#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jr2 s LYS 2 N 0.00 4.28 0.07 0.03 1.02 -1.26 -0.99 119.74 122.88 1jr2 s LYS 2 Ca 0.00 0.54 0.07 0.00 0.02 0.00 0.00 55.97 56.59 1jr2 s LYS 2 Cb 0.00 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 1jr2 s LYS 2 CO 0.00 0.29 -0.18 0.14 -0.92 0.00 0.00 175.35 174.68 1jr2 s VAL 3 N 0.15 1.48 -0.11 3.17 -7.23 -0.04 -1.07 120.40 116.76 1jr2 s VAL 3 Ca 0.27 -1.30 0.02 0.00 -1.81 0.00 0.00 61.98 59.15 1jr2 s VAL 3 Cb -0.16 -1.34 -0.01 0.00 0.56 0.00 0.00 36.38 35.42 1jr2 s VAL 3 CO 0.13 -0.00 -0.16 -0.22 -0.31 0.00 0.00 175.10 174.54 1jr2 s LEU 4 N -1.53 2.56 -0.14 1.32 2.96 -0.16 -1.22 118.68 122.47 1jr2 s LEU 4 Ca 0.04 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 1jr2 s LEU 4 Cb -0.09 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 45.05 1jr2 s LEU 4 CO 0.03 0.20 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.31 1jr2 s LEU 5 N 0.15 2.31 -1.16 -0.68 1.43 -0.19 -0.95 118.68 119.60 1jr2 s LEU 5 Ca -0.09 -0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 52.39 1jr2 s LEU 5 Cb -0.15 -1.51 0.24 0.00 0.03 0.00 0.00 46.19 44.80 1jr2 s LEU 5 CO 0.05 0.09 1.34 0.18 0.23 0.00 0.00 176.35 178.25 1jr2 n LEU 6 N 3.98 5.63 -3.79 1.79 4.77 -0.66 -1.20 117.00 127.53 1jr2 n LEU 6 Ca -0.19 -4.83 -0.06 0.00 -0.03 0.00 0.00 56.01 50.89 1jr2 n LEU 6 Cb 0.52 -1.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.09 1jr2 n LEU 6 CO 0.28 1.18 0.54 -1.59 -1.33 0.00 0.00 177.39 176.47 1jr2 s LYS 7 N -0.36 1.56 0.27 3.23 -2.85 -0.59 -4.39 119.74 116.61 1jr2 s LYS 7 Ca 0.36 -0.84 -0.30 0.00 -1.00 0.00 0.00 55.97 54.19 1jr2 s LYS 7 Cb -0.04 0.55 -0.09 0.00 -2.06 0.00 0.00 37.83 36.18 1jr2 s LYS 7 CO -0.02 -0.71 1.07 -0.51 0.10 0.00 0.00 175.35 175.27 1jr2 s ASP 8 N -2.90 7.34 0.46 0.03 1.01 -1.26 -2.72 116.67 118.62 1jr2 s ASP 8 Ca 0.10 2.20 -0.24 0.00 0.71 0.00 0.00 52.55 55.33 1jr2 s ASP 8 Cb -0.04 -2.62 -0.07 0.00 1.01 0.00 0.00 42.92 41.19 1jr2 s ASP 8 CO 0.04 -0.09 1.24 0.00 0.21 0.00 0.00 175.17 176.57 1jr2 s ALA 9 N -1.14 3.03 -0.31 5.23 0.00 -1.26 -5.01 121.76 122.30 1jr2 s ALA 9 Ca 0.44 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1jr2 s ALA 9 Cb -0.31 -3.45 0.14 0.00 0.00 0.00 0.00 23.12 19.51 1jr2 s ALA 9 CO 0.39 -0.84 0.32 0.21 0.00 0.00 0.00 175.76 175.84 1jr2 s LYS 10 N -2.59 0.40 0.15 0.00 2.47 -1.26 -5.10 119.74 113.81 1jr2 s LYS 10 Ca 0.63 -0.31 -0.31 0.00 -1.56 0.00 0.00 55.97 54.42 1jr2 s LYS 10 Cb -0.34 -0.67 -0.08 0.00 -1.46 0.00 0.00 37.83 35.29 1jr2 s LYS 10 CO 0.41 -1.07 1.32 -1.21 0.16 0.00 0.00 175.35 174.96 1jr2 s GLU 11 N 2.14 4.38 0.57 4.03 8.01 -1.26 -4.31 118.70 132.26 1jr2 s GLU 11 Ca 0.11 2.02 -0.07 0.00 0.01 0.00 0.00 54.97 57.04 1jr2 s GLU 11 Cb -0.14 -3.23 -0.01 0.00 -4.31 0.00 0.00 34.13 26.44 1jr2 s GLU 11 CO -0.26 -0.31 0.90 0.16 0.01 0.00 0.00 175.26 175.76 1jr2 s ASP 12 N 0.68 5.83 0.00 -0.19 1.47 -0.54 -4.83 116.67 119.09 1jr2 s ASP 12 Ca 0.59 0.87 0.00 0.00 1.18 0.00 0.00 52.55 55.19 1jr2 s ASP 12 Cb -0.36 -1.94 0.00 0.00 -0.34 0.00 0.00 42.92 40.28 1jr2 s ASP 12 CO 0.34 -0.93 0.25 -0.67 0.68 0.00 0.00 175.17 174.84 1jr2 n ASP 13 N -2.54 0.42 0.00 2.11 -0.08 -1.26 0.65 116.55 115.85 1jr2 n ASP 13 Ca 0.04 -0.91 0.11 0.00 -1.51 0.00 0.00 54.79 52.51 1jr2 n ASP 13 Cb 0.57 -0.21 -0.02 0.00 2.34 0.00 0.00 41.12 43.80 1jr2 n ASP 13 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jr2 n GLY 15 N 1.49 1.08 3.22 0.00 0.00 0.21 -5.10 105.19 106.10 1jr2 n GLY 15 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1jr2 n GLY 15 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jr2 s GLN 16 N -0.81 0.72 0.03 1.61 0.74 -1.21 -4.86 119.66 115.88 1jr2 s GLN 16 Ca 0.00 -0.42 -0.30 0.00 0.05 0.00 0.00 55.36 54.68 1jr2 s GLN 16 Cb 0.00 0.31 -0.05 0.00 1.10 0.00 0.00 33.01 34.37 1jr2 s GLN 16 CO 0.00 -0.21 1.25 0.34 -0.55 0.00 0.00 175.29 176.12 1jr2 s ASP 17 N -1.78 7.01 0.44 6.67 2.15 -1.26 -1.47 116.67 128.43 1jr2 s ASP 17 Ca -0.09 2.02 0.21 0.00 0.43 0.00 0.00 52.55 55.12 1jr2 s ASP 17 Cb -0.03 -2.57 1.02 0.00 -0.30 0.00 0.00 42.92 41.05 1jr2 s ASP 17 CO -0.01 -0.56 1.91 1.55 -0.17 0.00 0.00 175.17 177.89 1jr2 h PRO 18 N 7.14 0.00 -0.10 4.34 0.13 -1.97 0.70 132.00 142.23 1jr2 h PRO 18 Ca -0.39 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.62 1jr2 h PRO 18 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1jr2 h PRO 18 CO 0.85 0.25 -0.40 1.88 -0.23 0.00 0.00 178.00 180.35 1jr2 h TYR 19 N 0.00 0.61 -0.32 1.56 -1.99 -1.93 -1.60 116.97 113.30 1jr2 h TYR 19 Ca -0.00 -0.26 -0.01 0.00 2.00 0.00 0.00 58.73 60.46 1jr2 h TYR 19 Cb 0.58 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.19 1jr2 h TYR 19 CO 0.00 1.01 0.17 0.82 -0.00 0.00 0.00 178.16 180.16 1jr2 h ILE 20 N 0.03 1.13 0.44 -2.88 2.04 -1.77 -1.66 117.51 114.85 1jr2 h ILE 20 Ca -0.02 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 1jr2 h ILE 20 Cb 1.04 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1jr2 h ILE 20 CO 0.08 0.14 -0.27 -0.09 0.00 0.00 0.00 178.15 178.01 1jr2 h ARG 21 N 0.39 -0.66 -0.76 2.37 2.43 -0.91 -0.90 114.38 116.34 1jr2 h ARG 21 Ca 0.11 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1jr2 h ARG 21 Cb 0.06 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 1jr2 h ARG 21 CO -0.02 -0.44 0.50 1.49 -1.51 0.00 0.00 179.97 179.99 1jr2 h GLU 22 N -0.68 1.01 -0.60 0.20 4.57 -1.25 -2.12 114.58 115.70 1jr2 h GLU 22 Ca -0.05 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.00 1jr2 h GLU 22 Cb 0.56 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 1jr2 h GLU 22 CO 0.05 0.68 0.12 -0.07 -1.18 0.00 0.00 179.01 178.61 1jr2 h LEU 23 N 1.04 0.90 -2.08 1.64 -0.00 -1.19 -2.51 115.31 113.11 1jr2 h LEU 23 Ca 0.28 -0.19 -0.01 0.00 -0.00 0.00 0.00 57.88 57.96 1jr2 h LEU 23 Cb -0.11 -0.24 -0.00 0.00 -0.00 0.00 0.00 40.66 40.31 1jr2 h LEU 23 CO -0.06 0.89 -0.05 1.23 -0.00 0.00 0.00 178.44 180.45 1jr2 h GLY 24 N 1.03 0.00 2.00 0.83 0.00 -0.50 -0.60 103.07 105.83 1jr2 h GLY 24 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 1jr2 h GLY 24 CO 0.00 0.00 -0.08 1.41 0.00 0.00 0.00 176.54 177.87 1jr2 h LEU 25 N 0.00 0.00 -3.32 3.11 3.38 -1.07 -1.17 115.31 116.25 1jr2 h LEU 25 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jr2 h LEU 25 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1jr2 h LEU 25 CO 0.01 0.08 0.00 -1.22 0.09 0.00 0.00 178.44 177.40 1jr2 n TYR 26 N -3.75 1.27 -1.83 1.13 0.53 -0.32 -4.95 117.16 109.24 1jr2 n TYR 26 Ca -0.02 -0.79 -0.15 0.00 -1.02 0.00 0.00 57.90 55.92 1jr2 n TYR 26 Cb 0.19 -0.35 -0.04 0.00 -1.03 0.00 0.00 39.34 38.11 1jr2 n TYR 26 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1jr2 n GLY 27 N -0.01 0.68 3.47 2.72 0.00 -0.44 -4.99 105.19 106.62 1jr2 n GLY 27 Ca 0.23 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1jr2 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jr2 s LEU 28 N -3.76 3.68 -0.57 0.99 1.43 -0.65 -3.94 118.68 115.86 1jr2 s LEU 28 Ca 0.00 -0.24 -0.23 0.00 -1.03 0.00 0.00 54.13 52.63 1jr2 s LEU 28 Cb 0.00 -1.97 0.05 0.00 0.03 0.00 0.00 46.19 44.29 1jr2 s LEU 28 CO 0.00 -0.07 0.92 -0.70 0.23 0.00 0.00 176.35 176.73 1jr2 s GLU 29 N 1.64 3.27 -0.07 1.70 2.12 -0.16 -2.90 118.70 124.30 1jr2 s GLU 29 Ca 0.06 -0.42 -0.11 0.00 0.36 0.00 0.00 54.97 54.86 1jr2 s GLU 29 Cb -0.16 -4.09 -0.05 0.00 0.26 0.00 0.00 34.13 30.10 1jr2 s GLU 29 CO 0.05 -1.53 0.27 0.00 -0.54 0.00 0.00 175.26 173.51 1jr2 s ALA 30 N 3.88 3.78 -0.04 6.30 0.00 -1.26 -0.86 121.76 133.56 1jr2 s ALA 30 Ca 0.28 -0.44 0.06 0.00 0.00 0.00 0.00 51.96 51.85 1jr2 s ALA 30 Cb -0.14 -2.18 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 1jr2 s ALA 30 CO 0.17 0.53 -0.23 0.99 0.00 0.00 0.00 175.76 177.22 1jr2 s THR 31 N -0.97 1.85 -0.22 0.00 2.01 -0.36 -4.91 115.64 113.02 1jr2 s THR 31 Ca 0.19 -0.96 -0.05 0.00 0.31 0.00 0.00 61.69 61.18 1jr2 s THR 31 Cb -0.14 -1.56 -0.02 0.00 0.01 0.00 0.00 72.50 70.79 1jr2 s THR 31 CO 0.08 0.52 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.76 1jr2 s LEU 32 N -0.20 3.10 -0.11 4.42 1.02 -1.26 -1.02 118.68 124.63 1jr2 s LEU 32 Ca -0.01 -0.31 0.02 0.00 0.02 0.00 0.00 54.13 53.85 1jr2 s LEU 32 Cb -0.12 -1.80 0.01 0.00 0.02 0.00 0.00 46.19 44.30 1jr2 s LEU 32 CO 0.02 -0.01 -0.17 -0.63 0.02 0.00 0.00 176.35 175.59 1jr2 s ILE 33 N 1.43 1.58 0.55 -0.59 1.01 -0.34 -4.65 121.20 120.20 1jr2 s ILE 33 Ca 0.05 -0.70 -0.18 0.00 0.00 0.00 0.00 60.65 59.81 1jr2 s ILE 33 Cb -0.15 -1.43 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 1jr2 s ILE 33 CO -0.00 0.46 1.09 -2.16 0.00 0.00 0.00 174.94 174.33 1jr2 s PRO 34 N 0.88 3.38 0.00 2.79 0.04 -1.18 -1.54 135.00 139.36 1jr2 s PRO 34 Ca -0.09 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1jr2 s PRO 34 Cb -0.15 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1jr2 s PRO 34 CO -0.00 -0.80 0.00 1.33 0.04 0.00 0.00 177.00 177.57 1jr2 n VAL 35 N -1.49 0.00 -4.30 -0.36 0.24 -1.26 -4.70 118.33 106.46 1jr2 n VAL 35 Ca 0.10 -0.39 -0.31 0.00 -2.04 0.00 0.00 64.34 61.70 1jr2 n VAL 35 Cb 0.52 0.97 -0.09 0.00 -1.47 0.00 0.00 33.84 33.77 1jr2 n VAL 35 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1jr2 s LEU 36 N -1.68 3.31 0.00 1.34 1.43 -1.26 -0.94 118.68 120.88 1jr2 s LEU 36 Ca 0.00 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 52.92 1jr2 s LEU 36 Cb 0.00 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.26 1jr2 s LEU 36 CO 0.00 0.24 0.45 -0.24 0.23 0.00 0.00 176.35 177.03 1jr2 n SER 37 N 1.14 -1.26 -3.94 2.29 2.88 -0.03 -4.52 113.62 110.17 1jr2 n SER 37 Ca -0.14 -2.63 -0.09 0.00 -1.33 0.00 0.00 58.87 54.69 1jr2 n SER 37 Cb 0.52 2.32 -0.08 0.00 -0.75 0.00 0.00 64.21 66.23 1jr2 n SER 37 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1jr2 s PHE 38 N -3.18 0.32 0.04 0.66 -0.12 -1.26 -0.77 117.98 113.66 1jr2 s PHE 38 Ca 0.24 -0.75 -0.00 0.00 -0.05 0.00 0.00 56.93 56.37 1jr2 s PHE 38 Cb -0.01 -0.14 -0.03 0.00 -0.63 0.00 0.00 43.02 42.21 1jr2 s PHE 38 CO 0.17 -0.56 -0.03 -1.83 -0.05 0.00 0.00 175.22 172.92 1jr2 s GLU 39 N -3.91 0.52 0.16 1.99 -1.05 -0.82 -4.88 118.70 110.71 1jr2 s GLU 39 Ca 0.10 -1.01 0.01 0.00 -0.15 0.00 0.00 54.97 53.91 1jr2 s GLU 39 Cb 0.05 0.14 -0.04 0.00 -0.44 0.00 0.00 34.13 33.84 1jr2 s GLU 39 CO -0.07 -0.08 0.32 -0.06 0.95 0.00 0.00 175.26 176.32 1jr2 s PHE 40 N -3.02 3.49 0.05 4.83 0.40 -1.26 -1.98 117.98 120.48 1jr2 s PHE 40 Ca -0.01 0.24 -0.06 0.00 -0.60 0.00 0.00 56.93 56.50 1jr2 s PHE 40 Cb 0.01 -1.76 -0.01 0.00 0.51 0.00 0.00 43.02 41.77 1jr2 s PHE 40 CO -0.06 0.47 0.12 -0.51 0.70 0.00 0.00 175.22 175.93 1jr2 s LEU 41 N -3.17 1.71 -1.23 -0.37 1.43 0.92 -4.90 118.68 113.07 1jr2 s LEU 41 Ca 0.36 -0.56 -0.04 0.00 -1.03 0.00 0.00 54.13 52.86 1jr2 s LEU 41 Cb -0.11 0.71 0.03 0.00 0.03 0.00 0.00 46.19 46.85 1jr2 s LEU 41 CO 0.28 -0.57 0.27 -1.20 0.23 0.00 0.00 176.35 175.37 1jr2 n SER 42 N 0.54 -4.18 -0.18 2.29 7.64 -1.26 -4.19 113.62 114.27 1jr2 n SER 42 Ca -0.18 -0.10 -0.08 0.00 1.01 0.00 0.00 58.87 59.53 1jr2 n SER 42 Cb 0.59 -3.49 0.02 0.00 -1.01 0.00 0.00 64.21 60.32 1jr2 n SER 42 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1jr2 h LEU 43 N -0.56 0.66 -0.25 -3.43 3.38 -1.91 -0.32 115.31 112.88 1jr2 h LEU 43 Ca -0.38 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.51 1jr2 h LEU 43 Cb 1.27 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1jr2 h LEU 43 CO 0.45 0.59 0.01 -0.65 0.09 0.00 0.00 178.44 178.93 1jr2 h PRO 44 N 0.69 0.09 -0.92 1.13 0.11 -1.90 0.55 132.00 131.74 1jr2 h PRO 44 Ca 0.18 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.32 1jr2 h PRO 44 Cb 0.09 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.13 1jr2 h PRO 44 CO -0.03 0.06 0.60 1.03 -0.21 0.00 0.00 178.00 179.46 1jr2 h SER 45 N 0.09 1.00 -0.80 -2.05 0.87 -1.91 -1.97 113.55 108.79 1jr2 h SER 45 Ca 0.12 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 1jr2 h SER 45 Cb 0.14 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 1jr2 h SER 45 CO -0.19 0.69 0.39 0.15 -0.53 0.00 0.00 176.83 177.34 1jr2 h PHE 46 N 1.17 1.14 -0.31 2.24 3.57 -0.51 -1.45 116.94 122.79 1jr2 h PHE 46 Ca 0.37 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.74 1jr2 h PHE 46 Cb -0.01 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.36 1jr2 h PHE 46 CO -0.01 0.83 -0.12 0.66 -2.23 0.00 0.00 178.31 177.44 1jr2 h SER 47 N 1.12 0.51 -0.38 0.41 4.64 -0.39 -1.09 113.55 118.36 1jr2 h SER 47 Ca 0.27 -0.13 -0.14 0.00 -0.47 0.00 0.00 61.79 61.32 1jr2 h SER 47 Cb 0.11 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1jr2 h SER 47 CO -0.04 0.66 -0.28 -0.08 -0.87 0.00 0.00 176.83 176.23 1jr2 h GLU 48 N 0.49 0.91 -0.41 4.77 4.81 -0.82 -1.86 114.58 122.46 1jr2 h GLU 48 Ca 0.09 -0.41 -0.07 0.00 -0.13 0.00 0.00 59.36 58.83 1jr2 h GLU 48 Cb 0.50 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1jr2 h GLU 48 CO 0.03 1.07 -0.03 0.87 -0.73 0.00 0.00 179.01 180.21 1jr2 h LYS 49 N 0.77 0.75 0.00 1.92 1.57 -0.76 -2.37 116.57 118.46 1jr2 h LYS 49 Ca 0.09 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1jr2 h LYS 49 Cb 0.84 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 1jr2 h LYS 49 CO 0.07 0.85 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.67 1jr2 h LEU 50 N 0.58 0.00 0.00 2.94 3.38 -1.15 -1.56 115.31 119.51 1jr2 h LEU 50 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1jr2 h LEU 50 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1jr2 h LEU 50 CO 0.03 0.07 0.00 -1.20 0.09 0.00 0.00 178.44 177.43 1jr2 n SER 51 N -3.34 0.00 -3.17 -0.43 7.64 -0.71 -4.31 113.62 109.31 1jr2 n SER 51 Ca -0.01 0.41 -0.24 0.00 1.01 0.00 0.00 58.87 60.04 1jr2 n SER 51 Cb 0.24 -0.47 -0.05 0.00 -1.01 0.00 0.00 64.21 62.92 1jr2 n SER 51 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1jr2 n HIS 52 N -1.47 2.10 0.34 1.43 8.25 -0.58 -4.90 115.22 120.38 1jr2 n HIS 52 Ca 0.07 -3.90 0.23 0.00 -0.26 0.00 0.00 57.72 53.85 1jr2 n HIS 52 Cb 0.27 -0.46 1.21 0.00 1.12 0.00 0.00 29.99 32.13 1jr2 n HIS 52 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1jr2 h PRO 53 N 3.47 0.00 0.00 -0.41 0.13 -1.75 -1.22 132.00 132.22 1jr2 h PRO 53 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1jr2 h PRO 53 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1jr2 h PRO 53 CO 0.67 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.37 1jr2 h GLU 54 N 0.00 0.00 -0.00 0.86 5.08 -1.93 -2.12 114.58 116.47 1jr2 h GLU 54 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jr2 h GLU 54 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1jr2 h GLU 54 CO 0.00 0.00 -0.27 -0.25 -1.00 0.00 0.00 179.01 177.49 1jr2 n ASP 55 N -2.47 0.75 -4.26 1.42 9.92 -0.46 -4.96 116.55 116.49 1jr2 n ASP 55 Ca -0.00 -0.62 -0.15 0.00 -0.53 0.00 0.00 54.79 53.48 1jr2 n ASP 55 Cb 0.14 0.09 -0.10 0.00 -0.64 0.00 0.00 41.12 40.61 1jr2 n ASP 55 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1jr2 s TYR 56 N -2.62 1.32 -1.95 1.24 1.51 -0.80 -4.30 117.35 111.74 1jr2 s TYR 56 Ca 0.22 -0.71 0.24 0.00 -1.01 0.00 0.00 57.07 55.81 1jr2 s TYR 56 Cb 0.19 -0.66 0.37 0.00 -0.11 0.00 0.00 41.96 41.74 1jr2 s TYR 56 CO 0.55 0.12 1.32 0.41 -1.11 0.00 0.00 175.55 176.84 1jr2 n GLY 57 N -0.11 -0.23 0.00 0.71 0.00 0.52 -4.83 105.19 101.25 1jr2 n GLY 57 Ca -0.11 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1jr2 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jr2 n GLY 58 N 1.38 -1.09 3.10 -0.02 0.00 -1.26 -3.67 105.19 103.62 1jr2 n GLY 58 Ca 0.11 -1.35 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 1jr2 n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jr2 s LEU 59 N 0.00 2.23 -0.09 0.99 1.43 0.06 -1.27 118.68 122.03 1jr2 s LEU 59 Ca 0.00 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1jr2 s LEU 59 Cb 0.00 -0.33 0.02 0.00 0.03 0.00 0.00 46.19 45.91 1jr2 s LEU 59 CO 0.00 -0.12 -0.11 -0.63 0.23 0.00 0.00 176.35 175.72 1jr2 s ILE 60 N -1.19 1.16 -0.13 -0.59 1.01 0.01 -0.75 121.20 120.72 1jr2 s ILE 60 Ca -0.05 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.19 1jr2 s ILE 60 Cb -0.09 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.28 1jr2 s ILE 60 CO 0.01 0.38 -0.21 -0.36 0.00 0.00 0.00 174.94 174.76 1jr2 s PHE 61 N 1.17 2.48 -0.42 3.97 0.40 -0.55 -3.87 117.98 121.16 1jr2 s PHE 61 Ca -0.05 -1.20 0.04 0.00 -0.60 0.00 0.00 56.93 55.12 1jr2 s PHE 61 Cb -0.14 -1.70 0.04 0.00 0.51 0.00 0.00 43.02 41.72 1jr2 s PHE 61 CO -0.03 -0.55 0.69 0.25 0.70 0.00 0.00 175.22 176.28 1jr2 n THR 62 N 4.02 0.16 -3.77 0.64 -2.24 -1.26 -1.64 114.28 110.19 1jr2 n THR 62 Ca -0.20 -0.58 -0.13 0.00 -2.27 0.00 0.00 64.05 60.87 1jr2 n THR 62 Cb 0.52 0.98 -0.11 0.00 -2.10 0.00 0.00 70.33 69.62 1jr2 n THR 62 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1jr2 s SER 63 N -0.41 -0.32 0.45 3.42 0.15 -1.26 -4.70 113.70 111.04 1jr2 s SER 63 Ca 0.05 0.60 0.16 0.00 0.70 0.00 0.00 55.95 57.45 1jr2 s SER 63 Cb 0.03 0.62 1.10 0.00 -1.71 0.00 0.00 66.02 66.06 1jr2 s SER 63 CO 0.05 -0.13 2.00 -0.65 1.20 0.00 0.00 173.24 175.70 1jr2 h PRO 64 N 5.52 0.31 0.00 5.44 0.11 -1.89 -2.14 132.00 139.35 1jr2 h PRO 64 Ca -0.26 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 1jr2 h PRO 64 Cb 1.19 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1jr2 h PRO 64 CO 0.31 0.21 -0.27 0.00 -0.21 0.00 0.00 178.00 178.04 1jr2 h ARG 65 N 0.32 0.00 -0.15 1.05 3.08 -1.98 0.34 114.38 117.03 1jr2 h ARG 65 Ca 0.25 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.17 1jr2 h ARG 65 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1jr2 h ARG 65 CO -0.06 0.27 -0.48 0.00 -1.07 0.00 0.00 179.97 178.63 1jr2 h ALA 66 N 1.73 0.90 0.03 0.04 0.00 -1.72 -0.62 119.26 119.63 1jr2 h ALA 66 Ca -0.00 -0.47 -0.26 0.00 0.00 0.00 0.00 54.91 54.18 1jr2 h ALA 66 Cb 0.58 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1jr2 h ALA 66 CO 0.03 0.66 -1.05 0.28 0.00 0.00 0.00 179.25 179.17 1jr2 h VAL 67 N 0.31 1.35 -0.84 0.00 2.07 -1.30 -1.93 116.25 115.92 1jr2 h VAL 67 Ca 0.02 -2.44 -0.00 0.00 0.82 0.00 0.00 66.70 65.10 1jr2 h VAL 67 Cb 0.96 2.50 -0.04 0.00 -1.52 0.00 0.00 31.29 33.19 1jr2 h VAL 67 CO 0.08 0.74 0.52 -0.33 0.02 0.00 0.00 177.57 178.60 1jr2 h GLU 68 N 0.28 1.13 -0.57 1.57 5.08 -0.85 -1.36 114.58 119.85 1jr2 h GLU 68 Ca -0.12 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 1jr2 h GLU 68 Cb 1.71 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.69 1jr2 h GLU 68 CO 0.19 0.78 0.11 0.00 -1.00 0.00 0.00 179.01 179.09 1jr2 h ALA 69 N 1.42 1.12 -0.24 3.43 0.00 -0.93 -1.15 119.26 122.90 1jr2 h ALA 69 Ca 0.30 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1jr2 h ALA 69 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1jr2 h ALA 69 CO -0.06 0.58 0.11 0.00 0.00 0.00 0.00 179.25 179.88 1jr2 h ALA 70 N 1.26 0.31 -0.12 0.00 0.00 -0.47 0.24 119.26 120.48 1jr2 h ALA 70 Ca 0.18 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jr2 h ALA 70 Cb 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1jr2 h ALA 70 CO 0.01 -0.11 0.07 0.93 0.00 0.00 0.00 179.25 180.14 1jr2 h GLU 71 N 0.25 0.16 -0.79 0.00 5.08 -1.05 -2.01 114.58 116.21 1jr2 h GLU 71 Ca 0.08 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1jr2 h GLU 71 Cb 0.15 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1jr2 h GLU 71 CO -0.01 0.17 0.52 -0.07 -1.00 0.00 0.00 179.01 178.62 1jr2 h LEU 72 N 0.10 0.92 -0.82 1.33 3.38 -1.14 -1.42 115.31 117.66 1jr2 h LEU 72 Ca 0.04 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1jr2 h LEU 72 Cb 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1jr2 h LEU 72 CO -0.01 0.67 -0.38 0.00 0.09 0.00 0.00 178.44 178.81 1jr2 h LEU 74 N 0.35 0.67 0.20 0.00 3.38 -1.09 -2.28 115.31 116.54 1jr2 h LEU 74 Ca 0.03 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1jr2 h LEU 74 Cb 0.83 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1jr2 h LEU 74 CO 0.07 1.02 -0.10 -0.33 0.09 0.00 0.00 178.44 179.19 1jr2 h GLU 75 N 0.34 -0.26 0.00 1.13 5.08 -0.99 -0.36 114.58 119.52 1jr2 h GLU 75 Ca 0.04 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1jr2 h GLU 75 Cb 0.84 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 1jr2 h GLU 75 CO 0.07 -0.15 -0.13 1.96 -1.00 0.00 0.00 179.01 179.76 1jr2 h GLN 76 N -0.30 0.00 -0.25 2.33 4.20 -0.99 -2.97 115.11 117.13 1jr2 h GLN 76 Ca -0.03 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1jr2 h GLN 76 Cb 0.23 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1jr2 h GLN 76 CO 0.05 0.13 -0.01 0.09 -0.67 0.00 0.00 178.83 178.42 1jr2 n ASN 77 N -3.72 3.50 -3.68 1.46 4.13 -0.86 -4.98 115.26 111.11 1jr2 n ASN 77 Ca -0.02 -3.14 -0.21 0.00 1.68 0.00 0.00 54.58 52.89 1jr2 n ASN 77 Cb 0.24 -0.55 0.04 0.00 -1.54 0.00 0.00 39.78 37.97 1jr2 n ASN 77 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1jr2 n ASN 78 N -0.71 -1.22 -0.30 6.41 5.15 -1.07 -4.92 115.26 118.60 1jr2 n ASN 78 Ca 0.23 -0.81 0.03 0.00 -0.60 0.00 0.00 54.58 53.43 1jr2 n ASN 78 Cb 0.89 -4.11 0.06 0.00 -0.53 0.00 0.00 39.78 36.09 1jr2 n ASN 78 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1jr2 n LYS 79 N -4.26 1.60 -0.26 1.20 4.76 -0.17 -4.71 118.16 116.33 1jr2 n LYS 79 Ca -0.30 -1.39 0.01 0.00 -2.87 0.00 0.00 58.31 53.75 1jr2 n LYS 79 Cb 0.68 -1.13 0.13 0.00 -1.84 0.00 0.00 35.03 32.87 1jr2 n LYS 79 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1jr2 h THR 80 N 1.12 0.94 -0.07 -0.18 2.02 -1.90 0.37 112.91 115.20 1jr2 h THR 80 Ca 0.00 -0.25 -0.10 0.00 0.77 0.00 0.00 66.41 66.83 1jr2 h THR 80 Cb 0.46 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1jr2 h THR 80 CO 0.00 0.14 -0.34 -0.08 0.37 0.00 0.00 175.52 175.61 1jr2 h GLU 81 N 0.74 0.36 -0.24 6.66 4.57 -1.94 -2.07 114.58 122.66 1jr2 h GLU 81 Ca 0.35 -0.29 -0.07 0.00 -1.18 0.00 0.00 59.36 58.17 1jr2 h GLU 81 Cb 0.27 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1jr2 h GLU 81 CO -0.22 0.93 -0.17 -0.39 -1.18 0.00 0.00 179.01 177.98 1jr2 h VAL 82 N -0.12 1.23 -0.22 0.32 -1.51 -1.84 -1.26 116.25 112.85 1jr2 h VAL 82 Ca -0.02 -1.05 0.04 0.00 -1.23 0.00 0.00 66.70 64.44 1jr2 h VAL 82 Cb 0.99 1.23 -0.04 0.00 -2.13 0.00 0.00 31.29 31.34 1jr2 h VAL 82 CO 0.07 0.34 -0.06 -0.25 -1.23 0.00 0.00 177.57 176.44 1jr2 h TRP 83 N 0.39 -0.13 -0.50 5.19 2.91 -0.18 0.92 115.95 124.55 1jr2 h TRP 83 Ca 0.07 0.02 -0.13 0.00 1.13 0.00 0.00 58.89 59.98 1jr2 h TRP 83 Cb 0.52 0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 29.25 1jr2 h TRP 83 CO 0.01 -0.10 -0.18 1.49 -1.03 0.00 0.00 178.44 178.63 1jr2 h GLU 84 N -0.01 1.00 0.00 2.65 4.57 -0.65 -1.17 114.58 120.97 1jr2 h GLU 84 Ca 0.11 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1jr2 h GLU 84 Cb 0.17 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1jr2 h GLU 84 CO -0.23 1.09 -0.88 0.54 -1.18 0.00 0.00 179.01 178.34 1jr2 n ARG 85 N -4.12 0.41 0.03 1.92 1.74 -0.54 -4.77 116.66 111.33 1jr2 n ARG 85 Ca 0.01 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1jr2 n ARG 85 Cb 0.44 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 1jr2 n ARG 85 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1jr2 n SER 86 N -2.28 -0.10 -0.29 0.55 3.41 0.18 -4.95 113.62 110.14 1jr2 n SER 86 Ca 0.02 0.12 -0.05 0.00 -0.26 0.00 0.00 58.87 58.69 1jr2 n SER 86 Cb 0.48 0.17 0.06 0.00 -0.26 0.00 0.00 64.21 64.67 1jr2 n SER 86 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1jr2 h LEU 87 N 0.00 1.02 -0.11 1.04 3.38 -1.08 -2.53 115.31 117.03 1jr2 h LEU 87 Ca 0.00 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1jr2 h LEU 87 Cb 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1jr2 h LEU 87 CO 0.00 0.87 0.06 0.50 0.09 0.00 0.00 178.44 179.96 1jr2 h LYS 88 N 1.10 0.16 -0.29 1.13 3.64 -1.45 -1.24 116.57 119.61 1jr2 h LYS 88 Ca 0.27 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.68 1jr2 h LYS 88 Cb 0.12 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 1jr2 h LYS 88 CO -0.03 0.17 0.02 1.49 -2.27 0.00 0.00 179.45 178.83 1jr2 h GLU 89 N 0.09 0.11 -0.30 1.90 4.81 -1.78 -0.80 114.58 118.62 1jr2 h GLU 89 Ca 0.04 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1jr2 h GLU 89 Cb 0.06 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1jr2 h GLU 89 CO -0.01 0.07 0.19 0.87 -0.73 0.00 0.00 179.01 179.41 1jr2 h LYS 90 N 0.12 0.38 -0.53 1.92 1.57 -1.11 -2.11 116.57 116.81 1jr2 h LYS 90 Ca 0.14 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1jr2 h LYS 90 Cb 0.17 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1jr2 h LYS 90 CO -0.21 0.25 0.05 -1.49 -0.57 0.00 0.00 179.45 177.48 1jr2 h TRP 91 N 0.39 0.90 0.00 -1.35 4.06 -1.19 -2.73 115.95 116.03 1jr2 h TRP 91 Ca 0.11 -0.11 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1jr2 h TRP 91 Cb -0.03 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 27.88 1jr2 h TRP 91 CO -0.06 0.80 0.00 -0.91 -3.56 0.00 0.00 178.44 174.71 1jr2 h ASN 92 N 0.81 0.00 0.49 -3.49 2.35 -0.75 -0.14 115.58 114.85 1jr2 h ASN 92 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1jr2 h ASN 92 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1jr2 h ASN 92 CO 0.01 0.00 -0.03 0.00 -1.65 0.00 0.00 177.43 175.77 1jr2 n ALA 93 N -1.85 2.56 -2.69 -0.83 0.00 -0.83 -4.82 120.51 112.05 1jr2 n ALA 93 Ca 0.01 -0.17 -0.31 0.00 0.00 0.00 0.00 53.44 52.98 1jr2 n ALA 93 Cb 0.23 -1.46 -0.09 0.00 0.00 0.00 0.00 19.45 18.13 1jr2 n ALA 93 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1jr2 s LYS 94 N -2.52 2.09 0.15 0.00 1.02 -0.06 -5.10 119.74 115.31 1jr2 s LYS 94 Ca 0.30 -2.26 -0.30 0.00 0.02 0.00 0.00 55.97 53.73 1jr2 s LYS 94 Cb 0.20 -1.60 -0.07 0.00 -0.52 0.00 0.00 37.83 35.84 1jr2 s LYS 94 CO 0.46 -0.22 1.22 -1.12 -0.92 0.00 0.00 175.35 174.77 1jr2 s SER 95 N -3.81 7.05 -0.25 2.83 0.01 -1.24 -4.92 113.70 113.38 1jr2 s SER 95 Ca 0.20 2.20 0.03 0.00 1.31 0.00 0.00 55.95 59.68 1jr2 s SER 95 Cb 0.05 -2.60 0.06 0.00 0.21 0.00 0.00 66.02 63.74 1jr2 s SER 95 CO 0.10 -0.43 -0.12 -0.69 0.41 0.00 0.00 173.24 172.52 1jr2 s VAL 96 N 0.32 2.11 -0.12 3.43 1.01 -1.26 -0.76 120.40 125.13 1jr2 s VAL 96 Ca 0.55 -1.53 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 1jr2 s VAL 96 Cb -0.32 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1jr2 s VAL 96 CO 0.34 0.03 0.13 -0.31 0.00 0.00 0.00 175.10 175.30 1jr2 s TYR 97 N 1.14 3.57 -0.01 5.22 1.51 0.07 -4.79 117.35 124.06 1jr2 s TYR 97 Ca -0.07 0.51 0.01 0.00 -1.01 0.00 0.00 57.07 56.50 1jr2 s TYR 97 Cb -0.19 -1.94 0.00 0.00 -0.11 0.00 0.00 41.96 39.72 1jr2 s TYR 97 CO -0.06 0.71 -0.02 0.08 -1.11 0.00 0.00 175.55 175.14 1jr2 s VAL 98 N -0.96 0.23 -0.11 0.71 1.01 -1.26 -1.49 120.40 118.54 1jr2 s VAL 98 Ca 0.15 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1jr2 s VAL 98 Cb -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.04 1jr2 s VAL 98 CO 0.04 0.09 -0.23 -0.69 0.00 0.00 0.00 175.10 174.31 1jr2 s VAL 99 N 0.16 1.99 0.00 2.92 1.01 -0.65 -3.20 120.40 122.63 1jr2 s VAL 99 Ca -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1jr2 s VAL 99 Cb -0.04 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1jr2 s VAL 99 CO -0.00 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1jr2 n GLY 100 N 3.69 2.61 0.15 4.51 0.00 -1.23 -4.16 105.19 110.76 1jr2 n GLY 100 Ca -0.19 -1.56 -0.20 0.00 0.00 0.00 0.00 46.02 44.06 1jr2 n GLY 100 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jr2 h ASN 101 N 0.00 0.68 -0.52 1.61 2.35 -1.96 -1.49 115.58 116.26 1jr2 h ASN 101 Ca 0.00 -0.82 0.04 0.00 -0.55 0.00 0.00 56.30 54.97 1jr2 h ASN 101 Cb 0.00 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.11 1jr2 h ASN 101 CO 0.00 1.42 0.26 0.00 -1.65 0.00 0.00 177.43 177.47 1jr2 h ALA 102 N 0.26 0.66 -0.31 -0.83 0.00 -2.00 -1.65 119.26 115.39 1jr2 h ALA 102 Ca -0.13 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1jr2 h ALA 102 Cb 1.63 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 1jr2 h ALA 102 CO 0.18 -0.08 0.09 1.15 0.00 0.00 0.00 179.25 180.58 1jr2 h THR 103 N 0.51 0.89 -0.77 0.00 2.02 -1.80 -2.35 112.91 111.41 1jr2 h THR 103 Ca 0.23 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.30 1jr2 h THR 103 Cb 0.13 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 1jr2 h THR 103 CO -0.16 0.04 0.34 0.00 0.37 0.00 0.00 175.52 176.11 1jr2 h ALA 104 N 1.21 1.14 -0.64 6.16 0.00 -0.82 0.43 119.26 126.74 1jr2 h ALA 104 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jr2 h ALA 104 Cb 0.13 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1jr2 h ALA 104 CO -0.16 0.63 0.41 1.03 0.00 0.00 0.00 179.25 181.16 1jr2 h SER 105 N 1.11 0.74 -0.30 0.00 0.87 -1.05 -1.50 113.55 113.42 1jr2 h SER 105 Ca 0.26 -0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 60.64 1jr2 h SER 105 Cb 0.16 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1jr2 h SER 105 CO -0.03 0.55 -0.38 -0.07 -0.53 0.00 0.00 176.83 176.37 1jr2 h LEU 106 N 0.86 0.90 -0.98 2.23 3.38 -0.76 -1.76 115.31 119.18 1jr2 h LEU 106 Ca 0.23 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1jr2 h LEU 106 Cb -0.08 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.37 1jr2 h LEU 106 CO -0.05 1.17 0.48 0.58 0.09 0.00 0.00 178.44 180.72 1jr2 h VAL 107 N 0.70 1.25 0.07 1.22 2.07 -0.77 -1.80 116.25 118.99 1jr2 h VAL 107 Ca 0.06 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1jr2 h VAL 107 Cb 0.95 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1jr2 h VAL 107 CO 0.09 0.27 -0.08 -1.28 0.02 0.00 0.00 177.57 176.59 1jr2 h SER 108 N 1.20 -0.22 0.07 0.57 0.87 -1.12 -1.85 113.55 113.08 1jr2 h SER 108 Ca 0.30 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.88 1jr2 h SER 108 Cb 0.01 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1jr2 h SER 108 CO -0.05 -0.13 -0.06 0.11 -0.53 0.00 0.00 176.83 176.18 1jr2 h LYS 109 N -0.18 0.00 -0.01 2.24 1.57 -0.68 -0.76 116.57 118.76 1jr2 h LYS 109 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1jr2 h LYS 109 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1jr2 h LYS 109 CO -0.03 0.06 -0.07 0.44 -0.57 0.00 0.00 179.45 179.27 1jr2 n ILE 110 N -4.30 0.00 0.00 1.86 -5.35 -0.74 -4.93 119.36 105.91 1jr2 n ILE 110 Ca -0.03 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 1jr2 n ILE 110 Cb 0.14 0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.14 1jr2 n ILE 110 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jr2 n GLY 111 N 1.20 0.76 3.75 3.28 0.00 -0.29 -5.03 105.19 108.86 1jr2 n GLY 111 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1jr2 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jr2 s LEU 112 N 0.00 4.35 -0.71 0.99 1.43 -0.71 -4.95 118.68 119.09 1jr2 s LEU 112 Ca 0.00 0.96 -0.26 0.00 -1.03 0.00 0.00 54.13 53.80 1jr2 s LEU 112 Cb 0.00 -2.77 0.04 0.00 0.03 0.00 0.00 46.19 43.49 1jr2 s LEU 112 CO 0.00 0.07 1.20 -1.81 0.23 0.00 0.00 176.35 176.04 1jr2 s ASP 113 N 0.13 6.19 0.00 2.29 1.11 -1.26 -3.82 116.67 121.30 1jr2 s ASP 113 Ca 0.28 -0.52 0.00 0.00 0.18 0.00 0.00 52.55 52.49 1jr2 s ASP 113 Cb -0.16 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.30 1jr2 s ASP 113 CO 0.13 -1.72 0.00 0.41 1.18 0.00 0.00 175.17 175.18 1jr2 n THR 114 N 6.30 0.00 -4.32 -1.27 -1.04 -1.26 -4.74 114.28 107.94 1jr2 n THR 114 Ca 0.02 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.71 1jr2 n THR 114 Cb 0.48 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.89 1jr2 n THR 114 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1jr2 n GLU 115 N 2.63 -0.92 -0.84 -2.82 1.02 -1.26 -4.67 120.64 113.78 1jr2 n GLU 115 Ca 0.00 0.09 0.09 0.00 -0.02 0.00 0.00 57.16 57.33 1jr2 n GLU 115 Cb 0.00 -3.64 -0.03 0.00 -0.02 0.00 0.00 31.44 27.75 1jr2 n GLU 115 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jr2 n GLY 116 N -2.46 -1.10 1.50 0.62 0.00 -1.26 -4.88 105.19 97.61 1jr2 n GLY 116 Ca -0.29 -0.54 -0.08 0.00 0.00 0.00 0.00 46.02 45.10 1jr2 n GLY 116 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1jr2 n GLU 117 N -2.73 -0.91 0.00 1.61 0.28 -1.26 -4.82 120.64 112.81 1jr2 n GLU 117 Ca -0.01 -0.39 0.00 0.00 -0.16 0.00 0.00 57.16 56.60 1jr2 n GLU 117 Cb 0.59 -0.75 0.00 0.00 1.43 0.00 0.00 31.44 32.71 1jr2 n GLU 117 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1jr2 n THR 118 N -3.53 0.00 -3.63 3.84 -1.04 -1.24 -5.00 114.28 103.68 1jr2 n THR 118 Ca 0.04 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.91 1jr2 n THR 118 Cb 0.16 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.60 1jr2 n THR 118 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jr2 h GLY 120 N 4.76 0.00 -1.85 0.00 0.00 -1.94 -3.27 103.07 100.77 1jr2 h GLY 120 Ca -0.29 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.92 1jr2 h GLY 120 CO 0.08 0.00 -0.06 0.54 0.00 0.00 0.00 176.54 177.09 1jr2 s ASN 121 N -6.35 0.26 0.20 0.19 4.22 -1.26 -4.61 114.94 107.59 1jr2 s ASN 121 Ca 0.04 -1.14 -0.02 0.00 -2.14 0.00 0.00 52.86 49.59 1jr2 s ASN 121 Cb 0.07 0.66 0.14 0.00 1.28 0.00 0.00 41.25 43.41 1jr2 s ASN 121 CO 0.74 -1.30 1.52 0.00 -2.04 0.00 0.00 177.10 176.03 1jr2 h ALA 122 N 2.15 0.73 -0.41 3.54 0.00 -1.98 -2.14 119.26 121.16 1jr2 h ALA 122 Ca -0.28 -0.50 0.06 0.00 0.00 0.00 0.00 54.91 54.20 1jr2 h ALA 122 Cb 1.25 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1jr2 h ALA 122 CO 0.37 0.68 0.08 0.93 0.00 0.00 0.00 179.25 181.31 1jr2 h GLU 123 N 0.42 0.21 -0.33 0.00 3.07 -1.99 0.17 114.58 116.12 1jr2 h GLU 123 Ca 0.01 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.74 1jr2 h GLU 123 Cb 1.06 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.91 1jr2 h GLU 123 CO 0.10 0.14 -0.28 -0.22 -1.40 0.00 0.00 179.01 177.35 1jr2 h LYS 124 N 0.21 0.69 -0.32 2.33 1.63 -1.93 -2.04 116.57 117.14 1jr2 h LYS 124 Ca 0.20 -0.29 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1jr2 h LYS 124 Cb 0.24 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 1jr2 h LYS 124 CO -0.26 0.89 0.17 1.25 -3.45 0.00 0.00 179.45 178.05 1jr2 h LEU 125 N 0.59 0.41 -0.56 5.20 5.85 -0.70 0.10 115.31 126.21 1jr2 h LEU 125 Ca 0.08 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1jr2 h LEU 125 Cb 0.77 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1jr2 h LEU 125 CO 0.06 0.39 0.35 0.00 -0.34 0.00 0.00 178.44 178.91 1jr2 h ALA 126 N 1.04 0.71 0.03 1.25 0.00 -0.47 0.21 119.26 122.03 1jr2 h ALA 126 Ca 0.11 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1jr2 h ALA 126 Cb 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1jr2 h ALA 126 CO -0.02 0.10 -0.28 0.93 0.00 0.00 0.00 179.25 179.99 1jr2 h GLU 127 N 0.71 -0.43 -0.63 0.00 5.08 -1.07 0.21 114.58 118.46 1jr2 h GLU 127 Ca 0.21 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.69 1jr2 h GLU 127 Cb -0.04 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 1jr2 h GLU 127 CO -0.07 -0.29 0.26 -0.92 -1.00 0.00 0.00 179.01 177.00 1jr2 h TYR 128 N -0.44 0.47 0.02 4.33 3.20 0.14 -0.73 116.97 123.95 1jr2 h TYR 128 Ca 0.05 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1jr2 h TYR 128 Cb 0.51 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1jr2 h TYR 128 CO -0.30 0.14 -0.01 0.82 -1.64 0.00 0.00 178.16 177.18 1jr2 h ILE 129 N 0.47 1.34 -0.08 1.81 2.04 -0.29 -3.31 117.51 119.48 1jr2 h ILE 129 Ca 0.31 -1.11 -0.07 0.00 1.00 0.00 0.00 64.86 64.99 1jr2 h ILE 129 Cb 0.36 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 1jr2 h ILE 129 CO -0.29 0.28 -0.29 0.00 0.00 0.00 0.00 178.15 177.86 1jr2 n SER 131 N -4.15 0.00 -4.52 0.00 3.41 -0.30 -4.82 113.62 103.23 1jr2 n SER 131 Ca -0.01 -0.82 -0.25 0.00 -0.26 0.00 0.00 58.87 57.52 1jr2 n SER 131 Cb 0.37 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.18 1jr2 n SER 131 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jr2 s ARG 132 N -2.08 1.77 0.53 4.33 0.52 -0.92 -5.09 118.95 118.01 1jr2 s ARG 132 Ca 0.42 -1.90 -0.21 0.00 -0.52 0.00 0.00 55.73 53.52 1jr2 s ARG 132 Cb 0.20 -1.62 -0.06 0.00 0.52 0.00 0.00 34.95 34.00 1jr2 s ARG 132 CO 0.36 0.13 1.21 -1.21 0.02 0.00 0.00 175.30 175.81 1jr2 s GLU 133 N -3.62 3.34 0.29 3.54 2.02 -1.26 -4.97 118.70 118.04 1jr2 s GLU 133 Ca 0.32 1.86 0.07 0.00 0.02 0.00 0.00 54.97 57.24 1jr2 s GLU 133 Cb 0.02 -2.17 -0.06 0.00 0.10 0.00 0.00 34.13 32.02 1jr2 s GLU 133 CO 0.16 -0.92 -0.07 -1.54 0.02 0.00 0.00 175.26 172.91 1jr2 s SER 134 N -1.41 2.94 0.62 -0.19 1.04 -1.26 -5.05 113.70 110.39 1jr2 s SER 134 Ca 0.71 -1.19 -0.11 0.00 0.48 0.00 0.00 55.95 55.84 1jr2 s SER 134 Cb -0.31 -0.20 -0.04 0.00 0.10 0.00 0.00 66.02 65.57 1jr2 s SER 134 CO 0.35 -0.31 1.02 -0.55 0.98 0.00 0.00 173.24 174.74 1jr2 s SER 135 N -3.47 6.19 0.39 7.02 0.15 -1.26 -4.99 113.70 117.73 1jr2 s SER 135 Ca 0.30 1.38 0.20 0.00 0.70 0.00 0.00 55.95 58.53 1jr2 s SER 135 Cb 0.03 -2.43 0.75 0.00 -1.71 0.00 0.00 66.02 62.66 1jr2 s SER 135 CO 0.13 -0.88 1.76 0.00 1.20 0.00 0.00 173.24 175.45 1jr2 h ALA 136 N -0.31 1.02 -2.42 5.45 0.00 -1.99 -3.45 119.26 117.55 1jr2 h ALA 136 Ca -0.44 -0.31 -0.51 0.00 0.00 0.00 0.00 54.91 53.65 1jr2 h ALA 136 Cb 1.19 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1jr2 h ALA 136 CO 0.62 0.42 0.05 -0.51 0.00 0.00 0.00 179.25 179.84 1jr2 s LEU 137 N -7.05 4.17 0.41 0.00 1.43 -1.26 -4.90 118.68 111.48 1jr2 s LEU 137 Ca -0.00 1.24 -0.25 0.00 -1.03 0.00 0.00 54.13 54.09 1jr2 s LEU 137 Cb 0.11 -3.82 -0.08 0.00 0.03 0.00 0.00 46.19 42.43 1jr2 s LEU 137 CO 0.68 -0.10 1.24 -2.16 0.23 0.00 0.00 176.35 176.24 1jr2 s PRO 138 N -2.60 3.98 0.19 1.29 0.04 -1.26 -3.24 135.00 133.39 1jr2 s PRO 138 Ca 0.49 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 63.24 1jr2 s PRO 138 Cb -0.12 -2.70 -0.08 0.00 0.04 0.00 0.00 34.50 31.64 1jr2 s PRO 138 CO 0.19 -0.44 1.03 -0.51 0.04 0.00 0.00 177.00 177.31 1jr2 s LEU 139 N -2.50 4.54 -0.13 -3.56 1.43 -0.61 -0.36 118.68 117.49 1jr2 s LEU 139 Ca 0.57 2.01 -0.24 0.00 -1.03 0.00 0.00 54.13 55.44 1jr2 s LEU 139 Cb -0.35 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.24 1jr2 s LEU 139 CO 0.44 -0.09 0.75 -0.22 0.23 0.00 0.00 176.35 177.46 1jr2 s LEU 140 N -0.59 4.22 -0.46 1.79 2.96 -0.40 0.10 118.68 126.31 1jr2 s LEU 140 Ca 0.46 1.12 0.02 0.00 -0.22 0.00 0.00 54.13 55.51 1jr2 s LEU 140 Cb -0.27 -3.11 0.13 0.00 0.50 0.00 0.00 46.19 43.44 1jr2 s LEU 140 CO 0.34 -0.27 0.24 0.12 -1.32 0.00 0.00 176.35 175.46 1jr2 s PHE 141 N 1.60 2.25 0.00 5.38 5.36 0.26 -0.81 117.98 132.02 1jr2 s PHE 141 Ca 0.36 -2.59 -0.30 0.00 -0.96 0.00 0.00 56.93 53.44 1jr2 s PHE 141 Cb -0.17 -2.10 -0.06 0.00 -0.34 0.00 0.00 43.02 40.35 1jr2 s PHE 141 CO 0.14 -0.77 1.51 -1.25 -1.46 0.00 0.00 175.22 173.38 1jr2 s PRO 142 N 0.23 4.24 0.10 10.12 0.04 -1.25 -0.91 135.00 147.56 1jr2 s PRO 142 Ca 0.17 2.09 0.01 0.00 0.04 0.00 0.00 61.00 63.32 1jr2 s PRO 142 Cb -0.25 -3.65 -0.00 0.00 0.04 0.00 0.00 34.50 30.64 1jr2 s PRO 142 CO 0.00 -0.67 0.11 0.00 0.04 0.00 0.00 177.00 176.48 1jr2 n GLY 144 N -0.18 0.77 3.69 0.00 0.00 -1.26 -0.91 105.19 107.31 1jr2 n GLY 144 Ca 0.02 -1.85 -0.44 0.00 0.00 0.00 0.00 46.02 43.74 1jr2 n GLY 144 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jr2 n ASN 145 N 0.00 3.46 -0.06 1.61 5.15 -1.21 -4.55 115.26 119.66 1jr2 n ASN 145 Ca 0.00 1.08 0.02 0.00 -0.60 0.00 0.00 54.58 55.08 1jr2 n ASN 145 Cb 0.00 -1.49 0.34 0.00 -0.53 0.00 0.00 39.78 38.10 1jr2 n ASN 145 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1jr2 h LEU 146 N 6.10 0.59 -2.04 1.20 5.85 -1.94 -2.12 115.31 122.95 1jr2 h LEU 146 Ca -0.44 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.31 1jr2 h LEU 146 Cb 1.23 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1jr2 h LEU 146 CO 0.90 0.47 0.18 0.11 -0.34 0.00 0.00 178.44 179.76 1jr2 h LYS 147 N 0.68 0.00 -0.33 1.25 1.57 -2.05 -2.24 116.57 115.45 1jr2 h LYS 147 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1jr2 h LYS 147 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1jr2 h LYS 147 CO -0.03 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.39 1jr2 n ARG 148 N -4.37 2.36 -3.65 3.15 1.74 -0.80 -4.93 116.66 110.16 1jr2 n ARG 148 Ca 0.03 -2.16 -0.37 0.00 -0.77 0.00 0.00 57.85 54.58 1jr2 n ARG 148 Cb 0.32 -1.47 -0.07 0.00 -1.02 0.00 0.00 32.46 30.23 1jr2 n ARG 148 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1jr2 s GLU 149 N -1.44 3.95 -0.02 5.56 0.41 -0.85 -4.99 118.70 121.33 1jr2 s GLU 149 Ca 0.35 0.06 0.18 0.00 -0.41 0.00 0.00 54.97 55.14 1jr2 s GLU 149 Cb 0.21 -3.32 -0.25 0.00 -1.78 0.00 0.00 34.13 28.99 1jr2 s GLU 149 CO 0.29 0.49 0.49 0.44 -0.49 0.00 0.00 175.26 176.48 1jr2 n ILE 150 N 2.76 0.00 -0.27 -1.63 -5.35 -1.26 -4.58 119.36 109.03 1jr2 n ILE 150 Ca -0.15 -0.32 -0.05 0.00 -0.27 0.00 0.00 62.75 61.96 1jr2 n ILE 150 Cb 0.53 0.34 0.06 0.00 -1.74 0.00 0.00 39.64 38.83 1jr2 n ILE 150 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1jr2 h LEU 151 N 0.00 0.86 -0.38 7.28 5.85 -1.94 -2.63 115.31 124.36 1jr2 h LEU 151 Ca 0.00 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.76 1jr2 h LEU 151 Cb 0.70 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 1jr2 h LEU 151 CO 0.00 0.63 0.03 -0.65 -0.34 0.00 0.00 178.44 178.11 1jr2 h PRO 152 N 1.01 0.14 -0.33 5.25 0.11 -1.98 -0.92 132.00 135.28 1jr2 h PRO 152 Ca 0.27 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.36 1jr2 h PRO 152 Cb -0.11 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 1jr2 h PRO 152 CO -0.06 0.09 0.15 0.87 -0.21 0.00 0.00 178.00 178.85 1jr2 h LYS 153 N 0.15 0.48 -0.81 1.05 1.57 -1.85 -1.10 116.57 116.06 1jr2 h LYS 153 Ca 0.18 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1jr2 h LYS 153 Cb 0.24 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1jr2 h LYS 153 CO -0.28 0.46 0.53 0.00 -0.57 0.00 0.00 179.45 179.59 1jr2 h ALA 154 N 1.00 1.47 0.07 3.86 0.00 -1.06 0.11 119.26 124.71 1jr2 h ALA 154 Ca 0.11 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1jr2 h ALA 154 Cb 0.14 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1jr2 h ALA 154 CO -0.01 0.47 -0.45 -0.07 0.00 0.00 0.00 179.25 179.19 1jr2 h LEU 155 N 1.04 0.27 -0.66 0.00 3.38 -1.07 -3.22 115.31 115.06 1jr2 h LEU 155 Ca 0.31 -0.95 0.01 0.00 0.09 0.00 0.00 57.88 57.33 1jr2 h LEU 155 Cb -0.04 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1jr2 h LEU 155 CO -0.08 1.20 0.43 0.50 0.09 0.00 0.00 178.44 180.58 1jr2 h LYS 156 N -0.62 0.87 -0.52 1.13 1.63 -1.03 -0.49 116.57 117.54 1jr2 h LYS 156 Ca -0.08 -0.06 0.15 0.00 -0.85 0.00 0.00 60.65 59.82 1jr2 h LYS 156 Cb 1.33 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 32.75 1jr2 h LYS 156 CO 0.08 0.58 0.42 -0.44 -3.45 0.00 0.00 179.45 176.64 1jr2 h ASP 157 N 0.89 0.00 -0.50 4.20 3.45 -0.88 0.76 116.42 124.34 1jr2 h ASP 157 Ca 0.24 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.70 1jr2 h ASP 157 Cb -0.09 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.68 1jr2 h ASP 157 CO -0.05 0.00 0.00 0.29 -1.57 0.00 0.00 179.24 177.91 1jr2 n LYS 158 N -4.13 3.85 -1.09 3.56 5.02 -0.43 -4.95 118.16 119.99 1jr2 n LYS 158 Ca 0.10 -2.90 -0.01 0.00 -2.02 0.00 0.00 58.31 53.47 1jr2 n LYS 158 Cb 0.63 -1.95 -0.01 0.00 -0.02 0.00 0.00 35.03 33.68 1jr2 n LYS 158 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jr2 n GLY 159 N 0.50 0.47 3.69 0.72 0.00 0.26 -5.03 105.19 105.79 1jr2 n GLY 159 Ca 0.24 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 1jr2 n GLY 159 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jr2 s ILE 160 N -2.05 5.27 0.16 -0.61 -1.09 -0.33 -5.00 121.20 117.57 1jr2 s ILE 160 Ca 0.00 0.54 -0.30 0.00 -2.23 0.00 0.00 60.65 58.66 1jr2 s ILE 160 Cb 0.00 -3.65 -0.07 0.00 -1.58 0.00 0.00 42.46 37.16 1jr2 s ILE 160 CO 0.00 0.32 1.11 0.00 -1.23 0.00 0.00 174.94 175.14 1jr2 s ALA 161 N 0.95 3.37 -0.06 9.38 0.00 -1.26 -3.82 121.76 130.32 1jr2 s ALA 161 Ca 0.16 0.82 -0.13 0.00 0.00 0.00 0.00 51.96 52.81 1jr2 s ALA 161 Cb -0.14 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.64 1jr2 s ALA 161 CO 0.06 -0.24 0.31 1.41 0.00 0.00 0.00 175.76 177.30 1jr2 s MET 162 N -0.20 0.53 -0.16 0.00 0.00 -1.26 -1.58 119.30 116.64 1jr2 s MET 162 Ca 0.50 0.10 0.01 0.00 0.00 0.00 0.00 55.69 56.30 1jr2 s MET 162 Cb -0.29 0.24 0.02 0.00 0.00 0.00 0.00 34.83 34.80 1jr2 s MET 162 CO 0.34 -0.12 -0.17 -2.00 0.00 0.00 0.00 175.02 173.07 1jr2 s GLU 163 N -0.65 2.68 -0.01 4.11 2.12 0.11 -4.85 118.70 122.22 1jr2 s GLU 163 Ca -0.07 -0.71 -0.03 0.00 0.36 0.00 0.00 54.97 54.52 1jr2 s GLU 163 Cb -0.04 -2.36 -0.04 0.00 0.26 0.00 0.00 34.13 31.95 1jr2 s GLU 163 CO 0.02 -0.22 0.18 -1.54 -0.54 0.00 0.00 175.26 173.16 1jr2 s SER 164 N 1.36 6.33 -0.04 -1.70 1.04 -1.26 -0.57 113.70 118.87 1jr2 s SER 164 Ca 0.05 0.33 -0.01 0.00 0.48 0.00 0.00 55.95 56.80 1jr2 s SER 164 Cb -0.13 -1.98 0.03 0.00 0.10 0.00 0.00 66.02 64.04 1jr2 s SER 164 CO -0.12 0.26 0.05 -0.51 0.98 0.00 0.00 173.24 173.91 1jr2 s ILE 165 N -1.32 -0.08 -0.39 -1.02 2.07 -0.09 -4.91 121.20 115.47 1jr2 s ILE 165 Ca 0.27 0.36 -0.29 0.00 -1.41 0.00 0.00 60.65 59.57 1jr2 s ILE 165 Cb -0.13 -0.14 0.02 0.00 0.13 0.00 0.00 42.46 42.34 1jr2 s ILE 165 CO 0.18 0.16 1.16 -0.89 -1.91 0.00 0.00 174.94 173.64 1jr2 s THR 166 N 1.84 4.27 -0.62 4.00 2.01 -1.26 -0.18 115.64 125.70 1jr2 s THR 166 Ca 0.01 1.38 0.09 0.00 0.31 0.00 0.00 61.69 63.48 1jr2 s THR 166 Cb -0.12 -4.44 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 1jr2 s THR 166 CO -0.03 -0.73 0.48 1.33 -0.69 0.00 0.00 174.62 174.98 1jr2 n VAL 167 N 6.44 0.00 -3.73 3.82 0.24 -0.08 -4.45 118.33 120.56 1jr2 n VAL 167 Ca 0.13 -0.36 -0.10 0.00 -2.04 0.00 0.00 64.34 61.97 1jr2 n VAL 167 Cb 0.48 1.06 -0.04 0.00 -1.47 0.00 0.00 33.84 33.87 1jr2 n VAL 167 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 1jr2 s TYR 168 N -1.48 -0.12 -0.09 6.34 -0.85 -1.18 -0.06 117.35 119.90 1jr2 s TYR 168 Ca 0.05 -0.22 -0.30 0.00 -0.52 0.00 0.00 57.07 56.09 1jr2 s TYR 168 Cb 0.07 0.40 0.11 0.00 0.38 0.00 0.00 41.96 42.92 1jr2 s TYR 168 CO 0.27 -0.92 0.93 1.14 -1.52 0.00 0.00 175.55 175.45 1jr2 s GLN 169 N -3.87 0.71 0.23 -3.49 -2.07 -0.84 -3.28 119.66 107.06 1jr2 s GLN 169 Ca 0.09 -0.02 -0.30 0.00 -1.82 0.00 0.00 55.36 53.31 1jr2 s GLN 169 Cb -0.01 0.33 -0.09 0.00 -1.09 0.00 0.00 33.01 32.15 1jr2 s GLN 169 CO -0.03 -0.26 1.11 0.99 -1.32 0.00 0.00 175.29 175.78 1jr2 s THR 170 N -1.92 3.62 0.19 3.63 2.01 -1.26 -1.95 115.64 119.96 1jr2 s THR 170 Ca 0.00 1.51 0.01 0.00 0.31 0.00 0.00 61.69 63.53 1jr2 s THR 170 Cb -0.01 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 1jr2 s THR 170 CO -0.02 0.31 0.03 0.68 -0.69 0.00 0.00 174.62 174.94 1jr2 s VAL 171 N -0.72 0.57 0.19 3.82 -7.23 0.05 -4.94 120.40 112.13 1jr2 s VAL 171 Ca 0.47 -1.98 -0.33 0.00 -1.81 0.00 0.00 61.98 58.33 1jr2 s VAL 171 Cb -0.31 -2.25 -0.14 0.00 0.56 0.00 0.00 36.38 34.24 1jr2 s VAL 171 CO 0.38 -0.34 1.48 0.00 -0.31 0.00 0.00 175.10 176.31 1jr2 n ALA 172 N -0.28 1.02 -1.77 1.32 0.00 -1.26 -0.85 120.51 118.69 1jr2 n ALA 172 Ca -0.04 0.44 -0.42 0.00 0.00 0.00 0.00 53.44 53.41 1jr2 n ALA 172 Cb 0.64 -2.29 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 1jr2 n ALA 172 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1jr2 s HIS 173 N 0.44 1.52 -0.81 0.00 2.46 -0.12 -4.62 115.29 114.16 1jr2 s HIS 173 Ca 0.75 -0.26 0.14 0.00 0.47 0.00 0.00 55.06 56.16 1jr2 s HIS 173 Cb -0.69 -4.15 0.63 0.00 -0.13 0.00 0.00 32.58 28.23 1jr2 s HIS 173 CO 0.44 -5.07 1.45 -0.35 -2.47 0.00 0.00 174.74 168.74 1jr2 n PRO 174 N 7.31 0.06 0.00 2.88 -0.04 -1.26 -2.21 135.00 141.74 1jr2 n PRO 174 Ca 0.19 0.37 0.14 0.00 -0.04 0.00 0.00 63.50 64.16 1jr2 n PRO 174 Cb 0.41 -1.62 0.56 0.00 -0.04 0.00 0.00 33.50 32.80 1jr2 n PRO 174 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jr2 n GLY 175 N -0.40 -0.56 0.27 0.55 0.00 -1.26 -4.59 105.19 99.20 1jr2 n GLY 175 Ca 0.02 -0.35 -0.07 0.00 0.00 0.00 0.00 46.02 45.62 1jr2 n GLY 175 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jr2 h ILE 176 N 1.25 0.38 0.12 -0.61 2.04 -1.72 0.18 117.51 119.15 1jr2 h ILE 176 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1jr2 h ILE 176 Cb 0.41 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1jr2 h ILE 176 CO 0.00 0.00 -0.06 -0.61 0.00 0.00 0.00 178.15 177.48 1jr2 h GLN 177 N -0.20 -0.16 -0.47 2.37 4.15 -1.86 -0.32 115.11 118.63 1jr2 h GLN 177 Ca 0.17 0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.46 1jr2 h GLN 177 Cb 0.46 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 1jr2 h GLN 177 CO -0.44 -0.09 -0.23 0.78 -1.93 0.00 0.00 178.83 176.92 1jr2 h GLY 178 N -0.18 1.05 0.91 2.39 0.00 -1.82 -0.83 103.07 104.59 1jr2 h GLY 178 Ca -0.02 -0.94 -0.04 0.00 0.00 0.00 0.00 47.33 46.33 1jr2 h GLY 178 CO 0.03 0.85 0.04 3.43 0.00 0.00 0.00 176.54 180.89 1jr2 h ASN 179 N 0.83 0.55 -0.54 0.19 2.35 -0.51 -1.81 115.58 116.64 1jr2 h ASN 179 Ca 0.11 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1jr2 h ASN 179 Cb 0.80 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 1jr2 h ASN 179 CO 0.07 0.68 0.28 -0.07 -1.65 0.00 0.00 177.43 176.74 1jr2 h LEU 180 N 0.39 0.69 -0.19 1.61 3.38 -1.05 -0.94 115.31 119.20 1jr2 h LEU 180 Ca 0.10 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1jr2 h LEU 180 Cb 0.37 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1jr2 h LEU 180 CO 0.01 0.60 -0.23 -1.13 0.09 0.00 0.00 178.44 177.78 1jr2 h ASN 181 N 0.72 -0.73 -0.83 -0.43 -0.00 -0.99 0.61 115.58 113.93 1jr2 h ASN 181 Ca 0.19 0.13 0.01 0.00 -0.00 0.00 0.00 56.30 56.62 1jr2 h ASN 181 Cb 0.07 0.34 -0.04 0.00 -0.00 0.00 0.00 38.32 38.69 1jr2 h ASN 181 CO -0.03 -0.27 0.55 -1.28 -0.00 0.00 0.00 177.43 176.39 1jr2 h SER 182 N -0.26 0.96 0.06 1.15 0.87 -1.23 0.12 113.55 115.21 1jr2 h SER 182 Ca 0.12 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1jr2 h SER 182 Cb 0.44 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1jr2 h SER 182 CO -0.34 0.70 -0.03 0.22 -0.53 0.00 0.00 176.83 176.85 1jr2 h TYR 183 N 1.13 -0.07 -0.50 2.24 3.20 -0.70 -0.11 116.97 122.16 1jr2 h TYR 183 Ca 0.30 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.12 1jr2 h TYR 183 Cb -0.12 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 1jr2 h TYR 183 CO -0.01 0.06 0.10 1.88 -1.64 0.00 0.00 178.16 178.55 1jr2 h TYR 184 N -0.18 0.78 -0.39 -3.82 -1.99 -0.60 0.98 116.97 111.75 1jr2 h TYR 184 Ca -0.01 -0.07 -0.13 0.00 2.00 0.00 0.00 58.73 60.52 1jr2 h TYR 184 Cb 0.16 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.65 1jr2 h TYR 184 CO -0.04 0.67 -0.26 0.77 -0.00 0.00 0.00 178.16 179.30 1jr2 h SER 185 N 0.73 0.91 0.50 3.88 0.02 -0.58 0.10 113.55 119.12 1jr2 h SER 185 Ca 0.16 -0.43 -0.29 0.00 -0.84 0.00 0.00 61.79 60.39 1jr2 h SER 185 Cb 0.30 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1jr2 h SER 185 CO 0.00 1.14 -1.55 1.56 -1.14 0.00 0.00 176.83 176.85 1jr2 h GLN 186 N 0.68 0.15 -0.00 3.45 4.20 -0.85 -3.40 115.11 119.34 1jr2 h GLN 186 Ca 0.08 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1jr2 h GLN 186 Cb 0.84 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.72 1jr2 h GLN 186 CO 0.07 0.95 -0.07 1.04 -0.67 0.00 0.00 178.83 180.15 1jr2 n GLN 187 N -3.34 4.59 -0.01 1.46 6.02 0.33 -5.09 117.38 121.34 1jr2 n GLN 187 Ca -0.16 -0.16 0.00 0.00 -0.01 0.00 0.00 57.00 56.68 1jr2 n GLN 187 Cb 1.03 -0.71 -0.00 0.00 1.02 0.00 0.00 30.24 31.59 1jr2 n GLN 187 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jr2 n GLY 188 N 0.82 -2.24 3.70 1.08 0.00 0.02 -4.82 105.19 103.76 1jr2 n GLY 188 Ca 0.01 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1jr2 n GLY 188 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jr2 s VAL 189 N -0.82 2.91 0.59 1.61 1.01 -1.26 -4.42 120.40 120.02 1jr2 s VAL 189 Ca 0.00 0.54 -0.16 0.00 0.00 0.00 0.00 61.98 62.35 1jr2 s VAL 189 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1jr2 s VAL 189 CO 0.00 0.02 1.07 -2.16 0.00 0.00 0.00 175.10 174.03 1jr2 s PRO 190 N 1.85 3.26 0.35 2.72 0.04 -1.26 -4.94 135.00 137.01 1jr2 s PRO 190 Ca 0.71 1.30 0.14 0.00 0.04 0.00 0.00 61.00 63.20 1jr2 s PRO 190 Cb -0.41 -2.02 0.62 0.00 0.04 0.00 0.00 34.50 32.73 1jr2 s PRO 190 CO 0.31 -0.87 1.74 0.00 0.04 0.00 0.00 177.00 178.22 1jr2 h ALA 191 N 0.55 1.14 -2.50 8.56 0.00 -1.44 -3.43 119.26 122.14 1jr2 h ALA 191 Ca -0.47 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 53.92 1jr2 h ALA 191 Cb 1.23 -0.07 -0.21 0.00 0.00 0.00 0.00 17.79 18.74 1jr2 h ALA 191 CO 0.57 0.56 -0.19 0.45 0.00 0.00 0.00 179.25 180.64 1jr2 s SER 192 N -6.74 -0.35 -0.05 0.00 0.15 -1.25 -1.29 113.70 104.18 1jr2 s SER 192 Ca -0.02 0.44 0.05 0.00 0.70 0.00 0.00 55.95 57.13 1jr2 s SER 192 Cb 0.13 0.54 -0.00 0.00 -1.71 0.00 0.00 66.02 64.97 1jr2 s SER 192 CO 0.72 -0.37 -0.20 -0.63 1.20 0.00 0.00 173.24 173.96 1jr2 s ILE 193 N -0.78 1.66 -0.14 6.45 1.01 -0.94 -0.98 121.20 127.48 1jr2 s ILE 193 Ca -0.09 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 1jr2 s ILE 193 Cb -0.04 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 1jr2 s ILE 193 CO 0.04 0.47 -0.11 -0.89 0.00 0.00 0.00 174.94 174.45 1jr2 s THR 194 N 0.01 3.17 -0.07 2.92 2.01 -0.12 -0.37 115.64 123.17 1jr2 s THR 194 Ca -0.05 -0.61 -0.05 0.00 0.31 0.00 0.00 61.69 61.29 1jr2 s THR 194 Cb -0.13 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 1jr2 s THR 194 CO 0.03 0.51 0.15 -0.36 -0.69 0.00 0.00 174.62 174.26 1jr2 s PHE 195 N 0.50 3.56 -0.96 4.92 0.40 -0.30 -1.65 117.98 124.45 1jr2 s PHE 195 Ca -0.08 0.45 0.11 0.00 -0.60 0.00 0.00 56.93 56.81 1jr2 s PHE 195 Cb -0.15 -1.89 -0.02 0.00 0.51 0.00 0.00 43.02 41.46 1jr2 s PHE 195 CO 0.04 0.69 0.65 1.19 0.70 0.00 0.00 175.22 178.49 1jr2 n PHE 196 N 1.58 0.00 -3.50 0.36 3.01 -1.26 -1.83 117.46 115.80 1jr2 n PHE 196 Ca -0.16 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.20 1jr2 n PHE 196 Cb 0.54 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.98 1jr2 n PHE 196 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1jr2 s SER 197 N -1.58 -0.42 0.26 4.37 1.04 -1.26 -4.87 113.70 111.23 1jr2 s SER 197 Ca 0.09 0.13 -0.04 0.00 0.48 0.00 0.00 55.95 56.61 1jr2 s SER 197 Cb 0.09 0.42 0.36 0.00 0.10 0.00 0.00 66.02 66.98 1jr2 s SER 197 CO 0.32 -0.62 1.89 -0.65 0.98 0.00 0.00 173.24 175.15 1jr2 h PRO 198 N 2.18 1.15 -0.90 4.02 0.11 -1.87 -2.63 132.00 134.06 1jr2 h PRO 198 Ca -0.24 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 1jr2 h PRO 198 Cb 1.23 -0.26 -0.04 0.00 0.11 0.00 0.00 31.00 32.04 1jr2 h PRO 198 CO 0.33 0.76 0.56 0.66 -0.21 0.00 0.00 178.00 180.09 1jr2 h SER 199 N 1.18 1.07 -0.70 -2.05 4.64 -1.99 -2.30 113.55 113.39 1jr2 h SER 199 Ca 0.41 -0.06 0.04 0.00 -0.47 0.00 0.00 61.79 61.71 1jr2 h SER 199 Cb 0.09 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 61.86 1jr2 h SER 199 CO -0.15 0.81 0.43 1.23 -0.87 0.00 0.00 176.83 178.28 1jr2 h GLY 200 N 1.23 1.02 0.99 -0.77 0.00 -1.83 0.86 103.07 104.58 1jr2 h GLY 200 Ca 0.32 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 1jr2 h GLY 200 CO -0.06 0.24 -0.03 -2.00 0.00 0.00 0.00 176.54 174.69 1jr2 h LEU 201 N 0.81 -0.07 -0.90 3.11 5.85 -1.23 -1.91 115.31 120.98 1jr2 h LEU 201 Ca 0.29 0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.06 1jr2 h LEU 201 Cb 0.09 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 1jr2 h LEU 201 CO -0.14 -0.05 0.58 0.74 -0.34 0.00 0.00 178.44 179.23 1jr2 h THR 202 N -0.07 1.12 0.00 1.05 2.02 -0.86 0.44 112.91 116.61 1jr2 h THR 202 Ca -0.01 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 66.73 1jr2 h THR 202 Cb 0.06 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.39 1jr2 h THR 202 CO 0.01 0.20 -0.31 1.88 0.37 0.00 0.00 175.52 177.66 1jr2 h TYR 203 N 1.10 0.00 0.00 3.16 0.99 -0.72 -3.35 116.97 118.14 1jr2 h TYR 203 Ca 0.37 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.10 1jr2 h TYR 203 Cb 0.05 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.78 1jr2 h TYR 203 CO -0.02 0.31 -1.02 -1.13 -0.00 0.00 0.00 178.16 176.31 1jr2 n SER 204 N -3.68 2.19 -0.04 3.88 3.41 -0.73 -4.82 113.62 113.82 1jr2 n SER 204 Ca -0.01 -0.24 -0.09 0.00 -0.26 0.00 0.00 58.87 58.27 1jr2 n SER 204 Cb 0.42 1.24 -0.03 0.00 -0.26 0.00 0.00 64.21 65.59 1jr2 n SER 204 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1jr2 h LEU 205 N 0.00 0.08 -0.85 1.04 5.85 -1.07 -1.12 115.31 119.24 1jr2 h LEU 205 Ca 0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1jr2 h LEU 205 Cb 0.30 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1jr2 h LEU 205 CO 0.00 0.08 0.48 0.50 -0.34 0.00 0.00 178.44 179.15 1jr2 h LYS 206 N 0.17 1.18 -0.59 1.25 3.64 -1.85 0.22 116.57 120.59 1jr2 h LYS 206 Ca 0.09 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 1jr2 h LYS 206 Cb 0.06 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1jr2 h LYS 206 CO -0.09 0.86 -0.03 0.45 -2.27 0.00 0.00 179.45 178.38 1jr2 h HIS 207 N 1.19 1.16 -0.43 1.91 3.86 -1.78 -0.43 115.15 120.62 1jr2 h HIS 207 Ca 0.30 -0.21 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 1jr2 h HIS 207 Cb 0.02 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.17 1jr2 h HIS 207 CO 0.01 1.03 0.25 0.82 0.86 0.00 0.00 177.93 180.89 1jr2 h ILE 208 N 0.96 1.15 -0.49 2.45 2.04 -0.63 -1.29 117.51 121.70 1jr2 h ILE 208 Ca 0.17 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1jr2 h ILE 208 Cb 0.59 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1jr2 h ILE 208 CO 0.03 0.15 0.31 1.56 0.00 0.00 0.00 178.15 180.21 1jr2 h GLN 209 N 0.57 0.66 -0.24 2.37 4.20 -0.34 0.21 115.11 122.53 1jr2 h GLN 209 Ca 0.15 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.83 1jr2 h GLN 209 Cb 0.03 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1jr2 h GLN 209 CO -0.03 0.46 0.14 0.93 -0.67 0.00 0.00 178.83 179.66 1jr2 h GLU 210 N 0.66 0.28 -0.04 1.46 3.07 -0.91 -1.46 114.58 117.64 1jr2 h GLU 210 Ca 0.18 -0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 58.88 1jr2 h GLU 210 Cb -0.04 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 1jr2 h GLU 210 CO -0.04 0.18 -0.64 -0.07 -1.40 0.00 0.00 179.01 177.05 1jr2 h LEU 211 N 0.28 0.18 0.04 1.33 3.38 -1.04 -3.29 115.31 116.19 1jr2 h LEU 211 Ca 0.10 -0.11 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 1jr2 h LEU 211 Cb 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1jr2 h LEU 211 CO -0.05 0.77 -1.17 0.28 0.09 0.00 0.00 178.44 178.35 1jr2 h SER 212 N 0.11 0.13 0.00 -0.43 0.02 -0.85 -3.49 113.55 109.04 1jr2 h SER 212 Ca -0.01 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1jr2 h SER 212 Cb 1.14 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1jr2 h SER 212 CO 0.09 1.12 0.00 0.61 -1.14 0.00 0.00 176.83 177.51 1jr2 n GLY 213 N 1.44 2.94 0.13 -3.77 0.00 -0.56 -1.60 105.19 103.77 1jr2 n GLY 213 Ca -0.05 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.81 1jr2 n GLY 213 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jr2 n ASP 214 N 1.57 0.71 -0.16 1.61 8.00 -1.26 -2.64 116.55 124.38 1jr2 n ASP 214 Ca 0.00 0.67 0.07 0.00 0.71 0.00 0.00 54.79 56.24 1jr2 n ASP 214 Cb 0.00 -0.82 0.36 0.00 -0.02 0.00 0.00 41.12 40.64 1jr2 n ASP 214 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1jr2 n ASN 215 N -2.27 0.49 0.14 -2.24 3.02 -0.63 -3.87 115.26 109.89 1jr2 n ASN 215 Ca 0.02 -1.65 0.12 0.00 -0.03 0.00 0.00 54.58 53.05 1jr2 n ASN 215 Cb 0.25 -0.04 0.64 0.00 -0.61 0.00 0.00 39.78 40.02 1jr2 n ASN 215 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1jr2 h ILE 216 N 0.61 0.91 0.00 2.41 2.10 -1.58 -0.96 117.51 121.00 1jr2 h ILE 216 Ca 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.92 1jr2 h ILE 216 Cb 0.14 0.85 0.00 0.00 -1.09 0.00 0.00 36.82 36.72 1jr2 h ILE 216 CO 0.00 0.01 0.00 -2.24 -1.08 0.00 0.00 178.15 174.84 1jr2 h ASP 217 N 0.05 0.00 1.22 2.19 2.03 -1.86 -2.50 116.42 117.55 1jr2 h ASP 217 Ca 0.11 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.41 1jr2 h ASP 217 Cb 0.38 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.88 1jr2 h ASP 217 CO -0.01 0.00 -0.14 0.00 -1.03 0.00 0.00 179.24 178.06 1jr2 n GLN 218 N -2.85 0.20 -3.09 4.15 1.13 -0.37 -4.86 117.38 111.69 1jr2 n GLN 218 Ca -0.01 0.14 -0.40 0.00 -1.94 0.00 0.00 57.00 54.80 1jr2 n GLN 218 Cb 0.18 -1.71 -0.05 0.00 0.11 0.00 0.00 30.24 28.78 1jr2 n GLN 218 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1jr2 s ILE 219 N -3.09 5.06 -0.55 5.09 1.01 -0.94 -4.89 121.20 122.89 1jr2 s ILE 219 Ca 0.11 1.34 -0.24 0.00 0.00 0.00 0.00 60.65 61.86 1jr2 s ILE 219 Cb 0.14 -4.00 0.04 0.00 0.01 0.00 0.00 42.46 38.66 1jr2 s ILE 219 CO 0.61 0.24 0.92 -0.54 0.00 0.00 0.00 174.94 176.17 1jr2 s LYS 220 N 0.98 3.31 -0.06 2.79 -0.14 -0.41 -4.94 119.74 121.28 1jr2 s LYS 220 Ca 0.34 -0.32 -0.28 0.00 -1.36 0.00 0.00 55.97 54.36 1jr2 s LYS 220 Cb -0.17 -4.06 -0.03 0.00 -1.68 0.00 0.00 37.83 31.90 1jr2 s LYS 220 CO 0.15 -1.47 0.89 -0.06 -0.76 0.00 0.00 175.35 174.11 1jr2 s PHE 221 N 3.85 3.58 0.19 3.18 0.40 -1.26 -2.21 117.98 125.71 1jr2 s PHE 221 Ca 0.29 1.51 0.08 0.00 -0.60 0.00 0.00 56.93 58.21 1jr2 s PHE 221 Cb -0.13 -3.04 -0.04 0.00 0.51 0.00 0.00 43.02 40.32 1jr2 s PHE 221 CO 0.19 -0.05 -0.04 0.00 0.70 0.00 0.00 175.22 176.01 1jr2 s ALA 222 N 1.28 3.10 -0.04 5.36 0.00 0.50 -0.67 121.76 131.28 1jr2 s ALA 222 Ca 0.46 -1.45 0.05 0.00 0.00 0.00 0.00 51.96 51.02 1jr2 s ALA 222 Cb -0.19 -0.86 -0.00 0.00 0.00 0.00 0.00 23.12 22.06 1jr2 s ALA 222 CO 0.22 0.45 -0.18 0.00 0.00 0.00 0.00 175.76 176.24 1jr2 s ALA 223 N -1.80 1.59 0.08 0.00 0.00 0.07 -1.15 121.76 120.54 1jr2 s ALA 223 Ca 0.27 -0.73 0.33 0.00 0.00 0.00 0.00 51.96 51.83 1jr2 s ALA 223 Cb -0.09 -0.52 1.47 0.00 0.00 0.00 0.00 23.12 23.99 1jr2 s ALA 223 CO 0.17 0.29 1.99 0.97 0.00 0.00 0.00 175.76 179.18 1jr2 h ILE 224 N 5.21 0.00 -2.22 0.00 6.09 -1.68 0.41 117.51 125.32 1jr2 h ILE 224 Ca -0.33 -0.35 0.20 0.00 -1.37 0.00 0.00 64.86 63.02 1jr2 h ILE 224 Cb 1.17 1.27 -0.08 0.00 0.47 0.00 0.00 36.82 39.65 1jr2 h ILE 224 CO 0.48 0.00 0.54 -0.83 -3.07 0.00 0.00 178.15 175.26 1jr2 s GLY 225 N -4.03 -0.24 0.43 8.18 0.00 -1.26 -4.01 107.32 106.39 1jr2 s GLY 225 Ca 0.00 0.18 0.13 0.00 0.00 0.00 0.00 44.72 45.03 1jr2 s GLY 225 CO 0.48 0.11 1.97 -2.55 0.00 0.00 0.00 173.10 173.11 1jr2 h PRO 226 N 2.00 0.08 -0.46 2.90 0.11 -1.89 -1.97 132.00 132.77 1jr2 h PRO 226 Ca -0.25 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.74 1jr2 h PRO 226 Cb 1.23 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1jr2 h PRO 226 CO 0.26 0.25 -0.13 1.15 -0.21 0.00 0.00 178.00 179.32 1jr2 h THR 227 N 0.08 1.27 -0.65 -1.15 2.02 -1.99 -1.69 112.91 110.80 1jr2 h THR 227 Ca 0.02 -1.25 -0.03 0.00 0.77 0.00 0.00 66.41 65.91 1jr2 h THR 227 Cb 0.33 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 1jr2 h THR 227 CO 0.02 0.43 0.30 0.74 0.37 0.00 0.00 175.52 177.38 1jr2 h THR 228 N 0.74 1.23 -0.78 3.16 2.02 -1.85 -1.78 112.91 115.64 1jr2 h THR 228 Ca 0.11 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 1jr2 h THR 228 Cb 0.68 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 1jr2 h THR 228 CO 0.05 0.26 0.42 0.00 0.37 0.00 0.00 175.52 176.63 1jr2 h ALA 229 N 1.13 1.28 -0.63 6.16 0.00 -1.22 -1.40 119.26 124.58 1jr2 h ALA 229 Ca 0.22 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1jr2 h ALA 229 Cb 0.14 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1jr2 h ALA 229 CO -0.03 0.59 0.21 0.00 0.00 0.00 0.00 179.25 180.02 1jr2 h ARG 230 N 1.09 0.95 -0.50 0.00 3.08 -0.77 -1.44 114.38 116.79 1jr2 h ARG 230 Ca 0.27 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 1jr2 h ARG 230 Cb 0.03 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1jr2 h ARG 230 CO -0.04 0.81 0.13 0.00 -1.07 0.00 0.00 179.97 179.79 1jr2 h ALA 231 N 1.30 0.66 -0.24 0.04 0.00 -0.57 -0.45 119.26 120.01 1jr2 h ALA 231 Ca 0.21 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1jr2 h ALA 231 Cb 0.25 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1jr2 h ALA 231 CO -0.01 0.35 -0.01 -0.07 0.00 0.00 0.00 179.25 179.50 1jr2 h LEU 232 N 0.69 -0.12 -1.04 0.00 3.38 -1.06 -2.52 115.31 114.64 1jr2 h LEU 232 Ca 0.16 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1jr2 h LEU 232 Cb 0.32 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1jr2 h LEU 232 CO 0.00 -0.03 0.13 0.00 0.09 0.00 0.00 178.44 178.63 1jr2 h ALA 233 N 1.21 1.22 -0.02 1.53 0.00 -0.90 -1.56 119.26 120.75 1jr2 h ALA 233 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1jr2 h ALA 233 Cb 0.15 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1jr2 h ALA 233 CO -0.20 0.54 -0.09 0.00 0.00 0.00 0.00 179.25 179.49 1jr2 h ALA 234 N 1.35 1.81 -0.14 0.00 0.00 -0.71 -1.15 119.26 120.42 1jr2 h ALA 234 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jr2 h ALA 234 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1jr2 h ALA 234 CO -0.00 0.14 0.00 1.04 0.00 0.00 0.00 179.25 180.43 1jr2 n GLN 235 N -4.42 1.81 -0.69 0.00 1.13 -0.87 -4.93 117.38 109.42 1jr2 n GLN 235 Ca -0.02 -1.20 0.00 0.00 -1.94 0.00 0.00 57.00 53.83 1jr2 n GLN 235 Cb 0.18 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.10 1jr2 n GLN 235 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jr2 n GLY 236 N 1.19 0.65 3.75 1.08 0.00 -0.44 -5.04 105.19 106.38 1jr2 n GLY 236 Ca 0.17 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1jr2 n GLY 236 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jr2 s LEU 237 N 0.00 4.45 0.31 0.99 2.96 -0.64 -4.99 118.68 121.75 1jr2 s LEU 237 Ca 0.00 1.36 -0.29 0.00 -0.22 0.00 0.00 54.13 54.98 1jr2 s LEU 237 Cb 0.00 -3.12 -0.10 0.00 0.50 0.00 0.00 46.19 43.47 1jr2 s LEU 237 CO 0.00 0.06 1.27 -2.84 -1.32 0.00 0.00 176.35 173.52 1jr2 s PRO 238 N -0.19 4.41 -0.44 0.98 0.02 -1.26 -3.95 135.00 134.57 1jr2 s PRO 238 Ca 0.36 2.12 -0.13 0.00 0.02 0.00 0.00 61.00 63.37 1jr2 s PRO 238 Cb -0.20 -3.11 0.07 0.00 0.02 0.00 0.00 34.50 31.29 1jr2 s PRO 238 CO 0.21 -0.12 0.33 0.08 -0.33 0.00 0.00 177.00 177.17 1jr2 s VAL 239 N -1.01 4.81 -0.15 3.83 1.01 -1.26 -4.39 120.40 123.22 1jr2 s VAL 239 Ca 0.49 -1.17 0.15 0.00 0.00 0.00 0.00 61.98 61.45 1jr2 s VAL 239 Cb -0.38 -3.88 0.05 0.00 0.00 0.00 0.00 36.38 32.17 1jr2 s VAL 239 CO 0.49 -0.52 1.41 0.28 0.00 0.00 0.00 175.10 176.76 1jr2 h SER 240 N 8.60 0.00 -4.33 3.32 0.02 -1.25 -3.47 113.55 116.44 1jr2 h SER 240 Ca -0.26 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 60.77 1jr2 h SER 240 Cb 1.10 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.43 1jr2 h SER 240 CO 0.81 0.51 0.51 0.00 -1.14 0.00 0.00 176.83 177.52 1jr2 s THR 242 N -1.64 1.37 0.35 0.00 2.01 -1.26 -0.75 115.64 115.71 1jr2 s THR 242 Ca -0.01 -0.54 -0.28 0.00 0.31 0.00 0.00 61.69 61.17 1jr2 s THR 242 Cb -0.01 -1.29 -0.11 0.00 0.01 0.00 0.00 72.50 71.11 1jr2 s THR 242 CO -0.00 0.42 1.43 0.00 -0.69 0.00 0.00 174.62 175.78 1jr2 s ALA 243 N 1.27 3.56 0.22 7.40 0.00 0.13 -4.91 121.76 129.44 1jr2 s ALA 243 Ca -0.01 1.46 -0.06 0.00 0.00 0.00 0.00 51.96 53.35 1jr2 s ALA 243 Cb -0.14 -3.57 0.20 0.00 0.00 0.00 0.00 23.12 19.62 1jr2 s ALA 243 CO -0.05 -0.90 1.73 0.93 0.00 0.00 0.00 175.76 177.47 1jr2 h GLU 244 N 3.36 1.00 -4.76 0.00 5.08 -1.86 -3.41 114.58 113.99 1jr2 h GLU 244 Ca -0.50 -0.26 -0.32 0.00 -1.00 0.00 0.00 59.36 57.29 1jr2 h GLU 244 Cb 1.23 -0.12 -0.22 0.00 0.50 0.00 0.00 28.75 30.14 1jr2 h GLU 244 CO 0.66 0.93 -0.75 -1.12 -1.00 0.00 0.00 179.01 177.73 1jr2 s SER 245 N -6.54 1.07 -1.39 1.42 0.01 -1.26 -5.04 113.70 101.96 1jr2 s SER 245 Ca -0.11 -0.51 -0.14 0.00 1.31 0.00 0.00 55.95 56.50 1jr2 s SER 245 Cb 0.15 -0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.35 1jr2 s SER 245 CO 0.83 -0.13 2.36 -0.81 0.41 0.00 0.00 173.24 175.90 1jr2 n PRO 246 N 1.60 2.84 -4.14 12.44 -0.04 -1.26 -4.42 135.00 142.03 1jr2 n PRO 246 Ca -0.21 -2.36 -0.09 0.00 -0.04 0.00 0.00 63.50 60.80 1jr2 n PRO 246 Cb 0.55 -3.09 -0.10 0.00 -0.04 0.00 0.00 33.50 30.82 1jr2 n PRO 246 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1jr2 s THR 247 N 3.20 0.50 0.23 0.52 -4.23 -1.26 -5.06 115.64 109.54 1jr2 s THR 247 Ca 0.53 -1.89 -0.07 0.00 -1.18 0.00 0.00 61.69 59.08 1jr2 s THR 247 Cb 0.15 -1.65 0.20 0.00 1.34 0.00 0.00 72.50 72.54 1jr2 s THR 247 CO -0.05 -0.90 1.88 -0.65 -0.54 0.00 0.00 174.62 174.35 1jr2 h PRO 248 N 3.02 1.02 0.20 3.99 0.11 -1.89 -0.98 132.00 137.47 1jr2 h PRO 248 Ca -0.35 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 1jr2 h PRO 248 Cb 1.16 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1jr2 h PRO 248 CO 0.65 0.68 -0.10 1.96 -0.21 0.00 0.00 178.00 180.98 1jr2 h GLN 249 N 1.06 -0.26 -0.55 1.05 7.50 -1.93 -1.02 115.11 120.96 1jr2 h GLN 249 Ca 0.33 0.02 -0.05 0.00 0.50 0.00 0.00 58.65 59.45 1jr2 h GLN 249 Cb 0.00 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.56 1jr2 h GLN 249 CO -0.11 -0.07 0.12 0.00 -1.50 0.00 0.00 178.83 177.27 1jr2 h ALA 250 N 0.39 1.19 -0.15 3.87 0.00 -1.79 -2.28 119.26 120.50 1jr2 h ALA 250 Ca -0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1jr2 h ALA 250 Cb 0.30 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1jr2 h ALA 250 CO 0.04 0.55 -0.05 1.25 0.00 0.00 0.00 179.25 181.05 1jr2 h LEU 251 N 0.81 0.30 -0.60 0.00 5.85 -0.98 -2.35 115.31 118.33 1jr2 h LEU 251 Ca 0.18 -0.39 0.07 0.00 0.84 0.00 0.00 57.88 58.58 1jr2 h LEU 251 Cb 0.31 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 1jr2 h LEU 251 CO 0.00 0.62 0.28 0.00 -0.34 0.00 0.00 178.44 179.00 1jr2 h ALA 252 N 0.69 0.79 -0.09 1.25 0.00 -1.16 -0.29 119.26 120.45 1jr2 h ALA 252 Ca 0.04 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1jr2 h ALA 252 Cb 0.50 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1jr2 h ALA 252 CO 0.02 -0.09 -0.02 1.15 0.00 0.00 0.00 179.25 180.31 1jr2 h THR 253 N 0.52 0.91 -0.52 0.00 2.02 -1.34 0.00 112.91 114.51 1jr2 h THR 253 Ca 0.29 -0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.50 1jr2 h THR 253 Cb 0.26 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1jr2 h THR 253 CO -0.23 0.00 0.29 1.23 0.37 0.00 0.00 175.52 177.18 1jr2 h GLY 254 N 0.01 0.73 1.01 2.16 0.00 -0.85 -1.26 103.07 104.87 1jr2 h GLY 254 Ca 0.05 -0.21 -0.12 0.00 0.00 0.00 0.00 47.33 47.05 1jr2 h GLY 254 CO -0.09 0.16 -0.25 -2.22 0.00 0.00 0.00 176.54 174.14 1jr2 h ILE 255 N 0.57 1.29 -0.29 2.60 2.04 -0.95 -1.08 117.51 121.69 1jr2 h ILE 255 Ca 0.22 -1.40 0.05 0.00 1.00 0.00 0.00 64.86 64.72 1jr2 h ILE 255 Cb 0.07 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1jr2 h ILE 255 CO -0.12 0.46 0.03 -0.09 0.00 0.00 0.00 178.15 178.43 1jr2 h ARG 256 N 0.57 0.12 -0.58 2.37 2.43 -0.82 0.96 114.38 119.44 1jr2 h ARG 256 Ca 0.07 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 1jr2 h ARG 256 Cb 0.81 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 1jr2 h ARG 256 CO 0.07 0.08 0.03 0.87 -1.51 0.00 0.00 179.97 179.51 1jr2 h LYS 257 N 0.12 0.98 0.00 0.20 1.57 -1.14 -2.15 116.57 116.15 1jr2 h LYS 257 Ca 0.14 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 1jr2 h LYS 257 Cb 0.17 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1jr2 h LYS 257 CO -0.21 0.94 -0.22 0.00 -0.57 0.00 0.00 179.45 179.40 1jr2 h ALA 258 N 1.12 1.15 -0.24 3.86 0.00 -0.60 -2.83 119.26 121.71 1jr2 h ALA 258 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jr2 h ALA 258 Cb 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1jr2 h ALA 258 CO 0.02 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.82 1jr2 n LEU 259 N -3.57 2.55 0.00 0.00 4.77 0.28 -5.04 117.00 115.99 1jr2 n LEU 259 Ca -0.01 -1.05 0.10 0.00 -0.03 0.00 0.00 56.01 55.02 1jr2 n LEU 259 Cb 0.36 -0.15 0.60 0.00 -2.33 0.00 0.00 43.42 41.89 1jr2 n LEU 259 CO 0.33 0.53 0.79 0.00 -1.33 0.00 0.00 177.39 177.71