#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j21 s LYS 2 N 0.00 1.81 -0.08 2.12 1.02 -1.26 -0.07 119.74 123.29 1j21 s LYS 2 Ca 0.00 -0.95 0.01 0.00 0.02 0.00 0.00 55.97 55.05 1j21 s LYS 2 Cb 0.00 -1.85 0.02 0.00 -0.52 0.00 0.00 37.83 35.47 1j21 s LYS 2 CO 0.00 0.49 -0.08 0.42 -0.92 0.00 0.00 175.35 175.26 1j21 s ILE 3 N -0.68 0.94 -0.33 2.17 1.01 0.48 -3.22 121.20 121.58 1j21 s ILE 3 Ca 0.10 -0.31 -0.19 0.00 0.00 0.00 0.00 60.65 60.25 1j21 s ILE 3 Cb -0.09 -0.92 -0.01 0.00 0.01 0.00 0.00 42.46 41.45 1j21 s ILE 3 CO 0.00 0.33 0.55 -0.69 0.00 0.00 0.00 174.94 175.14 1j21 s VAL 4 N 1.14 4.99 -0.16 2.92 1.01 -0.48 -0.34 120.40 129.49 1j21 s VAL 4 Ca -0.06 0.58 -0.07 0.00 0.00 0.00 0.00 61.98 62.42 1j21 s VAL 4 Cb -0.14 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1j21 s VAL 4 CO -0.01 -0.16 0.08 -0.22 0.00 0.00 0.00 175.10 174.79 1j21 s LEU 5 N 2.47 3.99 -0.70 3.92 2.96 0.62 -0.94 118.68 131.00 1j21 s LEU 5 Ca 0.21 0.21 -0.27 0.00 -0.22 0.00 0.00 54.13 54.06 1j21 s LEU 5 Cb -0.15 -1.99 0.03 0.00 0.50 0.00 0.00 46.19 44.57 1j21 s LEU 5 CO 0.13 0.26 1.32 0.00 -1.32 0.00 0.00 176.35 176.73 1j21 s ALA 6 N -0.12 2.74 -0.25 5.97 0.00 -0.58 -0.83 121.76 128.69 1j21 s ALA 6 Ca 0.08 -1.23 -0.09 0.00 0.00 0.00 0.00 51.96 50.72 1j21 s ALA 6 Cb -0.12 -4.23 -0.04 0.00 0.00 0.00 0.00 23.12 18.73 1j21 s ALA 6 CO 0.01 -3.24 0.12 -0.47 0.00 0.00 0.00 175.76 172.18 1j21 s TYR 7 N 5.89 3.19 -0.13 0.00 5.04 0.60 -4.58 117.35 127.36 1j21 s TYR 7 Ca 0.39 -0.06 0.20 0.00 -2.44 0.00 0.00 57.07 55.16 1j21 s TYR 7 Cb -0.08 -2.26 -0.20 0.00 0.35 0.00 0.00 41.96 39.76 1j21 s TYR 7 CO 0.17 -0.14 0.60 -1.13 -1.34 0.00 0.00 175.55 173.71 1j21 n SER 8 N 4.63 0.41 0.00 4.32 3.41 -1.26 -3.70 113.62 121.43 1j21 n SER 8 Ca -0.15 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1j21 n SER 8 Cb 0.52 0.97 0.00 0.00 -0.26 0.00 0.00 64.21 65.44 1j21 n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j21 n GLY 9 N 1.39 0.63 1.39 5.00 0.00 -1.26 -4.88 105.19 107.46 1j21 n GLY 9 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 1j21 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j21 n GLY 10 N -1.25 -0.74 0.06 -0.02 0.00 -1.26 -4.87 105.19 97.11 1j21 n GLY 10 Ca 0.00 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 1j21 n GLY 10 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1j21 h LEU 11 N 0.00 0.06 0.19 0.99 5.85 -1.99 -2.40 115.31 118.01 1j21 h LEU 11 Ca -0.15 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1j21 h LEU 11 Cb 0.43 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1j21 h LEU 11 CO 0.11 0.09 -0.09 0.44 -0.34 0.00 0.00 178.44 178.65 1j21 h ASP 12 N 0.02 -0.21 0.68 1.25 5.19 -1.98 0.85 116.42 122.22 1j21 h ASP 12 Ca 0.02 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1j21 h ASP 12 Cb 0.04 0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1j21 h ASP 12 CO -0.00 -0.13 0.00 0.71 -3.12 0.00 0.00 179.24 176.70 1j21 h THR 13 N -0.28 0.00 0.05 0.35 1.35 -1.94 0.20 112.91 112.64 1j21 h THR 13 Ca -0.03 -0.28 -0.08 0.00 -0.55 0.00 0.00 66.41 65.48 1j21 h THR 13 Cb 0.22 1.10 0.01 0.00 -1.73 0.00 0.00 68.15 67.75 1j21 h THR 13 CO 0.04 0.00 -0.33 0.28 -0.25 0.00 0.00 175.52 175.26 1j21 h SER 14 N 0.00 0.21 -0.77 5.36 0.02 -0.92 -1.33 113.55 116.12 1j21 h SER 14 Ca 0.00 -0.94 0.05 0.00 -0.84 0.00 0.00 61.79 60.06 1j21 h SER 14 Cb 0.34 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.76 1j21 h SER 14 CO 0.00 1.13 0.46 0.40 -1.14 0.00 0.00 176.83 177.68 1j21 h ILE 15 N -0.69 1.03 -0.42 3.27 2.04 -0.29 -1.14 117.51 121.31 1j21 h ILE 15 Ca -0.06 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 1j21 h ILE 15 Cb 1.22 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1j21 h ILE 15 CO 0.06 0.16 0.10 0.40 0.00 0.00 0.00 178.15 178.87 1j21 h ILE 16 N 0.86 1.19 -0.47 -0.67 2.04 -0.64 0.11 117.51 119.93 1j21 h ILE 16 Ca 0.33 -0.68 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 1j21 h ILE 16 Cb 0.14 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1j21 h ILE 16 CO -0.16 0.25 0.12 0.25 0.00 0.00 0.00 178.15 178.61 1j21 h LEU 17 N 0.62 0.70 -0.10 1.44 6.46 -0.02 -0.49 115.31 123.92 1j21 h LEU 17 Ca 0.14 -0.22 -0.01 0.00 -0.12 0.00 0.00 57.88 57.66 1j21 h LEU 17 Cb 0.24 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1j21 h LEU 17 CO -0.00 0.74 0.01 0.11 -0.62 0.00 0.00 178.44 178.68 1j21 h LYS 18 N 0.63 0.17 -0.75 1.25 1.79 -0.98 -3.00 116.57 115.68 1j21 h LYS 18 Ca 0.15 -0.05 0.13 0.00 -2.18 0.00 0.00 60.65 58.70 1j21 h LYS 18 Cb 0.31 -0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 30.85 1j21 h LYS 18 CO -0.00 0.41 0.32 2.35 -1.08 0.00 0.00 179.45 181.45 1j21 h TRP 19 N -0.09 0.55 -0.41 -1.35 7.01 -0.62 -1.12 115.95 119.92 1j21 h TRP 19 Ca 0.03 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.02 1j21 h TRP 19 Cb 0.33 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 1j21 h TRP 19 CO 0.03 0.10 0.07 -0.07 -2.79 0.00 0.00 178.44 175.78 1j21 h LEU 20 N 0.48 0.58 -0.00 0.65 3.38 -1.02 0.97 115.31 120.35 1j21 h LEU 20 Ca 0.40 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 1j21 h LEU 20 Cb 0.57 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1j21 h LEU 20 CO -0.37 0.61 -0.00 0.11 0.09 0.00 0.00 178.44 178.87 1j21 h LYS 21 N 0.60 0.00 -0.32 1.13 1.57 -1.11 -1.57 116.57 116.88 1j21 h LYS 21 Ca 0.13 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1j21 h LYS 21 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1j21 h LYS 21 CO 0.00 0.51 0.10 0.93 -0.57 0.00 0.00 179.45 180.43 1j21 h GLU 22 N -0.51 0.50 -0.30 3.15 5.08 -1.15 0.57 114.58 121.92 1j21 h GLU 22 Ca 0.00 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.11 1j21 h GLU 22 Cb 0.51 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1j21 h GLU 22 CO 0.00 0.54 -0.36 1.15 -1.00 0.00 0.00 179.01 179.33 1j21 h THR 23 N 0.37 1.29 0.00 1.13 2.02 -0.88 -3.35 112.91 113.49 1j21 h THR 23 Ca 0.10 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.74 1j21 h THR 23 Cb 0.24 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1j21 h THR 23 CO -0.00 0.50 -1.01 -1.22 0.37 0.00 0.00 175.52 174.16 1j21 n TYR 24 N -4.18 0.00 -3.81 3.16 4.02 -0.59 -5.00 117.16 110.76 1j21 n TYR 24 Ca -0.04 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.59 1j21 n TYR 24 Cb 0.52 -0.12 0.03 0.00 -0.02 0.00 0.00 39.34 39.75 1j21 n TYR 24 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1j21 n ARG 25 N -1.57 -5.25 -4.50 -0.72 3.00 0.20 -4.97 116.66 102.86 1j21 n ARG 25 Ca 0.00 0.61 -0.27 0.00 -0.01 0.00 0.00 57.85 58.19 1j21 n ARG 25 Cb 0.26 -5.33 -0.10 0.00 0.00 0.00 0.00 32.46 27.29 1j21 n ARG 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1j21 s ALA 26 N -3.49 3.18 0.28 7.54 0.00 -1.26 -4.71 121.76 123.31 1j21 s ALA 26 Ca 0.35 -2.19 -0.29 0.00 0.00 0.00 0.00 51.96 49.83 1j21 s ALA 26 Cb -0.17 -0.03 -0.09 0.00 0.00 0.00 0.00 23.12 22.83 1j21 s ALA 26 CO 0.82 -0.06 1.02 -1.21 0.00 0.00 0.00 175.76 176.34 1j21 s GLU 27 N -3.71 4.67 -0.32 0.00 2.02 0.90 -4.65 118.70 117.61 1j21 s GLU 27 Ca 0.35 1.61 0.01 0.00 0.02 0.00 0.00 54.97 56.96 1j21 s GLU 27 Cb 0.06 -3.12 0.08 0.00 0.10 0.00 0.00 34.13 31.25 1j21 s GLU 27 CO 0.18 0.30 0.02 0.08 0.02 0.00 0.00 175.26 175.86 1j21 s VAL 28 N -1.26 2.67 -0.36 2.63 1.01 -1.26 -0.39 120.40 123.43 1j21 s VAL 28 Ca 0.45 -1.80 -0.27 0.00 0.00 0.00 0.00 61.98 60.36 1j21 s VAL 28 Cb -0.27 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.42 1j21 s VAL 28 CO 0.35 -0.31 0.97 -0.63 0.00 0.00 0.00 175.10 175.48 1j21 s ILE 29 N 1.11 4.54 0.12 2.22 1.09 0.54 -2.46 121.20 128.37 1j21 s ILE 29 Ca 0.00 1.33 -0.23 0.00 -1.10 0.00 0.00 60.65 60.65 1j21 s ILE 29 Cb -0.20 -4.37 -0.07 0.00 -1.06 0.00 0.00 42.46 36.76 1j21 s ILE 29 CO -0.04 -0.55 0.70 0.00 -0.10 0.00 0.00 174.94 174.95 1j21 s ALA 30 N 3.58 3.49 -0.09 9.38 0.00 0.91 -0.27 121.76 138.76 1j21 s ALA 30 Ca 0.40 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.60 1j21 s ALA 30 Cb -0.12 -2.85 0.03 0.00 0.00 0.00 0.00 23.12 20.18 1j21 s ALA 30 CO 0.19 0.31 -0.05 0.12 0.00 0.00 0.00 175.76 176.33 1j21 s PHE 31 N -1.05 1.10 -0.09 0.00 5.36 -0.01 -0.56 117.98 122.73 1j21 s PHE 31 Ca 0.34 -0.46 0.04 0.00 -0.96 0.00 0.00 56.93 55.88 1j21 s PHE 31 Cb -0.22 -1.01 -0.00 0.00 -0.34 0.00 0.00 43.02 41.45 1j21 s PHE 31 CO 0.23 -0.41 -0.24 0.99 -1.46 0.00 0.00 175.22 174.34 1j21 s THR 32 N 1.70 2.05 -0.07 0.12 2.01 -0.35 -0.29 115.64 120.81 1j21 s THR 32 Ca 0.03 -1.02 0.03 0.00 0.31 0.00 0.00 61.69 61.03 1j21 s THR 32 Cb -0.13 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 1j21 s THR 32 CO -0.06 0.56 -0.14 0.00 -0.69 0.00 0.00 174.62 174.30 1j21 s ALA 33 N 0.26 2.67 -0.41 7.40 0.00 -1.26 -2.35 121.76 128.07 1j21 s ALA 33 Ca -0.16 -0.95 -0.19 0.00 0.00 0.00 0.00 51.96 50.66 1j21 s ALA 33 Cb -0.17 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 21.92 1j21 s ALA 33 CO 0.08 0.48 0.54 0.34 0.00 0.00 0.00 175.76 177.20 1j21 s ASP 34 N -0.47 6.28 -0.09 0.00 -1.08 0.03 -4.83 116.67 116.50 1j21 s ASP 34 Ca 0.06 -0.36 0.13 0.00 -0.52 0.00 0.00 52.55 51.86 1j21 s ASP 34 Cb -0.12 -2.27 0.24 0.00 -1.46 0.00 0.00 42.92 39.31 1j21 s ASP 34 CO 0.02 -0.63 1.12 2.30 0.52 0.00 0.00 175.17 178.50 1j21 n ILE 35 N 5.60 1.23 -1.15 4.11 -5.35 -1.26 -0.31 119.36 122.23 1j21 n ILE 35 Ca -0.04 -1.67 0.00 0.00 -0.27 0.00 0.00 62.75 60.77 1j21 n ILE 35 Cb 0.48 0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 1j21 n ILE 35 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j21 n GLY 36 N -0.79 1.08 0.07 3.28 0.00 -1.26 0.08 105.19 107.64 1j21 n GLY 36 Ca 0.11 -0.49 0.12 0.00 0.00 0.00 0.00 46.02 45.77 1j21 n GLY 36 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j21 n GLN 37 N -0.93 0.15 -1.22 1.61 3.00 -1.24 -3.44 117.38 115.31 1j21 n GLN 37 Ca 0.00 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 1j21 n GLN 37 Cb 0.28 -1.70 0.00 0.00 0.00 0.00 0.00 30.24 28.82 1j21 n GLN 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1j21 n GLY 38 N 0.90 0.76 3.51 1.08 0.00 -1.26 -4.82 105.19 105.36 1j21 n GLY 38 Ca 0.05 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 1j21 n GLY 38 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j21 s GLU 39 N -2.64 1.81 -0.44 1.61 0.41 -1.26 -5.08 118.70 113.10 1j21 s GLU 39 Ca 0.00 -1.67 -0.19 0.00 -0.41 0.00 0.00 54.97 52.71 1j21 s GLU 39 Cb 0.00 -1.87 0.03 0.00 -1.78 0.00 0.00 34.13 30.51 1j21 s GLU 39 CO 0.00 0.35 0.53 -2.00 -0.49 0.00 0.00 175.26 173.64 1j21 s GLU 40 N -3.47 3.14 0.46 1.61 2.56 -1.26 -4.92 118.70 116.83 1j21 s GLU 40 Ca 0.29 -0.70 0.14 0.00 0.00 0.00 0.00 54.97 54.71 1j21 s GLU 40 Cb -0.06 -4.00 1.05 0.00 2.00 0.00 0.00 34.13 33.13 1j21 s GLU 40 CO 0.16 -0.98 2.03 -0.39 -0.56 0.00 0.00 175.26 175.52 1j21 h VAL 41 N 5.80 1.10 0.00 3.70 -1.51 -1.97 -1.64 116.25 121.73 1j21 h VAL 41 Ca -0.26 -0.47 -0.02 0.00 -1.23 0.00 0.00 66.70 64.71 1j21 h VAL 41 Cb 1.10 1.24 -0.00 0.00 -2.13 0.00 0.00 31.29 31.50 1j21 h VAL 41 CO 0.86 0.14 -0.09 -0.33 -1.23 0.00 0.00 177.57 176.92 1j21 h GLU 42 N 0.02 0.00 0.10 5.19 4.39 -1.97 0.60 114.58 122.90 1j21 h GLU 42 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1j21 h GLU 42 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1j21 h GLU 42 CO 0.02 0.09 -0.05 0.93 -1.16 0.00 0.00 179.01 178.84 1j21 h GLU 43 N 0.00 -0.12 -0.96 2.33 5.08 -1.71 -2.14 114.58 117.05 1j21 h GLU 43 Ca -0.00 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.52 1j21 h GLU 43 Cb 0.31 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.51 1j21 h GLU 43 CO 0.01 0.38 0.61 0.00 -1.00 0.00 0.00 179.01 179.01 1j21 h ALA 44 N 0.04 1.69 -0.36 3.43 0.00 -1.33 0.20 119.26 122.94 1j21 h ALA 44 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1j21 h ALA 44 Cb 0.56 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1j21 h ALA 44 CO 0.02 0.03 0.23 -0.09 0.00 0.00 0.00 179.25 179.44 1j21 h ARG 45 N 0.82 0.48 -0.21 0.00 2.43 -0.79 0.14 114.38 117.23 1j21 h ARG 45 Ca 0.50 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.48 1j21 h ARG 45 Cb 0.69 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1j21 h ARG 45 CO -0.27 0.33 -0.51 0.93 -1.51 0.00 0.00 179.97 178.95 1j21 h GLU 46 N 0.48 0.60 -0.07 0.20 5.08 -0.50 -2.53 114.58 117.83 1j21 h GLU 46 Ca 0.13 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 1j21 h GLU 46 Cb -0.03 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1j21 h GLU 46 CO -0.03 0.97 -0.26 -0.22 -1.00 0.00 0.00 179.01 178.47 1j21 h LYS 47 N 0.47 0.12 -0.65 2.33 3.64 -0.36 -1.45 116.57 120.67 1j21 h LYS 47 Ca 0.02 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1j21 h LYS 47 Cb 1.05 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 1j21 h LYS 47 CO 0.10 0.37 0.19 0.00 -2.27 0.00 0.00 179.45 177.84 1j21 h ALA 48 N 1.63 0.85 -0.30 5.00 0.00 -0.31 0.31 119.26 126.44 1j21 h ALA 48 Ca 0.02 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1j21 h ALA 48 Cb 0.52 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1j21 h ALA 48 CO 0.04 0.54 -0.17 -0.07 0.00 0.00 0.00 179.25 179.59 1j21 h LEU 49 N 0.95 0.68 -0.35 0.00 3.38 -1.21 0.22 115.31 118.98 1j21 h LEU 49 Ca 0.21 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1j21 h LEU 49 Cb 0.31 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1j21 h LEU 49 CO -0.00 0.95 0.22 -0.09 0.09 0.00 0.00 178.44 179.60 1j21 h ARG 50 N 0.41 0.47 0.00 1.13 2.43 -1.05 -0.84 114.38 116.93 1j21 h ARG 50 Ca 0.07 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1j21 h ARG 50 Cb 0.70 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1j21 h ARG 50 CO 0.05 0.34 0.00 2.41 -1.51 0.00 0.00 179.97 181.25 1j21 n THR 51 N -4.82 1.01 0.00 0.20 -1.04 0.11 -4.83 114.28 104.90 1j21 n THR 51 Ca -0.01 0.47 0.00 0.00 -2.04 0.00 0.00 64.05 62.47 1j21 n THR 51 Cb 0.04 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.13 1j21 n THR 51 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j21 n GLY 52 N -0.65 0.76 3.78 3.41 0.00 -0.32 -4.72 105.19 107.45 1j21 n GLY 52 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1j21 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j21 s ALA 53 N -1.34 3.56 -0.61 4.61 0.00 0.70 -4.80 121.76 123.87 1j21 s ALA 53 Ca 0.00 1.55 0.25 0.00 0.00 0.00 0.00 51.96 53.76 1j21 s ALA 53 Cb 0.00 -3.60 0.59 0.00 0.00 0.00 0.00 23.12 20.11 1j21 s ALA 53 CO 0.00 -1.04 1.66 0.66 0.00 0.00 0.00 175.76 177.05 1j21 h SER 54 N 3.00 0.00 -2.66 0.00 4.64 -1.81 -3.41 113.55 113.31 1j21 h SER 54 Ca -0.51 -0.01 0.07 0.00 -0.47 0.00 0.00 61.79 60.87 1j21 h SER 54 Cb 1.24 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.09 1j21 h SER 54 CO 0.64 0.01 0.17 -0.75 -0.87 0.00 0.00 176.83 176.03 1j21 s LYS 55 N -3.15 0.55 -0.05 4.77 2.20 -1.26 -5.03 119.74 117.77 1j21 s LYS 55 Ca 0.09 0.99 0.06 0.00 -0.36 0.00 0.00 55.97 56.74 1j21 s LYS 55 Cb 0.10 0.17 -0.02 0.00 -1.51 0.00 0.00 37.83 36.57 1j21 s LYS 55 CO 0.64 -0.12 -0.23 0.00 -0.36 0.00 0.00 175.35 175.28 1j21 s ALA 56 N 1.63 2.29 0.00 3.13 0.00 -1.26 -0.06 121.76 127.49 1j21 s ALA 56 Ca -0.09 -1.05 0.06 0.00 0.00 0.00 0.00 51.96 50.88 1j21 s ALA 56 Cb -0.05 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 1j21 s ALA 56 CO -0.18 0.47 -0.19 0.42 0.00 0.00 0.00 175.76 176.28 1j21 s ILE 57 N -0.37 1.50 -0.04 0.00 1.01 0.28 -4.96 121.20 118.63 1j21 s ILE 57 Ca 0.03 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.79 1j21 s ILE 57 Cb -0.12 -1.26 0.02 0.00 0.01 0.00 0.00 42.46 41.10 1j21 s ILE 57 CO 0.02 0.34 -0.05 0.00 0.00 0.00 0.00 174.94 175.25 1j21 s ALA 58 N -0.55 0.62 0.01 9.38 0.00 -1.26 -1.22 121.76 128.75 1j21 s ALA 58 Ca 0.07 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.99 1j21 s ALA 58 Cb -0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 1j21 s ALA 58 CO -0.00 0.02 -0.09 -0.51 0.00 0.00 0.00 175.76 175.17 1j21 s LEU 59 N 0.73 2.07 -0.55 0.00 1.43 -0.99 -5.01 118.68 116.36 1j21 s LEU 59 Ca -0.10 -0.25 -0.24 0.00 -1.03 0.00 0.00 54.13 52.51 1j21 s LEU 59 Cb -0.13 -0.43 0.04 0.00 0.03 0.00 0.00 46.19 45.70 1j21 s LEU 59 CO 0.00 0.06 0.95 -0.62 0.23 0.00 0.00 176.35 176.97 1j21 s ASP 60 N -0.52 6.35 -0.06 2.29 -1.08 -1.26 -0.79 116.67 121.59 1j21 s ASP 60 Ca 0.01 -0.33 0.12 0.00 -0.52 0.00 0.00 52.55 51.83 1j21 s ASP 60 Cb -0.05 -2.44 0.34 0.00 -1.46 0.00 0.00 42.92 39.31 1j21 s ASP 60 CO 0.00 -1.23 1.27 0.18 0.52 0.00 0.00 175.17 175.91 1j21 n LEU 61 N 7.49 3.08 -0.15 -1.34 4.77 0.58 -4.74 117.00 126.69 1j21 n LEU 61 Ca 0.02 -2.36 -0.03 0.00 -0.03 0.00 0.00 56.01 53.61 1j21 n LEU 61 Cb 0.48 -0.31 0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1j21 n LEU 61 CO 0.64 0.69 0.86 0.11 -1.33 0.00 0.00 177.39 178.35 1j21 h LYS 62 N 1.62 0.13 -0.48 3.23 6.56 -1.81 0.11 116.57 125.94 1j21 h LYS 62 Ca 0.00 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.55 1j21 h LYS 62 Cb 0.93 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.54 1j21 h LYS 62 CO 0.07 0.09 0.18 0.93 -2.06 0.00 0.00 179.45 178.65 1j21 h GLU 63 N 0.13 0.72 -0.66 3.15 4.39 -1.91 -2.09 114.58 118.31 1j21 h GLU 63 Ca 0.23 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 59.72 1j21 h GLU 63 Cb 0.34 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 1j21 h GLU 63 CO -0.37 0.66 0.13 1.49 -1.16 0.00 0.00 179.01 179.77 1j21 h GLU 64 N 0.63 1.07 0.02 2.33 4.81 -1.80 -0.01 114.58 121.63 1j21 h GLU 64 Ca 0.16 -0.27 0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1j21 h GLU 64 Cb 0.22 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 1j21 h GLU 64 CO -0.01 0.97 -0.22 0.35 -0.73 0.00 0.00 179.01 179.37 1j21 h PHE 65 N 0.99 -0.58 -0.10 0.92 3.57 -0.51 -0.11 116.94 121.12 1j21 h PHE 65 Ca 0.20 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.55 1j21 h PHE 65 Cb 0.40 0.26 0.01 0.00 2.79 0.00 0.00 35.95 39.41 1j21 h PHE 65 CO 0.03 -0.31 -0.60 0.28 -2.23 0.00 0.00 178.31 175.49 1j21 h VAL 66 N -0.36 1.35 0.02 1.41 2.07 -1.32 -1.27 116.25 118.14 1j21 h VAL 66 Ca 0.06 -1.90 -0.00 0.00 0.82 0.00 0.00 66.70 65.68 1j21 h VAL 66 Cb 0.43 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1j21 h VAL 66 CO -0.19 0.58 -0.01 -0.09 0.02 0.00 0.00 177.57 177.88 1j21 h ARG 67 N 0.21 -0.03 -0.03 1.57 2.43 -0.95 0.15 114.38 117.73 1j21 h ARG 67 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1j21 h ARG 67 Cb 1.24 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1j21 h ARG 67 CO 0.12 0.31 0.00 -0.25 -1.51 0.00 0.00 179.97 178.65 1j21 n ASP 68 N -4.94 2.78 0.10 -3.80 8.00 -0.06 -4.38 116.55 114.26 1j21 n ASP 68 Ca -0.08 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.49 1j21 n ASP 68 Cb 0.19 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 1j21 n ASP 68 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1j21 n PHE 69 N 1.18 -1.54 -0.06 1.24 3.01 -0.94 -4.73 117.46 115.61 1j21 n PHE 69 Ca 0.15 0.27 -0.10 0.00 1.01 0.00 0.00 57.45 58.78 1j21 n PHE 69 Cb 0.56 0.36 -0.04 0.00 -0.01 0.00 0.00 39.48 40.36 1j21 n PHE 69 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1j21 h VAL 70 N 0.00 1.11 0.03 -4.37 2.07 -1.24 -2.58 116.25 111.26 1j21 h VAL 70 Ca 0.00 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1j21 h VAL 70 Cb 0.02 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1j21 h VAL 70 CO 0.00 0.11 -0.01 -0.26 0.02 0.00 0.00 177.57 177.42 1j21 h PHE 71 N 0.25 -0.03 -1.00 1.57 -1.00 -1.17 0.38 116.94 115.93 1j21 h PHE 71 Ca 0.08 -0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.92 1j21 h PHE 71 Cb 0.06 0.01 -0.07 0.00 3.61 0.00 0.00 35.95 39.57 1j21 h PHE 71 CO -0.04 0.13 0.65 -1.35 -1.61 0.00 0.00 178.31 176.10 1j21 h PRO 72 N -0.19 1.15 -0.61 1.51 0.11 -1.76 -0.76 132.00 131.45 1j21 h PRO 72 Ca -0.00 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.94 1j21 h PRO 72 Cb 0.18 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.01 1j21 h PRO 72 CO 0.01 0.76 0.01 1.98 -0.21 0.00 0.00 178.00 180.55 1j21 h MET 73 N 1.19 1.07 -0.34 1.05 1.85 -1.25 -3.00 114.93 115.50 1j21 h MET 73 Ca 0.43 -0.33 -0.12 0.00 -0.61 0.00 0.00 59.70 59.07 1j21 h MET 73 Cb 0.15 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.07 1j21 h MET 73 CO -0.17 1.03 -0.29 0.52 -0.40 0.00 0.00 176.91 177.60 1j21 h MET 74 N 0.98 0.71 -0.70 0.39 2.86 -0.15 -2.66 114.93 116.34 1j21 h MET 74 Ca 0.18 -0.31 0.17 0.00 -2.06 0.00 0.00 59.70 57.68 1j21 h MET 74 Cb 0.54 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.14 1j21 h MET 74 CO 0.03 0.91 0.49 0.00 1.06 0.00 0.00 176.91 179.40 1j21 h ARG 75 N 0.60 0.19 0.00 1.72 3.08 -1.02 0.18 114.38 119.13 1j21 h ARG 75 Ca 0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1j21 h ARG 75 Cb 0.80 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1j21 h ARG 75 CO 0.07 0.12 -0.04 0.00 -1.07 0.00 0.00 179.97 179.05 1j21 n ALA 76 N -2.60 2.37 -2.36 0.04 0.00 -1.01 -4.79 120.51 112.16 1j21 n ALA 76 Ca 0.14 -0.07 -0.08 0.00 0.00 0.00 0.00 53.44 53.42 1j21 n ALA 76 Cb 0.64 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.65 1j21 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j21 n GLY 77 N 1.40 0.16 3.67 0.00 0.00 0.63 -4.63 105.19 106.42 1j21 n GLY 77 Ca 0.06 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1j21 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j21 s ALA 78 N -2.59 3.64 -0.12 4.61 0.00 -1.21 -4.87 121.76 121.22 1j21 s ALA 78 Ca 0.06 1.23 -0.05 0.00 0.00 0.00 0.00 51.96 53.20 1j21 s ALA 78 Cb -0.03 -3.77 0.06 0.00 0.00 0.00 0.00 23.12 19.38 1j21 s ALA 78 CO 0.08 -1.37 0.25 0.08 0.00 0.00 0.00 175.76 174.80 1j21 s VAL 79 N 3.66 -0.36 -0.12 0.00 1.01 -1.26 -4.78 120.40 118.54 1j21 s VAL 79 Ca 0.80 0.28 -0.23 0.00 0.00 0.00 0.00 61.98 62.83 1j21 s VAL 79 Cb -0.40 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 1j21 s VAL 79 CO 0.36 0.12 0.69 -0.47 0.00 0.00 0.00 175.10 175.80 1j21 s TYR 80 N 2.30 3.49 -1.36 5.22 5.04 0.20 -4.36 117.35 127.88 1j21 s TYR 80 Ca 0.00 1.14 -0.13 0.00 -2.44 0.00 0.00 57.07 55.64 1j21 s TYR 80 Cb -0.12 -2.83 0.01 0.00 0.35 0.00 0.00 41.96 39.38 1j21 s TYR 80 CO -0.08 -0.04 0.41 0.39 -1.34 0.00 0.00 175.55 174.89 1j21 n GLU 81 N 4.38 -1.34 0.00 4.97 1.02 -1.26 -1.59 120.64 126.82 1j21 n GLU 81 Ca -0.01 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1j21 n GLU 81 Cb 0.50 -3.57 0.00 0.00 -0.02 0.00 0.00 31.44 28.35 1j21 n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j21 n GLY 82 N -2.17 1.86 0.00 0.62 0.00 -1.26 -4.56 105.19 99.67 1j21 n GLY 82 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1j21 n GLY 82 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1j21 n TYR 83 N 0.00 0.00 -2.63 1.61 4.02 -1.10 -5.07 117.16 113.99 1j21 n TYR 83 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 1j21 n TYR 83 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.30 1j21 n TYR 83 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1j21 s TYR 84 N -0.55 3.22 -1.69 -0.72 5.04 -0.62 -4.87 117.35 117.15 1j21 s TYR 84 Ca 0.00 1.32 0.04 0.00 -2.44 0.00 0.00 57.07 55.98 1j21 s TYR 84 Cb 0.00 -3.47 0.12 0.00 0.35 0.00 0.00 41.96 38.97 1j21 s TYR 84 CO 0.00 -0.71 0.99 1.28 -1.34 0.00 0.00 175.55 175.78 1j21 n LEU 85 N 6.59 1.01 -3.48 6.97 4.77 -1.26 -0.62 117.00 130.97 1j21 n LEU 85 Ca 0.12 -0.51 -0.25 0.00 -0.03 0.00 0.00 56.01 55.35 1j21 n LEU 85 Cb 0.46 -0.21 0.05 0.00 -2.33 0.00 0.00 43.42 41.39 1j21 n LEU 85 CO 0.55 0.21 0.12 0.18 -1.33 0.00 0.00 177.39 177.12 1j21 n LEU 86 N -0.06 -2.82 -0.21 2.23 4.77 -1.26 -4.92 117.00 114.73 1j21 n LEU 86 Ca 0.04 -0.51 0.01 0.00 -0.03 0.00 0.00 56.01 55.53 1j21 n LEU 86 Cb 0.19 -2.83 0.12 0.00 -2.33 0.00 0.00 43.42 38.58 1j21 n LEU 86 CO 0.04 0.44 0.98 1.23 -1.33 0.00 0.00 177.39 178.75 1j21 h GLY 87 N -2.03 0.88 1.20 -0.72 0.00 -1.93 -2.91 103.07 97.57 1j21 h GLY 87 Ca -0.55 -0.11 -0.33 0.00 0.00 0.00 0.00 47.33 46.35 1j21 h GLY 87 CO 0.59 -0.05 -1.55 -0.84 0.00 0.00 0.00 176.54 174.69 1j21 h THR 88 N 0.38 1.18 -0.52 4.70 2.02 -1.94 -3.37 112.91 115.36 1j21 h THR 88 Ca 0.33 -2.70 0.10 0.00 0.77 0.00 0.00 66.41 64.91 1j21 h THR 88 Cb 0.44 2.90 -0.09 0.00 -1.74 0.00 0.00 68.15 69.66 1j21 h THR 88 CO -0.34 0.84 -0.05 0.28 0.37 0.00 0.00 175.52 176.61 1j21 h SER 89 N 0.11 -0.33 1.06 4.18 0.02 -1.85 -2.24 113.55 114.49 1j21 h SER 89 Ca -0.27 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1j21 h SER 89 Cb 2.10 0.27 0.00 0.00 0.14 0.00 0.00 62.40 64.91 1j21 h SER 89 CO 0.22 -0.12 0.00 2.30 -1.14 0.00 0.00 176.83 178.09 1j21 n ILE 90 N -5.30 0.65 0.08 3.27 -6.64 -1.12 -3.64 119.36 106.67 1j21 n ILE 90 Ca 0.06 -0.01 -0.22 0.00 -1.77 0.00 0.00 62.75 60.81 1j21 n ILE 90 Cb 0.29 -0.83 -0.14 0.00 -1.44 0.00 0.00 39.64 37.52 1j21 n ILE 90 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1j21 h ALA 91 N 2.47 -0.06 -0.58 -1.28 0.00 -1.56 -3.38 119.26 114.87 1j21 h ALA 91 Ca 0.00 -0.74 0.12 0.00 0.00 0.00 0.00 54.91 54.29 1j21 h ALA 91 Cb 0.53 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 1j21 h ALA 91 CO 0.00 0.54 0.05 0.00 0.00 0.00 0.00 179.25 179.83 1j21 h ARG 92 N -0.02 0.16 -0.84 0.00 2.47 -1.61 -2.04 114.38 112.50 1j21 h ARG 92 Ca -0.17 -0.01 0.12 0.00 -1.26 0.00 0.00 59.98 58.66 1j21 h ARG 92 Cb 1.80 -0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 30.02 1j21 h ARG 92 CO 0.20 0.11 0.55 -1.35 0.56 0.00 0.00 179.97 180.04 1j21 h PRO 93 N 0.17 0.69 0.12 0.04 0.11 -1.75 -0.99 132.00 130.39 1j21 h PRO 93 Ca 0.30 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.37 1j21 h PRO 93 Cb 0.47 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1j21 h PRO 93 CO -0.46 0.46 -0.06 1.25 -0.21 0.00 0.00 178.00 178.98 1j21 h LEU 94 N 0.71 -0.14 0.07 2.35 6.46 -1.56 -0.54 115.31 122.66 1j21 h LEU 94 Ca 0.41 -0.13 0.01 0.00 -0.12 0.00 0.00 57.88 58.04 1j21 h LEU 94 Cb 0.58 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 1j21 h LEU 94 CO -0.17 0.05 -0.11 0.40 -0.62 0.00 0.00 178.44 177.98 1j21 h ILE 95 N -0.33 0.74 -0.87 4.05 2.04 -1.19 -2.18 117.51 119.77 1j21 h ILE 95 Ca -0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.90 1j21 h ILE 95 Cb 0.26 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 1j21 h ILE 95 CO 0.03 0.00 0.57 0.00 0.00 0.00 0.00 178.15 178.75 1j21 h ALA 96 N 0.68 1.53 -0.90 1.87 0.00 -1.19 -0.10 119.26 121.14 1j21 h ALA 96 Ca 0.02 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1j21 h ALA 96 Cb 0.24 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1j21 h ALA 96 CO -0.06 0.35 0.58 -0.22 0.00 0.00 0.00 179.25 179.90 1j21 h LYS 97 N 1.00 1.07 -0.04 0.00 3.64 -0.56 -2.23 116.57 119.45 1j21 h LYS 97 Ca 0.37 -0.06 -0.24 0.00 -1.27 0.00 0.00 60.65 59.45 1j21 h LYS 97 Cb 0.16 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1j21 h LYS 97 CO -0.13 0.71 -0.93 0.45 -2.27 0.00 0.00 179.45 177.28 1j21 h HIS 98 N 1.10 0.86 -0.55 1.91 3.86 -0.52 -2.67 115.15 119.15 1j21 h HIS 98 Ca 0.37 -0.44 0.08 0.00 -1.16 0.00 0.00 60.37 59.21 1j21 h HIS 98 Cb 0.05 -0.11 -0.06 0.00 1.06 0.00 0.00 27.41 28.35 1j21 h HIS 98 CO -0.02 1.27 0.21 -0.07 0.86 0.00 0.00 177.93 180.18 1j21 h LEU 99 N 0.36 0.22 -0.56 2.43 3.38 -0.70 0.83 115.31 121.27 1j21 h LEU 99 Ca -0.09 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1j21 h LEU 99 Cb 1.56 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 1j21 h LEU 99 CO 0.18 0.15 -0.40 0.58 0.09 0.00 0.00 178.44 179.03 1j21 h VAL 100 N 0.39 1.29 0.34 1.22 2.07 -1.48 -0.86 116.25 119.22 1j21 h VAL 100 Ca 0.27 -1.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 1j21 h VAL 100 Cb 0.29 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1j21 h VAL 100 CO -0.26 0.51 -0.16 -0.09 0.02 0.00 0.00 177.57 177.58 1j21 h ARG 101 N 0.58 -0.44 -0.66 1.57 2.43 -1.01 -1.11 114.38 115.76 1j21 h ARG 101 Ca 0.05 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1j21 h ARG 101 Cb 0.94 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.54 1j21 h ARG 101 CO 0.09 -0.28 0.40 0.82 -1.51 0.00 0.00 179.97 179.49 1j21 h ILE 102 N -0.48 1.07 -0.75 1.20 2.04 -0.83 -1.21 117.51 118.56 1j21 h ILE 102 Ca -0.05 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.58 1j21 h ILE 102 Cb 0.36 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.62 1j21 h ILE 102 CO 0.08 0.14 0.47 0.00 0.00 0.00 0.00 178.15 178.84 1j21 h ALA 103 N 1.29 0.98 0.00 1.87 0.00 -0.93 0.52 119.26 123.00 1j21 h ALA 103 Ca 0.27 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1j21 h ALA 103 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1j21 h ALA 103 CO -0.11 0.25 -0.32 0.93 0.00 0.00 0.00 179.25 180.00 1j21 h GLU 104 N 0.91 0.00 0.17 0.00 5.08 -0.58 0.56 114.58 120.71 1j21 h GLU 104 Ca 0.30 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.35 1j21 h GLU 104 Cb 0.04 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.32 1j21 h GLU 104 CO -0.12 0.32 -1.33 0.93 -1.00 0.00 0.00 179.01 177.80 1j21 h GLU 105 N 0.00 0.60 -0.01 2.33 5.08 0.15 -3.30 114.58 119.42 1j21 h GLU 105 Ca -0.00 -0.87 0.00 0.00 -1.00 0.00 0.00 59.36 57.49 1j21 h GLU 105 Cb 0.59 0.30 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1j21 h GLU 105 CO 0.04 1.40 -0.15 0.39 -1.00 0.00 0.00 179.01 179.70 1j21 n GLU 106 N -3.76 0.84 -2.88 2.33 -0.58 0.17 -4.92 120.64 111.83 1j21 n GLU 106 Ca -0.15 -0.39 -0.13 0.00 -0.42 0.00 0.00 57.16 56.08 1j21 n GLU 106 Cb 1.03 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 30.44 1j21 n GLU 106 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j21 n GLY 107 N 1.28 0.09 3.65 0.62 0.00 -0.15 -5.00 105.19 105.69 1j21 n GLY 107 Ca 0.14 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1j21 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j21 s ALA 108 N -3.02 3.58 -0.46 4.61 0.00 0.00 -4.70 121.76 121.76 1j21 s ALA 108 Ca 0.24 -0.75 0.26 0.00 0.00 0.00 0.00 51.96 51.71 1j21 s ALA 108 Cb -0.11 -2.50 0.82 0.00 0.00 0.00 0.00 23.12 21.33 1j21 s ALA 108 CO 0.30 -0.31 1.75 1.05 0.00 0.00 0.00 175.76 178.55 1j21 h GLU 109 N 7.59 0.00 -4.70 0.00 4.11 -1.85 -3.42 114.58 116.31 1j21 h GLU 109 Ca -0.36 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 58.80 1j21 h GLU 109 Cb 1.17 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.27 1j21 h GLU 109 CO 0.67 0.00 -0.66 0.00 0.07 0.00 0.00 179.01 179.10 1j21 s ALA 110 N -3.27 1.24 0.13 1.06 0.00 -1.20 -2.45 121.76 117.28 1j21 s ALA 110 Ca 0.07 -1.58 0.04 0.00 0.00 0.00 0.00 51.96 50.49 1j21 s ALA 110 Cb 0.09 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 1j21 s ALA 110 CO 0.56 -0.37 -0.09 0.96 0.00 0.00 0.00 175.76 176.82 1j21 s ILE 111 N -3.77 1.06 0.06 0.00 -4.36 -0.74 -1.38 121.20 112.07 1j21 s ILE 111 Ca 0.25 -2.03 -0.07 0.00 -0.26 0.00 0.00 60.65 58.54 1j21 s ILE 111 Cb 0.07 -1.81 -0.01 0.00 1.25 0.00 0.00 42.46 41.96 1j21 s ILE 111 CO 0.04 -0.78 0.13 0.00 0.24 0.00 0.00 174.94 174.57 1j21 s ALA 112 N -3.40 -0.10 0.13 2.27 0.00 -0.11 -1.33 121.76 119.22 1j21 s ALA 112 Ca 0.15 -0.61 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 1j21 s ALA 112 Cb 0.03 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.50 1j21 s ALA 112 CO -0.01 -0.40 0.28 -3.38 0.00 0.00 0.00 175.76 172.25 1j21 s HIS 113 N -3.23 0.17 -0.30 0.00 -3.43 -1.16 -1.53 115.29 105.81 1j21 s HIS 113 Ca 0.00 -0.55 0.11 0.00 -0.80 0.00 0.00 55.06 53.82 1j21 s HIS 113 Cb 0.02 0.03 0.65 0.00 -1.43 0.00 0.00 32.58 31.85 1j21 s HIS 113 CO -0.07 -0.66 1.67 0.41 -2.00 0.00 0.00 174.74 174.08 1j21 n GLY 114 N -0.17 4.08 3.79 -1.38 0.00 -1.26 -4.25 105.19 105.99 1j21 n GLY 114 Ca -0.12 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.48 1j21 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j21 s ALA 115 N -3.04 2.95 0.91 4.61 0.00 -1.26 -4.93 121.76 121.00 1j21 s ALA 115 Ca 0.50 0.67 -0.13 0.00 0.00 0.00 0.00 51.96 53.00 1j21 s ALA 115 Cb 0.42 -3.27 0.14 0.00 0.00 0.00 0.00 23.12 20.40 1j21 s ALA 115 CO 0.09 -0.32 1.18 0.95 0.00 0.00 0.00 175.76 177.67 1j21 s THR 116 N -1.83 1.97 -1.01 0.00 -4.23 -1.26 -4.61 115.64 104.67 1j21 s THR 116 Ca 0.64 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 61.43 1j21 s THR 116 Cb -0.19 -2.86 0.20 0.00 1.34 0.00 0.00 72.50 70.99 1j21 s THR 116 CO 0.24 0.00 1.83 0.61 -0.54 0.00 0.00 174.62 176.76 1j21 n GLY 117 N -2.78 -1.44 0.00 3.99 0.00 -1.26 -3.57 105.19 100.13 1j21 n GLY 117 Ca 0.09 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1j21 n GLY 117 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j21 n LYS 118 N -1.49 0.01 -2.00 1.61 5.02 -1.26 -5.02 118.16 115.03 1j21 n LYS 118 Ca 0.07 -0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.27 1j21 n LYS 118 Cb 0.34 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.87 1j21 n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j21 n GLY 119 N 1.50 2.11 0.11 0.72 0.00 -1.23 -4.88 105.19 103.51 1j21 n GLY 119 Ca 0.04 -2.18 -0.16 0.00 0.00 0.00 0.00 46.02 43.72 1j21 n GLY 119 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1j21 h ASN 120 N 0.09 0.30 -0.97 1.61 2.35 -1.95 -3.39 115.58 113.63 1j21 h ASN 120 Ca -0.13 -0.52 0.16 0.00 -0.55 0.00 0.00 56.30 55.27 1j21 h ASN 120 Cb 0.56 -0.10 -0.10 0.00 0.05 0.00 0.00 38.32 38.74 1j21 h ASN 120 CO 0.19 1.45 0.58 0.44 -1.65 0.00 0.00 177.43 178.43 1j21 h ASP 121 N 0.05 0.76 -0.68 5.81 3.32 -1.92 -0.80 116.42 122.96 1j21 h ASP 121 Ca -0.30 0.08 0.07 0.00 0.02 0.00 0.00 57.03 56.90 1j21 h ASP 121 Cb 2.02 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 41.45 1j21 h ASP 121 CO 0.12 0.32 0.36 0.06 -1.72 0.00 0.00 179.24 178.39 1j21 h GLN 122 N 0.79 0.64 -0.68 3.56 3.07 -1.79 0.41 115.11 121.11 1j21 h GLN 122 Ca 0.53 -0.04 -0.05 0.00 0.09 0.00 0.00 58.65 59.18 1j21 h GLN 122 Cb 0.73 -0.14 -0.03 0.00 0.08 0.00 0.00 27.48 28.12 1j21 h GLN 122 CO -0.35 0.42 0.23 0.28 0.09 0.00 0.00 178.83 179.51 1j21 h VAL 123 N 0.66 1.25 -0.01 1.86 2.07 -1.40 -1.76 116.25 118.92 1j21 h VAL 123 Ca 0.31 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1j21 h VAL 123 Cb 0.23 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1j21 h VAL 123 CO -0.20 0.33 0.00 0.03 0.02 0.00 0.00 177.57 177.75 1j21 h ARG 124 N 0.99 0.02 -0.15 1.57 3.08 -0.56 0.33 114.38 119.66 1j21 h ARG 124 Ca 0.22 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.29 1j21 h ARG 124 Cb 0.27 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1j21 h ARG 124 CO -0.01 0.21 0.02 0.74 -1.07 0.00 0.00 179.97 179.86 1j21 h PHE 125 N -0.18 0.04 -0.26 3.04 0.05 -0.86 -2.79 116.94 115.98 1j21 h PHE 125 Ca 0.00 0.01 -0.15 0.00 3.82 0.00 0.00 57.97 61.65 1j21 h PHE 125 Cb 0.20 0.01 -0.00 0.00 2.00 0.00 0.00 35.95 38.15 1j21 h PHE 125 CO -0.01 0.01 -0.42 0.93 -0.18 0.00 0.00 178.31 178.64 1j21 h GLU 126 N 0.08 0.74 -0.72 1.51 5.08 -1.29 -0.61 114.58 119.38 1j21 h GLU 126 Ca 0.07 -0.45 -0.03 0.00 -1.00 0.00 0.00 59.36 57.95 1j21 h GLU 126 Cb 0.06 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1j21 h GLU 126 CO -0.09 1.08 0.33 -0.07 -1.00 0.00 0.00 179.01 179.26 1j21 h LEU 127 N 0.48 0.93 -0.26 1.33 3.38 -0.97 0.19 115.31 120.39 1j21 h LEU 127 Ca 0.02 -0.11 -0.21 0.00 0.09 0.00 0.00 57.88 57.68 1j21 h LEU 127 Cb 1.02 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1j21 h LEU 127 CO 0.10 0.79 -0.88 0.71 0.09 0.00 0.00 178.44 179.25 1j21 h THR 128 N 1.02 1.43 0.12 0.22 1.35 -1.44 -1.62 112.91 113.99 1j21 h THR 128 Ca 0.25 -2.45 -0.01 0.00 -0.55 0.00 0.00 66.41 63.65 1j21 h THR 128 Cb 0.12 2.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 1j21 h THR 128 CO -0.03 0.72 -0.06 0.00 -0.25 0.00 0.00 175.52 175.91 1j21 h ALA 129 N 0.87 -0.16 -0.26 6.62 0.00 -0.60 -1.56 119.26 124.16 1j21 h ALA 129 Ca -0.06 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1j21 h ALA 129 Cb 1.50 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1j21 h ALA 129 CO 0.14 -0.56 -0.23 1.88 0.00 0.00 0.00 179.25 180.49 1j21 h TYR 130 N -0.22 0.55 -0.25 0.00 0.99 -1.02 -0.15 116.97 116.86 1j21 h TYR 130 Ca -0.02 -0.11 -0.11 0.00 2.00 0.00 0.00 58.73 60.50 1j21 h TYR 130 Cb 0.17 -0.14 -0.01 0.00 1.00 0.00 0.00 36.73 37.75 1j21 h TYR 130 CO -0.05 0.68 -0.29 0.00 -0.00 0.00 0.00 178.16 178.50 1j21 h ALA 131 N 1.32 1.03 0.06 3.88 0.00 -1.13 -2.13 119.26 122.28 1j21 h ALA 131 Ca 0.07 -0.37 -0.29 0.00 0.00 0.00 0.00 54.91 54.32 1j21 h ALA 131 Cb 0.63 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1j21 h ALA 131 CO 0.05 0.59 -1.53 -0.07 0.00 0.00 0.00 179.25 178.28 1j21 h LEU 132 N 0.44 0.18 -6.36 0.00 3.38 -1.12 -3.43 115.31 108.42 1j21 h LEU 132 Ca 0.06 -0.29 -0.45 0.00 0.09 0.00 0.00 57.88 57.29 1j21 h LEU 132 Cb 0.73 -0.06 -0.34 0.00 0.09 0.00 0.00 40.66 41.08 1j21 h LEU 132 CO 0.06 1.25 -0.77 -0.75 0.09 0.00 0.00 178.44 178.31 1j21 s LYS 133 N -2.62 0.67 0.50 1.13 2.20 -0.08 -5.03 119.74 116.50 1j21 s LYS 133 Ca -0.07 -1.20 0.26 0.00 -0.36 0.00 0.00 55.97 54.60 1j21 s LYS 133 Cb 0.08 -0.96 1.34 0.00 -1.51 0.00 0.00 37.83 36.77 1j21 s LYS 133 CO 0.83 -1.24 1.90 -1.00 -0.36 0.00 0.00 175.35 175.48 1j21 h PRO 134 N 6.73 0.13 -0.00 4.03 0.13 -1.59 -1.50 132.00 139.92 1j21 h PRO 134 Ca 0.09 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1j21 h PRO 134 Cb 1.01 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1j21 h PRO 134 CO 0.23 0.09 -0.18 -0.40 -0.23 0.00 0.00 178.00 177.50 1j21 n ASP 135 N -4.37 0.43 -4.75 1.44 3.85 -1.26 -4.92 116.55 106.97 1j21 n ASP 135 Ca 0.17 -0.33 -0.37 0.00 -0.71 0.00 0.00 54.79 53.55 1j21 n ASP 135 Cb 0.81 -0.07 0.04 0.00 -1.35 0.00 0.00 41.12 40.54 1j21 n ASP 135 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.20 175.68 1j21 s ILE 136 N -2.69 2.40 -0.05 2.12 1.10 -0.57 -5.02 121.20 118.50 1j21 s ILE 136 Ca 0.22 0.27 -0.01 0.00 -0.51 0.00 0.00 60.65 60.63 1j21 s ILE 136 Cb 0.19 -3.13 -0.03 0.00 0.15 0.00 0.00 42.46 39.64 1j21 s ILE 136 CO 0.54 -0.03 0.01 -0.54 -2.11 0.00 0.00 174.94 172.81 1j21 s LYS 137 N -3.09 2.92 -0.04 3.50 3.01 -1.03 -4.96 119.74 120.06 1j21 s LYS 137 Ca 0.74 -0.49 0.07 0.00 -1.01 0.00 0.00 55.97 55.28 1j21 s LYS 137 Cb -0.35 -2.76 -0.02 0.00 -1.01 0.00 0.00 37.83 33.70 1j21 s LYS 137 CO 0.40 0.67 -0.25 0.08 0.51 0.00 0.00 175.35 176.76 1j21 s VAL 138 N -0.99 2.13 -0.14 3.17 1.01 -1.26 -1.79 120.40 122.52 1j21 s VAL 138 Ca 0.17 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1j21 s VAL 138 Cb -0.11 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.53 1j21 s VAL 138 CO 0.06 0.58 -0.18 -0.63 0.00 0.00 0.00 175.10 174.93 1j21 s ILE 139 N -0.44 1.81 -0.54 2.22 1.01 -0.44 -4.97 121.20 119.85 1j21 s ILE 139 Ca 0.05 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 59.92 1j21 s ILE 139 Cb -0.11 -1.63 0.14 0.00 0.01 0.00 0.00 42.46 40.87 1j21 s ILE 139 CO 0.01 0.50 0.32 0.00 0.00 0.00 0.00 174.94 175.76 1j21 s ALA 140 N 1.03 3.03 0.37 9.38 0.00 -1.26 -2.97 121.76 131.34 1j21 s ALA 140 Ca -0.03 -3.19 0.20 0.00 0.00 0.00 0.00 51.96 48.93 1j21 s ALA 140 Cb -0.15 -2.06 1.25 0.00 0.00 0.00 0.00 23.12 22.16 1j21 s ALA 140 CO -0.05 -2.05 1.63 -1.35 0.00 0.00 0.00 175.76 173.94 1j21 h PRO 141 N 6.25 0.16 -0.17 0.00 0.11 -1.91 0.29 132.00 136.72 1j21 h PRO 141 Ca 0.01 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.16 1j21 h PRO 141 Cb 0.87 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 1j21 h PRO 141 CO 0.63 0.10 0.14 -1.49 -0.21 0.00 0.00 178.00 177.17 1j21 h TRP 142 N 0.16 0.00 0.00 0.65 4.06 -1.85 0.68 115.95 119.65 1j21 h TRP 142 Ca 0.79 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.74 1j21 h TRP 142 Cb 2.06 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.22 1j21 h TRP 142 CO -0.01 0.00 -0.80 0.54 -3.56 0.00 0.00 178.44 174.61 1j21 n ARG 143 N -4.23 0.21 -0.06 0.49 1.74 1.00 -4.50 116.66 111.31 1j21 n ARG 143 Ca 0.01 0.02 -0.05 0.00 -0.77 0.00 0.00 57.85 57.06 1j21 n ARG 143 Cb 0.27 -1.59 -0.10 0.00 -1.02 0.00 0.00 32.46 30.01 1j21 n ARG 143 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1j21 n GLU 144 N -1.88 1.70 -1.96 5.56 1.02 -0.11 -5.07 120.64 119.90 1j21 n GLU 144 Ca 0.03 -0.02 -0.29 0.00 -0.02 0.00 0.00 57.16 56.86 1j21 n GLU 144 Cb 0.41 -1.34 0.15 0.00 -0.02 0.00 0.00 31.44 30.64 1j21 n GLU 144 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 1j21 s TRP 145 N -2.39 2.08 -0.57 -0.32 -2.14 0.04 -5.05 118.94 110.58 1j21 s TRP 145 Ca -0.06 0.43 0.21 0.00 2.66 0.00 0.00 56.10 59.34 1j21 s TRP 145 Cb 0.04 -3.84 -0.27 0.00 -3.10 0.00 0.00 33.47 26.30 1j21 s TRP 145 CO 0.54 -2.29 0.71 0.43 -2.66 0.00 0.00 176.95 173.69 1j21 n SER 146 N -3.55 0.58 -4.53 -2.66 7.64 -1.26 -5.01 113.62 104.82 1j21 n SER 146 Ca 0.13 -0.56 -0.60 0.00 1.01 0.00 0.00 58.87 58.85 1j21 n SER 146 Cb 0.60 1.43 -0.08 0.00 -1.01 0.00 0.00 64.21 65.15 1j21 n SER 146 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1j21 n PHE 147 N -1.82 0.82 -1.10 1.43 3.01 -1.26 -4.83 117.46 113.71 1j21 n PHE 147 Ca 0.01 1.04 0.04 0.00 1.01 0.00 0.00 57.45 59.55 1j21 n PHE 147 Cb 0.43 -2.12 0.26 0.00 -0.01 0.00 0.00 39.48 38.03 1j21 n PHE 147 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1j21 n GLN 148 N 1.86 2.84 0.00 -1.08 6.02 -1.26 -5.02 117.38 120.74 1j21 n GLN 148 Ca 0.21 -2.96 0.00 0.00 -0.01 0.00 0.00 57.00 54.24 1j21 n GLN 148 Cb 0.07 -1.90 0.00 0.00 1.02 0.00 0.00 30.24 29.43 1j21 n GLN 148 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1j21 n GLY 149 N -0.58 1.95 0.15 1.08 0.00 -1.26 -4.96 105.19 101.56 1j21 n GLY 149 Ca 0.27 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 45.43 1j21 n GLY 149 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1j21 h ARG 150 N 0.00 0.24 -0.50 1.61 9.65 -2.00 -2.51 114.38 120.87 1j21 h ARG 150 Ca 0.00 -0.01 0.09 0.00 -1.10 0.00 0.00 59.98 58.96 1j21 h ARG 150 Cb 0.00 -0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 28.45 1j21 h ARG 150 CO 0.00 0.16 0.03 0.87 2.80 0.00 0.00 179.97 183.83 1j21 h LYS 151 N 0.25 0.15 -0.94 0.20 6.56 -2.00 -0.96 116.57 119.83 1j21 h LYS 151 Ca 0.15 -0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.76 1j21 h LYS 151 Cb 0.13 -0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 31.71 1j21 h LYS 151 CO -0.16 0.10 0.62 0.93 -2.06 0.00 0.00 179.45 178.87 1j21 h GLU 152 N 0.15 1.18 -0.28 3.15 5.08 -1.83 -1.83 114.58 120.20 1j21 h GLU 152 Ca 0.25 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1j21 h GLU 152 Cb 0.37 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1j21 h GLU 152 CO -0.39 0.78 0.01 0.52 -1.00 0.00 0.00 179.01 178.93 1j21 h MET 153 N 1.21 0.48 -0.54 2.33 2.86 -0.92 -0.63 114.93 119.73 1j21 h MET 153 Ca 0.36 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1j21 h MET 153 Cb -0.05 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 1j21 h MET 153 CO -0.10 0.63 0.35 0.82 1.06 0.00 0.00 176.91 179.67 1j21 h ILE 154 N 0.27 1.15 0.01 -1.22 5.03 -0.98 0.02 117.51 121.79 1j21 h ILE 154 Ca 0.08 -0.30 0.02 0.00 -0.12 0.00 0.00 64.86 64.54 1j21 h ILE 154 Cb 0.41 0.38 -0.02 0.00 -3.03 0.00 0.00 36.82 34.55 1j21 h ILE 154 CO 0.01 0.15 -0.10 0.00 -0.68 0.00 0.00 178.15 177.53 1j21 h ALA 155 N 1.18 -0.12 -0.44 1.87 0.00 -1.23 -1.12 119.26 119.40 1j21 h ALA 155 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.22 1j21 h ALA 155 Cb -0.06 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1j21 h ALA 155 CO -0.04 -0.60 0.31 -0.92 0.00 0.00 0.00 179.25 178.00 1j21 h TYR 156 N -0.18 0.13 -0.34 0.00 3.20 -0.56 0.13 116.97 119.34 1j21 h TYR 156 Ca 0.04 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 1j21 h TYR 156 Cb 0.23 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1j21 h TYR 156 CO -0.16 0.06 -0.18 0.00 -1.64 0.00 0.00 178.16 176.24 1j21 h ALA 157 N 1.78 0.48 -0.02 1.82 0.00 0.18 -2.87 119.26 120.64 1j21 h ALA 157 Ca 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1j21 h ALA 157 Cb 0.67 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1j21 h ALA 157 CO -0.02 0.41 -0.01 0.93 0.00 0.00 0.00 179.25 180.55 1j21 h GLU 158 N 0.49 0.04 -1.58 0.00 5.08 -0.22 0.49 114.58 118.89 1j21 h GLU 158 Ca 0.07 -0.02 0.46 0.00 -1.00 0.00 0.00 59.36 58.88 1j21 h GLU 158 Cb 0.72 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.89 1j21 h GLU 158 CO 0.05 0.45 1.12 0.00 -1.00 0.00 0.00 179.01 179.62 1j21 h ALA 159 N 0.59 3.38 -0.09 3.43 0.00 -0.81 2.34 119.26 128.10 1j21 h ALA 159 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1j21 h ALA 159 Cb 0.43 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1j21 h ALA 159 CO 0.00 -1.88 0.00 0.72 0.00 0.00 0.00 179.25 178.09 1j21 n HIS 160 N -4.17 0.10 -2.74 0.00 8.25 -0.89 -5.03 115.22 110.74 1j21 n HIS 160 Ca 0.36 -0.07 -0.04 0.00 -0.26 0.00 0.00 57.72 57.71 1j21 n HIS 160 Cb 1.63 -0.00 0.02 0.00 1.12 0.00 0.00 29.99 32.76 1j21 n HIS 160 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j21 n GLY 161 N 0.93 -0.88 3.08 -1.41 0.00 0.79 -5.05 105.19 102.64 1j21 n GLY 161 Ca 0.11 0.33 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 1j21 n GLY 161 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j21 s ILE 162 N -3.11 1.61 0.37 -0.61 1.01 0.57 -4.96 121.20 116.08 1j21 s ILE 162 Ca 0.13 -0.71 -0.23 0.00 0.00 0.00 0.00 60.65 59.84 1j21 s ILE 162 Cb -0.02 -1.46 -0.15 0.00 0.01 0.00 0.00 42.46 40.84 1j21 s ILE 162 CO 0.57 0.46 0.23 -2.65 0.00 0.00 0.00 174.94 173.55 1j21 n PRO 163 N 4.16 0.09 -4.17 2.79 -0.02 -1.26 -4.50 135.00 132.09 1j21 n PRO 163 Ca -0.19 0.03 -0.13 0.00 -2.02 0.00 0.00 63.50 61.19 1j21 n PRO 163 Cb 0.51 -1.07 -0.09 0.00 -0.02 0.00 0.00 33.50 32.83 1j21 n PRO 163 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1j21 s VAL 164 N -1.53 0.00 0.00 -1.45 -7.23 -1.26 -4.89 120.40 104.04 1j21 s VAL 164 Ca 0.61 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 1j21 s VAL 164 Cb -0.68 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 33.80 1j21 s VAL 164 CO 0.61 0.00 0.00 -2.65 -0.31 0.00 0.00 175.10 172.75 1j21 n PRO 165 N -0.34 2.36 0.00 4.82 -0.02 -1.26 -5.19 135.00 135.36 1j21 n PRO 165 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1j21 n PRO 165 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.13 1j21 n PRO 165 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1j21 n PRO 171 N 0.00 0.01 -3.58 0.52 -0.04 -1.26 -5.27 135.00 125.38 1j21 n PRO 171 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1j21 n PRO 171 Cb 0.00 -0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 1j21 n PRO 171 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1j21 s TYR 172 N 0.00 -0.22 0.12 0.54 -0.85 -1.26 -1.73 117.35 113.95 1j21 s TYR 172 Ca 0.00 0.26 -0.02 0.00 -0.52 0.00 0.00 57.07 56.78 1j21 s TYR 172 Cb 0.00 0.50 -0.05 0.00 0.38 0.00 0.00 41.96 42.79 1j21 s TYR 172 CO 0.00 -0.27 0.31 0.45 -1.52 0.00 0.00 175.55 174.52 1j21 s SER 173 N -1.73 6.42 -0.02 -0.18 0.15 0.81 -4.91 113.70 114.25 1j21 s SER 173 Ca 0.05 0.43 -0.09 0.00 0.70 0.00 0.00 55.95 57.04 1j21 s SER 173 Cb -0.01 -2.02 0.01 0.00 -1.71 0.00 0.00 66.02 62.29 1j21 s SER 173 CO -0.04 0.08 0.19 0.00 1.20 0.00 0.00 173.24 174.67 1j21 s MET 174 N -2.72 0.47 -0.10 5.44 0.23 -1.26 -0.78 119.30 120.59 1j21 s MET 174 Ca 0.38 -0.22 0.01 0.00 -1.03 0.00 0.00 55.69 54.84 1j21 s MET 174 Cb -0.12 0.20 0.02 0.00 -1.53 0.00 0.00 34.83 33.40 1j21 s MET 174 CO 0.27 -0.11 -0.13 0.34 -2.03 0.00 0.00 175.02 173.36 1j21 s ASP 175 N -1.07 2.18 -0.04 -1.18 3.68 -0.25 -4.93 116.67 115.07 1j21 s ASP 175 Ca -0.12 -0.36 0.04 0.00 2.13 0.00 0.00 52.55 54.24 1j21 s ASP 175 Cb -0.06 -0.96 -0.00 0.00 -1.45 0.00 0.00 42.92 40.45 1j21 s ASP 175 CO 0.02 -0.01 -0.16 0.00 0.13 0.00 0.00 175.17 175.16 1j21 s ALA 176 N 1.03 1.38 0.33 3.66 0.00 -1.26 0.59 121.76 127.49 1j21 s ALA 176 Ca -0.07 -0.62 -0.04 0.00 0.00 0.00 0.00 51.96 51.23 1j21 s ALA 176 Cb -0.15 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.54 1j21 s ALA 176 CO -0.01 0.26 0.49 0.27 0.00 0.00 0.00 175.76 176.77 1j21 n ASN 177 N 3.12 -1.39 0.29 0.00 0.23 -0.04 -3.72 115.26 113.75 1j21 n ASN 177 Ca -0.18 -2.70 0.18 0.00 -0.53 0.00 0.00 54.58 51.36 1j21 n ASN 177 Cb 0.53 2.53 0.92 0.00 -2.08 0.00 0.00 39.78 41.69 1j21 n ASN 177 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1j21 h LEU 178 N 0.00 0.00 0.07 -4.53 6.46 -0.38 -2.72 115.31 114.20 1j21 h LEU 178 Ca -0.26 0.00 -0.34 0.00 -0.12 0.00 0.00 57.88 57.16 1j21 h LEU 178 Cb 1.10 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.00 1j21 h LEU 178 CO 0.35 0.00 -1.93 -0.11 -0.62 0.00 0.00 178.44 176.13 1j21 n LEU 179 N -3.21 1.92 0.00 2.25 0.00 -1.26 -4.83 117.00 111.87 1j21 n LEU 179 Ca -0.01 0.26 -0.01 0.00 0.00 0.00 0.00 56.01 56.25 1j21 n LEU 179 Cb 0.30 -0.59 0.01 0.00 0.00 0.00 0.00 43.42 43.15 1j21 n LEU 179 CO 0.19 0.68 0.49 0.00 0.00 0.00 0.00 177.39 178.75 1j21 n HIS 180 N -3.29 -0.91 -4.04 1.96 1.44 -1.03 -4.59 115.22 104.77 1j21 n HIS 180 Ca -0.27 -0.68 -0.20 0.00 -2.01 0.00 0.00 57.72 54.56 1j21 n HIS 180 Cb 1.05 0.33 -0.17 0.00 0.12 0.00 0.00 29.99 31.33 1j21 n HIS 180 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1j21 s ILE 181 N -2.25 0.43 -0.03 0.61 1.01 -1.02 -0.86 121.20 119.10 1j21 s ILE 181 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.74 1j21 s ILE 181 Cb -0.01 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 1j21 s ILE 181 CO 0.03 0.21 0.07 -0.55 0.00 0.00 0.00 174.94 174.70 1j21 s SER 182 N 1.14 5.67 -0.03 3.58 0.15 0.20 -2.42 113.70 121.99 1j21 s SER 182 Ca -0.08 0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.77 1j21 s SER 182 Cb -0.14 -1.65 0.01 0.00 -1.71 0.00 0.00 66.02 62.54 1j21 s SER 182 CO -0.01 0.31 -0.04 -0.31 1.20 0.00 0.00 173.24 174.38 1j21 s TYR 183 N -1.12 0.63 -0.02 3.44 1.51 -0.51 -1.09 117.35 120.19 1j21 s TYR 183 Ca 0.20 -0.15 -0.29 0.00 -1.01 0.00 0.00 57.07 55.82 1j21 s TYR 183 Cb -0.12 -0.53 0.10 0.00 -0.11 0.00 0.00 41.96 41.30 1j21 s TYR 183 CO 0.11 -0.12 0.93 -1.83 -1.11 0.00 0.00 175.55 173.52 1j21 s GLU 184 N 0.59 0.78 0.35 -0.62 -1.05 0.04 -1.95 118.70 116.83 1j21 s GLU 184 Ca -0.07 -0.30 0.00 0.00 -0.15 0.00 0.00 54.97 54.45 1j21 s GLU 184 Cb -0.11 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 1j21 s GLU 184 CO -0.00 -0.34 0.00 0.41 0.95 0.00 0.00 175.26 176.28 1j21 n GLY 185 N -0.24 -2.22 7.00 -3.83 0.00 -1.26 -0.13 105.19 104.50 1j21 n GLY 185 Ca -0.08 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1j21 n GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j21 n GLY 186 N -0.10 2.83 0.26 -0.02 0.00 -1.25 -0.98 105.19 105.93 1j21 n GLY 186 Ca 0.00 -0.18 0.17 0.00 0.00 0.00 0.00 46.02 46.02 1j21 n GLY 186 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1j21 h VAL 187 N 0.00 0.00 0.00 1.61 2.07 -1.73 -2.31 116.25 115.90 1j21 h VAL 187 Ca 0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1j21 h VAL 187 Cb 0.00 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1j21 h VAL 187 CO 0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.77 1j21 n LEU 188 N -2.81 0.20 0.16 2.57 4.32 -0.15 -3.17 117.00 118.12 1j21 n LEU 188 Ca -0.01 0.54 0.13 0.00 -0.02 0.00 0.00 56.01 56.65 1j21 n LEU 188 Cb 0.16 -0.50 0.56 0.00 -1.62 0.00 0.00 43.42 42.02 1j21 n LEU 188 CO 0.20 -0.26 0.88 -0.33 -1.22 0.00 0.00 177.39 176.67 1j21 h GLU 189 N 0.00 0.00 -4.82 3.23 5.08 -1.47 -3.37 114.58 113.22 1j21 h GLU 189 Ca 0.00 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.67 1j21 h GLU 189 Cb 0.36 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.42 1j21 h GLU 189 CO 0.00 0.00 0.34 0.34 -1.00 0.00 0.00 179.01 178.69 1j21 s ASP 190 N -4.42 6.32 0.46 1.42 3.68 -1.19 -4.87 116.67 118.07 1j21 s ASP 190 Ca 0.02 -1.58 0.20 0.00 2.13 0.00 0.00 52.55 53.31 1j21 s ASP 190 Cb 0.09 -2.34 1.07 0.00 -1.45 0.00 0.00 42.92 40.30 1j21 s ASP 190 CO 0.37 -1.12 1.55 1.55 0.13 0.00 0.00 175.17 177.65 1j21 h PRO 191 N 9.06 0.00 -0.01 4.34 0.13 -1.91 0.43 132.00 144.05 1j21 h PRO 191 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1j21 h PRO 191 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1j21 h PRO 191 CO 1.09 0.00 -0.51 1.87 -0.23 0.00 0.00 178.00 180.22 1j21 n TRP 192 N -2.39 0.00 -3.51 1.56 -0.00 -1.26 -4.87 117.44 106.97 1j21 n TRP 192 Ca -0.01 0.00 -0.37 0.00 -0.00 0.00 0.00 57.50 57.12 1j21 n TRP 192 Cb 0.34 -0.11 -0.08 0.00 -0.00 0.00 0.00 31.31 31.46 1j21 n TRP 192 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1j21 s ALA 193 N -2.74 3.58 0.47 5.87 0.00 0.15 -5.07 121.76 124.03 1j21 s ALA 193 Ca 0.16 -0.59 -0.23 0.00 0.00 0.00 0.00 51.96 51.31 1j21 s ALA 193 Cb 0.18 -2.47 -0.07 0.00 0.00 0.00 0.00 23.12 20.76 1j21 s ALA 193 CO 0.65 -0.13 1.16 -2.00 0.00 0.00 0.00 175.76 175.43 1j21 s GLU 194 N 0.94 3.73 0.56 0.00 2.12 -1.26 -4.89 118.70 119.90 1j21 s GLU 194 Ca 0.15 1.74 -0.21 0.00 0.36 0.00 0.00 54.97 57.02 1j21 s GLU 194 Cb -0.14 -2.37 -0.05 0.00 0.26 0.00 0.00 34.13 31.83 1j21 s GLU 194 CO 0.05 -0.57 1.21 -2.30 -0.54 0.00 0.00 175.26 173.12 1j21 n PRO 195 N -0.56 1.38 -1.84 4.30 -0.02 -1.26 -4.89 135.00 132.11 1j21 n PRO 195 Ca 0.08 0.51 -0.40 0.00 -2.02 0.00 0.00 63.50 61.67 1j21 n PRO 195 Cb 0.48 -2.40 0.01 0.00 -0.02 0.00 0.00 33.50 31.57 1j21 n PRO 195 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1j21 s PRO 196 N -2.81 3.89 0.31 0.52 0.04 -1.26 -4.93 135.00 130.76 1j21 s PRO 196 Ca 0.73 2.44 -0.29 0.00 0.04 0.00 0.00 61.00 63.92 1j21 s PRO 196 Cb -0.43 -2.80 -0.13 0.00 0.04 0.00 0.00 34.50 31.19 1j21 s PRO 196 CO 0.48 -0.66 1.33 1.63 0.04 0.00 0.00 177.00 179.83 1j21 n LYS 197 N 0.12 2.10 -1.00 4.56 5.02 -1.26 -2.04 118.16 125.65 1j21 n LYS 197 Ca 0.03 0.74 -0.00 0.00 -2.02 0.00 0.00 58.31 57.06 1j21 n LYS 197 Cb 0.41 -2.35 -0.00 0.00 -0.02 0.00 0.00 35.03 33.07 1j21 n LYS 197 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j21 n GLY 198 N 1.29 0.46 0.12 0.72 0.00 -1.26 -4.95 105.19 101.57 1j21 n GLY 198 Ca 0.07 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1j21 n GLY 198 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1j21 h MET 199 N 0.90 0.31 -6.88 1.61 -1.53 -1.78 -3.45 114.93 104.10 1j21 h MET 199 Ca -0.00 -0.17 -0.56 0.00 -3.44 0.00 0.00 59.70 55.52 1j21 h MET 199 Cb 0.08 0.01 0.14 0.00 -0.55 0.00 0.00 31.60 31.28 1j21 h MET 199 CO 0.00 0.73 0.40 1.19 0.14 0.00 0.00 176.91 179.37 1j21 n PHE 200 N -4.58 1.75 0.00 1.39 3.01 -1.26 -4.95 117.46 112.82 1j21 n PHE 200 Ca -0.07 0.47 0.00 0.00 1.01 0.00 0.00 57.45 58.86 1j21 n PHE 200 Cb 0.37 -2.30 0.00 0.00 -0.01 0.00 0.00 39.48 37.54 1j21 n PHE 200 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1j21 n ARG 201 N -0.57 2.06 0.07 -1.08 1.74 -1.26 -4.81 116.66 112.80 1j21 n ARG 201 Ca 0.10 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.17 1j21 n ARG 201 Cb 0.43 -0.91 -0.06 0.00 -1.02 0.00 0.00 32.46 30.91 1j21 n ARG 201 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 1j21 h MET 202 N 0.00 0.00 -6.02 5.56 4.05 -1.95 -3.45 114.93 113.12 1j21 h MET 202 Ca 0.00 0.00 -0.68 0.00 -0.28 0.00 0.00 59.70 58.74 1j21 h MET 202 Cb 0.81 0.00 -0.27 0.00 -0.80 0.00 0.00 31.60 31.34 1j21 h MET 202 CO 0.00 0.47 -0.82 0.95 0.23 0.00 0.00 176.91 177.74 1j21 s THR 203 N -2.88 2.64 0.65 -0.77 -4.23 -1.26 -4.57 115.64 105.22 1j21 s THR 203 Ca -0.00 -0.86 -0.15 0.00 -1.18 0.00 0.00 61.69 59.50 1j21 s THR 203 Cb 0.08 -2.02 -0.01 0.00 1.34 0.00 0.00 72.50 71.90 1j21 s THR 203 CO 0.79 0.57 1.11 -1.58 -0.54 0.00 0.00 174.62 174.97 1j21 s GLN 204 N -0.29 2.87 0.06 3.99 0.74 0.34 -4.87 119.66 122.50 1j21 s GLN 204 Ca 0.01 1.38 -0.30 0.00 0.05 0.00 0.00 55.36 56.50 1j21 s GLN 204 Cb -0.13 -1.96 -0.05 0.00 1.10 0.00 0.00 33.01 31.97 1j21 s GLN 204 CO 0.03 -1.19 1.17 0.34 -0.55 0.00 0.00 175.29 175.08 1j21 s ASP 205 N -2.58 7.12 0.29 6.67 2.15 -1.26 -3.19 116.67 125.88 1j21 s ASP 205 Ca 0.67 1.98 0.04 0.00 0.43 0.00 0.00 52.55 55.67 1j21 s ASP 205 Cb -0.20 -2.58 0.74 0.00 -0.30 0.00 0.00 42.92 40.58 1j21 s ASP 205 CO 0.41 -0.43 1.70 -0.65 -0.17 0.00 0.00 175.17 176.02 1j21 h PRO 206 N 6.70 0.39 0.00 4.34 0.11 -1.84 0.53 132.00 142.23 1j21 h PRO 206 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1j21 h PRO 206 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1j21 h PRO 206 CO 0.80 0.26 0.00 0.39 -0.21 0.00 0.00 178.00 179.24 1j21 n GLU 207 N -5.04 0.09 -0.03 1.05 4.71 -1.26 -0.74 120.64 119.41 1j21 n GLU 207 Ca 0.22 0.55 0.01 0.00 -0.01 0.00 0.00 57.16 57.94 1j21 n GLU 207 Cb 0.66 -1.76 0.03 0.00 -1.01 0.00 0.00 31.44 29.36 1j21 n GLU 207 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1j21 n GLU 208 N -1.94 1.84 -2.06 3.49 -0.58 0.18 -5.05 120.64 116.52 1j21 n GLU 208 Ca -0.00 -1.33 -0.32 0.00 -0.42 0.00 0.00 57.16 55.08 1j21 n GLU 208 Cb 0.04 -1.06 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 1j21 n GLU 208 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1j21 s ALA 209 N -0.76 2.92 0.34 0.62 0.00 0.08 -4.90 121.76 120.06 1j21 s ALA 209 Ca 0.05 0.17 -0.24 0.00 0.00 0.00 0.00 51.96 51.93 1j21 s ALA 209 Cb 0.03 -3.15 -0.14 0.00 0.00 0.00 0.00 23.12 19.85 1j21 s ALA 209 CO 0.04 -0.65 0.53 -2.30 0.00 0.00 0.00 175.76 173.39 1j21 n PRO 210 N -2.20 0.46 0.20 0.00 -0.02 -1.26 -4.88 135.00 127.31 1j21 n PRO 210 Ca 0.07 0.17 0.14 0.00 -2.02 0.00 0.00 63.50 61.85 1j21 n PRO 210 Cb 0.54 -1.35 0.41 0.00 -0.02 0.00 0.00 33.50 33.07 1j21 n PRO 210 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1j21 h ASP 211 N 0.95 0.00 -3.52 2.55 3.32 -1.98 -3.43 116.42 114.32 1j21 h ASP 211 Ca -0.37 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.01 1j21 h ASP 211 Cb 1.41 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.77 1j21 h ASP 211 CO 0.53 0.00 -0.67 0.00 -1.72 0.00 0.00 179.24 177.38 1j21 s ALA 212 N -3.34 3.05 0.95 3.45 0.00 -1.26 -5.09 121.76 119.52 1j21 s ALA 212 Ca 0.06 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 51.05 1j21 s ALA 212 Cb 0.08 -1.34 0.16 0.00 0.00 0.00 0.00 23.12 22.02 1j21 s ALA 212 CO 0.58 0.51 1.11 -2.14 0.00 0.00 0.00 175.76 175.82 1j21 s PRO 213 N -0.61 0.77 -0.00 0.00 0.02 -1.26 -4.96 135.00 128.95 1j21 s PRO 213 Ca 0.09 1.29 0.04 0.00 0.02 0.00 0.00 61.00 62.44 1j21 s PRO 213 Cb -0.12 -1.72 -0.01 0.00 0.02 0.00 0.00 34.50 32.67 1j21 s PRO 213 CO 0.02 -2.72 -0.14 -2.00 -0.33 0.00 0.00 177.00 171.84 1j21 s GLU 214 N -4.67 1.07 -0.07 5.54 2.12 -0.65 -4.96 118.70 117.08 1j21 s GLU 214 Ca 0.66 -0.54 -0.02 0.00 0.36 0.00 0.00 54.97 55.43 1j21 s GLU 214 Cb -0.22 -1.04 -0.04 0.00 0.26 0.00 0.00 34.13 33.09 1j21 s GLU 214 CO 0.59 0.28 0.06 0.71 -0.54 0.00 0.00 175.26 176.36 1j21 s TYR 215 N -0.42 3.29 -0.00 5.30 1.51 -1.26 -0.62 117.35 125.16 1j21 s TYR 215 Ca 0.05 0.27 -0.01 0.00 -1.01 0.00 0.00 57.07 56.37 1j21 s TYR 215 Cb -0.06 -1.80 -0.00 0.00 -0.11 0.00 0.00 41.96 39.99 1j21 s TYR 215 CO -0.00 0.55 0.01 0.54 -1.11 0.00 0.00 175.55 175.55 1j21 s VAL 216 N -1.02 0.02 -0.03 0.71 0.11 -0.39 -5.00 120.40 114.80 1j21 s VAL 216 Ca 0.17 -0.14 0.07 0.00 -2.93 0.00 0.00 61.98 59.15 1j21 s VAL 216 Cb -0.12 -0.07 -0.01 0.00 -1.53 0.00 0.00 36.38 34.64 1j21 s VAL 216 CO 0.06 -0.08 -0.24 -1.61 -3.33 0.00 0.00 175.10 169.91 1j21 s GLU 217 N -0.22 2.16 -0.08 1.54 2.02 -1.26 -0.40 118.70 122.47 1j21 s GLU 217 Ca -0.02 -0.87 0.03 0.00 0.02 0.00 0.00 54.97 54.13 1j21 s GLU 217 Cb -0.02 -1.97 0.01 0.00 0.10 0.00 0.00 34.13 32.25 1j21 s GLU 217 CO -0.00 0.46 -0.16 0.08 0.02 0.00 0.00 175.26 175.66 1j21 s VAL 218 N -0.39 1.41 -0.14 2.63 1.01 -0.44 -0.49 120.40 124.00 1j21 s VAL 218 Ca 0.04 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 1j21 s VAL 218 Cb -0.11 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 1j21 s VAL 218 CO 0.01 0.42 0.20 -0.70 0.00 0.00 0.00 175.10 175.02 1j21 s GLU 219 N 0.56 3.90 -0.06 2.72 2.12 -0.55 -1.50 118.70 125.89 1j21 s GLU 219 Ca -0.16 -0.05 0.03 0.00 0.36 0.00 0.00 54.97 55.15 1j21 s GLU 219 Cb -0.16 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 1j21 s GLU 219 CO 0.05 0.50 -0.15 -0.06 -0.54 0.00 0.00 175.26 175.07 1j21 s PHE 220 N -0.28 2.71 -0.20 5.30 0.40 0.56 -0.23 117.98 126.24 1j21 s PHE 220 Ca 0.14 -0.27 -0.16 0.00 -0.60 0.00 0.00 56.93 56.03 1j21 s PHE 220 Cb -0.12 -1.67 -0.08 0.00 0.51 0.00 0.00 43.02 41.66 1j21 s PHE 220 CO 0.03 0.09 -0.34 0.34 0.70 0.00 0.00 175.22 176.04 1j21 n PHE 221 N 2.56 0.00 -2.89 0.36 7.35 -0.56 -1.11 117.46 123.18 1j21 n PHE 221 Ca -0.17 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.39 1j21 n PHE 221 Cb 0.52 -0.63 0.02 0.00 0.35 0.00 0.00 39.48 39.74 1j21 n PHE 221 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1j21 n GLU 222 N -4.37 1.06 0.00 -4.13 1.02 -1.23 -3.92 120.64 109.07 1j21 n GLU 222 Ca -0.26 -3.01 0.00 0.00 -0.02 0.00 0.00 57.16 53.87 1j21 n GLU 222 Cb 0.62 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 1j21 n GLU 222 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j21 n GLY 223 N 0.07 3.11 3.44 0.62 0.00 -0.76 -4.18 105.19 107.48 1j21 n GLY 223 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1j21 n GLY 223 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j21 s ASP 224 N -1.25 3.78 -0.06 1.61 1.01 -1.26 -4.66 116.67 115.85 1j21 s ASP 224 Ca 0.00 -0.31 -0.30 0.00 0.71 0.00 0.00 52.55 52.65 1j21 s ASP 224 Cb 0.00 -0.69 -0.04 0.00 1.01 0.00 0.00 42.92 43.20 1j21 s ASP 224 CO 0.00 0.32 1.37 -2.16 0.21 0.00 0.00 175.17 174.90 1j21 s PRO 225 N -0.90 4.27 -0.00 8.23 0.04 -1.26 -1.50 135.00 143.87 1j21 s PRO 225 Ca 0.12 1.87 0.10 0.00 0.04 0.00 0.00 61.00 63.13 1j21 s PRO 225 Cb -0.10 -3.68 -0.12 0.00 0.04 0.00 0.00 34.50 30.63 1j21 s PRO 225 CO 0.02 -0.63 0.33 1.33 0.04 0.00 0.00 177.00 178.09 1j21 n VAL 226 N 4.95 0.00 -3.63 -0.36 0.24 0.68 -4.86 118.33 115.35 1j21 n VAL 226 Ca 0.14 -0.26 -0.12 0.00 -2.04 0.00 0.00 64.34 62.06 1j21 n VAL 226 Cb 0.44 0.73 -0.06 0.00 -1.47 0.00 0.00 33.84 33.49 1j21 n VAL 226 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1j21 s ALA 227 N -2.18 -1.06 -0.07 2.33 0.00 -1.21 -1.90 121.76 117.68 1j21 s ALA 227 Ca 0.01 0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.25 1j21 s ALA 227 Cb 0.07 0.47 0.02 0.00 0.00 0.00 0.00 23.12 23.67 1j21 s ALA 227 CO 0.40 -0.53 -0.10 0.08 0.00 0.00 0.00 175.76 175.61 1j21 s VAL 228 N -2.88 1.02 -1.72 0.00 1.01 -0.70 -1.48 120.40 115.65 1j21 s VAL 228 Ca -0.03 -0.39 -0.19 0.00 0.00 0.00 0.00 61.98 61.36 1j21 s VAL 228 Cb -0.00 -0.95 0.17 0.00 0.00 0.00 0.00 36.38 35.60 1j21 s VAL 228 CO -0.05 0.33 0.74 0.59 0.00 0.00 0.00 175.10 176.71 1j21 n ASN 229 N 3.98 -3.05 0.00 3.32 3.02 0.36 -0.43 115.26 122.46 1j21 n ASN 229 Ca -0.22 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.31 1j21 n ASN 229 Cb 0.51 -2.52 0.00 0.00 -0.61 0.00 0.00 39.78 37.16 1j21 n ASN 229 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j21 n GLY 230 N -1.30 1.60 3.61 7.41 0.00 -1.26 -5.03 105.19 110.22 1j21 n GLY 230 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1j21 n GLY 230 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j21 s GLU 231 N -0.25 3.99 0.24 1.61 2.12 0.43 -5.05 118.70 121.78 1j21 s GLU 231 Ca 0.00 -0.31 -0.30 0.00 0.36 0.00 0.00 54.97 54.72 1j21 s GLU 231 Cb 0.00 -3.61 -0.10 0.00 0.26 0.00 0.00 34.13 30.68 1j21 s GLU 231 CO 0.00 -0.09 1.43 1.03 -0.54 0.00 0.00 175.26 177.08 1j21 s ARG 232 N 1.51 4.28 0.01 4.30 1.81 -1.26 -1.72 118.95 127.88 1j21 s ARG 232 Ca 0.07 2.27 0.01 0.00 -1.72 0.00 0.00 55.73 56.36 1j21 s ARG 232 Cb -0.15 -3.12 -0.01 0.00 -0.45 0.00 0.00 34.95 31.21 1j21 s ARG 232 CO 0.09 -0.41 -0.04 -0.51 -0.68 0.00 0.00 175.30 173.75 1j21 s LEU 233 N -0.26 2.11 0.83 2.53 1.43 -0.80 -4.95 118.68 119.58 1j21 s LEU 233 Ca 0.59 -0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 53.33 1j21 s LEU 233 Cb -0.41 -0.09 0.09 0.00 0.03 0.00 0.00 46.19 45.81 1j21 s LEU 233 CO 0.42 -0.09 1.10 -0.94 0.23 0.00 0.00 176.35 177.07 1j21 s SER 234 N -0.71 3.94 0.17 2.29 1.04 -1.26 -4.57 113.70 114.60 1j21 s SER 234 Ca -0.05 1.82 -0.22 0.00 0.48 0.00 0.00 55.95 57.98 1j21 s SER 234 Cb -0.05 -2.46 0.08 0.00 0.10 0.00 0.00 66.02 63.69 1j21 s SER 234 CO -0.00 -2.39 1.59 -0.65 0.98 0.00 0.00 173.24 172.77 1j21 h PRO 235 N -1.38 -0.21 -0.53 4.02 0.11 -1.92 0.63 132.00 132.72 1j21 h PRO 235 Ca -0.45 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 1j21 h PRO 235 Cb 1.25 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 1j21 h PRO 235 CO 0.50 -0.14 0.05 0.00 -0.21 0.00 0.00 178.00 178.20 1j21 h ALA 236 N 0.85 0.71 -0.64 -0.75 0.00 -1.84 -1.87 119.26 115.73 1j21 h ALA 236 Ca 0.19 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1j21 h ALA 236 Cb 0.54 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1j21 h ALA 236 CO -0.59 0.49 0.16 0.00 0.00 0.00 0.00 179.25 179.31 1j21 h ALA 237 N 0.97 1.07 -0.44 0.00 0.00 -1.72 -1.52 119.26 117.62 1j21 h ALA 237 Ca 0.16 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1j21 h ALA 237 Cb 0.47 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1j21 h ALA 237 CO 0.02 0.62 -0.19 1.25 0.00 0.00 0.00 179.25 180.95 1j21 h LEU 238 N 0.96 0.87 -0.57 0.00 6.46 0.43 -0.61 115.31 122.85 1j21 h LEU 238 Ca 0.20 -0.31 -0.12 0.00 -0.12 0.00 0.00 57.88 57.53 1j21 h LEU 238 Cb 0.34 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 1j21 h LEU 238 CO 0.00 1.04 -0.20 0.25 -0.62 0.00 0.00 178.44 178.92 1j21 h LEU 239 N 0.76 0.96 0.23 2.25 6.46 -1.05 -2.21 115.31 122.71 1j21 h LEU 239 Ca 0.11 -0.35 -0.01 0.00 -0.12 0.00 0.00 57.88 57.51 1j21 h LEU 239 Cb 0.72 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 1j21 h LEU 239 CO 0.06 1.12 -0.11 -0.61 -0.62 0.00 0.00 178.44 178.27 1j21 h GLN 240 N 0.82 -0.30 -0.48 1.25 5.75 -1.06 -1.62 115.11 119.47 1j21 h GLN 240 Ca 0.11 0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.73 1j21 h GLN 240 Cb 0.75 0.07 -0.08 0.00 1.07 0.00 0.00 27.48 29.29 1j21 h GLN 240 CO 0.06 -0.16 -0.03 -0.09 -2.65 0.00 0.00 178.83 175.95 1j21 h ARG 241 N -0.36 0.08 0.00 1.69 9.65 -1.00 -0.77 114.38 123.67 1j21 h ARG 241 Ca -0.03 -0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.80 1j21 h ARG 241 Cb 0.28 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 1j21 h ARG 241 CO 0.05 0.05 -0.20 -0.07 2.80 0.00 0.00 179.97 182.60 1j21 h LEU 242 N 0.08 0.00 -0.34 3.80 3.38 -1.27 -2.01 115.31 118.94 1j21 h LEU 242 Ca 0.24 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.05 1j21 h LEU 242 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1j21 h LEU 242 CO -0.42 0.20 -0.40 0.78 0.09 0.00 0.00 178.44 178.68 1j21 h ASN 243 N 0.00 0.95 0.30 -0.43 2.35 -0.16 -0.16 115.58 118.43 1j21 h ASN 243 Ca -0.00 -0.48 -0.01 0.00 -0.55 0.00 0.00 56.30 55.25 1j21 h ASN 243 Cb 0.57 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1j21 h ASN 243 CO 0.03 1.24 -0.14 -0.33 -1.65 0.00 0.00 177.43 176.58 1j21 h GLU 244 N 0.68 -0.38 -0.47 0.81 5.08 -0.89 1.04 114.58 120.44 1j21 h GLU 244 Ca 0.05 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1j21 h GLU 244 Cb 1.00 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1j21 h GLU 244 CO 0.10 -0.20 0.26 0.82 -1.00 0.00 0.00 179.01 178.98 1j21 h ILE 245 N -0.48 1.17 -0.07 3.13 2.04 -1.41 -1.87 117.51 120.02 1j21 h ILE 245 Ca -0.04 -0.44 -0.25 0.00 1.00 0.00 0.00 64.86 65.13 1j21 h ILE 245 Cb 0.36 0.60 0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1j21 h ILE 245 CO 0.07 0.18 -0.92 1.23 0.00 0.00 0.00 178.15 178.70 1j21 h GLY 246 N 0.62 0.84 0.87 5.37 0.00 -0.94 -3.26 103.07 106.58 1j21 h GLY 246 Ca 0.17 -1.33 0.02 0.00 0.00 0.00 0.00 47.33 46.19 1j21 h GLY 246 CO -0.03 1.18 0.14 -1.33 0.00 0.00 0.00 176.54 176.50 1j21 h GLY 247 N 0.47 0.37 0.03 4.60 0.00 0.12 -1.02 103.07 107.65 1j21 h GLY 247 Ca -0.09 -0.10 0.25 0.00 0.00 0.00 0.00 47.33 47.39 1j21 h GLY 247 CO 0.19 0.08 0.66 -0.09 0.00 0.00 0.00 176.54 177.37 1j21 h ARG 248 N 0.29 0.32 -0.27 4.80 2.43 -1.39 0.87 114.38 121.43 1j21 h ARG 248 Ca 0.12 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1j21 h ARG 248 Cb 0.04 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1j21 h ARG 248 CO -0.08 0.21 0.00 0.72 -1.51 0.00 0.00 179.97 179.31 1j21 n HIS 249 N -4.51 0.35 -2.92 2.20 8.25 -0.64 -4.44 115.22 113.51 1j21 n HIS 249 Ca 0.22 -0.17 -0.16 0.00 -0.26 0.00 0.00 57.72 57.35 1j21 n HIS 249 Cb 0.85 0.00 0.03 0.00 1.12 0.00 0.00 29.99 32.00 1j21 n HIS 249 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j21 n GLY 250 N 1.30 -0.17 3.84 -1.41 0.00 0.27 0.50 105.19 109.52 1j21 n GLY 250 Ca 0.17 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1j21 n GLY 250 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j21 s VAL 251 N -3.05 4.72 0.00 1.61 1.01 -0.48 -3.73 120.40 120.48 1j21 s VAL 251 Ca 0.27 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1j21 s VAL 251 Cb -0.12 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1j21 s VAL 251 CO 0.33 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1j21 n GLY 252 N 0.13 0.96 3.64 4.51 0.00 -1.26 -2.98 105.19 110.20 1j21 n GLY 252 Ca 0.00 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1j21 n GLY 252 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j21 s ARG 253 N -3.44 3.94 0.01 1.61 0.52 -1.26 0.40 118.95 120.72 1j21 s ARG 253 Ca 0.00 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.87 1j21 s ARG 253 Cb 0.00 -3.20 -0.01 0.00 0.52 0.00 0.00 34.95 32.26 1j21 s ARG 253 CO 0.00 0.30 -0.02 0.54 0.02 0.00 0.00 175.30 176.14 1j21 s VAL 254 N 0.29 0.09 -0.25 3.52 0.11 0.06 -5.00 120.40 119.21 1j21 s VAL 254 Ca 0.04 -0.36 0.00 0.00 -2.93 0.00 0.00 61.98 58.72 1j21 s VAL 254 Cb -0.12 -0.14 0.07 0.00 -1.53 0.00 0.00 36.38 34.66 1j21 s VAL 254 CO 0.00 -0.18 -0.00 -0.62 -3.33 0.00 0.00 175.10 170.97 1j21 s ASP 255 N -0.56 3.84 0.04 3.54 -1.08 -1.26 -0.58 116.67 120.61 1j21 s ASP 255 Ca -0.06 -1.31 0.01 0.00 -0.52 0.00 0.00 52.55 50.67 1j21 s ASP 255 Cb -0.04 -1.08 -0.03 0.00 -1.46 0.00 0.00 42.92 40.31 1j21 s ASP 255 CO -0.00 -0.29 -0.05 0.27 0.52 0.00 0.00 175.17 175.62 1j21 s ILE 256 N 1.45 0.32 -0.38 4.11 -4.36 0.99 -5.00 121.20 118.33 1j21 s ILE 256 Ca -0.01 -1.33 -0.13 0.00 -0.26 0.00 0.00 60.65 58.93 1j21 s ILE 256 Cb -0.18 -0.87 0.02 0.00 1.25 0.00 0.00 42.46 42.68 1j21 s ILE 256 CO -0.10 -0.65 0.24 -0.69 0.24 0.00 0.00 174.94 173.98 1j21 s VAL 257 N -2.37 4.89 0.35 8.37 1.01 -1.26 0.11 120.40 131.50 1j21 s VAL 257 Ca -0.05 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.27 1j21 s VAL 257 Cb -0.03 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 1j21 s VAL 257 CO -0.03 -0.24 0.42 -1.83 0.00 0.00 0.00 175.10 173.41 1j21 s GLU 258 N 1.62 2.94 -0.38 2.72 -1.05 0.90 -4.82 118.70 120.63 1j21 s GLU 258 Ca 0.04 -1.14 -0.13 0.00 -0.15 0.00 0.00 54.97 53.58 1j21 s GLU 258 Cb -0.19 -2.69 0.01 0.00 -0.44 0.00 0.00 34.13 30.82 1j21 s GLU 258 CO 0.08 0.03 0.26 -0.80 0.95 0.00 0.00 175.26 175.79 1j21 s ASN 259 N -4.13 6.02 0.72 0.83 0.01 -1.26 -0.49 114.94 116.64 1j21 s ASN 259 Ca 0.45 -0.72 -0.11 0.00 -0.71 0.00 0.00 52.86 51.76 1j21 s ASN 259 Cb -0.08 -2.13 0.03 0.00 0.41 0.00 0.00 41.25 39.48 1j21 s ASN 259 CO 0.30 -0.35 1.08 -0.13 -1.51 0.00 0.00 177.10 176.48 1j21 s ARG 260 N 1.68 2.66 0.42 -0.60 0.52 -0.30 -4.94 118.95 118.38 1j21 s ARG 260 Ca 0.05 1.08 0.21 0.00 -0.52 0.00 0.00 55.73 56.55 1j21 s ARG 260 Cb -0.18 -1.95 0.87 0.00 0.52 0.00 0.00 34.95 34.21 1j21 s ARG 260 CO 0.10 -1.33 1.82 0.35 0.02 0.00 0.00 175.30 176.26 1j21 h PHE 261 N -0.80 0.00 0.00 -0.53 3.57 -1.92 -2.92 116.94 114.34 1j21 h PHE 261 Ca -0.44 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1j21 h PHE 261 Cb 1.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1j21 h PHE 261 CO 0.60 0.30 0.00 0.28 -2.23 0.00 0.00 178.31 177.25 1j21 n VAL 262 N -3.57 0.29 0.00 1.41 0.31 -1.26 -4.94 118.33 110.58 1j21 n VAL 262 Ca -0.01 0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1j21 n VAL 262 Cb 0.43 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 1j21 n VAL 262 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j21 n GLY 263 N 0.89 1.17 3.73 2.92 0.00 -1.10 -5.13 105.19 107.68 1j21 n GLY 263 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1j21 n GLY 263 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1j21 s MET 264 N 0.00 2.37 0.48 1.61 0.00 -1.26 -4.89 119.30 117.62 1j21 s MET 264 Ca 0.00 -1.56 -0.10 0.00 0.00 0.00 0.00 55.69 54.04 1j21 s MET 264 Cb 0.00 -2.17 -0.05 0.00 0.00 0.00 0.00 34.83 32.61 1j21 s MET 264 CO 0.00 0.10 0.85 0.15 0.00 0.00 0.00 175.02 176.12 1j21 s LYS 265 N -3.85 3.69 -0.11 3.16 1.02 -1.26 -1.15 119.74 121.24 1j21 s LYS 265 Ca 0.38 0.50 -0.12 0.00 0.02 0.00 0.00 55.97 56.75 1j21 s LYS 265 Cb -0.02 -2.29 0.03 0.00 -0.52 0.00 0.00 37.83 35.02 1j21 s LYS 265 CO 0.23 -0.22 0.33 0.45 -0.92 0.00 0.00 175.35 175.22 1j21 s SER 266 N -3.63 -0.33 -0.28 2.83 0.15 0.36 -4.89 113.70 107.90 1j21 s SER 266 Ca 0.52 0.59 -0.21 0.00 0.70 0.00 0.00 55.95 57.54 1j21 s SER 266 Cb -0.10 0.63 -0.01 0.00 -1.71 0.00 0.00 66.02 64.83 1j21 s SER 266 CO 0.40 -0.17 0.68 -0.60 1.20 0.00 0.00 173.24 174.74 1j21 s ARG 267 N -0.07 4.00 0.02 5.44 3.00 -1.26 -0.07 118.95 130.02 1j21 s ARG 267 Ca -0.02 0.49 0.06 0.00 -1.00 0.00 0.00 55.73 55.25 1j21 s ARG 267 Cb -0.03 -3.70 -0.02 0.00 0.00 0.00 0.00 34.95 31.21 1j21 s ARG 267 CO 0.01 -0.54 -0.17 0.20 0.00 0.00 0.00 175.30 174.81 1j21 s GLY 268 N 1.56 0.88 -0.08 8.12 0.00 0.30 -4.38 107.32 113.72 1j21 s GLY 268 Ca 0.28 -0.84 0.03 0.00 0.00 0.00 0.00 44.72 44.19 1j21 s GLY 268 CO 0.10 -0.77 -0.17 0.14 0.00 0.00 0.00 173.10 172.40 1j21 s VAL 269 N -0.67 1.51 0.04 1.40 1.01 -0.82 -0.01 120.40 122.85 1j21 s VAL 269 Ca 0.05 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1j21 s VAL 269 Cb -0.07 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1j21 s VAL 269 CO 0.01 0.44 -0.08 -0.31 0.00 0.00 0.00 175.10 175.16 1j21 s TYR 270 N 0.50 0.67 -0.14 5.22 1.51 0.25 -1.43 117.35 123.93 1j21 s TYR 270 Ca -0.16 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.48 1j21 s TYR 270 Cb -0.16 -0.40 0.03 0.00 -0.11 0.00 0.00 41.96 41.31 1j21 s TYR 270 CO 0.06 -0.06 -0.10 -1.83 -1.11 0.00 0.00 175.55 172.50 1j21 s GLU 271 N -1.33 1.91 -0.45 -0.62 -1.05 -1.02 -0.76 118.70 115.39 1j21 s GLU 271 Ca -0.07 -0.48 0.09 0.00 -0.15 0.00 0.00 54.97 54.35 1j21 s GLU 271 Cb -0.09 -1.95 0.30 0.00 -0.44 0.00 0.00 34.13 31.95 1j21 s GLU 271 CO 0.00 -0.29 0.69 2.41 0.95 0.00 0.00 175.26 179.02 1j21 n THR 272 N 4.83 0.49 0.00 1.83 -1.04 0.16 -2.42 114.28 118.14 1j21 n THR 272 Ca -0.15 -4.62 -0.04 0.00 -2.04 0.00 0.00 64.05 57.20 1j21 n THR 272 Cb 0.49 -1.30 -0.03 0.00 -1.82 0.00 0.00 70.33 67.68 1j21 n THR 272 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1j21 h PRO 273 N 3.52 -0.15 -0.62 -2.82 0.13 -1.73 0.10 132.00 130.44 1j21 h PRO 273 Ca 0.11 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.27 1j21 h PRO 273 Cb 0.82 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.95 1j21 h PRO 273 CO 0.58 -0.10 0.39 0.78 -0.23 0.00 0.00 178.00 179.43 1j21 h GLY 274 N -0.16 0.89 1.64 1.56 0.00 -1.83 -2.30 103.07 102.87 1j21 h GLY 274 Ca 0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1j21 h GLY 274 CO -0.10 0.27 0.05 -1.33 0.00 0.00 0.00 176.54 175.43 1j21 h GLY 275 N 0.78 0.50 1.81 4.60 0.00 -1.78 -0.66 103.07 108.31 1j21 h GLY 275 Ca 0.24 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 1j21 h GLY 275 CO -0.08 0.25 -0.61 -0.84 0.00 0.00 0.00 176.54 175.25 1j21 h THR 276 N 0.46 1.40 -0.10 4.70 2.02 -0.37 0.11 112.91 121.12 1j21 h THR 276 Ca 0.11 -2.02 -0.04 0.00 0.77 0.00 0.00 66.41 65.23 1j21 h THR 276 Cb 0.22 2.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.67 1j21 h THR 276 CO 0.00 0.59 -0.08 0.40 0.37 0.00 0.00 175.52 176.80 1j21 h ILE 277 N 0.14 1.35 -0.69 3.11 2.04 -0.87 -3.06 117.51 119.54 1j21 h ILE 277 Ca -0.01 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.67 1j21 h ILE 277 Cb 1.12 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 39.07 1j21 h ILE 277 CO 0.09 0.34 0.44 -0.07 0.00 0.00 0.00 178.15 178.95 1j21 h LEU 278 N -0.15 0.80 0.30 1.44 3.38 -0.99 -0.14 115.31 119.94 1j21 h LEU 278 Ca 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1j21 h LEU 278 Cb 0.57 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1j21 h LEU 278 CO 0.02 0.59 -0.29 0.22 0.09 0.00 0.00 178.44 179.07 1j21 h TYR 279 N 0.93 -0.78 -0.17 1.13 3.20 -0.91 -0.26 116.97 120.11 1j21 h TYR 279 Ca 0.25 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.01 1j21 h TYR 279 Cb -0.08 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1j21 h TYR 279 CO 0.00 -0.42 -0.41 0.45 -1.64 0.00 0.00 178.16 176.14 1j21 h HIS 280 N -0.62 0.46 -0.65 -3.82 3.86 -1.41 -2.74 115.15 110.23 1j21 h HIS 280 Ca -0.01 -0.13 -0.08 0.00 -1.16 0.00 0.00 60.37 58.99 1j21 h HIS 280 Cb 0.57 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.91 1j21 h HIS 280 CO -0.18 0.74 0.09 0.00 0.86 0.00 0.00 177.93 179.44 1j21 h ALA 281 N 1.25 0.93 0.01 2.45 0.00 -0.82 -0.78 119.26 122.29 1j21 h ALA 281 Ca 0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1j21 h ALA 281 Cb 0.86 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1j21 h ALA 281 CO 0.07 0.66 -0.00 -0.09 0.00 0.00 0.00 179.25 179.89 1j21 h ARG 282 N 1.01 -0.01 -0.57 0.00 2.43 -0.95 -2.02 114.38 114.27 1j21 h ARG 282 Ca 0.20 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 1j21 h ARG 282 Cb 0.45 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1j21 h ARG 282 CO 0.01 0.19 0.17 0.00 -1.51 0.00 0.00 179.97 178.83 1j21 h ARG 283 N -0.21 0.86 -0.65 0.20 3.08 -1.36 0.17 114.38 116.47 1j21 h ARG 283 Ca -0.00 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 59.89 1j21 h ARG 283 Cb 0.20 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 1j21 h ARG 283 CO 0.00 0.75 0.43 0.00 -1.07 0.00 0.00 179.97 180.08 1j21 h ALA 284 N 1.35 0.82 -0.14 0.04 0.00 -1.00 0.11 119.26 120.42 1j21 h ALA 284 Ca 0.19 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1j21 h ALA 284 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1j21 h ALA 284 CO -0.01 0.24 -0.61 0.28 0.00 0.00 0.00 179.25 179.16 1j21 h VAL 285 N 0.87 1.34 -0.04 0.00 2.07 -0.85 -2.96 116.25 116.68 1j21 h VAL 285 Ca 0.24 -1.90 -0.03 0.00 0.82 0.00 0.00 66.70 65.82 1j21 h VAL 285 Cb -0.10 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1j21 h VAL 285 CO -0.05 0.58 -0.14 -0.33 0.02 0.00 0.00 177.57 177.65 1j21 h GLU 286 N 0.37 0.06 0.00 1.57 5.08 0.15 -2.09 114.58 119.72 1j21 h GLU 286 Ca -0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1j21 h GLU 286 Cb 1.16 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1j21 h GLU 286 CO 0.11 0.21 -0.01 0.66 -1.00 0.00 0.00 179.01 178.98 1j21 h SER 287 N 0.06 0.00 0.00 1.42 4.64 -0.64 -0.29 113.55 118.74 1j21 h SER 287 Ca 0.01 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.09 1j21 h SER 287 Cb 0.28 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.33 1j21 h SER 287 CO 0.02 0.01 -2.01 0.18 -0.87 0.00 0.00 176.83 174.16 1j21 n LEU 288 N -3.16 0.00 -0.00 5.97 4.77 -0.84 -4.71 117.00 119.02 1j21 n LEU 288 Ca -0.02 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.06 1j21 n LEU 288 Cb 0.14 0.33 -0.13 0.00 -2.33 0.00 0.00 43.42 41.43 1j21 n LEU 288 CO 0.23 0.33 -0.23 0.35 -1.33 0.00 0.00 177.39 176.74 1j21 n THR 289 N -2.50 0.00 -4.29 -5.08 -2.24 -0.86 -0.23 114.28 99.08 1j21 n THR 289 Ca -0.22 -0.13 -0.35 0.00 -2.27 0.00 0.00 64.05 61.08 1j21 n THR 289 Cb 0.93 0.74 -0.09 0.00 -2.10 0.00 0.00 70.33 69.81 1j21 n THR 289 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1j21 s LEU 290 N -3.39 3.72 0.51 3.22 1.43 -0.14 -4.86 118.68 119.17 1j21 s LEU 290 Ca 0.04 0.20 -0.21 0.00 -1.03 0.00 0.00 54.13 53.13 1j21 s LEU 290 Cb 0.15 -1.86 -0.06 0.00 0.03 0.00 0.00 46.19 44.45 1j21 s LEU 290 CO 0.88 0.38 1.19 -0.62 0.23 0.00 0.00 176.35 178.42 1j21 s ASP 291 N -0.91 5.80 0.10 2.29 -1.08 -1.26 -4.85 116.67 116.75 1j21 s ASP 291 Ca 0.14 2.36 -0.30 0.00 -0.52 0.00 0.00 52.55 54.23 1j21 s ASP 291 Cb -0.11 -2.60 -0.12 0.00 -1.46 0.00 0.00 42.92 38.62 1j21 s ASP 291 CO 0.03 -1.18 1.48 -0.09 0.52 0.00 0.00 175.17 175.93 1j21 h ARG 292 N 1.61 -0.56 -0.58 4.34 2.43 -1.98 -0.43 114.38 119.21 1j21 h ARG 292 Ca -0.50 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.69 1j21 h ARG 292 Cb 1.27 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.91 1j21 h ARG 292 CO 0.58 -0.37 0.29 0.93 -1.51 0.00 0.00 179.97 179.89 1j21 h GLU 293 N -0.58 0.81 -0.28 0.20 4.39 -1.99 -1.19 114.58 115.94 1j21 h GLU 293 Ca 0.01 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1j21 h GLU 293 Cb 0.63 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1j21 h GLU 293 CO -0.32 0.62 0.16 0.28 -1.16 0.00 0.00 179.01 178.59 1j21 h VAL 294 N 0.82 1.12 -0.24 3.13 2.07 -1.85 -2.26 116.25 119.04 1j21 h VAL 294 Ca 0.20 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1j21 h VAL 294 Cb 0.07 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1j21 h VAL 294 CO -0.03 0.12 0.15 0.25 0.02 0.00 0.00 177.57 178.09 1j21 h LEU 295 N 0.34 0.26 -1.26 2.57 5.85 -0.53 -1.45 115.31 121.10 1j21 h LEU 295 Ca 0.10 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1j21 h LEU 295 Cb 0.05 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1j21 h LEU 295 CO -0.02 0.19 0.51 0.45 -0.34 0.00 0.00 178.44 179.24 1j21 h HIS 296 N 0.31 0.93 -0.15 1.25 3.86 -1.07 -0.80 115.15 119.48 1j21 h HIS 296 Ca 0.09 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.15 1j21 h HIS 296 Cb -0.03 -0.31 0.01 0.00 1.06 0.00 0.00 27.41 28.13 1j21 h HIS 296 CO -0.06 0.55 -0.58 0.37 0.86 0.00 0.00 177.93 179.07 1j21 h GLN 297 N 0.97 0.67 -0.62 2.45 5.75 -1.21 -3.08 115.11 120.03 1j21 h GLN 297 Ca 0.30 -0.51 0.01 0.00 -0.15 0.00 0.00 58.65 58.30 1j21 h GLN 297 Cb 0.00 0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 1j21 h GLN 297 CO -0.08 1.13 0.41 -0.09 -2.65 0.00 0.00 178.83 177.55 1j21 h ARG 298 N 0.34 0.83 0.00 1.69 1.12 -0.80 -2.58 114.38 114.98 1j21 h ARG 298 Ca -0.03 -0.05 -0.05 0.00 -1.11 0.00 0.00 59.98 58.74 1j21 h ARG 298 Cb 1.21 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 30.98 1j21 h ARG 298 CO 0.12 0.55 -0.25 -0.44 -3.11 0.00 0.00 179.97 176.84 1j21 h ASP 299 N 0.85 0.00 1.45 -3.80 3.32 -1.19 -1.00 116.42 116.04 1j21 h ASP 299 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1j21 h ASP 299 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1j21 h ASP 299 CO -0.05 0.25 0.00 0.23 -1.72 0.00 0.00 179.24 177.95 1j21 n MET 300 N -4.02 0.25 -0.03 3.56 2.81 -0.99 -3.35 117.12 115.35 1j21 n MET 300 Ca -0.02 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 1j21 n MET 300 Cb 0.32 -1.80 -0.14 0.00 -0.71 0.00 0.00 33.22 30.89 1j21 n MET 300 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1j21 n LEU 301 N -2.25 0.23 -0.24 4.03 4.77 -0.84 -4.49 117.00 118.20 1j21 n LEU 301 Ca 0.05 0.10 0.03 0.00 -0.03 0.00 0.00 56.01 56.17 1j21 n LEU 301 Cb 0.42 0.21 0.13 0.00 -2.33 0.00 0.00 43.42 41.86 1j21 n LEU 301 CO 0.30 0.23 0.80 0.28 -1.33 0.00 0.00 177.39 177.67 1j21 h SER 302 N 0.00 -0.40 -1.01 -1.43 0.02 -1.21 -1.72 113.55 107.81 1j21 h SER 302 Ca -0.26 0.19 0.07 0.00 -0.84 0.00 0.00 61.79 60.95 1j21 h SER 302 Cb 1.64 0.35 -0.07 0.00 0.14 0.00 0.00 62.40 64.45 1j21 h SER 302 CO 0.02 -0.18 0.65 -0.65 -1.14 0.00 0.00 176.83 175.54 1j21 h PRO 303 N 0.08 1.13 -0.23 3.45 0.11 -1.79 -1.14 132.00 133.62 1j21 h PRO 303 Ca 0.38 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.39 1j21 h PRO 303 Cb 0.64 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1j21 h PRO 303 CO -0.65 0.75 0.01 -0.22 -0.21 0.00 0.00 178.00 177.68 1j21 h LYS 304 N 1.16 0.40 -0.86 1.05 1.63 -1.59 -1.65 116.57 116.70 1j21 h LYS 304 Ca 0.44 -0.12 0.06 0.00 -0.85 0.00 0.00 60.65 60.18 1j21 h LYS 304 Cb 0.20 -0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.73 1j21 h LYS 304 CO -0.18 0.57 0.54 -0.92 -3.45 0.00 0.00 179.45 176.00 1j21 h TYR 305 N 0.17 1.00 -0.03 1.91 3.20 -1.10 -1.53 116.97 120.60 1j21 h TYR 305 Ca 0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1j21 h TYR 305 Cb 0.38 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.32 1j21 h TYR 305 CO 0.03 0.52 0.02 0.00 -1.64 0.00 0.00 178.16 177.10 1j21 h ALA 306 N 1.40 0.04 0.00 1.82 0.00 -0.93 -1.61 119.26 119.97 1j21 h ALA 306 Ca 0.37 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 1j21 h ALA 306 Cb 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1j21 h ALA 306 CO -0.16 -0.45 -0.22 1.05 0.00 0.00 0.00 179.25 179.47 1j21 h GLU 307 N 0.03 0.00 0.00 0.00 4.11 -0.93 0.61 114.58 118.40 1j21 h GLU 307 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.44 1j21 h GLU 307 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1j21 h GLU 307 CO -0.00 0.22 -0.00 -0.07 0.07 0.00 0.00 179.01 179.23 1j21 h LEU 308 N 0.00 -0.00 -0.72 3.06 3.38 -0.73 0.17 115.31 120.47 1j21 h LEU 308 Ca -0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1j21 h LEU 308 Cb 0.40 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1j21 h LEU 308 CO 0.03 0.18 0.41 0.58 0.09 0.00 0.00 178.44 179.74 1j21 h VAL 309 N -0.19 1.21 -0.49 1.22 2.07 -0.77 0.10 116.25 119.41 1j21 h VAL 309 Ca -0.00 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 1j21 h VAL 309 Cb 0.19 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1j21 h VAL 309 CO 0.00 0.23 0.13 0.22 0.02 0.00 0.00 177.57 178.17 1j21 h TYR 310 N 0.99 0.82 0.00 1.57 3.20 -0.71 -2.90 116.97 119.94 1j21 h TYR 310 Ca 0.26 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 1j21 h TYR 310 Cb 0.00 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 1j21 h TYR 310 CO -0.01 0.73 -0.29 1.88 -1.64 0.00 0.00 178.16 178.83 1j21 h TYR 311 N 0.67 0.00 0.00 -3.82 0.05 -0.75 -3.47 116.97 109.65 1j21 h TYR 311 Ca 0.16 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.94 1j21 h TYR 311 Cb 0.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 1j21 h TYR 311 CO 0.02 0.29 0.00 0.41 -1.05 0.00 0.00 178.16 177.83 1j21 n GLY 312 N 0.01 1.28 2.53 3.88 0.00 -0.68 -4.25 105.19 107.97 1j21 n GLY 312 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1j21 n GLY 312 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1j21 n PHE 313 N -0.67 2.65 -0.06 1.61 3.01 0.27 -4.54 117.46 119.74 1j21 n PHE 313 Ca 0.00 -2.86 -0.02 0.00 1.01 0.00 0.00 57.45 55.58 1j21 n PHE 313 Cb 0.00 -1.96 -0.02 0.00 -0.01 0.00 0.00 39.48 37.49 1j21 n PHE 313 CO 0.00 0.00 0.00 2.35 1.01 0.00 0.00 176.76 180.12 1j21 h TRP 314 N 4.89 0.00 -1.01 1.38 2.91 -1.89 -3.36 115.95 118.87 1j21 h TRP 314 Ca 0.67 0.00 -0.74 0.00 1.13 0.00 0.00 58.89 59.95 1j21 h TRP 314 Cb 0.37 0.00 -0.11 0.00 -0.51 0.00 0.00 29.16 28.91 1j21 h TRP 314 CO 1.58 0.13 2.53 0.66 -1.03 0.00 0.00 178.44 182.31 1j21 n TYR 315 N -4.73 2.72 -4.35 2.65 4.02 -1.26 -4.57 117.16 111.63 1j21 n TYR 315 Ca -0.03 -2.86 -0.20 0.00 -0.01 0.00 0.00 57.90 54.81 1j21 n TYR 315 Cb 0.10 -1.99 -0.13 0.00 -0.02 0.00 0.00 39.34 37.29 1j21 n TYR 315 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1j21 s ALA 316 N -0.04 1.17 0.51 -0.72 0.00 -1.26 -4.86 121.76 116.56 1j21 s ALA 316 Ca 0.51 -0.83 0.18 0.00 0.00 0.00 0.00 51.96 51.82 1j21 s ALA 316 Cb 0.16 -0.18 1.29 0.00 0.00 0.00 0.00 23.12 24.39 1j21 s ALA 316 CO -0.06 0.22 2.13 -1.00 0.00 0.00 0.00 175.76 177.05 1j21 h PRO 317 N 4.92 0.00 -0.31 0.00 0.13 -1.92 -2.47 132.00 132.35 1j21 h PRO 317 Ca -0.38 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.64 1j21 h PRO 317 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1j21 h PRO 317 CO 0.44 0.05 -0.23 0.93 -0.23 0.00 0.00 178.00 178.95 1j21 h GLU 318 N 0.00 0.70 -0.33 0.86 3.07 -1.95 -1.55 114.58 115.38 1j21 h GLU 318 Ca -0.00 -0.34 -0.10 0.00 -0.50 0.00 0.00 59.36 58.42 1j21 h GLU 318 Cb 0.09 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1j21 h GLU 318 CO 0.01 0.95 -0.17 -0.09 -1.40 0.00 0.00 179.01 178.31 1j21 h ARG 319 N 0.46 0.70 0.00 2.33 1.12 -1.75 -1.59 114.38 115.66 1j21 h ARG 319 Ca 0.06 -0.31 -0.05 0.00 -1.11 0.00 0.00 59.98 58.57 1j21 h ARG 319 Cb 0.79 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.73 1j21 h ARG 319 CO 0.06 0.91 -0.24 0.93 -3.11 0.00 0.00 179.97 178.52 1j21 h GLU 320 N 0.47 0.00 -0.02 0.20 5.08 -1.44 0.12 114.58 118.98 1j21 h GLU 320 Ca 0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1j21 h GLU 320 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1j21 h GLU 320 CO 0.05 0.24 -0.08 0.00 -1.00 0.00 0.00 179.01 178.22 1j21 h ALA 321 N 1.76 0.04 -0.71 3.43 0.00 -1.02 -2.70 119.26 120.07 1j21 h ALA 321 Ca -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1j21 h ALA 321 Cb 0.55 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1j21 h ALA 321 CO 0.03 -0.08 0.40 -0.07 0.00 0.00 0.00 179.25 179.53 1j21 h LEU 322 N -0.50 0.86 -1.41 0.00 3.38 -1.05 -1.81 115.31 114.78 1j21 h LEU 322 Ca -0.00 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.00 1j21 h LEU 322 Cb 0.72 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 1j21 h LEU 322 CO 0.02 0.68 0.49 -0.61 0.09 0.00 0.00 178.44 179.11 1j21 h GLN 323 N 0.98 0.65 -0.64 1.13 5.75 -0.66 0.70 115.11 123.02 1j21 h GLN 323 Ca 0.25 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.68 1j21 h GLN 323 Cb 0.00 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 1j21 h GLN 323 CO -0.04 0.43 0.25 0.00 -2.65 0.00 0.00 178.83 176.82 1j21 h ALA 324 N 1.62 1.23 0.04 3.38 0.00 -0.99 0.62 119.26 125.17 1j21 h ALA 324 Ca 0.34 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1j21 h ALA 324 Cb 0.43 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1j21 h ALA 324 CO -0.12 0.56 -0.02 -0.92 0.00 0.00 0.00 179.25 178.75 1j21 h TYR 325 N 0.93 -0.06 -0.65 0.00 3.20 -0.89 -2.62 116.97 116.88 1j21 h TYR 325 Ca 0.22 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.10 1j21 h TYR 325 Cb 0.19 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 1j21 h TYR 325 CO 0.01 0.44 0.42 0.74 -1.64 0.00 0.00 178.16 178.13 1j21 h PHE 326 N -0.58 0.78 -0.62 -3.82 0.05 -0.96 -1.55 116.94 110.25 1j21 h PHE 326 Ca -0.01 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.78 1j21 h PHE 326 Cb 0.52 -0.26 -0.03 0.00 2.00 0.00 0.00 35.95 38.18 1j21 h PHE 326 CO 0.10 0.47 0.29 -0.44 -0.18 0.00 0.00 178.31 178.55 1j21 h ASP 327 N 0.83 0.81 -0.39 2.17 3.45 -0.95 0.15 116.42 122.49 1j21 h ASP 327 Ca 0.25 -0.13 0.03 0.00 0.43 0.00 0.00 57.03 57.61 1j21 h ASP 327 Cb -0.04 -0.21 -0.04 0.00 -0.56 0.00 0.00 39.33 38.49 1j21 h ASP 327 CO -0.08 0.72 0.17 -0.74 -1.57 0.00 0.00 179.24 177.74 1j21 h HIS 328 N 0.85 0.32 -0.33 4.55 2.76 -1.02 -0.76 115.15 121.52 1j21 h HIS 328 Ca 0.21 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.34 1j21 h HIS 328 Cb 0.13 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 1j21 h HIS 328 CO 0.00 0.16 -0.01 0.28 -1.30 0.00 0.00 177.93 177.05 1j21 h VAL 329 N 0.36 1.26 0.00 5.26 2.07 -1.04 -3.10 116.25 121.05 1j21 h VAL 329 Ca 0.17 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1j21 h VAL 329 Cb 0.10 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1j21 h VAL 329 CO -0.14 0.32 -0.01 0.00 0.02 0.00 0.00 177.57 177.77 1j21 h ALA 330 N 0.84 1.03 -0.06 1.67 0.00 -0.27 -2.89 119.26 119.59 1j21 h ALA 330 Ca 0.09 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1j21 h ALA 330 Cb 0.47 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1j21 h ALA 330 CO 0.02 0.01 0.06 -0.09 0.00 0.00 0.00 179.25 179.25 1j21 h ARG 331 N 0.00 0.00 -0.00 0.00 2.43 -1.07 -0.73 114.38 115.01 1j21 h ARG 331 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1j21 h ARG 331 Cb 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1j21 h ARG 331 CO 0.00 0.00 -0.21 0.43 -1.51 0.00 0.00 179.97 178.68 1j21 n SER 332 N -3.98 0.25 -4.58 -3.80 7.64 -1.09 -4.57 113.62 103.49 1j21 n SER 332 Ca -0.02 0.08 -0.38 0.00 1.01 0.00 0.00 58.87 59.57 1j21 n SER 332 Cb 0.15 -0.15 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1j21 n SER 332 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1j21 s VAL 333 N -2.94 3.91 -0.13 0.44 1.01 -0.35 -4.84 120.40 117.49 1j21 s VAL 333 Ca 0.14 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 60.66 1j21 s VAL 333 Cb 0.19 -4.96 0.02 0.00 0.00 0.00 0.00 36.38 31.62 1j21 s VAL 333 CO 0.59 -1.68 -0.13 -0.89 0.00 0.00 0.00 175.10 172.99 1j21 s THR 334 N 6.47 1.42 -4.50 3.92 2.01 -1.25 -2.10 115.64 121.60 1j21 s THR 334 Ca 0.58 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 62.03 1j21 s THR 334 Cb 0.02 -1.34 0.00 0.00 0.01 0.00 0.00 72.50 71.19 1j21 s THR 334 CO 0.08 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 175.05 1j21 n GLY 335 N 4.69 -0.68 3.03 4.40 0.00 -0.26 -4.17 105.19 112.19 1j21 n GLY 335 Ca -0.16 -1.09 -0.19 0.00 0.00 0.00 0.00 46.02 44.58 1j21 n GLY 335 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j21 s VAL 336 N -3.00 0.74 -0.03 1.61 1.01 0.12 -0.33 120.40 120.52 1j21 s VAL 336 Ca 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1j21 s VAL 336 Cb 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 1j21 s VAL 336 CO 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 175.10 175.20 1j21 s ALA 337 N -0.20 2.83 -0.18 5.51 0.00 -0.57 -0.86 121.76 128.30 1j21 s ALA 337 Ca 0.03 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.01 1j21 s ALA 337 Cb -0.04 -1.05 0.02 0.00 0.00 0.00 0.00 23.12 22.05 1j21 s ALA 337 CO -0.00 0.58 -0.20 0.50 0.00 0.00 0.00 175.76 176.63 1j21 s ARG 338 N -1.03 2.99 0.18 0.00 3.52 0.20 -1.33 118.95 123.47 1j21 s ARG 338 Ca 0.14 -0.83 0.10 0.00 -0.13 0.00 0.00 55.73 55.01 1j21 s ARG 338 Cb -0.11 -2.55 -0.04 0.00 -1.56 0.00 0.00 34.95 30.68 1j21 s ARG 338 CO 0.03 -0.19 -0.22 -0.51 -0.81 0.00 0.00 175.30 173.60 1j21 s LEU 339 N 1.23 2.42 -0.24 -0.88 1.02 0.46 -0.94 118.68 121.75 1j21 s LEU 339 Ca 0.04 -0.85 -0.00 0.00 0.02 0.00 0.00 54.13 53.34 1j21 s LEU 339 Cb -0.13 -1.05 0.04 0.00 0.02 0.00 0.00 46.19 45.07 1j21 s LEU 339 CO -0.12 0.07 -0.09 -0.75 0.02 0.00 0.00 176.35 175.48 1j21 s LYS 340 N -2.63 2.68 -0.19 1.70 2.20 0.35 -1.26 119.74 122.60 1j21 s LYS 340 Ca 0.18 -1.07 -0.16 0.00 -0.36 0.00 0.00 55.97 54.56 1j21 s LYS 340 Cb -0.07 -2.91 -0.04 0.00 -1.51 0.00 0.00 37.83 33.30 1j21 s LYS 340 CO 0.08 -0.43 0.40 -0.51 -0.36 0.00 0.00 175.35 174.54 1j21 s LEU 341 N 1.26 4.17 -0.25 5.43 1.43 0.21 -0.77 118.68 130.16 1j21 s LEU 341 Ca -0.02 0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 53.61 1j21 s LEU 341 Cb -0.17 -2.53 0.14 0.00 0.03 0.00 0.00 46.19 43.66 1j21 s LEU 341 CO -0.06 -0.07 0.39 -0.47 0.23 0.00 0.00 176.35 176.38 1j21 s TYR 342 N 1.23 -0.87 -0.61 0.29 5.04 -0.64 -1.64 117.35 120.14 1j21 s TYR 342 Ca 0.20 0.82 -0.20 0.00 -2.44 0.00 0.00 57.07 55.44 1j21 s TYR 342 Cb -0.15 0.02 0.03 0.00 0.35 0.00 0.00 41.96 42.22 1j21 s TYR 342 CO 0.08 -0.75 0.64 1.63 -1.34 0.00 0.00 175.55 175.81 1j21 n LYS 343 N 5.37 -1.79 0.00 4.97 5.02 -1.25 -2.37 118.16 128.10 1j21 n LYS 343 Ca -0.03 1.24 0.00 0.00 -2.02 0.00 0.00 58.31 57.50 1j21 n LYS 343 Cb 0.50 -2.71 0.00 0.00 -0.02 0.00 0.00 35.03 32.80 1j21 n LYS 343 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j21 n GLY 344 N -0.85 2.66 3.76 0.72 0.00 0.18 -4.92 105.19 106.74 1j21 n GLY 344 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1j21 n GLY 344 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j21 s ASN 345 N -2.28 5.46 -0.19 1.61 3.84 -1.00 -4.19 114.94 118.18 1j21 s ASN 345 Ca 0.00 -0.00 0.01 0.00 0.21 0.00 0.00 52.86 53.08 1j21 s ASN 345 Cb 0.00 -1.46 0.03 0.00 -0.55 0.00 0.00 41.25 39.27 1j21 s ASN 345 CO 0.00 0.20 -0.15 -0.69 -2.79 0.00 0.00 177.10 173.66 1j21 s VAL 346 N -1.32 1.89 -0.18 -5.21 1.01 -1.26 -1.63 120.40 113.70 1j21 s VAL 346 Ca 0.27 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 1j21 s VAL 346 Cb -0.12 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1j21 s VAL 346 CO 0.19 0.36 -0.13 -0.31 0.00 0.00 0.00 175.10 175.22 1j21 s TYR 347 N 1.32 2.84 0.02 5.22 1.51 0.05 -4.94 117.35 123.37 1j21 s TYR 347 Ca 0.02 -1.11 -0.30 0.00 -1.01 0.00 0.00 57.07 54.66 1j21 s TYR 347 Cb -0.15 -1.96 -0.05 0.00 -0.11 0.00 0.00 41.96 39.69 1j21 s TYR 347 CO -0.10 -0.55 1.19 0.08 -1.11 0.00 0.00 175.55 175.06 1j21 s VAL 348 N 1.10 4.14 0.00 0.71 1.01 -1.26 0.13 120.40 126.23 1j21 s VAL 348 Ca 0.00 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.50 1j21 s VAL 348 Cb -0.14 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1j21 s VAL 348 CO -0.04 0.08 0.08 1.33 0.00 0.00 0.00 175.10 176.55 1j21 n VAL 349 N 4.16 0.00 -3.60 2.92 0.24 -0.12 -4.89 118.33 117.04 1j21 n VAL 349 Ca 0.10 -0.47 -0.05 0.00 -2.04 0.00 0.00 64.34 61.87 1j21 n VAL 349 Cb 0.46 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.81 1j21 n VAL 349 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1j21 s GLY 350 N -0.79 -0.21 -0.09 7.63 0.00 -0.97 -5.00 107.32 107.90 1j21 s GLY 350 Ca 0.00 1.94 -0.24 0.00 0.00 0.00 0.00 44.72 46.42 1j21 s GLY 350 CO 0.00 0.75 0.56 1.09 0.00 0.00 0.00 173.10 175.50 1j21 s ARG 351 N -1.88 0.86 0.05 2.90 3.03 -1.26 0.58 118.95 123.23 1j21 s ARG 351 Ca 0.07 0.29 -0.08 0.00 2.03 0.00 0.00 55.73 58.04 1j21 s ARG 351 Cb -0.01 0.40 -0.00 0.00 -1.03 0.00 0.00 34.95 34.31 1j21 s ARG 351 CO -0.04 -0.23 0.16 -1.59 -1.13 0.00 0.00 175.30 172.47 1j21 s LYS 352 N -0.82 0.68 -0.19 3.89 -2.85 -0.04 -5.00 119.74 115.40 1j21 s LYS 352 Ca -0.09 -0.71 -0.18 0.00 -1.00 0.00 0.00 55.97 53.99 1j21 s LYS 352 Cb -0.02 0.28 0.05 0.00 -2.06 0.00 0.00 37.83 36.07 1j21 s LYS 352 CO 0.06 -0.19 0.52 0.00 0.10 0.00 0.00 175.35 175.84 1j21 s ALA 353 N -2.75 -1.29 0.31 0.59 0.00 -1.26 0.12 121.76 117.47 1j21 s ALA 353 Ca -0.04 1.46 0.06 0.00 0.00 0.00 0.00 51.96 53.45 1j21 s ALA 353 Cb -0.00 -0.84 0.74 0.00 0.00 0.00 0.00 23.12 23.01 1j21 s ALA 353 CO -0.05 -0.25 1.79 -1.35 0.00 0.00 0.00 175.76 175.90 1j21 h PRO 354 N 5.29 0.75 -1.09 0.00 0.11 -1.98 -2.17 132.00 132.91 1j21 h PRO 354 Ca -0.28 -0.05 -0.58 0.00 0.11 0.00 0.00 66.00 65.21 1j21 h PRO 354 Cb 1.17 -0.17 -0.41 0.00 0.11 0.00 0.00 31.00 31.71 1j21 h PRO 354 CO 0.18 0.50 -0.58 1.63 -0.21 0.00 0.00 178.00 179.51 1j21 n LYS 355 N -4.73 3.45 -1.70 1.05 5.02 -1.26 -5.05 118.16 114.93 1j21 n LYS 355 Ca 0.23 -4.20 -0.41 0.00 -2.02 0.00 0.00 58.31 51.91 1j21 n LYS 355 Cb 0.56 -2.27 0.01 0.00 -0.02 0.00 0.00 35.03 33.31 1j21 n LYS 355 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1j21 n SER 356 N -0.64 2.54 -1.00 4.39 2.88 -0.82 -4.73 113.62 116.24 1j21 n SER 356 Ca 0.44 1.11 0.11 0.00 -1.33 0.00 0.00 58.87 59.20 1j21 n SER 356 Cb 0.81 -1.50 0.27 0.00 -0.75 0.00 0.00 64.21 63.04 1j21 n SER 356 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1j21 n LEU 357 N 0.23 2.95 -4.51 2.46 4.77 0.68 -4.82 117.00 118.76 1j21 n LEU 357 Ca 0.07 -1.34 -0.43 0.00 -0.03 0.00 0.00 56.01 54.27 1j21 n LEU 357 Cb 0.39 -0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 1j21 n LEU 357 CO 0.59 0.67 0.37 -0.47 -1.33 0.00 0.00 177.39 177.22 1j21 s TYR 358 N -1.46 3.07 0.00 -1.77 5.04 -1.26 -5.10 117.35 115.86 1j21 s TYR 358 Ca 0.37 -0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.92 1j21 s TYR 358 Cb 0.21 -3.34 0.00 0.00 0.35 0.00 0.00 41.96 39.17 1j21 s TYR 358 CO 0.29 -0.87 0.00 0.54 -1.34 0.00 0.00 175.55 174.16 1j21 n ARG 359 N 6.24 0.00 0.00 4.97 1.74 -1.26 -5.16 116.66 123.19 1j21 n ARG 359 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1j21 n ARG 359 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 1j21 n ARG 359 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j21 n GLY 370 N 4.88 3.65 3.62 -0.13 0.00 -1.26 -5.30 105.19 110.65 1j21 n GLY 370 Ca 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 46.02 45.34 1j21 n GLY 370 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1j21 s TYR 371 N 0.00 -0.10 0.00 1.61 -0.85 -1.26 -5.17 117.35 111.57 1j21 s TYR 371 Ca 0.00 0.12 0.00 0.00 -0.52 0.00 0.00 57.07 56.67 1j21 s TYR 371 Cb 0.00 0.50 0.00 0.00 0.38 0.00 0.00 41.96 42.84 1j21 s TYR 371 CO 0.00 -0.13 0.00 -0.40 -1.52 0.00 0.00 175.55 173.50 1j21 n ASP 372 N 0.23 1.93 -0.08 -0.18 5.68 -1.26 -5.04 116.55 117.82 1j21 n ASP 372 Ca 0.00 -0.87 -0.10 0.00 -0.50 0.00 0.00 54.79 53.32 1j21 n ASP 372 Cb 0.58 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.53 1j21 n ASP 372 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1j21 h GLN 373 N 0.00 0.40 -0.38 0.11 1.08 -2.03 -3.01 115.11 111.28 1j21 h GLN 373 Ca 0.00 -0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.22 1j21 h GLN 373 Cb 0.00 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.29 1j21 h GLN 373 CO 0.00 0.36 0.00 -0.22 -0.95 0.00 0.00 178.83 178.03 1j21 h LYS 374 N 0.33 0.10 -0.73 1.46 1.63 -2.01 -2.72 116.57 114.64 1j21 h LYS 374 Ca 0.10 -0.01 0.15 0.00 -0.85 0.00 0.00 60.65 60.04 1j21 h LYS 374 Cb 0.09 -0.02 -0.13 0.00 -0.60 0.00 0.00 32.23 31.56 1j21 h LYS 374 CO -0.01 0.07 -0.12 -0.44 -3.45 0.00 0.00 179.45 175.49 1j21 h ASP 375 N 0.11 -0.57 -0.95 4.20 3.45 -1.93 0.81 116.42 121.53 1j21 h ASP 375 Ca 0.19 0.21 0.08 0.00 0.43 0.00 0.00 57.03 57.94 1j21 h ASP 375 Cb 0.26 0.41 -0.07 0.00 -0.56 0.00 0.00 39.33 39.37 1j21 h ASP 375 CO -0.31 -0.22 0.62 0.00 -1.57 0.00 0.00 179.24 177.76 1j21 h ALA 376 N 1.71 1.50 -0.80 3.45 0.00 -1.51 -0.61 119.26 123.01 1j21 h ALA 376 Ca 0.36 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 1j21 h ALA 376 Cb 0.59 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1j21 h ALA 376 CO -0.71 0.33 0.35 1.49 0.00 0.00 0.00 179.25 180.71 1j21 h GLU 377 N 1.05 1.17 -0.36 0.00 4.81 -0.80 -0.16 114.58 120.29 1j21 h GLU 377 Ca 0.43 -0.19 -0.16 0.00 -0.13 0.00 0.00 59.36 59.31 1j21 h GLU 377 Cb 0.28 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1j21 h GLU 377 CO -0.18 0.92 -0.40 0.78 -0.73 0.00 0.00 179.01 179.40 1j21 h GLY 378 N 1.17 0.97 0.79 1.92 0.00 -0.91 -0.89 103.07 106.11 1j21 h GLY 378 Ca 0.27 -1.00 0.02 0.00 0.00 0.00 0.00 47.33 46.62 1j21 h GLY 378 CO -0.03 0.90 -0.08 -2.75 0.00 0.00 0.00 176.54 174.58 1j21 h PHE 379 N 0.72 -0.20 -0.44 5.60 3.57 -0.85 -1.53 116.94 123.81 1j21 h PHE 379 Ca 0.06 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1j21 h PHE 379 Cb 0.99 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.78 1j21 h PHE 379 CO 0.06 -0.13 0.24 0.82 -2.23 0.00 0.00 178.31 177.07 1j21 h ILE 380 N -0.14 1.00 -0.25 1.41 2.04 -0.90 -1.49 117.51 119.18 1j21 h ILE 380 Ca 0.03 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.74 1j21 h ILE 380 Cb 0.18 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1j21 h ILE 380 CO -0.09 0.09 0.15 0.11 0.00 0.00 0.00 178.15 178.41 1j21 h LYS 381 N 0.48 0.30 -0.73 2.37 1.79 -0.83 -0.62 116.57 119.33 1j21 h LYS 381 Ca 0.19 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.60 1j21 h LYS 381 Cb 0.06 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 1j21 h LYS 381 CO -0.11 0.20 0.30 0.82 -1.08 0.00 0.00 179.45 179.58 1j21 h ILE 382 N 0.31 1.25 0.00 1.86 1.08 -1.11 -1.90 117.51 119.01 1j21 h ILE 382 Ca 0.10 -0.78 -0.08 0.00 -0.39 0.00 0.00 64.86 63.71 1j21 h ILE 382 Cb -0.02 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 1j21 h ILE 382 CO -0.04 0.31 -0.39 1.56 -0.69 0.00 0.00 178.15 178.91 1j21 h GLN 383 N 1.05 0.00 0.00 2.37 1.08 -1.06 -3.10 115.11 115.45 1j21 h GLN 383 Ca 0.24 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.37 1j21 h GLN 383 Cb 0.20 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 1j21 h GLN 383 CO -0.02 0.39 -0.70 0.00 -0.95 0.00 0.00 178.83 177.55 1j21 h ALA 384 N 1.61 0.71 -0.99 3.87 0.00 -0.76 -3.40 119.26 120.30 1j21 h ALA 384 Ca -0.00 -0.33 0.10 0.00 0.00 0.00 0.00 54.91 54.67 1j21 h ALA 384 Cb 0.73 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.43 1j21 h ALA 384 CO 0.05 0.41 -0.55 -0.11 0.00 0.00 0.00 179.25 179.04 1j21 n LEU 385 N -3.00 -0.98 0.24 0.00 7.94 -0.74 -1.08 117.00 119.37 1j21 n LEU 385 Ca -0.01 1.75 0.06 0.00 -1.11 0.00 0.00 56.01 56.71 1j21 n LEU 385 Cb 0.67 -0.25 0.56 0.00 0.53 0.00 0.00 43.42 44.92 1j21 n LEU 385 CO 0.39 -1.45 0.97 0.08 -1.11 0.00 0.00 177.39 176.27 1j21 h ARG 386 N 0.00 0.00 -0.13 1.96 0.11 -1.80 -1.64 114.38 112.88 1j21 h ARG 386 Ca 0.19 -0.00 -0.18 0.00 0.10 0.00 0.00 59.98 60.09 1j21 h ARG 386 Cb 0.43 -0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.51 1j21 h ARG 386 CO -0.94 0.11 -0.67 -0.07 0.10 0.00 0.00 179.97 178.51 1j21 h LEU 387 N 0.00 0.61 -0.30 0.08 3.38 -1.37 -1.94 115.31 115.78 1j21 h LEU 387 Ca -0.00 -0.37 -0.12 0.00 0.09 0.00 0.00 57.88 57.48 1j21 h LEU 387 Cb 0.20 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1j21 h LEU 387 CO 0.01 1.11 -0.30 0.03 0.09 0.00 0.00 178.44 179.38 1j21 h ARG 388 N 0.38 0.73 -0.74 1.13 3.08 -0.60 -0.99 114.38 117.37 1j21 h ARG 388 Ca -0.02 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 59.62 1j21 h ARG 388 Cb 1.24 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 1j21 h ARG 388 CO 0.12 1.00 0.37 0.28 -1.07 0.00 0.00 179.97 180.68 1j21 h VAL 389 N 0.48 1.23 0.48 2.04 2.07 -1.33 0.27 116.25 121.49 1j21 h VAL 389 Ca 0.05 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1j21 h VAL 389 Cb 0.87 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1j21 h VAL 389 CO 0.07 0.27 -0.26 -0.09 0.02 0.00 0.00 177.57 177.58 1j21 h ARG 390 N 1.04 -0.67 -0.52 1.57 2.43 -1.09 0.15 114.38 117.29 1j21 h ARG 390 Ca 0.26 0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.49 1j21 h ARG 390 Cb 0.08 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1j21 h ARG 390 CO -0.04 -0.45 0.32 0.00 -1.51 0.00 0.00 179.97 178.30 1j21 h ALA 391 N -0.19 0.67 -0.34 2.80 0.00 -0.76 -0.30 119.26 121.14 1j21 h ALA 391 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1j21 h ALA 391 Cb 0.55 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1j21 h ALA 391 CO 0.08 0.04 0.22 -0.07 0.00 0.00 0.00 179.25 179.53 1j21 h LEU 392 N 0.65 0.39 -1.05 0.00 3.38 -0.25 0.40 115.31 118.83 1j21 h LEU 392 Ca 0.21 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1j21 h LEU 392 Cb -0.01 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1j21 h LEU 392 CO -0.08 0.28 0.31 0.58 0.09 0.00 0.00 178.44 179.62 1j21 h VAL 393 N 0.46 1.23 0.00 1.22 2.07 -0.31 0.83 116.25 121.74 1j21 h VAL 393 Ca 0.12 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1j21 h VAL 393 Cb -0.05 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1j21 h VAL 393 CO -0.03 0.27 0.00 -0.62 0.02 0.00 0.00 177.57 177.22 1j21 n GLU 394 N -4.32 0.14 0.00 1.57 4.71 -0.16 -5.10 120.64 117.48 1j21 n GLU 394 Ca 0.06 0.38 0.00 0.00 -0.01 0.00 0.00 57.16 57.59 1j21 n GLU 394 Cb 0.15 -1.77 0.00 0.00 -1.01 0.00 0.00 31.44 28.81 1j21 n GLU 394 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11