#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmu s ALA 2 N 0.00 1.58 -0.27 -0.43 0.00 -1.26 -5.07 121.76 116.30 2jmu s ALA 2 Ca 0.00 -1.81 -0.11 0.00 0.00 0.00 0.00 51.96 50.04 2jmu s ALA 2 Cb 0.00 1.32 -0.13 0.00 0.00 0.00 0.00 23.12 24.31 2jmu s ALA 2 CO 0.00 -0.57 -0.33 1.04 0.00 0.00 0.00 175.76 175.89 2jmu n GLN 3 N -0.45 0.60 0.00 0.00 6.02 -1.26 -5.03 117.38 117.26 2jmu n GLN 3 Ca 0.03 0.24 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 2jmu n GLN 3 Cb 0.65 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.42 2jmu n GLN 3 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jmu n GLY 4 N 1.45 1.76 3.73 1.08 0.00 -1.26 -4.73 105.19 107.22 2jmu n GLY 4 Ca -0.53 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 2jmu n GLY 4 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jmu s LEU 5 N 0.00 4.43 -0.30 0.99 1.02 -1.26 -4.85 118.68 118.71 2jmu s LEU 5 Ca 0.00 1.59 -0.28 0.00 0.02 0.00 0.00 54.13 55.46 2jmu s LEU 5 Cb 0.00 -3.42 -0.04 0.00 0.02 0.00 0.00 46.19 42.74 2jmu s LEU 5 CO 0.00 -0.10 2.11 -0.63 0.02 0.00 0.00 176.35 177.75 2jmu s ILE 6 N 0.34 3.15 0.03 -0.59 1.09 0.24 -4.53 121.20 120.92 2jmu s ILE 6 Ca 0.45 0.15 -0.26 0.00 -1.10 0.00 0.00 60.65 59.89 2jmu s ILE 6 Cb -0.21 -3.22 -0.05 0.00 -1.06 0.00 0.00 42.46 37.92 2jmu s ILE 6 CO 0.26 -0.15 0.80 -1.83 -0.10 0.00 0.00 174.94 173.92 2jmu s GLU 7 N 6.42 4.52 0.01 2.79 4.04 -1.26 -0.21 118.70 135.00 2jmu s GLU 7 Ca 0.93 1.12 0.01 0.00 0.04 0.00 0.00 54.97 57.07 2jmu s GLU 7 Cb -0.27 -3.39 -0.01 0.00 0.02 0.00 0.00 34.13 30.48 2jmu s GLU 7 CO 0.33 0.20 -0.04 0.14 -1.84 0.00 0.00 175.26 174.05 2jmu s VAL 8 N 0.21 0.32 0.08 1.83 -7.23 0.78 -4.99 120.40 111.41 2jmu s VAL 8 Ca 0.41 -0.36 0.01 0.00 -1.81 0.00 0.00 61.98 60.22 2jmu s VAL 8 Cb -0.20 -0.31 -0.04 0.00 0.56 0.00 0.00 36.38 36.38 2jmu s VAL 8 CO 0.24 -0.03 -0.04 -1.83 -0.31 0.00 0.00 175.10 173.12 2jmu s GLU 9 N -0.42 0.76 0.11 4.82 4.04 -1.26 -0.99 118.70 125.75 2jmu s GLU 9 Ca -0.02 -1.30 -0.21 0.00 0.04 0.00 0.00 54.97 53.48 2jmu s GLU 9 Cb -0.03 -0.02 0.05 0.00 0.02 0.00 0.00 34.13 34.15 2jmu s GLU 9 CO -0.00 -0.07 0.51 1.03 -1.84 0.00 0.00 175.26 174.89 2jmu s ARG 10 N -3.88 1.13 0.19 -4.83 1.81 -0.60 -5.02 118.95 107.75 2jmu s ARG 10 Ca 0.11 -0.45 0.07 0.00 -1.72 0.00 0.00 55.73 53.75 2jmu s ARG 10 Cb 0.06 0.51 -0.05 0.00 -0.45 0.00 0.00 34.95 35.03 2jmu s ARG 10 CO -0.06 -0.45 -0.14 0.21 -0.68 0.00 0.00 175.30 174.18 2jmu s LYS 11 N -3.28 1.28 0.13 3.54 2.20 -1.26 0.25 119.74 122.60 2jmu s LYS 11 Ca -0.01 -1.55 -0.15 0.00 -0.36 0.00 0.00 55.97 53.91 2jmu s LYS 11 Cb 0.00 -1.07 0.03 0.00 -1.51 0.00 0.00 37.83 35.28 2jmu s LYS 11 CO -0.08 0.18 0.37 -0.59 -0.36 0.00 0.00 175.35 174.86 2jmu s PHE 12 N -2.92 -0.11 -0.42 4.03 -0.71 0.11 0.57 117.98 118.53 2jmu s PHE 12 Ca 0.21 -0.24 -0.16 0.00 -1.04 0.00 0.00 56.93 55.71 2jmu s PHE 12 Cb -0.01 0.20 0.02 0.00 -1.21 0.00 0.00 43.02 42.02 2jmu s PHE 12 CO 0.06 -0.69 0.34 0.00 -1.34 0.00 0.00 175.22 173.58 2jmu s ALA 13 N -3.83 3.47 0.46 1.99 0.00 0.22 -0.51 121.76 123.56 2jmu s ALA 13 Ca 0.04 -1.69 -0.25 0.00 0.00 0.00 0.00 51.96 50.07 2jmu s ALA 13 Cb 0.02 -2.94 -0.08 0.00 0.00 0.00 0.00 23.12 20.12 2jmu s ALA 13 CO -0.11 -1.50 1.39 -2.30 0.00 0.00 0.00 175.76 173.25 2jmu n PRO 14 N 5.27 2.11 0.00 0.00 -0.02 -1.26 -1.17 135.00 139.94 2jmu n PRO 14 Ca -0.10 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2jmu n PRO 14 Cb 0.47 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 2jmu n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jmu n GLY 15 N 0.65 0.50 0.17 -1.23 0.00 -0.07 -4.85 105.19 100.35 2jmu n GLY 15 Ca 0.06 -1.69 -0.04 0.00 0.00 0.00 0.00 46.02 44.35 2jmu n GLY 15 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jmu h PRO 16 N 0.00 0.01 -2.00 1.61 0.11 -1.96 -3.33 132.00 126.44 2jmu h PRO 16 Ca 0.00 -0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.56 2jmu h PRO 16 Cb 0.00 -0.00 -0.37 0.00 0.11 0.00 0.00 31.00 30.73 2jmu h PRO 16 CO 0.00 0.01 -1.04 -0.25 -0.21 0.00 0.00 178.00 176.51 2jmu n ASP 17 N -5.30 -0.19 -0.13 -2.05 8.00 -1.26 -4.95 116.55 110.66 2jmu n ASP 17 Ca 0.03 -2.63 -0.12 0.00 0.71 0.00 0.00 54.79 52.78 2jmu n ASP 17 Cb 0.23 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 40.83 2jmu n ASP 17 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2jmu h THR 18 N 2.81 1.28 -0.87 -3.53 2.02 -1.87 -0.08 112.91 112.67 2jmu h THR 18 Ca 0.12 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 65.99 2jmu h THR 18 Cb 0.90 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 2jmu h THR 18 CO 0.42 0.43 0.49 -0.33 0.37 0.00 0.00 175.52 176.91 2jmu h GLU 19 N 0.62 1.20 -0.32 6.66 5.08 -1.93 0.36 114.58 126.26 2jmu h GLU 19 Ca 0.09 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 2jmu h GLU 19 Cb 0.72 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2jmu h GLU 19 CO 0.05 0.87 -0.16 0.93 -1.00 0.00 0.00 179.01 179.70 2jmu h GLU 20 N 1.21 0.67 -0.47 2.33 4.39 -1.94 -1.85 114.58 118.92 2jmu h GLU 20 Ca 0.31 -0.30 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 2jmu h GLU 20 Cb 0.00 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2jmu h GLU 20 CO -0.05 0.89 -0.07 -0.09 -1.16 0.00 0.00 179.01 178.53 2jmu h ARG 21 N 0.44 0.89 -0.48 2.33 9.65 -0.64 -2.67 114.38 123.89 2jmu h ARG 21 Ca 0.07 -0.32 0.05 0.00 -1.10 0.00 0.00 59.98 58.69 2jmu h ARG 21 Cb 0.69 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.16 2jmu h ARG 21 CO 0.05 0.96 0.20 -0.07 2.80 0.00 0.00 179.97 183.91 2jmu h LEU 22 N 0.73 0.25 -0.77 3.80 3.38 -0.13 0.45 115.31 123.03 2jmu h LEU 22 Ca 0.13 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.21 2jmu h LEU 22 Cb 0.61 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 2jmu h LEU 22 CO 0.04 0.18 0.45 1.56 0.09 0.00 0.00 178.44 180.75 2jmu h GLN 23 N 0.40 0.77 -0.35 1.13 4.20 -1.23 0.27 115.11 120.30 2jmu h GLN 23 Ca 0.22 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.78 2jmu h GLN 23 Cb 0.19 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2jmu h GLN 23 CO -0.20 0.51 -0.18 1.49 -0.67 0.00 0.00 178.83 179.78 2jmu h GLU 24 N 0.80 0.74 0.00 1.46 4.81 -0.96 -3.01 114.58 118.41 2jmu h GLU 24 Ca 0.35 -0.33 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 2jmu h GLU 24 Cb 0.25 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2jmu h GLU 24 CO -0.21 0.94 -0.27 -0.07 -0.73 0.00 0.00 179.01 178.68 2jmu h LEU 25 N 0.52 0.00 0.00 1.64 3.38 0.56 -3.46 115.31 117.94 2jmu h LEU 25 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2jmu h LEU 25 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2jmu h LEU 25 CO 0.05 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.46 2jmu n GLY 26 N -0.27 1.53 3.74 0.83 0.00 0.42 -5.07 105.19 106.36 2jmu n GLY 26 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2jmu n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmu s ALA 27 N -2.00 3.30 -0.26 4.61 0.00 0.66 -4.68 121.76 123.38 2jmu s ALA 27 Ca 0.00 0.52 -0.21 0.00 0.00 0.00 0.00 51.96 52.27 2jmu s ALA 27 Cb 0.00 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.91 2jmu s ALA 27 CO 0.00 0.05 0.67 0.99 0.00 0.00 0.00 175.76 177.47 2jmu s THR 28 N -0.29 4.94 -0.43 0.00 2.01 0.18 -4.36 115.64 117.68 2jmu s THR 28 Ca 0.44 1.16 -0.29 0.00 0.31 0.00 0.00 61.69 63.31 2jmu s THR 28 Cb -0.23 -3.99 0.02 0.00 0.01 0.00 0.00 72.50 68.31 2jmu s THR 28 CO 0.29 -0.04 1.23 -0.22 -0.69 0.00 0.00 174.62 175.19 2jmu s LEU 29 N 2.61 3.66 -0.17 4.42 2.96 -1.26 -0.25 118.68 130.65 2jmu s LEU 29 Ca 0.28 0.68 -0.11 0.00 -0.22 0.00 0.00 54.13 54.76 2jmu s LEU 29 Cb -0.15 -3.55 -0.22 0.00 0.50 0.00 0.00 46.19 42.77 2jmu s LEU 29 CO 0.09 -1.26 0.22 -1.84 -1.32 0.00 0.00 176.35 172.24 2jmu n GLU 30 N 7.79 0.68 -3.77 1.98 0.28 -0.15 -4.98 120.64 122.48 2jmu n GLU 30 Ca 0.14 0.34 -0.13 0.00 -0.16 0.00 0.00 57.16 57.35 2jmu n GLU 30 Cb 0.48 -1.69 -0.11 0.00 1.43 0.00 0.00 31.44 31.55 2jmu n GLU 30 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2jmu s HIS 31 N -2.50 -0.34 -0.10 -1.84 3.76 -1.17 -5.04 115.29 108.07 2jmu s HIS 31 Ca -0.27 0.81 -0.09 0.00 -0.15 0.00 0.00 55.06 55.37 2jmu s HIS 31 Cb 0.07 0.11 0.03 0.00 1.11 0.00 0.00 32.58 33.90 2jmu s HIS 31 CO 0.68 -0.17 0.26 -0.98 -0.85 0.00 0.00 174.74 173.69 2jmu s ARG 32 N 0.25 0.30 0.05 1.40 1.04 -1.26 -0.10 118.95 120.63 2jmu s ARG 32 Ca -0.01 0.38 0.06 0.00 -1.04 0.00 0.00 55.73 55.12 2jmu s ARG 32 Cb -0.03 0.12 -0.03 0.00 -2.04 0.00 0.00 34.95 32.98 2jmu s ARG 32 CO -0.00 -0.05 -0.17 0.14 -0.04 0.00 0.00 175.30 175.18 2jmu s VAL 33 N 0.24 1.39 -0.03 4.99 -7.23 0.15 -4.93 120.40 114.98 2jmu s VAL 33 Ca -0.01 -1.18 0.01 0.00 -1.81 0.00 0.00 61.98 58.99 2jmu s VAL 33 Cb -0.03 -1.24 0.02 0.00 0.56 0.00 0.00 36.38 35.69 2jmu s VAL 33 CO -0.01 0.04 -0.03 0.42 -0.31 0.00 0.00 175.10 175.21 2jmu s THR 34 N -0.92 0.37 0.26 5.32 -4.23 -1.25 0.15 115.64 115.33 2jmu s THR 34 Ca 0.04 -0.07 -0.20 0.00 -1.18 0.00 0.00 61.69 60.28 2jmu s THR 34 Cb -0.09 -0.40 0.06 0.00 1.34 0.00 0.00 72.50 73.41 2jmu s THR 34 CO 0.02 0.17 0.90 0.72 -0.54 0.00 0.00 174.62 175.89 2jmu s PHE 35 N 0.71 0.02 -0.15 3.99 -0.71 -0.37 -4.98 117.98 116.49 2jmu s PHE 35 Ca -0.08 -0.50 -0.04 0.00 -1.04 0.00 0.00 56.93 55.26 2jmu s PHE 35 Cb -0.11 0.74 -0.03 0.00 -1.21 0.00 0.00 43.02 42.40 2jmu s PHE 35 CO -0.01 -1.17 -0.01 0.50 -1.34 0.00 0.00 175.22 173.20 2jmu s ARG 36 N -2.64 3.63 -0.27 1.99 3.52 -1.26 0.10 118.95 124.03 2jmu s ARG 36 Ca 0.16 -0.46 -0.07 0.00 -0.13 0.00 0.00 55.73 55.24 2jmu s ARG 36 Cb -0.04 -2.97 -0.01 0.00 -1.56 0.00 0.00 34.95 30.38 2jmu s ARG 36 CO 0.07 0.33 0.07 -0.51 -0.81 0.00 0.00 175.30 174.45 2jmu s ASP 37 N 0.15 5.09 -0.38 -2.12 1.01 -0.12 -2.30 116.67 118.01 2jmu s ASP 37 Ca 0.00 -0.42 -0.10 0.00 0.71 0.00 0.00 52.55 52.74 2jmu s ASP 37 Cb -0.13 -1.90 0.04 0.00 1.01 0.00 0.00 42.92 41.94 2jmu s ASP 37 CO 0.02 -0.10 0.21 -0.89 0.21 0.00 0.00 175.17 174.62 2jmu s THR 38 N 1.57 4.42 -0.14 -1.27 2.01 0.74 -1.33 115.64 121.64 2jmu s THR 38 Ca 0.05 -1.02 -0.08 0.00 0.31 0.00 0.00 61.69 60.95 2jmu s THR 38 Cb -0.16 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 2jmu s THR 38 CO 0.03 -0.30 0.14 -0.31 -0.69 0.00 0.00 174.62 173.49 2jmu s TYR 39 N 1.51 3.56 0.31 4.92 1.51 0.08 0.45 117.35 129.69 2jmu s TYR 39 Ca 0.02 0.49 0.11 0.00 -1.01 0.00 0.00 57.07 56.68 2jmu s TYR 39 Cb -0.20 -1.99 -0.06 0.00 -0.11 0.00 0.00 41.96 39.61 2jmu s TYR 39 CO 0.05 0.65 -0.16 0.71 -1.11 0.00 0.00 175.55 175.70 2jmu s TYR 40 N -0.75 2.33 0.16 2.71 1.51 0.03 -0.32 117.35 123.02 2jmu s TYR 40 Ca 0.14 -0.40 -0.24 0.00 -1.01 0.00 0.00 57.07 55.55 2jmu s TYR 40 Cb -0.12 -1.15 0.06 0.00 -0.11 0.00 0.00 41.96 40.64 2jmu s TYR 40 CO 0.03 0.66 0.87 0.34 -1.11 0.00 0.00 175.55 176.34 2jmu s ASP 41 N -3.55 -0.25 1.18 2.29 -1.08 -0.34 -4.11 116.67 110.80 2jmu s ASP 41 Ca 0.31 -0.36 -0.18 0.00 -0.52 0.00 0.00 52.55 51.80 2jmu s ASP 41 Cb -0.02 0.54 0.27 0.00 -1.46 0.00 0.00 42.92 42.25 2jmu s ASP 41 CO 0.16 -0.97 1.10 0.42 0.52 0.00 0.00 175.17 176.40 2jmu s THR 42 N -3.44 1.67 0.26 1.71 -4.23 -1.26 -1.38 115.64 108.96 2jmu s THR 42 Ca 0.10 0.00 0.30 0.00 -1.18 0.00 0.00 61.69 60.91 2jmu s THR 42 Cb -0.02 -2.47 0.32 0.00 1.34 0.00 0.00 72.50 71.67 2jmu s THR 42 CO 0.01 0.00 2.00 0.77 -0.54 0.00 0.00 174.62 176.85 2jmu h SER 43 N -2.50 0.00 -0.31 3.99 4.64 -1.94 -3.08 113.55 114.35 2jmu h SER 43 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2jmu h SER 43 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2jmu h SER 43 CO 0.39 0.11 0.00 -0.62 -0.87 0.00 0.00 176.83 175.84 2jmu n GLU 44 N -3.35 2.27 -2.02 4.77 -0.58 -1.26 -4.95 120.64 115.51 2jmu n GLU 44 Ca -0.01 -1.94 -0.18 0.00 -0.42 0.00 0.00 57.16 54.62 2jmu n GLU 44 Cb 0.30 -1.32 -0.04 0.00 -0.57 0.00 0.00 31.44 29.82 2jmu n GLU 44 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2jmu n LEU 45 N 0.78 -1.63 0.13 -4.62 4.32 -1.16 -4.89 117.00 109.93 2jmu n LEU 45 Ca 0.13 0.17 0.03 0.00 -0.02 0.00 0.00 56.01 56.31 2jmu n LEU 45 Cb 0.44 -2.59 0.40 0.00 -1.62 0.00 0.00 43.42 40.05 2jmu n LEU 45 CO 0.10 -0.49 0.90 0.28 -1.22 0.00 0.00 177.39 176.96 2jmu h SER 46 N 0.00 0.20 0.48 -1.43 0.02 -1.92 -1.75 113.55 109.15 2jmu h SER 46 Ca -0.41 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 2jmu h SER 46 Cb 1.26 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2jmu h SER 46 CO 0.52 0.36 -0.23 0.25 -1.14 0.00 0.00 176.83 176.59 2jmu h LEU 47 N 0.21 -0.55 -0.41 5.07 5.85 -1.90 -2.88 115.31 120.70 2jmu h LEU 47 Ca 0.04 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.72 2jmu h LEU 47 Cb 0.36 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 2jmu h LEU 47 CO 0.02 -0.19 0.20 -0.03 -0.34 0.00 0.00 178.44 178.10 2jmu h MET 48 N -0.95 0.39 0.00 1.25 4.05 -1.52 -1.28 114.93 116.87 2jmu h MET 48 Ca -0.07 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 2jmu h MET 48 Cb 0.59 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 2jmu h MET 48 CO 0.11 0.26 0.00 1.28 0.23 0.00 0.00 176.91 178.79 2jmu n LEU 49 N -4.93 0.00 -0.75 3.39 4.32 -0.67 -0.78 117.00 117.58 2jmu n LEU 49 Ca 0.02 0.36 0.11 0.00 -0.02 0.00 0.00 56.01 56.48 2jmu n LEU 49 Cb 0.11 -0.36 0.31 0.00 -1.62 0.00 0.00 43.42 41.86 2jmu n LEU 49 CO 0.30 -0.16 0.75 -0.24 -1.22 0.00 0.00 177.39 176.81 2jmu n SER 50 N -1.36 2.26 -0.65 -1.43 2.88 -0.51 -4.89 113.62 109.92 2jmu n SER 50 Ca 0.06 -1.81 -0.08 0.00 -1.33 0.00 0.00 58.87 55.71 2jmu n SER 50 Cb 0.15 -0.14 -0.04 0.00 -0.75 0.00 0.00 64.21 63.43 2jmu n SER 50 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2jmu n ASP 51 N 0.72 -4.37 -4.19 -3.46 9.92 0.04 -4.78 116.55 110.43 2jmu n ASP 51 Ca 0.17 0.21 -0.37 0.00 -0.53 0.00 0.00 54.79 54.27 2jmu n ASP 51 Cb 0.42 -2.62 -0.12 0.00 -0.64 0.00 0.00 41.12 38.17 2jmu n ASP 51 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 2jmu s HIS 52 N -2.20 3.42 -0.07 1.24 3.76 -1.04 -3.25 115.29 117.15 2jmu s HIS 52 Ca 0.00 -1.97 -0.05 0.00 -0.15 0.00 0.00 55.06 52.89 2jmu s HIS 52 Cb 0.00 -2.84 -0.04 0.00 1.11 0.00 0.00 32.58 30.81 2jmu s HIS 52 CO 0.00 -0.88 0.16 -1.58 -0.85 0.00 0.00 174.74 171.59 2jmu s TRP 53 N 1.27 3.58 -0.07 1.40 0.52 0.69 -3.33 118.94 122.99 2jmu s TRP 53 Ca 0.03 0.45 0.01 0.00 0.02 0.00 0.00 56.10 56.62 2jmu s TRP 53 Cb -0.22 -1.89 0.02 0.00 -1.15 0.00 0.00 33.47 30.23 2jmu s TRP 53 CO -0.01 0.70 -0.09 -1.17 0.02 0.00 0.00 176.95 176.39 2jmu s LEU 54 N -1.43 1.48 0.03 2.99 2.96 -1.26 -0.18 118.68 123.26 2jmu s LEU 54 Ca 0.20 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 2jmu s LEU 54 Cb -0.12 -0.74 -0.02 0.00 0.50 0.00 0.00 46.19 45.81 2jmu s LEU 54 CO 0.11 -0.02 -0.03 0.00 -1.32 0.00 0.00 176.35 175.09 2jmu s ARG 55 N 0.92 0.39 -0.09 1.98 1.70 0.10 -0.79 118.95 123.16 2jmu s ARG 55 Ca -0.10 -0.75 0.04 0.00 -0.47 0.00 0.00 55.73 54.45 2jmu s ARG 55 Cb -0.15 0.09 -0.01 0.00 -0.57 0.00 0.00 34.95 34.32 2jmu s ARG 55 CO 0.01 -0.05 -0.22 -1.14 -1.08 0.00 0.00 175.30 172.81 2jmu s GLN 56 N -1.97 2.89 0.85 3.89 0.74 0.17 -0.54 119.66 125.69 2jmu s GLN 56 Ca -0.11 -0.85 -0.12 0.00 0.05 0.00 0.00 55.36 54.33 2jmu s GLN 56 Cb -0.06 -2.30 0.11 0.00 1.10 0.00 0.00 33.01 31.85 2jmu s GLN 56 CO -0.03 0.28 1.18 1.03 -0.55 0.00 0.00 175.29 177.21 2jmu s ARG 57 N 0.10 1.61 0.00 1.67 1.81 -0.79 -0.19 118.95 123.17 2jmu s ARG 57 Ca -0.10 0.11 0.00 0.00 -1.72 0.00 0.00 55.73 54.01 2jmu s ARG 57 Cb -0.16 -1.91 0.00 0.00 -0.45 0.00 0.00 34.95 32.43 2jmu s ARG 57 CO 0.06 -1.84 0.00 -0.85 -0.68 0.00 0.00 175.30 171.99 2jmu n GLU 58 N -3.48 0.00 -0.71 3.54 0.00 -0.97 -3.67 120.64 115.34 2jmu n GLU 58 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.24 2jmu n GLU 58 Cb 0.60 -0.98 0.00 0.00 0.00 0.00 0.00 31.44 31.06 2jmu n GLU 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jmu n GLY 59 N 1.40 0.69 0.33 -1.84 0.00 -1.26 -4.91 105.19 99.60 2jmu n GLY 59 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2jmu n GLY 59 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jmu n SER 60 N 0.00 0.96 0.00 1.61 2.88 -1.24 -4.99 113.62 112.84 2jmu n SER 60 Ca 0.00 -1.90 0.00 0.00 -1.33 0.00 0.00 58.87 55.64 2jmu n SER 60 Cb 0.00 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 2jmu n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jmu n GLY 61 N 0.83 -0.82 3.61 0.46 0.00 -1.26 -4.90 105.19 103.11 2jmu n GLY 61 Ca 0.08 -2.16 -0.23 0.00 0.00 0.00 0.00 46.02 43.71 2jmu n GLY 61 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jmu s TRP 62 N 0.00 2.61 -0.11 1.61 0.52 -1.26 -1.88 118.94 120.43 2jmu s TRP 62 Ca 0.00 -0.26 -0.06 0.00 0.02 0.00 0.00 56.10 55.80 2jmu s TRP 62 Cb 0.00 -1.18 0.04 0.00 -1.15 0.00 0.00 33.47 31.19 2jmu s TRP 62 CO 0.00 0.63 0.25 -1.21 0.02 0.00 0.00 176.95 176.64 2jmu s GLU 63 N -3.65 0.23 -0.06 4.98 2.02 0.30 -4.65 118.70 117.87 2jmu s GLU 63 Ca 0.31 0.51 -0.00 0.00 0.02 0.00 0.00 54.97 55.82 2jmu s GLU 63 Cb -0.06 -0.08 0.02 0.00 0.10 0.00 0.00 34.13 34.12 2jmu s GLU 63 CO 0.19 -0.14 -0.02 -1.17 0.02 0.00 0.00 175.26 174.13 2jmu s LEU 64 N 1.09 0.98 -0.21 1.80 0.20 -0.55 0.02 118.68 122.01 2jmu s LEU 64 Ca -0.08 -0.12 -0.10 0.00 0.69 0.00 0.00 54.13 54.52 2jmu s LEU 64 Cb -0.09 -0.47 -0.05 0.00 -0.43 0.00 0.00 46.19 45.15 2jmu s LEU 64 CO -0.07 -0.12 0.15 -0.75 -0.29 0.00 0.00 176.35 175.26 2jmu s LYS 65 N 1.45 4.15 0.23 1.98 2.20 0.74 0.03 119.74 130.51 2jmu s LYS 65 Ca -0.03 -0.23 0.11 0.00 -0.36 0.00 0.00 55.97 55.46 2jmu s LYS 65 Cb -0.13 -3.46 -0.05 0.00 -1.51 0.00 0.00 37.83 32.68 2jmu s LYS 65 CO -0.03 0.21 -0.15 0.00 -0.36 0.00 0.00 175.35 175.02 2jmu n PRO 67 N -0.23 0.75 -0.49 0.00 -0.04 -1.20 -0.11 135.00 133.67 2jmu n PRO 67 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2jmu n PRO 67 Cb 0.57 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 2jmu n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jmu n GLY 68 N 0.46 1.22 3.37 0.55 0.00 -0.70 -2.68 105.19 107.40 2jmu n GLY 68 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2jmu n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jmu s VAL 69 N -3.19 3.31 -0.01 1.61 1.01 -1.26 -4.88 120.40 116.98 2jmu s VAL 69 Ca 0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 2jmu s VAL 69 Cb 0.00 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 2jmu s VAL 69 CO 0.00 0.48 -0.07 0.41 0.00 0.00 0.00 175.10 175.92 2jmu n THR 70 N 4.03 0.56 -2.90 3.92 -1.04 -1.26 -4.88 114.28 112.70 2jmu n THR 70 Ca -0.18 0.26 -0.26 0.00 -2.04 0.00 0.00 64.05 61.83 2jmu n THR 70 Cb 0.52 -1.54 -0.03 0.00 -1.82 0.00 0.00 70.33 67.46 2jmu n THR 70 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jmu n GLY 71 N 2.52 5.44 0.00 3.41 0.00 -1.26 -4.85 105.19 110.46 2jmu n GLY 71 Ca -0.03 -2.67 0.00 0.00 0.00 0.00 0.00 46.02 43.32 2jmu n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jmu n VAL 72 N -0.23 0.00 0.00 1.61 0.31 -1.26 -5.13 118.33 113.63 2jmu n VAL 72 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 2jmu n VAL 72 Cb 0.45 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 2jmu n VAL 72 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2jmu n SER 73 N -0.77 0.00 -1.19 4.52 3.41 -1.26 -5.17 113.62 113.16 2jmu n SER 73 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2jmu n SER 73 Cb 0.00 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2jmu n SER 73 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jmu n GLY 74 N -1.04 4.20 3.59 5.00 0.00 -1.26 -5.09 105.19 110.60 2jmu n GLY 74 Ca 0.00 -1.80 -0.45 0.00 0.00 0.00 0.00 46.02 43.77 2jmu n GLY 74 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jmu n PRO 75 N 0.00 2.00 -3.58 1.61 -0.02 -1.26 -4.83 135.00 128.91 2jmu n PRO 75 Ca 0.00 0.61 -0.14 0.00 -2.02 0.00 0.00 63.50 61.95 2jmu n PRO 75 Cb 0.00 -3.01 -0.06 0.00 -0.02 0.00 0.00 33.50 30.41 2jmu n PRO 75 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2jmu s HIS 76 N 7.04 -0.43 0.00 6.00 3.76 -1.25 -4.94 115.29 125.47 2jmu s HIS 76 Ca 0.99 0.55 0.00 0.00 -0.15 0.00 0.00 55.06 56.45 2jmu s HIS 76 Cb -0.47 0.33 0.00 0.00 1.11 0.00 0.00 32.58 33.54 2jmu s HIS 76 CO 0.40 -0.61 0.00 -1.71 -0.85 0.00 0.00 174.74 171.97 2jmu n ASN 77 N 0.56 0.00 -0.38 1.40 5.15 -1.26 -4.14 115.26 116.59 2jmu n ASN 77 Ca -0.19 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 53.84 2jmu n ASN 77 Cb 0.59 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.83 2jmu n ASN 77 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jmu n GLU 78 N -2.00 -0.82 -1.87 1.20 1.02 -1.09 -4.84 120.64 112.23 2jmu n GLU 78 Ca 0.00 0.61 -0.41 0.00 -0.02 0.00 0.00 57.16 57.34 2jmu n GLU 78 Cb 0.00 -0.98 -0.01 0.00 -0.02 0.00 0.00 31.44 30.43 2jmu n GLU 78 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2jmu s TYR 79 N -2.29 2.79 -0.07 -0.32 2.02 -1.26 -1.72 117.35 116.50 2jmu s TYR 79 Ca 0.00 1.02 0.01 0.00 -0.37 0.00 0.00 57.07 57.73 2jmu s TYR 79 Cb 0.00 -3.96 0.02 0.00 -0.40 0.00 0.00 41.96 37.62 2jmu s TYR 79 CO 0.00 -3.02 -0.07 0.08 -1.57 0.00 0.00 175.55 170.97 2jmu s VAL 80 N -0.47 0.80 -0.38 0.71 1.01 0.84 -4.73 120.40 118.19 2jmu s VAL 80 Ca 0.58 -0.24 -0.17 0.00 0.00 0.00 0.00 61.98 62.15 2jmu s VAL 80 Cb -0.45 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.13 2jmu s VAL 80 CO 0.52 0.30 0.42 -1.61 0.00 0.00 0.00 175.10 174.73 2jmu s GLU 81 N 1.11 3.39 -0.02 2.72 2.02 -1.26 -0.47 118.70 126.19 2jmu s GLU 81 Ca -0.07 -0.50 -0.20 0.00 0.02 0.00 0.00 54.97 54.22 2jmu s GLU 81 Cb -0.14 -3.87 -0.05 0.00 0.10 0.00 0.00 34.13 30.16 2jmu s GLU 81 CO -0.01 -0.68 0.56 0.14 0.02 0.00 0.00 175.26 175.29 2jmu s VAL 82 N 2.14 4.95 -0.01 2.63 -7.23 0.10 -4.92 120.40 118.07 2jmu s VAL 82 Ca 0.13 1.17 0.03 0.00 -1.81 0.00 0.00 61.98 61.50 2jmu s VAL 82 Cb -0.16 -3.90 -0.04 0.00 0.56 0.00 0.00 36.38 32.84 2jmu s VAL 82 CO 0.13 0.43 0.06 0.35 -0.31 0.00 0.00 175.10 175.75 2jmu n THR 83 N 2.73 0.00 -2.22 5.32 -2.24 -1.26 -1.48 114.28 115.13 2jmu n THR 83 Ca -0.08 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 2jmu n THR 83 Cb 0.51 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 69.20 2jmu n THR 83 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2jmu s SER 84 N -2.21 6.87 0.20 3.42 0.01 -1.26 -4.68 113.70 116.05 2jmu s SER 84 Ca -0.01 2.26 -0.11 0.00 1.31 0.00 0.00 55.95 59.41 2jmu s SER 84 Cb 0.02 -2.58 0.24 0.00 0.21 0.00 0.00 66.02 63.90 2jmu s SER 84 CO 0.11 -0.62 1.74 -0.33 0.41 0.00 0.00 173.24 174.54 2jmu h GLU 85 N 6.83 0.35 -0.50 12.44 5.08 -1.95 -0.55 114.58 136.29 2jmu h GLU 85 Ca -0.42 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 57.93 2jmu h GLU 85 Cb 1.21 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 2jmu h GLU 85 CO 0.86 0.23 0.33 0.00 -1.00 0.00 0.00 179.01 179.43 2jmu h ALA 86 N 1.40 1.68 -0.35 3.43 0.00 -1.91 0.17 119.26 123.67 2jmu h ALA 86 Ca 0.28 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 2jmu h ALA 86 Cb 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2jmu h ALA 86 CO -0.30 0.29 -0.33 0.00 0.00 0.00 0.00 179.25 178.91 2jmu h ALA 87 N 1.70 0.52 0.21 0.00 0.00 -1.54 -1.06 119.26 119.09 2jmu h ALA 87 Ca 0.19 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2jmu h ALA 87 Cb -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2jmu h ALA 87 CO -0.04 0.57 -0.10 0.82 0.00 0.00 0.00 179.25 180.50 2jmu h ILE 88 N 0.64 0.83 -0.36 0.00 1.08 -0.03 -0.89 117.51 118.77 2jmu h ILE 88 Ca 0.06 -0.17 0.07 0.00 -0.39 0.00 0.00 64.86 64.44 2jmu h ILE 88 Cb 0.91 0.93 -0.07 0.00 -3.07 0.00 0.00 36.82 35.52 2jmu h ILE 88 CO 0.08 0.04 -0.11 0.58 -0.69 0.00 0.00 178.15 178.05 2jmu h VAL 89 N -0.36 0.60 -0.72 1.67 2.07 -0.63 0.09 116.25 118.97 2jmu h VAL 89 Ca -0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.50 2jmu h VAL 89 Cb 0.28 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 2jmu h VAL 89 CO 0.05 0.00 0.48 0.00 0.02 0.00 0.00 177.57 178.11 2jmu h ALA 90 N 1.32 0.91 0.20 1.67 0.00 -1.10 -2.78 119.26 119.48 2jmu h ALA 90 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2jmu h ALA 90 Cb 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2jmu h ALA 90 CO -0.39 0.33 -0.10 1.96 0.00 0.00 0.00 179.25 181.05 2jmu h GLN 91 N 0.97 -0.26 -0.99 0.00 1.08 0.28 -2.22 115.11 113.98 2jmu h GLN 91 Ca 0.26 0.02 0.13 0.00 -1.45 0.00 0.00 58.65 57.61 2jmu h GLN 91 Cb -0.11 0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 27.29 2jmu h GLN 91 CO -0.06 -0.17 0.63 -0.07 -0.95 0.00 0.00 178.83 178.21 2jmu h LEU 92 N -0.28 0.89 0.07 1.46 -0.00 -0.87 0.11 115.31 116.70 2jmu h LEU 92 Ca -0.03 0.05 -0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2jmu h LEU 92 Cb 0.21 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 2jmu h LEU 92 CO 0.05 0.46 -0.03 -0.26 -0.00 0.00 0.00 178.44 178.65 2jmu h PHE 93 N 0.95 -0.09 -0.07 1.13 -1.00 -1.31 0.26 116.94 116.80 2jmu h PHE 93 Ca 0.50 -0.00 -0.09 0.00 2.81 0.00 0.00 57.97 61.19 2jmu h PHE 93 Cb 0.54 0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.12 2jmu h PHE 93 CO -0.00 0.24 -0.35 1.05 -1.61 0.00 0.00 178.31 177.64 2jmu h GLU 94 N -0.43 0.15 0.03 1.51 4.11 -0.92 0.17 114.58 119.19 2jmu h GLU 94 Ca -0.01 -0.06 -0.07 0.00 0.07 0.00 0.00 59.36 59.29 2jmu h GLU 94 Cb 0.37 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.62 2jmu h GLU 94 CO 0.02 0.48 -0.31 -0.07 0.07 0.00 0.00 179.01 179.20 2jmu h LEU 95 N 0.13 0.22 0.00 3.06 3.38 -0.75 -3.36 115.31 117.99 2jmu h LEU 95 Ca 0.02 -0.87 -0.21 0.00 0.09 0.00 0.00 57.88 56.91 2jmu h LEU 95 Cb 0.68 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2jmu h LEU 95 CO 0.05 1.07 -1.08 0.25 0.09 0.00 0.00 178.44 178.82 2jmu h LEU 96 N -0.60 0.00 0.00 1.67 6.46 -0.96 -3.47 115.31 118.41 2jmu h LEU 96 Ca -0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 2jmu h LEU 96 Cb 1.14 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.07 2jmu h LEU 96 CO 0.06 0.90 0.00 0.61 -0.62 0.00 0.00 178.44 179.39 2jmu n GLY 97 N 1.37 1.62 3.74 3.75 0.00 -0.71 -5.09 105.19 109.88 2jmu n GLY 97 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 2jmu n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jmu s SER 98 N -2.00 6.60 -0.02 1.61 0.01 0.51 -4.90 113.70 115.51 2jmu s SER 98 Ca 0.00 0.71 0.13 0.00 1.31 0.00 0.00 55.95 58.10 2jmu s SER 98 Cb 0.00 -2.24 0.38 0.00 0.21 0.00 0.00 66.02 64.38 2jmu s SER 98 CO 0.00 0.09 1.32 0.61 0.41 0.00 0.00 173.24 175.67 2jmu n GLY 99 N 3.09 2.85 3.80 3.44 0.00 -1.26 -4.64 105.19 112.47 2jmu n GLY 99 Ca -0.10 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 2jmu n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jmu s GLU 100 N -1.20 1.40 0.57 1.61 8.01 -1.26 -5.05 118.70 122.78 2jmu s GLU 100 Ca 0.29 0.33 -0.16 0.00 0.01 0.00 0.00 54.97 55.44 2jmu s GLU 100 Cb 0.16 -1.87 -0.05 0.00 -4.31 0.00 0.00 34.13 28.07 2jmu s GLU 100 CO 0.18 -2.03 1.04 1.14 0.01 0.00 0.00 175.26 175.59 2jmu s GLN 101 N -5.29 3.50 0.04 1.61 0.00 -1.26 -4.98 119.66 113.28 2jmu s GLN 101 Ca 0.63 1.13 -0.30 0.00 -0.00 0.00 0.00 55.36 56.81 2jmu s GLN 101 Cb -0.14 -2.06 -0.07 0.00 0.00 0.00 0.00 33.01 30.73 2jmu s GLN 101 CO 0.53 -0.65 1.56 0.15 0.00 0.00 0.00 175.29 176.87 2jmu s LYS 102 N -4.09 4.23 -0.00 9.60 3.01 -1.26 -4.94 119.74 126.29 2jmu s LYS 102 Ca 0.62 2.19 -0.06 0.00 -1.01 0.00 0.00 55.97 57.72 2jmu s LYS 102 Cb -0.14 -3.59 -0.03 0.00 -1.01 0.00 0.00 37.83 33.06 2jmu s LYS 102 CO 0.36 -0.67 0.63 -1.00 0.51 0.00 0.00 175.35 175.17 2jmu h PRO 103 N 8.13 -0.20 0.00 -1.68 0.13 -1.95 -3.49 132.00 132.94 2jmu h PRO 103 Ca -0.41 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2jmu h PRO 103 Cb 1.19 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2jmu h PRO 103 CO 0.92 -0.13 0.00 0.00 -0.23 0.00 0.00 178.00 178.56 2jmu n ALA 104 N -2.20 0.00 -4.44 -0.56 0.00 -1.26 -5.10 120.51 106.95 2jmu n ALA 104 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.15 2jmu n ALA 104 Cb 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.46 2jmu n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jmu n GLY 105 N 0.00 3.25 0.26 0.00 0.00 -1.26 -4.83 105.19 102.62 2jmu n GLY 105 Ca 0.00 -2.11 -0.09 0.00 0.00 0.00 0.00 46.02 43.82 2jmu n GLY 105 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2jmu h VAL 106 N 1.66 1.27 -0.20 1.61 2.07 -1.97 -2.53 116.25 118.17 2jmu h VAL 106 Ca -0.31 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 65.80 2jmu h VAL 106 Cb 1.18 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 2jmu h VAL 106 CO 0.49 0.47 0.08 0.00 0.02 0.00 0.00 177.57 178.63 2jmu h ALA 107 N 1.00 1.78 -0.23 1.67 0.00 -1.98 0.15 119.26 121.65 2jmu h ALA 107 Ca 0.09 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2jmu h ALA 107 Cb 0.80 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2jmu h ALA 107 CO 0.07 0.19 -0.35 0.00 0.00 0.00 0.00 179.25 179.15 2jmu h ALA 108 N 1.82 0.35 -0.16 0.00 0.00 -1.88 -2.51 119.26 116.88 2jmu h ALA 108 Ca 0.07 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 2jmu h ALA 108 Cb 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2jmu h ALA 108 CO -0.01 0.42 -0.34 -0.39 0.00 0.00 0.00 179.25 178.92 2jmu h VAL 109 N 0.35 1.29 0.09 0.00 -1.51 -0.92 -1.90 116.25 113.64 2jmu h VAL 109 Ca 0.02 -1.40 -0.00 0.00 -1.23 0.00 0.00 66.70 64.09 2jmu h VAL 109 Cb 0.94 1.54 -0.00 0.00 -2.13 0.00 0.00 31.29 31.64 2jmu h VAL 109 CO 0.08 0.43 -0.06 0.25 -1.23 0.00 0.00 177.57 177.04 2jmu h LEU 110 N 0.29 -0.15 -0.16 4.19 5.85 -0.64 0.12 115.31 124.81 2jmu h LEU 110 Ca 0.03 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 2jmu h LEU 110 Cb 0.75 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 2jmu h LEU 110 CO 0.06 -0.10 -0.24 1.23 -0.34 0.00 0.00 178.44 179.05 2jmu h GLY 111 N -0.15 0.48 1.00 3.75 0.00 -1.40 -2.30 103.07 104.45 2jmu h GLY 111 Ca -0.01 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 2jmu h GLY 111 CO 0.00 0.48 0.33 1.76 0.00 0.00 0.00 176.54 179.12 2jmu h SER 112 N 0.06 0.84 -0.01 0.19 0.02 -1.17 -2.52 113.55 110.96 2jmu h SER 112 Ca 0.01 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2jmu h SER 112 Cb 0.81 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2jmu h SER 112 CO 0.05 0.72 -0.00 0.18 -1.14 0.00 0.00 176.83 176.64 2jmu n LEU 113 N -4.49 1.58 -2.74 5.07 4.77 0.41 -4.93 117.00 116.66 2jmu n LEU 113 Ca 0.05 -0.53 -0.19 0.00 -0.03 0.00 0.00 56.01 55.31 2jmu n LEU 113 Cb 0.11 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.25 2jmu n LEU 113 CO 0.38 0.26 0.08 0.29 -1.33 0.00 0.00 177.39 177.07 2jmu n LYS 114 N 0.23 -5.07 -2.01 3.23 5.02 -0.95 -4.95 118.16 113.66 2jmu n LYS 114 Ca 0.19 0.73 -0.41 0.00 -2.02 0.00 0.00 58.31 56.80 2jmu n LYS 114 Cb 0.37 -5.29 -0.02 0.00 -0.02 0.00 0.00 35.03 30.07 2jmu n LYS 114 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jmu s LEU 115 N -5.84 4.39 -0.04 -0.35 1.43 -0.89 -4.81 118.68 112.56 2jmu s LEU 115 Ca 0.34 2.79 -0.01 0.00 -1.03 0.00 0.00 54.13 56.22 2jmu s LEU 115 Cb -0.15 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 2jmu s LEU 115 CO 0.42 -0.66 0.06 0.00 0.23 0.00 0.00 176.35 176.41 2jmu s GLN 116 N -1.66 3.05 -0.81 1.70 -2.07 -0.48 -4.93 119.66 114.46 2jmu s GLN 116 Ca 0.52 -0.44 -0.26 0.00 -1.82 0.00 0.00 55.36 53.36 2jmu s GLN 116 Cb -0.42 -2.86 0.04 0.00 -1.09 0.00 0.00 33.01 28.68 2jmu s GLN 116 CO 0.54 0.67 1.32 -1.83 -1.32 0.00 0.00 175.29 174.67 2jmu s GLU 117 N -1.43 3.30 0.41 9.60 -1.05 -1.26 -1.20 118.70 127.06 2jmu s GLU 117 Ca 0.19 -0.50 0.14 0.00 -0.15 0.00 0.00 54.97 54.65 2jmu s GLU 117 Cb -0.12 -4.50 1.00 0.00 -0.44 0.00 0.00 34.13 30.07 2jmu s GLU 117 CO 0.10 -2.16 1.89 -0.24 0.95 0.00 0.00 175.26 175.80 2jmu h VAL 118 N 6.23 0.77 -1.69 1.83 3.04 -0.96 -3.40 116.25 122.07 2jmu h VAL 118 Ca -0.15 -0.17 0.09 0.00 -1.01 0.00 0.00 66.70 65.46 2jmu h VAL 118 Cb 1.04 0.25 -0.23 0.00 -2.01 0.00 0.00 31.29 30.34 2jmu h VAL 118 CO 1.32 0.09 0.11 0.00 -1.01 0.00 0.00 177.57 178.08 2jmu s ALA 119 N -5.48 -2.18 -0.08 3.17 0.00 -1.09 -5.04 121.76 111.06 2jmu s ALA 119 Ca -0.08 2.28 0.05 0.00 0.00 0.00 0.00 51.96 54.21 2jmu s ALA 119 Cb 0.22 -1.71 -0.01 0.00 0.00 0.00 0.00 23.12 21.62 2jmu s ALA 119 CO 0.78 -0.62 -0.23 -1.12 0.00 0.00 0.00 175.76 174.56 2jmu s SER 120 N 2.04 3.19 0.09 0.00 0.01 -1.26 -0.74 113.70 117.03 2jmu s SER 120 Ca -0.07 -0.50 -0.01 0.00 1.31 0.00 0.00 55.95 56.67 2jmu s SER 120 Cb -0.07 -1.08 -0.04 0.00 0.21 0.00 0.00 66.02 65.05 2jmu s SER 120 CO -0.18 0.22 0.02 0.72 0.41 0.00 0.00 173.24 174.43 2jmu s PHE 121 N 0.01 0.65 -0.29 2.43 -0.12 -0.44 -4.91 117.98 115.31 2jmu s PHE 121 Ca -0.08 -1.11 -0.23 0.00 -0.05 0.00 0.00 56.93 55.45 2jmu s PHE 121 Cb -0.15 -0.41 -0.00 0.00 -0.63 0.00 0.00 43.02 41.83 2jmu s PHE 121 CO 0.05 -0.45 0.77 0.42 -0.05 0.00 0.00 175.22 175.96 2jmu s ILE 122 N -3.97 4.83 -0.29 -4.49 1.09 -1.26 -0.94 121.20 116.15 2jmu s ILE 122 Ca 0.14 1.23 -0.18 0.00 -1.10 0.00 0.00 60.65 60.74 2jmu s ILE 122 Cb 0.08 -4.11 -0.02 0.00 -1.06 0.00 0.00 42.46 37.34 2jmu s ILE 122 CO -0.05 -0.19 0.54 -0.89 -0.10 0.00 0.00 174.94 174.25 2jmu s THR 123 N 2.88 5.03 -0.11 2.92 2.01 0.29 -0.88 115.64 127.77 2jmu s THR 123 Ca 0.32 0.73 0.01 0.00 0.31 0.00 0.00 61.69 63.05 2jmu s THR 123 Cb -0.14 -3.90 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 2jmu s THR 123 CO 0.11 -0.04 -0.13 -0.89 -0.69 0.00 0.00 174.62 172.98 2jmu s THR 124 N 2.40 3.08 -0.09 -0.82 2.01 0.09 -1.24 115.64 121.08 2jmu s THR 124 Ca 0.21 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.59 2jmu s THR 124 Cb -0.15 -2.28 -0.01 0.00 0.01 0.00 0.00 72.50 70.07 2jmu s THR 124 CO 0.11 0.54 -0.22 -0.60 -0.69 0.00 0.00 174.62 173.75 2jmu s ARG 125 N 0.12 2.89 -0.25 4.92 6.06 0.12 -0.58 118.95 132.23 2jmu s ARG 125 Ca -0.06 -0.85 -0.04 0.00 -2.50 0.00 0.00 55.73 52.28 2jmu s ARG 125 Cb -0.15 -2.30 0.08 0.00 0.06 0.00 0.00 34.95 32.65 2jmu s ARG 125 CO 0.05 0.28 0.11 0.45 -2.50 0.00 0.00 175.30 173.68 2jmu s SER 126 N 0.11 3.16 -0.22 -2.12 0.15 0.12 -0.68 113.70 114.22 2jmu s SER 126 Ca -0.11 -1.07 -0.07 0.00 0.70 0.00 0.00 55.95 55.40 2jmu s SER 126 Cb -0.16 -0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 63.73 2jmu s SER 126 CO 0.06 -0.40 0.04 -0.44 1.20 0.00 0.00 173.24 173.71 2jmu s SER 127 N 2.04 5.10 0.14 5.45 0.01 0.86 0.44 113.70 127.75 2jmu s SER 127 Ca 0.06 -0.16 0.10 0.00 1.31 0.00 0.00 55.95 57.26 2jmu s SER 127 Cb -0.16 -1.90 -0.04 0.00 0.21 0.00 0.00 66.02 64.13 2jmu s SER 127 CO -0.25 0.03 -0.23 0.26 0.41 0.00 0.00 173.24 173.47 2jmu s TRP 128 N 1.21 2.05 -0.03 2.43 0.52 0.11 -0.98 118.94 124.26 2jmu s TRP 128 Ca 0.04 -0.40 -0.04 0.00 0.02 0.00 0.00 56.10 55.72 2jmu s TRP 128 Cb -0.14 -1.08 0.01 0.00 -1.15 0.00 0.00 33.47 31.10 2jmu s TRP 128 CO 0.03 0.33 0.10 -1.59 0.02 0.00 0.00 176.95 175.84 2jmu s LYS 129 N -2.27 0.20 -0.04 4.98 -2.85 0.65 0.12 119.74 120.53 2jmu s LYS 129 Ca 0.13 -0.01 0.04 0.00 -1.00 0.00 0.00 55.97 55.14 2jmu s LYS 129 Cb -0.09 0.09 -0.00 0.00 -2.06 0.00 0.00 37.83 35.77 2jmu s LYS 129 CO 0.06 -0.03 -0.17 -1.17 0.10 0.00 0.00 175.35 174.14 2jmu s LEU 130 N -0.32 1.94 -0.44 2.77 0.20 0.09 0.48 118.68 123.39 2jmu s LEU 130 Ca -0.04 -0.35 -0.19 0.00 0.69 0.00 0.00 54.13 54.24 2jmu s LEU 130 Cb -0.03 -0.96 0.03 0.00 -0.43 0.00 0.00 46.19 44.80 2jmu s LEU 130 CO 0.00 0.16 0.55 0.00 -0.29 0.00 0.00 176.35 176.77 2jmu s ALA 131 N -0.04 3.39 0.30 5.97 0.00 -1.26 -1.76 121.76 128.35 2jmu s ALA 131 Ca -0.02 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 50.57 2jmu s ALA 131 Cb -0.11 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 2jmu s ALA 131 CO 0.02 -1.72 0.48 -0.51 0.00 0.00 0.00 175.76 174.03 2jmu s LEU 132 N 2.49 4.13 -0.28 0.00 1.02 -0.57 -4.97 118.68 120.50 2jmu s LEU 132 Ca 0.17 0.32 -0.03 0.00 0.02 0.00 0.00 54.13 54.61 2jmu s LEU 132 Cb -0.16 -3.15 0.11 0.00 0.02 0.00 0.00 46.19 43.01 2jmu s LEU 132 CO 0.16 -0.21 0.19 -0.55 0.02 0.00 0.00 176.35 175.96 2jmu s SER 133 N -3.97 2.79 -0.19 2.29 0.15 -1.26 -3.13 113.70 110.38 2jmu s SER 133 Ca 0.38 -1.05 -0.27 0.00 0.70 0.00 0.00 55.95 55.71 2jmu s SER 133 Cb -0.09 -0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.18 2jmu s SER 133 CO 0.33 -0.42 0.93 -0.83 1.20 0.00 0.00 173.24 174.45 2jmu s GLY 134 N 2.20 1.98 -0.98 9.45 0.00 0.59 -4.94 107.32 115.62 2jmu s GLY 134 Ca 0.09 0.12 -0.24 0.00 0.00 0.00 0.00 44.72 44.69 2jmu s GLY 134 CO -0.34 1.89 1.79 0.00 0.00 0.00 0.00 173.10 176.44 2jmu s ALA 135 N 2.54 2.06 0.00 3.20 0.00 -1.26 -2.23 121.76 126.07 2jmu s ALA 135 Ca 0.41 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.53 2jmu s ALA 135 Cb -0.16 -4.56 0.00 0.00 0.00 0.00 0.00 23.12 18.40 2jmu s ALA 135 CO 0.11 -4.43 0.00 1.58 0.00 0.00 0.00 175.76 173.01 2jmu n HIS 136 N 12.26 0.00 0.00 0.00 -0.00 -1.26 -5.02 115.22 121.20 2jmu n HIS 136 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.11 2jmu n HIS 136 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.47 2jmu n HIS 136 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jmu n GLY 137 N 0.00 0.38 3.27 1.57 0.00 -0.95 -5.16 105.19 104.31 2jmu n GLY 137 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2jmu n GLY 137 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jmu s GLN 138 N 0.00 0.44 -0.41 1.61 2.00 -1.18 -5.05 119.66 117.07 2jmu s GLN 138 Ca 0.00 0.56 0.04 0.00 -2.00 0.00 0.00 55.36 53.95 2jmu s GLN 138 Cb 0.00 0.19 0.11 0.00 0.80 0.00 0.00 33.01 34.11 2jmu s GLN 138 CO 0.00 -0.07 0.14 -1.21 -0.50 0.00 0.00 175.29 173.66 2jmu s GLU 139 N 0.33 1.59 -0.39 1.67 2.02 -1.26 -0.30 118.70 122.37 2jmu s GLU 139 Ca -0.01 -2.10 -0.18 0.00 0.02 0.00 0.00 54.97 52.70 2jmu s GLU 139 Cb -0.03 -3.11 0.01 0.00 0.10 0.00 0.00 34.13 31.10 2jmu s GLU 139 CO -0.01 -1.02 0.48 -1.25 0.02 0.00 0.00 175.26 173.48 2jmu s PRO 140 N 0.48 3.37 -0.63 0.39 0.04 -1.18 -4.93 135.00 132.54 2jmu s PRO 140 Ca 0.14 -0.45 -0.21 0.00 0.04 0.00 0.00 61.00 60.51 2jmu s PRO 140 Cb -0.22 -3.89 0.08 0.00 0.04 0.00 0.00 34.50 30.52 2jmu s PRO 140 CO -0.06 -0.76 0.85 -0.65 0.04 0.00 0.00 177.00 176.43 2jmu s GLN 141 N 2.31 3.08 0.03 4.56 1.11 -1.26 -1.51 119.66 127.98 2jmu s GLN 141 Ca 0.16 -1.04 0.02 0.00 0.01 0.00 0.00 55.36 54.51 2jmu s GLN 141 Cb -0.16 -4.24 -0.04 0.00 -1.01 0.00 0.00 33.01 27.56 2jmu s GLN 141 CO 0.14 -1.70 0.02 -0.48 0.01 0.00 0.00 175.29 173.28 2jmu s LEU 142 N 3.48 3.59 -0.13 2.90 0.05 -0.73 -4.15 118.68 123.69 2jmu s LEU 142 Ca 0.18 -0.03 -0.06 0.00 0.05 0.00 0.00 54.13 54.27 2jmu s LEU 142 Cb -0.20 -2.15 -0.04 0.00 -2.05 0.00 0.00 46.19 41.75 2jmu s LEU 142 CO 0.09 0.24 0.08 -0.89 -0.55 0.00 0.00 176.35 175.32 2jmu s THR 143 N -1.19 4.96 -0.23 5.48 2.01 -0.75 -0.73 115.64 125.19 2jmu s THR 143 Ca 0.23 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.22 2jmu s THR 143 Cb -0.12 -3.17 0.02 0.00 0.01 0.00 0.00 72.50 69.24 2jmu s THR 143 CO 0.14 0.56 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.92 2jmu s ILE 144 N -0.50 2.85 -0.22 1.82 1.01 0.32 -0.23 121.20 126.25 2jmu s ILE 144 Ca 0.11 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 59.79 2jmu s ILE 144 Cb -0.12 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 2jmu s ILE 144 CO 0.02 0.30 0.03 -0.62 0.00 0.00 0.00 174.94 174.67 2jmu s ASP 145 N 1.35 5.01 -0.24 3.58 2.15 0.15 0.10 116.67 128.77 2jmu s ASP 145 Ca 0.02 -0.18 -0.08 0.00 0.43 0.00 0.00 52.55 52.75 2jmu s ASP 145 Cb -0.16 -1.87 -0.03 0.00 -0.30 0.00 0.00 42.92 40.56 2jmu s ASP 145 CO -0.05 0.04 0.08 -0.76 -0.17 0.00 0.00 175.17 174.30 2jmu s LEU 146 N 1.16 3.57 -0.26 -1.34 1.02 0.17 0.09 118.68 123.08 2jmu s LEU 146 Ca 0.03 -0.13 -0.03 0.00 0.02 0.00 0.00 54.13 54.03 2jmu s LEU 146 Cb -0.14 -1.95 0.02 0.00 0.02 0.00 0.00 46.19 44.14 2jmu s LEU 146 CO 0.02 0.01 -0.02 -0.62 0.02 0.00 0.00 176.35 175.76 2jmu s ASP 147 N 1.36 4.54 0.21 2.29 2.15 -0.39 0.14 116.67 126.97 2jmu s ASP 147 Ca 0.05 -0.87 0.07 0.00 0.43 0.00 0.00 52.55 52.23 2jmu s ASP 147 Cb -0.15 -1.72 -0.05 0.00 -0.30 0.00 0.00 42.92 40.71 2jmu s ASP 147 CO 0.04 -0.15 -0.11 -0.94 -0.17 0.00 0.00 175.17 173.84 2jmu s SER 148 N 1.36 2.41 0.05 -0.34 1.04 0.25 -0.70 113.70 117.78 2jmu s SER 148 Ca 0.00 -1.07 -0.05 0.00 0.48 0.00 0.00 55.95 55.32 2jmu s SER 148 Cb -0.17 -0.11 -0.02 0.00 0.10 0.00 0.00 66.02 65.82 2jmu s SER 148 CO -0.03 -0.26 0.07 0.00 0.98 0.00 0.00 173.24 174.00 2jmu s ALA 149 N -3.08 0.10 0.28 5.32 0.00 0.83 -0.73 121.76 124.48 2jmu s ALA 149 Ca 0.23 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.39 2jmu s ALA 149 Cb 0.01 0.32 0.40 0.00 0.00 0.00 0.00 23.12 23.85 2jmu s ALA 149 CO 0.07 -0.38 1.79 0.22 0.00 0.00 0.00 175.76 177.46 2jmu h ASP 150 N 3.28 0.70 -1.49 0.00 3.58 -1.31 -3.16 116.42 118.01 2jmu h ASP 150 Ca -0.33 -0.16 -0.74 0.00 0.42 0.00 0.00 57.03 56.22 2jmu h ASP 150 Cb 1.17 -0.18 -0.15 0.00 1.72 0.00 0.00 39.33 41.89 2jmu h ASP 150 CO 0.57 0.76 1.91 0.49 -2.88 0.00 0.00 179.24 180.08 2jmu n PHE 151 N -4.23 3.86 -3.83 0.28 3.72 -1.26 -4.72 117.46 111.28 2jmu n PHE 151 Ca 0.02 -3.01 -0.29 0.00 -0.05 0.00 0.00 57.45 54.12 2jmu n PHE 151 Cb 0.28 -2.14 0.01 0.00 -0.94 0.00 0.00 39.48 36.69 2jmu n PHE 151 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jmu n GLY 152 N 3.58 -0.62 2.77 1.37 0.00 -1.25 -4.57 105.19 106.48 2jmu n GLY 152 Ca 0.41 0.30 -0.15 0.00 0.00 0.00 0.00 46.02 46.58 2jmu n GLY 152 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jmu s TYR 153 N -3.69 0.03 -0.23 1.61 5.04 -1.19 -4.90 117.35 114.02 2jmu s TYR 153 Ca 0.25 0.14 -0.05 0.00 -2.44 0.00 0.00 57.07 54.97 2jmu s TYR 153 Cb -0.10 -0.25 0.11 0.00 0.35 0.00 0.00 41.96 42.08 2jmu s TYR 153 CO 0.88 -0.10 0.43 0.00 -1.34 0.00 0.00 175.55 175.42 2jmu s ALA 154 N 1.12 -1.25 0.15 3.97 0.00 -1.25 -0.12 121.76 124.38 2jmu s ALA 154 Ca -0.09 1.35 0.10 0.00 0.00 0.00 0.00 51.96 53.33 2jmu s ALA 154 Cb -0.13 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 2jmu s ALA 154 CO -0.03 -0.99 -0.24 0.54 0.00 0.00 0.00 175.76 175.04 2jmu s VAL 155 N 2.62 2.16 -0.06 0.00 0.11 0.12 -4.11 120.40 121.24 2jmu s VAL 155 Ca 0.05 -1.84 0.04 0.00 -2.93 0.00 0.00 61.98 57.29 2jmu s VAL 155 Cb -0.13 -1.96 0.00 0.00 -1.53 0.00 0.00 36.38 32.76 2jmu s VAL 155 CO -0.15 -0.05 -0.17 -0.83 -3.33 0.00 0.00 175.10 170.57 2jmu s GLY 156 N -2.32 0.95 -0.09 6.54 0.00 0.33 -1.27 107.32 111.47 2jmu s GLY 156 Ca 0.15 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.23 2jmu s GLY 156 CO 0.07 -0.20 -0.07 -0.54 0.00 0.00 0.00 173.10 172.37 2jmu s GLU 157 N 0.29 1.32 -0.17 2.90 2.02 0.11 0.06 118.70 125.23 2jmu s GLU 157 Ca -0.10 -0.21 -0.06 0.00 0.02 0.00 0.00 54.97 54.62 2jmu s GLU 157 Cb -0.14 -1.34 -0.04 0.00 0.10 0.00 0.00 34.13 32.71 2jmu s GLU 157 CO 0.04 -0.18 0.04 0.08 0.02 0.00 0.00 175.26 175.25 2jmu s VAL 158 N 1.41 4.58 -0.13 2.63 1.01 0.14 0.30 120.40 130.33 2jmu s VAL 158 Ca -0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 2jmu s VAL 158 Cb -0.13 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.22 2jmu s VAL 158 CO -0.04 0.48 -0.11 -0.70 0.00 0.00 0.00 175.10 174.73 2jmu s GLU 159 N 0.30 1.93 0.03 2.72 2.12 0.68 -1.57 118.70 124.91 2jmu s GLU 159 Ca 0.02 -0.41 0.04 0.00 0.36 0.00 0.00 54.97 54.97 2jmu s GLU 159 Cb -0.13 -1.86 -0.02 0.00 0.26 0.00 0.00 34.13 32.39 2jmu s GLU 159 CO 0.01 -0.25 -0.11 0.00 -0.54 0.00 0.00 175.26 174.37 2jmu s ALA 160 N 1.59 0.89 -0.10 6.30 0.00 -0.17 -1.80 121.76 128.48 2jmu s ALA 160 Ca 0.05 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.33 2jmu s ALA 160 Cb -0.13 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.89 2jmu s ALA 160 CO -0.10 0.14 -0.15 -1.64 0.00 0.00 0.00 175.76 174.02 2jmu s MET 161 N -1.04 2.17 -0.14 0.00 -1.94 -1.25 -0.16 119.30 116.94 2jmu s MET 161 Ca -0.01 -0.55 -0.02 0.00 -1.71 0.00 0.00 55.69 53.40 2jmu s MET 161 Cb -0.07 -1.83 -0.02 0.00 2.01 0.00 0.00 34.83 34.91 2jmu s MET 161 CO 0.01 -0.04 -0.06 0.08 -0.01 0.00 0.00 175.02 175.00 2jmu s VAL 162 N 0.91 3.68 -0.44 -6.03 1.01 0.70 -4.81 120.40 115.42 2jmu s VAL 162 Ca -0.08 -0.44 0.26 0.00 0.00 0.00 0.00 61.98 61.72 2jmu s VAL 162 Cb -0.15 -2.59 0.31 0.00 0.00 0.00 0.00 36.38 33.95 2jmu s VAL 162 CO -0.00 0.51 1.76 -0.74 0.00 0.00 0.00 175.10 176.63 2jmu h HIS 163 N 6.56 0.00 -3.62 5.22 2.76 -1.88 0.69 115.15 124.88 2jmu h HIS 163 Ca -0.31 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 57.53 2jmu h HIS 163 Cb 1.19 0.00 -0.17 0.00 1.55 0.00 0.00 27.41 29.99 2jmu h HIS 163 CO 0.53 0.00 -0.73 -1.83 -1.30 0.00 0.00 177.93 174.60 2jmu s GLU 164 N -3.29 0.93 0.49 5.26 1.03 -1.26 -4.72 118.70 117.13 2jmu s GLU 164 Ca 0.06 -1.26 0.28 0.00 0.03 0.00 0.00 54.97 54.08 2jmu s GLU 164 Cb 0.09 -0.58 0.80 0.00 -0.80 0.00 0.00 34.13 33.64 2jmu s GLU 164 CO 0.55 0.08 1.78 -0.22 -1.33 0.00 0.00 175.26 176.12 2jmu h LYS 165 N 3.29 0.00 -0.02 -4.83 3.64 -1.98 -3.23 116.57 113.44 2jmu h LYS 165 Ca -0.37 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2jmu h LYS 165 Cb 1.19 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2jmu h LYS 165 CO 0.56 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.75 2jmu h ALA 166 N 2.00 1.96 -0.13 5.00 0.00 -1.97 -2.34 119.26 123.78 2jmu h ALA 166 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jmu h ALA 166 Cb 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2jmu h ALA 166 CO 0.00 0.03 0.00 0.39 0.00 0.00 0.00 179.25 179.67 2jmu n GLU 167 N -4.52 1.76 0.34 0.00 -0.58 -1.22 -4.69 120.64 111.73 2jmu n GLU 167 Ca -0.03 -1.74 -0.18 0.00 -0.42 0.00 0.00 57.16 54.80 2jmu n GLU 167 Cb 0.10 -1.36 -0.09 0.00 -0.57 0.00 0.00 31.44 29.52 2jmu n GLU 167 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2jmu h VAL 168 N 3.49 0.31 -0.74 2.62 2.07 -1.54 0.49 116.25 122.95 2jmu h VAL 168 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2jmu h VAL 168 Cb 0.78 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 2jmu h VAL 168 CO 0.00 0.00 0.49 -0.65 0.02 0.00 0.00 177.57 177.43 2jmu h PRO 169 N -0.89 0.98 0.15 1.57 0.11 -1.84 0.14 132.00 132.22 2jmu h PRO 169 Ca -0.08 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 2jmu h PRO 169 Cb 0.70 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2jmu h PRO 169 CO 0.10 0.65 -0.07 0.00 -0.21 0.00 0.00 178.00 178.47 2jmu h ALA 170 N 1.54 -0.20 -0.34 -0.75 0.00 -1.82 -1.18 119.26 116.51 2jmu h ALA 170 Ca 0.27 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2jmu h ALA 170 Cb -0.12 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2jmu h ALA 170 CO -0.06 -0.61 0.07 0.00 0.00 0.00 0.00 179.25 178.65 2jmu h ALA 171 N 0.65 0.45 -0.24 0.00 0.00 -0.34 -0.18 119.26 119.59 2jmu h ALA 171 Ca -0.02 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2jmu h ALA 171 Cb 0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2jmu h ALA 171 CO 0.03 0.13 0.07 1.25 0.00 0.00 0.00 179.25 180.73 2jmu h LEU 172 N 0.39 0.07 -0.73 0.00 7.12 -0.66 -0.25 115.31 121.25 2jmu h LEU 172 Ca 0.10 0.03 -0.13 0.00 0.13 0.00 0.00 57.88 58.01 2jmu h LEU 172 Cb 0.32 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.46 2jmu h LEU 172 CO 0.00 0.07 -0.47 -0.33 -0.13 0.00 0.00 178.44 177.58 2jmu h GLU 173 N 0.18 0.39 -0.90 1.25 5.08 -1.17 -2.40 114.58 117.01 2jmu h GLU 173 Ca 0.11 -0.22 0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2jmu h GLU 173 Cb 0.08 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 2jmu h GLU 173 CO -0.12 0.78 0.58 -0.22 -1.00 0.00 0.00 179.01 179.04 2jmu h LYS 174 N 0.31 1.09 0.02 2.33 1.63 -0.35 0.30 116.57 121.91 2jmu h LYS 174 Ca 0.02 -0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.76 2jmu h LYS 174 Cb 0.95 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 2jmu h LYS 174 CO 0.08 0.72 -0.07 0.82 -3.45 0.00 0.00 179.45 177.55 2jmu h ILE 175 N 1.13 0.82 -0.67 2.00 2.04 -0.69 -0.40 117.51 121.73 2jmu h ILE 175 Ca 0.36 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.19 2jmu h ILE 175 Cb 0.01 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2jmu h ILE 175 CO -0.12 0.00 0.29 0.40 0.00 0.00 0.00 178.15 178.72 2jmu h ILE 176 N -0.14 1.22 0.13 -0.67 1.08 -0.85 0.16 117.51 118.45 2jmu h ILE 176 Ca 0.02 -0.67 -0.01 0.00 -0.39 0.00 0.00 64.86 63.82 2jmu h ILE 176 Cb 0.16 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 2jmu h ILE 176 CO -0.06 0.27 -0.06 0.74 -0.69 0.00 0.00 178.15 178.35 2jmu h THR 177 N 0.96 0.91 -0.55 -0.27 2.02 -0.12 0.37 112.91 116.23 2jmu h THR 177 Ca 0.23 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 67.23 2jmu h THR 177 Cb 0.14 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 2jmu h THR 177 CO -0.03 0.03 0.12 0.58 0.37 0.00 0.00 175.52 176.59 2jmu h VAL 178 N -0.23 1.23 -0.43 3.16 2.07 -0.64 0.18 116.25 121.59 2jmu h VAL 178 Ca -0.02 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.67 2jmu h VAL 178 Cb 0.18 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2jmu h VAL 178 CO 0.03 0.32 0.26 0.28 0.02 0.00 0.00 177.57 178.47 2jmu h SER 179 N 0.82 0.41 0.76 0.57 0.02 -0.41 0.13 113.55 115.84 2jmu h SER 179 Ca 0.18 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.05 2jmu h SER 179 Cb 0.32 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2jmu h SER 179 CO 0.00 0.30 -0.40 -1.28 -1.14 0.00 0.00 176.83 174.30 2jmu h SER 180 N 0.52 0.00 0.86 3.07 0.87 -0.38 0.35 113.55 118.82 2jmu h SER 180 Ca 0.17 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.56 2jmu h SER 180 Cb 0.01 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 2jmu h SER 180 CO -0.08 0.40 -0.83 -0.03 -0.53 0.00 0.00 176.83 175.76 2jmu h MET 181 N 0.00 0.00 0.00 2.24 -1.53 -0.18 -3.22 114.93 112.24 2jmu h MET 181 Ca -0.00 0.00 -0.28 0.00 -3.44 0.00 0.00 59.70 55.98 2jmu h MET 181 Cb 0.89 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 31.89 2jmu h MET 181 CO 0.05 0.83 -1.65 -0.07 0.14 0.00 0.00 176.91 176.21 2jmu h LEU 182 N 0.00 0.00 0.00 3.39 3.38 -0.51 -3.50 115.31 118.08 2jmu h LEU 182 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jmu h LEU 182 Cb 1.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2jmu h LEU 182 CO 0.11 0.98 0.00 0.61 0.09 0.00 0.00 178.44 180.22 2jmu n GLY 183 N 1.53 0.06 3.06 0.83 0.00 0.12 -0.90 105.19 109.90 2jmu n GLY 183 Ca -0.15 0.54 -0.27 0.00 0.00 0.00 0.00 46.02 46.13 2jmu n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jmu s VAL 184 N 2.80 1.38 0.40 1.61 1.01 -0.32 -4.05 120.40 123.25 2jmu s VAL 184 Ca 0.00 -0.61 -0.27 0.00 0.00 0.00 0.00 61.98 61.11 2jmu s VAL 184 Cb 0.00 -1.25 -0.10 0.00 0.00 0.00 0.00 36.38 35.03 2jmu s VAL 184 CO 0.00 0.41 1.41 -2.65 0.00 0.00 0.00 175.10 174.28 2jmu n PRO 185 N 3.91 2.36 -0.09 2.72 -0.02 -1.26 0.71 135.00 143.32 2jmu n PRO 185 Ca -0.21 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2jmu n PRO 185 Cb 0.52 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 2jmu n PRO 185 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jmu n ALA 186 N 0.11 0.00 -3.21 3.55 0.00 0.19 -4.72 120.51 116.43 2jmu n ALA 186 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 2jmu n ALA 186 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.83 2jmu n ALA 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jmu n GLN 187 N 0.00 0.15 0.00 0.00 10.64 -1.26 -4.07 117.38 122.84 2jmu n GLN 187 Ca 0.00 -0.43 0.00 0.00 -1.83 0.00 0.00 57.00 54.74 2jmu n GLN 187 Cb 0.00 0.34 0.00 0.00 -0.86 0.00 0.00 30.24 29.72 2jmu n GLN 187 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2jmu n GLU 188 N -0.09 0.50 -1.02 2.61 1.02 -1.26 -4.27 120.64 118.13 2jmu n GLU 188 Ca 0.01 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.97 2jmu n GLU 188 Cb 0.08 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 2jmu n GLU 188 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2jmu n GLU 189 N 0.26 1.92 -1.54 3.49 0.28 -1.26 -4.76 120.64 119.03 2jmu n GLU 189 Ca 0.00 -1.65 -0.46 0.00 -0.16 0.00 0.00 57.16 54.90 2jmu n GLU 189 Cb 0.13 -1.73 -0.04 0.00 1.43 0.00 0.00 31.44 31.22 2jmu n GLU 189 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jmu n ALA 190 N 0.64 1.52 -2.14 -1.84 0.00 -1.26 -4.94 120.51 112.49 2jmu n ALA 190 Ca 0.34 -0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.27 2jmu n ALA 190 Cb 0.58 -2.80 -0.03 0.00 0.00 0.00 0.00 19.45 17.20 2jmu n ALA 190 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jmu s PRO 191 N 6.39 3.82 0.41 0.00 0.05 -1.26 -4.73 135.00 139.67 2jmu s PRO 191 Ca 1.04 0.54 -0.24 0.00 0.05 0.00 0.00 61.00 62.40 2jmu s PRO 191 Cb -0.52 -2.36 -0.09 0.00 0.05 0.00 0.00 34.50 31.58 2jmu s PRO 191 CO 0.40 -0.05 1.04 0.00 0.05 0.00 0.00 177.00 178.44 2jmu s ALA 192 N -2.37 3.06 0.13 8.56 0.00 -1.26 -4.91 121.76 124.97 2jmu s ALA 192 Ca 0.52 0.68 -0.19 0.00 0.00 0.00 0.00 51.96 52.97 2jmu s ALA 192 Cb -0.10 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 2jmu s ALA 192 CO 0.30 -0.21 1.72 -0.22 0.00 0.00 0.00 175.76 177.36 2jmu h LYS 193 N 2.39 0.08 0.00 0.00 3.64 -1.99 -0.37 116.57 120.32 2jmu h LYS 193 Ca -0.48 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.86 2jmu h LYS 193 Cb 1.21 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 2jmu h LYS 193 CO 0.62 0.05 -0.17 1.25 -2.27 0.00 0.00 179.45 178.93 2jmu h LEU 194 N 0.08 0.00 -0.75 5.20 7.12 -1.99 -1.75 115.31 123.22 2jmu h LEU 194 Ca 0.11 0.00 -0.13 0.00 0.13 0.00 0.00 57.88 57.99 2jmu h LEU 194 Cb 0.13 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.25 2jmu h LEU 194 CO -0.18 0.17 -0.43 -0.03 -0.13 0.00 0.00 178.44 177.84 2jmu h MET 195 N 0.00 0.42 -0.78 1.25 4.05 -1.50 -1.79 114.93 116.58 2jmu h MET 195 Ca -0.00 -0.22 -0.05 0.00 -0.28 0.00 0.00 59.70 59.15 2jmu h MET 195 Cb 0.51 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.28 2jmu h MET 195 CO 0.02 0.78 0.28 0.28 0.23 0.00 0.00 176.91 178.51 2jmu h VAL 196 N 0.35 1.26 -0.15 -5.77 2.07 -0.25 0.37 116.25 114.13 2jmu h VAL 196 Ca 0.03 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 2jmu h VAL 196 Cb 0.90 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2jmu h VAL 196 CO 0.08 0.35 -0.07 0.22 0.02 0.00 0.00 177.57 178.16 2jmu h TYR 197 N 1.14 0.23 -0.11 1.57 3.20 -1.31 -1.53 116.97 120.17 2jmu h TYR 197 Ca 0.26 -0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.97 2jmu h TYR 197 Cb 0.26 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 2jmu h TYR 197 CO 0.02 0.31 -0.56 -0.07 -1.64 0.00 0.00 178.16 176.22 2jmu h LEU 198 N 0.22 0.35 -0.77 2.82 3.38 0.29 -1.69 115.31 119.92 2jmu h LEU 198 Ca 0.05 -0.19 0.13 0.00 0.09 0.00 0.00 57.88 57.96 2jmu h LEU 198 Cb 0.27 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.83 2jmu h LEU 198 CO 0.01 0.84 0.35 1.56 0.09 0.00 0.00 178.44 181.29 2jmu h GLN 199 N 0.24 0.52 0.02 1.13 4.20 0.61 0.83 115.11 122.66 2jmu h GLN 199 Ca 0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2jmu h GLN 199 Cb 1.05 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2jmu h GLN 199 CO 0.09 0.34 -0.01 0.00 -0.67 0.00 0.00 178.83 178.58 2jmu h ARG 200 N 0.53 -0.02 0.00 1.46 -0.00 -1.38 -3.36 114.38 111.62 2jmu h ARG 200 Ca 0.41 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.83 2jmu h ARG 200 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.53 2jmu h ARG 200 CO -0.36 0.51 -1.75 1.19 0.00 0.00 0.00 179.97 179.56 2jmu n PHE 201 N -4.84 0.34 -2.74 3.04 3.72 -0.65 -4.80 117.46 111.52 2jmu n PHE 201 Ca -0.09 0.10 -0.04 0.00 -0.05 0.00 0.00 57.45 57.38 2jmu n PHE 201 Cb 0.27 -0.74 0.02 0.00 -0.94 0.00 0.00 39.48 38.09 2jmu n PHE 201 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 2jmu n ARG 202 N -2.49 0.46 0.24 -1.08 1.85 0.28 -5.05 116.66 110.87 2jmu n ARG 202 Ca -0.07 -1.78 0.08 0.00 -1.00 0.00 0.00 57.85 55.08 2jmu n ARG 202 Cb 0.67 -1.15 0.58 0.00 -1.05 0.00 0.00 32.46 31.51 2jmu n ARG 202 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 2jmu h PRO 203 N 4.81 0.00 -0.16 2.89 0.11 -1.63 -2.68 132.00 135.34 2jmu h PRO 203 Ca 0.04 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.96 2jmu h PRO 203 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2jmu h PRO 203 CO -0.01 0.19 -0.67 1.25 -0.21 0.00 0.00 178.00 178.55 2jmu h LEU 204 N 0.00 0.72 -0.83 2.35 7.12 -1.93 -0.27 115.31 122.48 2jmu h LEU 204 Ca -0.00 -0.44 -0.06 0.00 0.13 0.00 0.00 57.88 57.50 2jmu h LEU 204 Cb 0.41 -0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 40.30 2jmu h LEU 204 CO 0.02 1.20 0.15 0.44 -0.13 0.00 0.00 178.44 180.12 2jmu h ASP 205 N 0.45 0.97 0.07 1.25 5.19 -1.86 -2.21 116.42 120.28 2jmu h ASP 205 Ca -0.02 -0.20 -0.00 0.00 -0.62 0.00 0.00 57.03 56.19 2jmu h ASP 205 Cb 1.26 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.52 2jmu h ASP 205 CO 0.13 0.94 -0.03 0.22 -3.12 0.00 0.00 179.24 177.38 2jmu h TYR 206 N 0.98 -0.09 -0.30 4.55 3.20 -1.15 -2.65 116.97 121.50 2jmu h TYR 206 Ca 0.21 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.11 2jmu h TYR 206 Cb 0.36 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 2jmu h TYR 206 CO 0.03 -0.05 0.10 1.96 -1.64 0.00 0.00 178.16 178.55 2jmu h GLN 207 N -0.10 0.22 -0.91 1.82 4.20 -0.63 0.54 115.11 120.24 2jmu h GLN 207 Ca -0.01 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.75 2jmu h GLN 207 Cb 0.08 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.75 2jmu h GLN 207 CO 0.02 0.14 0.57 0.00 -0.67 0.00 0.00 178.83 178.89 2jmu h ARG 208 N 0.23 1.01 -0.18 1.46 3.08 -1.38 0.30 114.38 118.89 2jmu h ARG 208 Ca 0.14 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 59.95 2jmu h ARG 208 Cb 0.11 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 2jmu h ARG 208 CO -0.15 0.67 -0.62 1.25 -1.07 0.00 0.00 179.97 180.05 2jmu h LEU 209 N 1.04 0.72 -0.29 3.04 5.85 -1.07 -3.23 115.31 121.38 2jmu h LEU 209 Ca 0.39 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 2jmu h LEU 209 Cb 0.17 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2jmu h LEU 209 CO -0.17 1.17 0.07 0.25 -0.34 0.00 0.00 178.44 179.41 2jmu h LEU 210 N 0.47 0.44 -1.80 2.25 5.85 0.18 -1.80 115.31 120.90 2jmu h LEU 210 Ca -0.01 -0.23 0.12 0.00 0.84 0.00 0.00 57.88 58.60 2jmu h LEU 210 Cb 1.20 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 2jmu h LEU 210 CO 0.12 0.55 0.38 -0.33 -0.34 0.00 0.00 178.44 178.82 2jmu h GLU 211 N 0.30 0.22 -0.03 1.25 5.08 -0.53 0.74 114.58 121.60 2jmu h GLU 211 Ca 0.09 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 2jmu h GLU 211 Cb 0.29 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.50 2jmu h GLU 211 CO 0.00 0.14 -0.29 0.00 -1.00 0.00 0.00 179.01 177.86 2jmu h ALA 212 N 1.73 0.07 -0.65 3.43 0.00 -1.50 -2.63 119.26 119.71 2jmu h ALA 212 Ca 0.26 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2jmu h ALA 212 Cb 0.72 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2jmu h ALA 212 CO -0.05 0.13 0.21 0.00 0.00 0.00 0.00 179.25 179.54 2jmu h ALA 213 N 0.33 1.15 -0.55 0.00 0.00 -0.27 -1.91 119.26 118.00 2jmu h ALA 213 Ca -0.03 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.70 2jmu h ALA 213 Cb 1.00 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2jmu h ALA 213 CO 0.06 0.59 0.36 1.03 0.00 0.00 0.00 179.25 181.30 2jmu h SER 214 N 0.96 0.58 0.14 0.00 0.87 0.40 -0.10 113.55 116.39 2jmu h SER 214 Ca 0.22 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2jmu h SER 214 Cb 0.26 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2jmu h SER 214 CO -0.01 0.41 -0.04 -1.20 -0.53 0.00 0.00 176.83 175.46 2jmu n SER 215 N -4.46 0.61 -4.17 6.23 7.64 -0.75 -4.53 113.62 114.20 2jmu n SER 215 Ca 0.06 -0.98 -0.39 0.00 1.01 0.00 0.00 58.87 58.57 2jmu n SER 215 Cb 0.10 -0.03 -0.10 0.00 -1.01 0.00 0.00 64.21 63.17 2jmu n SER 215 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2jmu s GLY 216 N -2.18 2.03 -0.20 0.23 0.00 -0.05 -5.04 107.32 102.11 2jmu s GLY 216 Ca 0.38 -2.57 -0.28 0.00 0.00 0.00 0.00 44.72 42.25 2jmu s GLY 216 CO 0.40 1.07 2.20 -2.21 0.00 0.00 0.00 173.10 174.57 2jmu n GLU 217 N 4.71 2.04 -3.51 2.90 2.13 -1.26 -4.91 120.64 122.74 2jmu n GLU 217 Ca -0.05 0.58 -0.42 0.00 0.66 0.00 0.00 57.16 57.94 2jmu n GLU 217 Cb 0.41 -3.22 -0.07 0.00 0.27 0.00 0.00 31.44 28.83 2jmu n GLU 217 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jmu s ALA 218 N 8.00 3.57 0.03 4.31 0.00 -1.26 -5.02 121.76 131.38 2jmu s ALA 218 Ca 1.00 -2.77 0.01 0.00 0.00 0.00 0.00 51.96 50.20 2jmu s ALA 218 Cb -0.34 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 2jmu s ALA 218 CO 0.36 -2.01 -0.05 0.95 0.00 0.00 0.00 175.76 175.00 2jmu s THR 219 N 0.98 0.33 0.00 0.00 -4.23 -1.26 -5.12 115.64 106.35 2jmu s THR 219 Ca 0.09 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 2jmu s THR 219 Cb -0.23 -0.44 0.00 0.00 1.34 0.00 0.00 72.50 73.17 2jmu s THR 219 CO -0.02 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 2jmu n GLY 220 N 1.55 1.75 2.96 3.99 0.00 -1.26 -5.07 105.19 109.12 2jmu n GLY 220 Ca -0.23 -2.01 -0.31 0.00 0.00 0.00 0.00 46.02 43.47 2jmu n GLY 220 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jmu s ASP 221 N -1.00 4.55 -0.29 1.61 2.15 -1.26 -5.01 116.67 117.43 2jmu s ASP 221 Ca 0.00 -2.32 0.04 0.00 0.43 0.00 0.00 52.55 50.70 2jmu s ASP 221 Cb 0.00 -1.53 0.19 0.00 -0.30 0.00 0.00 42.92 41.28 2jmu s ASP 221 CO 0.00 -0.35 0.57 -0.55 -0.17 0.00 0.00 175.17 174.67 2jmu s SER 222 N 0.69 -1.33 -0.04 -0.34 0.15 -1.26 -5.07 113.70 106.50 2jmu s SER 222 Ca 0.12 0.29 -0.04 0.00 0.70 0.00 0.00 55.95 57.02 2jmu s SER 222 Cb -0.21 1.95 -0.02 0.00 -1.71 0.00 0.00 66.02 66.03 2jmu s SER 222 CO -0.08 -0.30 0.25 0.00 1.20 0.00 0.00 173.24 174.32 2jmu h ALA 223 N 8.02 -0.23 0.00 5.45 0.00 -1.95 -3.43 119.26 127.12 2jmu h ALA 223 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jmu h ALA 223 Cb 1.18 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2jmu h ALA 223 CO 0.19 -0.22 0.00 0.45 0.00 0.00 0.00 179.25 179.67