#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 3.64 0.17 7.33 0.00 -1.26 -5.02 121.76 126.61 2jmu s ALA 2 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.93 2jmu s ALA 2 Cb 0.00 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.78 2jmu s ALA 2 CO 0.00 -0.91 0.04 1.04 0.00 0.00 0.00 175.76 175.93 2jmu n GLN 3 N 5.95 0.96 0.00 0.00 6.02 -1.26 -3.92 117.38 125.13 2jmu n GLN 3 Ca 0.07 -1.36 0.00 0.00 -0.01 0.00 0.00 57.00 55.70 2jmu n GLN 3 Cb 0.47 0.65 0.00 0.00 1.02 0.00 0.00 30.24 32.38 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 1.47 0.59 3.79 1.08 0.00 -1.26 -4.66 105.19 106.21 2jmu n GLY 4 Ca -0.04 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 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 4.48 -0.24 0.99 1.02 -1.26 -4.84 118.68 118.82 2jmu s LEU 5 Ca 0.00 1.19 -0.29 0.00 0.02 0.00 0.00 54.13 55.05 2jmu s LEU 5 Cb 0.00 -2.87 -0.01 0.00 0.02 0.00 0.00 46.19 43.33 2jmu s LEU 5 CO 0.00 0.21 1.40 -0.63 0.02 0.00 0.00 176.35 177.35 2jmu s ILE 6 N -0.73 4.01 -0.31 -0.59 1.01 0.23 -4.69 121.20 120.11 2jmu s ILE 6 Ca 0.29 1.16 -0.25 0.00 0.00 0.00 0.00 60.65 61.85 2jmu s ILE 6 Cb -0.19 -3.97 0.01 0.00 0.01 0.00 0.00 42.46 38.32 2jmu s ILE 6 CO 0.18 -0.35 0.87 -0.70 0.00 0.00 0.00 174.94 174.94 2jmu s GLU 7 N 4.21 3.98 -0.28 2.79 2.12 -1.26 -0.42 118.70 129.84 2jmu s GLU 7 Ca 0.61 0.71 -0.05 0.00 0.36 0.00 0.00 54.97 56.60 2jmu s GLU 7 Cb -0.21 -3.74 0.02 0.00 0.26 0.00 0.00 34.13 30.46 2jmu s GLU 7 CO 0.24 -0.76 0.03 0.14 -0.54 0.00 0.00 175.26 174.36 2jmu s VAL 8 N 3.18 3.55 -0.02 3.70 -7.23 0.15 -1.38 120.40 122.35 2jmu s VAL 8 Ca 0.36 -0.82 0.05 0.00 -1.81 0.00 0.00 61.98 59.76 2jmu s VAL 8 Cb -0.13 -2.82 -0.03 0.00 0.56 0.00 0.00 36.38 33.96 2jmu s VAL 8 CO 0.14 0.12 -0.17 -1.83 -0.31 0.00 0.00 175.10 173.05 2jmu s GLU 9 N 1.43 2.33 0.32 4.82 -1.05 -1.26 -1.16 118.70 124.14 2jmu s GLU 9 Ca 0.02 -0.81 0.04 0.00 -0.15 0.00 0.00 54.97 54.07 2jmu s GLU 9 Cb -0.17 -2.28 -0.06 0.00 -0.44 0.00 0.00 34.13 31.18 2jmu s GLU 9 CO -0.00 0.59 0.05 -0.98 0.95 0.00 0.00 175.26 175.87 2jmu s ARG 10 N -0.92 1.65 0.02 -4.83 1.70 0.28 -4.94 118.95 111.91 2jmu s ARG 10 Ca 0.12 -1.91 0.03 0.00 -0.47 0.00 0.00 55.73 53.50 2jmu s ARG 10 Cb -0.10 -0.91 -0.02 0.00 -0.57 0.00 0.00 34.95 33.35 2jmu s ARG 10 CO 0.02 -0.17 -0.09 0.21 -1.08 0.00 0.00 175.30 174.20 2jmu s LYS 11 N -3.87 0.61 0.14 3.89 2.20 -1.26 -0.29 119.74 121.16 2jmu s LYS 11 Ca 0.36 -0.54 -0.03 0.00 -0.36 0.00 0.00 55.97 55.39 2jmu s LYS 11 Cb 0.08 -0.52 -0.03 0.00 -1.51 0.00 0.00 37.83 35.86 2jmu s LYS 11 CO 0.15 0.12 0.13 -0.59 -0.36 0.00 0.00 175.35 174.80 2jmu s PHE 12 N -0.77 0.73 -0.41 4.03 -0.71 0.12 -2.36 117.98 118.61 2jmu s PHE 12 Ca -0.02 -1.10 -0.09 0.00 -1.04 0.00 0.00 56.93 54.68 2jmu s PHE 12 Cb -0.06 -0.35 0.08 0.00 -1.21 0.00 0.00 43.02 41.47 2jmu s PHE 12 CO 0.00 -0.58 0.24 0.00 -1.34 0.00 0.00 175.22 173.55 2jmu s ALA 13 N -4.03 3.26 0.62 1.99 0.00 0.26 -0.81 121.76 123.06 2jmu s ALA 13 Ca 0.22 -2.13 -0.19 0.00 0.00 0.00 0.00 51.96 49.87 2jmu s ALA 13 Cb 0.06 -2.61 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 2jmu s ALA 13 CO 0.01 -1.63 1.21 -2.30 0.00 0.00 0.00 175.76 173.05 2jmu n PRO 14 N 4.89 1.11 0.00 0.00 -0.02 -1.26 -0.74 135.00 138.99 2jmu n PRO 14 Ca -0.10 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2jmu n PRO 14 Cb 0.43 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 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 1.01 -0.90 0.13 -1.23 0.00 -0.64 -4.76 105.19 98.81 2jmu n GLY 15 Ca 0.15 -1.61 0.14 0.00 0.00 0.00 0.00 46.02 44.70 2jmu n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jmu n PRO 16 N -0.03 0.73 -0.94 1.61 -0.04 -1.26 -4.03 135.00 131.04 2jmu n PRO 16 Ca 0.00 -0.26 0.01 0.00 -0.04 0.00 0.00 63.50 63.21 2jmu n PRO 16 Cb 0.00 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 2jmu n PRO 16 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2jmu n ASP 17 N -0.91 0.36 -0.18 3.54 5.68 -1.26 -4.95 116.55 118.83 2jmu n ASP 17 Ca 0.15 -1.94 -0.02 0.00 -0.50 0.00 0.00 54.79 52.47 2jmu n ASP 17 Cb 0.28 -0.20 0.05 0.00 -1.14 0.00 0.00 41.12 40.10 2jmu n ASP 17 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2jmu h THR 18 N 6.78 0.46 -0.43 2.12 2.02 -1.84 0.41 112.91 122.43 2jmu h THR 18 Ca -0.12 -0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.09 2jmu h THR 18 Cb 1.58 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.41 2jmu h THR 18 CO 0.03 0.00 0.20 -0.33 0.37 0.00 0.00 175.52 175.78 2jmu h GLU 19 N 0.00 0.39 -0.31 6.66 3.07 -1.92 0.44 114.58 122.91 2jmu h GLU 19 Ca 0.26 -0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 58.95 2jmu h GLU 19 Cb 0.40 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 2jmu h GLU 19 CO -0.56 0.26 -0.41 0.93 -1.40 0.00 0.00 179.01 177.83 2jmu h GLU 20 N 0.40 0.76 -0.65 2.33 3.07 -1.67 -2.34 114.58 116.48 2jmu h GLU 20 Ca 0.19 -0.40 -0.01 0.00 -0.50 0.00 0.00 59.36 58.64 2jmu h GLU 20 Cb 0.12 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.01 2jmu h GLU 20 CO -0.15 1.03 0.38 -0.09 -1.40 0.00 0.00 179.01 178.78 2jmu h ARG 21 N 0.62 0.90 -0.72 2.33 9.65 0.45 -1.70 114.38 125.90 2jmu h ARG 21 Ca 0.05 -0.09 0.03 0.00 -1.10 0.00 0.00 59.98 58.87 2jmu h ARG 21 Cb 0.96 -0.18 -0.05 0.00 -1.39 0.00 0.00 29.97 29.31 2jmu h ARG 21 CO 0.09 0.65 0.46 -0.07 2.80 0.00 0.00 179.97 183.90 2jmu h LEU 22 N 0.89 0.75 -1.21 3.80 3.38 0.04 0.30 115.31 123.25 2jmu h LEU 22 Ca 0.23 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 2jmu h LEU 22 Cb -0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2jmu h LEU 22 CO -0.04 0.52 0.01 1.56 0.09 0.00 0.00 178.44 180.58 2jmu h GLN 23 N 0.89 0.55 -0.22 1.13 4.20 -0.96 0.39 115.11 121.08 2jmu h GLN 23 Ca 0.29 -0.12 -0.19 0.00 0.06 0.00 0.00 58.65 58.69 2jmu h GLN 23 Cb 0.02 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2jmu h GLN 23 CO -0.11 0.57 -0.62 0.93 -0.67 0.00 0.00 178.83 178.92 2jmu h GLU 24 N 0.53 0.77 0.00 1.46 5.08 -0.39 -3.15 114.58 118.88 2jmu h GLU 24 Ca 0.11 -0.53 -0.08 0.00 -1.00 0.00 0.00 59.36 57.86 2jmu h GLU 24 Cb 0.32 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2jmu h GLU 24 CO 0.01 1.16 -0.37 -0.07 -1.00 0.00 0.00 179.01 178.74 2jmu h LEU 25 N 0.57 0.00 0.00 1.33 3.38 0.14 -3.47 115.31 117.26 2jmu h LEU 25 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jmu h LEU 25 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2jmu h LEU 25 CO 0.13 0.37 0.00 0.61 0.09 0.00 0.00 178.44 179.64 2jmu n GLY 26 N 0.17 1.42 3.74 0.83 0.00 0.76 -5.07 105.19 107.04 2jmu n GLY 26 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.35 4.61 0.00 0.10 -4.78 121.76 122.65 2jmu s ALA 27 Ca 0.00 0.63 -0.22 0.00 0.00 0.00 0.00 51.96 52.37 2jmu s ALA 27 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2jmu s ALA 27 CO 0.00 0.05 0.72 0.99 0.00 0.00 0.00 175.76 177.52 2jmu s THR 28 N -0.56 4.81 -0.34 0.00 2.01 0.29 -4.38 115.64 117.47 2jmu s THR 28 Ca 0.45 0.83 -0.29 0.00 0.31 0.00 0.00 61.69 62.99 2jmu s THR 28 Cb -0.25 -4.14 -0.00 0.00 0.01 0.00 0.00 72.50 68.12 2jmu s THR 28 CO 0.32 -0.34 1.46 -0.22 -0.69 0.00 0.00 174.62 175.15 2jmu s LEU 29 N 2.90 3.71 -0.15 4.42 2.96 -1.26 -0.43 118.68 130.83 2jmu s LEU 29 Ca 0.29 1.12 -0.05 0.00 -0.22 0.00 0.00 54.13 55.27 2jmu s LEU 29 Cb -0.14 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.78 2jmu s LEU 29 CO 0.15 -1.34 0.22 -1.84 -1.32 0.00 0.00 176.35 172.22 2jmu n GLU 30 N 7.84 0.73 -3.79 1.98 0.28 0.21 -4.98 120.64 122.91 2jmu n GLU 30 Ca 0.17 0.25 -0.13 0.00 -0.16 0.00 0.00 57.16 57.29 2jmu n GLU 30 Cb 0.47 -1.67 -0.10 0.00 1.43 0.00 0.00 31.44 31.57 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 -2.54 -0.19 -0.12 -1.84 3.76 -1.19 -5.03 115.29 108.13 2jmu s HIS 31 Ca -0.25 0.40 -0.05 0.00 -0.15 0.00 0.00 55.06 55.00 2jmu s HIS 31 Cb 0.07 0.07 0.06 0.00 1.11 0.00 0.00 32.58 33.89 2jmu s HIS 31 CO 0.73 -0.25 0.26 0.50 -0.85 0.00 0.00 174.74 175.12 2jmu s ARG 32 N -0.64 0.17 -0.03 1.40 3.52 -1.26 -0.54 118.95 121.57 2jmu s ARG 32 Ca -0.07 0.66 0.07 0.00 -0.13 0.00 0.00 55.73 56.26 2jmu s ARG 32 Cb -0.04 -0.07 -0.02 0.00 -1.56 0.00 0.00 34.95 33.26 2jmu s ARG 32 CO 0.02 -0.23 -0.25 0.14 -0.81 0.00 0.00 175.30 174.16 2jmu s VAL 33 N 1.93 2.10 -0.09 7.11 -7.23 0.10 -4.98 120.40 119.35 2jmu s VAL 33 Ca -0.03 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.06 2jmu s VAL 33 Cb -0.11 -1.74 0.02 0.00 0.56 0.00 0.00 36.38 35.11 2jmu s VAL 33 CO -0.09 0.58 -0.07 0.42 -0.31 0.00 0.00 175.10 175.63 2jmu s THR 34 N -0.46 0.89 0.22 5.32 -4.23 -1.25 -0.25 115.64 115.88 2jmu s THR 34 Ca 0.05 -0.24 -0.22 0.00 -1.18 0.00 0.00 61.69 60.11 2jmu s THR 34 Cb -0.11 -0.90 0.06 0.00 1.34 0.00 0.00 72.50 72.89 2jmu s THR 34 CO 0.01 0.33 0.95 0.72 -0.54 0.00 0.00 174.62 176.08 2jmu s PHE 35 N 1.44 0.01 -0.04 3.99 -0.71 -0.61 -4.99 117.98 117.07 2jmu s PHE 35 Ca -0.01 -0.44 -0.01 0.00 -1.04 0.00 0.00 56.93 55.43 2jmu s PHE 35 Cb -0.13 0.71 -0.04 0.00 -1.21 0.00 0.00 43.02 42.35 2jmu s PHE 35 CO -0.04 -1.05 0.05 1.03 -1.34 0.00 0.00 175.22 173.87 2jmu s ARG 36 N -2.63 3.04 -0.29 1.99 0.52 -1.26 0.57 118.95 120.89 2jmu s ARG 36 Ca 0.17 -0.44 -0.08 0.00 -0.52 0.00 0.00 55.73 54.86 2jmu s ARG 36 Cb -0.03 -2.85 -0.01 0.00 0.52 0.00 0.00 34.95 32.59 2jmu s ARG 36 CO 0.06 0.67 0.11 -0.51 0.02 0.00 0.00 175.30 175.65 2jmu s ASP 37 N -1.40 5.30 -0.32 0.23 1.11 -0.46 -1.76 116.67 119.38 2jmu s ASP 37 Ca 0.19 -0.49 -0.04 0.00 0.18 0.00 0.00 52.55 52.38 2jmu s ASP 37 Cb -0.12 -1.94 0.04 0.00 1.07 0.00 0.00 42.92 41.97 2jmu s ASP 37 CO 0.09 -0.15 0.05 -0.89 1.18 0.00 0.00 175.17 175.45 2jmu s THR 38 N 1.58 3.39 -0.02 -1.27 2.01 -0.27 -2.43 115.64 118.63 2jmu s THR 38 Ca 0.04 -1.23 -0.02 0.00 0.31 0.00 0.00 61.69 60.80 2jmu s THR 38 Cb -0.17 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 2jmu s THR 38 CO 0.04 -0.12 0.12 -0.31 -0.69 0.00 0.00 174.62 173.66 2jmu s TYR 39 N 1.33 3.39 0.08 4.92 1.51 0.84 0.03 117.35 129.46 2jmu s TYR 39 Ca -0.03 0.28 0.09 0.00 -1.01 0.00 0.00 57.07 56.40 2jmu s TYR 39 Cb -0.19 -1.79 -0.03 0.00 -0.11 0.00 0.00 41.96 39.84 2jmu s TYR 39 CO 0.01 0.60 -0.25 0.71 -1.11 0.00 0.00 175.55 175.51 2jmu s TYR 40 N -1.22 2.15 0.18 2.71 1.51 -0.98 -0.84 117.35 120.87 2jmu s TYR 40 Ca 0.23 -0.40 -0.24 0.00 -1.01 0.00 0.00 57.07 55.66 2jmu s TYR 40 Cb -0.12 -1.22 0.05 0.00 -0.11 0.00 0.00 41.96 40.56 2jmu s TYR 40 CO 0.14 0.21 0.78 0.34 -1.11 0.00 0.00 175.55 175.91 2jmu s ASP 41 N -1.62 -0.32 0.70 2.29 2.15 -0.52 -4.01 116.67 115.34 2jmu s ASP 41 Ca 0.11 -0.34 -0.14 0.00 0.43 0.00 0.00 52.55 52.60 2jmu s ASP 41 Cb -0.10 0.59 0.02 0.00 -0.30 0.00 0.00 42.92 43.13 2jmu s ASP 41 CO 0.04 -1.05 1.13 0.42 -0.17 0.00 0.00 175.17 175.54 2jmu s THR 42 N -3.60 3.00 -0.30 1.71 -4.23 -1.26 -1.04 115.64 109.91 2jmu s THR 42 Ca 0.08 0.45 0.25 0.00 -1.18 0.00 0.00 61.69 61.29 2jmu s THR 42 Cb -0.03 -2.95 0.26 0.00 1.34 0.00 0.00 72.50 71.12 2jmu s THR 42 CO -0.01 -0.30 1.75 0.77 -0.54 0.00 0.00 174.62 176.28 2jmu h SER 43 N -0.25 0.00 -0.06 3.99 4.64 -1.94 -1.59 113.55 118.34 2jmu h SER 43 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2jmu h SER 43 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2jmu h SER 43 CO 0.52 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.64 2jmu n GLU 44 N -2.35 1.85 -1.80 4.77 0.28 -1.26 -4.96 120.64 117.16 2jmu n GLU 44 Ca 0.01 -1.75 -0.18 0.00 -0.16 0.00 0.00 57.16 55.09 2jmu n GLU 44 Cb 0.17 -1.39 -0.05 0.00 1.43 0.00 0.00 31.44 31.60 2jmu n GLU 44 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2jmu n LEU 45 N 1.14 -1.47 -0.11 -1.84 4.32 -0.60 -4.90 117.00 113.55 2jmu n LEU 45 Ca 0.12 0.28 -0.11 0.00 -0.02 0.00 0.00 56.01 56.28 2jmu n LEU 45 Cb 0.51 -2.53 -0.03 0.00 -1.62 0.00 0.00 43.42 39.75 2jmu n LEU 45 CO 0.13 -0.67 0.77 -1.28 -1.22 0.00 0.00 177.39 175.12 2jmu h SER 46 N 0.00 0.55 -0.38 -1.43 0.87 -1.93 -1.84 113.55 109.38 2jmu h SER 46 Ca -0.38 -0.31 -0.03 0.00 -1.23 0.00 0.00 61.79 59.83 2jmu h SER 46 Cb 1.21 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 2jmu h SER 46 CO 0.52 0.73 0.10 0.25 -0.53 0.00 0.00 176.83 177.90 2jmu h LEU 47 N 0.36 0.57 0.03 2.23 6.46 -1.90 -1.52 115.31 121.54 2jmu h LEU 47 Ca 0.09 -0.22 0.02 0.00 -0.12 0.00 0.00 57.88 57.65 2jmu h LEU 47 Cb 0.44 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 2jmu h LEU 47 CO 0.02 0.64 -0.16 -0.03 -0.62 0.00 0.00 178.44 178.29 2jmu h MET 48 N 0.48 -0.27 0.00 1.25 4.05 -1.61 -1.88 114.93 116.94 2jmu h MET 48 Ca 0.12 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 2jmu h MET 48 Cb 0.29 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.15 2jmu h MET 48 CO -0.00 -0.18 0.00 1.28 0.23 0.00 0.00 176.91 178.24 2jmu n LEU 49 N -5.29 0.00 -1.34 3.39 4.32 -0.70 -2.27 117.00 115.11 2jmu n LEU 49 Ca -0.06 0.38 0.07 0.00 -0.02 0.00 0.00 56.01 56.39 2jmu n LEU 49 Cb 0.21 -0.38 0.28 0.00 -1.62 0.00 0.00 43.42 41.90 2jmu n LEU 49 CO 0.26 -0.15 0.71 -1.20 -1.22 0.00 0.00 177.39 175.80 2jmu n SER 50 N -1.38 3.92 -0.28 -1.43 7.64 -0.58 -4.89 113.62 116.61 2jmu n SER 50 Ca 0.07 -2.42 -0.04 0.00 1.01 0.00 0.00 58.87 57.49 2jmu n SER 50 Cb 0.18 -0.53 -0.02 0.00 -1.01 0.00 0.00 64.21 62.83 2jmu n SER 50 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jmu n ASP 51 N 0.73 -3.89 -4.56 6.43 9.92 -0.96 -4.94 116.55 119.28 2jmu n ASP 51 Ca 0.20 0.09 -0.36 0.00 -0.53 0.00 0.00 54.79 54.19 2jmu n ASP 51 Cb 0.76 -1.71 -0.11 0.00 -0.64 0.00 0.00 41.12 39.43 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 -1.99 3.18 -0.10 1.24 3.76 -1.00 -4.31 115.29 116.08 2jmu s HIS 52 Ca 0.00 -0.10 0.01 0.00 -0.15 0.00 0.00 55.06 54.83 2jmu s HIS 52 Cb 0.00 -2.16 0.02 0.00 1.11 0.00 0.00 32.58 31.55 2jmu s HIS 52 CO 0.00 -0.06 -0.12 -1.58 -0.85 0.00 0.00 174.74 172.14 2jmu s TRP 53 N 0.94 1.66 -0.15 1.40 0.52 -1.00 -3.68 118.94 118.63 2jmu s TRP 53 Ca 0.04 -0.76 -0.03 0.00 0.02 0.00 0.00 56.10 55.37 2jmu s TRP 53 Cb -0.14 -1.26 -0.02 0.00 -1.15 0.00 0.00 33.47 30.90 2jmu s TRP 53 CO 0.03 -0.44 -0.07 -1.17 0.02 0.00 0.00 176.95 175.32 2jmu s LEU 54 N 1.15 3.07 -0.05 2.99 0.20 -1.26 0.77 118.68 125.56 2jmu s LEU 54 Ca -0.05 -0.20 0.01 0.00 0.69 0.00 0.00 54.13 54.59 2jmu s LEU 54 Cb -0.14 -1.73 0.02 0.00 -0.43 0.00 0.00 46.19 43.91 2jmu s LEU 54 CO -0.03 0.16 -0.06 -0.60 -0.29 0.00 0.00 176.35 175.54 2jmu s ARG 55 N 0.40 0.97 -0.33 1.98 3.52 0.15 -2.32 118.95 123.32 2jmu s ARG 55 Ca -0.06 -0.16 -0.10 0.00 -0.13 0.00 0.00 55.73 55.28 2jmu s ARG 55 Cb -0.15 -0.93 0.00 0.00 -1.56 0.00 0.00 34.95 32.31 2jmu s ARG 55 CO 0.04 -0.06 0.18 -1.14 -0.81 0.00 0.00 175.30 173.50 2jmu s GLN 56 N 0.87 3.19 -0.23 5.12 2.00 0.10 0.27 119.66 130.98 2jmu s GLN 56 Ca -0.12 -0.83 -0.07 0.00 -2.00 0.00 0.00 55.36 52.34 2jmu s GLN 56 Cb -0.15 -3.64 -0.03 0.00 0.80 0.00 0.00 33.01 30.00 2jmu s GLN 56 CO 0.01 -0.51 0.06 -0.98 -0.50 0.00 0.00 175.29 173.37 2jmu s ARG 57 N 1.60 3.72 -1.33 1.67 1.70 -1.07 -1.11 118.95 124.13 2jmu s ARG 57 Ca 0.04 -0.46 0.00 0.00 -0.47 0.00 0.00 55.73 54.84 2jmu s ARG 57 Cb -0.18 -3.27 0.00 0.00 -0.57 0.00 0.00 34.95 30.93 2jmu s ARG 57 CO 0.07 -0.07 0.00 -0.85 -1.08 0.00 0.00 175.30 173.37 2jmu n GLU 58 N 4.56 -1.40 -1.95 3.89 0.28 -0.72 -0.13 120.64 125.17 2jmu n GLU 58 Ca -0.16 0.78 -0.20 0.00 -0.16 0.00 0.00 57.16 57.42 2jmu n GLU 58 Cb 0.52 -5.00 -0.05 0.00 1.43 0.00 0.00 31.44 28.34 2jmu n GLU 58 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jmu n GLY 59 N -0.14 0.85 0.08 -1.84 0.00 -1.26 -4.87 105.19 98.01 2jmu n GLY 59 Ca -0.13 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 2jmu n GLY 59 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2jmu h SER 60 N 0.00 0.07 -3.69 1.61 0.87 -0.90 -3.48 113.55 108.03 2jmu h SER 60 Ca -0.44 -0.10 0.31 0.00 -1.23 0.00 0.00 61.79 60.32 2jmu h SER 60 Cb 1.33 -0.02 -0.23 0.00 -0.44 0.00 0.00 62.40 63.04 2jmu h SER 60 CO 0.59 1.08 0.99 -0.83 -0.53 0.00 0.00 176.83 178.13 2jmu s GLY 61 N -4.95 -0.09 -0.14 5.77 0.00 -1.24 -5.04 107.32 101.63 2jmu s GLY 61 Ca -0.04 2.25 -0.14 0.00 0.00 0.00 0.00 44.72 46.79 2jmu s GLY 61 CO 0.83 0.80 0.33 -0.98 0.00 0.00 0.00 173.10 174.07 2jmu s TRP 62 N -1.68 3.49 -0.08 1.90 0.52 -1.26 -2.59 118.94 119.23 2jmu s TRP 62 Ca 0.11 0.67 0.04 0.00 0.02 0.00 0.00 56.10 56.94 2jmu s TRP 62 Cb -0.01 -2.36 0.00 0.00 -1.15 0.00 0.00 33.47 29.95 2jmu s TRP 62 CO -0.04 0.27 -0.20 -1.21 0.02 0.00 0.00 176.95 175.79 2jmu s GLU 63 N 0.33 2.53 -0.09 4.98 2.02 0.14 -4.34 118.70 124.27 2jmu s GLU 63 Ca 0.19 -0.73 0.04 0.00 0.02 0.00 0.00 54.97 54.48 2jmu s GLU 63 Cb -0.14 -1.98 0.00 0.00 0.10 0.00 0.00 34.13 32.12 2jmu s GLU 63 CO 0.06 0.16 -0.21 -1.17 0.02 0.00 0.00 175.26 174.12 2jmu s LEU 64 N 0.37 1.97 -0.13 1.80 2.96 -0.07 0.32 118.68 125.89 2jmu s LEU 64 Ca -0.15 -0.48 -0.10 0.00 -0.22 0.00 0.00 54.13 53.17 2jmu s LEU 64 Cb -0.17 -1.24 -0.05 0.00 0.50 0.00 0.00 46.19 45.24 2jmu s LEU 64 CO 0.07 0.13 0.20 -0.75 -1.32 0.00 0.00 176.35 174.68 2jmu s LYS 65 N 0.40 3.87 0.01 1.98 2.47 0.23 0.21 119.74 128.92 2jmu s LYS 65 Ca -0.17 -0.04 -0.02 0.00 -1.56 0.00 0.00 55.97 54.18 2jmu s LYS 65 Cb -0.17 -3.30 -0.01 0.00 -1.46 0.00 0.00 37.83 32.88 2jmu s LYS 65 CO 0.07 0.53 0.03 0.00 0.16 0.00 0.00 175.35 176.14 2jmu n PRO 67 N 1.67 0.65 0.00 0.00 -0.02 -1.26 0.12 135.00 136.15 2jmu n PRO 67 Ca -0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 2jmu n PRO 67 Cb 0.56 -1.18 0.00 0.00 -0.02 0.00 0.00 33.50 32.86 2jmu n PRO 67 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jmu n GLY 68 N 1.31 1.44 3.69 -1.23 0.00 -0.54 -3.31 105.19 106.55 2jmu n GLY 68 Ca 0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 3.86 -0.06 1.61 1.01 -1.22 -4.90 120.40 120.71 2jmu s VAL 69 Ca 0.00 1.25 -0.02 0.00 0.00 0.00 0.00 61.98 63.22 2jmu s VAL 69 Cb 0.00 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2jmu s VAL 69 CO 0.00 0.02 -0.03 0.71 0.00 0.00 0.00 175.10 175.79 2jmu h THR 70 N 4.85 0.00 -0.33 3.92 1.35 -1.94 -3.45 112.91 117.32 2jmu h THR 70 Ca -0.38 -0.52 -0.22 0.00 -0.55 0.00 0.00 66.41 64.74 2jmu h THR 70 Cb 1.18 0.00 -0.35 0.00 -1.73 0.00 0.00 68.15 67.25 2jmu h THR 70 CO 0.88 0.00 -0.95 0.61 -0.25 0.00 0.00 175.52 175.82 2jmu n GLY 71 N 1.81 1.78 0.00 5.82 0.00 -1.26 -4.96 105.19 108.38 2jmu n GLY 71 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.72 0.00 0.00 1.61 0.31 -1.26 -5.06 118.33 113.20 2jmu n VAL 72 Ca 0.02 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2jmu n VAL 72 Cb 0.83 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 33.66 2jmu n VAL 72 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2jmu n SER 73 N -0.60 0.00 0.00 4.52 2.88 -1.26 -5.17 113.62 114.00 2jmu n SER 73 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jmu n SER 73 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2jmu n SER 73 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jmu n GLY 74 N 0.00 -1.05 3.72 0.46 0.00 -1.26 -4.91 105.19 102.15 2jmu n GLY 74 Ca 0.00 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 2jmu n GLY 74 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jmu s PRO 75 N -4.18 4.50 0.02 1.61 0.04 -1.26 -4.77 135.00 130.97 2jmu s PRO 75 Ca 0.00 1.71 -0.28 0.00 0.04 0.00 0.00 61.00 62.47 2jmu s PRO 75 Cb 0.00 -3.34 0.08 0.00 0.04 0.00 0.00 34.50 31.28 2jmu s PRO 75 CO 0.00 -0.13 0.71 -1.58 0.04 0.00 0.00 177.00 176.04 2jmu s HIS 76 N 0.65 -0.54 0.00 0.56 2.46 -1.21 -4.95 115.29 112.26 2jmu s HIS 76 Ca 0.55 0.65 0.00 0.00 0.47 0.00 0.00 55.06 56.73 2jmu s HIS 76 Cb -0.28 0.49 0.00 0.00 -0.13 0.00 0.00 32.58 32.65 2jmu s HIS 76 CO 0.31 -0.66 0.00 -1.71 -2.47 0.00 0.00 174.74 170.21 2jmu n ASN 77 N 0.25 -1.92 -0.83 9.88 5.15 -1.26 -3.37 115.26 123.16 2jmu n ASN 77 Ca -0.16 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 53.93 2jmu n ASN 77 Cb 0.61 -0.34 -0.03 0.00 -0.53 0.00 0.00 39.78 39.49 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 -2.61 -1.67 -2.50 1.20 1.02 -1.26 -4.72 120.64 110.09 2jmu n GLU 78 Ca 0.00 1.11 -0.43 0.00 -0.02 0.00 0.00 57.16 57.83 2jmu n GLU 78 Cb 0.00 -2.04 -0.02 0.00 -0.02 0.00 0.00 31.44 29.36 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 -1.75 3.16 -0.20 -0.32 2.02 -1.26 -1.47 117.35 117.52 2jmu s TYR 79 Ca 0.00 1.23 -0.12 0.00 -0.37 0.00 0.00 57.07 57.81 2jmu s TYR 79 Cb 0.00 -3.40 -0.05 0.00 -0.40 0.00 0.00 41.96 38.11 2jmu s TYR 79 CO 0.00 -1.19 0.22 0.08 -1.57 0.00 0.00 175.55 173.09 2jmu s VAL 80 N 2.62 5.34 -0.50 0.71 1.01 0.12 -4.83 120.40 124.87 2jmu s VAL 80 Ca 0.53 0.35 -0.20 0.00 0.00 0.00 0.00 61.98 62.66 2jmu s VAL 80 Cb -0.22 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.65 2jmu s VAL 80 CO 0.18 0.37 0.69 -1.61 0.00 0.00 0.00 175.10 174.72 2jmu s GLU 81 N 0.76 3.19 -0.33 2.72 0.41 -1.26 -1.57 118.70 122.63 2jmu s GLU 81 Ca 0.12 -0.66 -0.26 0.00 -0.41 0.00 0.00 54.97 53.75 2jmu s GLU 81 Cb -0.13 -4.06 0.01 0.00 -1.78 0.00 0.00 34.13 28.18 2jmu s GLU 81 CO 0.03 -1.22 0.94 0.08 -0.49 0.00 0.00 175.26 174.60 2jmu s VAL 82 N 2.92 4.62 -0.54 2.63 1.01 0.13 -4.83 120.40 126.34 2jmu s VAL 82 Ca 0.20 1.41 0.13 0.00 0.00 0.00 0.00 61.98 63.72 2jmu s VAL 82 Cb -0.17 -4.31 -0.15 0.00 0.00 0.00 0.00 36.38 31.75 2jmu s VAL 82 CO 0.15 -0.42 0.53 0.35 0.00 0.00 0.00 175.10 175.71 2jmu n THR 83 N 5.79 0.00 -2.93 3.92 -2.24 -1.26 -0.89 114.28 116.67 2jmu n THR 83 Ca 0.08 -0.20 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 2jmu n THR 83 Cb 0.48 0.89 -0.04 0.00 -2.10 0.00 0.00 70.33 69.55 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 -2.45 6.92 0.19 3.42 0.01 -1.26 -4.68 113.70 115.84 2jmu s SER 84 Ca 0.04 1.13 -0.13 0.00 1.31 0.00 0.00 55.95 58.30 2jmu s SER 84 Cb 0.10 -2.44 0.19 0.00 0.21 0.00 0.00 66.02 64.08 2jmu s SER 84 CO 0.55 -0.36 1.73 -0.33 0.41 0.00 0.00 173.24 175.24 2jmu h GLU 85 N 7.32 0.27 -0.19 12.44 5.08 -1.92 -2.42 114.58 135.15 2jmu h GLU 85 Ca -0.30 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.01 2jmu h GLU 85 Cb 1.14 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2jmu h GLU 85 CO 0.82 0.18 -0.01 0.00 -1.00 0.00 0.00 179.01 179.00 2jmu h ALA 86 N 1.37 1.63 0.00 3.43 0.00 -1.93 0.26 119.26 124.02 2jmu h ALA 86 Ca 0.25 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 2jmu h ALA 86 Cb 0.31 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2jmu h ALA 86 CO -0.29 0.28 -0.86 0.00 0.00 0.00 0.00 179.25 178.38 2jmu h ALA 87 N 1.72 0.59 -0.13 0.00 0.00 -1.87 -2.71 119.26 116.86 2jmu h ALA 87 Ca 0.06 -0.77 -0.05 0.00 0.00 0.00 0.00 54.91 54.15 2jmu h ALA 87 Cb 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2jmu h ALA 87 CO 0.01 1.05 -0.13 0.82 0.00 0.00 0.00 179.25 181.00 2jmu h ILE 88 N 0.01 1.35 -0.39 0.00 2.04 -0.74 -1.03 117.51 118.75 2jmu h ILE 88 Ca -0.01 -1.29 0.08 0.00 1.00 0.00 0.00 64.86 64.63 2jmu h ILE 88 Cb 1.51 1.91 -0.07 0.00 -0.74 0.00 0.00 36.82 39.43 2jmu h ILE 88 CO 0.11 0.38 -0.10 0.58 0.00 0.00 0.00 178.15 179.12 2jmu h VAL 89 N -0.07 0.60 -0.58 1.67 2.07 -0.55 0.24 116.25 119.63 2jmu h VAL 89 Ca 0.02 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.44 2jmu h VAL 89 Cb 0.66 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2jmu h VAL 89 CO 0.03 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.60 2jmu h ALA 90 N 1.39 0.85 -0.27 1.67 0.00 -1.49 -2.63 119.26 118.78 2jmu h ALA 90 Ca 0.19 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2jmu h ALA 90 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2jmu h ALA 90 CO -0.41 0.66 -0.03 0.37 0.00 0.00 0.00 179.25 179.84 2jmu h GLN 91 N 0.94 0.50 -0.48 0.00 5.75 -0.10 -2.71 115.11 119.01 2jmu h GLN 91 Ca 0.16 -0.18 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2jmu h GLN 91 Cb 0.57 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 2jmu h GLN 91 CO 0.03 0.69 0.28 -0.07 -2.65 0.00 0.00 178.83 177.12 2jmu h LEU 92 N 0.27 0.58 -0.51 -2.39 -0.00 -0.53 -0.95 115.31 111.77 2jmu h LEU 92 Ca 0.07 -0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 57.90 2jmu h LEU 92 Cb 0.48 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.98 2jmu h LEU 92 CO 0.02 0.45 0.22 -0.26 -0.00 0.00 0.00 178.44 178.87 2jmu h PHE 93 N 0.67 0.77 -0.38 1.13 -1.00 -1.21 0.29 116.94 117.21 2jmu h PHE 93 Ca 0.17 -0.05 -0.15 0.00 2.81 0.00 0.00 57.97 60.75 2jmu h PHE 93 Cb -0.01 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.31 2jmu h PHE 93 CO 0.00 0.63 -0.36 1.05 -1.61 0.00 0.00 178.31 178.03 2jmu h GLU 94 N 0.69 0.91 -0.55 1.51 4.11 -1.16 -0.39 114.58 119.69 2jmu h GLU 94 Ca 0.17 -0.47 -0.11 0.00 0.07 0.00 0.00 59.36 59.02 2jmu h GLU 94 Cb 0.18 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2jmu h GLU 94 CO -0.02 1.12 -0.09 -0.07 0.07 0.00 0.00 179.01 180.03 2jmu h LEU 95 N 0.72 1.03 -0.47 3.06 3.38 -0.93 -2.53 115.31 119.57 2jmu h LEU 95 Ca 0.06 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2jmu h LEU 95 Cb 0.95 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2jmu h LEU 95 CO 0.09 1.13 -0.10 0.18 0.09 0.00 0.00 178.44 179.84 2jmu n LEU 96 N -4.15 0.83 -2.34 1.67 7.99 1.00 -4.95 117.00 117.04 2jmu n LEU 96 Ca 0.02 -0.20 -0.01 0.00 -0.01 0.00 0.00 56.01 55.81 2jmu n LEU 96 Cb 0.40 -0.09 0.00 0.00 -0.11 0.00 0.00 43.42 43.61 2jmu n LEU 96 CO 0.45 0.15 0.16 0.61 -1.51 0.00 0.00 177.39 177.25 2jmu n GLY 97 N 1.23 -0.86 2.76 -0.72 0.00 -0.88 -5.05 105.19 101.67 2jmu n GLY 97 Ca 0.16 0.26 -0.17 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.43 0.48 -0.04 1.61 0.01 -0.21 -4.96 113.70 108.15 2jmu s SER 98 Ca 0.03 0.03 0.14 0.00 1.31 0.00 0.00 55.95 57.45 2jmu s SER 98 Cb -0.01 -0.14 0.47 0.00 0.21 0.00 0.00 66.02 66.55 2jmu s SER 98 CO 0.42 -0.15 1.36 0.61 0.41 0.00 0.00 173.24 175.88 2jmu n GLY 99 N 4.47 1.65 3.73 3.44 0.00 -1.26 -4.67 105.19 112.55 2jmu n GLY 99 Ca -0.21 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.57 1.69 0.52 1.61 8.01 -1.26 -5.02 118.70 122.68 2jmu s GLU 100 Ca 0.34 1.19 -0.20 0.00 0.01 0.00 0.00 54.97 56.31 2jmu s GLU 100 Cb 0.20 -1.83 -0.06 0.00 -4.31 0.00 0.00 34.13 28.13 2jmu s GLU 100 CO 0.19 -2.05 1.12 1.14 0.01 0.00 0.00 175.26 175.67 2jmu s GLN 101 N -4.84 3.48 0.06 1.61 0.00 -1.26 -4.97 119.66 113.74 2jmu s GLN 101 Ca 0.63 1.59 -0.31 0.00 -0.00 0.00 0.00 55.36 57.27 2jmu s GLN 101 Cb -0.19 -2.07 -0.07 0.00 0.00 0.00 0.00 33.01 30.68 2jmu s GLN 101 CO 0.57 -0.74 1.52 0.15 0.00 0.00 0.00 175.29 176.79 2jmu s LYS 102 N -3.20 4.25 0.00 9.60 3.01 -1.26 -4.96 119.74 127.18 2jmu s LYS 102 Ca 0.71 2.17 0.00 0.00 -1.01 0.00 0.00 55.97 57.84 2jmu s LYS 102 Cb -0.23 -3.51 0.00 0.00 -1.01 0.00 0.00 37.83 33.08 2jmu s LYS 102 CO 0.26 -0.63 0.40 -0.35 0.51 0.00 0.00 175.35 175.54 2jmu n PRO 103 N 5.16 0.00 0.02 -1.68 -0.04 -1.26 -5.03 135.00 132.17 2jmu n PRO 103 Ca 0.14 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 2jmu n PRO 103 Cb 0.42 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 2jmu n PRO 103 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jmu n ALA 104 N -1.32 0.00 -2.64 0.55 0.00 -1.26 -5.13 120.51 110.72 2jmu n ALA 104 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2jmu n ALA 104 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2jmu n ALA 104 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jmu s GLY 105 N -1.67 2.68 0.24 0.00 0.00 -1.26 -4.78 107.32 102.52 2jmu s GLY 105 Ca 0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 44.72 43.39 2jmu s GLY 105 CO 0.00 -2.06 1.65 -2.08 0.00 0.00 0.00 173.10 170.61 2jmu h VAL 106 N 1.65 1.28 -0.09 1.40 2.07 -1.97 -2.46 116.25 118.13 2jmu h VAL 106 Ca -0.42 -1.39 -0.04 0.00 0.82 0.00 0.00 66.70 65.66 2jmu h VAL 106 Cb 1.28 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 2jmu h VAL 106 CO 0.73 0.45 -0.15 0.00 0.02 0.00 0.00 177.57 178.62 2jmu h ALA 107 N 1.17 1.59 -0.17 1.67 0.00 -1.99 0.51 119.26 122.04 2jmu h ALA 107 Ca 0.06 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 2jmu h ALA 107 Cb 0.77 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2jmu h ALA 107 CO 0.06 0.30 -0.53 0.00 0.00 0.00 0.00 179.25 179.08 2jmu h ALA 108 N 1.72 0.29 0.00 0.00 0.00 -1.89 -3.07 119.26 116.32 2jmu h ALA 108 Ca 0.03 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 2jmu h ALA 108 Cb 0.35 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2jmu h ALA 108 CO 0.02 0.49 -0.39 -0.39 0.00 0.00 0.00 179.25 178.98 2jmu h VAL 109 N 0.34 1.15 0.16 0.00 -1.51 -0.93 -1.75 116.25 113.72 2jmu h VAL 109 Ca -0.02 -1.41 -0.01 0.00 -1.23 0.00 0.00 66.70 64.03 2jmu h VAL 109 Cb 1.15 1.79 0.00 0.00 -2.13 0.00 0.00 31.29 32.10 2jmu h VAL 109 CO 0.11 0.39 -0.08 0.25 -1.23 0.00 0.00 177.57 177.01 2jmu h LEU 110 N 0.00 -0.19 -0.12 4.19 5.85 -0.87 0.23 115.31 124.41 2jmu h LEU 110 Ca -0.00 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 2jmu h LEU 110 Cb 0.76 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.84 2jmu h LEU 110 CO 0.05 -0.12 -0.29 1.23 -0.34 0.00 0.00 178.44 178.97 2jmu h GLY 111 N -0.23 0.44 1.07 3.75 0.00 -1.45 -2.10 103.07 104.56 2jmu h GLY 111 Ca -0.02 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 2jmu h GLY 111 CO 0.04 0.49 0.45 1.76 0.00 0.00 0.00 176.54 179.28 2jmu h SER 112 N -0.02 1.08 0.09 0.19 0.02 -1.20 -2.47 113.55 111.24 2jmu h SER 112 Ca -0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2jmu h SER 112 Cb 0.90 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2jmu h SER 112 CO 0.06 0.88 -0.27 0.18 -1.14 0.00 0.00 176.83 176.55 2jmu n LEU 113 N -4.33 1.65 -2.95 5.07 4.77 0.81 -4.98 117.00 117.05 2jmu n LEU 113 Ca 0.09 -0.55 -0.14 0.00 -0.03 0.00 0.00 56.01 55.38 2jmu n LEU 113 Cb 0.11 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.22 2jmu n LEU 113 CO 0.39 0.30 0.09 0.29 -1.33 0.00 0.00 177.39 177.13 2jmu n LYS 114 N -0.10 -5.34 -2.78 3.23 5.02 -0.84 -5.01 118.16 112.35 2jmu n LYS 114 Ca 0.12 0.68 -0.31 0.00 -2.02 0.00 0.00 58.31 56.79 2jmu n LYS 114 Cb 0.42 -5.20 -0.03 0.00 -0.02 0.00 0.00 35.03 30.20 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 -5.51 3.80 -0.00 -0.35 1.02 -0.94 -4.73 118.68 111.98 2jmu s LEU 115 Ca 0.01 1.20 -0.01 0.00 0.02 0.00 0.00 54.13 55.35 2jmu s LEU 115 Cb -0.01 -4.09 -0.04 0.00 0.02 0.00 0.00 46.19 42.08 2jmu s LEU 115 CO 0.58 -0.43 0.10 0.00 0.02 0.00 0.00 176.35 176.63 2jmu s GLN 116 N -3.89 3.14 -0.91 1.70 -2.07 -0.21 -4.90 119.66 112.52 2jmu s GLN 116 Ca 0.52 -0.46 -0.24 0.00 -1.82 0.00 0.00 55.36 53.36 2jmu s GLN 116 Cb -0.10 -2.91 -0.00 0.00 -1.09 0.00 0.00 33.01 28.91 2jmu s GLN 116 CO 0.31 0.65 1.71 -2.00 -1.32 0.00 0.00 175.29 174.65 2jmu s GLU 117 N -1.81 2.98 0.29 9.60 2.12 -1.26 -1.44 118.70 129.18 2jmu s GLU 117 Ca 0.24 -0.51 0.01 0.00 0.36 0.00 0.00 54.97 55.07 2jmu s GLU 117 Cb -0.12 -5.05 0.44 0.00 0.26 0.00 0.00 34.13 29.66 2jmu s GLU 117 CO 0.15 -2.81 1.78 -0.24 -0.54 0.00 0.00 175.26 173.60 2jmu h VAL 118 N 6.98 1.24 -2.08 3.70 3.04 -1.28 -3.43 116.25 124.41 2jmu h VAL 118 Ca 0.08 -1.04 0.01 0.00 -1.01 0.00 0.00 66.70 64.74 2jmu h VAL 118 Cb 1.02 1.07 -0.22 0.00 -2.01 0.00 0.00 31.29 31.16 2jmu h VAL 118 CO 1.30 0.35 -0.04 0.00 -1.01 0.00 0.00 177.57 178.16 2jmu s ALA 119 N -4.80 -1.79 -0.14 3.17 0.00 -1.11 -5.02 121.76 112.08 2jmu s ALA 119 Ca -0.08 2.30 -0.02 0.00 0.00 0.00 0.00 51.96 54.16 2jmu s ALA 119 Cb 0.15 -1.41 0.04 0.00 0.00 0.00 0.00 23.12 21.90 2jmu s ALA 119 CO 0.79 -0.43 -0.00 0.45 0.00 0.00 0.00 175.76 176.56 2jmu s SER 120 N 1.76 2.38 0.01 0.00 0.15 -1.26 -0.12 113.70 116.63 2jmu s SER 120 Ca -0.09 -0.49 -0.03 0.00 0.70 0.00 0.00 55.95 56.03 2jmu s SER 120 Cb -0.06 -0.63 -0.01 0.00 -1.71 0.00 0.00 66.02 63.61 2jmu s SER 120 CO -0.19 -0.23 0.05 0.72 1.20 0.00 0.00 173.24 174.80 2jmu s PHE 121 N 1.84 0.14 0.01 3.44 -0.71 -1.02 -4.97 117.98 116.71 2jmu s PHE 121 Ca 0.02 -0.30 -0.28 0.00 -1.04 0.00 0.00 56.93 55.33 2jmu s PHE 121 Cb -0.15 -0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.51 2jmu s PHE 121 CO -0.07 -0.22 0.90 0.42 -1.34 0.00 0.00 175.22 174.90 2jmu s ILE 122 N -1.33 4.83 -0.21 -4.49 1.09 -1.26 -1.35 121.20 118.48 2jmu s ILE 122 Ca -0.14 1.89 -0.03 0.00 -1.10 0.00 0.00 60.65 61.27 2jmu s ILE 122 Cb -0.08 -4.24 -0.00 0.00 -1.06 0.00 0.00 42.46 37.07 2jmu s ILE 122 CO 0.00 0.23 -0.07 -0.89 -0.10 0.00 0.00 174.94 174.10 2jmu s THR 123 N 0.69 3.12 -0.37 2.92 2.01 0.19 -0.60 115.64 123.60 2jmu s THR 123 Ca 0.47 -0.58 -0.08 0.00 0.31 0.00 0.00 61.69 61.81 2jmu s THR 123 Cb -0.21 -2.40 0.04 0.00 0.01 0.00 0.00 72.50 69.95 2jmu s THR 123 CO 0.26 0.45 0.17 -0.89 -0.69 0.00 0.00 174.62 173.91 2jmu s THR 124 N 1.39 4.10 -0.21 -0.82 2.01 -0.22 -1.57 115.64 120.33 2jmu s THR 124 Ca 0.05 -1.12 -0.01 0.00 0.31 0.00 0.00 61.69 60.93 2jmu s THR 124 Cb -0.14 -3.36 0.01 0.00 0.01 0.00 0.00 72.50 69.03 2jmu s THR 124 CO -0.05 -0.27 -0.13 -0.60 -0.69 0.00 0.00 174.62 172.89 2jmu s ARG 125 N 1.45 3.05 -0.10 4.92 3.00 0.66 -0.57 118.95 131.37 2jmu s ARG 125 Ca 0.00 -0.81 0.02 0.00 -1.00 0.00 0.00 55.73 53.94 2jmu s ARG 125 Cb -0.20 -2.78 0.01 0.00 0.00 0.00 0.00 34.95 31.98 2jmu s ARG 125 CO 0.04 -0.25 -0.15 -1.54 0.00 0.00 0.00 175.30 173.40 2jmu s SER 126 N 1.35 2.31 -0.20 -2.12 1.04 0.14 0.01 113.70 116.21 2jmu s SER 126 Ca 0.04 -0.40 -0.05 0.00 0.48 0.00 0.00 55.95 56.02 2jmu s SER 126 Cb -0.14 -1.04 -0.03 0.00 0.10 0.00 0.00 66.02 64.92 2jmu s SER 126 CO -0.08 0.03 0.01 -0.44 0.98 0.00 0.00 173.24 173.74 2jmu s SER 127 N 0.88 4.95 0.15 7.02 0.01 0.30 -0.07 113.70 126.94 2jmu s SER 127 Ca -0.09 -0.17 0.10 0.00 1.31 0.00 0.00 55.95 57.10 2jmu s SER 127 Cb -0.15 -1.85 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 2jmu s SER 127 CO 0.00 0.07 -0.24 0.26 0.41 0.00 0.00 173.24 173.74 2jmu s TRP 128 N 0.98 2.15 0.05 2.43 0.52 0.78 -0.62 118.94 125.22 2jmu s TRP 128 Ca 0.02 -0.39 -0.04 0.00 0.02 0.00 0.00 56.10 55.71 2jmu s TRP 128 Cb -0.14 -1.12 -0.02 0.00 -1.15 0.00 0.00 33.47 31.03 2jmu s TRP 128 CO 0.02 0.36 0.05 -1.59 0.02 0.00 0.00 176.95 175.81 2jmu s LYS 129 N -2.29 0.62 -0.07 4.98 -2.85 0.43 0.13 119.74 120.69 2jmu s LYS 129 Ca 0.15 -0.95 -0.04 0.00 -1.00 0.00 0.00 55.97 54.13 2jmu s LYS 129 Cb -0.09 0.23 0.03 0.00 -2.06 0.00 0.00 37.83 35.94 2jmu s LYS 129 CO 0.07 -0.15 0.16 -1.17 0.10 0.00 0.00 175.35 174.36 2jmu s LEU 130 N -2.49 0.97 -0.38 2.77 0.20 0.35 0.10 118.68 120.20 2jmu s LEU 130 Ca 0.00 0.33 -0.13 0.00 0.69 0.00 0.00 54.13 55.02 2jmu s LEU 130 Cb 0.03 0.47 0.02 0.00 -0.43 0.00 0.00 46.19 46.27 2jmu s LEU 130 CO -0.07 -0.11 0.24 0.00 -0.29 0.00 0.00 176.35 176.12 2jmu s ALA 131 N 0.74 3.37 -0.18 5.97 0.00 -1.26 -1.29 121.76 129.12 2jmu s ALA 131 Ca -0.05 -1.69 -0.29 0.00 0.00 0.00 0.00 51.96 49.93 2jmu s ALA 131 Cb -0.07 -2.71 -0.00 0.00 0.00 0.00 0.00 23.12 20.34 2jmu s ALA 131 CO -0.04 -1.37 1.09 -0.51 0.00 0.00 0.00 175.76 174.94 2jmu s LEU 132 N 1.62 4.16 0.00 0.00 1.02 0.12 -4.88 118.68 120.72 2jmu s LEU 132 Ca 0.04 1.51 0.20 0.00 0.02 0.00 0.00 54.13 55.89 2jmu s LEU 132 Cb -0.19 -3.54 -0.13 0.00 0.02 0.00 0.00 46.19 42.35 2jmu s LEU 132 CO 0.08 -0.64 0.89 -1.54 0.02 0.00 0.00 176.35 175.16 2jmu n SER 133 N 6.05 1.31 -1.34 2.29 3.41 -1.26 -4.04 113.62 120.04 2jmu n SER 133 Ca 0.12 -1.15 -0.05 0.00 -0.26 0.00 0.00 58.87 57.52 2jmu n SER 133 Cb 0.46 0.79 0.03 0.00 -0.26 0.00 0.00 64.21 65.23 2jmu n SER 133 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jmu n GLY 134 N 1.40 2.64 3.41 5.00 0.00 -1.26 -4.70 105.19 111.69 2jmu n GLY 134 Ca 0.06 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 2jmu n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmu s ALA 135 N -0.66 -1.28 0.11 4.61 0.00 -1.26 -5.16 121.76 118.12 2jmu s ALA 135 Ca 0.11 1.45 0.10 0.00 0.00 0.00 0.00 51.96 53.63 2jmu s ALA 135 Cb 0.09 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 2jmu s ALA 135 CO 0.02 -0.24 -0.26 -1.58 0.00 0.00 0.00 175.76 173.69 2jmu s HIS 136 N 0.27 2.26 0.00 0.00 2.46 -1.26 -4.60 115.29 114.42 2jmu s HIS 136 Ca -0.00 -0.39 0.00 0.00 0.47 0.00 0.00 55.06 55.14 2jmu s HIS 136 Cb -0.04 -1.25 0.00 0.00 -0.13 0.00 0.00 32.58 31.17 2jmu s HIS 136 CO 0.01 0.29 0.00 0.41 -2.47 0.00 0.00 174.74 172.98 2jmu n GLY 137 N 1.09 2.05 3.55 1.59 0.00 -1.26 -4.79 105.19 107.42 2jmu n GLY 137 Ca -0.18 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 2jmu n GLY 137 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jmu s GLN 138 N 0.00 3.60 -0.36 1.61 1.11 -1.26 -5.01 119.66 119.34 2jmu s GLN 138 Ca 0.00 -0.22 0.04 0.00 0.01 0.00 0.00 55.36 55.19 2jmu s GLN 138 Cb 0.00 -3.81 0.10 0.00 -1.01 0.00 0.00 33.01 28.29 2jmu s GLN 138 CO 0.00 -0.63 0.08 -1.21 0.01 0.00 0.00 175.29 173.54 2jmu s GLU 139 N 2.32 1.56 -0.66 2.91 2.02 -1.26 -4.63 118.70 120.96 2jmu s GLU 139 Ca 0.17 -1.95 -0.25 0.00 0.02 0.00 0.00 54.97 52.96 2jmu s GLU 139 Cb -0.16 -3.24 0.05 0.00 0.10 0.00 0.00 34.13 30.88 2jmu s GLU 139 CO 0.13 -0.96 1.09 -1.25 0.02 0.00 0.00 175.26 174.29 2jmu s PRO 140 N 0.79 3.21 -0.66 0.39 0.05 -1.26 -4.94 135.00 132.58 2jmu s PRO 140 Ca 0.11 -0.43 -0.18 0.00 0.05 0.00 0.00 61.00 60.55 2jmu s PRO 140 Cb -0.20 -4.16 0.12 0.00 0.05 0.00 0.00 34.50 30.31 2jmu s PRO 140 CO -0.07 -1.87 0.77 -0.65 0.05 0.00 0.00 177.00 175.23 2jmu s GLN 141 N 4.72 3.18 0.15 4.56 1.11 -1.26 -0.70 119.66 131.43 2jmu s GLN 141 Ca 0.30 -1.50 0.09 0.00 0.01 0.00 0.00 55.36 54.26 2jmu s GLN 141 Cb -0.12 -4.37 -0.04 0.00 -1.01 0.00 0.00 33.01 27.47 2jmu s GLN 141 CO 0.15 -1.55 -0.11 -0.48 0.01 0.00 0.00 175.29 173.31 2jmu s LEU 142 N 2.43 2.94 -0.11 2.90 0.05 -0.41 -4.86 118.68 121.62 2jmu s LEU 142 Ca 0.15 -0.54 -0.01 0.00 0.05 0.00 0.00 54.13 53.79 2jmu s LEU 142 Cb -0.20 -1.67 -0.03 0.00 -2.05 0.00 0.00 46.19 42.24 2jmu s LEU 142 CO 0.03 0.13 -0.07 -0.89 -0.55 0.00 0.00 176.35 175.00 2jmu s THR 143 N -1.51 3.65 -0.25 5.48 2.01 -0.24 -0.50 115.64 124.27 2jmu s THR 143 Ca 0.23 -0.47 -0.04 0.00 0.31 0.00 0.00 61.69 61.71 2jmu s THR 143 Cb -0.10 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 69.89 2jmu s THR 143 CO 0.14 0.55 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.98 2jmu s ILE 144 N -0.24 3.44 -0.22 1.82 1.01 0.34 0.42 121.20 127.76 2jmu s ILE 144 Ca 0.03 -0.68 -0.08 0.00 0.00 0.00 0.00 60.65 59.92 2jmu s ILE 144 Cb -0.13 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 2jmu s ILE 144 CO 0.03 0.26 0.10 -0.62 0.00 0.00 0.00 174.94 174.70 2jmu s ASP 145 N 1.45 5.62 -0.23 3.58 2.15 0.12 -0.16 116.67 129.21 2jmu s ASP 145 Ca 0.03 -0.01 -0.05 0.00 0.43 0.00 0.00 52.55 52.96 2jmu s ASP 145 Cb -0.16 -2.00 -0.01 0.00 -0.30 0.00 0.00 42.92 40.45 2jmu s ASP 145 CO -0.02 0.07 -0.01 -0.76 -0.17 0.00 0.00 175.17 174.28 2jmu s LEU 146 N 1.01 3.06 -0.22 -1.34 1.02 0.90 -0.83 118.68 122.29 2jmu s LEU 146 Ca 0.05 -0.34 0.02 0.00 0.02 0.00 0.00 54.13 53.88 2jmu s LEU 146 Cb -0.14 -1.79 0.04 0.00 0.02 0.00 0.00 46.19 44.32 2jmu s LEU 146 CO 0.03 -0.03 -0.14 -0.62 0.02 0.00 0.00 176.35 175.62 2jmu s ASP 147 N 1.52 3.77 0.18 2.29 2.15 -0.32 0.23 116.67 126.50 2jmu s ASP 147 Ca 0.06 -1.04 0.08 0.00 0.43 0.00 0.00 52.55 52.08 2jmu s ASP 147 Cb -0.15 -1.44 -0.04 0.00 -0.30 0.00 0.00 42.92 40.99 2jmu s ASP 147 CO -0.01 -0.12 -0.17 -0.94 -0.17 0.00 0.00 175.17 173.76 2jmu s SER 148 N 1.24 2.66 0.08 -0.34 1.04 0.27 -0.11 113.70 118.54 2jmu s SER 148 Ca -0.03 -0.91 -0.05 0.00 0.48 0.00 0.00 55.95 55.44 2jmu s SER 148 Cb -0.17 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.77 2jmu s SER 148 CO -0.08 -0.08 0.09 0.00 0.98 0.00 0.00 173.24 174.15 2jmu s ALA 149 N -2.35 0.23 0.23 5.32 0.00 0.10 -1.05 121.76 124.24 2jmu s ALA 149 Ca 0.18 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 51.08 2jmu s ALA 149 Cb -0.04 0.47 0.38 0.00 0.00 0.00 0.00 23.12 23.93 2jmu s ALA 149 CO 0.07 -0.46 1.71 0.22 0.00 0.00 0.00 175.76 177.30 2jmu h ASP 150 N 2.92 0.10 -0.31 0.00 3.58 -1.14 -2.60 116.42 118.96 2jmu h ASP 150 Ca -0.34 0.12 -0.71 0.00 0.42 0.00 0.00 57.03 56.52 2jmu h ASP 150 Cb 1.18 0.14 -0.05 0.00 1.72 0.00 0.00 39.33 42.31 2jmu h ASP 150 CO 0.60 0.03 3.06 0.49 -2.88 0.00 0.00 179.24 180.55 2jmu n PHE 151 N -5.09 3.12 -4.02 0.28 3.72 -1.26 -4.61 117.46 109.60 2jmu n PHE 151 Ca 0.12 -2.96 -0.31 0.00 -0.05 0.00 0.00 57.45 54.25 2jmu n PHE 151 Cb 0.38 -2.39 -0.00 0.00 -0.94 0.00 0.00 39.48 36.52 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 3.60 -0.41 3.22 1.37 0.00 -1.23 -4.95 105.19 106.80 2jmu n GLY 152 Ca 0.56 0.16 -0.31 0.00 0.00 0.00 0.00 46.02 46.43 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 -3.46 2.46 -0.23 1.61 5.04 -0.98 -5.00 117.35 116.79 2jmu s TYR 153 Ca 0.50 -0.94 -0.04 0.00 -2.44 0.00 0.00 57.07 54.16 2jmu s TYR 153 Cb -0.26 -1.64 0.12 0.00 0.35 0.00 0.00 41.96 40.53 2jmu s TYR 153 CO 0.88 -0.36 0.41 0.00 -1.34 0.00 0.00 175.55 175.13 2jmu s ALA 154 N 0.23 -1.21 0.16 3.97 0.00 -1.26 0.00 121.76 123.65 2jmu s ALA 154 Ca -0.15 1.18 0.09 0.00 0.00 0.00 0.00 51.96 53.08 2jmu s ALA 154 Cb -0.17 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 2jmu s ALA 154 CO 0.07 -1.10 -0.12 0.54 0.00 0.00 0.00 175.76 175.15 2jmu s VAL 155 N 2.59 3.11 0.01 0.00 0.11 0.85 -4.06 120.40 123.01 2jmu s VAL 155 Ca 0.09 -1.58 0.03 0.00 -2.93 0.00 0.00 61.98 57.58 2jmu s VAL 155 Cb -0.14 -2.50 -0.01 0.00 -1.53 0.00 0.00 36.38 32.19 2jmu s VAL 155 CO -0.15 -0.03 -0.09 -0.83 -3.33 0.00 0.00 175.10 170.67 2jmu s GLY 156 N -2.59 0.46 -0.04 6.54 0.00 0.01 -1.17 107.32 110.53 2jmu s GLY 156 Ca 0.23 -0.47 -0.02 0.00 0.00 0.00 0.00 44.72 44.47 2jmu s GLY 156 CO 0.14 -0.43 0.08 -0.54 0.00 0.00 0.00 173.10 172.35 2jmu s GLU 157 N -0.51 -0.02 -0.20 2.90 2.02 -0.01 0.13 118.70 123.02 2jmu s GLU 157 Ca 0.01 0.33 -0.07 0.00 0.02 0.00 0.00 54.97 55.26 2jmu s GLU 157 Cb -0.05 -0.31 -0.03 0.00 0.10 0.00 0.00 34.13 33.84 2jmu s GLU 157 CO 0.00 -0.23 0.05 0.08 0.02 0.00 0.00 175.26 175.18 2jmu s VAL 158 N 1.55 4.43 -0.18 2.63 1.01 0.60 0.15 120.40 130.59 2jmu s VAL 158 Ca -0.04 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2jmu s VAL 158 Cb -0.12 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.26 2jmu s VAL 158 CO -0.04 0.42 -0.18 -0.70 0.00 0.00 0.00 175.10 174.60 2jmu s GLU 159 N 0.84 2.83 0.09 2.72 2.12 0.17 -0.55 118.70 126.91 2jmu s GLU 159 Ca 0.03 -0.83 0.05 0.00 0.36 0.00 0.00 54.97 54.58 2jmu s GLU 159 Cb -0.14 -2.53 -0.03 0.00 0.26 0.00 0.00 34.13 31.69 2jmu s GLU 159 CO 0.02 -0.24 -0.13 0.00 -0.54 0.00 0.00 175.26 174.38 2jmu s ALA 160 N 1.31 1.18 -0.08 6.30 0.00 -0.31 -1.08 121.76 129.07 2jmu s ALA 160 Ca 0.04 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.94 2jmu s ALA 160 Cb -0.13 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 22.95 2jmu s ALA 160 CO -0.12 0.09 -0.14 -1.64 0.00 0.00 0.00 175.76 173.95 2jmu s MET 161 N -2.17 1.95 0.06 0.00 -1.94 -1.26 0.34 119.30 116.27 2jmu s MET 161 Ca 0.01 -0.49 0.05 0.00 -1.71 0.00 0.00 55.69 53.55 2jmu s MET 161 Cb -0.07 -1.61 -0.04 0.00 2.01 0.00 0.00 34.83 35.12 2jmu s MET 161 CO 0.02 0.02 -0.06 0.14 -0.01 0.00 0.00 175.02 175.12 2jmu s VAL 162 N 0.72 3.64 -0.44 -6.03 -7.23 0.45 -4.83 120.40 106.68 2jmu s VAL 162 Ca -0.13 -0.99 0.16 0.00 -1.81 0.00 0.00 61.98 59.21 2jmu s VAL 162 Cb -0.16 -2.66 0.66 0.00 0.56 0.00 0.00 36.38 34.78 2jmu s VAL 162 CO 0.03 0.24 1.57 1.57 -0.31 0.00 0.00 175.10 178.19 2jmu n HIS 163 N 1.04 1.42 -3.68 2.82 -0.00 -1.26 0.75 115.22 116.31 2jmu n HIS 163 Ca -0.14 -0.75 -0.10 0.00 0.46 0.00 0.00 57.72 57.20 2jmu n HIS 163 Cb 0.52 -0.35 -0.10 0.00 -0.12 0.00 0.00 29.99 29.95 2jmu n HIS 163 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 2jmu s GLU 164 N -2.48 0.51 0.29 1.57 1.03 -1.26 -4.79 118.70 113.56 2jmu s GLU 164 Ca 0.47 0.90 0.10 0.00 0.03 0.00 0.00 54.97 56.47 2jmu s GLU 164 Cb 0.35 0.06 0.44 0.00 -0.80 0.00 0.00 34.13 34.17 2jmu s GLU 164 CO 0.15 -0.15 1.66 -0.22 -1.33 0.00 0.00 175.26 175.38 2jmu h LYS 165 N 6.87 0.06 -0.49 -4.83 3.64 -0.86 -2.91 116.57 118.05 2jmu h LYS 165 Ca -0.34 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.09 2jmu h LYS 165 Cb 1.20 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 2jmu h LYS 165 CO 0.24 0.58 0.33 0.00 -2.27 0.00 0.00 179.45 178.34 2jmu h ALA 166 N 1.41 2.07 -0.08 5.00 0.00 -1.98 0.44 119.26 126.12 2jmu h ALA 166 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jmu h ALA 166 Cb 0.97 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2jmu h ALA 166 CO 0.07 -0.18 0.00 0.39 0.00 0.00 0.00 179.25 179.54 2jmu n GLU 167 N -4.46 1.51 0.33 0.00 4.71 -1.10 -4.12 120.64 117.51 2jmu n GLU 167 Ca 0.07 -0.76 -0.17 0.00 -0.01 0.00 0.00 57.16 56.30 2jmu n GLU 167 Cb 0.35 -1.41 -0.09 0.00 -1.01 0.00 0.00 31.44 29.28 2jmu n GLU 167 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2jmu h VAL 168 N 1.64 0.37 -0.11 2.62 2.07 -0.97 0.11 116.25 121.98 2jmu h VAL 168 Ca 0.00 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2jmu h VAL 168 Cb 0.35 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2jmu h VAL 168 CO 0.00 0.02 -0.00 1.55 0.02 0.00 0.00 177.57 179.15 2jmu h PRO 169 N -0.89 0.15 0.28 1.57 0.13 -1.76 0.18 132.00 131.66 2jmu h PRO 169 Ca -0.08 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 2jmu h PRO 169 Cb 0.65 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.76 2jmu h PRO 169 CO 0.14 0.17 -0.13 0.00 -0.23 0.00 0.00 178.00 177.94 2jmu h ALA 170 N 1.86 -0.37 -0.65 -0.56 0.00 -1.73 -1.04 119.26 116.76 2jmu h ALA 170 Ca 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2jmu h ALA 170 Cb 0.11 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2jmu h ALA 170 CO 0.00 -0.52 0.33 0.00 0.00 0.00 0.00 179.25 179.06 2jmu h ALA 171 N -0.20 1.36 0.07 0.00 0.00 -0.51 -1.90 119.26 118.09 2jmu h ALA 171 Ca -0.04 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2jmu h ALA 171 Cb 0.50 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2jmu h ALA 171 CO 0.06 0.51 -0.13 1.25 0.00 0.00 0.00 179.25 180.94 2jmu h LEU 172 N 0.91 -0.35 -1.49 0.00 5.85 -0.58 -0.59 115.31 119.06 2jmu h LEU 172 Ca 0.23 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 2jmu h LEU 172 Cb 0.06 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2jmu h LEU 172 CO -0.03 -0.19 0.21 -0.33 -0.34 0.00 0.00 178.44 177.76 2jmu h GLU 173 N -0.26 0.56 0.01 1.25 5.08 -0.69 0.25 114.58 120.79 2jmu h GLU 173 Ca 0.02 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2jmu h GLU 173 Cb 0.27 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2jmu h GLU 173 CO -0.07 0.42 -0.01 0.87 -1.00 0.00 0.00 179.01 179.22 2jmu h LYS 174 N 0.57 -0.02 -0.33 2.33 1.79 -0.79 0.13 116.57 120.24 2jmu h LYS 174 Ca 0.15 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.50 2jmu h LYS 174 Cb 0.03 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 2jmu h LYS 174 CO -0.02 0.18 -0.28 -0.84 -1.08 0.00 0.00 179.45 177.40 2jmu h ILE 175 N -0.21 1.28 0.12 1.86 3.07 -0.60 -1.88 117.51 121.15 2jmu h ILE 175 Ca -0.00 -1.40 0.00 0.00 1.55 0.00 0.00 64.86 65.01 2jmu h ILE 175 Cb 0.21 1.33 -0.01 0.00 -0.27 0.00 0.00 36.82 38.07 2jmu h ILE 175 CO 0.00 0.46 -0.13 0.40 -1.05 0.00 0.00 178.15 177.83 2jmu h ILE 176 N 0.59 0.72 -0.07 0.16 1.08 -0.41 -1.98 117.51 117.59 2jmu h ILE 176 Ca 0.07 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.54 2jmu h ILE 176 Cb 0.78 0.72 -0.00 0.00 -3.07 0.00 0.00 36.82 35.24 2jmu h ILE 176 CO 0.06 0.00 0.03 0.74 -0.69 0.00 0.00 178.15 178.29 2jmu h THR 177 N -0.28 1.14 -0.65 -0.27 2.02 -0.79 -2.06 112.91 112.02 2jmu h THR 177 Ca 0.01 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 2jmu h THR 177 Cb 0.27 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 2jmu h THR 177 CO -0.04 0.12 0.35 0.58 0.37 0.00 0.00 175.52 176.91 2jmu h VAL 178 N -0.04 1.20 -0.33 3.16 2.07 -1.34 -1.25 116.25 119.72 2jmu h VAL 178 Ca 0.02 -0.50 -0.11 0.00 0.82 0.00 0.00 66.70 66.94 2jmu h VAL 178 Cb 0.17 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2jmu h VAL 178 CO -0.00 0.22 -0.23 0.28 0.02 0.00 0.00 177.57 177.86 2jmu h SER 179 N 0.91 0.66 0.78 0.57 0.02 -1.16 -1.43 113.55 113.89 2jmu h SER 179 Ca 0.23 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 2jmu h SER 179 Cb 0.03 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 2jmu h SER 179 CO -0.04 0.87 -0.34 -1.28 -1.14 0.00 0.00 176.83 174.90 2jmu h SER 180 N 0.57 0.00 1.34 3.07 0.87 -0.63 0.13 113.55 118.90 2jmu h SER 180 Ca 0.08 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 2jmu h SER 180 Cb 0.70 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 2jmu h SER 180 CO 0.05 0.34 -0.25 -0.03 -0.53 0.00 0.00 176.83 176.42 2jmu h MET 181 N 0.00 0.00 0.00 2.24 -1.53 -0.56 -3.03 114.93 112.05 2jmu h MET 181 Ca -0.00 0.00 -0.21 0.00 -3.44 0.00 0.00 59.70 56.05 2jmu h MET 181 Cb 0.83 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.84 2jmu h MET 181 CO 0.04 0.25 -1.33 -0.07 0.14 0.00 0.00 176.91 175.95 2jmu h LEU 182 N 0.00 0.00 0.00 3.39 3.38 -0.48 -3.50 115.31 118.09 2jmu h LEU 182 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jmu h LEU 182 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2jmu h LEU 182 CO 0.03 0.79 0.00 0.61 0.09 0.00 0.00 178.44 179.96 2jmu n GLY 183 N 1.42 -0.24 3.31 0.83 0.00 -0.04 -1.61 105.19 108.86 2jmu n GLY 183 Ca -0.09 0.48 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 2.25 0.47 1.61 1.01 0.08 -4.41 120.40 121.42 2jmu s VAL 184 Ca 0.00 -1.01 -0.24 0.00 0.00 0.00 0.00 61.98 60.73 2jmu s VAL 184 Cb 0.00 -1.82 -0.07 0.00 0.00 0.00 0.00 36.38 34.49 2jmu s VAL 184 CO 0.00 0.57 1.38 -2.16 0.00 0.00 0.00 175.10 174.89 2jmu s PRO 185 N -0.35 3.56 0.28 2.72 0.04 -1.26 0.92 135.00 140.91 2jmu s PRO 185 Ca 0.02 2.29 -0.01 0.00 0.04 0.00 0.00 61.00 63.35 2jmu s PRO 185 Cb -0.12 -2.53 -0.02 0.00 0.04 0.00 0.00 34.50 31.86 2jmu s PRO 185 CO 0.02 -0.88 0.31 0.00 0.04 0.00 0.00 177.00 176.49 2jmu s ALA 186 N -1.26 1.08 -0.30 8.56 0.00 -0.99 -4.52 121.76 124.33 2jmu s ALA 186 Ca 0.64 -1.65 -0.16 0.00 0.00 0.00 0.00 51.96 50.78 2jmu s ALA 186 Cb -0.41 1.31 0.18 0.00 0.00 0.00 0.00 23.12 24.20 2jmu s ALA 186 CO 0.51 -0.70 1.18 -1.14 0.00 0.00 0.00 175.76 175.62 2jmu s GLN 187 N -3.66 0.02 -0.00 0.00 -0.44 -1.26 -4.22 119.66 110.10 2jmu s GLN 187 Ca 0.35 0.02 0.09 0.00 -2.50 0.00 0.00 55.36 53.33 2jmu s GLN 187 Cb 0.03 0.01 0.15 0.00 -1.64 0.00 0.00 33.01 31.56 2jmu s GLN 187 CO 0.18 -0.04 1.06 -0.85 0.50 0.00 0.00 175.29 176.14 2jmu n GLU 188 N 5.05 0.01 -0.96 1.67 0.00 -1.26 -5.00 120.64 120.15 2jmu n GLU 188 Ca 0.09 -1.35 0.00 0.00 0.00 0.00 0.00 57.16 55.90 2jmu n GLU 188 Cb 0.58 -0.33 0.00 0.00 0.00 0.00 0.00 31.44 31.69 2jmu n GLU 188 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2jmu n GLU 189 N 0.16 -1.15 -2.13 3.44 -0.58 -1.26 -4.31 120.64 114.81 2jmu n GLU 189 Ca 0.02 0.29 -0.03 0.00 -0.42 0.00 0.00 57.16 57.02 2jmu n GLU 189 Cb 0.85 -4.25 -0.03 0.00 -0.57 0.00 0.00 31.44 27.45 2jmu n GLU 189 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jmu n ALA 190 N 1.00 -3.41 -2.00 0.62 0.00 -1.26 -4.39 120.51 111.07 2jmu n ALA 190 Ca 0.00 1.34 -0.34 0.00 0.00 0.00 0.00 53.44 54.44 2jmu n ALA 190 Cb 0.29 -2.62 -0.06 0.00 0.00 0.00 0.00 19.45 17.05 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 -0.82 4.22 0.69 0.00 0.05 -1.26 -5.04 135.00 132.83 2jmu s PRO 191 Ca -0.16 0.93 -0.11 0.00 0.05 0.00 0.00 61.00 61.71 2jmu s PRO 191 Cb 0.01 -2.56 0.00 0.00 0.05 0.00 0.00 34.50 32.01 2jmu s PRO 191 CO 0.46 0.20 1.06 0.00 0.05 0.00 0.00 177.00 178.77 2jmu s ALA 192 N -1.84 2.79 0.24 8.56 0.00 -1.26 -4.89 121.76 125.35 2jmu s ALA 192 Ca 0.52 -0.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.36 2jmu s ALA 192 Cb -0.13 -3.12 0.41 0.00 0.00 0.00 0.00 23.12 20.28 2jmu s ALA 192 CO 0.18 -1.10 1.74 0.87 0.00 0.00 0.00 175.76 177.45 2jmu h LYS 193 N -0.63 0.44 0.00 0.00 1.79 -2.00 0.11 116.57 116.29 2jmu h LYS 193 Ca -0.44 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 57.97 2jmu h LYS 193 Cb 1.22 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.76 2jmu h LYS 193 CO 0.60 0.29 -0.14 1.25 -1.08 0.00 0.00 179.45 180.37 2jmu h LEU 194 N 0.45 0.00 -0.62 2.94 7.12 -1.96 0.23 115.31 123.47 2jmu h LEU 194 Ca 0.39 0.00 -0.15 0.00 0.13 0.00 0.00 57.88 58.25 2jmu h LEU 194 Cb 0.55 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.66 2jmu h LEU 194 CO -0.37 0.14 -0.69 0.24 -0.13 0.00 0.00 178.44 177.63 2jmu h MET 195 N 0.00 0.01 -0.47 1.25 2.86 -1.15 -2.13 114.93 115.31 2jmu h MET 195 Ca -0.00 -0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 2jmu h MET 195 Cb 0.46 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 2jmu h MET 195 CO 0.02 0.69 -0.15 0.28 1.06 0.00 0.00 176.91 178.81 2jmu h VAL 196 N 0.01 1.27 -0.91 -2.22 2.07 -0.42 -1.54 116.25 114.51 2jmu h VAL 196 Ca -0.01 -1.28 0.15 0.00 0.82 0.00 0.00 66.70 66.38 2jmu h VAL 196 Cb 1.22 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 31.98 2jmu h VAL 196 CO 0.09 0.44 0.58 0.22 0.02 0.00 0.00 177.57 178.92 2jmu h TYR 197 N 0.79 0.86 0.33 1.57 3.20 -0.66 0.86 116.97 123.92 2jmu h TYR 197 Ca 0.12 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 2jmu h TYR 197 Cb 0.69 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.69 2jmu h TYR 197 CO 0.04 0.31 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.64 2jmu h LEU 198 N 0.72 -0.37 -1.76 2.82 3.38 -0.69 -2.02 115.31 117.38 2jmu h LEU 198 Ca 0.46 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.33 2jmu h LEU 198 Cb 0.72 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2jmu h LEU 198 CO -0.22 0.07 0.29 0.06 0.09 0.00 0.00 178.44 178.73 2jmu h GLN 199 N -0.92 0.28 0.03 1.13 3.07 -0.77 0.72 115.11 118.65 2jmu h GLN 199 Ca -0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 58.65 58.68 2jmu h GLN 199 Cb 0.52 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.02 2jmu h GLN 199 CO 0.07 0.19 -0.02 -0.09 0.09 0.00 0.00 178.83 179.08 2jmu h ARG 200 N 0.29 -0.04 0.00 0.06 9.65 -0.89 -3.36 114.38 120.09 2jmu h ARG 200 Ca 0.19 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.91 2jmu h ARG 200 Cb 0.38 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.94 2jmu h ARG 200 CO -0.04 0.51 -2.09 1.19 2.80 0.00 0.00 179.97 182.34 2jmu n PHE 201 N -4.84 0.00 -3.17 2.20 3.01 -0.76 -4.79 117.46 109.10 2jmu n PHE 201 Ca -0.09 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.16 2jmu n PHE 201 Cb 0.29 -0.68 -0.06 0.00 -0.01 0.00 0.00 39.48 39.02 2jmu n PHE 201 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 2jmu n ARG 202 N -2.44 0.46 0.10 -1.08 1.85 0.25 -5.01 116.66 110.79 2jmu n ARG 202 Ca -0.17 -2.89 0.01 0.00 -1.00 0.00 0.00 57.85 53.81 2jmu n ARG 202 Cb 0.81 -1.47 0.34 0.00 -1.05 0.00 0.00 32.46 31.09 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 4.84 0.27 -0.22 2.89 0.11 -1.69 -0.67 132.00 137.53 2jmu h PRO 203 Ca 0.13 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 2jmu h PRO 203 Cb 0.94 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 2jmu h PRO 203 CO 0.35 0.45 -0.12 1.25 -0.21 0.00 0.00 178.00 179.72 2jmu h LEU 204 N 0.25 0.49 -1.13 2.35 7.12 -1.93 -2.40 115.31 120.05 2jmu h LEU 204 Ca 0.05 -0.42 -0.06 0.00 0.13 0.00 0.00 57.88 57.58 2jmu h LEU 204 Cb 0.47 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.44 2jmu h LEU 204 CO 0.03 0.80 -0.05 -0.78 -0.13 0.00 0.00 178.44 178.31 2jmu h ASP 205 N 0.18 0.52 -0.26 1.25 3.58 -1.80 -1.40 116.42 118.49 2jmu h ASP 205 Ca 0.05 -0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.39 2jmu h ASP 205 Cb 0.62 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 2jmu h ASP 205 CO 0.03 0.63 0.14 0.22 -2.88 0.00 0.00 179.24 177.38 2jmu h TYR 206 N 0.51 0.27 -0.85 0.28 3.20 -1.02 -2.59 116.97 116.77 2jmu h TYR 206 Ca 0.10 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 2jmu h TYR 206 Cb 0.41 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 2jmu h TYR 206 CO 0.01 0.16 0.49 1.96 -1.64 0.00 0.00 178.16 179.14 2jmu h GLN 207 N 0.30 1.17 -0.58 1.82 4.20 -0.75 0.56 115.11 121.83 2jmu h GLN 207 Ca 0.10 -0.12 0.06 0.00 0.06 0.00 0.00 58.65 58.75 2jmu h GLN 207 Cb 0.01 -0.24 -0.05 0.00 0.30 0.00 0.00 27.48 27.50 2jmu h GLN 207 CO -0.05 0.84 0.29 0.00 -0.67 0.00 0.00 178.83 179.24 2jmu h ARG 208 N 1.18 0.53 -0.02 1.46 3.08 -1.13 -0.52 114.38 118.97 2jmu h ARG 208 Ca 0.30 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 2jmu h ARG 208 Cb -0.01 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.92 2jmu h ARG 208 CO -0.05 0.35 -0.05 1.25 -1.07 0.00 0.00 179.97 180.41 2jmu h LEU 209 N 0.55 0.07 -0.29 3.04 5.85 -1.09 -3.32 115.31 120.13 2jmu h LEU 209 Ca 0.26 -0.59 0.05 0.00 0.84 0.00 0.00 57.88 58.43 2jmu h LEU 209 Cb 0.18 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2jmu h LEU 209 CO -0.19 0.65 0.03 0.25 -0.34 0.00 0.00 178.44 178.85 2jmu h LEU 210 N -0.50 -0.05 -1.80 2.25 5.85 0.71 0.19 115.31 121.96 2jmu h LEU 210 Ca -0.00 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2jmu h LEU 210 Cb 0.64 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 2jmu h LEU 210 CO 0.01 0.01 -0.12 -0.33 -0.34 0.00 0.00 178.44 177.67 2jmu h GLU 211 N 0.12 0.00 0.00 1.25 4.39 -1.27 -0.57 114.58 118.50 2jmu h GLU 211 Ca 0.14 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.69 2jmu h GLU 211 Cb 0.16 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2jmu h GLU 211 CO -0.20 0.12 -0.92 0.00 -1.16 0.00 0.00 179.01 176.85 2jmu h ALA 212 N 1.88 0.63 -0.59 3.43 0.00 -1.38 -3.31 119.26 119.92 2jmu h ALA 212 Ca -0.00 -0.66 -0.19 0.00 0.00 0.00 0.00 54.91 54.06 2jmu h ALA 212 Cb 0.22 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 17.96 2jmu h ALA 212 CO 0.02 0.81 0.18 0.00 0.00 0.00 0.00 179.25 180.26 2jmu n ALA 213 N -2.31 4.28 -2.26 0.00 0.00 0.58 -4.85 120.51 115.95 2jmu n ALA 213 Ca -0.03 -2.52 -0.33 0.00 0.00 0.00 0.00 53.44 50.56 2jmu n ALA 213 Cb 0.80 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.15 2jmu n ALA 213 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jmu s SER 214 N -1.52 5.71 -0.15 0.00 0.15 -0.47 -4.63 113.70 112.79 2jmu s SER 214 Ca 0.51 -1.49 0.17 0.00 0.70 0.00 0.00 55.95 55.84 2jmu s SER 214 Cb 0.42 -2.58 0.43 0.00 -1.71 0.00 0.00 66.02 62.58 2jmu s SER 214 CO 0.10 -2.30 1.31 -0.24 1.20 0.00 0.00 173.24 173.31 2jmu n SER 215 N 12.01 3.27 -3.58 5.45 2.88 -1.26 -4.87 113.62 127.52 2jmu n SER 215 Ca 0.42 -2.98 -0.41 0.00 -1.33 0.00 0.00 58.87 54.57 2jmu n SER 215 Cb 0.47 -0.48 -0.01 0.00 -0.75 0.00 0.00 64.21 63.44 2jmu n SER 215 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jmu n GLY 216 N -0.79 4.34 3.69 0.46 0.00 -1.26 -4.90 105.19 106.73 2jmu n GLY 216 Ca 0.19 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 2jmu n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jmu s GLU 217 N 2.85 4.30 0.03 1.61 0.41 -1.26 -5.04 118.70 121.59 2jmu s GLU 217 Ca 0.55 0.58 -0.04 0.00 -0.41 0.00 0.00 54.97 55.66 2jmu s GLU 217 Cb 0.15 -3.50 -0.01 0.00 -1.78 0.00 0.00 34.13 28.99 2jmu s GLU 217 CO -0.08 -0.03 0.06 0.00 -0.49 0.00 0.00 175.26 174.72 2jmu s ALA 218 N 1.20 -0.02 -0.14 5.21 0.00 -1.26 -5.00 121.76 121.74 2jmu s ALA 218 Ca 0.29 -0.53 -0.02 0.00 0.00 0.00 0.00 51.96 51.70 2jmu s ALA 218 Cb -0.16 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.16 2jmu s ALA 218 CO 0.12 -0.25 0.04 2.41 0.00 0.00 0.00 175.76 178.08 2jmu n THR 219 N 1.10 -7.46 -2.81 0.00 -1.04 -0.48 -5.00 114.28 98.58 2jmu n THR 219 Ca -0.21 1.12 -0.21 0.00 -2.04 0.00 0.00 64.05 62.71 2jmu n THR 219 Cb 0.57 -5.35 0.07 0.00 -1.82 0.00 0.00 70.33 63.80 2jmu n THR 219 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2jmu s GLY 220 N -0.66 1.78 -0.55 3.41 0.00 -1.26 -5.03 107.32 105.00 2jmu s GLY 220 Ca -0.05 -1.84 -0.18 0.00 0.00 0.00 0.00 44.72 42.65 2jmu s GLY 220 CO 0.40 -1.39 0.61 -0.35 0.00 0.00 0.00 173.10 172.37 2jmu s ASP 221 N -4.64 6.19 -0.07 1.64 2.15 -1.26 -4.90 116.67 115.78 2jmu s ASP 221 Ca 0.62 -1.38 0.02 0.00 0.43 0.00 0.00 52.55 52.24 2jmu s ASP 221 Cb -0.06 -2.27 -0.02 0.00 -0.30 0.00 0.00 42.92 40.27 2jmu s ASP 221 CO 0.40 -0.96 -0.13 -0.55 -0.17 0.00 0.00 175.17 173.77 2jmu s SER 222 N 3.30 4.13 -0.66 -0.34 0.15 -1.25 -4.68 113.70 114.34 2jmu s SER 222 Ca 0.10 -0.20 -0.27 0.00 0.70 0.00 0.00 55.95 56.28 2jmu s SER 222 Cb -0.24 -1.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 2jmu s SER 222 CO 0.07 0.30 1.57 0.00 1.20 0.00 0.00 173.24 176.38 2jmu s ALA 223 N -0.47 2.50 0.00 5.45 0.00 -1.26 -4.81 121.76 123.16 2jmu s ALA 223 Ca 0.06 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2jmu s ALA 223 Cb -0.12 -4.26 0.00 0.00 0.00 0.00 0.00 23.12 18.74 2jmu s ALA 223 CO 0.02 -3.51 0.00 0.43 0.00 0.00 0.00 175.76 172.69