#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jmh h LEU 2 N 0.00 0.56 -1.07 4.03 7.12 -1.97 -2.33 115.31 121.65 1jmh h LEU 2 Ca 0.00 0.09 0.00 0.00 0.13 0.00 0.00 57.88 58.10 1jmh h LEU 2 Cb 0.00 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1jmh h LEU 2 CO 0.00 0.15 0.00 -1.84 -0.13 0.00 0.00 178.44 176.62 1jmh n GLU 3 N -4.69 1.74 -0.34 1.25 0.28 -1.26 -4.53 120.64 113.08 1jmh n GLU 3 Ca 0.24 -1.07 0.25 0.00 -0.16 0.00 0.00 57.16 56.42 1jmh n GLU 3 Cb 0.76 -1.47 0.52 0.00 1.43 0.00 0.00 31.44 32.68 1jmh n GLU 3 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1jmh h GLN 4 N 2.58 0.34 -0.76 3.44 5.75 -1.86 -0.79 115.11 123.81 1jmh h GLN 4 Ca 0.00 -0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.58 1jmh h GLN 4 Cb 0.55 -0.08 -0.08 0.00 1.07 0.00 0.00 27.48 28.95 1jmh h GLN 4 CO 0.00 0.23 0.39 -1.35 -2.65 0.00 0.00 178.83 175.45 1jmh h PRO 5 N 0.35 0.63 -0.51 -2.39 0.11 -1.84 0.24 132.00 128.59 1jmh h PRO 5 Ca 0.64 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.74 1jmh h PRO 5 Cb 1.66 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.59 1jmh h PRO 5 CO -0.34 0.41 0.28 -0.92 -0.21 0.00 0.00 178.00 177.23 1jmh h TYR 6 N 0.64 0.52 -0.60 0.65 3.20 -1.49 0.29 116.97 120.19 1jmh h TYR 6 Ca 0.38 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.21 1jmh h TYR 6 Cb 0.41 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1jmh h TYR 6 CO -0.10 0.28 0.13 -0.07 -1.64 0.00 0.00 178.16 176.76 1jmh h LEU 7 N 0.55 0.92 -1.31 2.82 3.38 -1.33 -2.20 115.31 118.14 1jmh h LEU 7 Ca 0.21 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1jmh h LEU 7 Cb 0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1jmh h LEU 7 CO -0.12 0.92 -0.01 0.44 0.09 0.00 0.00 178.44 179.77 1jmh h ASP 8 N 0.87 0.42 -0.46 -0.43 3.32 0.32 0.11 116.42 120.57 1jmh h ASP 8 Ca 0.19 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1jmh h ASP 8 Cb 0.37 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1jmh h ASP 8 CO 0.01 0.49 0.15 0.25 -1.72 0.00 0.00 179.24 178.42 1jmh h LEU 9 N 0.44 0.66 -0.34 1.55 6.46 0.02 -0.39 115.31 123.71 1jmh h LEU 9 Ca 0.10 -0.20 -0.15 0.00 -0.12 0.00 0.00 57.88 57.51 1jmh h LEU 9 Cb 0.30 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1jmh h LEU 9 CO 0.01 0.68 -0.37 0.00 -0.62 0.00 0.00 178.44 178.14 1jmh h ALA 10 N 1.01 0.50 0.28 1.25 0.00 -0.80 -1.12 119.26 120.38 1jmh h ALA 10 Ca 0.15 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1jmh h ALA 10 Cb 0.25 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1jmh h ALA 10 CO -0.01 0.59 -0.17 -0.22 0.00 0.00 0.00 179.25 179.44 1jmh h LYS 11 N 0.64 -0.42 -0.73 0.00 3.64 -0.68 -2.10 116.57 116.93 1jmh h LYS 11 Ca 0.05 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1jmh h LYS 11 Cb 0.96 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.83 1jmh h LYS 11 CO 0.09 -0.28 0.45 -0.22 -2.27 0.00 0.00 179.45 177.23 1jmh h LYS 12 N -0.43 0.85 -0.19 1.90 3.64 -1.03 -0.84 116.57 120.47 1jmh h LYS 12 Ca -0.03 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 1jmh h LYS 12 Cb 0.36 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1jmh h LYS 12 CO 0.03 0.56 -0.12 -0.24 -2.27 0.00 0.00 179.45 177.42 1jmh h VAL 13 N 0.88 1.19 -0.21 2.00 3.04 -1.04 -0.50 116.25 121.60 1jmh h VAL 13 Ca 0.30 -0.81 -0.08 0.00 -1.01 0.00 0.00 66.70 65.10 1jmh h VAL 13 Cb 0.04 1.18 -0.00 0.00 -2.01 0.00 0.00 31.29 30.49 1jmh h VAL 13 CO -0.12 0.26 -0.17 -0.07 -1.01 0.00 0.00 177.57 176.46 1jmh h LEU 14 N 0.28 0.51 0.45 3.16 3.38 -0.55 -0.59 115.31 121.96 1jmh h LEU 14 Ca 0.06 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 1jmh h LEU 14 Cb 0.38 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1jmh h LEU 14 CO 0.02 0.86 -0.22 0.44 0.09 0.00 0.00 178.44 179.64 1jmh h ASP 15 N 0.16 -0.51 0.00 -0.43 5.19 -0.81 -3.38 116.42 116.64 1jmh h ASP 15 Ca 0.04 -0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.37 1jmh h ASP 15 Cb 0.70 0.13 -0.04 0.00 0.18 0.00 0.00 39.33 40.30 1jmh h ASP 15 CO 0.04 -0.25 -0.45 -1.84 -3.12 0.00 0.00 179.24 173.62 1jmh n GLU 16 N -5.29 1.29 -3.04 3.56 0.28 -0.23 -5.04 120.64 112.17 1jmh n GLU 16 Ca -0.11 -2.93 -0.38 0.00 -0.16 0.00 0.00 57.16 53.58 1jmh n GLU 16 Cb 0.29 -1.38 -0.06 0.00 1.43 0.00 0.00 31.44 31.72 1jmh n GLU 16 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1jmh s GLY 17 N -2.95 2.79 0.07 -1.84 0.00 -0.23 -4.91 107.32 100.25 1jmh s GLY 17 Ca 0.35 0.27 -0.09 0.00 0.00 0.00 0.00 44.72 45.25 1jmh s GLY 17 CO -0.06 0.71 0.38 -2.38 0.00 0.00 0.00 173.10 171.76 1jmh s HIS 18 N -1.30 3.58 -0.35 1.90 -3.43 -0.46 -4.68 115.29 110.55 1jmh s HIS 18 Ca 0.38 0.74 -0.28 0.00 -0.80 0.00 0.00 55.06 55.10 1jmh s HIS 18 Cb -0.20 -2.13 -0.01 0.00 -1.43 0.00 0.00 32.58 28.81 1jmh s HIS 18 CO 0.24 0.53 1.69 0.12 -2.00 0.00 0.00 174.74 175.31 1jmh s PHE 19 N -1.40 1.97 -0.13 0.38 2.19 -1.26 -1.23 117.98 118.50 1jmh s PHE 19 Ca 0.33 0.63 -0.00 0.00 0.33 0.00 0.00 56.93 58.22 1jmh s PHE 19 Cb -0.14 -4.18 -0.02 0.00 -1.31 0.00 0.00 43.02 37.38 1jmh s PHE 19 CO 0.18 -2.70 -0.13 0.21 1.83 0.00 0.00 175.22 174.62 1jmh s LYS 20 N 5.45 3.37 -0.48 10.12 2.20 0.83 -4.96 119.74 136.27 1jmh s LYS 20 Ca 0.75 -0.68 -0.28 0.00 -0.36 0.00 0.00 55.97 55.39 1jmh s LYS 20 Cb -0.20 -2.63 0.00 0.00 -1.51 0.00 0.00 37.83 33.50 1jmh s LYS 20 CO 0.33 0.22 1.51 -1.25 -0.36 0.00 0.00 175.35 175.81 1jmh s PRO 21 N 0.32 3.34 0.41 4.03 0.04 -1.26 -1.71 135.00 140.18 1jmh s PRO 21 Ca -0.10 0.78 -0.25 0.00 0.04 0.00 0.00 61.00 61.47 1jmh s PRO 21 Cb -0.16 -4.12 -0.08 0.00 0.04 0.00 0.00 34.50 30.18 1jmh s PRO 21 CO 0.06 -1.87 1.15 0.34 0.04 0.00 0.00 177.00 176.72 1jmh s ASP 22 N 4.83 6.49 0.54 6.66 2.15 -1.24 -4.90 116.67 131.19 1jmh s ASP 22 Ca 0.61 2.30 0.40 0.00 0.43 0.00 0.00 52.55 56.29 1jmh s ASP 22 Cb -0.14 -2.61 1.59 0.00 -0.30 0.00 0.00 42.92 41.47 1jmh s ASP 22 CO 0.29 -0.70 1.74 -0.09 -0.17 0.00 0.00 175.17 176.23 1jmh h ARG 23 N 2.51 0.01 0.00 4.34 9.65 -1.94 -3.33 114.38 125.62 1jmh h ARG 23 Ca -0.49 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1jmh h ARG 23 Cb 1.23 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 1jmh h ARG 23 CO 0.62 0.01 0.00 2.41 2.80 0.00 0.00 179.97 185.81 1jmh n THR 24 N -4.13 0.00 0.00 0.20 -1.04 -1.26 -4.98 114.28 103.06 1jmh n THR 24 Ca 0.31 0.26 0.00 0.00 -2.04 0.00 0.00 64.05 62.59 1jmh n THR 24 Cb 1.46 -1.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.83 1jmh n THR 24 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1jmh n HIS 25 N 0.00 0.00 -2.65 -1.42 8.25 -1.25 -5.10 115.22 113.04 1jmh n HIS 25 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 1jmh n HIS 25 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 1jmh n HIS 25 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1jmh s THR 26 N -0.69 4.39 0.90 1.59 2.01 -1.26 -4.97 115.64 117.60 1jmh s THR 26 Ca 0.00 1.92 -0.14 0.00 0.31 0.00 0.00 61.69 63.79 1jmh s THR 26 Cb 0.00 -4.23 0.14 0.00 0.01 0.00 0.00 72.50 68.42 1jmh s THR 26 CO 0.00 0.27 1.20 -0.83 -0.69 0.00 0.00 174.62 174.57 1jmh s GLY 27 N 0.23 1.63 -0.00 4.40 0.00 -1.26 -3.65 107.32 108.67 1jmh s GLY 27 Ca 0.49 -0.77 -0.11 0.00 0.00 0.00 0.00 44.72 44.33 1jmh s GLY 27 CO 0.31 -0.17 0.22 -0.51 0.00 0.00 0.00 173.10 172.94 1jmh s THR 28 N -3.54 0.07 -0.41 0.90 -4.23 -0.69 -1.92 115.64 105.82 1jmh s THR 28 Ca 0.66 -0.60 -0.12 0.00 -1.18 0.00 0.00 61.69 60.44 1jmh s THR 28 Cb -0.10 -0.55 0.04 0.00 1.34 0.00 0.00 72.50 73.24 1jmh s THR 28 CO 0.52 -0.33 0.27 -0.31 -0.54 0.00 0.00 174.62 174.22 1jmh s TYR 29 N -1.43 3.26 0.33 3.99 1.51 -0.56 -0.12 117.35 124.32 1jmh s TYR 29 Ca -0.14 -0.98 0.09 0.00 -1.01 0.00 0.00 57.07 55.03 1jmh s TYR 29 Cb -0.06 -2.69 -0.06 0.00 -0.11 0.00 0.00 41.96 39.03 1jmh s TYR 29 CO 0.03 -0.70 -0.09 -1.54 -1.11 0.00 0.00 175.55 172.14 1jmh s SER 30 N 1.87 3.52 0.05 2.29 1.04 -0.37 -2.00 113.70 120.10 1jmh s SER 30 Ca 0.03 -1.20 -0.01 0.00 0.48 0.00 0.00 55.95 55.25 1jmh s SER 30 Cb -0.21 -0.31 -0.03 0.00 0.10 0.00 0.00 66.02 65.57 1jmh s SER 30 CO 0.07 -0.23 -0.01 0.27 0.98 0.00 0.00 173.24 174.31 1jmh s ILE 31 N -2.69 0.20 -0.14 -1.02 -4.36 -0.63 -1.35 121.20 111.21 1jmh s ILE 31 Ca 0.32 -1.65 0.02 0.00 -0.26 0.00 0.00 60.65 59.08 1jmh s ILE 31 Cb 0.03 -1.35 0.00 0.00 1.25 0.00 0.00 42.46 42.39 1jmh s ILE 31 CO 0.16 -0.91 -0.19 0.12 0.24 0.00 0.00 174.94 174.35 1jmh s PHE 32 N -3.60 2.71 0.00 1.37 5.36 -1.26 -1.18 117.98 121.38 1jmh s PHE 32 Ca 0.04 -1.18 0.00 0.00 -0.96 0.00 0.00 56.93 54.83 1jmh s PHE 32 Cb 0.06 -1.83 0.00 0.00 -0.34 0.00 0.00 43.02 40.90 1jmh s PHE 32 CO -0.09 -0.53 0.00 0.41 -1.46 0.00 0.00 175.22 173.55 1jmh n GLY 33 N 3.99 -3.18 3.59 13.12 0.00 0.59 -5.01 105.19 118.29 1jmh n GLY 33 Ca -0.19 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 1jmh n GLY 33 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jmh s HIS 34 N 0.00 -0.43 -0.01 1.61 5.04 -1.10 -4.96 115.29 115.45 1jmh s HIS 34 Ca 0.00 0.85 0.00 0.00 -1.54 0.00 0.00 55.06 54.37 1jmh s HIS 34 Cb 0.00 0.42 0.01 0.00 0.04 0.00 0.00 32.58 33.05 1jmh s HIS 34 CO 0.00 -0.33 0.01 -1.14 -2.34 0.00 0.00 174.74 170.94 1jmh s GLN 35 N -0.69 0.00 0.05 2.88 0.74 -1.26 0.34 119.66 121.73 1jmh s GLN 35 Ca -0.01 0.04 0.04 0.00 0.05 0.00 0.00 55.36 55.48 1jmh s GLN 35 Cb -0.02 -0.08 -0.02 0.00 1.10 0.00 0.00 33.01 33.99 1jmh s GLN 35 CO -0.00 -0.04 -0.11 -1.64 -0.55 0.00 0.00 175.29 172.95 1jmh s MET 36 N 0.28 0.70 -0.03 1.67 -1.94 -0.93 -4.99 119.30 114.06 1jmh s MET 36 Ca -0.02 -0.78 0.02 0.00 -1.71 0.00 0.00 55.69 53.19 1jmh s MET 36 Cb -0.03 -0.62 0.01 0.00 2.01 0.00 0.00 34.83 36.20 1jmh s MET 36 CO -0.01 0.14 -0.06 -0.98 -0.01 0.00 0.00 175.02 174.10 1jmh s ARG 37 N -1.44 0.74 -0.14 2.03 1.70 -1.26 0.00 118.95 120.58 1jmh s ARG 37 Ca -0.04 -0.19 0.01 0.00 -0.47 0.00 0.00 55.73 55.04 1jmh s ARG 37 Cb -0.09 -0.72 -0.00 0.00 -0.57 0.00 0.00 34.95 33.56 1jmh s ARG 37 CO 0.01 0.04 -0.16 -0.06 -1.08 0.00 0.00 175.30 174.05 1jmh s PHE 38 N 0.38 2.76 -0.43 5.89 0.08 0.38 -4.95 117.98 122.09 1jmh s PHE 38 Ca -0.05 -0.93 -0.26 0.00 0.12 0.00 0.00 56.93 55.80 1jmh s PHE 38 Cb -0.09 -1.86 0.02 0.00 -0.57 0.00 0.00 43.02 40.53 1jmh s PHE 38 CO 0.00 -0.40 0.96 0.34 -0.10 0.00 0.00 175.22 176.03 1jmh s ASP 39 N 0.64 6.59 0.00 1.36 -1.08 -1.26 -1.02 116.67 121.90 1jmh s ASP 39 Ca -0.08 0.36 0.16 0.00 -0.52 0.00 0.00 52.55 52.46 1jmh s ASP 39 Cb -0.16 -2.47 0.70 0.00 -1.46 0.00 0.00 42.92 39.53 1jmh s ASP 39 CO 0.03 -1.01 1.48 0.18 0.52 0.00 0.00 175.17 176.36 1jmh n LEU 40 N 7.14 0.00 0.02 -1.34 4.77 -0.24 -2.08 117.00 125.27 1jmh n LEU 40 Ca 0.08 0.43 0.13 0.00 -0.03 0.00 0.00 56.01 56.61 1jmh n LEU 40 Cb 0.48 -0.43 0.40 0.00 -2.33 0.00 0.00 43.42 41.55 1jmh n LEU 40 CO 0.63 -0.20 0.69 -1.54 -1.33 0.00 0.00 177.39 175.64 1jmh n SER 41 N -1.43 0.35 0.03 -1.43 3.41 -1.26 -3.75 113.62 109.54 1jmh n SER 41 Ca 0.05 0.18 0.03 0.00 -0.26 0.00 0.00 58.87 58.87 1jmh n SER 41 Cb 0.16 -0.16 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1jmh n SER 41 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jmh n LYS 42 N -1.65 0.63 0.00 4.33 5.02 -0.88 -5.05 118.16 120.56 1jmh n LYS 42 Ca 0.06 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1jmh n LYS 42 Cb 0.36 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1jmh n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jmh n GLY 43 N 1.36 3.29 3.70 0.72 0.00 -1.25 -4.80 105.19 108.20 1jmh n GLY 43 Ca -0.09 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1jmh n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jmh s PHE 44 N -2.00 3.15 0.00 1.61 5.36 -0.87 -4.64 117.98 120.59 1jmh s PHE 44 Ca 0.00 1.10 0.00 0.00 -0.96 0.00 0.00 56.93 57.07 1jmh s PHE 44 Cb 0.00 -3.51 0.00 0.00 -0.34 0.00 0.00 43.02 39.17 1jmh s PHE 44 CO 0.00 -1.73 0.92 -2.30 -1.46 0.00 0.00 175.22 170.65 1jmh n PRO 45 N 4.85 0.48 -2.97 10.12 -0.02 -1.26 -4.16 135.00 142.05 1jmh n PRO 45 Ca 0.11 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.18 1jmh n PRO 45 Cb 0.45 -1.26 -0.05 0.00 -0.02 0.00 0.00 33.50 32.63 1jmh n PRO 45 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jmh s LEU 46 N 0.00 4.10 0.22 2.45 2.96 -1.26 -4.65 118.68 122.50 1jmh s LEU 46 Ca 0.00 0.96 -0.32 0.00 -0.22 0.00 0.00 54.13 54.55 1jmh s LEU 46 Cb 0.00 -3.08 -0.14 0.00 0.50 0.00 0.00 46.19 43.48 1jmh s LEU 46 CO 0.00 -0.43 1.42 0.18 -1.32 0.00 0.00 176.35 176.21 1jmh n LEU 47 N 5.66 2.98 0.04 -0.68 4.77 -1.26 -4.73 117.00 123.78 1jmh n LEU 47 Ca 0.03 1.13 0.10 0.00 -0.03 0.00 0.00 56.01 57.24 1jmh n LEU 47 Cb 0.48 -1.41 -0.09 0.00 -2.33 0.00 0.00 43.42 40.07 1jmh n LEU 47 CO 0.46 -0.51 -0.39 0.35 -1.33 0.00 0.00 177.39 175.97 1jmh n THR 48 N 2.17 0.36 1.53 -5.08 -2.24 -1.26 -4.28 114.28 105.48 1jmh n THR 48 Ca 0.13 -0.54 0.07 0.00 -2.27 0.00 0.00 64.05 61.44 1jmh n THR 48 Cb 0.30 -0.19 0.43 0.00 -2.10 0.00 0.00 70.33 68.77 1jmh n THR 48 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jmh n THR 49 N -2.49 0.00 -3.65 4.28 -2.24 -1.26 -0.89 114.28 108.03 1jmh n THR 49 Ca -0.03 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.76 1jmh n THR 49 Cb 0.58 -0.41 -0.06 0.00 -2.10 0.00 0.00 70.33 68.34 1jmh n THR 49 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1jmh s LYS 50 N -2.00 0.16 -0.13 -0.78 2.20 -1.26 -4.70 119.74 113.23 1jmh s LYS 50 Ca 0.22 0.26 -0.29 0.00 -0.36 0.00 0.00 55.97 55.80 1jmh s LYS 50 Cb 0.10 0.03 -0.06 0.00 -1.51 0.00 0.00 37.83 36.39 1jmh s LYS 50 CO 0.17 -0.03 1.96 0.21 -0.36 0.00 0.00 175.35 177.29 1jmh s LYS 51 N 1.09 3.68 -0.23 4.03 2.20 -1.10 -4.75 119.74 124.66 1jmh s LYS 51 Ca -0.08 2.14 -0.04 0.00 -0.36 0.00 0.00 55.97 57.63 1jmh s LYS 51 Cb -0.03 -4.20 -0.01 0.00 -1.51 0.00 0.00 37.83 32.08 1jmh s LYS 51 CO -0.11 -1.47 -0.02 0.08 -0.36 0.00 0.00 175.35 173.46 1jmh s VAL 52 N 6.06 3.47 -0.69 4.02 1.01 -1.26 -4.72 120.40 128.29 1jmh s VAL 52 Ca 0.88 -0.51 -0.26 0.00 0.00 0.00 0.00 61.98 62.09 1jmh s VAL 52 Cb -0.34 -2.61 -0.09 0.00 0.00 0.00 0.00 36.38 33.33 1jmh s VAL 52 CO 0.36 0.37 2.29 -2.16 0.00 0.00 0.00 175.10 175.96 1jmh s PRO 53 N 1.48 2.00 0.45 2.72 0.04 -1.26 -4.81 135.00 135.62 1jmh s PRO 53 Ca 0.05 0.68 0.12 0.00 0.04 0.00 0.00 61.00 61.89 1jmh s PRO 53 Cb -0.15 -4.72 1.04 0.00 0.04 0.00 0.00 34.50 30.71 1jmh s PRO 53 CO -0.02 -3.75 2.06 0.35 0.04 0.00 0.00 177.00 175.67 1jmh h PHE 54 N 14.93 0.33 -1.00 0.56 3.57 -2.00 -2.27 116.94 131.06 1jmh h PHE 54 Ca -0.09 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.51 1jmh h PHE 54 Cb 1.10 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.66 1jmh h PHE 54 CO 1.09 0.19 0.64 0.78 -2.23 0.00 0.00 178.31 178.78 1jmh h GLY 55 N 0.34 1.57 2.00 2.40 0.00 -2.00 0.48 103.07 107.87 1jmh h GLY 55 Ca 0.15 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 1jmh h GLY 55 CO -0.03 0.26 -0.34 1.41 0.00 0.00 0.00 176.54 177.84 1jmh h LEU 56 N 1.10 0.00 0.11 3.11 3.38 -1.81 -1.78 115.31 119.42 1jmh h LEU 56 Ca 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.42 1jmh h LEU 56 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1jmh h LEU 56 CO -0.21 0.34 -0.05 0.40 0.09 0.00 0.00 178.44 179.00 1jmh h ILE 57 N 0.00 1.00 0.32 1.22 2.04 -0.97 -2.85 117.51 118.27 1jmh h ILE 57 Ca -0.00 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.54 1jmh h ILE 57 Cb 0.70 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 1jmh h ILE 57 CO 0.04 0.27 -0.28 0.11 0.00 0.00 0.00 178.15 178.29 1jmh h LYS 58 N -0.85 -0.57 -0.84 2.37 1.57 -1.06 -0.91 116.57 116.28 1jmh h LYS 58 Ca -0.02 0.04 0.20 0.00 -1.87 0.00 0.00 60.65 59.00 1jmh h LYS 58 Cb 0.56 0.13 -0.15 0.00 0.08 0.00 0.00 32.23 32.85 1jmh h LYS 58 CO 0.02 -0.38 -0.04 0.66 -0.57 0.00 0.00 179.45 179.15 1jmh h SER 59 N -0.59 -0.48 -0.25 0.86 4.64 -1.47 -0.55 113.55 115.71 1jmh h SER 59 Ca -0.04 0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.47 1jmh h SER 59 Cb 0.51 0.42 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1jmh h SER 59 CO -0.01 -0.24 0.02 -0.08 -0.87 0.00 0.00 176.83 175.64 1jmh h GLU 60 N 0.06 0.42 -0.36 4.77 4.81 -1.37 -1.97 114.58 120.94 1jmh h GLU 60 Ca 0.46 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.57 1jmh h GLU 60 Cb 0.82 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 1jmh h GLU 60 CO -0.77 0.58 0.23 1.25 -0.73 0.00 0.00 179.01 179.56 1jmh h LEU 61 N 0.21 0.39 -0.63 1.64 5.85 -0.00 -1.89 115.31 120.87 1jmh h LEU 61 Ca 0.07 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1jmh h LEU 61 Cb 0.38 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1jmh h LEU 61 CO 0.01 0.28 0.37 -0.07 -0.34 0.00 0.00 178.44 178.69 1jmh h LEU 62 N 0.47 0.59 -0.57 2.25 3.38 -1.10 0.10 115.31 120.43 1jmh h LEU 62 Ca 0.14 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.24 1jmh h LEU 62 Cb -0.03 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 40.51 1jmh h LEU 62 CO -0.05 0.40 -0.04 -0.25 0.09 0.00 0.00 178.44 178.59 1jmh h TRP 63 N 0.72 -0.12 -0.37 1.13 7.01 -0.77 -1.00 115.95 122.55 1jmh h TRP 63 Ca 0.27 0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.32 1jmh h TRP 63 Cb 0.08 0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.26 1jmh h TRP 63 CO -0.06 -0.18 0.22 0.74 -2.79 0.00 0.00 178.44 176.37 1jmh h PHE 64 N 0.08 0.42 -0.32 2.65 0.04 -0.25 -2.65 116.94 116.90 1jmh h PHE 64 Ca 0.29 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.07 1jmh h PHE 64 Cb 0.45 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 1jmh h PHE 64 CO -0.38 0.25 0.21 -0.07 -0.60 0.00 0.00 178.31 177.72 1jmh h LEU 65 N 0.45 0.36 0.00 1.54 3.38 -0.03 0.08 115.31 121.11 1jmh h LEU 65 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1jmh h LEU 65 Cb -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1jmh h LEU 65 CO -0.06 0.26 0.00 1.41 0.09 0.00 0.00 178.44 180.15 1jmh n HIS 66 N -4.49 0.00 -1.54 1.13 8.25 -0.61 -4.86 115.22 113.10 1jmh n HIS 66 Ca 0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.39 1jmh n HIS 66 Cb 0.07 -0.47 -0.03 0.00 1.12 0.00 0.00 29.99 30.68 1jmh n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jmh n GLY 67 N 0.89 0.72 3.82 -1.41 0.00 0.02 -4.99 105.19 104.23 1jmh n GLY 67 Ca 0.06 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 1jmh n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jmh s ASP 68 N -2.81 5.87 0.00 1.61 -1.08 -1.02 -4.25 116.67 114.98 1jmh s ASP 68 Ca 0.00 1.72 0.00 0.00 -0.52 0.00 0.00 52.55 53.75 1jmh s ASP 68 Cb 0.00 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 1jmh s ASP 68 CO 0.00 -1.11 0.38 0.35 0.52 0.00 0.00 175.17 175.32 1jmh n THR 69 N -2.19 0.00 -3.91 1.71 -2.24 -1.26 -4.18 114.28 102.20 1jmh n THR 69 Ca 0.08 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.51 1jmh n THR 69 Cb 0.53 0.73 -0.13 0.00 -2.10 0.00 0.00 70.33 69.36 1jmh n THR 69 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jmh s ASN 70 N -0.02 4.67 0.38 3.42 3.84 -1.26 -0.79 114.94 125.18 1jmh s ASN 70 Ca 0.00 -0.29 0.21 0.00 0.21 0.00 0.00 52.86 52.99 1jmh s ASN 70 Cb 0.00 -1.81 1.30 0.00 -0.55 0.00 0.00 41.25 40.18 1jmh s ASN 70 CO 0.00 -0.00 1.61 0.40 -2.79 0.00 0.00 177.10 176.32 1jmh h ILE 71 N 5.58 0.10 -0.92 -5.21 1.08 -0.68 -2.81 117.51 114.65 1jmh h ILE 71 Ca -0.39 -0.04 0.28 0.00 -0.39 0.00 0.00 64.86 64.32 1jmh h ILE 71 Cb 1.17 -0.01 -0.17 0.00 -3.07 0.00 0.00 36.82 34.74 1jmh h ILE 71 CO 0.60 0.02 0.11 -1.14 -0.69 0.00 0.00 178.15 177.04 1jmh n ARG 72 N -5.08 -0.07 -0.23 2.37 0.63 -1.26 0.62 116.66 113.63 1jmh n ARG 72 Ca 0.36 1.36 -0.03 0.00 -0.92 0.00 0.00 57.85 58.62 1jmh n ARG 72 Cb 1.24 -2.21 0.07 0.00 0.45 0.00 0.00 32.46 32.01 1jmh n ARG 72 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 1jmh h PHE 73 N 0.00 0.75 0.51 -0.14 3.57 -1.90 -0.32 116.94 119.41 1jmh h PHE 73 Ca 0.60 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 62.10 1jmh h PHE 73 Cb 1.32 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1jmh h PHE 73 CO -0.39 0.42 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.80 1jmh h LEU 74 N 0.78 -0.58 -1.51 0.59 3.38 -0.02 -2.68 115.31 115.27 1jmh h LEU 74 Ca 0.27 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.30 1jmh h LEU 74 Cb 0.05 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1jmh h LEU 74 CO -0.12 -0.30 0.46 -0.07 0.09 0.00 0.00 178.44 178.50 1jmh h LEU 75 N -0.84 0.49 -2.16 1.67 3.38 -1.26 0.33 115.31 116.91 1jmh h LEU 75 Ca -0.07 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1jmh h LEU 75 Cb 0.59 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1jmh h LEU 75 CO 0.11 0.29 -0.05 1.56 0.09 0.00 0.00 178.44 180.44 1jmh h GLN 76 N 0.54 0.00 -0.34 1.13 4.20 -0.80 -1.40 115.11 118.44 1jmh h GLN 76 Ca 0.32 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 1jmh h GLN 76 Cb 0.53 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 1jmh h GLN 76 CO -0.11 0.05 0.00 0.72 -0.67 0.00 0.00 178.83 178.83 1jmh n HIS 77 N -3.97 1.23 -2.80 2.96 8.25 0.80 -4.94 115.22 116.74 1jmh n HIS 77 Ca -0.03 -0.86 -0.18 0.00 -0.26 0.00 0.00 57.72 56.39 1jmh n HIS 77 Cb 0.14 -0.37 0.02 0.00 1.12 0.00 0.00 29.99 30.90 1jmh n HIS 77 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1jmh n ARG 78 N -0.26 -3.67 -3.85 -0.41 1.74 -0.53 -4.99 116.66 104.69 1jmh n ARG 78 Ca 0.23 0.77 -0.36 0.00 -0.77 0.00 0.00 57.85 57.73 1jmh n ARG 78 Cb 0.97 -5.30 -0.13 0.00 -1.02 0.00 0.00 32.46 26.98 1jmh n ARG 78 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1jmh s ASN 79 N -2.68 4.61 0.00 0.55 3.84 0.80 -4.96 114.94 117.11 1jmh s ASN 79 Ca 0.21 -0.43 0.11 0.00 0.21 0.00 0.00 52.86 52.96 1jmh s ASN 79 Cb -0.09 -1.80 0.26 0.00 -0.55 0.00 0.00 41.25 39.07 1jmh s ASN 79 CO 0.26 -0.06 1.17 1.41 -2.79 0.00 0.00 177.10 177.09 1jmh n HIS 80 N 4.83 0.36 -0.10 0.43 8.25 -1.26 -3.16 115.22 124.56 1jmh n HIS 80 Ca -0.17 -0.40 0.27 0.00 -0.26 0.00 0.00 57.72 57.16 1jmh n HIS 80 Cb 0.50 -0.02 0.67 0.00 1.12 0.00 0.00 29.99 32.26 1jmh n HIS 80 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1jmh h ILE 81 N 2.02 0.26 -0.00 1.59 1.08 -1.97 -2.20 117.51 118.30 1jmh h ILE 81 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1jmh h ILE 81 Cb 0.67 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 1jmh h ILE 81 CO 0.00 0.00 -0.18 0.79 -0.69 0.00 0.00 178.15 178.07 1jmh n TRP 82 N -3.69 0.00 -0.31 1.37 7.02 -1.26 -4.84 117.44 115.74 1jmh n TRP 82 Ca 0.17 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.57 1jmh n TRP 82 Cb 1.05 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.86 1jmh n TRP 82 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1jmh n ASP 83 N -0.49 -0.78 -0.34 -0.99 9.92 -0.83 -1.46 116.55 121.58 1jmh n ASP 83 Ca 0.03 1.49 0.31 0.00 -0.53 0.00 0.00 54.79 56.08 1jmh n ASP 83 Cb 0.14 -0.26 0.65 0.00 -0.64 0.00 0.00 41.12 41.01 1jmh n ASP 83 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1jmh h GLU 84 N 0.00 0.16 -0.37 -1.24 5.08 -1.88 0.29 114.58 116.61 1jmh h GLU 84 Ca 0.12 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 1jmh h GLU 84 Cb 0.30 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1jmh h GLU 84 CO -0.69 0.10 -0.31 -1.49 -1.00 0.00 0.00 179.01 175.62 1jmh h TRP 85 N 0.16 0.93 0.20 4.33 4.06 -1.62 -1.53 115.95 122.48 1jmh h TRP 85 Ca 0.61 -0.25 -0.27 0.00 2.06 0.00 0.00 58.89 61.04 1jmh h TRP 85 Cb 2.03 -0.21 0.03 0.00 -1.00 0.00 0.00 29.16 30.01 1jmh h TRP 85 CO -0.00 1.01 -1.21 0.00 -3.56 0.00 0.00 178.44 174.67 1jmh h ALA 86 N 0.97 -0.11 -0.58 1.49 0.00 -0.98 -3.34 119.26 116.72 1jmh h ALA 86 Ca 0.08 -0.81 0.09 0.00 0.00 0.00 0.00 54.91 54.26 1jmh h ALA 86 Cb 0.85 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 1jmh h ALA 86 CO 0.07 0.58 0.20 0.35 0.00 0.00 0.00 179.25 180.45 1jmh h PHE 87 N -0.09 0.35 -0.82 0.00 3.57 -0.49 -1.83 116.94 117.63 1jmh h PHE 87 Ca -0.22 0.03 0.18 0.00 3.53 0.00 0.00 57.97 61.49 1jmh h PHE 87 Cb 1.93 -0.07 -0.11 0.00 2.79 0.00 0.00 35.95 40.49 1jmh h PHE 87 CO 0.16 0.09 0.32 1.49 -2.23 0.00 0.00 178.31 178.13 1jmh h GLU 88 N 0.38 0.39 -0.55 1.11 4.81 -1.39 0.26 114.58 119.59 1jmh h GLU 88 Ca 0.29 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1jmh h GLU 88 Cb 0.36 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1jmh h GLU 88 CO -0.30 0.26 0.33 0.87 -0.73 0.00 0.00 179.01 179.44 1jmh h LYS 89 N 0.40 0.73 0.24 1.92 1.57 -1.47 -0.30 116.57 119.67 1jmh h LYS 89 Ca 0.47 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.18 1jmh h LYS 89 Cb 0.81 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1jmh h LYS 89 CO -0.47 0.51 -0.12 2.35 -0.57 0.00 0.00 179.45 181.16 1jmh h TRP 90 N 0.75 -0.30 0.00 -1.35 -0.00 -0.40 0.04 115.95 114.70 1jmh h TRP 90 Ca 0.20 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.89 59.03 1jmh h TRP 90 Cb -0.03 0.10 -0.01 0.00 -0.00 0.00 0.00 29.16 29.22 1jmh h TRP 90 CO 0.00 -0.05 -0.22 -0.39 -0.00 0.00 0.00 178.44 177.77 1jmh h VAL 91 N -0.51 0.80 -0.00 2.65 -1.51 -1.00 -1.13 116.25 115.55 1jmh h VAL 91 Ca -0.03 -0.90 0.00 0.00 -1.23 0.00 0.00 66.70 64.54 1jmh h VAL 91 Cb 0.38 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 1jmh h VAL 91 CO 0.05 0.22 -0.22 0.29 -1.23 0.00 0.00 177.57 176.68 1jmh n LYS 92 N -3.74 0.43 -1.94 5.19 4.76 -0.16 -4.86 118.16 117.84 1jmh n LYS 92 Ca -0.01 -0.19 -0.40 0.00 -2.87 0.00 0.00 58.31 54.84 1jmh n LYS 92 Cb 0.33 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 1jmh n LYS 92 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1jmh s SER 93 N -2.70 6.13 0.04 4.39 0.15 -0.01 -4.87 113.70 116.83 1jmh s SER 93 Ca 0.21 2.78 0.21 0.00 0.70 0.00 0.00 55.95 59.85 1jmh s SER 93 Cb 0.19 -2.65 0.87 0.00 -1.71 0.00 0.00 66.02 62.73 1jmh s SER 93 CO 0.55 -0.98 1.66 0.47 1.20 0.00 0.00 173.24 176.14 1jmh n ASP 94 N 0.01 0.12 0.01 5.45 9.92 -1.26 -2.20 116.55 128.60 1jmh n ASP 94 Ca 0.04 0.52 0.11 0.00 -0.53 0.00 0.00 54.79 54.93 1jmh n ASP 94 Cb 0.43 -0.55 -0.00 0.00 -0.64 0.00 0.00 41.12 40.35 1jmh n ASP 94 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1jmh n GLU 95 N -1.62 0.20 -2.26 -1.24 2.13 -1.26 -4.93 120.64 111.65 1jmh n GLU 95 Ca 0.05 -0.02 -0.42 0.00 0.66 0.00 0.00 57.16 57.43 1jmh n GLU 95 Cb 0.25 -1.55 -0.03 0.00 0.27 0.00 0.00 31.44 30.38 1jmh n GLU 95 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1jmh s TYR 96 N -3.14 2.95 -0.29 4.31 5.04 -0.94 -4.99 117.35 120.30 1jmh s TYR 96 Ca 0.05 0.90 -0.02 0.00 -2.44 0.00 0.00 57.07 55.56 1jmh s TYR 96 Cb 0.15 -3.62 0.10 0.00 0.35 0.00 0.00 41.96 38.94 1jmh s TYR 96 CO 0.82 -2.24 0.10 -1.01 -1.34 0.00 0.00 175.55 171.88 1jmh s HIS 97 N 2.21 1.10 -0.16 4.97 3.76 -1.26 -4.98 115.29 120.92 1jmh s HIS 97 Ca 0.63 -1.31 0.00 0.00 -0.15 0.00 0.00 55.06 54.23 1jmh s HIS 97 Cb -0.31 -1.33 0.00 0.00 1.11 0.00 0.00 32.58 32.05 1jmh s HIS 97 CO 0.26 -0.83 0.00 0.41 -0.85 0.00 0.00 174.74 173.74 1jmh n GLY 98 N 5.02 -0.58 3.51 -2.22 0.00 -1.26 -5.17 105.19 104.50 1jmh n GLY 98 Ca -0.04 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 1jmh n GLY 98 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jmh n PRO 99 N 0.00 -0.16 -0.23 1.61 -0.02 -1.26 -4.95 135.00 129.99 1jmh n PRO 99 Ca 0.00 0.01 -0.06 0.00 -2.02 0.00 0.00 63.50 61.43 1jmh n PRO 99 Cb 0.00 -2.03 -0.06 0.00 -0.02 0.00 0.00 33.50 31.40 1jmh n PRO 99 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1jmh n ASP 100 N -1.95 -0.59 -0.45 2.55 2.03 -1.26 -4.83 116.55 112.05 1jmh n ASP 100 Ca 0.09 1.41 -0.05 0.00 0.52 0.00 0.00 54.79 56.77 1jmh n ASP 100 Cb 0.52 -0.34 -0.02 0.00 -0.72 0.00 0.00 41.12 40.56 1jmh n ASP 100 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1jmh n MET 101 N -4.25 -1.79 -2.66 -0.67 2.81 -1.26 -4.92 117.12 104.37 1jmh n MET 101 Ca 0.01 0.52 -0.38 0.00 -1.81 0.00 0.00 57.70 56.04 1jmh n MET 101 Cb 0.14 -4.55 -0.05 0.00 -0.71 0.00 0.00 33.22 28.05 1jmh n MET 101 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1jmh s THR 102 N -1.20 3.93 -1.26 2.03 2.01 -1.26 -3.52 115.64 116.37 1jmh s THR 102 Ca 0.00 1.72 -0.10 0.00 0.31 0.00 0.00 61.69 63.62 1jmh s THR 102 Cb 0.00 -4.00 0.08 0.00 0.01 0.00 0.00 72.50 68.58 1jmh s THR 102 CO 0.00 0.24 0.47 -0.67 -0.69 0.00 0.00 174.62 173.97 1jmh n ASP 103 N 0.76 -3.51 -3.24 3.53 2.03 -1.26 -4.87 116.55 109.99 1jmh n ASP 103 Ca 0.01 -0.39 -0.28 0.00 0.52 0.00 0.00 54.79 54.65 1jmh n ASP 103 Cb 0.48 -2.92 0.27 0.00 -0.72 0.00 0.00 41.12 38.23 1jmh n ASP 103 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1jmh n PHE 104 N -3.88 -3.71 0.00 -0.67 -1.74 -1.23 -2.45 117.46 103.78 1jmh n PHE 104 Ca -0.01 -0.79 0.00 0.00 -0.56 0.00 0.00 57.45 56.09 1jmh n PHE 104 Cb 0.54 -1.15 0.00 0.00 1.52 0.00 0.00 39.48 40.38 1jmh n PHE 104 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1jmh n GLY 105 N -5.25 2.00 0.44 4.97 0.00 -1.26 -4.23 105.19 101.87 1jmh n GLY 105 Ca 0.13 0.03 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 1jmh n GLY 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1jmh h HIS 106 N 0.00 -1.34 0.00 1.61 3.86 -1.85 0.20 115.15 117.62 1jmh h HIS 106 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1jmh h HIS 106 Cb 0.00 0.55 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1jmh h HIS 106 CO 0.00 -0.57 0.00 2.89 0.86 0.00 0.00 177.93 181.11 1jmh n ARG 107 N -5.19 0.18 0.22 2.45 1.85 -1.02 -2.33 116.66 112.82 1jmh n ARG 107 Ca -0.09 0.24 0.12 0.00 -1.00 0.00 0.00 57.85 57.11 1jmh n ARG 107 Cb 0.39 -1.75 0.23 0.00 -1.05 0.00 0.00 32.46 30.29 1jmh n ARG 107 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1jmh h SER 108 N 0.00 0.00 -0.42 2.89 0.02 -1.52 -2.18 113.55 112.34 1jmh h SER 108 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jmh h SER 108 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1jmh h SER 108 CO 0.00 0.04 0.00 0.00 -1.14 0.00 0.00 176.83 175.73 1jmh n GLN 109 N -3.11 2.36 0.00 3.45 6.02 0.58 -4.52 117.38 122.16 1jmh n GLN 109 Ca 0.03 -1.66 0.00 0.00 -0.01 0.00 0.00 57.00 55.36 1jmh n GLN 109 Cb 0.51 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.27 1jmh n GLN 109 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1jmh n LYS 110 N 0.68 0.00 -1.76 -1.09 4.76 -1.07 -5.05 118.16 114.64 1jmh n LYS 110 Ca 0.15 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.17 1jmh n LYS 110 Cb 0.49 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.65 1jmh n LYS 110 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1jmh s ASP 111 N 1.00 6.26 0.28 4.39 -1.08 -0.84 -4.89 116.67 121.78 1jmh s ASP 111 Ca 0.00 2.31 0.05 0.00 -0.52 0.00 0.00 52.55 54.39 1jmh s ASP 111 Cb 0.00 -2.53 0.40 0.00 -1.46 0.00 0.00 42.92 39.34 1jmh s ASP 111 CO 0.00 -1.26 1.67 1.55 0.52 0.00 0.00 175.17 177.65 1jmh h PRO 112 N 11.43 0.28 -0.05 4.34 0.13 -1.88 -1.06 132.00 145.18 1jmh h PRO 112 Ca -0.44 -0.14 -0.06 0.00 -0.87 0.00 0.00 66.00 64.49 1jmh h PRO 112 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1jmh h PRO 112 CO 0.95 0.66 -0.22 1.49 -0.23 0.00 0.00 178.00 180.66 1jmh h GLU 113 N 0.23 0.24 -0.60 0.86 4.22 -1.97 -2.70 114.58 114.86 1jmh h GLU 113 Ca 0.02 -0.19 0.06 0.00 0.08 0.00 0.00 59.36 59.33 1jmh h GLU 113 Cb 0.86 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 1jmh h GLU 113 CO 0.07 0.83 0.30 0.35 -2.18 0.00 0.00 179.01 178.38 1jmh h PHE 114 N -0.30 0.55 -0.90 0.92 3.04 -1.90 0.83 116.94 119.19 1jmh h PHE 114 Ca -0.01 0.02 0.15 0.00 3.98 0.00 0.00 57.97 62.11 1jmh h PHE 114 Cb 0.87 -0.16 -0.07 0.00 2.56 0.00 0.00 35.95 39.15 1jmh h PHE 114 CO 0.14 0.25 0.58 0.00 -2.02 0.00 0.00 178.31 177.25 1jmh h ALA 115 N 1.33 1.85 -0.05 2.41 0.00 -1.15 0.45 119.26 124.10 1jmh h ALA 115 Ca 0.27 0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.95 1jmh h ALA 115 Cb 0.20 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.89 1jmh h ALA 115 CO -0.19 -0.10 -0.96 0.00 0.00 0.00 0.00 179.25 178.00 1jmh h ALA 116 N 1.60 0.19 -0.14 0.00 0.00 -0.59 -1.74 119.26 118.58 1jmh h ALA 116 Ca 0.46 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1jmh h ALA 116 Cb 0.76 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1jmh h ALA 116 CO -0.21 0.69 0.05 0.28 0.00 0.00 0.00 179.25 180.05 1jmh h VAL 117 N 0.44 1.17 -0.82 0.00 2.07 0.34 -1.20 116.25 118.26 1jmh h VAL 117 Ca -0.10 -0.52 0.06 0.00 0.82 0.00 0.00 66.70 66.96 1jmh h VAL 117 Cb 1.60 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 32.57 1jmh h VAL 117 CO 0.19 0.16 0.50 0.22 0.02 0.00 0.00 177.57 178.66 1jmh h TYR 118 N 0.05 0.93 -0.36 1.57 3.20 -0.21 -1.08 116.97 121.07 1jmh h TYR 118 Ca 0.05 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.77 1jmh h TYR 118 Cb 0.20 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 1jmh h TYR 118 CO -0.01 0.47 -0.43 0.45 -1.64 0.00 0.00 178.16 177.00 1jmh h HIS 119 N 0.92 1.13 -0.37 -3.82 3.86 -1.08 -1.57 115.15 114.22 1jmh h HIS 119 Ca 0.36 -0.36 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1jmh h HIS 119 Cb 0.18 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 1jmh h HIS 119 CO -0.04 1.19 0.23 1.49 0.86 0.00 0.00 177.93 181.66 1jmh h GLU 120 N 0.74 0.49 0.46 2.45 4.57 -0.77 -2.02 114.58 120.50 1jmh h GLU 120 Ca 0.05 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1jmh h GLU 120 Cb 1.03 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 1jmh h GLU 120 CO 0.10 0.35 -0.38 1.49 -1.18 0.00 0.00 179.01 179.40 1jmh h GLU 121 N 0.49 -0.79 -1.03 1.92 4.57 -1.13 -2.53 114.58 116.07 1jmh h GLU 121 Ca 0.13 0.05 0.30 0.00 -1.18 0.00 0.00 59.36 58.67 1jmh h GLU 121 Cb -0.02 0.18 -0.13 0.00 -0.16 0.00 0.00 28.75 28.61 1jmh h GLU 121 CO -0.03 -0.53 0.61 1.98 -1.18 0.00 0.00 179.01 179.87 1jmh h MET 122 N -0.82 0.37 -0.67 1.92 4.05 -1.21 0.29 114.93 118.85 1jmh h MET 122 Ca -0.06 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.31 1jmh h MET 122 Cb 0.69 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.37 1jmh h MET 122 CO 0.00 0.25 0.33 0.00 0.23 0.00 0.00 176.91 177.72 1jmh h ALA 123 N 1.77 0.87 -0.32 0.39 0.00 -0.96 0.34 119.26 121.35 1jmh h ALA 123 Ca 0.70 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.38 1jmh h ALA 123 Cb 1.60 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1jmh h ALA 123 CO -0.52 0.42 -0.19 0.87 0.00 0.00 0.00 179.25 179.83 1jmh h LYS 124 N 0.93 0.60 -0.20 0.00 1.57 -0.13 -1.59 116.57 117.75 1jmh h LYS 124 Ca 0.23 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1jmh h LYS 124 Cb 0.10 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1jmh h LYS 124 CO -0.03 0.75 0.01 0.35 -0.57 0.00 0.00 179.45 179.97 1jmh h PHE 125 N 0.53 0.38 -0.38 -1.35 3.57 -0.51 -1.72 116.94 117.47 1jmh h PHE 125 Ca 0.09 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1jmh h PHE 125 Cb 0.63 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1jmh h PHE 125 CO 0.02 0.52 0.13 -0.44 -2.23 0.00 0.00 178.31 176.32 1jmh h ASP 126 N 0.13 0.48 -0.28 0.41 3.32 -0.77 -1.88 116.42 117.83 1jmh h ASP 126 Ca 0.06 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 1jmh h ASP 126 Cb 0.36 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1jmh h ASP 126 CO 0.01 0.46 -0.08 -0.78 -1.72 0.00 0.00 179.24 177.12 1jmh h ASP 127 N 0.53 0.55 0.48 6.45 3.58 -1.05 -2.77 116.42 124.20 1jmh h ASP 127 Ca 0.13 -0.38 -0.02 0.00 0.42 0.00 0.00 57.03 57.19 1jmh h ASP 127 Cb 0.14 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 1jmh h ASP 127 CO -0.01 0.80 -0.32 0.03 -2.88 0.00 0.00 179.24 176.85 1jmh h ARG 128 N 0.29 -0.75 -0.48 0.28 2.47 -0.96 -2.15 114.38 113.09 1jmh h ARG 128 Ca 0.07 0.05 0.14 0.00 -1.26 0.00 0.00 59.98 58.98 1jmh h ARG 128 Cb 0.57 0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 29.04 1jmh h ARG 128 CO 0.03 -0.50 0.48 0.28 0.56 0.00 0.00 179.97 180.82 1jmh h VAL 129 N -0.78 0.40 0.00 2.04 2.07 -1.38 0.47 116.25 119.07 1jmh h VAL 129 Ca -0.05 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.26 1jmh h VAL 129 Cb 0.65 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1jmh h VAL 129 CO 0.03 0.00 -1.20 -0.07 0.02 0.00 0.00 177.57 176.35 1jmh h LEU 130 N 0.00 0.00 0.00 2.57 3.38 -1.13 -3.42 115.31 116.71 1jmh h LEU 130 Ca 0.23 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 1jmh h LEU 130 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1jmh h LEU 130 CO -0.00 0.83 -1.51 1.41 0.09 0.00 0.00 178.44 179.25 1jmh n HIS 131 N -3.14 0.00 -2.73 1.13 8.25 -0.13 -4.93 115.22 113.66 1jmh n HIS 131 Ca -0.07 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.97 1jmh n HIS 131 Cb 0.92 -0.35 -0.03 0.00 1.12 0.00 0.00 29.99 31.65 1jmh n HIS 131 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1jmh s ASP 132 N -4.87 6.31 0.24 0.41 -1.08 0.15 -4.92 116.67 112.91 1jmh s ASP 132 Ca -0.12 -0.34 -0.07 0.00 -0.52 0.00 0.00 52.55 51.50 1jmh s ASP 132 Cb 0.03 -2.48 0.27 0.00 -1.46 0.00 0.00 42.92 39.27 1jmh s ASP 132 CO 0.21 -1.42 1.89 0.44 0.52 0.00 0.00 175.17 176.81 1jmh h ASP 133 N 9.52 0.98 -0.18 -0.34 3.32 -1.89 0.46 116.42 128.29 1jmh h ASP 133 Ca -0.27 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.74 1jmh h ASP 133 Cb 1.06 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 1jmh h ASP 133 CO 1.16 0.68 -0.02 0.00 -1.72 0.00 0.00 179.24 179.34 1jmh h ALA 134 N 1.36 0.24 0.15 3.45 0.00 -1.96 -1.43 119.26 121.07 1jmh h ALA 134 Ca 0.35 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jmh h ALA 134 Cb -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1jmh h ALA 134 CO -0.11 -0.03 -0.15 0.35 0.00 0.00 0.00 179.25 179.32 1jmh h PHE 135 N 0.06 -0.38 -0.25 0.00 3.57 -1.82 -0.99 116.94 117.14 1jmh h PHE 135 Ca 0.05 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.60 1jmh h PHE 135 Cb 0.42 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 1jmh h PHE 135 CO 0.04 -0.22 -0.07 0.00 -2.23 0.00 0.00 178.31 175.83 1jmh h ALA 136 N 0.49 0.16 -0.32 2.41 0.00 -0.94 0.24 119.26 121.30 1jmh h ALA 136 Ca 0.00 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1jmh h ALA 136 Cb 0.31 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1jmh h ALA 136 CO -0.04 -0.48 0.27 0.00 0.00 0.00 0.00 179.25 179.01 1jmh h ALA 137 N 1.24 2.15 0.00 0.00 0.00 -0.84 0.45 119.26 122.25 1jmh h ALA 137 Ca 0.12 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 1jmh h ALA 137 Cb 0.19 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1jmh h ALA 137 CO -0.26 -0.44 -1.12 -0.22 0.00 0.00 0.00 179.25 177.21 1jmh h LYS 138 N 0.00 0.00 0.00 0.00 3.64 0.43 -3.40 116.57 117.24 1jmh h LYS 138 Ca 0.15 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1jmh h LYS 138 Cb 0.70 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1jmh h LYS 138 CO -0.00 0.84 -1.59 0.66 -2.27 0.00 0.00 179.45 177.08 1jmh n TYR 139 N -4.47 0.00 0.73 1.91 4.01 0.63 -4.47 117.16 115.50 1jmh n TYR 139 Ca -0.28 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.59 1jmh n TYR 139 Cb 0.61 -0.30 0.49 0.00 -0.31 0.00 0.00 39.34 39.82 1jmh n TYR 139 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jmh n GLY 140 N 1.78 -1.52 3.45 2.72 0.00 0.16 -4.62 105.19 107.16 1jmh n GLY 140 Ca -0.03 -0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 1jmh n GLY 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jmh s ASP 141 N -3.80 6.20 0.24 1.61 2.15 -1.07 0.14 116.67 122.13 1jmh s ASP 141 Ca 0.11 -0.91 -0.02 0.00 0.43 0.00 0.00 52.55 52.15 1jmh s ASP 141 Cb 0.14 -2.24 0.27 0.00 -0.30 0.00 0.00 42.92 40.79 1jmh s ASP 141 CO 0.52 -0.73 1.68 -0.07 -0.17 0.00 0.00 175.17 176.40 1jmh h LEU 142 N 9.27 0.70 0.00 -1.34 3.38 -1.22 -3.49 115.31 122.62 1jmh h LEU 142 Ca -0.27 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1jmh h LEU 142 Cb 1.10 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1jmh h LEU 142 CO 0.89 0.89 0.00 0.61 0.09 0.00 0.00 178.44 180.92 1jmh n GLY 143 N -0.35 1.32 2.75 0.83 0.00 -1.25 -4.75 105.19 103.74 1jmh n GLY 143 Ca 0.00 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1jmh n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jmh n LEU 144 N 0.00 6.92 -4.65 0.99 4.77 -1.26 -4.60 117.00 119.16 1jmh n LEU 144 Ca 0.00 -4.37 -0.27 0.00 -0.03 0.00 0.00 56.01 51.34 1jmh n LEU 144 Cb 0.00 -1.58 -0.10 0.00 -2.33 0.00 0.00 43.42 39.42 1jmh n LEU 144 CO 0.00 1.29 -0.25 0.54 -1.33 0.00 0.00 177.39 177.64 1jmh s VAL 145 N 1.92 2.15 0.34 4.08 0.11 -1.26 -4.99 120.40 122.75 1jmh s VAL 145 Ca 0.45 -1.91 0.13 0.00 -2.93 0.00 0.00 61.98 57.72 1jmh s VAL 145 Cb 0.13 -2.97 0.37 0.00 -1.53 0.00 0.00 36.38 32.38 1jmh s VAL 145 CO -0.05 -0.02 1.53 -1.22 -3.33 0.00 0.00 175.10 172.00 1jmh n TYR 146 N -1.05 0.93 0.10 1.54 4.01 -1.26 -1.97 117.16 119.46 1jmh n TYR 146 Ca -0.04 1.16 -0.13 0.00 -0.16 0.00 0.00 57.90 58.73 1jmh n TYR 146 Cb 0.66 -1.42 -0.06 0.00 -0.31 0.00 0.00 39.34 38.21 1jmh n TYR 146 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1jmh h GLY 147 N 0.00 -0.65 2.00 2.72 0.00 -1.79 0.78 103.07 106.13 1jmh h GLY 147 Ca 0.73 0.42 -0.09 0.00 0.00 0.00 0.00 47.33 48.38 1jmh h GLY 147 CO -0.81 -0.25 -0.45 1.48 0.00 0.00 0.00 176.54 176.51 1jmh h SER 148 N -0.56 0.00 -0.40 0.19 4.64 -1.57 0.52 113.55 116.36 1jmh h SER 148 Ca 0.04 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.21 1jmh h SER 148 Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1jmh h SER 148 CO -0.23 0.45 -0.33 1.56 -0.87 0.00 0.00 176.83 177.42 1jmh h GLN 149 N 0.00 0.95 0.01 4.77 4.20 -0.85 1.02 115.11 125.22 1jmh h GLN 149 Ca -0.00 -0.46 -0.14 0.00 0.06 0.00 0.00 58.65 58.10 1jmh h GLN 149 Cb 0.92 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.71 1jmh h GLN 149 CO 0.06 1.13 -0.56 -1.49 -0.67 0.00 0.00 178.83 177.30 1jmh h TRP 150 N 0.79 0.53 -0.01 2.96 4.06 -0.73 -3.37 115.95 120.18 1jmh h TRP 150 Ca 0.08 -0.30 0.00 0.00 2.06 0.00 0.00 58.89 60.73 1jmh h TRP 150 Cb 0.91 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 29.02 1jmh h TRP 150 CO 0.06 1.13 -0.62 0.54 -3.56 0.00 0.00 178.44 175.99 1jmh n ARG 151 N -4.26 1.27 -2.80 0.49 5.12 0.16 -1.85 116.66 114.79 1jmh n ARG 151 Ca -0.11 -0.46 -0.10 0.00 -1.93 0.00 0.00 57.85 55.25 1jmh n ARG 151 Cb 0.66 -1.36 0.07 0.00 -1.16 0.00 0.00 32.46 30.66 1jmh n ARG 151 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jmh n ALA 152 N -0.73 1.12 -1.88 7.54 0.00 0.35 -3.90 120.51 123.01 1jmh n ALA 152 Ca 0.06 -2.08 -0.42 0.00 0.00 0.00 0.00 53.44 51.00 1jmh n ALA 152 Cb 0.34 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 1jmh n ALA 152 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1jmh s TRP 153 N -0.88 2.99 -0.25 0.00 -0.11 -0.36 -4.59 118.94 115.74 1jmh s TRP 153 Ca 0.26 0.83 -0.23 0.00 1.22 0.00 0.00 56.10 58.18 1jmh s TRP 153 Cb 0.37 -3.90 -0.01 0.00 -1.50 0.00 0.00 33.47 28.42 1jmh s TRP 153 CO -0.05 -3.12 0.75 -1.01 -4.62 0.00 0.00 176.95 168.89 1jmh s HIS 154 N 0.44 3.30 0.66 5.86 3.76 -1.26 0.38 115.29 128.43 1jmh s HIS 154 Ca 0.64 1.01 -0.11 0.00 -0.15 0.00 0.00 55.06 56.45 1jmh s HIS 154 Cb -0.44 -2.96 -0.01 0.00 1.11 0.00 0.00 32.58 30.28 1jmh s HIS 154 CO 0.39 -0.37 1.06 0.99 -0.85 0.00 0.00 174.74 175.96 1jmh s THR 155 N 2.70 4.17 0.04 1.30 2.01 0.57 -4.97 115.64 121.45 1jmh s THR 155 Ca 0.31 0.70 -0.25 0.00 0.31 0.00 0.00 61.69 62.77 1jmh s THR 155 Cb -0.15 -3.65 -0.17 0.00 0.01 0.00 0.00 72.50 68.53 1jmh s THR 155 CO 0.08 -0.92 1.49 0.28 -0.69 0.00 0.00 174.62 174.86 1jmh h SER 156 N -0.51 -0.11 0.00 3.53 0.02 -1.97 -3.14 113.55 111.37 1jmh h SER 156 Ca -0.44 -0.19 -0.38 0.00 -0.84 0.00 0.00 61.79 59.94 1jmh h SER 156 Cb 1.22 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 1jmh h SER 156 CO 0.62 0.13 1.62 1.17 -1.14 0.00 0.00 176.83 179.23 1jmh n LYS 157 N -5.04 2.51 -0.23 3.45 4.81 -1.26 -4.69 118.16 117.70 1jmh n LYS 157 Ca -0.08 -1.44 0.00 0.00 -0.87 0.00 0.00 58.31 55.92 1jmh n LYS 157 Cb 0.16 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 32.89 1jmh n LYS 157 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jmh n GLY 158 N 3.09 0.00 3.30 3.14 0.00 -1.18 -4.90 105.19 108.64 1jmh n GLY 158 Ca 0.54 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.28 1jmh n GLY 158 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jmh n ASP 159 N 0.00 -1.65 -3.91 1.61 8.00 -1.25 -4.77 116.55 114.57 1jmh n ASP 159 Ca 0.00 -1.18 -0.11 0.00 0.71 0.00 0.00 54.79 54.21 1jmh n ASP 159 Cb 0.00 -0.93 -0.13 0.00 -0.02 0.00 0.00 41.12 40.04 1jmh n ASP 159 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1jmh s THR 160 N -2.98 0.05 -0.08 -3.53 2.01 -1.26 -0.32 115.64 109.53 1jmh s THR 160 Ca 0.66 -0.34 0.04 0.00 0.31 0.00 0.00 61.69 62.36 1jmh s THR 160 Cb -0.06 -0.11 0.00 0.00 0.01 0.00 0.00 72.50 72.35 1jmh s THR 160 CO 0.50 -0.18 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.42 1jmh s ILE 161 N -0.54 1.70 -1.25 1.82 1.01 0.16 -4.87 121.20 119.23 1jmh s ILE 161 Ca -0.06 -0.82 -0.10 0.00 0.00 0.00 0.00 60.65 59.68 1jmh s ILE 161 Cb -0.04 -1.48 0.18 0.00 0.01 0.00 0.00 42.46 41.13 1jmh s ILE 161 CO -0.00 0.48 1.76 -0.67 0.00 0.00 0.00 174.94 176.50 1jmh n ASP 162 N 3.55 5.20 -0.39 3.58 2.03 -1.25 -1.22 116.55 128.05 1jmh n ASP 162 Ca -0.20 -3.10 -0.03 0.00 0.52 0.00 0.00 54.79 51.98 1jmh n ASP 162 Cb 0.52 -1.48 0.02 0.00 -0.72 0.00 0.00 41.12 39.46 1jmh n ASP 162 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jmh n GLN 163 N 4.03 -0.27 0.27 -0.67 6.02 -0.77 -1.13 117.38 124.86 1jmh n GLN 163 Ca 0.38 1.53 -0.15 0.00 -0.01 0.00 0.00 57.00 58.75 1jmh n GLN 163 Cb 0.37 -2.26 -0.08 0.00 1.02 0.00 0.00 30.24 29.29 1jmh n GLN 163 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1jmh h LEU 164 N 0.00 -0.57 -1.65 1.08 6.46 -1.75 -1.00 115.31 117.88 1jmh h LEU 164 Ca 0.31 -0.06 0.30 0.00 -0.12 0.00 0.00 57.88 58.32 1jmh h LEU 164 Cb 0.56 0.15 -0.07 0.00 -0.73 0.00 0.00 40.66 40.57 1jmh h LEU 164 CO -0.98 -0.27 0.75 1.23 -0.62 0.00 0.00 178.44 178.54 1jmh h GLY 165 N -0.87 0.68 0.81 3.75 0.00 -1.61 0.15 103.07 105.97 1jmh h GLY 165 Ca -0.07 -0.11 -0.20 0.00 0.00 0.00 0.00 47.33 46.95 1jmh h GLY 165 CO 0.11 -0.09 -0.87 -0.55 0.00 0.00 0.00 176.54 175.14 1jmh h ASP 166 N 0.21 0.55 -0.54 0.19 3.32 -0.91 -3.15 116.42 116.08 1jmh h ASP 166 Ca 0.58 -0.90 0.02 0.00 0.02 0.00 0.00 57.03 56.75 1jmh h ASP 166 Cb 1.85 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 41.19 1jmh h ASP 166 CO -0.17 1.41 0.34 0.58 -1.72 0.00 0.00 179.24 179.68 1jmh h VAL 167 N -0.22 1.08 -0.71 -1.35 2.07 0.32 -0.40 116.25 117.04 1jmh h VAL 167 Ca -0.14 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1jmh h VAL 167 Cb 1.66 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1jmh h VAL 167 CO 0.17 0.12 0.47 0.40 0.02 0.00 0.00 177.57 178.75 1jmh h ILE 168 N 0.68 1.18 -0.10 4.57 2.04 -1.16 0.98 117.51 125.69 1jmh h ILE 168 Ca 0.21 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1jmh h ILE 168 Cb -0.01 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.20 1jmh h ILE 168 CO -0.08 0.17 -0.00 -0.08 0.00 0.00 0.00 178.15 178.16 1jmh h GLU 169 N 0.96 0.19 -0.96 2.37 4.57 -1.34 -2.60 114.58 117.77 1jmh h GLU 169 Ca 0.26 -0.06 0.22 0.00 -1.18 0.00 0.00 59.36 58.60 1jmh h GLU 169 Cb -0.10 -0.02 -0.12 0.00 -0.16 0.00 0.00 28.75 28.35 1jmh h GLU 169 CO -0.06 0.45 0.52 1.96 -1.18 0.00 0.00 179.01 180.70 1jmh h GLN 170 N -0.10 0.53 -0.35 1.92 1.08 0.26 0.21 115.11 118.67 1jmh h GLN 170 Ca 0.03 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1jmh h GLN 170 Cb 0.37 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 1jmh h GLN 170 CO 0.01 0.35 0.13 0.82 -0.95 0.00 0.00 178.83 179.18 1jmh h ILE 171 N 0.54 1.20 -0.81 2.54 2.04 -0.62 0.89 117.51 123.29 1jmh h ILE 171 Ca 0.60 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 1jmh h ILE 171 Cb 1.10 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 38.09 1jmh h ILE 171 CO -0.48 0.22 0.33 0.11 0.00 0.00 0.00 178.15 178.34 1jmh h LYS 172 N 0.41 1.20 0.00 2.37 1.57 -0.28 -1.34 116.57 120.50 1jmh h LYS 172 Ca 0.11 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1jmh h LYS 172 Cb 0.21 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1jmh h LYS 172 CO -0.01 0.96 -1.81 0.25 -0.57 0.00 0.00 179.45 178.28 1jmh n THR 173 N -4.28 0.23 -3.19 -0.16 -2.24 -0.25 -4.62 114.28 99.76 1jmh n THR 173 Ca 0.07 -0.53 -0.20 0.00 -2.27 0.00 0.00 64.05 61.12 1jmh n THR 173 Cb 0.18 -0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.26 1jmh n THR 173 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1jmh n HIS 174 N -2.39 0.03 -0.24 4.78 8.25 0.31 -4.98 115.22 120.99 1jmh n HIS 174 Ca -0.05 -3.74 0.16 0.00 -0.26 0.00 0.00 57.72 53.83 1jmh n HIS 174 Cb 0.60 -0.40 0.47 0.00 1.12 0.00 0.00 29.99 31.78 1jmh n HIS 174 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1jmh h PRO 175 N 3.30 0.48 -1.01 -0.41 0.13 -1.31 -1.02 132.00 132.16 1jmh h PRO 175 Ca 0.09 -0.03 -0.21 0.00 -0.87 0.00 0.00 66.00 64.98 1jmh h PRO 175 Cb 0.94 -0.11 -0.12 0.00 0.13 0.00 0.00 31.00 31.84 1jmh h PRO 175 CO 0.49 0.32 0.27 0.66 -0.23 0.00 0.00 178.00 179.51 1jmh n TYR 176 N -4.53 1.24 -3.04 1.56 4.01 -1.26 -3.80 117.16 111.34 1jmh n TYR 176 Ca 0.18 -1.06 -0.39 0.00 -0.16 0.00 0.00 57.90 56.47 1jmh n TYR 176 Cb 0.59 -0.54 -0.06 0.00 -0.31 0.00 0.00 39.34 39.03 1jmh n TYR 176 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1jmh s SER 177 N 0.08 7.26 -0.20 7.72 0.15 -0.39 -4.95 113.70 123.36 1jmh s SER 177 Ca 0.23 1.49 0.15 0.00 0.70 0.00 0.00 55.95 58.52 1jmh s SER 177 Cb 0.19 -2.46 0.79 0.00 -1.71 0.00 0.00 66.02 62.83 1jmh s SER 177 CO 0.04 0.15 1.70 0.54 1.20 0.00 0.00 173.24 176.88 1jmh n ARG 178 N 2.07 4.58 -0.12 5.44 1.74 -1.26 -4.15 116.66 124.95 1jmh n ARG 178 Ca -0.05 -3.04 0.08 0.00 -0.77 0.00 0.00 57.85 54.07 1jmh n ARG 178 Cb 0.50 -2.17 0.12 0.00 -1.02 0.00 0.00 32.46 29.88 1jmh n ARG 178 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1jmh n ARG 179 N 0.74 1.19 -1.42 5.56 1.74 -1.26 -4.88 116.66 118.33 1jmh n ARG 179 Ca 0.27 -2.32 -0.40 0.00 -0.77 0.00 0.00 57.85 54.63 1jmh n ARG 179 Cb 1.11 -1.34 -0.02 0.00 -1.02 0.00 0.00 32.46 31.19 1jmh n ARG 179 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1jmh n LEU 180 N -1.21 8.27 -4.70 0.55 4.77 -1.26 -4.91 117.00 118.51 1jmh n LEU 180 Ca 0.13 -4.30 -0.30 0.00 -0.03 0.00 0.00 56.01 51.51 1jmh n LEU 180 Cb 0.63 -1.58 -0.08 0.00 -2.33 0.00 0.00 43.42 40.06 1jmh n LEU 180 CO 0.01 1.82 -0.32 -0.63 -1.33 0.00 0.00 177.39 176.94 1jmh s ILE 181 N 2.44 4.11 -0.08 -0.08 1.01 -1.26 -0.98 121.20 126.36 1jmh s ILE 181 Ca 0.64 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 1jmh s ILE 181 Cb 0.17 -2.96 0.04 0.00 0.01 0.00 0.00 42.46 39.72 1jmh s ILE 181 CO -0.07 0.14 0.04 -0.69 0.00 0.00 0.00 174.94 174.36 1jmh s VAL 182 N -1.31 0.09 0.05 2.92 1.01 -0.83 -4.96 120.40 117.38 1jmh s VAL 182 Ca 0.26 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.44 1jmh s VAL 182 Cb -0.12 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1jmh s VAL 182 CO 0.18 0.11 0.05 -0.55 0.00 0.00 0.00 175.10 174.90 1jmh s SER 183 N 2.08 5.39 0.00 3.32 0.15 -1.26 -1.94 113.70 121.44 1jmh s SER 183 Ca 0.04 -0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.69 1jmh s SER 183 Cb -0.13 -1.43 0.03 0.00 -1.71 0.00 0.00 66.02 62.78 1jmh s SER 183 CO -0.05 0.21 0.73 0.00 1.20 0.00 0.00 173.24 175.32 1jmh n ALA 184 N 0.76 2.33 -2.70 5.45 0.00 -0.50 -4.72 120.51 121.13 1jmh n ALA 184 Ca -0.11 -0.69 -0.40 0.00 0.00 0.00 0.00 53.44 52.24 1jmh n ALA 184 Cb 0.52 -0.06 -0.11 0.00 0.00 0.00 0.00 19.45 19.80 1jmh n ALA 184 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1jmh s TRP 185 N -0.45 3.22 -0.19 0.00 -0.11 -1.23 -4.68 118.94 115.51 1jmh s TRP 185 Ca 0.03 -0.64 0.01 0.00 1.22 0.00 0.00 56.10 56.72 1jmh s TRP 185 Cb 0.02 -2.46 0.03 0.00 -1.50 0.00 0.00 33.47 29.56 1jmh s TRP 185 CO 0.02 -0.53 -0.17 1.21 -4.62 0.00 0.00 176.95 172.86 1jmh s ASN 186 N 1.63 3.36 0.23 5.86 3.84 -1.26 -5.05 114.94 123.55 1jmh s ASN 186 Ca 0.04 -0.79 -0.06 0.00 0.21 0.00 0.00 52.86 52.26 1jmh s ASN 186 Cb -0.18 -1.46 0.38 0.00 -0.55 0.00 0.00 41.25 39.44 1jmh s ASN 186 CO 0.08 -0.05 1.74 -0.65 -2.79 0.00 0.00 177.10 175.43 1jmh h PRO 187 N 7.92 0.43 0.00 0.43 0.11 -1.99 -0.95 132.00 137.95 1jmh h PRO 187 Ca -0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1jmh h PRO 187 Cb 1.12 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1jmh h PRO 187 CO 0.59 0.29 0.00 1.05 -0.21 0.00 0.00 178.00 179.72 1jmh h GLU 188 N 0.45 0.00 0.03 1.05 4.11 -2.04 -3.23 114.58 114.94 1jmh h GLU 188 Ca 0.37 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.43 1jmh h GLU 188 Cb 0.51 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 1jmh h GLU 188 CO -0.36 0.00 -2.16 -0.25 0.07 0.00 0.00 179.01 176.31 1jmh n ASP 189 N -2.92 1.99 -0.25 3.06 8.00 -0.94 -4.58 116.55 120.91 1jmh n ASP 189 Ca 0.00 0.17 0.23 0.00 0.71 0.00 0.00 54.79 55.91 1jmh n ASP 189 Cb 0.26 -0.73 0.40 0.00 -0.02 0.00 0.00 41.12 41.04 1jmh n ASP 189 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1jmh n VAL 190 N -3.79 -0.23 0.09 2.53 0.31 -0.40 -0.19 118.33 116.65 1jmh n VAL 190 Ca -0.42 1.25 -0.15 0.00 -0.01 0.00 0.00 64.34 65.01 1jmh n VAL 190 Cb 0.92 -2.04 -0.14 0.00 -0.91 0.00 0.00 33.84 31.67 1jmh n VAL 190 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1jmh h PRO 191 N 0.00 0.25 0.00 5.55 0.11 -1.81 -3.35 132.00 132.75 1jmh h PRO 191 Ca 0.56 -0.42 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 1jmh h PRO 191 Cb 1.61 0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.87 1jmh h PRO 191 CO -0.42 1.18 -0.26 0.00 -0.21 0.00 0.00 178.00 178.29 1jmh h THR 192 N 0.07 0.29 -4.08 -1.15 1.03 -0.85 -3.47 112.91 104.76 1jmh h THR 192 Ca -0.14 -1.42 -0.52 0.00 -0.01 0.00 0.00 66.41 64.32 1jmh h THR 192 Cb 1.97 2.11 0.09 0.00 -1.07 0.00 0.00 68.15 71.24 1jmh h THR 192 CO 0.19 0.17 0.46 -0.04 -0.01 0.00 0.00 175.52 176.29 1jmh s MET 193 N -3.13 3.26 0.20 0.00 -1.94 -0.89 -4.94 119.30 111.86 1jmh s MET 193 Ca 0.05 1.75 0.05 0.00 -1.71 0.00 0.00 55.69 55.84 1jmh s MET 193 Cb 0.06 -2.05 0.10 0.00 2.01 0.00 0.00 34.83 34.95 1jmh s MET 193 CO 0.71 -0.96 1.45 0.00 -0.01 0.00 0.00 175.02 176.21 1jmh h ALA 194 N 1.22 0.67 -2.17 3.03 0.00 -1.92 -3.40 119.26 116.69 1jmh h ALA 194 Ca -0.50 -0.67 -0.46 0.00 0.00 0.00 0.00 54.91 53.28 1jmh h ALA 194 Cb 1.28 -0.09 -0.34 0.00 0.00 0.00 0.00 17.79 18.63 1jmh h ALA 194 CO 0.57 0.89 -0.77 -1.17 0.00 0.00 0.00 179.25 178.76 1jmh s LEU 195 N -7.48 0.41 0.55 0.00 2.96 -1.26 -5.13 118.68 108.72 1jmh s LEU 195 Ca -0.02 -1.98 -0.20 0.00 -0.22 0.00 0.00 54.13 51.71 1jmh s LEU 195 Cb 0.11 0.17 -0.07 0.00 0.50 0.00 0.00 46.19 46.90 1jmh s LEU 195 CO 0.81 -0.26 0.88 -0.81 -1.32 0.00 0.00 176.35 175.66 1jmh n PRO 196 N 3.95 0.93 -1.60 0.98 -0.04 -1.26 -4.82 135.00 133.13 1jmh n PRO 196 Ca 0.14 0.35 -0.50 0.00 -0.04 0.00 0.00 63.50 63.46 1jmh n PRO 196 Cb 0.43 -2.04 -0.05 0.00 -0.04 0.00 0.00 33.50 31.80 1jmh n PRO 196 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1jmh n PRO 197 N -0.52 1.35 0.07 0.54 -0.02 -1.26 -4.93 135.00 130.22 1jmh n PRO 197 Ca 0.12 0.48 -0.22 0.00 -2.02 0.00 0.00 63.50 61.87 1jmh n PRO 197 Cb 0.45 -2.10 -0.15 0.00 -0.02 0.00 0.00 33.50 31.69 1jmh n PRO 197 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jmh s HIS 199 N -2.49 3.01 0.16 0.00 3.76 -1.26 -1.59 115.29 116.88 1jmh s HIS 199 Ca -0.14 -1.20 -0.04 0.00 -0.15 0.00 0.00 55.06 53.52 1jmh s HIS 199 Cb 0.03 -4.29 0.02 0.00 1.11 0.00 0.00 32.58 29.45 1jmh s HIS 199 CO 0.85 -1.53 1.42 1.15 -0.85 0.00 0.00 174.74 175.78 1jmh h THR 200 N 5.90 1.34 -1.54 1.30 2.02 -1.62 -3.43 112.91 116.88 1jmh h THR 200 Ca 0.06 -2.03 0.08 0.00 0.77 0.00 0.00 66.41 65.30 1jmh h THR 200 Cb 1.03 2.01 -0.24 0.00 -1.74 0.00 0.00 68.15 69.21 1jmh h THR 200 CO 1.13 0.62 0.55 -0.22 0.37 0.00 0.00 175.52 177.97 1jmh s LEU 201 N -8.14 -0.37 0.06 2.58 0.20 -1.21 -1.41 118.68 110.39 1jmh s LEU 201 Ca -0.07 0.47 0.00 0.00 0.69 0.00 0.00 54.13 55.22 1jmh s LEU 201 Cb 0.10 1.83 -0.04 0.00 -0.43 0.00 0.00 46.19 47.66 1jmh s LEU 201 CO 0.85 -0.30 -0.05 -0.72 -0.29 0.00 0.00 176.35 175.85 1jmh s TYR 202 N -0.86 0.61 -0.03 5.38 1.13 -0.82 -1.07 117.35 121.70 1jmh s TYR 202 Ca -0.00 -0.90 0.02 0.00 -1.41 0.00 0.00 57.07 54.77 1jmh s TYR 202 Cb -0.01 -0.40 0.01 0.00 -1.10 0.00 0.00 41.96 40.45 1jmh s TYR 202 CO -0.00 -0.26 -0.08 -1.14 -2.51 0.00 0.00 175.55 171.56 1jmh s GLN 203 N -3.37 0.91 0.34 -3.49 0.74 0.05 -1.96 119.66 112.89 1jmh s GLN 203 Ca 0.04 -0.24 -0.00 0.00 0.05 0.00 0.00 55.36 55.20 1jmh s GLN 203 Cb 0.03 -0.86 -0.04 0.00 1.10 0.00 0.00 33.01 33.25 1jmh s GLN 203 CO -0.06 0.05 0.56 -0.06 -0.55 0.00 0.00 175.29 175.23 1jmh s PHE 204 N 0.39 3.50 -0.20 1.67 0.08 -0.15 -0.13 117.98 123.14 1jmh s PHE 204 Ca -0.06 0.41 -0.13 0.00 0.12 0.00 0.00 56.93 57.27 1jmh s PHE 204 Cb -0.10 -1.94 0.06 0.00 -0.57 0.00 0.00 43.02 40.47 1jmh s PHE 204 CO 0.01 0.11 0.49 -0.47 -0.10 0.00 0.00 175.22 175.26 1jmh s TYR 205 N -2.30 -0.70 -0.03 0.36 5.04 -0.69 -4.56 117.35 114.47 1jmh s TYR 205 Ca 0.41 1.49 0.07 0.00 -2.44 0.00 0.00 57.07 56.60 1jmh s TYR 205 Cb -0.10 0.33 -0.01 0.00 0.35 0.00 0.00 41.96 42.53 1jmh s TYR 205 CO 0.36 -0.37 -0.24 0.08 -1.34 0.00 0.00 175.55 174.04 1jmh s VAL 206 N 1.21 1.92 -0.28 3.14 1.01 -1.25 -0.91 120.40 125.23 1jmh s VAL 206 Ca -0.08 -1.02 -0.23 0.00 0.00 0.00 0.00 61.98 60.65 1jmh s VAL 206 Cb -0.07 -1.60 0.11 0.00 0.00 0.00 0.00 36.38 34.82 1jmh s VAL 206 CO -0.11 0.54 0.95 0.21 0.00 0.00 0.00 175.10 176.68 1jmh s ASN 207 N -0.38 -0.54 -1.88 3.32 3.84 -0.71 -4.65 114.94 113.93 1jmh s ASN 207 Ca 0.04 1.01 0.00 0.00 0.21 0.00 0.00 52.86 54.12 1jmh s ASN 207 Cb -0.11 1.06 0.00 0.00 -0.55 0.00 0.00 41.25 41.65 1jmh s ASN 207 CO 0.01 -0.17 0.00 0.47 -2.79 0.00 0.00 177.10 174.62 1jmh n ASP 208 N 2.60 -5.22 -0.85 -4.21 8.00 -1.26 -0.55 116.55 115.07 1jmh n ASP 208 Ca -0.14 0.31 -0.09 0.00 0.71 0.00 0.00 54.79 55.58 1jmh n ASP 208 Cb 0.56 -4.53 -0.02 0.00 -0.02 0.00 0.00 41.12 37.11 1jmh n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jmh n GLY 209 N -0.59 0.57 3.34 0.44 0.00 -1.26 -5.03 105.19 102.67 1jmh n GLY 209 Ca -0.20 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 1jmh n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jmh s LYS 210 N -3.55 2.05 -0.22 1.61 1.02 0.29 -2.44 119.74 118.50 1jmh s LYS 210 Ca 0.00 -0.97 -0.05 0.00 0.02 0.00 0.00 55.97 54.98 1jmh s LYS 210 Cb 0.00 -2.05 -0.02 0.00 -0.52 0.00 0.00 37.83 35.24 1jmh s LYS 210 CO 0.00 0.55 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.80 1jmh s LEU 211 N -0.83 3.08 0.38 3.17 2.96 0.12 -1.74 118.68 125.82 1jmh s LEU 211 Ca 0.11 -0.30 0.08 0.00 -0.22 0.00 0.00 54.13 53.79 1jmh s LEU 211 Cb -0.10 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 1jmh s LEU 211 CO 0.00 0.01 0.19 -0.44 -1.32 0.00 0.00 176.35 174.79 1jmh s SER 212 N 1.32 4.59 -0.11 3.68 0.01 -0.09 0.39 113.70 123.49 1jmh s SER 212 Ca 0.04 -0.92 -0.08 0.00 1.31 0.00 0.00 55.95 56.30 1jmh s SER 212 Cb -0.14 -0.58 0.04 0.00 0.21 0.00 0.00 66.02 65.54 1jmh s SER 212 CO -0.00 -0.46 0.27 -0.22 0.41 0.00 0.00 173.24 173.24 1jmh s LEU 213 N -3.91 0.69 -0.12 2.44 0.20 -0.77 -1.70 118.68 115.51 1jmh s LEU 213 Ca 0.41 0.56 0.01 0.00 0.69 0.00 0.00 54.13 55.80 1jmh s LEU 213 Cb 0.00 0.88 -0.01 0.00 -0.43 0.00 0.00 46.19 46.63 1jmh s LEU 213 CO 0.23 -0.13 -0.17 -1.58 -0.29 0.00 0.00 176.35 174.42 1jmh s GLN 214 N 0.66 3.27 -0.23 1.98 0.74 0.82 -0.68 119.66 126.22 1jmh s GLN 214 Ca -0.04 -0.75 -0.02 0.00 0.05 0.00 0.00 55.36 54.59 1jmh s GLN 214 Cb -0.06 -2.53 0.01 0.00 1.10 0.00 0.00 33.01 31.54 1jmh s GLN 214 CO -0.04 0.19 -0.07 -1.17 -0.55 0.00 0.00 175.29 173.66 1jmh s LEU 215 N 0.37 2.92 -0.33 3.68 1.98 -0.00 -0.77 118.68 126.52 1jmh s LEU 215 Ca -0.13 -0.63 -0.18 0.00 -2.89 0.00 0.00 54.13 50.31 1jmh s LEU 215 Cb -0.17 -1.68 -0.01 0.00 0.66 0.00 0.00 46.19 45.00 1jmh s LEU 215 CO 0.07 -0.06 0.49 -0.47 -1.89 0.00 0.00 176.35 174.48 1jmh s TYR 216 N 1.39 3.20 -0.28 5.38 6.14 -0.23 -0.71 117.35 132.24 1jmh s TYR 216 Ca 0.03 0.26 -0.03 0.00 0.64 0.00 0.00 57.07 57.97 1jmh s TYR 216 Cb -0.15 -2.85 0.03 0.00 0.42 0.00 0.00 41.96 39.41 1jmh s TYR 216 CO -0.05 -0.47 0.00 -1.14 0.64 0.00 0.00 175.55 174.54 1jmh s GLN 217 N 2.33 2.74 0.31 4.97 0.74 -0.17 -2.18 119.66 128.39 1jmh s GLN 217 Ca 0.18 -1.06 0.02 0.00 0.05 0.00 0.00 55.36 54.55 1jmh s GLN 217 Cb -0.16 -3.17 0.49 0.00 1.10 0.00 0.00 33.01 31.28 1jmh s GLN 217 CO 0.12 -0.50 1.83 0.07 -0.55 0.00 0.00 175.29 176.26 1jmh h ARG 218 N 8.07 0.64 -3.63 1.67 0.11 -1.61 0.20 114.38 119.84 1jmh h ARG 218 Ca -0.28 -0.15 -0.22 0.00 0.10 0.00 0.00 59.98 59.43 1jmh h ARG 218 Cb 1.09 -0.09 -0.28 0.00 1.11 0.00 0.00 29.97 31.81 1jmh h ARG 218 CO 0.57 0.65 -0.67 0.45 0.10 0.00 0.00 179.97 181.07 1jmh s SER 219 N -6.69 -0.04 -0.08 0.08 0.15 -1.26 -0.65 113.70 105.22 1jmh s SER 219 Ca -0.08 0.08 -0.15 0.00 0.70 0.00 0.00 55.95 56.50 1jmh s SER 219 Cb 0.15 0.08 0.03 0.00 -1.71 0.00 0.00 66.02 64.58 1jmh s SER 219 CO 0.78 -0.02 0.36 0.00 1.20 0.00 0.00 173.24 175.56 1jmh s ALA 220 N 0.01 -0.89 -0.66 5.45 0.00 -0.62 -4.83 121.76 120.22 1jmh s ALA 220 Ca -0.00 0.72 -0.14 0.00 0.00 0.00 0.00 51.96 52.54 1jmh s ALA 220 Cb -0.00 -0.26 0.17 0.00 0.00 0.00 0.00 23.12 23.03 1jmh s ALA 220 CO 0.00 -0.23 0.59 0.34 0.00 0.00 0.00 175.76 176.47 1jmh s ASP 221 N -0.59 6.32 0.33 0.00 -1.08 -1.26 -1.25 116.67 119.13 1jmh s ASP 221 Ca -0.07 -2.24 0.11 0.00 -0.52 0.00 0.00 52.55 49.83 1jmh s ASP 221 Cb -0.04 -2.17 1.00 0.00 -1.46 0.00 0.00 42.92 40.26 1jmh s ASP 221 CO 0.03 -0.69 1.64 0.40 0.52 0.00 0.00 175.17 177.07 1jmh h ILE 222 N 5.42 0.25 0.00 4.11 2.04 -1.29 0.65 117.51 128.69 1jmh h ILE 222 Ca -0.11 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 1jmh h ILE 222 Cb 1.06 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1jmh h ILE 222 CO 0.88 0.04 -0.36 0.15 0.00 0.00 0.00 178.15 178.86 1jmh h PHE 223 N 0.23 0.00 0.00 1.37 3.57 -1.93 -3.37 116.94 116.82 1jmh h PHE 223 Ca 0.69 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 62.14 1jmh h PHE 223 Cb 1.57 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.30 1jmh h PHE 223 CO -0.11 1.07 -1.71 1.28 -2.23 0.00 0.00 178.31 176.61 1jmh n LEU 224 N -4.57 0.31 -0.09 0.59 4.77 -1.19 -4.69 117.00 112.13 1jmh n LEU 224 Ca -0.16 0.12 -0.09 0.00 -0.03 0.00 0.00 56.01 55.86 1jmh n LEU 224 Cb 0.51 0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 1jmh n LEU 224 CO 0.28 0.01 -0.66 0.61 -1.33 0.00 0.00 177.39 176.29 1jmh n GLY 225 N 1.29 -0.57 0.32 -0.72 0.00 0.16 -4.70 105.19 100.98 1jmh n GLY 225 Ca -0.06 -0.32 0.17 0.00 0.00 0.00 0.00 46.02 45.81 1jmh n GLY 225 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jmh h VAL 226 N -1.00 0.17 -0.30 1.61 2.07 -1.54 -0.34 116.25 116.92 1jmh h VAL 226 Ca -0.01 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1jmh h VAL 226 Cb 0.97 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1jmh h VAL 226 CO -0.00 0.02 0.20 -0.65 0.02 0.00 0.00 177.57 177.16 1jmh h PRO 227 N 0.12 0.21 -0.00 1.57 0.11 -1.84 -0.82 132.00 131.35 1jmh h PRO 227 Ca 0.62 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.70 1jmh h PRO 227 Cb 1.35 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1jmh h PRO 227 CO -0.76 0.14 -0.08 0.74 -0.21 0.00 0.00 178.00 177.83 1jmh h PHE 228 N 0.21 0.08 -1.00 0.65 -1.00 -1.35 -3.28 116.94 111.26 1jmh h PHE 228 Ca 0.13 -0.04 0.12 0.00 2.81 0.00 0.00 57.97 60.98 1jmh h PHE 228 Cb 0.25 -0.01 -0.08 0.00 3.61 0.00 0.00 35.95 39.72 1jmh h PHE 228 CO -0.00 0.83 0.63 0.82 -1.61 0.00 0.00 178.31 178.98 1jmh h ILE 229 N -0.69 0.93 -0.61 -0.55 1.08 -1.09 -0.91 117.51 115.67 1jmh h ILE 229 Ca -0.01 -0.34 0.05 0.00 -0.39 0.00 0.00 64.86 64.17 1jmh h ILE 229 Cb 0.85 -0.16 -0.05 0.00 -3.07 0.00 0.00 36.82 34.39 1jmh h ILE 229 CO 0.02 0.18 0.33 0.40 -0.69 0.00 0.00 178.15 178.39 1jmh h ILE 230 N 1.00 0.96 0.16 -0.67 2.04 -1.26 -2.13 117.51 117.61 1jmh h ILE 230 Ca 0.49 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 66.13 1jmh h ILE 230 Cb 0.46 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1jmh h ILE 230 CO -0.26 0.11 -0.08 0.00 0.00 0.00 0.00 178.15 177.93 1jmh h ALA 231 N 1.32 -0.21 -0.56 1.87 0.00 -1.33 -0.40 119.26 119.95 1jmh h ALA 231 Ca 0.27 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1jmh h ALA 231 Cb 0.17 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 17.93 1jmh h ALA 231 CO -0.18 -0.40 -0.30 0.77 0.00 0.00 0.00 179.25 179.14 1jmh h SER 232 N -0.65 -1.04 0.79 0.00 0.02 -1.07 0.36 113.55 111.95 1jmh h SER 232 Ca -0.02 0.21 -0.15 0.00 -0.84 0.00 0.00 61.79 61.00 1jmh h SER 232 Cb 0.48 0.53 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 1jmh h SER 232 CO 0.04 -0.29 -0.70 1.88 -1.14 0.00 0.00 176.83 176.62 1jmh h TYR 233 N -0.15 0.00 -0.50 3.45 0.05 -1.40 -0.63 116.97 117.78 1jmh h TYR 233 Ca 0.23 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.95 1jmh h TYR 233 Cb 0.54 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.26 1jmh h TYR 233 CO -0.59 0.70 0.05 0.00 -1.05 0.00 0.00 178.16 177.26 1jmh h ALA 234 N 1.30 0.67 -0.44 3.88 0.00 -0.44 -1.12 119.26 123.11 1jmh h ALA 234 Ca -0.01 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1jmh h ALA 234 Cb 1.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1jmh h ALA 234 CO 0.09 0.43 -0.15 1.25 0.00 0.00 0.00 179.25 180.87 1jmh h LEU 235 N 0.72 0.90 -0.96 0.00 6.46 -0.80 -1.90 115.31 119.73 1jmh h LEU 235 Ca 0.15 -0.38 -0.07 0.00 -0.12 0.00 0.00 57.88 57.46 1jmh h LEU 235 Cb 0.44 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 1jmh h LEU 235 CO 0.02 1.07 0.03 0.25 -0.62 0.00 0.00 178.44 179.19 1jmh h LEU 236 N 0.71 0.75 -1.30 2.25 6.46 -0.96 0.17 115.31 123.38 1jmh h LEU 236 Ca 0.11 -0.17 -0.03 0.00 -0.12 0.00 0.00 57.88 57.66 1jmh h LEU 236 Cb 0.71 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.42 1jmh h LEU 236 CO 0.05 0.80 0.11 0.74 -0.62 0.00 0.00 178.44 179.52 1jmh h THR 237 N 0.74 1.18 -0.05 1.05 2.02 -0.91 -0.72 112.91 116.23 1jmh h THR 237 Ca 0.15 -0.61 -0.06 0.00 0.77 0.00 0.00 66.41 66.66 1jmh h THR 237 Cb 0.41 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1jmh h THR 237 CO 0.01 0.23 -0.20 0.45 0.37 0.00 0.00 175.52 176.38 1jmh h HIS 238 N 0.57 0.30 -0.26 3.16 3.86 -0.46 -2.84 115.15 119.49 1jmh h HIS 238 Ca 0.14 -0.13 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1jmh h HIS 238 Cb 0.20 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 1jmh h HIS 238 CO 0.01 0.83 0.12 -0.07 0.86 0.00 0.00 177.93 179.68 1jmh h LEU 239 N -0.31 0.18 -0.77 2.43 3.38 -0.31 0.40 115.31 120.31 1jmh h LEU 239 Ca -0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1jmh h LEU 239 Cb 0.85 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 1jmh h LEU 239 CO 0.04 0.14 0.42 0.58 0.09 0.00 0.00 178.44 179.71 1jmh h VAL 240 N 0.26 1.23 -0.41 1.22 2.07 -1.24 -1.95 116.25 117.44 1jmh h VAL 240 Ca 0.11 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1jmh h VAL 240 Cb 0.04 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1jmh h VAL 240 CO -0.08 0.26 0.24 0.00 0.02 0.00 0.00 177.57 178.01 1jmh h ALA 241 N 1.22 0.52 -0.47 1.67 0.00 -1.19 -0.14 119.26 120.87 1jmh h ALA 241 Ca 0.27 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.19 1jmh h ALA 241 Cb 0.04 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 1jmh h ALA 241 CO -0.04 0.02 0.11 1.25 0.00 0.00 0.00 179.25 180.59 1jmh h HIS 242 N 0.54 0.18 -0.41 0.00 6.17 -0.37 0.21 115.15 121.48 1jmh h HIS 242 Ca 0.15 0.03 -0.12 0.00 0.71 0.00 0.00 60.37 61.14 1jmh h HIS 242 Cb 0.01 -0.01 -0.01 0.00 2.52 0.00 0.00 27.41 29.92 1jmh h HIS 242 CO -0.03 0.02 -0.21 1.49 0.71 0.00 0.00 177.93 179.91 1jmh h GLU 243 N 0.25 0.86 -0.01 5.26 4.81 -1.12 -3.04 114.58 121.59 1jmh h GLU 243 Ca 0.23 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1jmh h GLU 243 Cb 0.29 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1jmh h GLU 243 CO -0.29 1.02 0.00 0.00 -0.73 0.00 0.00 179.01 179.02 1jmh n GLY 245 N 0.75 -0.50 3.66 0.00 0.00 0.60 -4.96 105.19 104.73 1jmh n GLY 245 Ca 0.11 0.12 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 1jmh n GLY 245 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jmh s LEU 246 N -6.66 3.09 0.58 0.99 1.43 -0.28 -5.03 118.68 112.80 1jmh s LEU 246 Ca 0.41 -0.86 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1jmh s LEU 246 Cb -0.20 -1.52 0.03 0.00 0.03 0.00 0.00 46.19 44.53 1jmh s LEU 246 CO 0.50 -0.20 0.83 -1.61 0.23 0.00 0.00 176.35 176.11 1jmh s GLU 247 N -3.74 2.53 0.03 1.70 2.02 -1.02 -4.35 118.70 115.88 1jmh s GLU 247 Ca 0.35 -0.56 -0.14 0.00 0.02 0.00 0.00 54.97 54.64 1jmh s GLU 247 Cb -0.02 -2.40 -0.06 0.00 0.10 0.00 0.00 34.13 31.75 1jmh s GLU 247 CO 0.20 -0.80 0.42 0.14 0.02 0.00 0.00 175.26 175.24 1jmh s VAL 248 N -2.88 5.02 0.00 2.63 -7.23 -1.26 0.11 120.40 116.78 1jmh s VAL 248 Ca 0.57 0.77 0.00 0.00 -1.81 0.00 0.00 61.98 61.50 1jmh s VAL 248 Cb -0.10 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.13 1jmh s VAL 248 CO 0.40 0.49 0.00 0.61 -0.31 0.00 0.00 175.10 176.29 1jmh n GLY 249 N 1.53 0.62 3.35 2.32 0.00 0.16 -4.55 105.19 108.62 1jmh n GLY 249 Ca -0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 1jmh n GLY 249 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jmh s GLU 250 N 1.97 1.35 -0.22 1.61 2.02 -1.26 -1.08 118.70 123.10 1jmh s GLU 250 Ca 0.00 -1.65 -0.04 0.00 0.02 0.00 0.00 54.97 53.29 1jmh s GLU 250 Cb 0.00 -0.87 -0.01 0.00 0.10 0.00 0.00 34.13 33.35 1jmh s GLU 250 CO 0.00 0.02 -0.03 0.12 0.02 0.00 0.00 175.26 175.39 1jmh s PHE 251 N -3.20 2.97 -0.30 1.61 5.36 -0.18 -1.85 117.98 122.39 1jmh s PHE 251 Ca 0.26 -0.83 -0.07 0.00 -0.96 0.00 0.00 56.93 55.33 1jmh s PHE 251 Cb 0.03 -2.11 0.01 0.00 -0.34 0.00 0.00 43.02 40.62 1jmh s PHE 251 CO 0.08 -0.49 0.09 0.42 -1.46 0.00 0.00 175.22 173.86 1jmh s ILE 252 N 1.41 3.97 -0.59 3.12 1.01 0.14 -0.47 121.20 129.80 1jmh s ILE 252 Ca 0.05 -0.73 -0.13 0.00 0.00 0.00 0.00 60.65 59.84 1jmh s ILE 252 Cb -0.14 -3.07 0.15 0.00 0.01 0.00 0.00 42.46 39.41 1jmh s ILE 252 CO -0.02 0.05 0.52 -2.28 0.00 0.00 0.00 174.94 173.21 1jmh s HIS 253 N 1.49 3.42 -0.05 3.97 2.46 0.10 -0.82 115.29 125.86 1jmh s HIS 253 Ca 0.02 -1.68 -0.17 0.00 0.47 0.00 0.00 55.06 53.71 1jmh s HIS 253 Cb -0.17 -3.69 -0.05 0.00 -0.13 0.00 0.00 32.58 28.53 1jmh s HIS 253 CO 0.03 -1.00 0.46 0.99 -2.47 0.00 0.00 174.74 172.75 1jmh s THR 254 N 1.13 5.08 0.10 0.89 2.01 0.11 -2.19 115.64 122.76 1jmh s THR 254 Ca 0.08 0.94 0.08 0.00 0.31 0.00 0.00 61.69 63.09 1jmh s THR 254 Cb -0.24 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 1jmh s THR 254 CO -0.01 0.45 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.87 1jmh s PHE 255 N -0.20 2.65 0.00 4.92 0.40 0.15 -1.00 117.98 124.90 1jmh s PHE 255 Ca 0.25 -0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.38 1jmh s PHE 255 Cb -0.16 -1.41 0.00 0.00 0.51 0.00 0.00 43.02 41.96 1jmh s PHE 255 CO 0.12 0.39 0.00 0.41 0.70 0.00 0.00 175.22 176.84 1jmh n GLY 256 N 0.88 0.34 3.46 4.36 0.00 0.72 -2.69 105.19 112.25 1jmh n GLY 256 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 1jmh n GLY 256 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jmh s ASP 257 N -1.00 6.18 -0.19 1.61 -1.08 0.17 -0.30 116.67 122.06 1jmh s ASP 257 Ca 0.00 -0.87 -0.12 0.00 -0.52 0.00 0.00 52.55 51.04 1jmh s ASP 257 Cb 0.00 -2.22 -0.05 0.00 -1.46 0.00 0.00 42.92 39.20 1jmh s ASP 257 CO 0.00 -0.62 0.21 0.00 0.52 0.00 0.00 175.17 175.29 1jmh s ALA 258 N 2.04 3.63 0.06 3.66 0.00 -0.32 -1.58 121.76 129.25 1jmh s ALA 258 Ca 0.10 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.43 1jmh s ALA 258 Cb -0.19 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 1jmh s ALA 258 CO 0.11 0.03 -0.05 -3.38 0.00 0.00 0.00 175.76 172.48 1jmh s HIS 259 N 0.61 0.64 -0.21 0.00 -3.43 -0.38 -1.60 115.29 110.92 1jmh s HIS 259 Ca 0.12 -0.87 -0.01 0.00 -0.80 0.00 0.00 55.06 53.49 1jmh s HIS 259 Cb -0.12 -0.41 0.06 0.00 -1.43 0.00 0.00 32.58 30.67 1jmh s HIS 259 CO 0.02 -0.23 -0.00 -1.17 -2.00 0.00 0.00 174.74 171.35 1jmh s LEU 260 N -2.61 1.78 0.48 5.38 2.96 -0.85 -0.68 118.68 125.14 1jmh s LEU 260 Ca 0.04 -0.97 -0.24 0.00 -0.22 0.00 0.00 54.13 52.74 1jmh s LEU 260 Cb 0.02 -0.85 -0.07 0.00 0.50 0.00 0.00 46.19 45.80 1jmh s LEU 260 CO -0.06 -0.27 1.38 -0.31 -1.32 0.00 0.00 176.35 175.77 1jmh s TYR 261 N 1.66 2.43 0.55 5.38 2.02 -1.26 -1.50 117.35 126.62 1jmh s TYR 261 Ca -0.03 1.32 0.22 0.00 -0.37 0.00 0.00 57.07 58.21 1jmh s TYR 261 Cb -0.18 -3.84 1.51 0.00 -0.40 0.00 0.00 41.96 39.05 1jmh s TYR 261 CO -0.07 -2.82 2.19 -0.39 -1.57 0.00 0.00 175.55 172.89 1jmh h VAL 262 N 1.97 0.79 0.00 0.71 -1.51 -1.73 -2.09 116.25 114.38 1jmh h VAL 262 Ca -0.51 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1jmh h VAL 262 Cb 1.28 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 1jmh h VAL 262 CO 0.60 0.01 0.00 -0.46 -1.23 0.00 0.00 177.57 176.48 1jmh n ASN 263 N -4.21 0.00 0.00 4.19 6.94 -1.26 -2.62 115.26 118.30 1jmh n ASN 263 Ca -0.03 -1.36 0.00 0.00 -0.02 0.00 0.00 54.58 53.17 1jmh n ASN 263 Cb 0.09 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 1jmh n ASN 263 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1jmh n HIS 264 N -0.62 0.00 -0.13 -2.53 8.25 -0.79 -4.54 115.22 114.86 1jmh n HIS 264 Ca 0.04 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.47 1jmh n HIS 264 Cb 0.02 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.16 1jmh n HIS 264 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1jmh h LEU 265 N 0.00 -0.33 -1.14 2.41 3.38 -1.61 -0.47 115.31 117.55 1jmh h LEU 265 Ca 0.00 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1jmh h LEU 265 Cb 0.02 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1jmh h LEU 265 CO 0.00 -0.12 0.32 0.44 0.09 0.00 0.00 178.44 179.17 1jmh h ASP 266 N 0.03 0.83 -0.29 -0.43 3.32 -1.87 -1.72 116.42 116.29 1jmh h ASP 266 Ca 0.21 -0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 1jmh h ASP 266 Cb 0.32 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1jmh h ASP 266 CO -0.42 0.70 -0.28 1.56 -1.72 0.00 0.00 179.24 179.07 1jmh h GLN 267 N 0.92 0.70 -0.23 3.56 7.50 -1.69 -2.38 115.11 123.49 1jmh h GLN 267 Ca 0.23 -0.37 -0.12 0.00 0.50 0.00 0.00 58.65 58.89 1jmh h GLN 267 Cb 0.09 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.62 1jmh h GLN 267 CO -0.03 0.98 -0.37 0.97 -1.50 0.00 0.00 178.83 178.88 1jmh h ILE 268 N 0.45 1.30 -0.66 2.54 6.09 -0.79 -2.14 117.51 124.29 1jmh h ILE 268 Ca 0.05 -1.50 -0.02 0.00 -1.37 0.00 0.00 64.86 62.01 1jmh h ILE 268 Cb 0.85 1.53 -0.03 0.00 0.47 0.00 0.00 36.82 39.64 1jmh h ILE 268 CO 0.07 0.47 0.33 0.11 -3.07 0.00 0.00 178.15 176.07 1jmh h LYS 269 N 0.42 0.94 -0.09 2.19 1.57 -1.25 -1.98 116.57 118.37 1jmh h LYS 269 Ca 0.04 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1jmh h LYS 269 Cb 0.84 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 1jmh h LYS 269 CO 0.07 0.73 0.06 1.49 -0.57 0.00 0.00 179.45 181.23 1jmh h GLU 270 N 0.91 0.11 -0.71 3.15 4.22 -1.20 -2.49 114.58 118.57 1jmh h GLU 270 Ca 0.23 -0.01 0.09 0.00 0.08 0.00 0.00 59.36 59.75 1jmh h GLU 270 Cb 0.09 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 1jmh h GLU 270 CO -0.03 0.09 0.47 0.37 -2.18 0.00 0.00 179.01 177.72 1jmh h GLN 271 N 0.11 0.62 0.00 1.92 4.15 -1.04 0.55 115.11 121.41 1jmh h GLN 271 Ca 0.03 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1jmh h GLN 271 Cb -0.00 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 1jmh h GLN 271 CO -0.01 0.41 -0.13 -0.07 -1.93 0.00 0.00 178.83 177.10 1jmh h LEU 272 N 0.64 0.00 -1.78 -2.39 3.38 -0.90 -1.84 115.31 112.41 1jmh h LEU 272 Ca 0.32 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 1jmh h LEU 272 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1jmh h LEU 272 CO -0.11 0.13 -0.15 0.28 0.09 0.00 0.00 178.44 178.68 1jmh h SER 273 N 0.00 0.00 -4.24 -0.43 0.02 -0.75 -3.44 113.55 104.72 1jmh h SER 273 Ca -0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 1jmh h SER 273 Cb 0.35 0.00 0.08 0.00 0.14 0.00 0.00 62.40 62.97 1jmh h SER 273 CO 0.02 0.15 0.37 -0.13 -1.14 0.00 0.00 176.83 176.10 1jmh s ARG 274 N -4.50 3.03 -0.23 3.45 0.52 -0.69 -5.06 118.95 115.46 1jmh s ARG 274 Ca -0.04 1.18 0.01 0.00 -0.52 0.00 0.00 55.73 56.36 1jmh s ARG 274 Cb 0.15 -1.99 0.04 0.00 0.52 0.00 0.00 34.95 33.66 1jmh s ARG 274 CO 0.65 -1.04 -0.11 0.99 0.02 0.00 0.00 175.30 175.81 1jmh s THR 275 N -2.60 2.43 0.64 0.02 2.01 -1.26 -5.07 115.64 111.81 1jmh s THR 275 Ca 0.63 -1.21 -0.17 0.00 0.31 0.00 0.00 61.69 61.25 1jmh s THR 275 Cb -0.17 -2.25 -0.12 0.00 0.01 0.00 0.00 72.50 69.98 1jmh s THR 275 CO 0.43 0.21 -0.03 -2.65 -0.69 0.00 0.00 174.62 171.90 1jmh n PRO 276 N 4.58 0.12 -4.62 4.92 -0.02 -1.26 -4.92 135.00 133.80 1jmh n PRO 276 Ca -0.17 0.05 -0.28 0.00 -2.02 0.00 0.00 63.50 61.09 1jmh n PRO 276 Cb 0.46 -1.26 -0.10 0.00 -0.02 0.00 0.00 33.50 32.58 1jmh n PRO 276 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jmh s ARG 277 N -1.67 1.96 0.32 -0.52 0.52 -1.26 -5.01 118.95 113.28 1jmh s ARG 277 Ca 0.57 -2.15 -0.29 0.00 -0.52 0.00 0.00 55.73 53.35 1jmh s ARG 277 Cb -0.41 -1.46 -0.13 0.00 0.52 0.00 0.00 34.95 33.48 1jmh s ARG 277 CO 0.66 -0.15 1.30 -0.35 0.02 0.00 0.00 175.30 176.77 1jmh n PRO 278 N -0.99 2.07 -2.34 3.54 -0.04 -1.26 -4.85 135.00 131.12 1jmh n PRO 278 Ca -0.08 0.73 -0.34 0.00 -0.04 0.00 0.00 63.50 63.78 1jmh n PRO 278 Cb 0.67 -2.31 -0.02 0.00 -0.04 0.00 0.00 33.50 31.80 1jmh n PRO 278 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jmh s ALA 279 N -0.87 2.81 0.98 0.55 0.00 -1.26 -4.81 121.76 119.16 1jmh s ALA 279 Ca 0.58 0.54 -0.12 0.00 0.00 0.00 0.00 51.96 52.96 1jmh s ALA 279 Cb -0.59 -3.25 0.18 0.00 0.00 0.00 0.00 23.12 19.46 1jmh s ALA 279 CO 0.59 -0.52 1.10 -1.25 0.00 0.00 0.00 175.76 175.68 1jmh s PRO 280 N -3.54 0.56 -0.12 0.00 0.04 -1.26 -4.77 135.00 125.90 1jmh s PRO 280 Ca 0.66 0.50 0.03 0.00 0.04 0.00 0.00 61.00 62.24 1jmh s PRO 280 Cb -0.17 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.63 1jmh s PRO 280 CO 0.27 -2.64 -0.22 0.99 0.04 0.00 0.00 177.00 175.43 1jmh s THR 281 N -3.00 2.02 0.44 1.26 2.01 0.50 -2.05 115.64 116.80 1jmh s THR 281 Ca 0.65 -0.97 -0.15 0.00 0.31 0.00 0.00 61.69 61.53 1jmh s THR 281 Cb -0.18 -1.77 -0.08 0.00 0.01 0.00 0.00 72.50 70.48 1jmh s THR 281 CO 0.57 0.55 0.87 -0.22 -0.69 0.00 0.00 174.62 175.70 1jmh s LEU 282 N 0.61 3.80 -0.17 4.42 2.96 -1.26 0.16 118.68 129.21 1jmh s LEU 282 Ca -0.12 1.40 -0.06 0.00 -0.22 0.00 0.00 54.13 55.13 1jmh s LEU 282 Cb -0.17 -4.29 0.08 0.00 0.50 0.00 0.00 46.19 42.31 1jmh s LEU 282 CO 0.03 -0.43 0.36 -1.58 -1.32 0.00 0.00 176.35 173.41 1jmh s GLN 283 N -3.70 0.27 0.00 1.98 0.74 0.74 -4.93 119.66 114.76 1jmh s GLN 283 Ca 0.56 0.90 0.02 0.00 0.05 0.00 0.00 55.36 56.89 1jmh s GLN 283 Cb -0.10 0.16 -0.04 0.00 1.10 0.00 0.00 33.01 34.14 1jmh s GLN 283 CO 0.26 -0.25 -0.03 -0.51 -0.55 0.00 0.00 175.29 174.22 1jmh s LEU 284 N 2.37 3.38 -0.28 3.68 1.43 -1.26 -0.38 118.68 127.62 1jmh s LEU 284 Ca -0.02 -0.06 -0.36 0.00 -1.03 0.00 0.00 54.13 52.65 1jmh s LEU 284 Cb -0.12 -1.94 -0.13 0.00 0.03 0.00 0.00 46.19 44.04 1jmh s LEU 284 CO -0.11 0.28 2.02 -3.20 0.23 0.00 0.00 176.35 175.57 1jmh n ASN 285 N 1.44 2.44 0.02 2.29 2.85 -0.16 -4.86 115.26 119.29 1jmh n ASN 285 Ca -0.15 0.69 -0.03 0.00 -0.11 0.00 0.00 54.58 54.98 1jmh n ASN 285 Cb 0.53 -1.25 0.20 0.00 1.24 0.00 0.00 39.78 40.50 1jmh n ASN 285 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1jmh h PRO 286 N 10.46 0.46 0.00 1.20 0.13 -1.97 -2.75 132.00 139.54 1jmh h PRO 286 Ca -0.36 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1jmh h PRO 286 Cb 1.31 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1jmh h PRO 286 CO 0.99 0.70 0.00 -0.25 -0.23 0.00 0.00 178.00 179.21 1jmh n ASP 287 N -4.11 0.00 -4.22 1.44 9.92 -1.26 -4.70 116.55 113.61 1jmh n ASP 287 Ca -0.01 -0.03 -0.30 0.00 -0.53 0.00 0.00 54.79 53.92 1jmh n ASP 287 Cb 0.41 -0.30 -0.16 0.00 -0.64 0.00 0.00 41.12 40.43 1jmh n ASP 287 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1jmh s LYS 288 N -2.60 2.46 0.00 -1.24 2.47 -1.04 -5.00 119.74 114.79 1jmh s LYS 288 Ca 0.23 -0.82 0.00 0.00 -1.56 0.00 0.00 55.97 53.82 1jmh s LYS 288 Cb 0.16 -2.03 0.00 0.00 -1.46 0.00 0.00 37.83 34.50 1jmh s LYS 288 CO 0.38 0.29 0.00 0.72 0.16 0.00 0.00 175.35 176.90 1jmh n HIS 289 N 3.15 0.00 -2.74 4.03 8.25 -1.26 -4.77 115.22 121.88 1jmh n HIS 289 Ca -0.18 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.86 1jmh n HIS 289 Cb 0.52 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 1jmh n HIS 289 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1jmh s ASP 290 N -0.58 6.18 0.00 0.41 -1.08 -1.26 -4.21 116.67 116.13 1jmh s ASP 290 Ca 0.00 -0.82 0.08 0.00 -0.52 0.00 0.00 52.55 51.29 1jmh s ASP 290 Cb 0.00 -2.47 0.35 0.00 -1.46 0.00 0.00 42.92 39.34 1jmh s ASP 290 CO 0.00 -1.58 1.25 2.30 0.52 0.00 0.00 175.17 177.66 1jmh n ILE 291 N 6.10 1.40 0.06 4.11 -5.35 -1.26 -2.48 119.36 121.94 1jmh n ILE 291 Ca -0.00 0.35 -0.17 0.00 -0.27 0.00 0.00 62.75 62.65 1jmh n ILE 291 Cb 0.47 -1.21 -0.14 0.00 -1.74 0.00 0.00 39.64 37.01 1jmh n ILE 291 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 1jmh h PHE 292 N 0.00 0.47 0.00 4.28 0.04 -1.89 -3.25 116.94 116.59 1jmh h PHE 292 Ca 0.00 -0.35 0.00 0.00 2.80 0.00 0.00 57.97 60.42 1jmh h PHE 292 Cb 0.13 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.26 1jmh h PHE 292 CO 0.00 1.40 0.00 -0.25 -0.60 0.00 0.00 178.31 178.86 1jmh n ASP 293 N -3.46 0.00 -4.72 2.17 8.00 -1.03 -4.68 116.55 112.83 1jmh n ASP 293 Ca -0.17 -1.37 -0.32 0.00 0.71 0.00 0.00 54.79 53.63 1jmh n ASP 293 Cb 1.05 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 42.27 1jmh n ASP 293 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1jmh s PHE 294 N -2.00 2.02 0.06 1.24 0.40 -1.22 -5.07 117.98 113.42 1jmh s PHE 294 Ca 0.24 1.67 -0.07 0.00 -0.60 0.00 0.00 56.93 58.16 1jmh s PHE 294 Cb 0.11 -3.31 -0.01 0.00 0.51 0.00 0.00 43.02 40.32 1jmh s PHE 294 CO 0.19 -2.46 0.15 0.34 0.70 0.00 0.00 175.22 174.13 1jmh s ASP 295 N -2.61 0.15 0.20 1.36 2.15 -1.26 -5.07 116.67 111.59 1jmh s ASP 295 Ca 0.68 -0.60 -0.06 0.00 0.43 0.00 0.00 52.55 53.00 1jmh s ASP 295 Cb -0.23 0.29 0.32 0.00 -0.30 0.00 0.00 42.92 43.00 1jmh s ASP 295 CO 0.52 -0.63 1.11 0.23 -0.17 0.00 0.00 175.17 176.23 1jmh n MET 296 N 0.29 -0.07 -0.23 4.34 2.81 -1.26 -0.71 117.12 122.29 1jmh n MET 296 Ca -0.17 1.11 0.23 0.00 -1.81 0.00 0.00 57.70 57.07 1jmh n MET 296 Cb 0.61 -1.66 0.59 0.00 -0.71 0.00 0.00 33.22 32.05 1jmh n MET 296 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1jmh h LYS 297 N 0.00 0.25 -0.03 0.03 1.57 -2.03 -2.62 116.57 113.74 1jmh h LYS 297 Ca 0.34 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1jmh h LYS 297 Cb 0.52 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1jmh h LYS 297 CO -0.73 0.16 0.00 -0.25 -0.57 0.00 0.00 179.45 178.06 1jmh n ASP 298 N -4.44 0.29 -3.78 0.86 8.00 0.12 -4.69 116.55 112.90 1jmh n ASP 298 Ca 0.20 -1.46 -0.27 0.00 0.71 0.00 0.00 54.79 53.98 1jmh n ASP 298 Cb 0.83 -0.02 -0.17 0.00 -0.02 0.00 0.00 41.12 41.74 1jmh n ASP 298 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1jmh s ILE 299 N -1.97 0.63 0.07 0.53 1.01 -0.99 -0.99 121.20 119.50 1jmh s ILE 299 Ca 0.29 -0.41 0.09 0.00 0.00 0.00 0.00 60.65 60.62 1jmh s ILE 299 Cb 0.14 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 1jmh s ILE 299 CO 0.23 -0.02 -0.23 -0.54 0.00 0.00 0.00 174.94 174.38 1jmh s LYS 300 N 1.83 1.39 -0.13 2.79 1.02 0.49 -4.97 119.74 122.16 1jmh s LYS 300 Ca 0.01 -1.10 -0.03 0.00 0.02 0.00 0.00 55.97 54.87 1jmh s LYS 300 Cb -0.15 -1.62 -0.03 0.00 -0.52 0.00 0.00 37.83 35.51 1jmh s LYS 300 CO -0.07 0.40 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.54 1jmh s LEU 301 N -1.54 3.23 -0.03 3.17 2.96 -1.26 -0.19 118.68 125.02 1jmh s LEU 301 Ca 0.09 -0.10 0.05 0.00 -0.22 0.00 0.00 54.13 53.95 1jmh s LEU 301 Cb -0.10 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1jmh s LEU 301 CO 0.03 0.22 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.34 1jmh s LEU 302 N 0.06 2.53 -1.36 -0.68 1.43 0.12 -4.78 118.68 116.01 1jmh s LEU 302 Ca -0.00 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 52.73 1jmh s LEU 302 Cb -0.14 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.62 1jmh s LEU 302 CO 0.03 0.33 1.04 0.59 0.23 0.00 0.00 176.35 178.57 1jmh n ASN 303 N 2.25 -4.47 -4.48 2.29 4.13 -1.26 -0.37 115.26 113.34 1jmh n ASN 303 Ca -0.17 -0.65 -0.43 0.00 1.68 0.00 0.00 54.58 55.01 1jmh n ASN 303 Cb 0.52 -4.66 -0.06 0.00 -1.54 0.00 0.00 39.78 34.03 1jmh n ASN 303 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1jmh s TYR 304 N -3.37 3.04 -0.64 3.10 5.04 -1.26 -4.16 117.35 119.10 1jmh s TYR 304 Ca 0.41 -0.30 0.05 0.00 -2.44 0.00 0.00 57.07 54.79 1jmh s TYR 304 Cb -0.19 -3.46 0.16 0.00 0.35 0.00 0.00 41.96 38.82 1jmh s TYR 304 CO 0.76 -0.97 0.44 0.34 -1.34 0.00 0.00 175.55 174.78 1jmh s ASP 305 N 2.37 4.38 0.79 4.32 2.15 -1.26 -5.08 116.67 124.34 1jmh s ASP 305 Ca 0.19 -3.62 -0.08 0.00 0.43 0.00 0.00 52.55 49.48 1jmh s ASP 305 Cb -0.17 -1.49 0.12 0.00 -0.30 0.00 0.00 42.92 41.08 1jmh s ASP 305 CO 0.15 -0.12 1.10 -2.16 -0.17 0.00 0.00 175.17 173.97 1jmh s PRO 306 N -1.08 1.58 0.70 4.34 0.04 -1.26 -4.93 135.00 134.40 1jmh s PRO 306 Ca 0.24 -0.55 -0.10 0.00 0.04 0.00 0.00 61.00 60.63 1jmh s PRO 306 Cb -0.07 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.38 1jmh s PRO 306 CO -0.14 -1.65 1.06 0.71 0.04 0.00 0.00 177.00 177.02 1jmh s TYR 307 N -3.41 3.16 0.92 0.56 1.51 -0.07 -4.92 117.35 115.10 1jmh s TYR 307 Ca 0.66 0.81 -0.11 0.00 -1.01 0.00 0.00 57.07 57.42 1jmh s TYR 307 Cb -0.07 -3.11 0.15 0.00 -0.11 0.00 0.00 41.96 38.81 1jmh s TYR 307 CO 0.47 -1.27 1.11 -1.25 -1.11 0.00 0.00 175.55 173.50 1jmh s PRO 308 N -5.31 0.99 0.52 -1.71 0.04 -1.26 -2.71 135.00 125.56 1jmh s PRO 308 Ca 0.58 1.30 -0.21 0.00 0.04 0.00 0.00 61.00 62.71 1jmh s PRO 308 Cb -0.11 -1.74 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 1jmh s PRO 308 CO 0.49 -2.57 1.20 0.00 0.04 0.00 0.00 177.00 176.16 1jmh s ALA 309 N -2.70 2.80 -0.23 8.56 0.00 -1.26 -3.72 121.76 125.21 1jmh s ALA 309 Ca 0.66 1.00 -0.06 0.00 0.00 0.00 0.00 51.96 53.56 1jmh s ALA 309 Cb -0.21 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 1jmh s ALA 309 CO 0.58 -0.91 0.01 0.42 0.00 0.00 0.00 175.76 175.87 1jmh s ILE 310 N -1.56 3.88 0.03 0.00 1.01 -1.26 -4.92 121.20 118.38 1jmh s ILE 310 Ca 0.70 -0.32 -0.12 0.00 0.00 0.00 0.00 60.65 60.90 1jmh s ILE 310 Cb -0.30 -2.79 -0.06 0.00 0.01 0.00 0.00 42.46 39.33 1jmh s ILE 310 CO 0.35 0.39 0.40 -1.59 0.00 0.00 0.00 174.94 174.48 1jmh s LYS 311 N 1.45 3.83 -0.05 2.79 -2.85 -1.26 -5.07 119.74 118.58 1jmh s LYS 311 Ca 0.05 0.29 -0.20 0.00 -1.00 0.00 0.00 55.97 55.11 1jmh s LYS 311 Cb -0.15 -3.12 0.04 0.00 -2.06 0.00 0.00 37.83 32.55 1jmh s LYS 311 CO 0.01 0.64 0.46 0.00 0.10 0.00 0.00 175.35 176.55 1jmh s ALA 312 N -1.22 -1.18 0.01 0.59 0.00 -1.26 -4.96 121.76 113.74 1jmh s ALA 312 Ca 0.27 0.83 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 1jmh s ALA 312 Cb -0.15 -0.10 -0.06 0.00 0.00 0.00 0.00 23.12 22.81 1jmh s ALA 312 CO 0.15 -0.29 1.43 -1.25 0.00 0.00 0.00 175.76 175.80 1jmh s PRO 313 N -1.01 4.27 0.09 0.00 0.04 -1.26 -4.97 135.00 132.15 1jmh s PRO 313 Ca -0.10 2.01 -0.31 0.00 0.04 0.00 0.00 61.00 62.64 1jmh s PRO 313 Cb -0.03 -3.57 -0.07 0.00 0.04 0.00 0.00 34.50 30.86 1jmh s PRO 313 CO 0.05 -0.59 1.36 0.08 0.04 0.00 0.00 177.00 177.94 1jmh s VAL 314 N 2.42 3.50 -0.15 -0.36 1.01 -1.26 -4.86 120.40 120.70 1jmh s VAL 314 Ca 0.65 1.05 -0.23 0.00 0.00 0.00 0.00 61.98 63.45 1jmh s VAL 314 Cb -0.32 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 1jmh s VAL 314 CO 0.27 0.07 0.73 0.00 0.00 0.00 0.00 175.10 176.17 1jmh s ALA 315 N 1.31 3.47 0.00 5.51 0.00 -1.26 -5.12 121.76 125.67 1jmh s ALA 315 Ca 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1jmh s ALA 315 Cb -0.35 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1jmh s ALA 315 CO 0.29 -0.47 0.00 1.55 0.00 0.00 0.00 175.76 177.14