#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jin s THR 3 N 0.00 3.61 -0.17 0.00 2.01 -1.26 -5.11 115.64 114.72 1jin s THR 3 Ca 0.00 -0.45 -0.03 0.00 0.31 0.00 0.00 61.69 61.52 1jin s THR 3 Cb 0.00 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 1jin s THR 3 CO 0.00 0.49 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.67 1jin s VAL 4 N 0.55 3.63 0.44 3.82 1.01 -1.26 -5.09 120.40 123.51 1jin s VAL 4 Ca -0.04 -0.44 -0.25 0.00 0.00 0.00 0.00 61.98 61.24 1jin s VAL 4 Cb -0.15 -2.60 -0.09 0.00 0.00 0.00 0.00 36.38 33.55 1jin s VAL 4 CO 0.03 0.48 1.43 -2.65 0.00 0.00 0.00 175.10 174.39 1jin n PRO 5 N 3.83 2.27 -3.67 2.72 -0.02 -1.26 -4.75 135.00 134.12 1jin n PRO 5 Ca -0.18 0.81 -0.39 0.00 -2.02 0.00 0.00 63.50 61.72 1jin n PRO 5 Cb 0.52 -2.62 -0.12 0.00 -0.02 0.00 0.00 33.50 31.26 1jin n PRO 5 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1jin s ASP 6 N -0.45 5.53 0.09 2.55 3.68 -1.26 -0.44 116.67 126.37 1jin s ASP 6 Ca 0.61 -1.05 0.07 0.00 2.13 0.00 0.00 52.55 54.30 1jin s ASP 6 Cb -0.45 -1.95 0.35 0.00 -1.45 0.00 0.00 42.92 39.42 1jin s ASP 6 CO 0.58 -0.35 1.21 0.18 0.13 0.00 0.00 175.17 176.91 1jin n LEU 7 N 4.91 0.16 0.18 -1.34 4.77 -0.12 -1.29 117.00 124.26 1jin n LEU 7 Ca -0.12 0.57 0.09 0.00 -0.03 0.00 0.00 56.01 56.52 1jin n LEU 7 Cb 0.45 -0.59 0.10 0.00 -2.33 0.00 0.00 43.42 41.06 1jin n LEU 7 CO 0.34 -0.61 0.59 -0.33 -1.33 0.00 0.00 177.39 176.05 1jin h GLU 8 N 0.00 0.00 -7.23 3.23 5.08 -1.93 -3.43 114.58 110.30 1jin h GLU 8 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 1jin h GLU 8 Cb 0.02 0.00 0.13 0.00 0.50 0.00 0.00 28.75 29.40 1jin h GLU 8 CO 0.00 0.15 0.34 -1.54 -1.00 0.00 0.00 179.01 176.96 1jin s SER 9 N -6.17 4.46 0.55 1.42 1.04 -0.41 -4.87 113.70 109.72 1jin s SER 9 Ca 0.05 2.06 0.33 0.00 0.48 0.00 0.00 55.95 58.87 1jin s SER 9 Cb 0.06 -2.55 1.82 0.00 0.10 0.00 0.00 66.02 65.45 1jin s SER 9 CO 0.71 -2.07 2.02 0.44 0.98 0.00 0.00 173.24 175.31 1jin h ASP 10 N -0.59 0.00 0.09 7.02 5.19 -1.91 0.06 116.42 126.29 1jin h ASP 10 Ca -0.46 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.95 1jin h ASP 10 Cb 1.26 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.77 1jin h ASP 10 CO 0.51 0.00 -0.04 0.28 -3.12 0.00 0.00 179.24 176.87 1jin h SER 11 N 0.00 0.00 -0.63 6.45 0.02 -1.90 0.70 113.55 118.20 1jin h SER 11 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jin h SER 11 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1jin h SER 11 CO 0.00 0.04 0.00 0.49 -1.14 0.00 0.00 176.83 176.22 1jin n PHE 12 N -3.85 1.46 -0.33 3.45 3.72 0.01 -4.13 117.46 117.78 1jin n PHE 12 Ca -0.03 -0.62 0.00 0.00 -0.05 0.00 0.00 57.45 56.75 1jin n PHE 12 Cb 0.12 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 1jin n PHE 12 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1jin n HIS 13 N 1.05 0.00 -3.96 1.38 8.25 -0.22 -4.83 115.22 116.90 1jin n HIS 13 Ca 0.25 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.41 1jin n HIS 13 Cb 0.89 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.84 1jin n HIS 13 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1jin s VAL 14 N 0.00 1.61 -1.44 1.59 1.01 0.23 -4.67 120.40 118.73 1jin s VAL 14 Ca 0.00 -1.27 -0.03 0.00 0.00 0.00 0.00 61.98 60.68 1jin s VAL 14 Cb 0.00 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.54 1jin s VAL 14 CO 0.00 -0.09 0.29 -0.67 0.00 0.00 0.00 175.10 174.63 1jin n ASP 15 N 4.64 -5.06 0.19 3.32 2.03 -1.26 -4.68 116.55 115.73 1jin n ASP 15 Ca -0.12 -0.12 0.18 0.00 0.52 0.00 0.00 54.79 55.25 1jin n ASP 15 Cb 0.44 -4.18 0.78 0.00 -0.72 0.00 0.00 41.12 37.44 1jin n ASP 15 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1jin h TRP 16 N -0.64 0.00 0.00 -0.67 0.09 -1.83 -0.45 115.95 112.45 1jin h TRP 16 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.54 1jin h TRP 16 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.55 1jin h TRP 16 CO 0.61 0.00 0.00 0.66 0.09 0.00 0.00 178.44 179.80 1jin n TYR 17 N -3.45 0.00 0.04 0.12 4.01 -1.26 -1.88 117.16 114.74 1jin n TYR 17 Ca 0.04 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.60 1jin n TYR 17 Cb 0.50 -0.26 -0.14 0.00 -0.31 0.00 0.00 39.34 39.13 1jin n TYR 17 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1jin h SER 18 N 0.00 0.36 -0.19 7.72 0.87 -1.43 -3.18 113.55 117.70 1jin h SER 18 Ca 0.00 -0.60 -0.06 0.00 -1.23 0.00 0.00 61.79 59.90 1jin h SER 18 Cb 0.21 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1jin h SER 18 CO 0.00 1.52 -0.10 0.74 -0.53 0.00 0.00 176.83 178.45 1jin h THR 19 N 0.06 1.31 -0.95 2.23 2.02 -1.55 -2.31 112.91 113.72 1jin h THR 19 Ca -0.30 -1.18 0.10 0.00 0.77 0.00 0.00 66.41 65.80 1jin h THR 19 Cb 2.03 1.68 -0.07 0.00 -1.74 0.00 0.00 68.15 70.05 1jin h THR 19 CO 0.14 0.35 0.61 1.88 0.37 0.00 0.00 175.52 178.87 1jin h TYR 20 N 0.09 1.07 -0.36 3.16 0.05 -1.50 0.01 116.97 119.49 1jin h TYR 20 Ca 0.04 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.71 1jin h TYR 20 Cb 0.60 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 1jin h TYR 20 CO 0.07 0.48 -0.33 0.00 -1.05 0.00 0.00 178.16 177.32 1jin h ALA 21 N 1.53 0.73 -0.52 3.88 0.00 -1.51 -1.03 119.26 122.33 1jin h ALA 21 Ca 0.45 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1jin h ALA 21 Cb 0.40 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1jin h ALA 21 CO -0.21 0.66 0.18 0.93 0.00 0.00 0.00 179.25 180.81 1jin h GLU 22 N 0.68 0.81 0.13 0.00 5.08 -0.57 -1.48 114.58 119.23 1jin h GLU 22 Ca 0.07 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1jin h GLU 22 Cb 0.88 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1jin h GLU 22 CO 0.08 0.74 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.70 1jin h LEU 23 N 0.72 -0.14 -1.08 1.33 3.38 -0.95 -2.76 115.31 115.80 1jin h LEU 23 Ca 0.17 -0.25 0.11 0.00 0.09 0.00 0.00 57.88 58.00 1jin h LEU 23 Cb 0.26 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 1jin h LEU 23 CO -0.01 0.18 0.62 -0.09 0.09 0.00 0.00 178.44 179.23 1jin h ARG 24 N -0.48 0.95 -0.06 1.13 2.43 -1.11 0.35 114.38 117.58 1jin h ARG 24 Ca -0.02 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 58.98 1jin h ARG 24 Cb 0.39 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1jin h ARG 24 CO 0.03 0.63 -0.48 1.05 -1.51 0.00 0.00 179.97 179.69 1jin h GLU 25 N 0.98 0.15 0.06 0.20 4.11 -1.27 -3.24 114.58 115.57 1jin h GLU 25 Ca 0.46 -0.08 -0.00 0.00 0.07 0.00 0.00 59.36 59.81 1jin h GLU 25 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1jin h GLU 25 CO -0.22 0.60 -0.03 1.15 0.07 0.00 0.00 179.01 180.58 1jin h THR 26 N 0.12 0.00 -2.27 -1.06 2.02 -0.75 -3.47 112.91 107.51 1jin h THR 26 Ca 0.01 -0.36 -0.14 0.00 0.77 0.00 0.00 66.41 66.68 1jin h THR 26 Cb 0.90 0.00 -0.29 0.00 -1.74 0.00 0.00 68.15 67.01 1jin h THR 26 CO 0.07 0.00 -0.45 0.00 0.37 0.00 0.00 175.52 175.51 1jin s ALA 27 N -3.02 -1.03 0.56 6.16 0.00 0.10 -5.03 121.76 119.51 1jin s ALA 27 Ca -0.01 1.12 0.29 0.00 0.00 0.00 0.00 51.96 53.36 1jin s ALA 27 Cb 0.00 -1.45 1.47 0.00 0.00 0.00 0.00 23.12 23.14 1jin s ALA 27 CO 0.04 -0.99 1.92 -1.35 0.00 0.00 0.00 175.76 175.37 1jin h PRO 28 N 8.20 0.00 -4.03 0.00 0.11 -1.72 -3.33 132.00 131.22 1jin h PRO 28 Ca -0.17 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.36 1jin h PRO 28 Cb 1.13 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.85 1jin h PRO 28 CO 0.20 0.00 -0.77 0.08 -0.21 0.00 0.00 178.00 177.29 1jin s VAL 29 N -4.79 1.17 0.12 3.15 1.01 -1.26 -0.77 120.40 119.04 1jin s VAL 29 Ca -0.05 -1.07 0.06 0.00 0.00 0.00 0.00 61.98 60.92 1jin s VAL 29 Cb 0.18 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1jin s VAL 29 CO 0.64 -0.21 -0.14 0.42 0.00 0.00 0.00 175.10 175.81 1jin s THR 30 N 1.55 1.35 0.19 3.92 -4.23 -0.76 -4.97 115.64 112.70 1jin s THR 30 Ca -0.02 -1.71 -0.27 0.00 -1.18 0.00 0.00 61.69 58.51 1jin s THR 30 Cb -0.18 -1.53 -0.08 0.00 1.34 0.00 0.00 72.50 72.05 1jin s THR 30 CO -0.09 -0.39 0.83 -2.16 -0.54 0.00 0.00 174.62 172.27 1jin s PRO 31 N -2.62 4.67 0.21 3.99 0.04 -1.26 -0.27 135.00 139.75 1jin s PRO 31 Ca 0.09 1.27 0.05 0.00 0.04 0.00 0.00 61.00 62.45 1jin s PRO 31 Cb -0.05 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.21 1jin s PRO 31 CO 0.03 0.55 0.16 1.33 0.04 0.00 0.00 177.00 179.12 1jin n VAL 32 N 1.54 0.00 -4.64 -0.36 0.24 0.67 -4.40 118.33 111.37 1jin n VAL 32 Ca -0.04 -1.49 -0.23 0.00 -2.04 0.00 0.00 64.34 60.55 1jin n VAL 32 Cb 0.48 0.72 -0.15 0.00 -1.47 0.00 0.00 33.84 33.42 1jin n VAL 32 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1jin s ARG 33 N -2.84 1.21 -0.19 7.34 0.52 0.41 -2.05 118.95 123.35 1jin s ARG 33 Ca 0.23 -0.49 -0.09 0.00 -0.52 0.00 0.00 55.73 54.86 1jin s ARG 33 Cb 0.01 -1.14 0.07 0.00 0.52 0.00 0.00 34.95 34.41 1jin s ARG 33 CO 0.16 0.27 0.43 0.12 0.02 0.00 0.00 175.30 176.31 1jin s PHE 34 N -0.21 -0.72 -1.46 -0.53 5.36 -0.38 -0.95 117.98 119.09 1jin s PHE 34 Ca 0.03 1.45 -0.07 0.00 -0.96 0.00 0.00 56.93 57.38 1jin s PHE 34 Cb -0.07 0.31 0.03 0.00 -0.34 0.00 0.00 43.02 42.95 1jin s PHE 34 CO -0.00 -0.42 0.65 1.28 -1.46 0.00 0.00 175.22 175.28 1jin n LEU 35 N 4.77 -2.40 -3.07 6.12 4.77 -1.26 -1.74 117.00 124.19 1jin n LEU 35 Ca -0.17 -0.38 -0.17 0.00 -0.03 0.00 0.00 56.01 55.27 1jin n LEU 35 Cb 0.53 -2.70 0.07 0.00 -2.33 0.00 0.00 43.42 38.99 1jin n LEU 35 CO 0.04 0.27 0.14 0.61 -1.33 0.00 0.00 177.39 177.12 1jin n GLY 36 N -1.48 -0.27 3.24 -0.72 0.00 -1.26 -5.02 105.19 99.68 1jin n GLY 36 Ca -0.06 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1jin n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jin s GLN 37 N -5.56 0.66 0.11 1.61 0.74 -0.71 -5.15 119.66 111.35 1jin s GLN 37 Ca 0.22 -0.15 -0.22 0.00 0.05 0.00 0.00 55.36 55.25 1jin s GLN 37 Cb -0.10 0.29 -0.07 0.00 1.10 0.00 0.00 33.01 34.24 1jin s GLN 37 CO 0.61 -0.18 0.67 -0.51 -0.55 0.00 0.00 175.29 175.34 1jin s ASP 38 N -1.25 7.22 0.27 6.67 1.01 -1.26 -1.24 116.67 128.08 1jin s ASP 38 Ca -0.13 1.44 -0.14 0.00 0.71 0.00 0.00 52.55 54.44 1jin s ASP 38 Cb -0.05 -2.43 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1jin s ASP 38 CO 0.04 0.23 0.54 0.00 0.21 0.00 0.00 175.17 176.19 1jin s ALA 39 N -1.03 -0.38 -0.22 5.23 0.00 -0.87 -4.53 121.76 119.96 1jin s ALA 39 Ca 0.33 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.47 1jin s ALA 39 Cb -0.21 1.02 0.02 0.00 0.00 0.00 0.00 23.12 23.95 1jin s ALA 39 CO 0.22 -0.89 -0.11 -1.58 0.00 0.00 0.00 175.76 173.40 1jin s TRP 40 N -3.85 2.98 -0.24 0.00 0.52 -0.28 -0.24 118.94 117.82 1jin s TRP 40 Ca 0.21 -1.59 -0.15 0.00 0.02 0.00 0.00 56.10 54.59 1jin s TRP 40 Cb -0.02 -2.00 -0.04 0.00 -1.15 0.00 0.00 33.47 30.26 1jin s TRP 40 CO 0.10 -0.75 0.38 -1.17 0.02 0.00 0.00 176.95 175.52 1jin s LEU 41 N 1.31 4.08 -0.42 2.99 2.96 0.63 -0.53 118.68 129.70 1jin s LEU 41 Ca 0.02 0.37 -0.13 0.00 -0.22 0.00 0.00 54.13 54.16 1jin s LEU 41 Cb -0.15 -2.45 0.04 0.00 0.50 0.00 0.00 46.19 44.13 1jin s LEU 41 CO -0.07 -0.14 0.29 -0.69 -1.32 0.00 0.00 176.35 174.42 1jin s VAL 42 N 1.77 4.91 -0.67 1.68 1.01 -0.67 -1.83 120.40 126.61 1jin s VAL 42 Ca 0.16 -0.93 0.20 0.00 0.00 0.00 0.00 61.98 61.41 1jin s VAL 42 Cb -0.15 -3.83 -0.24 0.00 0.00 0.00 0.00 36.38 32.16 1jin s VAL 42 CO 0.09 -0.39 0.72 0.35 0.00 0.00 0.00 175.10 175.87 1jin n THR 43 N 5.09 0.00 -3.24 3.92 -2.24 0.05 -1.36 114.28 116.50 1jin n THR 43 Ca -0.11 -0.16 -0.36 0.00 -2.27 0.00 0.00 64.05 61.15 1jin n THR 43 Cb 0.45 0.72 -0.06 0.00 -2.10 0.00 0.00 70.33 69.35 1jin n THR 43 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1jin s GLY 44 N -3.27 2.54 0.10 3.38 0.00 -1.21 -3.26 107.32 105.59 1jin s GLY 44 Ca 0.03 0.01 -0.30 0.00 0.00 0.00 0.00 44.72 44.46 1jin s GLY 44 CO 0.81 0.33 1.62 -1.82 0.00 0.00 0.00 173.10 174.05 1jin h TYR 45 N 3.59 -0.88 -0.19 1.90 5.03 -1.89 0.15 116.97 124.68 1jin h TYR 45 Ca -0.48 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 60.79 1jin h TYR 45 Cb 1.19 0.35 -0.01 0.00 1.55 0.00 0.00 36.73 39.81 1jin h TYR 45 CO 0.65 -0.46 -0.07 -0.44 -1.32 0.00 0.00 178.16 176.52 1jin h ASP 46 N -0.68 0.27 -0.29 -2.11 3.45 -1.95 -0.74 116.42 114.38 1jin h ASP 46 Ca -0.02 -0.05 -0.18 0.00 0.43 0.00 0.00 57.03 57.22 1jin h ASP 46 Cb 0.62 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 39.32 1jin h ASP 46 CO -0.07 0.38 -0.52 -0.33 -1.57 0.00 0.00 179.24 177.13 1jin h GLU 47 N 0.28 0.88 -0.12 3.56 3.07 -1.88 -0.63 114.58 119.74 1jin h GLU 47 Ca 0.06 -0.54 -0.02 0.00 -0.50 0.00 0.00 59.36 58.36 1jin h GLU 47 Cb 0.31 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1jin h GLU 47 CO 0.01 1.18 -0.01 0.00 -1.40 0.00 0.00 179.01 178.80 1jin h ALA 48 N 0.72 0.16 -0.77 3.43 0.00 -0.28 -0.62 119.26 121.90 1jin h ALA 48 Ca 0.02 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1jin h ALA 48 Cb 1.13 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1jin h ALA 48 CO 0.12 -0.14 0.51 0.87 0.00 0.00 0.00 179.25 180.61 1jin h LYS 49 N -0.07 1.02 -0.33 0.00 1.57 -1.14 -0.63 116.57 116.99 1jin h LYS 49 Ca 0.03 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1jin h LYS 49 Cb 0.38 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1jin h LYS 49 CO 0.01 0.68 0.18 0.00 -0.57 0.00 0.00 179.45 179.75 1jin h ALA 50 N 1.28 0.42 -0.14 3.86 0.00 -0.96 -2.21 119.26 121.51 1jin h ALA 50 Ca 0.28 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jin h ALA 50 Cb -0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1jin h ALA 50 CO -0.06 -0.05 0.07 0.00 0.00 0.00 0.00 179.25 179.21 1jin h ALA 51 N 1.05 0.18 0.00 0.00 0.00 -0.74 -1.66 119.26 118.09 1jin h ALA 51 Ca 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1jin h ALA 51 Cb 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1jin h ALA 51 CO -0.02 -0.28 -0.06 -0.07 0.00 0.00 0.00 179.25 178.83 1jin h LEU 52 N 0.12 0.00 0.00 0.00 3.38 -1.04 -1.59 115.31 116.18 1jin h LEU 52 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1jin h LEU 52 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1jin h LEU 52 CO -0.01 0.06 -0.69 0.28 0.09 0.00 0.00 178.44 178.17 1jin h SER 53 N 0.00 0.00 -3.66 -0.43 0.02 -1.14 -3.45 113.55 104.89 1jin h SER 53 Ca -0.00 -0.19 -0.60 0.00 -0.84 0.00 0.00 61.79 60.16 1jin h SER 53 Cb 0.12 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.55 1jin h SER 53 CO 0.01 0.09 0.59 -0.62 -1.14 0.00 0.00 176.83 175.76 1jin s ASP 54 N -4.40 6.50 0.00 3.07 3.68 -0.60 -4.91 116.67 120.01 1jin s ASP 54 Ca 0.05 0.12 0.19 0.00 2.13 0.00 0.00 52.55 55.05 1jin s ASP 54 Cb 0.13 -2.45 1.07 0.00 -1.45 0.00 0.00 42.92 40.22 1jin s ASP 54 CO 0.73 -1.06 1.58 0.18 0.13 0.00 0.00 175.17 176.74 1jin n LEU 55 N 7.18 0.00 0.20 -1.34 4.77 -1.26 -2.01 117.00 124.54 1jin n LEU 55 Ca 0.06 0.15 0.14 0.00 -0.03 0.00 0.00 56.01 56.33 1jin n LEU 55 Cb 0.48 -0.15 0.55 0.00 -2.33 0.00 0.00 43.42 41.97 1jin n LEU 55 CO 0.64 -0.06 0.92 0.03 -1.33 0.00 0.00 177.39 177.59 1jin h ARG 56 N 0.00 0.00 -4.70 3.23 3.08 -1.93 -3.37 114.38 110.69 1jin h ARG 56 Ca 0.00 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.34 1jin h ARG 56 Cb 0.09 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 29.94 1jin h ARG 56 CO 0.00 0.00 -0.08 -0.51 -1.07 0.00 0.00 179.97 178.31 1jin s LEU 57 N -5.37 5.25 0.49 3.04 1.43 -0.85 -1.83 118.68 120.84 1jin s LEU 57 Ca 0.04 -1.11 -0.17 0.00 -1.03 0.00 0.00 54.13 51.85 1jin s LEU 57 Cb 0.09 -2.34 -0.08 0.00 0.03 0.00 0.00 46.19 43.88 1jin s LEU 57 CO 0.50 -0.83 0.96 -0.55 0.23 0.00 0.00 176.35 176.66 1jin s SER 58 N 2.75 6.69 0.00 2.29 0.15 0.94 -4.70 113.70 121.82 1jin s SER 58 Ca 0.11 1.57 0.09 0.00 0.70 0.00 0.00 55.95 58.41 1jin s SER 58 Cb -0.22 -2.50 0.13 0.00 -1.71 0.00 0.00 66.02 61.72 1jin s SER 58 CO 0.09 -0.53 0.92 -1.20 1.20 0.00 0.00 173.24 173.73 1jin n SER 59 N -1.35 2.06 -4.50 5.45 7.64 -1.26 -0.18 113.62 121.47 1jin n SER 59 Ca 0.06 -1.57 -0.43 0.00 1.01 0.00 0.00 58.87 57.95 1jin n SER 59 Cb 0.54 -0.06 -0.08 0.00 -1.01 0.00 0.00 64.21 63.60 1jin n SER 59 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1jin s ASP 60 N -0.82 6.22 0.10 6.43 3.68 -1.26 -4.18 116.67 126.84 1jin s ASP 60 Ca 0.13 -0.53 0.27 0.00 2.13 0.00 0.00 52.55 54.55 1jin s ASP 60 Cb 0.08 -2.24 0.95 0.00 -1.45 0.00 0.00 42.92 40.26 1jin s ASP 60 CO 0.11 -0.59 1.79 -0.81 0.13 0.00 0.00 175.17 175.80 1jin n PRO 61 N 5.71 0.13 0.13 4.34 -0.04 -1.26 -3.68 135.00 140.33 1jin n PRO 61 Ca -0.06 0.09 0.01 0.00 -0.04 0.00 0.00 63.50 63.51 1jin n PRO 61 Cb 0.48 -1.64 0.01 0.00 -0.04 0.00 0.00 33.50 32.31 1jin n PRO 61 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1jin h LYS 62 N 0.00 0.00 -6.73 0.54 1.57 -1.88 -3.47 116.57 106.60 1jin h LYS 62 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1jin h LYS 62 Cb 0.62 0.00 0.07 0.00 0.08 0.00 0.00 32.23 33.00 1jin h LYS 62 CO 0.00 0.55 0.94 0.15 -0.57 0.00 0.00 179.45 180.53 1jin s LYS 63 N -2.94 4.13 -0.16 3.15 1.02 -1.24 -5.00 119.74 118.70 1jin s LYS 63 Ca 0.04 2.58 -0.06 0.00 0.02 0.00 0.00 55.97 58.55 1jin s LYS 63 Cb 0.08 -3.05 -0.04 0.00 -0.52 0.00 0.00 37.83 34.30 1jin s LYS 63 CO 0.75 -0.68 0.04 0.15 -0.92 0.00 0.00 175.35 174.69 1jin s LYS 64 N 0.30 3.74 -0.06 1.68 -0.14 -1.26 -5.02 119.74 118.97 1jin s LYS 64 Ca 0.69 -0.37 0.03 0.00 -1.36 0.00 0.00 55.97 54.96 1jin s LYS 64 Cb -0.48 -3.09 -0.02 0.00 -1.68 0.00 0.00 37.83 32.55 1jin s LYS 64 CO 0.40 0.37 -0.15 0.71 -0.76 0.00 0.00 175.35 175.92 1jin s TYR 65 N 0.07 2.69 -0.34 3.18 1.51 -1.26 -5.05 117.35 118.15 1jin s TYR 65 Ca 0.04 -0.27 -0.34 0.00 -1.01 0.00 0.00 57.07 55.49 1jin s TYR 65 Cb -0.12 -1.65 -0.10 0.00 -0.11 0.00 0.00 41.96 39.97 1jin s TYR 65 CO 0.01 0.10 2.21 -0.35 -1.11 0.00 0.00 175.55 176.41 1jin n PRO 66 N 2.53 1.21 -0.25 -1.71 -0.04 -1.26 -0.94 135.00 134.54 1jin n PRO 66 Ca -0.17 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1jin n PRO 66 Cb 0.52 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1jin n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jin n GLY 67 N 6.41 1.19 3.74 0.55 0.00 -1.26 -5.04 105.19 110.77 1jin n GLY 67 Ca 0.40 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.06 1jin n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jin s VAL 68 N -2.77 4.69 -0.29 1.61 1.01 -0.11 -5.06 120.40 119.48 1jin s VAL 68 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 1jin s VAL 68 Cb 0.00 -3.01 0.11 0.00 0.00 0.00 0.00 36.38 33.48 1jin s VAL 68 CO 0.00 0.60 0.16 -0.70 0.00 0.00 0.00 175.10 175.16 1jin s GLU 69 N -0.82 0.21 -0.06 2.72 2.12 -1.26 -4.35 118.70 117.26 1jin s GLU 69 Ca 0.13 -0.44 0.06 0.00 0.36 0.00 0.00 54.97 55.07 1jin s GLU 69 Cb -0.12 -1.08 -0.01 0.00 0.26 0.00 0.00 34.13 33.18 1jin s GLU 69 CO 0.03 -1.01 -0.23 0.54 -0.54 0.00 0.00 175.26 174.04 1jin s VAL 70 N 2.15 2.22 -0.28 3.70 0.11 -1.26 -5.10 120.40 121.94 1jin s VAL 70 Ca 0.09 -1.01 -0.01 0.00 -2.93 0.00 0.00 61.98 58.12 1jin s VAL 70 Cb -0.16 -1.82 0.04 0.00 -1.53 0.00 0.00 36.38 32.92 1jin s VAL 70 CO -0.35 0.57 -0.03 -0.70 -3.33 0.00 0.00 175.10 171.25 1jin s GLU 71 N -0.21 2.54 0.30 1.54 2.12 -1.26 -5.09 118.70 118.63 1jin s GLU 71 Ca -0.02 -1.18 -0.28 0.00 0.36 0.00 0.00 54.97 53.85 1jin s GLU 71 Cb -0.13 -3.08 -0.09 0.00 0.26 0.00 0.00 34.13 31.08 1jin s GLU 71 CO 0.03 -0.54 0.98 -0.06 -0.54 0.00 0.00 175.26 175.13 1jin s PHE 72 N 1.26 3.73 0.30 5.30 0.40 -1.26 -4.98 117.98 122.73 1jin s PHE 72 Ca -0.04 1.80 0.06 0.00 -0.60 0.00 0.00 56.93 58.15 1jin s PHE 72 Cb -0.19 -3.03 0.81 0.00 0.51 0.00 0.00 43.02 41.13 1jin s PHE 72 CO -0.03 0.08 1.68 -1.00 0.70 0.00 0.00 175.22 176.65 1jin h PRO 73 N 3.54 0.36 0.00 0.24 0.13 -1.99 -1.50 132.00 132.78 1jin h PRO 73 Ca -0.46 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1jin h PRO 73 Cb 1.20 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1jin h PRO 73 CO 0.66 0.24 -0.00 0.00 -0.23 0.00 0.00 178.00 178.67 1jin h ALA 74 N 1.75 1.05 -0.62 -0.56 0.00 -1.98 -1.27 119.26 117.62 1jin h ALA 74 Ca 0.60 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 55.20 1jin h ALA 74 Cb 1.21 -0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.81 1jin h ALA 74 CO -0.56 0.00 0.23 0.66 0.00 0.00 0.00 179.25 179.58 1jin n TYR 75 N -3.15 1.94 -1.67 0.00 4.02 -0.56 -4.99 117.16 112.73 1jin n TYR 75 Ca -0.03 -1.64 -0.43 0.00 -0.01 0.00 0.00 57.90 55.79 1jin n TYR 75 Cb 0.08 -0.67 -0.03 0.00 -0.02 0.00 0.00 39.34 38.69 1jin n TYR 75 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1jin n LEU 76 N -1.04 4.04 0.00 7.72 0.00 -0.48 -2.03 117.00 125.20 1jin n LEU 76 Ca 0.44 0.93 0.00 0.00 0.00 0.00 0.00 56.01 57.38 1jin n LEU 76 Cb 1.30 -1.51 0.00 0.00 0.00 0.00 0.00 43.42 43.21 1jin n LEU 76 CO 0.37 0.16 0.00 0.61 0.00 0.00 0.00 177.39 178.53 1jin n GLY 77 N 4.44 0.76 3.69 -3.96 0.00 -1.26 -4.48 105.19 104.37 1jin n GLY 77 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1jin n GLY 77 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jin s PHE 78 N -3.09 3.48 0.64 1.61 0.40 -0.86 -3.87 117.98 116.28 1jin s PHE 78 Ca 0.00 1.22 -0.17 0.00 -0.60 0.00 0.00 56.93 57.37 1jin s PHE 78 Cb 0.00 -2.91 -0.01 0.00 0.51 0.00 0.00 43.02 40.61 1jin s PHE 78 CO 0.00 -0.10 1.21 -2.14 0.70 0.00 0.00 175.22 174.89 1jin s PRO 79 N 1.58 2.70 0.30 0.24 0.02 -1.26 -4.73 135.00 133.85 1jin s PRO 79 Ca 0.37 1.80 0.04 0.00 0.02 0.00 0.00 61.00 63.23 1jin s PRO 79 Cb -0.17 -1.90 0.66 0.00 0.02 0.00 0.00 34.50 33.11 1jin s PRO 79 CO 0.15 -1.41 1.82 1.49 -0.33 0.00 0.00 177.00 178.72 1jin h GLU 80 N 0.48 0.85 -0.61 5.54 4.81 -1.99 -0.66 114.58 123.00 1jin h GLU 80 Ca -0.49 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 58.60 1jin h GLU 80 Cb 1.30 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1jin h GLU 80 CO 0.53 0.56 0.05 0.38 -0.73 0.00 0.00 179.01 179.80 1jin h ASP 81 N 0.87 1.00 0.73 1.04 2.03 -2.00 -1.39 116.42 118.70 1jin h ASP 81 Ca 0.52 -0.26 -0.16 0.00 -0.73 0.00 0.00 57.03 56.40 1jin h ASP 81 Cb 0.67 -0.27 -0.02 0.00 -0.83 0.00 0.00 39.33 38.88 1jin h ASP 81 CO -0.29 1.03 -0.76 -0.37 -1.03 0.00 0.00 179.24 177.81 1jin h VAL 82 N 0.96 1.53 -0.09 4.15 -1.51 -1.75 -2.79 116.25 116.75 1jin h VAL 82 Ca 0.18 -2.57 0.02 0.00 -1.23 0.00 0.00 66.70 63.10 1jin h VAL 82 Cb 0.49 2.39 -0.02 0.00 -2.13 0.00 0.00 31.29 32.01 1jin h VAL 82 CO 0.02 0.74 -0.04 -0.09 -1.23 0.00 0.00 177.57 176.96 1jin h ARG 83 N 0.02 -0.04 -0.76 5.19 2.43 -0.81 -0.69 114.38 119.72 1jin h ARG 83 Ca -0.01 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.27 1jin h ARG 83 Cb 1.34 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.85 1jin h ARG 83 CO 0.10 -0.02 0.50 -0.91 -1.51 0.00 0.00 179.97 178.13 1jin h ASN 84 N -0.04 0.58 0.77 -3.80 -0.26 -1.11 0.20 115.58 111.92 1jin h ASN 84 Ca 0.05 0.02 -0.08 0.00 -0.56 0.00 0.00 56.30 55.73 1jin h ASN 84 Cb 0.11 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 1jin h ASN 84 CO -0.11 0.33 -0.37 1.88 -1.06 0.00 0.00 177.43 178.10 1jin h TYR 85 N 0.63 0.00 0.00 1.19 0.05 -0.96 -2.42 116.97 115.47 1jin h TYR 85 Ca 0.36 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.14 1jin h TYR 85 Cb 0.54 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.28 1jin h TYR 85 CO -0.00 0.37 -0.55 1.19 -1.05 0.00 0.00 178.16 178.12 1jin n PHE 86 N -3.59 0.45 -2.17 4.88 3.72 0.44 -4.20 117.46 116.99 1jin n PHE 86 Ca -0.00 0.13 -0.16 0.00 -0.05 0.00 0.00 57.45 57.36 1jin n PHE 86 Cb 0.49 -0.59 0.04 0.00 -0.94 0.00 0.00 39.48 38.48 1jin n PHE 86 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jin n ALA 87 N -1.76 4.36 -2.95 4.37 0.00 0.35 -4.77 120.51 120.12 1jin n ALA 87 Ca 0.04 -3.51 -0.22 0.00 0.00 0.00 0.00 53.44 49.75 1jin n ALA 87 Cb 0.42 -0.45 -0.02 0.00 0.00 0.00 0.00 19.45 19.40 1jin n ALA 87 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1jin n THR 88 N -0.69 1.54 -4.15 0.00 -1.04 -1.12 -4.84 114.28 103.98 1jin n THR 88 Ca 0.34 -4.86 -0.16 0.00 -2.04 0.00 0.00 64.05 57.33 1jin n THR 88 Cb 0.92 -0.73 -0.06 0.00 -1.82 0.00 0.00 70.33 68.65 1jin n THR 88 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1jin s ASN 89 N -3.05 1.12 0.12 8.00 4.22 -1.26 -4.31 114.94 119.78 1jin s ASN 89 Ca 0.43 -1.56 -0.28 0.00 -2.14 0.00 0.00 52.86 49.31 1jin s ASN 89 Cb 0.34 0.62 -0.09 0.00 1.28 0.00 0.00 41.25 43.40 1jin s ASN 89 CO -0.10 -1.21 1.47 0.24 -2.04 0.00 0.00 177.10 175.46 1jin h MET 90 N 2.14 -0.25 0.00 3.55 2.86 -1.92 -2.04 114.93 119.27 1jin h MET 90 Ca -0.27 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1jin h MET 90 Cb 1.24 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.95 1jin h MET 90 CO 0.38 -0.16 0.00 0.41 1.06 0.00 0.00 176.91 178.60 1jin n GLY 91 N -1.30 -0.77 0.80 8.32 0.00 -1.26 -1.98 105.19 109.01 1jin n GLY 91 Ca -0.02 0.13 0.02 0.00 0.00 0.00 0.00 46.02 46.16 1jin n GLY 91 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jin n THR 92 N -2.01 2.32 -4.18 2.61 -2.24 -0.77 -4.78 114.28 105.22 1jin n THR 92 Ca -0.01 -2.72 -0.13 0.00 -2.27 0.00 0.00 64.05 58.92 1jin n THR 92 Cb 0.03 -0.28 -0.11 0.00 -2.10 0.00 0.00 70.33 67.88 1jin n THR 92 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1jin s SER 93 N -2.72 1.40 0.29 3.42 0.01 -0.84 -4.23 113.70 111.03 1jin s SER 93 Ca 0.41 -0.87 0.11 0.00 1.31 0.00 0.00 55.95 56.90 1jin s SER 93 Cb 0.37 0.03 -0.05 0.00 0.21 0.00 0.00 66.02 66.57 1jin s SER 93 CO -0.01 -0.32 -0.13 -1.81 0.41 0.00 0.00 173.24 171.39 1jin s ASP 94 N -2.64 3.83 0.65 2.44 1.01 -1.26 -4.65 116.67 116.05 1jin s ASP 94 Ca 0.08 -0.98 -0.18 0.00 0.71 0.00 0.00 52.55 52.19 1jin s ASP 94 Cb -0.01 -0.43 -0.01 0.00 1.01 0.00 0.00 42.92 43.49 1jin s ASP 94 CO -0.01 -0.02 1.25 -2.84 0.21 0.00 0.00 175.17 173.76 1jin s PRO 95 N -3.57 2.58 0.00 8.23 0.02 -1.26 -1.38 135.00 139.62 1jin s PRO 95 Ca 0.31 1.92 0.28 0.00 0.02 0.00 0.00 61.00 63.53 1jin s PRO 95 Cb -0.04 -1.87 1.08 0.00 0.02 0.00 0.00 34.50 33.70 1jin s PRO 95 CO 0.16 -1.54 1.77 -0.35 -0.33 0.00 0.00 177.00 176.72 1jin n PRO 96 N -2.01 0.71 -0.20 5.54 -0.04 -1.26 -4.81 135.00 132.93 1jin n PRO 96 Ca 0.15 -0.30 -0.09 0.00 -0.04 0.00 0.00 63.50 63.22 1jin n PRO 96 Cb 0.49 -1.49 0.02 0.00 -0.04 0.00 0.00 33.50 32.48 1jin n PRO 96 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1jin h THR 97 N 0.73 1.26 -0.93 0.52 2.02 -1.82 -2.75 112.91 111.94 1jin h THR 97 Ca 0.00 -1.04 0.01 0.00 0.77 0.00 0.00 66.41 66.15 1jin h THR 97 Cb 0.40 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 67.59 1jin h THR 97 CO 0.00 0.38 0.61 -0.74 0.37 0.00 0.00 175.52 176.14 1jin h HIS 98 N 0.86 1.16 -0.11 3.16 -0.00 -1.49 -2.41 115.15 116.32 1jin h HIS 98 Ca 0.17 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.60 1jin h HIS 98 Cb 0.47 -0.39 -0.04 0.00 -0.00 0.00 0.00 27.41 27.45 1jin h HIS 98 CO 0.03 0.72 -0.11 1.15 -0.00 0.00 0.00 177.93 179.72 1jin h THR 99 N 1.24 0.69 -0.05 6.26 2.02 -1.75 -1.39 112.91 119.94 1jin h THR 99 Ca 0.34 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 67.33 1jin h THR 99 Cb -0.12 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1jin h THR 99 CO -0.08 0.00 -0.80 0.08 0.37 0.00 0.00 175.52 175.09 1jin h ARG 100 N -0.13 0.40 -0.29 6.66 0.11 -1.44 -1.79 114.38 117.90 1jin h ARG 100 Ca 0.08 -0.37 -0.01 0.00 0.10 0.00 0.00 59.98 59.78 1jin h ARG 100 Cb 0.25 0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.40 1jin h ARG 100 CO -0.19 1.02 0.13 -0.07 0.10 0.00 0.00 179.97 180.96 1jin h LEU 101 N 0.26 0.38 -0.89 0.08 3.38 -1.38 -0.87 115.31 116.27 1jin h LEU 101 Ca -0.05 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 1jin h LEU 101 Cb 1.40 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1jin h LEU 101 CO 0.14 0.41 -0.24 -0.09 0.09 0.00 0.00 178.44 178.75 1jin h ARG 102 N 0.33 0.54 -0.03 1.13 2.43 -1.27 -2.34 114.38 115.18 1jin h ARG 102 Ca 0.10 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1jin h ARG 102 Cb 0.13 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1jin h ARG 102 CO -0.01 0.74 0.00 -0.22 -1.51 0.00 0.00 179.97 178.98 1jin h LYS 103 N 0.48 0.05 -0.68 0.20 3.64 -1.06 -1.30 116.57 117.91 1jin h LYS 103 Ca 0.07 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1jin h LYS 103 Cb 0.67 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 1jin h LYS 103 CO 0.05 0.31 0.34 -0.07 -2.27 0.00 0.00 179.45 177.81 1jin h LEU 104 N -0.21 0.87 -0.69 5.20 3.38 -1.14 -2.85 115.31 119.87 1jin h LEU 104 Ca 0.01 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.72 1jin h LEU 104 Cb 0.29 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1jin h LEU 104 CO 0.00 0.74 -0.51 0.58 0.09 0.00 0.00 178.44 179.35 1jin h VAL 105 N 0.94 1.34 0.00 1.22 2.07 -1.42 -3.00 116.25 117.40 1jin h VAL 105 Ca 0.23 -1.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 1jin h VAL 105 Cb 0.09 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1jin h VAL 105 CO -0.03 0.53 -0.03 0.28 0.02 0.00 0.00 177.57 178.33 1jin h SER 106 N 0.30 0.00 0.48 0.57 0.02 -1.01 0.14 113.55 114.05 1jin h SER 106 Ca 0.01 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 1jin h SER 106 Cb 1.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 1jin h SER 106 CO 0.09 0.03 -0.33 1.56 -1.14 0.00 0.00 176.83 177.04 1jin h GLN 107 N 0.00 0.00 0.00 3.45 4.20 -1.36 -3.35 115.11 118.05 1jin h GLN 107 Ca -0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 1jin h GLN 107 Cb 0.34 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 1jin h GLN 107 CO 0.00 0.33 -1.66 0.39 -0.67 0.00 0.00 178.83 177.22 1jin n GLU 108 N -3.88 0.29 -2.22 1.46 -0.58 -0.93 -4.75 120.64 110.04 1jin n GLU 108 Ca -0.01 0.07 -0.43 0.00 -0.42 0.00 0.00 57.16 56.37 1jin n GLU 108 Cb 0.40 -1.21 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 1jin n GLU 108 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1jin n PHE 109 N -2.88 4.16 -3.57 -0.32 7.35 0.44 -4.79 117.46 117.85 1jin n PHE 109 Ca -0.21 -2.91 -0.20 0.00 -0.76 0.00 0.00 57.45 53.37 1jin n PHE 109 Cb 0.72 -2.58 -0.02 0.00 0.35 0.00 0.00 39.48 37.94 1jin n PHE 109 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1jin s THR 110 N 3.65 3.18 0.33 -2.13 -4.23 -1.26 -4.64 115.64 110.53 1jin s THR 110 Ca 0.50 -1.27 0.06 0.00 -1.18 0.00 0.00 61.69 59.80 1jin s THR 110 Cb 0.08 -3.11 0.10 0.00 1.34 0.00 0.00 72.50 70.92 1jin s THR 110 CO 0.00 -0.08 1.80 0.58 -0.54 0.00 0.00 174.62 176.38 1jin h VAL 111 N 1.04 1.24 -0.32 2.29 2.07 -1.91 -2.31 116.25 118.35 1jin h VAL 111 Ca -0.43 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 1jin h VAL 111 Cb 1.26 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1jin h VAL 111 CO 0.56 0.34 0.18 -0.09 0.02 0.00 0.00 177.57 178.57 1jin h ARG 112 N 0.33 0.45 -0.66 1.57 2.43 -1.95 0.15 114.38 116.70 1jin h ARG 112 Ca 0.06 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1jin h ARG 112 Cb 0.55 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 1jin h ARG 112 CO 0.04 0.38 0.19 -0.09 -1.51 0.00 0.00 179.97 178.97 1jin h ARG 113 N 0.40 1.03 -0.06 0.20 2.43 -1.80 0.09 114.38 116.67 1jin h ARG 113 Ca 0.11 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1jin h ARG 113 Cb 0.06 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1jin h ARG 113 CO -0.02 0.89 -0.02 0.28 -1.51 0.00 0.00 179.97 179.60 1jin h VAL 114 N 0.99 1.30 -0.40 0.20 2.07 -1.18 -3.13 116.25 116.11 1jin h VAL 114 Ca 0.21 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 1jin h VAL 114 Cb 0.31 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1jin h VAL 114 CO -0.00 0.26 0.12 -0.08 0.02 0.00 0.00 177.57 177.89 1jin h GLU 115 N -0.24 0.57 0.00 1.57 4.57 -0.54 -1.62 114.58 118.88 1jin h GLU 115 Ca 0.01 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1jin h GLU 115 Cb 0.42 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1jin h GLU 115 CO 0.01 0.50 0.00 0.00 -1.18 0.00 0.00 179.01 178.34 1jin h ALA 116 N 1.58 1.00 -0.17 2.92 0.00 -0.93 -2.08 119.26 121.58 1jin h ALA 116 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1jin h ALA 116 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1jin h ALA 116 CO -0.01 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.91 1jin n MET 117 N -2.50 2.16 -0.14 0.00 2.81 -0.61 -4.53 117.12 114.32 1jin n MET 117 Ca 0.00 -1.72 -0.05 0.00 -1.81 0.00 0.00 57.70 54.12 1jin n MET 117 Cb 0.16 -1.47 0.04 0.00 -0.71 0.00 0.00 33.22 31.24 1jin n MET 117 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1jin h ARG 118 N 3.75 0.32 -0.89 0.03 2.43 -1.44 0.46 114.38 119.04 1jin h ARG 118 Ca 0.00 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1jin h ARG 118 Cb 0.81 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.24 1jin h ARG 118 CO 0.00 0.21 0.59 -1.35 -1.51 0.00 0.00 179.97 177.92 1jin h PRO 119 N 0.33 1.17 -0.32 0.20 0.11 -1.82 0.70 132.00 132.37 1jin h PRO 119 Ca 0.20 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 66.14 1jin h PRO 119 Cb 0.19 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 1jin h PRO 119 CO -0.20 0.78 -0.21 -0.09 -0.21 0.00 0.00 178.00 178.06 1jin h ARG 120 N 1.21 0.72 -0.78 1.05 1.12 -1.71 0.11 114.38 116.10 1jin h ARG 120 Ca 0.33 -0.34 -0.01 0.00 -1.11 0.00 0.00 59.98 58.85 1jin h ARG 120 Cb -0.14 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 29.78 1jin h ARG 120 CO -0.07 0.95 0.44 0.28 -3.11 0.00 0.00 179.97 178.46 1jin h VAL 121 N 0.49 1.23 -0.49 0.20 2.07 -0.37 0.20 116.25 119.57 1jin h VAL 121 Ca 0.07 -0.55 -0.12 0.00 0.82 0.00 0.00 66.70 66.91 1jin h VAL 121 Cb 0.77 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1jin h VAL 121 CO 0.06 0.25 -0.18 -0.33 0.02 0.00 0.00 177.57 177.39 1jin h GLU 122 N 1.08 0.98 -0.15 1.57 5.08 -0.73 -1.60 114.58 120.81 1jin h GLU 122 Ca 0.28 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1jin h GLU 122 Cb 0.01 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1jin h GLU 122 CO -0.05 1.07 0.06 0.37 -1.00 0.00 0.00 179.01 179.46 1jin h GLN 123 N 0.86 0.22 -0.71 2.33 4.15 -0.16 -1.90 115.11 119.90 1jin h GLN 123 Ca 0.12 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.51 1jin h GLN 123 Cb 0.74 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.36 1jin h GLN 123 CO 0.06 0.29 0.47 0.82 -1.93 0.00 0.00 178.83 178.54 1jin h ILE 124 N 0.10 1.17 -0.48 2.39 2.04 -0.54 -2.14 117.51 120.05 1jin h ILE 124 Ca 0.05 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.61 1jin h ILE 124 Cb 0.15 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 1jin h ILE 124 CO -0.01 0.17 0.29 0.74 0.00 0.00 0.00 178.15 179.35 1jin h THR 125 N 0.95 1.05 0.31 -0.27 2.02 -1.11 -2.13 112.91 113.73 1jin h THR 125 Ca 0.26 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1jin h THR 125 Cb -0.09 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1jin h THR 125 CO -0.06 0.11 -0.19 0.00 0.37 0.00 0.00 175.52 175.74 1jin h ALA 126 N 1.21 -0.47 -0.54 6.16 0.00 -0.95 -1.66 119.26 123.00 1jin h ALA 126 Ca 0.19 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1jin h ALA 126 Cb 0.01 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1jin h ALA 126 CO -0.08 -0.78 0.20 0.93 0.00 0.00 0.00 179.25 179.52 1jin h GLU 127 N -0.48 0.37 -0.94 0.00 5.08 -1.28 0.13 114.58 117.46 1jin h GLU 127 Ca -0.03 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1jin h GLU 127 Cb 0.40 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 1jin h GLU 127 CO 0.03 0.24 0.62 -0.07 -1.00 0.00 0.00 179.01 178.84 1jin h LEU 128 N 0.38 1.06 -0.82 1.33 3.38 -1.23 -1.68 115.31 117.73 1jin h LEU 128 Ca 0.26 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 1jin h LEU 128 Cb 0.30 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1jin h LEU 128 CO -0.27 0.76 -0.44 -0.07 0.09 0.00 0.00 178.44 178.51 1jin h LEU 129 N 1.25 0.00 -0.90 1.67 3.38 -0.22 -3.00 115.31 117.49 1jin h LEU 129 Ca 0.35 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.23 1jin h LEU 129 Cb -0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1jin h LEU 129 CO -0.08 0.44 -0.12 0.44 0.09 0.00 0.00 178.44 179.21 1jin h ASP 130 N 0.00 0.67 0.10 -0.43 3.45 0.13 -3.13 116.42 117.20 1jin h ASP 130 Ca -0.00 -0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.26 1jin h ASP 130 Cb 0.99 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.58 1jin h ASP 130 CO 0.06 0.81 -0.10 -1.84 -1.57 0.00 0.00 179.24 176.60 1jin n GLU 131 N -4.17 1.30 0.09 3.56 0.28 -0.99 -4.03 120.64 116.68 1jin n GLU 131 Ca 0.01 -0.73 -0.14 0.00 -0.16 0.00 0.00 57.16 56.14 1jin n GLU 131 Cb 0.35 -1.48 -0.14 0.00 1.43 0.00 0.00 31.44 31.60 1jin n GLU 131 CO 0.00 0.00 0.00 -0.39 -0.16 0.00 0.00 177.13 176.58 1jin h VAL 132 N 1.79 1.51 0.00 3.84 -1.51 -1.48 -3.50 116.25 116.90 1jin h VAL 132 Ca 0.00 -3.12 0.00 0.00 -1.23 0.00 0.00 66.70 62.35 1jin h VAL 132 Cb 0.48 2.90 0.00 0.00 -2.13 0.00 0.00 31.29 32.55 1jin h VAL 132 CO 0.00 0.90 0.00 0.61 -1.23 0.00 0.00 177.57 177.85 1jin n GLY 133 N 1.50 2.02 0.24 5.19 0.00 -1.26 -4.87 105.19 108.01 1jin n GLY 133 Ca -0.07 -2.13 0.02 0.00 0.00 0.00 0.00 46.02 43.84 1jin n GLY 133 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jin n ASP 134 N 0.00 2.30 -3.70 1.61 5.75 -1.26 -4.99 116.55 116.26 1jin n ASP 134 Ca 0.00 -1.96 -0.14 0.00 -0.01 0.00 0.00 54.79 52.67 1jin n ASP 134 Cb 0.00 -0.08 -0.08 0.00 -1.03 0.00 0.00 41.12 39.93 1jin n ASP 134 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1jin s SER 135 N -0.97 -0.31 0.00 -1.12 0.01 -1.26 -3.73 113.70 106.32 1jin s SER 135 Ca 0.08 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1jin s SER 135 Cb 0.04 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.65 1jin s SER 135 CO 0.06 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.83 1jin n GLY 136 N 1.20 -4.14 3.49 3.44 0.00 -1.26 -4.85 105.19 103.08 1jin n GLY 136 Ca -0.21 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.36 1jin n GLY 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jin s VAL 137 N -0.91 4.29 0.32 1.61 1.01 -1.26 -0.79 120.40 124.67 1jin s VAL 137 Ca 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 61.84 1jin s VAL 137 Cb 0.00 -2.96 -0.06 0.00 0.00 0.00 0.00 36.38 33.35 1jin s VAL 137 CO 0.00 0.40 0.02 0.68 0.00 0.00 0.00 175.10 176.20 1jin s VAL 138 N 1.07 1.38 -0.61 2.92 -7.23 -0.36 -4.93 120.40 112.64 1jin s VAL 138 Ca 0.03 -2.03 -0.18 0.00 -1.81 0.00 0.00 61.98 57.99 1jin s VAL 138 Cb -0.14 -2.70 0.11 0.00 0.56 0.00 0.00 36.38 34.21 1jin s VAL 138 CO 0.03 -0.10 0.70 -0.62 -0.31 0.00 0.00 175.10 174.80 1jin s ASP 139 N -3.49 6.24 0.65 4.85 3.68 -1.26 -0.89 116.67 126.44 1jin s ASP 139 Ca 0.34 -1.57 0.43 0.00 2.13 0.00 0.00 52.55 53.87 1jin s ASP 139 Cb 0.07 -2.29 2.24 0.00 -1.45 0.00 0.00 42.92 41.49 1jin s ASP 139 CO 0.14 -1.06 2.30 -0.29 0.13 0.00 0.00 175.17 176.40 1jin h ILE 140 N 5.85 0.00 0.06 4.11 6.09 -1.73 -0.36 117.51 131.53 1jin h ILE 140 Ca -0.25 -0.10 -0.00 0.00 -1.37 0.00 0.00 64.86 63.14 1jin h ILE 140 Cb 1.08 1.09 0.00 0.00 0.47 0.00 0.00 36.82 39.47 1jin h ILE 140 CO 1.08 0.00 -0.03 0.58 -3.07 0.00 0.00 178.15 176.71 1jin h VAL 141 N 0.00 1.06 -0.31 2.19 2.07 -1.90 0.14 116.25 119.50 1jin h VAL 141 Ca 0.00 -1.57 -0.08 0.00 0.82 0.00 0.00 66.70 65.86 1jin h VAL 141 Cb 0.10 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1jin h VAL 141 CO 0.00 0.33 -0.15 -0.78 0.02 0.00 0.00 177.57 176.99 1jin h ASP 142 N -0.93 0.54 0.42 0.57 3.58 -1.74 0.22 116.42 119.08 1jin h ASP 142 Ca -0.01 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1jin h ASP 142 Cb 0.59 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1jin h ASP 142 CO 0.01 0.72 -0.79 0.54 -2.88 0.00 0.00 179.24 176.84 1jin n ARG 143 N -4.17 0.13 0.06 0.28 5.12 -0.18 -4.47 116.66 113.43 1jin n ARG 143 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1jin n ARG 143 Cb 0.35 -1.55 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 1jin n ARG 143 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1jin n PHE 144 N -1.71 -1.23 -0.34 -1.55 -0.00 -0.42 -4.81 117.46 107.40 1jin n PHE 144 Ca 0.04 0.22 0.11 0.00 -0.00 0.00 0.00 57.45 57.83 1jin n PHE 144 Cb 0.38 0.65 0.30 0.00 -0.00 0.00 0.00 39.48 40.81 1jin n PHE 144 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1jin h ALA 145 N 0.00 1.56 0.01 3.13 0.00 -0.65 -2.87 119.26 120.44 1jin h ALA 145 Ca 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jin h ALA 145 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1jin h ALA 145 CO 0.00 -0.07 -0.00 1.25 0.00 0.00 0.00 179.25 180.42 1jin h HIS 146 N 0.71 -0.01 -0.33 0.00 2.76 -0.79 -3.38 115.15 114.11 1jin h HIS 146 Ca 0.55 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.68 1jin h HIS 146 Cb 0.85 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.79 1jin h HIS 146 CO -0.03 0.66 0.05 -1.00 -1.30 0.00 0.00 177.93 176.31 1jin h PRO 147 N -0.98 0.48 0.57 5.26 0.13 -1.76 -3.15 132.00 132.55 1jin h PRO 147 Ca -0.00 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 65.03 1jin h PRO 147 Cb 0.68 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 1jin h PRO 147 CO 0.00 0.47 -0.48 1.25 -0.23 0.00 0.00 178.00 179.01 1jin h LEU 148 N 0.47 -1.29 -1.16 1.56 6.46 -1.69 0.05 115.31 119.71 1jin h LEU 148 Ca 0.11 0.10 0.08 0.00 -0.12 0.00 0.00 57.88 58.04 1jin h LEU 148 Cb 0.23 0.41 -0.06 0.00 -0.73 0.00 0.00 40.66 40.51 1jin h LEU 148 CO 0.00 -0.67 0.58 -0.65 -0.62 0.00 0.00 178.44 177.08 1jin h PRO 149 N -1.03 0.95 -0.49 5.25 0.11 -1.73 -1.69 132.00 133.36 1jin h PRO 149 Ca -0.07 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.90 1jin h PRO 149 Cb 0.88 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.76 1jin h PRO 149 CO -0.01 0.63 -0.03 0.82 -0.21 0.00 0.00 178.00 179.19 1jin h ILE 150 N 0.97 1.27 -0.49 4.15 2.04 -1.45 -1.24 117.51 122.77 1jin h ILE 150 Ca 0.40 -1.13 -0.12 0.00 1.00 0.00 0.00 64.86 65.01 1jin h ILE 150 Cb 0.28 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1jin h ILE 150 CO -0.16 0.40 -0.17 0.11 0.00 0.00 0.00 178.15 178.32 1jin h LYS 151 N 0.75 0.97 0.11 2.37 1.57 -0.47 -1.99 116.57 119.89 1jin h LYS 151 Ca 0.14 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 1jin h LYS 151 Cb 0.56 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1jin h LYS 151 CO 0.03 1.06 -0.05 0.28 -0.57 0.00 0.00 179.45 180.20 1jin h VAL 152 N 0.85 0.94 -0.12 0.50 2.07 -1.19 -2.26 116.25 117.04 1jin h VAL 152 Ca 0.12 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 1jin h VAL 152 Cb 0.74 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1jin h VAL 152 CO 0.06 0.05 -0.29 -0.29 0.02 0.00 0.00 177.57 177.11 1jin h ILE 153 N -0.23 1.25 -0.08 4.57 6.09 -1.20 -1.89 117.51 126.02 1jin h ILE 153 Ca -0.01 -1.21 -0.12 0.00 -1.37 0.00 0.00 64.86 62.15 1jin h ILE 153 Cb 0.19 1.49 -0.01 0.00 0.47 0.00 0.00 36.82 38.96 1jin h ILE 153 CO 0.02 0.36 -0.48 0.00 -3.07 0.00 0.00 178.15 174.99 1jin h GLU 155 N 0.17 0.70 -0.66 0.00 5.08 -1.07 0.35 114.58 119.14 1jin h GLU 155 Ca 0.01 -0.64 -0.04 0.00 -1.00 0.00 0.00 59.36 57.68 1jin h GLU 155 Cb 0.91 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 1jin h GLU 155 CO 0.07 1.24 0.25 1.25 -1.00 0.00 0.00 179.01 180.82 1jin h LEU 156 N 0.44 0.93 0.00 1.33 6.46 -1.18 -3.26 115.31 120.04 1jin h LEU 156 Ca -0.08 -0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.50 1jin h LEU 156 Cb 1.52 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 41.20 1jin h LEU 156 CO 0.17 0.86 -1.02 0.18 -0.62 0.00 0.00 178.44 178.02 1jin n LEU 157 N -4.38 0.63 -0.43 2.25 4.32 -0.21 -0.53 117.00 118.64 1jin n LEU 157 Ca 0.05 -0.09 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 1jin n LEU 157 Cb 0.19 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1jin n LEU 157 CO 0.40 0.08 0.00 0.61 -1.22 0.00 0.00 177.39 177.26 1jin n GLY 158 N 1.39 0.95 3.53 -0.72 0.00 0.90 -4.38 105.19 106.87 1jin n GLY 158 Ca 0.02 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 1jin n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jin s VAL 159 N -2.84 4.96 0.80 1.61 1.01 0.71 -5.03 120.40 121.62 1jin s VAL 159 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 1jin s VAL 159 Cb 0.00 -3.38 0.07 0.00 0.00 0.00 0.00 36.38 33.07 1jin s VAL 159 CO 0.00 0.24 1.09 -1.81 0.00 0.00 0.00 175.10 174.62 1jin s ASP 160 N 1.70 4.47 0.20 3.32 -0.00 -1.26 -4.60 116.67 120.50 1jin s ASP 160 Ca 0.07 1.39 -0.12 0.00 -0.00 0.00 0.00 52.55 53.88 1jin s ASP 160 Cb -0.16 -2.14 0.24 0.00 -0.00 0.00 0.00 42.92 40.87 1jin s ASP 160 CO 0.08 -2.00 1.66 1.05 -0.00 0.00 0.00 175.17 175.97 1jin h GLU 161 N -1.11 0.09 -5.36 8.23 4.11 -1.98 -3.14 114.58 115.42 1jin h GLU 161 Ca -0.47 -0.01 -0.69 0.00 0.07 0.00 0.00 59.36 58.27 1jin h GLU 161 Cb 1.26 -0.02 -0.14 0.00 0.50 0.00 0.00 28.75 30.36 1jin h GLU 161 CO 0.58 0.06 1.51 0.00 0.07 0.00 0.00 179.01 181.22 1jin s ALA 162 N -6.17 3.45 0.00 1.06 0.00 -1.26 -2.88 121.76 115.96 1jin s ALA 162 Ca -0.14 -2.91 0.00 0.00 0.00 0.00 0.00 51.96 48.91 1jin s ALA 162 Cb 0.18 -4.33 0.00 0.00 0.00 0.00 0.00 23.12 18.97 1jin s ALA 162 CO 0.73 -3.12 0.00 0.00 0.00 0.00 0.00 175.76 173.37 1jin n ALA 163 N 7.18 0.00 -0.83 0.00 0.00 -1.19 -5.12 120.51 120.55 1jin n ALA 163 Ca 0.37 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.52 1jin n ALA 163 Cb 0.46 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.14 1jin n ALA 163 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1jin s ARG 164 N 0.00 -0.67 0.00 0.00 0.52 -1.14 -2.33 118.95 115.32 1jin s ARG 164 Ca 0.00 0.53 0.00 0.00 -0.52 0.00 0.00 55.73 55.74 1jin s ARG 164 Cb 0.00 -1.61 0.00 0.00 0.52 0.00 0.00 34.95 33.86 1jin s ARG 164 CO 0.00 -3.48 0.00 0.41 0.02 0.00 0.00 175.30 172.25 1jin n GLY 165 N -0.08 1.53 0.21 -3.53 0.00 -1.26 -4.27 105.19 97.79 1jin n GLY 165 Ca 0.05 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1jin n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jin h ALA 166 N 0.00 -0.44 -1.00 4.61 0.00 -1.95 -2.61 119.26 117.87 1jin h ALA 166 Ca 0.00 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 54.92 1jin h ALA 166 Cb 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.86 1jin h ALA 166 CO 0.00 -0.54 0.61 0.35 0.00 0.00 0.00 179.25 179.67 1jin h PHE 167 N -0.86 0.99 -0.84 0.00 3.57 -1.64 -0.47 116.94 117.69 1jin h PHE 167 Ca -0.05 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.52 1jin h PHE 167 Cb 0.53 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 1jin h PHE 167 CO 0.03 0.21 0.54 0.78 -2.23 0.00 0.00 178.31 177.64 1jin h GLY 168 N 0.70 1.21 2.00 2.40 0.00 -1.80 -1.39 103.07 106.19 1jin h GLY 168 Ca 0.58 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1jin h GLY 168 CO -0.36 0.36 -0.07 0.07 0.00 0.00 0.00 176.54 176.53 1jin h ARG 169 N 1.06 0.00 0.09 4.80 0.11 -0.70 -2.61 114.38 117.12 1jin h ARG 169 Ca 0.33 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 60.18 1jin h ARG 169 Cb -0.01 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.09 1jin h ARG 169 CO -0.11 0.07 -0.96 -1.49 0.10 0.00 0.00 179.97 177.58 1jin h TRP 170 N 0.00 0.80 0.00 4.08 6.55 -1.06 -3.08 115.95 123.24 1jin h TRP 170 Ca -0.00 -0.50 -0.08 0.00 0.95 0.00 0.00 58.89 59.26 1jin h TRP 170 Cb 0.66 -0.07 -0.01 0.00 -0.86 0.00 0.00 29.16 28.89 1jin h TRP 170 CO 0.00 1.35 -0.39 0.66 -1.05 0.00 0.00 178.44 179.00 1jin h SER 171 N 0.03 0.00 -0.22 -3.49 4.64 -1.30 -2.52 113.55 110.68 1jin h SER 171 Ca -0.15 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.05 1jin h SER 171 Cb 1.68 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.76 1jin h SER 171 CO 0.19 0.39 -0.29 0.28 -0.87 0.00 0.00 176.83 176.53 1jin h SER 172 N 0.00 0.74 -0.20 4.97 0.02 -1.52 -2.52 113.55 115.03 1jin h SER 172 Ca -0.00 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 1jin h SER 172 Cb 0.90 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1jin h SER 172 CO 0.05 0.98 0.03 -0.08 -1.14 0.00 0.00 176.83 176.68 1jin h GLU 173 N 0.62 0.34 -0.30 3.45 4.57 -1.41 -2.71 114.58 119.14 1jin h GLU 173 Ca 0.08 -0.09 0.09 0.00 -1.18 0.00 0.00 59.36 58.25 1jin h GLU 173 Cb 0.80 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.34 1jin h GLU 173 CO 0.07 0.50 0.25 0.82 -1.18 0.00 0.00 179.01 179.46 1jin h ILE 174 N 0.13 0.67 0.00 2.32 1.08 -1.28 -1.79 117.51 118.64 1jin h ILE 174 Ca 0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.53 1jin h ILE 174 Cb 0.33 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 34.89 1jin h ILE 174 CO 0.00 0.00 0.00 -0.07 -0.69 0.00 0.00 178.15 177.39 1jin h LEU 175 N 0.00 0.00 -9.43 1.44 3.38 -1.11 -3.42 115.31 106.17 1jin h LEU 175 Ca 0.14 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.47 1jin h LEU 175 Cb 0.64 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.29 1jin h LEU 175 CO -0.00 0.00 -0.51 -0.69 0.09 0.00 0.00 178.44 177.33 1jin s VAL 176 N -3.75 5.28 -0.76 1.22 1.01 -0.67 -4.67 120.40 118.06 1jin s VAL 176 Ca 0.00 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1jin s VAL 176 Cb 0.10 -3.34 0.19 0.00 0.00 0.00 0.00 36.38 33.33 1jin s VAL 176 CO 0.51 0.54 0.62 0.23 0.00 0.00 0.00 175.10 177.00 1jin n MET 177 N 2.66 2.18 -3.88 2.72 2.81 -1.26 -5.01 117.12 117.34 1jin n MET 177 Ca -0.18 -4.51 -0.36 0.00 -1.81 0.00 0.00 57.70 50.84 1jin n MET 177 Cb 0.54 -2.32 -0.14 0.00 -0.71 0.00 0.00 33.22 30.59 1jin n MET 177 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1jin s ASP 178 N -1.24 4.60 0.61 7.83 3.68 -1.26 -5.00 116.67 125.88 1jin s ASP 178 Ca 0.27 -0.70 0.29 0.00 2.13 0.00 0.00 52.55 54.55 1jin s ASP 178 Cb -0.03 -1.76 1.56 0.00 -1.45 0.00 0.00 42.92 41.25 1jin s ASP 178 CO -0.14 -0.12 1.95 1.55 0.13 0.00 0.00 175.17 178.54 1jin h PRO 179 N 8.11 0.00 0.00 4.34 0.13 -1.98 0.65 132.00 143.25 1jin h PRO 179 Ca -0.34 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.75 1jin h PRO 179 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1jin h PRO 179 CO 0.59 0.00 -0.20 1.05 -0.23 0.00 0.00 178.00 179.21 1jin h GLU 180 N 0.00 0.00 -0.55 0.86 4.11 -2.03 -3.18 114.58 113.79 1jin h GLU 180 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 1jin h GLU 180 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1jin h GLU 180 CO -0.00 0.20 0.00 0.54 0.07 0.00 0.00 179.01 179.82 1jin n ARG 181 N -3.19 3.10 -0.33 1.06 1.74 0.20 -4.65 116.66 114.59 1jin n ARG 181 Ca 0.02 -2.56 0.24 0.00 -0.77 0.00 0.00 57.85 54.78 1jin n ARG 181 Cb 0.55 -1.60 0.53 0.00 -1.02 0.00 0.00 32.46 30.92 1jin n ARG 181 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jin h ALA 182 N 3.31 2.32 0.11 7.54 0.00 -1.49 0.18 119.26 131.22 1jin h ALA 182 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1jin h ALA 182 Cb 1.09 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1jin h ALA 182 CO 0.09 -0.73 -0.05 1.49 0.00 0.00 0.00 179.25 180.05 1jin h GLU 183 N 0.35 -0.14 -0.89 0.00 4.81 -1.87 0.32 114.58 117.15 1jin h GLU 183 Ca 0.60 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.84 1jin h GLU 183 Cb 1.61 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.98 1jin h GLU 183 CO -0.28 0.26 0.56 1.96 -0.73 0.00 0.00 179.01 180.78 1jin h GLN 184 N -0.59 1.19 -0.40 1.92 7.50 -1.49 0.20 115.11 123.44 1jin h GLN 184 Ca -0.01 -0.09 -0.05 0.00 0.50 0.00 0.00 58.65 59.00 1jin h GLN 184 Cb 0.47 -0.26 -0.02 0.00 0.05 0.00 0.00 27.48 27.73 1jin h GLN 184 CO 0.02 0.81 0.06 -0.09 -1.50 0.00 0.00 178.83 178.13 1jin h ARG 185 N 1.21 0.66 -0.64 1.46 2.43 -0.71 -1.02 114.38 117.78 1jin h ARG 185 Ca 0.32 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1jin h ARG 185 Cb -0.09 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 1jin h ARG 185 CO -0.06 0.72 0.33 0.78 -1.51 0.00 0.00 179.97 180.22 1jin h GLY 186 N 0.51 0.96 0.71 2.80 0.00 0.26 -2.01 103.07 106.30 1jin h GLY 186 Ca 0.12 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1jin h GLY 186 CO 0.01 0.42 -0.06 1.46 0.00 0.00 0.00 176.54 178.37 1jin h GLN 187 N 0.90 0.25 -0.52 4.80 4.20 -0.30 -2.69 115.11 121.74 1jin h GLN 187 Ca 0.22 -0.11 0.02 0.00 0.06 0.00 0.00 58.65 58.85 1jin h GLN 187 Cb 0.06 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1jin h GLN 187 CO -0.03 0.60 0.35 0.00 -0.67 0.00 0.00 178.83 179.07 1jin h ALA 188 N 0.65 1.71 -0.21 3.87 0.00 -0.94 -0.70 119.26 123.64 1jin h ALA 188 Ca 0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1jin h ALA 188 Cb 0.52 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1jin h ALA 188 CO 0.02 0.24 -0.26 0.00 0.00 0.00 0.00 179.25 179.25 1jin h ALA 189 N 1.69 1.15 -0.06 0.00 0.00 -1.26 -1.07 119.26 119.71 1jin h ALA 189 Ca 0.20 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1jin h ALA 189 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1jin h ALA 189 CO -0.05 0.54 -0.68 -0.09 0.00 0.00 0.00 179.25 178.97 1jin h ARG 190 N 0.36 0.25 -0.05 0.00 2.43 -0.82 -2.23 114.38 114.32 1jin h ARG 190 Ca 0.05 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1jin h ARG 190 Cb 0.65 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1jin h ARG 190 CO 0.05 0.84 -0.01 0.93 -1.51 0.00 0.00 179.97 180.27 1jin h GLU 191 N 0.18 0.09 -0.95 0.20 4.39 -0.93 -1.44 114.58 116.11 1jin h GLU 191 Ca -0.02 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.69 1jin h GLU 191 Cb 1.22 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.81 1jin h GLU 191 CO 0.11 0.42 0.62 -0.39 -1.16 0.00 0.00 179.01 178.60 1jin h VAL 192 N -0.24 1.16 -0.73 3.13 -1.51 -1.20 0.22 116.25 117.09 1jin h VAL 192 Ca 0.01 -0.41 -0.05 0.00 -1.23 0.00 0.00 66.70 65.02 1jin h VAL 192 Cb 0.38 -0.14 -0.03 0.00 -2.13 0.00 0.00 31.29 29.37 1jin h VAL 192 CO 0.00 0.22 0.24 0.58 -1.23 0.00 0.00 177.57 177.38 1jin h VAL 193 N 1.19 1.26 -0.14 7.19 2.07 -1.27 -1.31 116.25 125.24 1jin h VAL 193 Ca 0.38 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1jin h VAL 193 Cb 0.01 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1jin h VAL 193 CO -0.13 0.34 -0.04 0.78 0.02 0.00 0.00 177.57 178.55 1jin h ASN 194 N 1.07 0.27 -0.39 0.57 -0.26 -0.33 -1.71 115.58 114.79 1jin h ASN 194 Ca 0.24 -0.37 0.08 0.00 -0.56 0.00 0.00 56.30 55.69 1jin h ASN 194 Cb 0.28 -0.07 -0.08 0.00 -1.06 0.00 0.00 38.32 37.39 1jin h ASN 194 CO -0.01 0.58 -0.11 0.15 -1.06 0.00 0.00 177.43 176.98 1jin h PHE 195 N -0.04 -0.24 -0.78 1.19 3.04 -0.79 -0.87 116.94 118.45 1jin h PHE 195 Ca 0.03 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 62.00 1jin h PHE 195 Cb 0.46 0.17 -0.04 0.00 2.56 0.00 0.00 35.95 39.10 1jin h PHE 195 CO 0.05 -0.18 0.38 0.82 -2.02 0.00 0.00 178.31 177.36 1jin h ILE 196 N -0.01 1.24 -0.82 1.41 1.08 -1.15 -0.60 117.51 118.66 1jin h ILE 196 Ca 0.19 -0.67 -0.01 0.00 -0.39 0.00 0.00 64.86 63.99 1jin h ILE 196 Cb 0.30 0.23 -0.04 0.00 -3.07 0.00 0.00 36.82 34.25 1jin h ILE 196 CO -0.41 0.29 0.48 -0.07 -0.69 0.00 0.00 178.15 177.74 1jin h LEU 197 N 1.10 1.00 -0.32 1.44 3.38 -0.24 -1.24 115.31 120.43 1jin h LEU 197 Ca 0.27 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 1jin h LEU 197 Cb 0.10 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1jin h LEU 197 CO -0.04 0.78 -0.33 0.44 0.09 0.00 0.00 178.44 179.39 1jin h ASP 198 N 1.13 0.84 -0.17 -0.43 3.45 -0.85 -2.09 116.42 118.29 1jin h ASP 198 Ca 0.29 -0.47 0.04 0.00 0.43 0.00 0.00 57.03 57.32 1jin h ASP 198 Cb -0.02 -0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 38.48 1jin h ASP 198 CO -0.05 1.14 -0.10 0.25 -1.57 0.00 0.00 179.24 178.91 1jin h LEU 199 N 0.55 -0.32 -0.99 1.55 5.85 -0.62 0.42 115.31 121.75 1jin h LEU 199 Ca 0.05 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1jin h LEU 199 Cb 0.91 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1jin h LEU 199 CO 0.08 -0.13 0.01 0.58 -0.34 0.00 0.00 178.44 178.65 1jin h VAL 200 N -0.08 1.23 -0.27 1.05 2.07 -1.23 -0.28 116.25 118.73 1jin h VAL 200 Ca 0.10 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 1jin h VAL 200 Cb 0.23 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1jin h VAL 200 CO -0.23 0.33 0.03 -0.08 0.02 0.00 0.00 177.57 177.65 1jin h GLU 201 N 0.70 0.46 -0.48 1.57 4.81 -0.68 -1.32 114.58 119.63 1jin h GLU 201 Ca 0.14 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1jin h GLU 201 Cb 0.41 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1jin h GLU 201 CO 0.02 0.58 0.14 0.00 -0.73 0.00 0.00 179.01 179.02 1jin h ARG 202 N 0.26 0.75 -0.85 1.92 3.08 -0.72 -2.56 114.38 116.25 1jin h ARG 202 Ca 0.08 -0.17 0.05 0.00 0.07 0.00 0.00 59.98 60.02 1jin h ARG 202 Cb 0.35 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 1jin h ARG 202 CO 0.01 0.72 0.56 -0.09 -1.07 0.00 0.00 179.97 180.09 1jin h ARG 203 N 0.64 0.96 -0.06 0.04 9.65 -0.85 0.11 114.38 124.87 1jin h ARG 203 Ca 0.15 -0.06 -0.10 0.00 -1.10 0.00 0.00 59.98 58.87 1jin h ARG 203 Cb 0.29 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 1jin h ARG 203 CO -0.00 0.63 -0.42 0.00 2.80 0.00 0.00 179.97 182.98 1jin h ARG 204 N 0.99 0.13 0.15 0.20 3.08 -0.96 -3.12 114.38 114.84 1jin h ARG 204 Ca 0.36 -0.06 -0.27 0.00 0.07 0.00 0.00 59.98 60.08 1jin h ARG 204 Cb 0.15 -0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.23 1jin h ARG 204 CO -0.12 0.53 -1.14 1.15 -1.07 0.00 0.00 179.97 179.32 1jin h THR 205 N 0.11 1.35 -3.13 2.04 2.02 -0.74 -3.41 112.91 111.14 1jin h THR 205 Ca 0.01 -2.50 -0.62 0.00 0.77 0.00 0.00 66.41 64.07 1jin h THR 205 Cb 0.79 2.90 -0.41 0.00 -1.74 0.00 0.00 68.15 69.70 1jin h THR 205 CO 0.06 0.74 -0.68 -0.70 0.37 0.00 0.00 175.52 175.31 1jin s GLU 206 N -2.78 1.74 0.80 6.66 2.12 0.24 -5.11 118.70 122.37 1jin s GLU 206 Ca -0.11 -2.48 -0.13 0.00 0.36 0.00 0.00 54.97 52.62 1jin s GLU 206 Cb 0.04 -2.86 0.08 0.00 0.26 0.00 0.00 34.13 31.65 1jin s GLU 206 CO 0.90 -1.17 1.19 -2.14 -0.54 0.00 0.00 175.26 173.50 1jin s PRO 207 N -0.21 1.69 0.00 4.30 0.02 -1.19 -4.63 135.00 134.98 1jin s PRO 207 Ca 0.19 1.68 0.00 0.00 0.02 0.00 0.00 61.00 62.89 1jin s PRO 207 Cb -0.21 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.53 1jin s PRO 207 CO -0.03 -2.16 0.00 0.41 -0.33 0.00 0.00 177.00 174.89 1jin n GLY 208 N 0.30 4.25 0.17 0.52 0.00 -1.26 -5.06 105.19 104.11 1jin n GLY 208 Ca 0.13 -0.97 0.03 0.00 0.00 0.00 0.00 46.02 45.20 1jin n GLY 208 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jin n ASP 209 N 0.00 2.30 -4.63 1.61 5.75 -1.26 -4.79 116.55 115.54 1jin n ASP 209 Ca 0.00 -2.19 -0.29 0.00 -0.01 0.00 0.00 54.79 52.30 1jin n ASP 209 Cb 0.00 -0.12 0.14 0.00 -1.03 0.00 0.00 41.12 40.10 1jin n ASP 209 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 1jin s ASP 210 N -1.29 3.56 0.23 -1.12 1.47 -1.26 -4.86 116.67 113.40 1jin s ASP 210 Ca 0.10 0.75 -0.07 0.00 1.18 0.00 0.00 52.55 54.51 1jin s ASP 210 Cb 0.08 -1.17 0.22 0.00 -0.34 0.00 0.00 42.92 41.70 1jin s ASP 210 CO 0.04 -2.50 1.90 0.25 0.68 0.00 0.00 175.17 175.54 1jin h LEU 211 N -1.47 1.06 -0.60 2.11 5.85 -1.12 -1.93 115.31 119.22 1jin h LEU 211 Ca -0.48 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.16 1jin h LEU 211 Cb 1.31 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 1jin h LEU 211 CO 0.57 0.78 0.18 0.25 -0.34 0.00 0.00 178.44 179.88 1jin h LEU 212 N 1.25 0.87 -0.74 2.25 5.85 -1.76 0.78 115.31 123.80 1jin h LEU 212 Ca 0.33 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1jin h LEU 212 Cb -0.12 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.64 1jin h LEU 212 CO -0.07 0.85 0.44 0.28 -0.34 0.00 0.00 178.44 179.60 1jin h SER 213 N 0.85 0.90 -0.49 1.25 0.02 -1.82 -2.03 113.55 112.23 1jin h SER 213 Ca 0.19 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1jin h SER 213 Cb 0.29 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1jin h SER 213 CO -0.01 0.71 0.22 0.00 -1.14 0.00 0.00 176.83 176.62 1jin h ALA 214 N 1.23 0.63 0.00 3.77 0.00 -0.68 -2.51 119.26 121.70 1jin h ALA 214 Ca 0.27 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1jin h ALA 214 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1jin h ALA 214 CO -0.05 0.21 -0.20 -0.07 0.00 0.00 0.00 179.25 179.14 1jin h LEU 215 N 0.65 0.00 -0.75 0.00 3.38 -0.55 -1.42 115.31 116.62 1jin h LEU 215 Ca 0.17 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 1jin h LEU 215 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1jin h LEU 215 CO -0.02 0.20 -0.54 0.40 0.09 0.00 0.00 178.44 178.57 1jin h ILE 216 N 0.00 1.36 0.00 1.22 2.04 -0.92 -3.26 117.51 117.96 1jin h ILE 216 Ca -0.00 -1.83 -0.02 0.00 1.00 0.00 0.00 64.86 64.00 1jin h ILE 216 Cb 0.40 1.90 -0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1jin h ILE 216 CO 0.03 0.54 -1.63 -1.20 0.00 0.00 0.00 178.15 175.89 1jin n SER 217 N -3.92 0.35 -4.67 1.72 7.64 -1.06 -4.95 113.62 108.72 1jin n SER 217 Ca -0.02 0.14 -0.45 0.00 1.01 0.00 0.00 58.87 59.54 1jin n SER 217 Cb 0.57 1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 65.07 1jin n SER 217 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1jin n VAL 218 N -2.45 0.69 -3.63 0.44 3.14 -0.56 -5.00 118.33 110.96 1jin n VAL 218 Ca -0.04 -0.17 -0.12 0.00 -2.96 0.00 0.00 64.34 61.05 1jin n VAL 218 Cb 0.59 -1.49 -0.05 0.00 -1.06 0.00 0.00 33.84 31.83 1jin n VAL 218 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1jin s GLN 219 N -0.06 1.02 0.06 1.45 -2.07 -1.26 -4.38 119.66 114.43 1jin s GLN 219 Ca 0.71 -0.54 0.06 0.00 -1.82 0.00 0.00 55.36 53.77 1jin s GLN 219 Cb -0.66 0.45 -0.03 0.00 -1.09 0.00 0.00 33.01 31.69 1jin s GLN 219 CO 0.47 -0.38 -0.17 0.34 -1.32 0.00 0.00 175.29 174.22 1jin s ASP 220 N -2.46 2.08 0.21 12.60 -1.08 0.89 -4.94 116.67 123.98 1jin s ASP 220 Ca -0.01 -0.55 -0.09 0.00 -0.52 0.00 0.00 52.55 51.39 1jin s ASP 220 Cb 0.01 -0.13 0.31 0.00 -1.46 0.00 0.00 42.92 41.65 1jin s ASP 220 CO -0.08 0.06 1.71 0.44 0.52 0.00 0.00 175.17 177.82 1jin h ASP 221 N 4.65 0.02 0.23 -0.34 3.32 -2.03 0.20 116.42 122.47 1jin h ASP 221 Ca -0.41 0.11 -0.32 0.00 0.02 0.00 0.00 57.03 56.43 1jin h ASP 221 Cb 1.18 0.15 -0.06 0.00 0.22 0.00 0.00 39.33 40.82 1jin h ASP 221 CO 0.42 0.01 -2.06 0.47 -1.72 0.00 0.00 179.24 176.37 1jin n ASP 222 N -5.12 0.40 -0.34 6.45 8.00 -1.26 -4.46 116.55 120.23 1jin n ASP 222 Ca 0.10 0.19 0.12 0.00 0.71 0.00 0.00 54.79 55.90 1jin n ASP 222 Cb 0.34 0.53 0.15 0.00 -0.02 0.00 0.00 41.12 42.12 1jin n ASP 222 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1jin n ASP 223 N -2.87 1.49 0.00 -2.24 8.00 -1.16 -5.06 116.55 114.71 1jin n ASP 223 Ca -0.25 -1.17 0.00 0.00 0.71 0.00 0.00 54.79 54.08 1jin n ASP 223 Cb 1.09 0.37 0.00 0.00 -0.02 0.00 0.00 41.12 42.56 1jin n ASP 223 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jin n GLY 224 N 1.40 2.70 3.38 0.44 0.00 0.68 -4.76 105.19 109.01 1jin n GLY 224 Ca 0.10 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 1jin n GLY 224 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1jin s ARG 225 N 0.00 1.79 -0.03 1.61 1.70 -1.26 -0.07 118.95 122.69 1jin s ARG 225 Ca 0.00 -2.06 -0.30 0.00 -0.47 0.00 0.00 55.73 52.90 1jin s ARG 225 Cb 0.00 -0.10 -0.03 0.00 -0.57 0.00 0.00 34.95 34.26 1jin s ARG 225 CO 0.00 -0.55 1.02 -0.51 -1.08 0.00 0.00 175.30 174.18 1jin s LEU 226 N -3.46 4.32 0.90 -1.89 1.43 -1.26 -5.04 118.68 113.69 1jin s LEU 226 Ca 0.33 1.66 -0.12 0.00 -1.03 0.00 0.00 54.13 54.97 1jin s LEU 226 Cb 0.03 -3.57 0.13 0.00 0.03 0.00 0.00 46.19 42.81 1jin s LEU 226 CO 0.21 -0.36 1.11 -0.94 0.23 0.00 0.00 176.35 176.60 1jin s SER 227 N 1.07 3.53 0.16 2.29 1.04 -1.26 -4.73 113.70 115.81 1jin s SER 227 Ca 0.52 1.13 -0.19 0.00 0.48 0.00 0.00 55.95 57.89 1jin s SER 227 Cb -0.21 -1.77 0.06 0.00 0.10 0.00 0.00 66.02 64.20 1jin s SER 227 CO 0.24 -2.55 1.66 0.00 0.98 0.00 0.00 173.24 173.57 1jin h ALA 228 N -1.50 0.12 -0.43 5.32 0.00 -1.99 -0.01 119.26 120.78 1jin h ALA 228 Ca -0.50 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1jin h ALA 228 Cb 1.31 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 1jin h ALA 228 CO 0.60 -0.52 0.23 -0.44 0.00 0.00 0.00 179.25 179.11 1jin h ASP 229 N -0.08 0.54 -0.55 0.00 3.32 -1.97 0.09 116.42 117.77 1jin h ASP 229 Ca 0.16 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.13 1jin h ASP 229 Cb 0.33 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1jin h ASP 229 CO -0.38 0.48 0.34 -0.33 -1.72 0.00 0.00 179.24 177.64 1jin h GLU 230 N 0.55 0.67 -0.35 3.56 5.08 -1.62 -0.15 114.58 122.32 1jin h GLU 230 Ca 0.15 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1jin h GLU 230 Cb 0.07 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1jin h GLU 230 CO -0.02 0.44 0.22 1.25 -1.00 0.00 0.00 179.01 179.90 1jin h LEU 231 N 0.69 0.41 -0.18 1.33 7.12 -0.62 -0.08 115.31 123.99 1jin h LEU 231 Ca 0.21 -0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.18 1jin h LEU 231 Cb -0.02 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 39.99 1jin h LEU 231 CO -0.07 0.33 0.10 0.74 -0.13 0.00 0.00 178.44 179.41 1jin h THR 232 N 0.46 1.10 -0.63 1.05 2.02 -0.38 -1.52 112.91 115.00 1jin h THR 232 Ca 0.13 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 1jin h THR 232 Cb -0.01 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1jin h THR 232 CO -0.03 0.09 0.03 -1.28 0.37 0.00 0.00 175.52 174.71 1jin h SER 233 N 0.20 1.06 -0.26 4.18 0.87 -0.81 -1.30 113.55 117.50 1jin h SER 233 Ca 0.07 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.33 1jin h SER 233 Cb 0.05 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 1jin h SER 233 CO -0.01 1.09 0.11 0.40 -0.53 0.00 0.00 176.83 177.89 1jin h ILE 234 N 1.00 1.16 -0.28 2.23 2.04 -0.87 -1.19 117.51 121.60 1jin h ILE 234 Ca 0.18 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1jin h ILE 234 Cb 0.53 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1jin h ILE 234 CO 0.03 0.16 0.17 0.00 0.00 0.00 0.00 178.15 178.51 1jin h ALA 235 N 0.96 0.35 -0.52 1.87 0.00 -1.08 0.10 119.26 120.93 1jin h ALA 235 Ca 0.09 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1jin h ALA 235 Cb 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1jin h ALA 235 CO -0.01 -0.20 0.30 1.25 0.00 0.00 0.00 179.25 180.59 1jin h LEU 236 N 0.35 0.47 -0.63 0.00 5.85 -1.10 -0.31 115.31 119.94 1jin h LEU 236 Ca 0.10 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 1jin h LEU 236 Cb -0.02 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1jin h LEU 236 CO -0.04 0.32 -0.15 0.58 -0.34 0.00 0.00 178.44 178.82 1jin h VAL 237 N 0.59 1.27 -0.33 1.05 2.07 -0.83 -0.64 116.25 119.42 1jin h VAL 237 Ca 0.22 -1.28 -0.13 0.00 0.82 0.00 0.00 66.70 66.33 1jin h VAL 237 Cb 0.07 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1jin h VAL 237 CO -0.12 0.44 -0.29 -0.07 0.02 0.00 0.00 177.57 177.56 1jin h LEU 238 N 0.82 0.83 -0.64 2.57 3.38 -0.52 -1.73 115.31 120.03 1jin h LEU 238 Ca 0.12 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 1jin h LEU 238 Cb 0.69 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1jin h LEU 238 CO 0.05 1.12 0.15 0.25 0.09 0.00 0.00 178.44 180.10 1jin h LEU 239 N 0.56 0.97 -0.09 1.67 5.85 -0.99 -1.82 115.31 121.46 1jin h LEU 239 Ca 0.06 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1jin h LEU 239 Cb 0.86 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 1jin h LEU 239 CO 0.07 0.95 0.06 0.25 -0.34 0.00 0.00 178.44 179.43 1jin h LEU 240 N 0.94 0.11 -0.43 2.25 5.85 -1.01 -1.17 115.31 121.85 1jin h LEU 240 Ca 0.20 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1jin h LEU 240 Cb 0.36 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1jin h LEU 240 CO 0.00 0.10 0.26 0.00 -0.34 0.00 0.00 178.44 178.46 1jin h ALA 241 N 1.01 0.54 -0.43 1.25 0.00 -1.17 -2.34 119.26 118.13 1jin h ALA 241 Ca 0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1jin h ALA 241 Cb 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1jin h ALA 241 CO -0.01 0.04 0.05 0.78 0.00 0.00 0.00 179.25 180.11 1jin h GLY 242 N 0.56 0.72 2.00 0.00 0.00 -1.18 0.18 103.07 105.34 1jin h GLY 242 Ca 0.15 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 1jin h GLY 242 CO -0.03 0.39 -0.52 0.74 0.00 0.00 0.00 176.54 177.13 1jin h PHE 243 N 0.64 0.00 0.00 5.60 0.04 -0.92 -3.39 116.94 118.92 1jin h PHE 243 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1jin h PHE 243 Cb 0.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1jin h PHE 243 CO 0.01 0.52 -0.93 0.39 -0.60 0.00 0.00 178.31 177.70 1jin n GLU 244 N -3.87 1.72 0.30 1.51 -0.58 -0.91 -4.75 120.64 114.07 1jin n GLU 244 Ca -0.01 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.56 1jin n GLU 244 Cb 0.54 -0.97 -0.08 0.00 -0.57 0.00 0.00 31.44 30.36 1jin n GLU 244 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jin h ALA 245 N 0.00 -0.86 0.00 0.62 0.00 -1.18 -3.05 119.26 114.80 1jin h ALA 245 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1jin h ALA 245 Cb 0.93 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1jin h ALA 245 CO 0.00 -1.00 -0.14 0.77 0.00 0.00 0.00 179.25 178.88 1jin h SER 246 N -0.84 0.00 -0.08 0.00 0.02 -1.81 -2.63 113.55 108.21 1jin h SER 246 Ca -0.06 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1jin h SER 246 Cb 0.70 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 1jin h SER 246 CO 0.05 0.14 0.03 0.58 -1.14 0.00 0.00 176.83 176.49 1jin h VAL 247 N 0.00 1.15 -0.47 2.27 2.07 -1.76 -0.61 116.25 118.90 1jin h VAL 247 Ca -0.00 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.14 1jin h VAL 247 Cb 0.36 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 1jin h VAL 247 CO 0.02 0.13 0.19 0.28 0.02 0.00 0.00 177.57 178.20 1jin h SER 248 N -0.03 0.23 0.23 0.57 0.02 -1.37 0.07 113.55 113.28 1jin h SER 248 Ca 0.03 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1jin h SER 248 Cb 0.17 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1jin h SER 248 CO -0.00 0.16 -0.11 0.25 -1.14 0.00 0.00 176.83 175.99 1jin h LEU 249 N 0.38 -0.26 -0.23 5.07 5.85 -1.29 0.53 115.31 125.36 1jin h LEU 249 Ca 0.22 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1jin h LEU 249 Cb 0.19 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1jin h LEU 249 CO -0.20 -0.19 0.14 0.40 -0.34 0.00 0.00 178.44 178.26 1jin h ILE 250 N -0.31 1.07 -0.26 4.05 2.04 -0.90 0.21 117.51 123.41 1jin h ILE 250 Ca -0.03 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1jin h ILE 250 Cb 0.24 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1jin h ILE 250 CO 0.05 0.07 0.00 1.23 0.00 0.00 0.00 178.15 179.51 1jin h GLY 251 N 0.29 0.50 0.94 5.37 0.00 -0.92 -0.14 103.07 109.12 1jin h GLY 251 Ca 0.08 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 1jin h GLY 251 CO -0.02 0.34 0.09 -2.22 0.00 0.00 0.00 176.54 174.73 1jin h ILE 252 N 0.24 1.23 -0.76 2.60 2.04 -0.84 -1.54 117.51 120.48 1jin h ILE 252 Ca 0.07 -0.82 0.04 0.00 1.00 0.00 0.00 64.86 65.16 1jin h ILE 252 Cb 0.42 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1jin h ILE 252 CO 0.01 0.29 0.47 1.23 0.00 0.00 0.00 178.15 180.15 1jin h GLY 253 N 0.54 1.12 1.00 5.37 0.00 -0.46 -0.07 103.07 110.57 1jin h GLY 253 Ca 0.13 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 1jin h GLY 253 CO 0.00 0.27 0.23 -0.84 0.00 0.00 0.00 176.54 176.20 1jin h THR 254 N 0.90 1.23 -0.40 4.70 2.02 -0.77 -2.03 112.91 118.56 1jin h THR 254 Ca 0.32 -0.73 -0.09 0.00 0.77 0.00 0.00 66.41 66.68 1jin h THR 254 Cb 0.08 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1jin h THR 254 CO -0.14 0.28 -0.11 0.22 0.37 0.00 0.00 175.52 176.15 1jin h TYR 255 N 0.82 0.78 -0.12 3.16 5.03 -0.45 -2.42 116.97 123.77 1jin h TYR 255 Ca 0.20 -0.14 -0.10 0.00 2.58 0.00 0.00 58.73 61.27 1jin h TYR 255 Cb 0.22 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.30 1jin h TYR 255 CO 0.01 0.79 -0.31 -0.07 -1.32 0.00 0.00 178.16 177.26 1jin h LEU 256 N 0.65 0.48 -0.79 2.82 3.38 -0.83 -2.16 115.31 118.86 1jin h LEU 256 Ca 0.11 -0.59 -0.08 0.00 0.09 0.00 0.00 57.88 57.41 1jin h LEU 256 Cb 0.56 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1jin h LEU 256 CO 0.04 0.98 0.05 -0.07 0.09 0.00 0.00 178.44 179.52 1jin h LEU 257 N -0.01 0.93 -0.86 1.67 3.38 -1.39 -1.03 115.31 118.00 1jin h LEU 257 Ca -0.01 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1jin h LEU 257 Cb 0.93 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1jin h LEU 257 CO 0.07 0.96 0.22 -0.07 0.09 0.00 0.00 178.44 179.71 1jin h LEU 258 N 0.90 0.99 -0.20 1.67 4.07 -1.47 -2.23 115.31 119.04 1jin h LEU 258 Ca 0.17 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1jin h LEU 258 Cb 0.46 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1jin h LEU 258 CO 0.02 0.92 -0.13 0.35 -1.08 0.00 0.00 178.44 178.52 1jin n THR 259 N -4.26 0.00 -3.46 0.22 -2.24 -0.81 -4.30 114.28 99.43 1jin n THR 259 Ca 0.06 -0.05 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 1jin n THR 259 Cb 0.22 -0.10 -0.09 0.00 -2.10 0.00 0.00 70.33 68.26 1jin n THR 259 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1jin n HIS 260 N -1.02 1.70 -0.27 4.78 8.25 -0.42 -4.97 115.22 123.26 1jin n HIS 260 Ca 0.13 -3.88 0.08 0.00 -0.26 0.00 0.00 57.72 53.79 1jin n HIS 260 Cb 0.29 -0.38 0.22 0.00 1.12 0.00 0.00 29.99 31.24 1jin n HIS 260 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1jin h PRO 261 N 4.63 0.22 -0.18 -0.41 0.11 -1.75 -0.11 132.00 134.52 1jin h PRO 261 Ca 0.17 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.31 1jin h PRO 261 Cb 0.78 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.79 1jin h PRO 261 CO 0.63 0.14 -0.13 0.38 -0.21 0.00 0.00 178.00 178.82 1jin h ASP 262 N 0.22 -0.40 -0.59 -2.05 3.04 -1.93 -0.17 116.42 114.55 1jin h ASP 262 Ca 0.47 0.09 -0.03 0.00 -3.24 0.00 0.00 57.03 54.32 1jin h ASP 262 Cb 0.86 0.21 -0.03 0.00 -1.04 0.00 0.00 39.33 39.34 1jin h ASP 262 CO -0.59 -0.16 0.25 1.56 -2.04 0.00 0.00 179.24 178.26 1jin h GLN 263 N -0.13 0.86 0.12 4.15 1.08 -1.40 -2.76 115.11 117.04 1jin h GLN 263 Ca 0.11 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1jin h GLN 263 Cb 0.28 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1jin h GLN 263 CO -0.26 0.72 -0.06 1.25 -0.95 0.00 0.00 178.83 179.54 1jin h LEU 264 N 0.81 -0.14 -1.24 1.46 5.85 -0.91 -2.68 115.31 118.46 1jin h LEU 264 Ca 0.20 -0.01 0.20 0.00 0.84 0.00 0.00 57.88 59.11 1jin h LEU 264 Cb 0.17 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.15 1jin h LEU 264 CO -0.02 -0.09 0.61 0.00 -0.34 0.00 0.00 178.44 178.61 1jin h ALA 265 N 0.71 1.92 -0.87 1.25 0.00 -0.85 0.20 119.26 121.63 1jin h ALA 265 Ca -0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1jin h ALA 265 Cb 0.13 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1jin h ALA 265 CO 0.03 -0.25 0.47 -0.07 0.00 0.00 0.00 179.25 179.43 1jin h LEU 266 N 0.61 1.08 -0.09 0.00 3.38 -1.20 -0.12 115.31 118.98 1jin h LEU 266 Ca 0.53 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.37 1jin h LEU 266 Cb 1.02 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1jin h LEU 266 CO -0.28 0.87 -0.06 0.58 0.09 0.00 0.00 178.44 179.63 1jin h VAL 267 N 1.21 1.34 -0.68 1.22 2.07 -0.49 0.49 116.25 121.41 1jin h VAL 267 Ca 0.30 -1.15 0.08 0.00 0.82 0.00 0.00 66.70 66.76 1jin h VAL 267 Cb 0.03 1.92 -0.07 0.00 -1.52 0.00 0.00 31.29 31.66 1jin h VAL 267 CO -0.05 0.32 0.34 0.03 0.02 0.00 0.00 177.57 178.23 1jin h ARG 268 N -0.20 0.58 -0.21 1.57 3.08 -0.85 -2.57 114.38 115.77 1jin h ARG 268 Ca 0.02 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.89 1jin h ARG 268 Cb 0.54 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1jin h ARG 268 CO 0.02 0.38 -0.42 0.00 -1.07 0.00 0.00 179.97 178.88 1jin h ALA 269 N 1.41 0.34 -3.65 0.04 0.00 -0.99 -3.41 119.26 113.00 1jin h ALA 269 Ca 0.33 -0.46 -0.65 0.00 0.00 0.00 0.00 54.91 54.14 1jin h ALA 269 Cb 0.32 -0.05 -0.39 0.00 0.00 0.00 0.00 17.79 17.67 1jin h ALA 269 CO -0.25 0.45 -0.75 0.34 0.00 0.00 0.00 179.25 179.04 1jin s ASP 270 N -6.66 4.50 0.41 0.00 2.15 0.16 -4.97 116.67 112.26 1jin s ASP 270 Ca -0.12 -1.83 0.13 0.00 0.43 0.00 0.00 52.55 51.15 1jin s ASP 270 Cb 0.08 -1.46 0.85 0.00 -0.30 0.00 0.00 42.92 42.09 1jin s ASP 270 CO 0.84 -0.33 1.91 1.55 -0.17 0.00 0.00 175.17 178.97 1jin h PRO 271 N 7.74 0.05 0.00 4.34 0.13 -1.77 -1.67 132.00 140.82 1jin h PRO 271 Ca -0.10 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1jin h PRO 271 Cb 1.03 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1jin h PRO 271 CO 0.49 0.29 0.00 -1.13 -0.23 0.00 0.00 178.00 177.42 1jin n SER 272 N -4.23 0.38 0.18 1.44 3.41 -1.26 -1.97 113.62 111.57 1jin n SER 272 Ca -0.02 0.61 0.06 0.00 -0.26 0.00 0.00 58.87 59.26 1jin n SER 272 Cb 0.31 -0.68 0.18 0.00 -0.26 0.00 0.00 64.21 63.76 1jin n SER 272 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jin h ALA 273 N 2.30 0.83 -0.62 7.33 0.00 -1.62 -3.37 119.26 124.11 1jin h ALA 273 Ca 0.00 -0.32 0.10 0.00 0.00 0.00 0.00 54.91 54.70 1jin h ALA 273 Cb 0.26 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 1jin h ALA 273 CO 0.00 0.43 0.22 1.25 0.00 0.00 0.00 179.25 181.15 1jin h LEU 274 N 0.00 0.20 -0.85 0.00 5.85 -1.53 -2.36 115.31 116.62 1jin h LEU 274 Ca -0.00 0.09 0.15 0.00 0.84 0.00 0.00 57.88 58.95 1jin h LEU 274 Cb 1.13 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.14 1jin h LEU 274 CO 0.05 0.11 0.44 -0.65 -0.34 0.00 0.00 178.44 178.05 1jin h PRO 275 N 0.39 0.61 0.00 5.25 0.11 -1.80 0.13 132.00 136.69 1jin h PRO 275 Ca 0.32 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.39 1jin h PRO 275 Cb 0.41 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1jin h PRO 275 CO -0.33 0.40 0.00 -0.97 -0.21 0.00 0.00 178.00 176.89 1jin h ASN 276 N 0.63 0.00 -0.42 -2.05 -1.24 -1.74 -3.01 115.58 107.75 1jin h ASN 276 Ca 0.46 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 57.34 1jin h ASN 276 Cb 0.65 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.69 1jin h ASN 276 CO -0.36 0.00 -0.27 0.00 -1.29 0.00 0.00 177.43 175.51 1jin h ALA 277 N 2.13 0.60 -0.68 1.57 0.00 -0.50 -1.59 119.26 120.78 1jin h ALA 277 Ca 0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1jin h ALA 277 Cb 0.88 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1jin h ALA 277 CO 0.00 0.62 0.12 0.28 0.00 0.00 0.00 179.25 180.27 1jin h VAL 278 N 0.75 1.26 -0.80 0.00 2.07 -1.19 -1.17 116.25 117.17 1jin h VAL 278 Ca 0.08 -1.03 -0.05 0.00 0.82 0.00 0.00 66.70 66.53 1jin h VAL 278 Cb 0.85 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1jin h VAL 278 CO 0.07 0.39 0.32 -0.33 0.02 0.00 0.00 177.57 178.05 1jin h GLU 279 N 1.05 1.20 -0.35 1.57 4.39 -1.39 -1.93 114.58 119.12 1jin h GLU 279 Ca 0.21 -0.22 -0.14 0.00 0.34 0.00 0.00 59.36 59.55 1jin h GLU 279 Cb 0.43 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1jin h GLU 279 CO 0.01 0.96 -0.35 1.49 -1.16 0.00 0.00 179.01 179.96 1jin h GLU 280 N 1.17 0.79 -0.58 2.33 4.57 -0.89 -2.13 114.58 119.84 1jin h GLU 280 Ca 0.27 -0.39 0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1jin h GLU 280 Cb 0.21 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 1jin h GLU 280 CO -0.02 1.02 0.39 0.82 -1.18 0.00 0.00 179.01 180.03 1jin h ILE 281 N 0.66 1.15 -0.63 2.32 2.04 -0.91 0.30 117.51 122.44 1jin h ILE 281 Ca 0.06 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 1jin h ILE 281 Cb 0.90 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1jin h ILE 281 CO 0.08 0.14 0.16 -0.07 0.00 0.00 0.00 178.15 178.47 1jin h LEU 282 N 0.79 0.91 -0.27 1.44 3.38 -1.24 -2.38 115.31 117.94 1jin h LEU 282 Ca 0.21 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 1jin h LEU 282 Cb -0.09 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.42 1jin h LEU 282 CO -0.05 0.88 -0.45 -0.09 0.09 0.00 0.00 178.44 178.82 1jin h ARG 283 N 0.93 0.77 0.56 1.13 2.43 -0.94 -2.87 114.38 116.40 1jin h ARG 283 Ca 0.20 -0.48 -0.03 0.00 -0.81 0.00 0.00 59.98 58.87 1jin h ARG 283 Cb 0.32 0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1jin h ARG 283 CO -0.00 1.11 -0.27 -0.92 -1.51 0.00 0.00 179.97 178.38 1jin h TYR 284 N 0.52 -0.69 -2.88 2.20 5.03 -0.79 -3.38 116.97 116.97 1jin h TYR 284 Ca 0.02 -0.02 -0.61 0.00 2.58 0.00 0.00 58.73 60.71 1jin h TYR 284 Cb 1.05 0.23 -0.40 0.00 1.55 0.00 0.00 36.73 39.16 1jin h TYR 284 CO 0.08 -0.40 -0.76 0.42 -1.32 0.00 0.00 178.16 176.18 1jin s ILE 285 N -5.74 1.35 0.10 1.81 1.01 -0.91 -4.97 121.20 113.85 1jin s ILE 285 Ca -0.16 -2.74 -0.31 0.00 0.00 0.00 0.00 60.65 57.44 1jin s ILE 285 Cb 0.03 -1.94 -0.08 0.00 0.01 0.00 0.00 42.46 40.48 1jin s ILE 285 CO 0.60 -0.97 1.54 0.00 0.00 0.00 0.00 174.94 176.11 1jin s ALA 286 N 0.12 3.68 0.09 9.38 0.00 -1.08 -4.69 121.76 129.25 1jin s ALA 286 Ca 0.21 1.19 -0.21 0.00 0.00 0.00 0.00 51.96 53.14 1jin s ALA 286 Cb -0.17 -3.63 -0.11 0.00 0.00 0.00 0.00 23.12 19.21 1jin s ALA 286 CO -0.05 -0.88 1.68 -1.35 0.00 0.00 0.00 175.76 175.16 1jin h PRO 287 N 7.50 0.16 -5.81 0.00 0.11 -1.83 -3.31 132.00 128.83 1jin h PRO 287 Ca -0.42 -0.02 -0.67 0.00 0.11 0.00 0.00 66.00 65.00 1jin h PRO 287 Cb 1.20 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.19 1jin h PRO 287 CO 0.91 0.19 2.04 -1.25 -0.21 0.00 0.00 178.00 179.68 1jin s PRO 288 N -5.84 3.94 0.34 1.05 0.04 -1.26 0.89 135.00 134.16 1jin s PRO 288 Ca -0.13 -1.92 0.06 0.00 0.04 0.00 0.00 61.00 59.05 1jin s PRO 288 Cb 0.07 -5.47 0.73 0.00 0.04 0.00 0.00 34.50 29.86 1jin s PRO 288 CO 0.68 -2.21 1.88 1.49 0.04 0.00 0.00 177.00 178.88 1jin h GLU 289 N 7.86 0.77 -4.33 4.56 4.81 -1.63 -3.40 114.58 123.22 1jin h GLU 289 Ca 0.40 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 59.37 1jin h GLU 289 Cb 0.89 -0.17 -0.20 0.00 0.63 0.00 0.00 28.75 29.90 1jin h GLU 289 CO 1.44 0.51 -0.71 0.95 -0.73 0.00 0.00 179.01 180.46 1jin s THR 290 N -5.75 0.36 0.15 0.32 -4.23 -0.84 -1.40 115.64 104.25 1jin s THR 290 Ca -0.10 -1.15 0.07 0.00 -1.18 0.00 0.00 61.69 59.33 1jin s THR 290 Cb 0.21 -0.64 -0.04 0.00 1.34 0.00 0.00 72.50 73.37 1jin s THR 290 CO 0.79 -0.52 -0.16 0.42 -0.54 0.00 0.00 174.62 174.61 1jin s THR 291 N -1.81 1.55 0.09 3.99 -4.23 -0.22 -4.77 115.64 110.23 1jin s THR 291 Ca -0.09 -1.85 0.08 0.00 -1.18 0.00 0.00 61.69 58.65 1jin s THR 291 Cb -0.07 -1.71 -0.04 0.00 1.34 0.00 0.00 72.50 72.02 1jin s THR 291 CO -0.01 -0.40 -0.16 -0.89 -0.54 0.00 0.00 174.62 172.61 1jin s THR 292 N -2.22 2.94 0.04 3.99 2.01 -1.26 -1.48 115.64 119.67 1jin s THR 292 Ca 0.13 -1.34 -0.03 0.00 0.31 0.00 0.00 61.69 60.76 1jin s THR 292 Cb -0.05 -2.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 1jin s THR 292 CO 0.05 0.19 0.03 -0.13 -0.69 0.00 0.00 174.62 174.07 1jin s ARG 293 N -1.90 0.58 -0.12 4.92 1.81 -0.36 -4.74 118.95 119.15 1jin s ARG 293 Ca 0.17 -0.94 0.02 0.00 -1.72 0.00 0.00 55.73 53.26 1jin s ARG 293 Cb -0.11 0.21 0.01 0.00 -0.45 0.00 0.00 34.95 34.62 1jin s ARG 293 CO 0.09 -0.13 -0.18 0.12 -0.68 0.00 0.00 175.30 174.52 1jin s PHE 294 N -3.09 2.26 -0.79 -0.53 2.19 0.75 -0.22 117.98 118.55 1jin s PHE 294 Ca -0.01 -1.08 -0.26 0.00 0.33 0.00 0.00 56.93 55.92 1jin s PHE 294 Cb 0.02 -1.58 0.01 0.00 -1.31 0.00 0.00 43.02 40.16 1jin s PHE 294 CO -0.07 -0.52 1.56 0.00 1.83 0.00 0.00 175.22 178.02 1jin s ALA 295 N 0.86 2.44 0.13 11.12 0.00 0.63 -0.04 121.76 136.90 1jin s ALA 295 Ca -0.08 -1.40 0.31 0.00 0.00 0.00 0.00 51.96 50.79 1jin s ALA 295 Cb -0.15 -4.37 1.28 0.00 0.00 0.00 0.00 23.12 19.87 1jin s ALA 295 CO -0.01 -3.73 1.96 0.00 0.00 0.00 0.00 175.76 173.98 1jin h ALA 296 N 11.40 1.02 -2.41 0.00 0.00 -1.68 0.57 119.26 128.17 1jin h ALA 296 Ca -0.12 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.49 1jin h ALA 296 Cb 1.06 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.70 1jin h ALA 296 CO 1.29 0.07 -0.64 -1.21 0.00 0.00 0.00 179.25 178.76 1jin s GLU 297 N -3.69 1.11 0.22 0.00 2.02 -1.25 -4.66 118.70 112.45 1jin s GLU 297 Ca 0.01 -1.56 -0.30 0.00 0.02 0.00 0.00 54.97 53.14 1jin s GLU 297 Cb 0.09 0.03 -0.09 0.00 0.10 0.00 0.00 34.13 34.27 1jin s GLU 297 CO 0.57 -0.26 1.23 -2.00 0.02 0.00 0.00 175.26 174.81 1jin s GLU 298 N -4.04 4.47 -0.02 1.61 2.12 -1.26 -4.37 118.70 117.21 1jin s GLU 298 Ca 0.30 1.96 0.02 0.00 0.36 0.00 0.00 54.97 57.60 1jin s GLU 298 Cb 0.07 -3.20 0.01 0.00 0.26 0.00 0.00 34.13 31.27 1jin s GLU 298 CO 0.07 -0.10 -0.06 0.08 -0.54 0.00 0.00 175.26 174.70 1jin s VAL 299 N -0.29 0.54 -0.28 3.70 1.01 -0.92 -4.95 120.40 119.20 1jin s VAL 299 Ca 0.52 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 1jin s VAL 299 Cb -0.34 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 1jin s VAL 299 CO 0.40 0.19 0.19 -0.70 0.00 0.00 0.00 175.10 175.17 1jin s GLU 300 N 0.37 3.88 -0.18 2.72 2.12 -1.26 -0.02 118.70 126.33 1jin s GLU 300 Ca -0.05 -0.36 0.01 0.00 0.36 0.00 0.00 54.97 54.93 1jin s GLU 300 Cb -0.09 -3.66 0.03 0.00 0.26 0.00 0.00 34.13 30.68 1jin s GLU 300 CO 0.00 -0.21 -0.13 0.42 -0.54 0.00 0.00 175.26 174.80 1jin s ILE 301 N 1.75 1.72 -1.45 -3.70 -1.09 0.36 -4.78 121.20 114.01 1jin s ILE 301 Ca 0.07 -0.92 -0.08 0.00 -2.23 0.00 0.00 60.65 57.50 1jin s ILE 301 Cb -0.16 -1.70 0.02 0.00 -1.58 0.00 0.00 42.46 39.04 1jin s ILE 301 CO 0.11 0.31 0.93 0.61 -1.23 0.00 0.00 174.94 175.67 1jin n GLY 302 N 4.69 -0.53 2.37 6.18 0.00 -1.26 -2.12 105.19 114.51 1jin n GLY 302 Ca -0.16 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1jin n GLY 302 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jin n GLY 303 N -1.78 0.97 3.44 -0.02 0.00 -1.26 -4.94 105.19 101.60 1jin n GLY 303 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1jin n GLY 303 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jin s VAL 304 N -3.54 3.45 -0.25 1.61 1.01 -0.90 -5.08 120.40 116.70 1jin s VAL 304 Ca 0.00 -0.52 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 1jin s VAL 304 Cb 0.00 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 1jin s VAL 304 CO 0.00 0.52 0.69 0.00 0.00 0.00 0.00 175.10 176.31 1jin s ALA 305 N 0.25 3.62 -0.35 5.51 0.00 -1.26 -0.49 121.76 129.05 1jin s ALA 305 Ca -0.06 -0.35 -0.17 0.00 0.00 0.00 0.00 51.96 51.38 1jin s ALA 305 Cb -0.15 -3.11 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 1jin s ALA 305 CO 0.04 -0.85 0.46 0.42 0.00 0.00 0.00 175.76 175.83 1jin s ILE 306 N 2.61 5.07 0.61 0.00 1.01 0.97 -4.97 121.20 126.50 1jin s ILE 306 Ca 0.29 0.24 -0.18 0.00 0.00 0.00 0.00 60.65 60.99 1jin s ILE 306 Cb -0.15 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 1jin s ILE 306 CO 0.08 -0.17 1.01 -0.81 0.00 0.00 0.00 174.94 175.05 1jin n PRO 307 N 5.61 0.93 -1.61 2.79 -0.04 -1.26 -2.17 135.00 139.24 1jin n PRO 307 Ca -0.06 0.36 -0.37 0.00 -0.04 0.00 0.00 63.50 63.39 1jin n PRO 307 Cb 0.49 -2.21 0.07 0.00 -0.04 0.00 0.00 33.50 31.81 1jin n PRO 307 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1jin n GLN 308 N -1.12 0.90 -1.49 0.54 7.27 -1.26 -2.62 117.38 119.60 1jin n GLN 308 Ca 0.14 0.36 -0.12 0.00 0.07 0.00 0.00 57.00 57.45 1jin n GLN 308 Cb 0.47 -2.35 -0.04 0.00 2.41 0.00 0.00 30.24 30.73 1jin n GLN 308 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1jin n TYR 309 N -2.01 -0.09 -3.15 3.69 4.01 0.20 -4.96 117.16 114.86 1jin n TYR 309 Ca 0.15 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.63 1jin n TYR 309 Cb 0.48 -2.30 -0.01 0.00 -0.31 0.00 0.00 39.34 37.20 1jin n TYR 309 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1jin s SER 310 N -2.81 6.31 -0.20 7.72 0.01 -1.08 -4.83 113.70 118.83 1jin s SER 310 Ca 0.00 0.64 -0.06 0.00 1.31 0.00 0.00 55.95 57.84 1jin s SER 310 Cb 0.00 -2.12 -0.03 0.00 0.21 0.00 0.00 66.02 64.08 1jin s SER 310 CO 0.00 -0.36 0.03 -0.89 0.41 0.00 0.00 173.24 172.43 1jin s THR 311 N -2.40 4.33 -0.13 1.44 2.01 -1.26 -0.27 115.64 119.36 1jin s THR 311 Ca 0.43 -0.19 -0.02 0.00 0.31 0.00 0.00 61.69 62.22 1jin s THR 311 Cb -0.10 -2.96 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 1jin s THR 311 CO 0.37 0.43 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.98 1jin s VAL 312 N 0.80 3.65 -0.43 3.82 1.01 0.69 -1.13 120.40 128.82 1jin s VAL 312 Ca 0.02 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 1jin s VAL 312 Cb -0.14 -2.57 0.11 0.00 0.00 0.00 0.00 36.38 33.79 1jin s VAL 312 CO 0.02 0.52 0.24 -0.76 0.00 0.00 0.00 175.10 175.12 1jin s LEU 313 N 0.15 5.35 -0.30 3.92 1.43 0.31 -1.22 118.68 128.31 1jin s LEU 313 Ca -0.03 -2.02 -0.29 0.00 -1.03 0.00 0.00 54.13 50.76 1jin s LEU 313 Cb -0.14 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.22 1jin s LEU 313 CO 0.03 -0.57 1.12 -0.69 0.23 0.00 0.00 176.35 176.47 1jin s VAL 314 N 1.16 4.44 -1.14 -1.59 1.01 -0.55 -1.67 120.40 122.07 1jin s VAL 314 Ca 0.08 1.67 -0.17 0.00 0.00 0.00 0.00 61.98 63.56 1jin s VAL 314 Cb -0.23 -4.34 0.12 0.00 0.00 0.00 0.00 36.38 31.93 1jin s VAL 314 CO -0.04 -0.44 1.44 0.00 0.00 0.00 0.00 175.10 176.06 1jin s ALA 315 N 3.73 3.55 0.32 5.51 0.00 -0.46 -1.06 121.76 133.35 1jin s ALA 315 Ca 0.48 -2.99 0.09 0.00 0.00 0.00 0.00 51.96 49.54 1jin s ALA 315 Cb -0.14 -4.28 0.89 0.00 0.00 0.00 0.00 23.12 19.60 1jin s ALA 315 CO 0.16 -3.04 1.72 -0.91 0.00 0.00 0.00 175.76 173.69 1jin h ASN 316 N 7.95 0.63 0.23 0.00 4.21 -1.44 -0.68 115.58 126.47 1jin h ASN 316 Ca 0.30 0.14 -0.12 0.00 1.21 0.00 0.00 56.30 57.83 1jin h ASN 316 Cb 0.92 0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 38.16 1jin h ASN 316 CO 1.28 0.07 -0.45 1.23 -1.29 0.00 0.00 177.43 178.27 1jin h GLY 317 N 0.54 0.30 1.24 2.83 0.00 -1.71 -2.63 103.07 103.63 1jin h GLY 317 Ca 0.65 -0.30 -0.22 0.00 0.00 0.00 0.00 47.33 47.45 1jin h GLY 317 CO -0.49 0.27 -0.79 0.00 0.00 0.00 0.00 176.54 175.53 1jin h ALA 318 N 1.31 0.33 -0.48 3.60 0.00 -1.41 -3.09 119.26 119.52 1jin h ALA 318 Ca 0.02 -0.61 0.04 0.00 0.00 0.00 0.00 54.91 54.35 1jin h ALA 318 Cb 0.89 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1jin h ALA 318 CO 0.07 0.70 0.32 0.00 0.00 0.00 0.00 179.25 180.34 1jin h ALA 319 N 0.59 1.81 0.00 0.00 0.00 -1.25 -0.55 119.26 119.87 1jin h ALA 319 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1jin h ALA 319 Cb 1.42 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1jin h ALA 319 CO 0.16 0.13 0.00 0.09 0.00 0.00 0.00 179.25 179.63 1jin n ASN 320 N -4.48 0.06 -0.59 0.00 3.02 -1.00 -2.90 115.26 109.37 1jin n ASN 320 Ca 0.06 0.51 0.06 0.00 -0.03 0.00 0.00 54.58 55.17 1jin n ASN 320 Cb 0.17 -0.53 0.19 0.00 -0.61 0.00 0.00 39.78 39.00 1jin n ASN 320 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1jin n ARG 321 N -1.56 1.76 -3.06 3.52 5.12 -0.22 -4.85 116.66 117.36 1jin n ARG 321 Ca 0.05 -2.96 -0.41 0.00 -1.93 0.00 0.00 57.85 52.59 1jin n ARG 321 Cb 0.24 -1.66 -0.06 0.00 -1.16 0.00 0.00 32.46 29.82 1jin n ARG 321 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1jin s ASP 322 N -2.76 6.56 0.51 0.55 3.68 -1.14 -4.74 116.67 119.32 1jin s ASP 322 Ca 0.38 0.53 0.24 0.00 2.13 0.00 0.00 52.55 55.82 1jin s ASP 322 Cb 0.34 -2.35 1.32 0.00 -1.45 0.00 0.00 42.92 40.78 1jin s ASP 322 CO 0.00 -0.51 1.97 1.55 0.13 0.00 0.00 175.17 178.31 1jin h PRO 323 N 8.13 0.09 -0.36 4.34 0.13 -1.92 0.66 132.00 143.07 1jin h PRO 323 Ca -0.26 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1jin h PRO 323 Cb 1.11 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1jin h PRO 323 CO 0.82 0.06 0.24 0.77 -0.23 0.00 0.00 178.00 179.66 1jin h SER 324 N 0.10 0.42 0.01 1.44 0.02 -1.98 -3.20 113.55 110.35 1jin h SER 324 Ca 0.29 -0.01 -0.41 0.00 -0.84 0.00 0.00 61.79 60.82 1jin h SER 324 Cb 1.02 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 63.39 1jin h SER 324 CO -0.03 0.31 -2.44 1.67 -1.14 0.00 0.00 176.83 175.20 1jin n GLN 325 N -4.48 0.63 -3.97 3.45 -0.06 -0.31 -4.87 117.38 107.77 1jin n GLN 325 Ca 0.02 0.21 -0.31 0.00 -2.00 0.00 0.00 57.00 54.92 1jin n GLN 325 Cb 0.06 -1.53 -0.15 0.00 -4.06 0.00 0.00 30.24 24.56 1jin n GLN 325 CO 0.00 0.00 0.00 -0.06 -0.20 0.00 0.00 177.06 176.80 1jin s PHE 326 N -2.51 3.05 0.22 3.69 0.08 0.07 -5.08 117.98 117.50 1jin s PHE 326 Ca -0.35 -2.38 -0.31 0.00 0.12 0.00 0.00 56.93 54.01 1jin s PHE 326 Cb 0.11 -2.22 -0.10 0.00 -0.57 0.00 0.00 43.02 40.23 1jin s PHE 326 CO 0.57 -0.88 1.54 -1.25 -0.10 0.00 0.00 175.22 175.10 1jin s PRO 327 N 1.16 4.21 -1.23 0.24 0.04 -1.22 -2.32 135.00 135.88 1jin s PRO 327 Ca 0.02 2.40 -0.01 0.00 0.04 0.00 0.00 61.00 63.45 1jin s PRO 327 Cb -0.19 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.23 1jin s PRO 327 CO -0.09 -0.56 0.85 -3.47 0.04 0.00 0.00 177.00 173.77 1jin n ASP 328 N 3.07 -2.23 -0.14 6.66 4.64 -1.26 -4.86 116.55 122.44 1jin n ASP 328 Ca 0.10 -0.73 0.21 0.00 -1.38 0.00 0.00 54.79 53.00 1jin n ASP 328 Cb 0.39 -4.60 0.62 0.00 -1.04 0.00 0.00 41.12 36.49 1jin n ASP 328 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1jin h PRO 329 N -1.81 0.18 0.00 -0.67 0.13 -1.75 0.19 132.00 128.26 1jin h PRO 329 Ca -0.60 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1jin h PRO 329 Cb 1.35 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1jin h PRO 329 CO 0.52 0.12 0.00 0.72 -0.23 0.00 0.00 178.00 179.13 1jin n HIS 330 N -4.40 0.00 -3.55 1.56 8.25 -1.26 -4.67 115.22 111.15 1jin n HIS 330 Ca 0.15 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.21 1jin n HIS 330 Cb 0.72 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.72 1jin n HIS 330 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1jin s ARG 331 N -2.00 3.34 -0.45 -0.41 3.52 0.66 -5.03 118.95 118.58 1jin s ARG 331 Ca 0.09 -0.74 -0.29 0.00 -0.13 0.00 0.00 55.73 54.66 1jin s ARG 331 Cb 0.04 -3.77 0.01 0.00 -1.56 0.00 0.00 34.95 29.67 1jin s ARG 331 CO 0.07 -0.50 1.37 0.12 -0.81 0.00 0.00 175.30 175.55 1jin s PHE 332 N 1.68 2.45 -0.17 5.12 5.36 -1.26 -4.95 117.98 126.21 1jin s PHE 332 Ca 0.05 0.65 -0.02 0.00 -0.96 0.00 0.00 56.93 56.65 1jin s PHE 332 Cb -0.18 -4.35 0.05 0.00 -0.34 0.00 0.00 43.02 38.21 1jin s PHE 332 CO 0.09 -1.86 0.03 0.34 -1.46 0.00 0.00 175.22 172.36 1jin s ASP 333 N 3.76 2.69 0.36 6.13 2.15 -1.26 -4.97 116.67 125.54 1jin s ASP 333 Ca 0.58 -0.70 0.26 0.00 0.43 0.00 0.00 52.55 53.13 1jin s ASP 333 Cb -0.12 -0.59 1.25 0.00 -0.30 0.00 0.00 42.92 43.16 1jin s ASP 333 CO 0.32 -0.28 1.80 0.58 -0.17 0.00 0.00 175.17 177.41 1jin h VAL 334 N 6.48 0.00 0.00 1.11 2.07 -1.92 -2.50 116.25 121.48 1jin h VAL 334 Ca -0.17 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 1jin h VAL 334 Cb 1.12 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1jin h VAL 334 CO 0.33 0.00 -1.47 0.35 0.02 0.00 0.00 177.57 176.80 1jin n THR 335 N -2.44 0.67 -1.13 2.57 -2.24 -1.26 -4.35 114.28 106.09 1jin n THR 335 Ca 0.00 -0.60 -0.36 0.00 -2.27 0.00 0.00 64.05 60.83 1jin n THR 335 Cb 0.15 -0.37 0.07 0.00 -2.10 0.00 0.00 70.33 68.09 1jin n THR 335 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1jin n ARG 336 N -2.63 0.12 -2.75 -0.78 0.63 -0.94 -4.90 116.66 105.41 1jin n ARG 336 Ca -0.06 0.08 -0.42 0.00 -0.92 0.00 0.00 57.85 56.52 1jin n ARG 336 Cb 0.68 -1.70 -0.04 0.00 0.45 0.00 0.00 32.46 31.85 1jin n ARG 336 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1jin s ASP 337 N -1.51 6.18 0.00 6.15 2.15 -1.26 -4.85 116.67 123.52 1jin s ASP 337 Ca 0.61 -0.83 0.22 0.00 0.43 0.00 0.00 52.55 52.98 1jin s ASP 337 Cb -0.31 -2.47 1.03 0.00 -0.30 0.00 0.00 42.92 40.87 1jin s ASP 337 CO 0.63 -1.57 1.70 0.35 -0.17 0.00 0.00 175.17 176.10 1jin n THR 338 N 6.08 0.09 -1.67 1.71 -2.24 -1.26 -4.94 114.28 112.05 1jin n THR 338 Ca -0.01 -0.18 -0.44 0.00 -2.27 0.00 0.00 64.05 61.15 1jin n THR 338 Cb 0.47 0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.75 1jin n THR 338 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1jin n ARG 339 N -0.22 1.94 -0.53 -0.78 1.74 -1.26 -2.60 116.66 114.95 1jin n ARG 339 Ca 0.17 0.68 0.00 0.00 -0.77 0.00 0.00 57.85 57.93 1jin n ARG 339 Cb 0.22 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.40 1jin n ARG 339 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jin n GLY 340 N 1.42 1.01 3.70 -0.13 0.00 -1.26 -5.05 105.19 104.88 1jin n GLY 340 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1jin n GLY 340 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1jin s HIS 341 N -3.17 1.86 -0.56 1.61 -3.43 -1.07 -4.94 115.29 105.59 1jin s HIS 341 Ca 0.00 1.72 0.16 0.00 -0.80 0.00 0.00 55.06 56.14 1jin s HIS 341 Cb 0.00 -3.31 0.65 0.00 -1.43 0.00 0.00 32.58 28.49 1jin s HIS 341 CO 0.00 -2.60 1.56 1.28 -2.00 0.00 0.00 174.74 172.99 1jin n LEU 342 N -3.87 4.59 0.28 5.38 4.77 -1.26 -4.62 117.00 122.27 1jin n LEU 342 Ca 0.12 -2.72 0.16 0.00 -0.03 0.00 0.00 56.01 53.54 1jin n LEU 342 Cb 0.52 -0.56 0.75 0.00 -2.33 0.00 0.00 43.42 41.79 1jin n LEU 342 CO 0.50 0.71 0.99 0.28 -1.33 0.00 0.00 177.39 178.54 1jin h SER 343 N 3.14 0.00 -0.45 -1.43 0.02 -1.86 -2.39 113.55 110.58 1jin h SER 343 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jin h SER 343 Cb 1.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.07 1jin h SER 343 CO 0.28 0.06 0.00 0.49 -1.14 0.00 0.00 176.83 176.52 1jin n PHE 344 N -3.26 0.74 -0.47 3.45 0.99 -1.26 -4.79 117.46 112.86 1jin n PHE 344 Ca -0.01 -0.56 0.00 0.00 -0.00 0.00 0.00 57.45 56.89 1jin n PHE 344 Cb 0.27 -0.08 0.00 0.00 -1.00 0.00 0.00 39.48 38.67 1jin n PHE 344 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1jin n GLY 345 N 0.70 -1.78 3.64 1.37 0.00 -0.90 -0.17 105.19 108.05 1jin n GLY 345 Ca 0.17 -1.96 -0.03 0.00 0.00 0.00 0.00 46.02 44.19 1jin n GLY 345 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jin s GLN 346 N 0.00 0.36 1.02 1.61 2.00 -1.26 -4.70 119.66 118.69 1jin s GLN 346 Ca 0.00 0.56 0.00 0.00 -2.00 0.00 0.00 55.36 53.92 1jin s GLN 346 Cb 0.00 0.10 0.00 0.00 0.80 0.00 0.00 33.01 33.91 1jin s GLN 346 CO 0.00 -0.06 0.00 0.41 -0.50 0.00 0.00 175.29 175.14 1jin n GLY 347 N 3.20 -0.52 0.28 2.59 0.00 -1.26 -4.34 105.19 105.14 1jin n GLY 347 Ca -0.17 -1.61 0.15 0.00 0.00 0.00 0.00 46.02 44.40 1jin n GLY 347 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1jin h ILE 348 N 0.00 0.43 -0.59 -0.61 3.07 -1.97 -2.64 117.51 115.20 1jin h ILE 348 Ca 0.00 -0.33 -0.04 0.00 1.55 0.00 0.00 64.86 66.05 1jin h ILE 348 Cb 0.00 1.22 -0.02 0.00 -0.27 0.00 0.00 36.82 37.75 1jin h ILE 348 CO 0.00 0.06 0.05 1.41 -1.05 0.00 0.00 178.15 178.62 1jin n HIS 349 N -3.57 2.09 -1.62 0.16 8.25 -1.26 -4.99 115.22 114.28 1jin n HIS 349 Ca -0.02 -0.78 -0.48 0.00 -0.26 0.00 0.00 57.72 56.18 1jin n HIS 349 Cb 0.18 -0.53 -0.04 0.00 1.12 0.00 0.00 29.99 30.71 1jin n HIS 349 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1jin n PHE 350 N 0.48 1.74 -1.53 4.41 -0.00 -1.00 -4.73 117.46 116.83 1jin n PHE 350 Ca 0.29 0.53 -0.54 0.00 -0.00 0.00 0.00 57.45 57.73 1jin n PHE 350 Cb 1.20 -2.38 -0.08 0.00 -0.00 0.00 0.00 39.48 38.22 1jin n PHE 350 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1jin n MET 352 N 7.00 1.15 -0.20 0.00 0.00 -1.26 -3.13 117.12 120.68 1jin n MET 352 Ca 0.37 -0.22 0.10 0.00 0.00 0.00 0.00 57.70 57.95 1jin n MET 352 Cb 0.16 -1.35 0.20 0.00 0.00 0.00 0.00 33.22 32.23 1jin n MET 352 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jin n GLY 353 N 0.90 1.83 0.25 3.17 0.00 -1.26 -4.57 105.19 105.50 1jin n GLY 353 Ca 0.16 -0.64 0.03 0.00 0.00 0.00 0.00 46.02 45.57 1jin n GLY 353 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1jin h ARG 354 N 3.74 0.12 -0.66 1.61 2.43 -1.94 0.02 114.38 119.70 1jin h ARG 354 Ca 0.00 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1jin h ARG 354 Cb 0.88 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.36 1jin h ARG 354 CO 0.00 0.08 0.38 -1.35 -1.51 0.00 0.00 179.97 177.57 1jin h PRO 355 N 0.13 0.70 -0.24 0.20 0.11 -1.88 -0.61 132.00 130.40 1jin h PRO 355 Ca 0.36 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.39 1jin h PRO 355 Cb 0.61 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1jin h PRO 355 CO -0.58 0.46 -0.02 1.25 -0.21 0.00 0.00 178.00 178.91 1jin h LEU 356 N 0.72 0.44 -0.75 2.35 5.85 -1.55 -1.81 115.31 120.56 1jin h LEU 356 Ca 0.29 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1jin h LEU 356 Cb 0.14 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 1jin h LEU 356 CO -0.16 0.66 0.48 0.00 -0.34 0.00 0.00 178.44 179.08 1jin h ALA 357 N 0.79 0.98 -0.27 1.25 0.00 -0.65 -1.33 119.26 120.03 1jin h ALA 357 Ca 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1jin h ALA 357 Cb 0.44 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1jin h ALA 357 CO 0.02 0.28 0.02 0.87 0.00 0.00 0.00 179.25 180.44 1jin h LYS 358 N 0.94 0.47 0.34 0.00 1.79 -1.03 -0.83 116.57 118.24 1jin h LYS 358 Ca 0.30 -0.14 -0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1jin h LYS 358 Cb 0.00 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 1jin h LYS 358 CO -0.11 0.61 -0.28 1.25 -1.08 0.00 0.00 179.45 179.84 1jin h LEU 359 N 0.27 -0.74 -0.65 2.94 5.85 -0.99 -1.23 115.31 120.76 1jin h LEU 359 Ca 0.08 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1jin h LEU 359 Cb 0.38 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1jin h LEU 359 CO 0.01 -0.42 0.41 -0.33 -0.34 0.00 0.00 178.44 177.77 1jin h GLU 360 N -0.63 0.80 -0.06 1.25 5.08 -1.27 -1.68 114.58 118.07 1jin h GLU 360 Ca -0.02 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1jin h GLU 360 Cb 0.56 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1jin h GLU 360 CO -0.02 0.53 0.03 0.78 -1.00 0.00 0.00 179.01 179.33 1jin h GLY 361 N 0.83 0.08 0.84 -3.84 0.00 -0.96 -1.79 103.07 98.23 1jin h GLY 361 Ca 0.25 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1jin h GLY 361 CO -0.08 0.03 -0.13 0.83 0.00 0.00 0.00 176.54 177.20 1jin h GLU 362 N 0.02 -0.34 -0.63 4.80 5.08 -1.11 -2.25 114.58 120.15 1jin h GLU 362 Ca 0.02 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1jin h GLU 362 Cb 0.06 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1jin h GLU 362 CO -0.00 -0.12 0.35 0.28 -1.00 0.00 0.00 179.01 178.52 1jin h VAL 363 N -0.51 0.97 0.37 3.13 2.07 -1.35 -1.02 116.25 119.92 1jin h VAL 363 Ca -0.04 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1jin h VAL 363 Cb 0.38 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1jin h VAL 363 CO 0.06 0.12 -0.18 0.00 0.02 0.00 0.00 177.57 177.59 1jin h ALA 364 N 1.32 -0.50 -0.32 1.67 0.00 -1.32 -1.26 119.26 118.86 1jin h ALA 364 Ca 0.28 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1jin h ALA 364 Cb 0.16 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1jin h ALA 364 CO -0.17 -0.69 -0.07 -0.07 0.00 0.00 0.00 179.25 178.25 1jin h LEU 365 N -0.68 0.50 -0.06 0.00 3.38 -1.36 0.14 115.31 117.22 1jin h LEU 365 Ca -0.05 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1jin h LEU 365 Cb 0.48 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1jin h LEU 365 CO 0.08 0.63 0.04 -0.09 0.09 0.00 0.00 178.44 179.19 1jin h ARG 366 N 0.49 0.09 -0.18 1.13 2.43 -1.11 -1.60 114.38 115.64 1jin h ARG 366 Ca 0.10 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1jin h ARG 366 Cb 0.44 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1jin h ARG 366 CO 0.02 0.14 -0.04 0.00 -1.51 0.00 0.00 179.97 178.58 1jin h ALA 367 N 0.94 0.24 0.27 2.80 0.00 -0.95 0.11 119.26 122.68 1jin h ALA 367 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1jin h ALA 367 Cb 0.08 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1jin h ALA 367 CO -0.00 0.01 -0.45 1.25 0.00 0.00 0.00 179.25 180.05 1jin h LEU 368 N 0.05 -1.30 -0.74 0.00 6.46 -0.68 -0.42 115.31 118.67 1jin h LEU 368 Ca 0.04 0.13 -0.13 0.00 -0.12 0.00 0.00 57.88 57.80 1jin h LEU 368 Cb 0.48 0.46 -0.02 0.00 -0.73 0.00 0.00 40.66 40.85 1jin h LEU 368 CO 0.02 -0.56 -0.61 -0.26 -0.62 0.00 0.00 178.44 176.41 1jin h PHE 369 N -0.79 0.07 0.00 1.25 -1.00 -1.33 -1.54 116.94 113.60 1jin h PHE 369 Ca -0.01 -0.03 -0.14 0.00 2.81 0.00 0.00 57.97 60.60 1jin h PHE 369 Cb 0.75 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.28 1jin h PHE 369 CO -0.32 0.65 -0.66 0.78 -1.61 0.00 0.00 178.31 177.15 1jin h GLY 370 N 1.76 0.00 1.30 -1.45 0.00 -0.67 -3.26 103.07 100.75 1jin h GLY 370 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.01 1jin h GLY 370 CO 0.08 0.00 -1.48 -0.09 0.00 0.00 0.00 176.54 175.06 1jin h ARG 371 N 0.00 0.35 -3.15 4.80 9.65 -0.99 -3.40 114.38 121.64 1jin h ARG 371 Ca -0.01 -0.61 -0.64 0.00 -1.10 0.00 0.00 59.98 57.62 1jin h ARG 371 Cb 1.25 0.23 -0.40 0.00 -1.39 0.00 0.00 29.97 29.65 1jin h ARG 371 CO 0.09 1.26 -0.45 -0.06 2.80 0.00 0.00 179.97 183.61 1jin s PHE 372 N -2.62 3.66 -1.27 2.20 0.08 -0.59 -4.93 117.98 114.51 1jin s PHE 372 Ca -0.09 -3.26 0.04 0.00 0.12 0.00 0.00 56.93 53.74 1jin s PHE 372 Cb 0.06 -2.85 0.18 0.00 -0.57 0.00 0.00 43.02 39.83 1jin s PHE 372 CO 0.89 -0.60 1.01 -0.35 -0.10 0.00 0.00 175.22 176.07 1jin n PRO 373 N 2.08 0.03 -0.03 0.24 -0.04 -1.24 -1.83 135.00 134.22 1jin n PRO 373 Ca 0.20 0.32 0.02 0.00 -0.04 0.00 0.00 63.50 64.00 1jin n PRO 373 Cb 0.35 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.35 1jin n PRO 373 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jin n ALA 374 N -1.36 2.32 -1.60 0.55 0.00 -1.26 -5.05 120.51 114.10 1jin n ALA 374 Ca 0.01 -0.75 -0.55 0.00 0.00 0.00 0.00 53.44 52.15 1jin n ALA 374 Cb 0.03 -0.16 -0.07 0.00 0.00 0.00 0.00 19.45 19.26 1jin n ALA 374 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1jin n LEU 375 N 0.11 1.46 -4.20 0.00 7.94 -0.76 -4.27 117.00 117.28 1jin n LEU 375 Ca 0.03 1.12 -0.12 0.00 -1.11 0.00 0.00 56.01 55.94 1jin n LEU 375 Cb 0.20 -1.12 -0.10 0.00 0.53 0.00 0.00 43.42 42.93 1jin n LEU 375 CO 0.03 -1.08 -0.30 -0.94 -1.11 0.00 0.00 177.39 173.99 1jin s SER 376 N 1.04 0.67 0.20 1.96 1.04 -0.47 -4.99 113.70 113.16 1jin s SER 376 Ca 0.89 -1.23 -0.30 0.00 0.48 0.00 0.00 55.95 55.79 1jin s SER 376 Cb -1.05 0.23 -0.08 0.00 0.10 0.00 0.00 66.02 65.22 1jin s SER 376 CO 0.53 -0.69 1.08 -0.22 0.98 0.00 0.00 173.24 174.93 1jin s LEU 377 N -3.13 4.51 0.15 2.42 2.96 -1.26 -0.13 118.68 124.21 1jin s LEU 377 Ca 0.27 2.11 0.26 0.00 -0.22 0.00 0.00 54.13 56.55 1jin s LEU 377 Cb 0.07 -3.61 0.73 0.00 0.50 0.00 0.00 46.19 43.88 1jin s LEU 377 CO 0.05 -0.17 1.67 0.61 -1.32 0.00 0.00 176.35 177.18 1jin n GLY 378 N 1.83 -1.59 3.58 7.98 0.00 0.17 -4.60 105.19 112.56 1jin n GLY 378 Ca 0.02 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 1jin n GLY 378 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1jin s ILE 379 N -3.10 0.80 -0.02 -0.61 -4.36 -1.26 -4.96 121.20 107.69 1jin s ILE 379 Ca 0.10 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.19 1jin s ILE 379 Cb 0.14 -2.32 -0.03 0.00 1.25 0.00 0.00 42.46 41.49 1jin s ILE 379 CO 0.62 0.00 1.10 -0.62 0.24 0.00 0.00 174.94 176.28 1jin s ASP 380 N -3.68 7.19 0.41 4.36 -1.08 -1.26 -4.91 116.67 117.70 1jin s ASP 380 Ca 0.19 1.76 0.25 0.00 -0.52 0.00 0.00 52.55 54.24 1jin s ASP 380 Cb 0.03 -2.57 1.32 0.00 -1.46 0.00 0.00 42.92 40.24 1jin s ASP 380 CO 0.11 -0.43 1.65 0.00 0.52 0.00 0.00 175.17 177.02 1jin h ALA 381 N 7.03 2.51 0.00 3.66 0.00 -1.99 0.68 119.26 131.14 1jin h ALA 381 Ca -0.37 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1jin h ALA 381 Cb 1.19 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1jin h ALA 381 CO 0.82 -1.11 -0.16 -0.44 0.00 0.00 0.00 179.25 178.36 1jin h ASP 382 N 0.16 0.00 -0.01 0.00 3.32 -2.06 -3.03 116.42 114.80 1jin h ASP 382 Ca 0.77 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.82 1jin h ASP 382 Cb 2.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.80 1jin h ASP 382 CO -0.45 0.16 0.00 0.47 -1.72 0.00 0.00 179.24 177.71 1jin n ASP 383 N -3.31 0.75 -4.74 6.45 9.92 0.24 -4.90 116.55 120.95 1jin n ASP 383 Ca 0.00 -1.27 -0.41 0.00 -0.53 0.00 0.00 54.79 52.58 1jin n ASP 383 Cb 0.40 -0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.85 1jin n ASP 383 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1jin s VAL 384 N -1.99 2.83 -0.27 2.53 1.01 -1.15 -4.96 120.40 118.40 1jin s VAL 384 Ca 0.42 0.67 -0.14 0.00 0.00 0.00 0.00 61.98 62.93 1jin s VAL 384 Cb 0.21 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1jin s VAL 384 CO 0.34 0.09 0.33 0.68 0.00 0.00 0.00 175.10 176.55 1jin s VAL 385 N 0.25 5.20 -0.05 2.92 -7.23 -1.26 -5.06 120.40 115.17 1jin s VAL 385 Ca 0.60 0.47 -0.19 0.00 -1.81 0.00 0.00 61.98 61.05 1jin s VAL 385 Cb -0.40 -3.66 -0.05 0.00 0.56 0.00 0.00 36.38 32.82 1jin s VAL 385 CO 0.40 0.17 0.53 0.26 -0.31 0.00 0.00 175.10 176.15 1jin s TRP 386 N 2.00 3.61 0.25 2.82 0.52 -1.26 -4.43 118.94 122.46 1jin s TRP 386 Ca 0.13 1.05 -0.31 0.00 0.02 0.00 0.00 56.10 57.00 1jin s TRP 386 Cb -0.16 -2.56 -0.11 0.00 -1.15 0.00 0.00 33.47 29.49 1jin s TRP 386 CO 0.10 0.30 1.59 0.50 0.02 0.00 0.00 176.95 179.46 1jin s ARG 387 N 0.08 4.16 -1.27 4.98 3.52 0.40 -4.89 118.95 125.94 1jin s ARG 387 Ca 0.28 2.51 -0.15 0.00 -0.13 0.00 0.00 55.73 58.24 1jin s ARG 387 Cb -0.17 -3.06 0.12 0.00 -1.56 0.00 0.00 34.95 30.28 1jin s ARG 387 CO 0.14 -0.61 1.63 0.54 -0.81 0.00 0.00 175.30 176.19 1jin n ARG 388 N 2.74 3.28 -3.73 5.12 1.74 -1.26 -4.49 116.66 120.06 1jin n ARG 388 Ca 0.10 -3.52 -0.12 0.00 -0.77 0.00 0.00 57.85 53.54 1jin n ARG 388 Cb 0.38 -3.26 -0.12 0.00 -1.02 0.00 0.00 32.46 28.44 1jin n ARG 388 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1jin s SER 389 N 3.39 -0.32 0.00 0.55 0.15 -1.26 -4.64 113.70 111.57 1jin s SER 389 Ca 0.48 0.61 0.24 0.00 0.70 0.00 0.00 55.95 57.97 1jin s SER 389 Cb 0.02 0.52 0.25 0.00 -1.71 0.00 0.00 66.02 65.09 1jin s SER 389 CO 0.03 -0.16 1.23 0.18 1.20 0.00 0.00 173.24 175.73 1jin n LEU 390 N 3.96 0.79 -0.04 3.45 4.77 -1.26 -3.85 117.00 124.81 1jin n LEU 390 Ca -0.22 -0.23 -0.15 0.00 -0.03 0.00 0.00 56.01 55.38 1jin n LEU 390 Cb 0.54 -0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 41.37 1jin n LEU 390 CO 0.14 0.19 0.40 0.25 -1.33 0.00 0.00 177.39 177.03 1jin h LEU 391 N 0.21 0.09 -6.45 2.23 5.85 -1.86 -2.23 115.31 113.15 1jin h LEU 391 Ca 0.00 -0.87 -0.25 0.00 0.84 0.00 0.00 57.88 57.60 1jin h LEU 391 Cb 0.51 -0.03 -0.31 0.00 0.37 0.00 0.00 40.66 41.20 1jin h LEU 391 CO 0.00 0.95 -0.58 -0.76 -0.34 0.00 0.00 178.44 177.71 1jin s LEU 392 N -8.41 -0.48 0.45 2.25 1.43 -1.24 -4.11 118.68 108.57 1jin s LEU 392 Ca -0.17 -0.45 -0.24 0.00 -1.03 0.00 0.00 54.13 52.24 1jin s LEU 392 Cb -0.01 0.80 -0.07 0.00 0.03 0.00 0.00 46.19 46.94 1jin s LEU 392 CO 0.71 -0.36 1.21 -0.60 0.23 0.00 0.00 176.35 177.54 1jin s ARG 393 N 2.45 3.77 0.02 1.70 6.06 0.26 -4.67 118.95 128.54 1jin s ARG 393 Ca 0.10 1.90 -0.28 0.00 -2.50 0.00 0.00 55.73 54.95 1jin s ARG 393 Cb -0.14 -2.49 0.09 0.00 0.06 0.00 0.00 34.95 32.48 1jin s ARG 393 CO -0.28 -0.58 1.25 0.20 -2.50 0.00 0.00 175.30 173.39 1jin s GLY 394 N -1.18 -0.12 -0.13 8.12 0.00 -1.26 -4.63 107.32 108.12 1jin s GLY 394 Ca 0.62 0.04 0.02 0.00 0.00 0.00 0.00 44.72 45.40 1jin s GLY 394 CO 0.39 4.55 -0.19 -0.42 0.00 0.00 0.00 173.10 177.43 1jin s ILE 395 N -2.09 1.82 -0.19 0.90 1.01 -1.26 -0.45 121.20 120.93 1jin s ILE 395 Ca 0.27 -0.83 0.20 0.00 0.00 0.00 0.00 60.65 60.29 1jin s ILE 395 Cb -0.00 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 1jin s ILE 395 CO -0.00 0.50 0.99 0.44 0.00 0.00 0.00 174.94 176.87 1jin h ASP 396 N 7.49 0.00 -3.22 3.58 3.45 -1.97 -3.46 116.42 122.29 1jin h ASP 396 Ca -0.34 0.00 -0.37 0.00 0.43 0.00 0.00 57.03 56.76 1jin h ASP 396 Cb 1.17 0.00 -0.39 0.00 -0.56 0.00 0.00 39.33 39.56 1jin h ASP 396 CO 0.54 0.26 -0.72 -2.28 -1.57 0.00 0.00 179.24 175.46 1jin s HIS 397 N -3.16 0.03 -0.33 4.55 5.04 -1.26 -4.63 115.29 115.51 1jin s HIS 397 Ca -0.01 0.25 -0.01 0.00 -1.54 0.00 0.00 55.06 53.75 1jin s HIS 397 Cb 0.09 -0.46 0.12 0.00 0.04 0.00 0.00 32.58 32.36 1jin s HIS 397 CO 0.79 -0.25 0.16 -1.17 -2.34 0.00 0.00 174.74 171.93 1jin s LEU 398 N 2.19 1.37 0.05 8.88 2.96 -1.26 -4.72 118.68 128.15 1jin s LEU 398 Ca 0.04 -1.83 -0.31 0.00 -0.22 0.00 0.00 54.13 51.82 1jin s LEU 398 Cb -0.13 -0.58 -0.05 0.00 0.50 0.00 0.00 46.19 45.93 1jin s LEU 398 CO -0.04 -0.37 1.22 -2.16 -1.32 0.00 0.00 176.35 173.67 1jin s PRO 399 N 1.43 4.41 0.10 0.98 0.04 -1.26 -1.89 135.00 138.81 1jin s PRO 399 Ca 0.13 1.78 0.07 0.00 0.04 0.00 0.00 61.00 63.02 1jin s PRO 399 Cb -0.20 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 30.93 1jin s PRO 399 CO -0.18 -0.30 -0.18 0.14 0.04 0.00 0.00 177.00 176.52 1jin s VAL 400 N 1.27 1.46 -0.22 -0.36 -7.23 -0.07 0.43 120.40 115.68 1jin s VAL 400 Ca 0.59 -1.49 -0.08 0.00 -1.81 0.00 0.00 61.98 59.18 1jin s VAL 400 Cb -0.29 -1.39 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 1jin s VAL 400 CO 0.28 -0.17 0.10 -0.60 -0.31 0.00 0.00 175.10 174.40 1jin s ARG 401 N -1.97 3.90 -0.06 4.82 3.52 0.81 -1.23 118.95 128.74 1jin s ARG 401 Ca 0.04 -0.36 -0.10 0.00 -0.13 0.00 0.00 55.73 55.18 1jin s ARG 401 Cb -0.09 -3.36 -0.06 0.00 -1.56 0.00 0.00 34.95 29.88 1jin s ARG 401 CO 0.04 0.06 0.39 -0.07 -0.81 0.00 0.00 175.30 174.90 1jin h LEU 402 N 7.46 -0.26 -1.04 -0.88 3.38 -1.24 -1.23 115.31 121.50 1jin h LEU 402 Ca -0.37 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 1jin h LEU 402 Cb 1.17 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1jin h LEU 402 CO 0.64 0.22 -0.41 -2.24 0.09 0.00 0.00 178.44 176.74 1jin h ASP 403 N -1.07 0.15 0.00 -0.43 3.04 -1.77 -3.24 116.42 113.10 1jin h ASP 403 Ca -0.03 -0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.70 1jin h ASP 403 Cb 0.27 -0.04 0.00 0.00 -1.04 0.00 0.00 39.33 38.51 1jin h ASP 403 CO 0.05 0.55 0.00 0.61 -2.04 0.00 0.00 179.24 178.41