 1jgu s MET 89 Cb 0.00 -3.67 -0.04 0.00 1.25 0.00 0.00 34.83 32.37 1jgu s MET 89 CO 0.00 -0.25 0.21 0.71 1.05 0.00 0.00 175.02 176.75 1jgu s TYR 90 N 1.92 3.56 -0.00 4.11 1.51 0.12 -0.53 117.35 128.03 1jgu s TYR 90 Ca 0.11 0.43 0.01 0.00 -1.01 0.00 0.00 57.07 56.62 1jgu s TYR 90 Cb -0.16 -1.89 -0.00 0.00 -0.11 0.00 0.00 41.96 39.80 1jgu s TYR 90 CO 0.11 0.63 -0.04 0.71 -1.11 0.00 0.00 175.55 175.84 1jgu s TYR 91 N -1.32 0.40 0.07 2.71 2.02 0.08 0.22 117.35 121.53 1jgu s TYR 91 Ca 0.28 -0.09 0.02 0.00 -0.37 0.00 0.00 57.07 56.91 1jgu s TYR 91 Cb -0.13 -0.26 -0.04 0.00 -0.40 0.00 0.00 41.96 41.13 1jgu s TYR 91 CO 0.18 -0.01 0.13 0.00 -1.57 0.00 0.00 175.55 174.27 1jgu s SER 93 N -2.40 -0.43 -0.21 0.00 0.15 -0.38 -0.62 113.70 109.80 1jgu s SER 93 Ca 0.31 0.18 -0.10 0.00 0.70 0.00 0.00 55.95 57.05 1jgu s SER 93 Cb -0.12 0.48 -0.05 0.00 -1.71 0.00 0.00 66.02 64.62 1jgu s SER 93 CO 0.24 -0.70 0.13 0.00 1.20 0.00 0.00 173.24 174.11 1jgu s ARG 94 N -2.34 4.09 -0.20 5.44 1.70 -0.88 -0.79 118.95 125.97 1jgu s ARG 94 Ca -0.06 -0.27 -0.09 0.00 -0.47 0.00 0.00 55.73 54.84 1jgu s ARG 94 Cb -0.01 -3.43 -0.05 0.00 -0.57 0.00 0.00 34.95 30.90 1jgu s ARG 94 CO -0.01 0.19 0.11 0.20 -1.08 0.00 0.00 175.30 174.70 1jgu s GLY 95 N 0.67 1.99 -0.03 3.88 0.00 -0.31 -3.52 107.32 110.00 1jgu s GLY 95 Ca 0.07 -0.72 -0.30 0.00 0.00 0.00 0.00 44.72 43.77 1jgu s GLY 95 CO 0.01 0.12 1.56 -0.35 0.00 0.00 0.00 173.10 174.44 1jgu s ASP 96 N 0.40 6.73 0.53 1.64 -1.08 0.14 -0.21 116.67 124.81 1jgu s ASP 96 Ca 0.06 2.20 0.31 0.00 -0.52 0.00 0.00 52.55 54.61 1jgu s ASP 96 Cb -0.12 -2.55 1.26 0.00 -1.46 0.00 0.00 42.92 40.06 1jgu s ASP 96 CO -0.01 -0.85 1.95 0.00 0.52 0.00 0.00 175.17 176.78 1jgu h ALA 97 N 8.76 1.01 0.09 3.66 0.00 -1.90 0.21 119.26 131.09 1jgu h ALA 97 Ca -0.38 -0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.20 1jgu h ALA 97 Cb 1.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1jgu h ALA 97 CO 0.94 0.07 -1.44 1.88 0.00 0.00 0.00 179.25 180.70 1jgu h TYR 98 N 0.00 0.33 -0.00 0.00 0.99 -1.89 -3.39 116.97 113.00 1jgu h TYR 98 Ca -0.00 -0.24 0.00 0.00 2.00 0.00 0.00 58.73 60.49 1jgu h TYR 98 Cb 0.56 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.28 1jgu h TYR 98 CO 0.00 1.56 -0.73 0.43 -0.00 0.00 0.00 178.16 179.42 1jgu n SER 99 N -3.99 1.10 -3.21 3.88 7.64 -1.24 -5.01 113.62 112.80 1jgu n SER 99 Ca -0.27 -1.05 -0.22 0.00 1.01 0.00 0.00 58.87 58.33 1jgu n SER 99 Cb 0.86 0.86 0.06 0.00 -1.01 0.00 0.00 64.21 64.98 1jgu n SER 99 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1jgu n ARG 100 N -1.07 -6.43 -4.36 1.43 1.74 0.73 -5.00 116.66 103.70 1jgu n ARG 100 Ca 0.05 0.82 -0.25 0.00 -0.77 0.00 0.00 57.85 57.69 1jgu n ARG 100 Cb 0.31 -5.67 -0.09 0.00 -1.02 0.00 0.00 32.46 25.99 1jgu n ARG 100 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1jgu s TYR 100 N -3.24 2.54 -0.28 -1.55 -0.85 -1.25 -4.87 117.35 107.86 1jgu s TYR 100 Ca 0.45 -0.51 0.02 0.00 -0.52 0.00 0.00 57.07 56.52 1jgu s TYR 100 Cb -0.20 -1.61 0.07 0.00 0.38 0.00 0.00 41.96 40.60 1jgu s TYR 100 CO 0.56 0.43 -0.04 -0.06 -1.52 0.00 0.00 175.55 174.92 1jgu s PHE 100 N -2.57 3.04 -0.17 -3.49 0.40 -1.26 -0.68 117.98 113.24 1jgu s PHE 100 Ca 0.36 -2.30 -0.01 0.00 -0.60 0.00 0.00 56.93 54.39 1jgu s PHE 100 Cb 0.02 -2.07 -0.23 0.00 0.51 0.00 0.00 43.02 41.26 1jgu s PHE 100 CO 0.20 -0.87 0.16 -0.40 0.70 0.00 0.00 175.22 175.01 1jgu n ASP 101 N 4.48 1.85 -4.58 1.36 5.75 -1.23 -4.90 116.55 119.28 1jgu n ASP 101 Ca -0.08 0.09 -0.35 0.00 -0.01 0.00 0.00 54.79 54.44 1jgu n ASP 101 Cb 0.43 -0.53 -0.11 0.00 -1.03 0.00 0.00 41.12 39.88 1jgu n ASP 101 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1jgu s VAL 102 N -2.54 4.59 0.05 2.12 1.01 -1.26 -5.03 120.40 119.33 1jgu s VAL 102 Ca -0.25 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 61.70 1jgu s VAL 102 Cb 0.08 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 1jgu s VAL 102 CO 0.72 0.44 -0.18 0.26 0.00 0.00 0.00 175.10 176.34 1jgu s TRP 103 N 0.63 1.55 0.61 5.22 0.52 -1.26 -2.07 118.94 124.14 1jgu s TRP 103 Ca 0.03 -0.37 -0.09 0.00 0.02 0.00 0.00 56.10 55.69 1jgu s TRP 103 Cb -0.13 -0.92 -0.01 0.00 -1.15 0.00 0.00 33.47 31.26 1jgu s TRP 103 CO 0.02 0.07 0.97 0.20 0.02 0.00 0.00 176.95 178.23 1jgu s GLY 104 N -1.21 1.60 0.64 0.98 0.00 0.20 -4.54 107.32 105.00 1jgu s GLY 104 Ca 0.05 -0.41 -0.16 0.00 0.00 0.00 0.00 44.72 44.20 1jgu s GLY 104 CO 0.02 -0.13 1.12 0.00 0.00 0.00 0.00 173.10 174.11 1jgu s ALA 105 N -3.09 2.50 0.39 3.20 0.00 -1.26 -4.60 121.76 118.89 1jgu s ALA 105 Ca 0.54 0.63 -0.27 0.00 0.00 0.00 0.00 51.96 52.86 1jgu s ALA 105 Cb -0.11 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.57 1jgu s ALA 105 CO 0.49 -1.20 1.45 0.20 0.00 0.00 0.00 175.76 176.70 1jgu s GLY 106 N -2.36 2.94 -0.19 0.00 0.00 -1.26 -4.78 107.32 101.67 1jgu s GLY 106 Ca 0.69 1.51 -0.00 0.00 0.00 0.00 0.00 44.72 46.91 1jgu s GLY 106 CO 0.38 2.17 -0.15 -1.59 0.00 0.00 0.00 173.10 173.91 1jgu s THR 107 N -1.15 2.44 -0.06 0.90 2.01 0.13 -4.90 115.64 115.02 1jgu s THR 107 Ca 0.54 -0.82 -0.30 0.00 0.31 0.00 0.00 61.69 61.43 1jgu s THR 107 Cb -0.45 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.98 1jgu s THR 107 CO 0.60 0.50 1.02 -0.89 -0.69 0.00 0.00 174.62 175.16 1jgu s THR 108 N 1.34 4.76 -0.13 -0.82 2.01 -1.26 0.11 115.64 121.64 1jgu s THR 108 Ca 0.05 2.00 0.00 0.00 0.31 0.00 0.00 61.69 64.06 1jgu s THR 108 Cb -0.13 -4.29 0.02 0.00 0.01 0.00 0.00 72.50 68.11 1jgu s THR 108 CO -0.10 0.06 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.08 1jgu s VAL 109 N 1.63 1.42 -0.12 3.82 1.01 -0.56 -1.33 120.40 126.27 1jgu s VAL 109 Ca 0.50 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1jgu s VAL 109 Cb -0.20 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.84 1jgu s VAL 109 CO 0.22 0.43 -0.21 -0.89 0.00 0.00 0.00 175.10 174.66 1jgu s THR 110 N 1.46 1.92 -0.31 3.92 2.01 -0.58 -1.42 115.64 122.65 1jgu s THR 110 Ca 0.03 -0.91 -0.05 0.00 0.31 0.00 0.00 61.69 61.07 1jgu s THR 110 Cb -0.13 -1.70 0.03 0.00 0.01 0.00 0.00 72.50 70.71 1jgu s THR 110 CO -0.09 0.52 0.07 -0.69 -0.69 0.00 0.00 174.62 173.74 1jgu s VAL 111 N 0.73 3.65 0.05 3.82 1.01 -1.26 -1.00 120.40 127.41 1jgu s VAL 111 Ca -0.10 -0.99 -0.24 0.00 0.00 0.00 0.00 61.98 60.64 1jgu s VAL 111 Cb -0.16 -2.98 0.06 0.00 0.00 0.00 0.00 36.38 33.30 1jgu s VAL 111 CO 0.01 -0.04 0.57 -0.55 0.00 0.00 0.00 175.10 175.09 1jgu s SER 112 N 1.41 -0.51 0.08 3.32 0.15 -0.52 -4.61 113.70 113.02 1jgu s SER 112 Ca -0.00 0.24 0.25 0.00 0.70 0.00 0.00 55.95 57.13 1jgu s SER 112 Cb -0.18 0.52 0.42 0.00 -1.71 0.00 0.00 66.02 65.07 1jgu s SER 112 CO 0.01 -0.75 1.37 0.00 1.20 0.00 0.00 173.24 175.07 1jgu n ALA 113 N 0.32 3.08 -1.57 5.45 0.00 -1.26 -3.95 120.51 122.59 1jgu n ALA 113 Ca -0.18 -0.27 -0.37 0.00 0.00 0.00 0.00 53.44 52.62 1jgu n ALA 113 Cb 0.61 -1.17 0.07 0.00 0.00 0.00 0.00 19.45 18.96 1jgu n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jgu n ALA 114 N -1.72 0.26 -2.57 0.00 0.00 -1.26 -5.04 120.51 110.18 1jgu n ALA 114 Ca 0.04 -0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.18 1jgu n ALA 114 Cb 0.41 -2.16 -0.09 0.00 0.00 0.00 0.00 19.45 17.61 1jgu n ALA 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1jgu s LYS 115 N -3.08 2.05 -0.10 0.00 -2.85 -1.26 -5.06 119.74 109.44 1jgu s LYS 115 Ca 0.77 -1.44 -0.38 0.00 -1.00 0.00 0.00 55.97 53.92 1jgu s LYS 115 Cb -0.38 -2.07 -0.15 0.00 -2.06 0.00 0.00 37.83 33.17 1jgu s LYS 115 CO 0.46 0.38 1.62 2.41 0.10 0.00 0.00 175.35 180.32 1jgu n THR 116 N -0.46 0.22 -3.75 3.79 -1.04 -1.26 -4.70 114.28 107.07 1jgu n THR 116 Ca -0.08 -0.04 -0.19 0.00 -2.04 0.00 0.00 64.05 61.70 1jgu n THR 116 Cb 0.58 -1.19 -0.17 0.00 -1.82 0.00 0.00 70.33 67.72 1jgu n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1jgu s THR 117 N 2.40 0.02 0.41 12.58 2.01 0.57 -4.94 115.64 128.68 1jgu s THR 117 Ca 0.92 0.28 -0.24 0.00 0.31 0.00 0.00 61.69 62.95 1jgu s THR 117 Cb -0.96 -0.21 -0.08 0.00 0.01 0.00 0.00 72.50 71.26 1jgu s THR 117 CO 0.56 0.16 1.11 0.00 -0.69 0.00 0.00 174.62 175.76 1jgu s ALA 118 N 1.69 3.09 0.60 7.40 0.00 -1.26 -1.05 121.76 132.23 1jgu s ALA 118 Ca -0.01 0.83 -0.15 0.00 0.00 0.00 0.00 51.96 52.63 1jgu s ALA 118 Cb -0.13 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1jgu s ALA 118 CO -0.03 -0.39 1.04 -1.25 0.00 0.00 0.00 175.76 175.13 1jgu s PRO 119 N -2.44 3.39 -0.19 0.00 0.04 -1.26 -4.60 135.00 129.94 1jgu s PRO 119 Ca 0.58 1.10 -0.12 0.00 0.04 0.00 0.00 61.00 62.61 1jgu s PRO 119 Cb -0.26 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 1jgu s PRO 119 CO 0.33 -0.74 0.20 -1.12 0.04 0.00 0.00 177.00 175.70 1jgu s SER 120 N -3.05 6.30 -0.26 6.66 0.01 -0.46 -4.92 113.70 117.97 1jgu s SER 120 Ca 0.61 0.34 -0.05 0.00 1.31 0.00 0.00 55.95 58.17 1jgu s SER 120 Cb -0.14 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1jgu s SER 120 CO 0.39 0.14 0.01 -0.69 0.41 0.00 0.00 173.24 173.50 1jgu s VAL 121 N 0.43 3.56 -0.13 3.43 1.01 -1.26 -1.04 120.40 126.40 1jgu s VAL 121 Ca 0.11 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 1jgu s VAL 121 Cb -0.12 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1jgu s VAL 121 CO 0.00 0.23 -0.07 -0.31 0.00 0.00 0.00 175.10 174.96 1jgu s TYR 122 N 1.46 2.95 0.35 5.22 2.02 0.40 -4.97 117.35 124.78 1jgu s TYR 122 Ca 0.03 -0.32 -0.25 0.00 -0.37 0.00 0.00 57.07 56.16 1jgu s TYR 122 Cb -0.16 -1.87 -0.09 0.00 -0.40 0.00 0.00 41.96 39.43 1jgu s TYR 122 CO -0.01 0.00 1.01 -1.25 -1.57 0.00 0.00 175.55 173.74 1jgu s PRO 123 N 0.10 4.39 -0.37 -1.71 0.04 -1.26 -1.11 135.00 135.08 1jgu s PRO 123 Ca -0.02 1.48 0.01 0.00 0.04 0.00 0.00 61.00 62.51 1jgu s PRO 123 Cb -0.14 -2.72 0.10 0.00 0.04 0.00 0.00 34.50 31.78 1jgu s PRO 123 CO 0.03 0.07 0.11 -0.51 0.04 0.00 0.00 177.00 176.74 1jgu s LEU 124 N -2.26 4.94 0.01 -3.56 1.43 0.52 -4.88 118.68 114.88 1jgu s LEU 124 Ca 0.53 -2.10 -0.10 0.00 -1.03 0.00 0.00 54.13 51.43 1jgu s LEU 124 Cb -0.22 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 1jgu s LEU 124 CO 0.28 -0.44 0.34 0.00 0.23 0.00 0.00 176.35 176.76 1jgu s ALA 125 N 1.00 3.76 0.70 4.21 0.00 -1.26 -1.43 121.76 128.73 1jgu s ALA 125 Ca 0.10 -0.40 -0.16 0.00 0.00 0.00 0.00 51.96 51.50 1jgu s ALA 125 Cb -0.20 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.67 1jgu s ALA 125 CO -0.06 0.56 0.84 -2.30 0.00 0.00 0.00 175.76 174.80 1jgu n PRO 126 N 1.40 0.51 -2.08 0.00 -0.02 -1.26 -4.97 135.00 128.58 1jgu n PRO 126 Ca -0.12 0.22 -0.32 0.00 -2.02 0.00 0.00 63.50 61.26 1jgu n PRO 126 Cb 0.53 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1jgu n PRO 126 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1jgu s VAL 127 N -1.79 4.02 0.29 -1.45 -7.23 -1.26 -4.91 120.40 108.07 1jgu s VAL 127 Ca 0.72 0.92 -0.30 0.00 -1.81 0.00 0.00 61.98 61.52 1jgu s VAL 127 Cb -0.36 -3.48 -0.13 0.00 0.56 0.00 0.00 36.38 32.98 1jgu s VAL 127 CO 0.52 -0.60 1.37 0.00 -0.31 0.00 0.00 175.10 176.08 1jgu n GLY 129 N 1.49 0.78 0.00 0.00 0.00 -1.26 -4.85 105.19 101.35 1jgu n GLY 129 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1jgu n GLY 129 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jgu n ASP 130 N 0.00 0.98 0.00 1.61 10.43 -0.78 -4.52 116.55 124.28 1jgu n ASP 130 Ca 0.00 -1.04 0.15 0.00 2.57 0.00 0.00 54.79 56.47 1jgu n ASP 130 Cb 0.00 0.00 0.85 0.00 1.84 0.00 0.00 41.12 43.81 1jgu n ASP 130 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1jgu n THR 131 N -0.02 0.01 -0.48 -3.53 -2.24 -1.26 -4.75 114.28 102.01 1jgu n THR 131 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1jgu n THR 131 Cb 0.03 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 1jgu n THR 131 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jgu n THR 132 N -1.14 0.00 -0.33 4.28 -2.24 -1.26 -4.85 114.28 108.74 1jgu n THR 132 Ca 0.19 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.01 1jgu n THR 132 Cb 0.17 -0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 67.51 1jgu n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jgu n GLY 133 N 5.00 -2.23 0.26 3.38 0.00 -1.26 -4.38 105.19 105.96 1jgu n GLY 133 Ca 0.00 -1.40 0.13 0.00 0.00 0.00 0.00 46.02 44.75 1jgu n GLY 133 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jgu h SER 134 N -0.32 0.00 -5.14 1.61 4.64 -1.96 -3.39 113.55 108.99 1jgu h SER 134 Ca -0.02 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.17 1jgu h SER 134 Cb 0.31 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.23 1jgu h SER 134 CO 0.01 0.12 -0.60 -0.94 -0.87 0.00 0.00 176.83 174.55 1jgu s SER 135 N -6.10 0.31 0.05 4.97 1.04 -1.26 -1.84 113.70 110.87 1jgu s SER 135 Ca -0.02 -0.73 0.05 0.00 0.48 0.00 0.00 55.95 55.73 1jgu s SER 135 Cb 0.13 0.21 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 1jgu s SER 135 CO 0.58 -0.53 -0.15 0.54 0.98 0.00 0.00 173.24 174.66 1jgu s VAL 136 N -3.07 1.20 -0.11 5.02 0.11 0.82 -4.68 120.40 119.68 1jgu s VAL 136 Ca -0.01 -1.12 0.01 0.00 -2.93 0.00 0.00 61.98 57.94 1jgu s VAL 136 Cb 0.02 -1.10 -0.01 0.00 -1.53 0.00 0.00 36.38 33.76 1jgu s VAL 136 CO -0.07 -0.03 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.62 1jgu s THR 137 N -0.95 2.82 0.32 5.04 2.01 -1.26 -1.28 115.64 122.34 1jgu s THR 137 Ca 0.02 -0.76 0.09 0.00 0.31 0.00 0.00 61.69 61.36 1jgu s THR 137 Cb -0.09 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 1jgu s THR 137 CO 0.02 0.54 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.70 1jgu s LEU 138 N 0.20 2.94 0.24 4.42 2.01 0.65 -4.44 118.68 124.70 1jgu s LEU 138 Ca -0.10 -0.97 -0.04 0.00 0.01 0.00 0.00 54.13 53.03 1jgu s LEU 138 Cb -0.16 -1.34 -0.02 0.00 0.01 0.00 0.00 46.19 44.68 1jgu s LEU 138 CO 0.06 -0.17 0.29 -0.83 1.01 0.00 0.00 176.35 176.71 1jgu s GLY 139 N -3.67 1.24 -0.06 -3.19 0.00 -0.52 -0.85 107.32 100.27 1jgu s GLY 139 Ca 0.34 -1.46 -0.03 0.00 0.00 0.00 0.00 44.72 43.57 1jgu s GLY 139 CO 0.19 -1.13 0.13 0.00 0.00 0.00 0.00 173.10 172.29 1jgu s LEU 141 N 1.43 3.04 -0.38 0.00 2.96 -0.27 -1.35 118.68 124.12 1jgu s LEU 141 Ca -0.06 -0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 53.45 1jgu s LEU 141 Cb -0.12 -1.78 0.07 0.00 0.50 0.00 0.00 46.19 44.85 1jgu s LEU 141 CO -0.05 -0.01 0.18 -0.69 -1.32 0.00 0.00 176.35 174.45 1jgu s VAL 142 N 1.43 3.86 0.01 1.68 1.01 0.24 -0.46 120.40 128.18 1jgu s VAL 142 Ca 0.05 -1.38 0.07 0.00 0.00 0.00 0.00 61.98 60.72 1jgu s VAL 142 Cb -0.14 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 1jgu s VAL 142 CO -0.01 -0.38 -0.22 -0.75 0.00 0.00 0.00 175.10 173.73 1jgu s LYS 143 N 1.37 1.69 -0.65 2.72 2.20 -0.20 -0.36 119.74 126.50 1jgu s LYS 143 Ca 0.01 -0.88 -0.01 0.00 -0.36 0.00 0.00 55.97 54.74 1jgu s LYS 143 Cb -0.21 -1.71 0.00 0.00 -1.51 0.00 0.00 37.83 34.40 1jgu s LYS 143 CO 0.01 0.46 0.55 0.41 -0.36 0.00 0.00 175.35 176.42 1jgu n GLY 144 N 2.25 0.06 3.63 5.54 0.00 -0.56 -1.36 105.19 114.75 1jgu n GLY 144 Ca -0.16 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 1jgu n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jgu s TYR 145 N -3.18 2.62 -0.28 1.61 1.13 -0.85 -4.45 117.35 113.95 1jgu s TYR 145 Ca 0.08 -0.29 -0.22 0.00 -1.41 0.00 0.00 57.07 55.24 1jgu s TYR 145 Cb -0.04 -1.26 0.09 0.00 -1.10 0.00 0.00 41.96 39.65 1jgu s TYR 145 CO 0.38 0.58 0.82 0.12 -2.51 0.00 0.00 175.55 174.94 1jgu s PHE 146 N -2.39 -0.76 0.02 -3.49 5.36 -0.22 -0.76 117.98 115.75 1jgu s PHE 146 Ca 0.32 1.71 0.00 0.00 -0.96 0.00 0.00 56.93 58.00 1jgu s PHE 146 Cb -0.05 0.39 0.00 0.00 -0.34 0.00 0.00 43.02 43.02 1jgu s PHE 146 CO 0.19 -0.37 0.03 -0.35 -1.46 0.00 0.00 175.22 173.27 1jgu n PRO 147 N 3.07 0.70 -1.83 10.12 -0.04 -1.26 -0.31 135.00 145.45 1jgu n PRO 147 Ca -0.16 -0.09 -0.31 0.00 -0.04 0.00 0.00 63.50 62.90 1jgu n PRO 147 Cb 0.56 -0.02 0.02 0.00 -0.04 0.00 0.00 33.50 34.03 1jgu n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1jgu s GLU 148 N -2.36 3.40 0.24 0.54 2.02 -1.26 -4.78 118.70 116.50 1jgu s GLU 148 Ca 0.02 0.87 0.01 0.00 0.02 0.00 0.00 54.97 55.89 1jgu s GLU 148 Cb -0.00 -2.05 0.01 0.00 0.10 0.00 0.00 34.13 32.19 1jgu s GLU 148 CO 0.01 -0.73 0.10 -0.35 0.02 0.00 0.00 175.26 174.32 1jgu n PRO 149 N -2.72 1.26 -4.29 0.39 -0.04 -1.26 -4.98 135.00 123.36 1jgu n PRO 149 Ca 0.07 -1.63 -0.17 0.00 -0.04 0.00 0.00 63.50 61.73 1jgu n PRO 149 Cb 0.54 0.30 -0.10 0.00 -0.04 0.00 0.00 33.50 34.19 1jgu n PRO 149 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1jgu s VAL 150 N -1.51 1.44 -0.09 0.52 -7.23 -1.26 -4.41 120.40 107.86 1jgu s VAL 150 Ca 0.08 -2.07 0.04 0.00 -1.81 0.00 0.00 61.98 58.22 1jgu s VAL 150 Cb -0.01 -1.88 -0.00 0.00 0.56 0.00 0.00 36.38 35.05 1jgu s VAL 150 CO 0.05 -0.63 -0.23 0.42 -0.31 0.00 0.00 175.10 174.40 1jgu s THR 151 N -2.98 1.97 -0.02 5.32 -4.23 0.27 -4.96 115.64 111.02 1jgu s THR 151 Ca 0.18 -0.98 0.05 0.00 -1.18 0.00 0.00 61.69 59.76 1jgu s THR 151 Cb -0.00 -1.71 -0.01 0.00 1.34 0.00 0.00 72.50 72.12 1jgu s THR 151 CO 0.04 0.54 -0.17 -0.22 -0.54 0.00 0.00 174.62 174.27 1jgu s LEU 152 N 0.30 2.00 0.21 4.79 0.20 -1.26 -0.72 118.68 124.20 1jgu s LEU 152 Ca -0.17 -0.32 0.00 0.00 0.69 0.00 0.00 54.13 54.33 1jgu s LEU 152 Cb -0.17 -0.91 -0.04 0.00 -0.43 0.00 0.00 46.19 44.63 1jgu s LEU 152 CO 0.08 0.20 0.10 0.42 -0.29 0.00 0.00 176.35 176.85 1jgu s THR 153 N -0.28 0.27 -0.08 3.68 -4.23 -0.43 -4.99 115.64 109.57 1jgu s THR 153 Ca 0.04 -1.99 0.05 0.00 -1.18 0.00 0.00 61.69 58.61 1jgu s THR 153 Cb -0.08 -2.44 -0.00 0.00 1.34 0.00 0.00 72.50 71.31 1jgu s THR 153 CO 0.00 -0.11 -0.24 0.26 -0.54 0.00 0.00 174.62 173.99 1jgu s TRP 154 N -3.96 2.48 -1.56 3.99 0.52 -1.26 -0.93 118.94 118.23 1jgu s TRP 154 Ca 0.35 -0.92 -0.13 0.00 0.02 0.00 0.00 56.10 55.43 1jgu s TRP 154 Cb 0.07 -1.65 0.09 0.00 -1.15 0.00 0.00 33.47 30.84 1jgu s TRP 154 CO 0.10 -0.34 0.84 0.09 0.02 0.00 0.00 176.95 177.66 1jgu n ASN 155 N 3.32 -3.54 -2.93 2.95 4.13 0.17 -1.06 115.26 118.29 1jgu n ASN 155 Ca -0.19 -0.88 -0.20 0.00 1.68 0.00 0.00 54.58 54.99 1jgu n ASN 155 Cb 0.53 -3.45 0.01 0.00 -1.54 0.00 0.00 39.78 35.32 1jgu n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1jgu n SER 156 N -2.81 -4.76 0.00 6.41 7.64 -1.26 -1.66 113.62 117.18 1jgu n SER 156 Ca -0.01 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1jgu n SER 156 Cb 0.54 -3.93 0.00 0.00 -1.01 0.00 0.00 64.21 59.82 1jgu n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jgu n GLY 157 N -1.18 2.17 0.25 0.23 0.00 -0.23 -4.91 105.19 101.52 1jgu n GLY 157 Ca -0.10 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.95 1jgu n GLY 157 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jgu h SER 158 N 0.00 0.23 -3.42 1.61 0.02 -1.31 -3.33 113.55 107.36 1jgu h SER 158 Ca 0.00 -0.04 -0.75 0.00 -0.84 0.00 0.00 61.79 60.16 1jgu h SER 158 Cb 0.00 -0.06 -0.27 0.00 0.14 0.00 0.00 62.40 62.21 1jgu h SER 158 CO 0.00 0.33 -0.22 -0.22 -1.14 0.00 0.00 176.83 175.59 1jgu s LEU 159 N -8.90 6.08 -0.04 5.07 2.96 -1.10 -4.82 118.68 117.93 1jgu s LEU 159 Ca -0.06 -2.14 0.07 0.00 -0.22 0.00 0.00 54.13 51.79 1jgu s LEU 159 Cb 0.16 -2.11 -0.10 0.00 0.50 0.00 0.00 46.19 44.63 1jgu s LEU 159 CO 0.72 -0.70 0.09 -1.54 -1.32 0.00 0.00 176.35 173.61 1jgu n SER 160 N 4.68 3.26 -4.86 3.68 3.41 -1.25 -4.17 113.62 118.38 1jgu n SER 160 Ca -0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.25 1jgu n SER 160 Cb 0.42 1.00 -0.06 0.00 -0.26 0.00 0.00 64.21 65.30 1jgu n SER 160 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1jgu s SER 161 N -3.39 6.72 -0.83 4.04 0.15 -1.26 -4.11 113.70 115.01 1jgu s SER 161 Ca -0.03 1.10 0.00 0.00 0.70 0.00 0.00 55.95 57.72 1jgu s SER 161 Cb 0.03 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 1jgu s SER 161 CO 0.30 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1jgu n GLY 162 N -0.12 0.77 3.70 9.45 0.00 -1.26 -4.74 105.19 112.99 1jgu n GLY 162 Ca 0.01 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 1jgu n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jgu s VAL 163 N -2.33 4.25 -0.21 1.61 1.01 -1.26 -1.77 120.40 121.70 1jgu s VAL 163 Ca 0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 1jgu s VAL 163 Cb 0.00 -2.91 0.07 0.00 0.00 0.00 0.00 36.38 33.54 1jgu s VAL 163 CO 0.00 0.35 0.08 -1.00 0.00 0.00 0.00 175.10 174.53 1jgu s HIS 164 N -1.12 0.63 -0.25 5.22 3.76 -0.18 -4.99 115.29 118.36 1jgu s HIS 164 Ca 0.21 -0.72 -0.06 0.00 -0.15 0.00 0.00 55.06 54.33 1jgu s HIS 164 Cb -0.12 -0.93 -0.02 0.00 1.11 0.00 0.00 32.58 32.63 1jgu s HIS 164 CO 0.11 -0.63 0.04 0.99 -0.85 0.00 0.00 174.74 174.40 1jgu s THR 165 N 1.99 3.97 0.44 1.30 2.01 -1.26 -0.59 115.64 123.50 1jgu s THR 165 Ca 0.03 -0.37 -0.10 0.00 0.31 0.00 0.00 61.69 61.56 1jgu s THR 165 Cb -0.16 -2.89 -0.06 0.00 0.01 0.00 0.00 72.50 69.40 1jgu s THR 165 CO -0.15 0.31 0.80 -0.36 -0.69 0.00 0.00 174.62 174.53 1jgu s PHE 166 N 1.55 3.50 0.45 4.92 0.40 -0.17 -5.00 117.98 123.64 1jgu s PHE 166 Ca 0.05 1.03 -0.25 0.00 -0.60 0.00 0.00 56.93 57.17 1jgu s PHE 166 Cb -0.15 -2.45 -0.08 0.00 0.51 0.00 0.00 43.02 40.85 1jgu s PHE 166 CO 0.01 -0.20 1.36 -2.14 0.70 0.00 0.00 175.22 174.96 1jgu s PRO 167 N -4.15 3.69 0.65 0.24 0.02 -1.26 -4.39 135.00 129.81 1jgu s PRO 167 Ca 0.51 2.26 -0.15 0.00 0.02 0.00 0.00 61.00 63.63 1jgu s PRO 167 Cb -0.10 -2.61 -0.01 0.00 0.02 0.00 0.00 34.50 31.81 1jgu s PRO 167 CO 0.36 -0.76 1.12 0.00 -0.33 0.00 0.00 177.00 177.39 1jgu s ALA 168 N -1.26 2.48 0.09 -1.55 0.00 -1.26 -4.80 121.76 115.46 1jgu s ALA 168 Ca 0.62 0.60 0.04 0.00 0.00 0.00 0.00 51.96 53.21 1jgu s ALA 168 Cb -0.40 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.35 1jgu s ALA 168 CO 0.51 -1.25 -0.11 0.14 0.00 0.00 0.00 175.76 175.05 1jgu s VAL 169 N -2.26 1.00 0.15 0.00 -7.23 -0.13 -4.92 120.40 107.01 1jgu s VAL 169 Ca 0.68 -1.56 -0.16 0.00 -1.81 0.00 0.00 61.98 59.13 1jgu s VAL 169 Cb -0.21 -1.29 -0.07 0.00 0.56 0.00 0.00 36.38 35.37 1jgu s VAL 169 CO 0.40 -0.47 0.59 -0.76 -0.31 0.00 0.00 175.10 174.55 1jgu s LEU 170 N -2.27 4.37 -0.30 1.32 1.43 -1.26 -0.95 118.68 121.02 1jgu s LEU 170 Ca 0.04 1.17 -0.11 0.00 -1.03 0.00 0.00 54.13 54.20 1jgu s LEU 170 Cb -0.05 -3.27 0.15 0.00 0.03 0.00 0.00 46.19 43.05 1jgu s LEU 170 CO 0.01 0.12 0.76 0.00 0.23 0.00 0.00 176.35 177.47 1jgu s GLN 171 N -1.83 0.48 -1.13 1.70 -2.07 -0.10 -4.91 119.66 111.80 1jgu s GLN 171 Ca 0.37 1.14 -0.05 0.00 -1.82 0.00 0.00 55.36 55.01 1jgu s GLN 171 Cb -0.16 0.68 0.01 0.00 -1.09 0.00 0.00 33.01 32.45 1jgu s GLN 171 CO 0.19 -0.22 0.62 0.43 -1.32 0.00 0.00 175.29 174.99 1jgu n SER 172 N 5.31 -5.14 0.00 12.60 7.64 -1.26 -2.36 113.62 130.41 1jgu n SER 172 Ca -0.10 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.50 1jgu n SER 172 Cb 0.50 -3.90 0.00 0.00 -1.01 0.00 0.00 64.21 59.80 1jgu n SER 172 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1jgu n ASP 173 N -1.63 -3.36 -4.47 6.43 9.92 -1.26 -4.97 116.55 117.21 1jgu n ASP 173 Ca -0.05 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 53.96 1jgu n ASP 173 Cb 0.58 -2.48 -0.10 0.00 -0.64 0.00 0.00 41.12 38.47 1jgu n ASP 173 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1jgu s LEU 174 N 0.00 2.60 0.28 0.64 1.43 -1.00 -4.78 118.68 117.85 1jgu s LEU 174 Ca 0.00 -0.97 -0.10 0.00 -1.03 0.00 0.00 54.13 52.03 1jgu s LEU 174 Cb 0.00 -1.15 -0.07 0.00 0.03 0.00 0.00 46.19 45.00 1jgu s LEU 174 CO 0.00 0.05 0.61 -0.31 0.23 0.00 0.00 176.35 176.93 1jgu s TYR 175 N -2.33 3.43 -0.01 0.29 2.02 0.06 -0.93 117.35 119.88 1jgu s TYR 175 Ca 0.28 0.92 -0.00 0.00 -0.37 0.00 0.00 57.07 57.90 1jgu s TYR 175 Cb -0.06 -2.30 0.02 0.00 -0.40 0.00 0.00 41.96 39.21 1jgu s TYR 175 CO 0.14 0.18 0.02 0.99 -1.57 0.00 0.00 175.55 175.32 1jgu s THR 176 N -1.95 -0.03 0.08 -0.71 2.01 -0.12 -1.49 115.64 113.42 1jgu s THR 176 Ca 0.48 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.59 1jgu s THR 176 Cb -0.11 -0.06 -0.04 0.00 0.01 0.00 0.00 72.50 72.30 1jgu s THR 176 CO 0.23 0.04 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.95 1jgu s LEU 177 N 0.52 2.43 0.06 4.42 0.20 0.51 -0.96 118.68 125.87 1jgu s LEU 177 Ca -0.04 -1.03 -0.03 0.00 0.69 0.00 0.00 54.13 53.72 1jgu s LEU 177 Cb -0.06 0.08 -0.03 0.00 -0.43 0.00 0.00 46.19 45.75 1jgu s LEU 177 CO -0.02 -0.55 0.02 -0.94 -0.29 0.00 0.00 176.35 174.57 1jgu s SER 178 N -2.99 0.40 -0.07 3.68 1.04 -1.26 -0.59 113.70 113.91 1jgu s SER 178 Ca 0.11 -0.92 -0.10 0.00 0.48 0.00 0.00 55.95 55.52 1jgu s SER 178 Cb 0.07 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.44 1jgu s SER 178 CO -0.06 -0.63 0.25 -0.55 0.98 0.00 0.00 173.24 173.23 1jgu s SER 179 N -2.91 -0.22 0.12 7.02 0.15 -0.46 -1.00 113.70 116.40 1jgu s SER 179 Ca 0.07 0.37 0.09 0.00 0.70 0.00 0.00 55.95 57.18 1jgu s SER 179 Cb 0.07 0.46 -0.04 0.00 -1.71 0.00 0.00 66.02 64.81 1jgu s SER 179 CO -0.10 -0.18 -0.22 -0.94 1.20 0.00 0.00 173.24 172.99 1jgu s SER 180 N -0.27 2.79 -0.01 5.45 1.04 0.24 -0.83 113.70 122.10 1jgu s SER 180 Ca -0.04 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 55.68 1jgu s SER 180 Cb -0.03 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 65.93 1jgu s SER 180 CO 0.01 0.09 -0.02 0.54 0.98 0.00 0.00 173.24 174.84 1jgu s VAL 181 N -1.21 0.20 -0.12 5.02 0.11 -0.03 -1.01 120.40 123.36 1jgu s VAL 181 Ca 0.09 -0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.13 1jgu s VAL 181 Cb -0.10 -0.22 -0.01 0.00 -1.53 0.00 0.00 36.38 34.53 1jgu s VAL 181 CO 0.05 0.09 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.83 1jgu s THR 182 N 0.35 2.50 0.18 5.04 2.01 -0.73 -0.26 115.64 124.74 1jgu s THR 182 Ca -0.03 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.11 1jgu s THR 182 Cb -0.06 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 1jgu s THR 182 CO -0.01 0.54 0.06 0.68 -0.69 0.00 0.00 174.62 175.21 1jgu s VAL 183 N 0.38 0.35 0.34 3.82 -7.23 -0.40 -4.74 120.40 112.92 1jgu s VAL 183 Ca -0.15 -1.97 -0.28 0.00 -1.81 0.00 0.00 61.98 57.77 1jgu s VAL 183 Cb -0.17 -2.29 -0.10 0.00 0.56 0.00 0.00 36.38 34.38 1jgu s VAL 183 CO 0.07 -0.27 1.33 0.42 -0.31 0.00 0.00 175.10 176.34 1jgu s THR 184 N -3.89 2.61 0.65 5.32 -4.23 -1.26 -0.13 115.64 114.70 1jgu s THR 184 Ca 0.30 0.61 0.29 0.00 -1.18 0.00 0.00 61.69 61.71 1jgu s THR 184 Cb 0.07 -3.39 0.32 0.00 1.34 0.00 0.00 72.50 70.84 1jgu s THR 184 CO 0.07 0.14 1.91 0.77 -0.54 0.00 0.00 174.62 176.97 1jgu h SER 185 N 3.28 0.00 -0.02 3.99 4.64 -1.57 -1.54 113.55 122.33 1jgu h SER 185 Ca -0.49 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1jgu h SER 185 Cb 1.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1jgu h SER 185 CO 0.65 0.00 -0.00 0.28 -0.87 0.00 0.00 176.83 176.89 1jgu h SER 186 N 0.00 0.03 0.00 4.97 0.02 -1.89 -3.36 113.55 113.32 1jgu h SER 186 Ca 0.05 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1jgu h SER 186 Cb 0.80 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1jgu h SER 186 CO -0.00 0.38 0.00 0.41 -1.14 0.00 0.00 176.83 176.48 1jgu n THR 187 N -4.90 0.00 -2.71 -2.27 -1.04 -0.58 -4.59 114.28 98.19 1jgu n THR 187 Ca -0.08 1.17 -0.33 0.00 -2.04 0.00 0.00 64.05 62.77 1jgu n THR 187 Cb 0.19 -1.86 -0.06 0.00 -1.82 0.00 0.00 70.33 66.79 1jgu n THR 187 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1jgu s TRP 188 N -1.68 3.31 -0.19 -1.42 -0.00 -1.25 -0.74 118.94 116.97 1jgu s TRP 188 Ca 0.00 1.58 0.19 0.00 -0.00 0.00 0.00 56.10 57.87 1jgu s TRP 188 Cb 0.00 -2.85 -0.03 0.00 -0.00 0.00 0.00 33.47 30.59 1jgu s TRP 188 CO 0.00 -0.22 1.04 -1.35 -0.00 0.00 0.00 176.95 176.42 1jgu h PRO 189 N 1.67 0.00 -0.94 5.86 0.11 -1.81 -3.45 132.00 133.44 1jgu h PRO 189 Ca -0.49 0.00 0.33 0.00 0.11 0.00 0.00 66.00 65.96 1jgu h PRO 189 Cb 1.18 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.12 1jgu h PRO 189 CO 0.61 0.20 0.28 0.45 -0.21 0.00 0.00 178.00 179.33 1jgu n SER 190 N -2.88 0.13 -4.92 -2.05 2.88 -1.22 -4.20 113.62 101.36 1jgu n SER 190 Ca -0.04 1.57 -0.29 0.00 -1.33 0.00 0.00 58.87 58.78 1jgu n SER 190 Cb 0.70 -0.68 -0.04 0.00 -0.75 0.00 0.00 64.21 63.45 1jgu n SER 190 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1jgu s GLN 191 N -5.65 3.49 0.15 -1.46 -0.21 0.08 -5.09 119.66 110.96 1jgu s GLN 191 Ca -0.10 -0.39 -0.23 0.00 0.02 0.00 0.00 55.36 54.66 1jgu s GLN 191 Cb 0.30 -2.95 -0.08 0.00 1.00 0.00 0.00 33.01 31.29 1jgu s GLN 191 CO 0.73 0.52 0.71 -1.54 -2.12 0.00 0.00 175.29 173.59 1jgu s SER 192 N -2.79 7.25 -0.09 5.90 1.04 -1.26 -4.37 113.70 119.38 1jgu s SER 192 Ca 0.37 1.50 0.00 0.00 0.48 0.00 0.00 55.95 58.30 1jgu s SER 192 Cb -0.12 -2.45 0.02 0.00 0.10 0.00 0.00 66.02 63.57 1jgu s SER 192 CO 0.28 0.21 -0.08 -0.63 0.98 0.00 0.00 173.24 173.99 1jgu s ILE 193 N -1.19 0.96 0.01 -1.02 1.01 -1.26 -4.99 121.20 114.72 1jgu s ILE 193 Ca 0.35 -0.29 0.05 0.00 0.00 0.00 0.00 60.65 60.76 1jgu s ILE 193 Cb -0.21 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 1jgu s ILE 193 CO 0.23 0.35 -0.15 -0.89 0.00 0.00 0.00 174.94 174.47 1jgu s THR 194 N 1.43 1.23 -0.22 2.92 2.01 -1.26 -0.94 115.64 120.80 1jgu s THR 194 Ca -0.01 -0.80 -0.12 0.00 0.31 0.00 0.00 61.69 61.08 1jgu s THR 194 Cb -0.13 -1.05 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 1jgu s THR 194 CO -0.05 0.24 0.23 0.00 -0.69 0.00 0.00 174.62 174.36 1jgu s ASN 196 N 0.92 3.99 -0.16 0.00 0.01 -0.11 -0.36 114.94 119.22 1jgu s ASN 196 Ca 0.11 -0.56 0.01 0.00 -0.71 0.00 0.00 52.86 51.72 1jgu s ASN 196 Cb -0.13 -1.65 0.02 0.00 0.41 0.00 0.00 41.25 39.89 1jgu s ASN 196 CO 0.05 -0.04 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.72 1jgu s VAL 197 N 1.40 1.95 -0.12 1.60 1.01 0.90 -1.31 120.40 125.83 1jgu s VAL 197 Ca 0.04 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 1jgu s VAL 197 Cb -0.14 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1jgu s VAL 197 CO -0.06 0.52 -0.05 0.00 0.00 0.00 0.00 175.10 175.52 1jgu s ALA 198 N 1.23 3.01 -0.45 5.51 0.00 0.10 -0.53 121.76 130.64 1jgu s ALA 198 Ca 0.02 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.17 1jgu s ALA 198 Cb -0.13 -1.43 0.14 0.00 0.00 0.00 0.00 23.12 21.69 1jgu s ALA 198 CO -0.10 0.37 0.24 -1.58 0.00 0.00 0.00 175.76 174.69 1jgu s HIS 199 N -0.15 2.09 0.29 0.00 2.46 -0.31 -0.56 115.29 119.11 1jgu s HIS 199 Ca 0.03 -2.50 0.04 0.00 0.47 0.00 0.00 55.06 53.10 1jgu s HIS 199 Cb -0.13 -1.96 0.71 0.00 -0.13 0.00 0.00 32.58 31.07 1jgu s HIS 199 CO 0.03 -0.78 1.74 -1.00 -2.47 0.00 0.00 174.74 172.26 1jgu h PRO 200 N 6.68 0.57 -0.91 2.88 0.13 -1.81 -2.16 132.00 137.39 1jgu h PRO 200 Ca -0.01 -0.03 0.21 0.00 -0.87 0.00 0.00 66.00 65.29 1jgu h PRO 200 Cb 0.92 -0.13 -0.07 0.00 0.13 0.00 0.00 31.00 31.86 1jgu h PRO 200 CO 0.50 0.38 0.60 0.00 -0.23 0.00 0.00 178.00 179.25 1jgu h ALA 201 N 1.66 2.21 -0.34 -0.56 0.00 -1.91 -1.17 119.26 119.16 1jgu h ALA 201 Ca 0.56 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1jgu h ALA 201 Cb 0.95 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1jgu h ALA 201 CO -0.44 -0.50 0.00 -1.13 0.00 0.00 0.00 179.25 177.18 1jgu n SER 202 N -4.51 2.90 -3.47 0.00 3.41 -0.86 -4.98 113.62 106.11 1jgu n SER 202 Ca 0.19 -1.93 -0.25 0.00 -0.26 0.00 0.00 58.87 56.62 1jgu n SER 202 Cb 0.71 -0.22 0.02 0.00 -0.26 0.00 0.00 64.21 64.45 1jgu n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1jgu n SER 203 N 0.65 -4.66 -4.53 4.04 7.64 -0.44 -4.96 113.62 111.35 1jgu n SER 203 Ca 0.12 -0.49 -0.31 0.00 1.01 0.00 0.00 58.87 59.19 1jgu n SER 203 Cb 0.43 -3.78 -0.11 0.00 -1.01 0.00 0.00 64.21 59.73 1jgu n SER 203 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1jgu s THR 204 N -3.11 3.23 -0.14 0.44 -4.23 -1.11 -5.02 115.64 105.70 1jgu s THR 204 Ca 0.47 -0.98 -0.03 0.00 -1.18 0.00 0.00 61.69 59.97 1jgu s THR 204 Cb -0.23 -2.38 0.05 0.00 1.34 0.00 0.00 72.50 71.27 1jgu s THR 204 CO 0.58 0.36 0.05 -0.75 -0.54 0.00 0.00 174.62 174.32 1jgu s LYS 205 N -1.43 0.35 -0.06 3.99 2.36 -1.26 -1.17 119.74 122.52 1jgu s LYS 205 Ca 0.16 -0.08 0.04 0.00 -2.55 0.00 0.00 55.97 53.54 1jgu s LYS 205 Cb -0.11 -1.54 -0.02 0.00 -1.05 0.00 0.00 37.83 35.11 1jgu s LYS 205 CO 0.07 -0.53 -0.18 0.08 1.55 0.00 0.00 175.35 176.33 1jgu s VAL 206 N 2.02 2.68 -0.07 4.02 1.01 0.31 -4.98 120.40 125.39 1jgu s VAL 206 Ca 0.02 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.21 1jgu s VAL 206 Cb -0.15 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 1jgu s VAL 206 CO -0.07 0.57 -0.24 -1.81 0.00 0.00 0.00 175.10 173.56 1jgu s ASP 207 N -0.40 3.16 -0.11 3.32 1.01 -1.26 -0.07 116.67 122.33 1jgu s ASP 207 Ca 0.04 -0.50 -0.01 0.00 0.71 0.00 0.00 52.55 52.79 1jgu s ASP 207 Cb -0.12 -1.01 0.03 0.00 1.01 0.00 0.00 42.92 42.82 1jgu s ASP 207 CO 0.02 0.23 -0.05 -0.75 0.21 0.00 0.00 175.17 174.82 1jgu s LYS 208 N -0.04 1.27 0.20 8.23 2.47 0.51 -4.96 119.74 127.42 1jgu s LYS 208 Ca -0.07 -0.17 -0.28 0.00 -1.56 0.00 0.00 55.97 53.89 1jgu s LYS 208 Cb -0.15 -1.45 -0.08 0.00 -1.46 0.00 0.00 37.83 34.69 1jgu s LYS 208 CO 0.05 -0.29 0.88 0.15 0.16 0.00 0.00 175.35 176.30 1jgu s LYS 209 N 1.78 4.74 -0.43 4.03 1.02 -1.26 -0.20 119.74 129.42 1jgu s LYS 209 Ca 0.05 1.37 -0.19 0.00 0.02 0.00 0.00 55.97 57.21 1jgu s LYS 209 Cb -0.13 -3.29 0.02 0.00 -0.52 0.00 0.00 37.83 33.92 1jgu s LYS 209 CO -0.07 0.50 0.55 0.42 -0.92 0.00 0.00 175.35 175.82 1jgu s ILE 210 N -1.02 4.95 0.07 2.17 -1.09 -0.11 -4.87 121.20 121.30 1jgu s ILE 210 Ca 0.40 -0.07 0.09 0.00 -2.23 0.00 0.00 60.65 58.84 1jgu s ILE 210 Cb -0.25 -4.12 -0.03 0.00 -1.58 0.00 0.00 42.46 36.48 1jgu s ILE 210 CO 0.30 -0.50 -0.25 -1.61 -1.23 0.00 0.00 174.94 171.64 1jgu s GLU 211 N 2.50 1.74 0.00 2.79 2.02 -1.26 -4.62 118.70 121.87 1jgu s GLU 211 Ca 0.18 -1.15 0.03 0.00 0.02 0.00 0.00 54.97 54.04 1jgu s GLU 211 Cb -0.15 -1.99 0.16 0.00 0.10 0.00 0.00 34.13 32.24 1jgu s GLU 211 CO 0.16 0.50 0.64 -0.35 0.02 0.00 0.00 175.26 176.23