#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jjm s LEU 3 N 0.00 1.04 -0.52 -5.58 2.96 -1.26 -5.04 118.68 110.28 2jjm s LEU 3 Ca 0.00 0.46 -0.15 0.00 -0.22 0.00 0.00 54.13 54.22 2jjm s LEU 3 Cb 0.00 0.75 0.12 0.00 0.50 0.00 0.00 46.19 47.57 2jjm s LEU 3 CO 0.00 -0.09 0.46 -0.54 -1.32 0.00 0.00 176.35 174.86 2jjm s LYS 4 N 0.30 2.89 0.00 1.98 1.02 -1.26 -1.19 119.74 123.48 2jjm s LYS 4 Ca -0.01 -1.68 0.00 0.00 0.02 0.00 0.00 55.97 54.30 2jjm s LYS 4 Cb -0.03 -4.21 -0.04 0.00 -0.52 0.00 0.00 37.83 33.04 2jjm s LYS 4 CO -0.01 -1.27 0.06 0.42 -0.92 0.00 0.00 175.35 173.64 2jjm s ILE 5 N 1.56 4.60 -0.16 2.17 -1.09 -0.65 -0.58 121.20 127.04 2jjm s ILE 5 Ca 0.04 -0.47 0.01 0.00 -2.23 0.00 0.00 60.65 57.99 2jjm s ILE 5 Cb -0.29 -3.10 0.01 0.00 -1.58 0.00 0.00 42.46 37.50 2jjm s ILE 5 CO 0.03 0.34 -0.17 -0.83 -1.23 0.00 0.00 174.94 173.07 2jjm s GLY 6 N -1.74 1.43 -0.02 6.18 0.00 -0.33 -0.74 107.32 112.10 2jjm s GLY 6 Ca 0.23 -1.12 -0.00 0.00 0.00 0.00 0.00 44.72 43.82 2jjm s GLY 6 CO 0.14 0.12 0.06 -0.42 0.00 0.00 0.00 173.10 173.00 2jjm s ILE 7 N 1.02 4.60 -0.05 0.90 1.09 -0.90 0.24 121.20 128.10 2jjm s ILE 7 Ca -0.02 -0.41 0.01 0.00 -1.10 0.00 0.00 60.65 59.13 2jjm s ILE 7 Cb -0.15 -3.07 0.02 0.00 -1.06 0.00 0.00 42.46 38.21 2jjm s ILE 7 CO -0.05 0.39 -0.04 -0.89 -0.10 0.00 0.00 174.94 174.26 2jjm s THR 8 N -1.14 0.50 0.10 2.92 2.01 -0.74 -1.00 115.64 118.30 2jjm s THR 8 Ca 0.21 -0.07 -0.10 0.00 0.31 0.00 0.00 61.69 62.04 2jjm s THR 8 Cb -0.12 -0.55 0.03 0.00 0.01 0.00 0.00 72.50 71.88 2jjm s THR 8 CO 0.12 0.23 0.47 0.00 -0.69 0.00 0.00 174.62 174.75 2jjm s TYR 10 N -4.38 3.88 0.00 0.00 2.02 -1.26 -4.86 117.35 112.75 2jjm s TYR 10 Ca 0.10 -2.97 0.00 0.00 -0.37 0.00 0.00 57.07 53.83 2jjm s TYR 10 Cb -0.01 -3.28 0.00 0.00 -0.40 0.00 0.00 41.96 38.26 2jjm s TYR 10 CO 0.03 -0.76 0.00 -2.30 -1.57 0.00 0.00 175.55 170.95 2jjm n PRO 11 N 2.47 0.00 0.00 -1.71 -0.02 -1.26 -3.93 135.00 130.54 2jjm n PRO 11 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2jjm n PRO 11 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.85 2jjm n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jjm n GLY 14 N 0.00 -0.68 0.12 -1.23 0.00 -1.26 -4.78 105.19 97.36 2jjm n GLY 14 Ca 0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 2jjm n GLY 14 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jjm h GLY 15 N 0.00 0.34 0.15 -0.02 0.00 -2.01 -3.29 103.07 98.23 2jjm h GLY 15 Ca 0.00 -0.63 0.16 0.00 0.00 0.00 0.00 47.33 46.86 2jjm h GLY 15 CO 0.00 0.55 0.42 1.48 0.00 0.00 0.00 176.54 178.99 2jjm h SER 16 N -0.31 0.47 -0.08 0.19 4.64 -1.94 -2.28 113.55 114.25 2jjm h SER 16 Ca -0.07 0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2jjm h SER 16 Cb 1.25 0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2jjm h SER 16 CO 0.10 0.18 0.04 1.23 -0.87 0.00 0.00 176.83 177.50 2jjm h GLY 17 N 0.57 0.12 0.20 -0.77 0.00 -1.68 0.39 103.07 101.90 2jjm h GLY 17 Ca 0.47 -0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.78 2jjm h GLY 17 CO -0.39 0.06 -0.35 -2.08 0.00 0.00 0.00 176.54 173.77 2jjm h VAL 18 N 0.01 0.24 0.34 4.60 2.07 -1.50 0.12 116.25 122.14 2jjm h VAL 18 Ca 0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 2jjm h VAL 18 Cb 0.12 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2jjm h VAL 18 CO -0.00 0.00 -0.16 0.58 0.02 0.00 0.00 177.57 178.00 2jjm h VAL 19 N -0.49 0.68 -0.45 2.57 2.07 -1.30 -0.00 116.25 119.32 2jjm h VAL 19 Ca 0.07 -0.11 0.09 0.00 0.82 0.00 0.00 66.70 67.57 2jjm h VAL 19 Cb 0.59 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 31.01 2jjm h VAL 19 CO -0.31 0.02 -0.10 1.23 0.02 0.00 0.00 177.57 178.43 2jjm h GLY 20 N -0.52 0.34 0.93 2.17 0.00 -0.05 0.53 103.07 106.47 2jjm h GLY 20 Ca -0.05 0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2jjm h GLY 20 CO 0.08 -0.17 0.13 -0.84 0.00 0.00 0.00 176.54 175.74 2jjm h THR 21 N 0.01 1.16 -0.57 4.70 2.02 -0.66 -1.55 112.91 118.02 2jjm h THR 21 Ca 0.22 -0.46 -0.07 0.00 0.77 0.00 0.00 66.41 66.86 2jjm h THR 21 Cb 0.33 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 2jjm h THR 21 CO -0.46 0.16 0.07 -0.08 0.37 0.00 0.00 175.52 175.59 2jjm h GLU 22 N 0.33 0.96 -0.91 6.66 4.57 -0.36 -0.94 114.58 124.90 2jjm h GLU 22 Ca 0.10 -0.27 0.06 0.00 -1.18 0.00 0.00 59.36 58.07 2jjm h GLU 22 Cb 0.13 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 28.56 2jjm h GLU 22 CO -0.01 0.92 0.59 1.25 -1.18 0.00 0.00 179.01 180.58 2jjm h LEU 23 N 0.85 0.92 -0.39 1.64 5.85 0.27 0.26 115.31 124.71 2jjm h LEU 23 Ca 0.17 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.73 2jjm h LEU 23 Cb 0.44 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 2jjm h LEU 23 CO 0.01 0.60 -0.46 1.23 -0.34 0.00 0.00 178.44 179.48 2jjm h GLY 24 N 1.05 0.94 0.93 3.75 0.00 -0.75 -1.06 103.07 107.93 2jjm h GLY 24 Ca 0.39 -1.02 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 2jjm h GLY 24 CO -0.14 0.92 0.05 1.70 0.00 0.00 0.00 176.54 179.08 2jjm h LYS 25 N 0.69 0.14 0.46 4.80 3.64 -0.40 -1.12 116.57 124.78 2jjm h LYS 25 Ca 0.04 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2jjm h LYS 25 Cb 1.05 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 2jjm h LYS 25 CO 0.11 0.18 -0.32 1.96 -2.27 0.00 0.00 179.45 179.11 2jjm h GLN 26 N 0.06 -0.73 -0.87 1.90 1.08 -0.90 -1.94 115.11 113.71 2jjm h GLN 26 Ca 0.04 0.05 0.21 0.00 -1.45 0.00 0.00 58.65 57.49 2jjm h GLN 26 Cb 0.08 0.17 -0.06 0.00 -0.05 0.00 0.00 27.48 27.62 2jjm h GLN 26 CO -0.01 -0.49 0.59 -0.07 -0.95 0.00 0.00 178.83 177.90 2jjm h LEU 27 N -0.76 0.33 0.01 1.46 3.38 -1.15 -0.91 115.31 117.67 2jjm h LEU 27 Ca -0.05 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jjm h LEU 27 Cb 0.64 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2jjm h LEU 27 CO 0.03 0.13 -0.01 0.00 0.09 0.00 0.00 178.44 178.68 2jjm h ALA 28 N 1.61 -0.02 -0.05 1.53 0.00 -0.64 -2.56 119.26 119.13 2jjm h ALA 28 Ca 0.45 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.20 2jjm h ALA 28 Cb 1.22 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2jjm h ALA 28 CO -0.14 -0.34 0.14 0.93 0.00 0.00 0.00 179.25 179.83 2jjm h GLU 29 N -0.36 0.00 -0.43 0.00 5.08 -0.44 0.24 114.58 118.67 2jjm h GLU 29 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jjm h GLU 29 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2jjm h GLU 29 CO 0.00 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.55 2jjm n ARG 30 N -3.28 1.97 -0.13 2.33 1.74 -0.89 -4.89 116.66 113.50 2jjm n ARG 30 Ca -0.02 -1.22 0.00 0.00 -0.77 0.00 0.00 57.85 55.85 2jjm n ARG 30 Cb 0.21 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 2jjm n ARG 30 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jjm n GLY 31 N 0.86 0.85 3.81 -0.13 0.00 0.86 -4.65 105.19 106.78 2jjm n GLY 31 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2jjm n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jjm s HIS 32 N -2.46 3.05 -0.43 1.61 3.76 -1.03 -3.80 115.29 115.99 2jjm s HIS 32 Ca 0.00 1.46 -0.12 0.00 -0.15 0.00 0.00 55.06 56.25 2jjm s HIS 32 Cb 0.00 -2.93 0.07 0.00 1.11 0.00 0.00 32.58 30.83 2jjm s HIS 32 CO 0.00 -1.20 0.30 -2.00 -0.85 0.00 0.00 174.74 171.00 2jjm s GLU 33 N -4.66 2.78 -0.02 1.40 2.12 -0.33 -4.42 118.70 115.57 2jjm s GLU 33 Ca 0.60 -1.36 -0.16 0.00 0.36 0.00 0.00 54.97 54.41 2jjm s GLU 33 Cb -0.15 -3.91 -0.05 0.00 0.26 0.00 0.00 34.13 30.28 2jjm s GLU 33 CO 0.48 -0.94 0.45 0.42 -0.54 0.00 0.00 175.26 175.12 2jjm s ILE 34 N 1.53 5.02 -0.35 -3.70 1.09 -0.52 -1.64 121.20 122.62 2jjm s ILE 34 Ca 0.03 0.92 0.01 0.00 -1.10 0.00 0.00 60.65 60.52 2jjm s ILE 34 Cb -0.23 -3.76 0.11 0.00 -1.06 0.00 0.00 42.46 37.52 2jjm s ILE 34 CO 0.05 0.51 0.12 -1.00 -0.10 0.00 0.00 174.94 174.52 2jjm s HIS 35 N -0.67 2.47 -0.10 3.97 3.76 0.08 -1.24 115.29 123.56 2jjm s HIS 35 Ca 0.25 -2.33 -0.30 0.00 -0.15 0.00 0.00 55.06 52.54 2jjm s HIS 35 Cb -0.17 -2.18 -0.03 0.00 1.11 0.00 0.00 32.58 31.31 2jjm s HIS 35 CO 0.13 -0.88 1.29 -0.06 -0.85 0.00 0.00 174.74 174.38 2jjm s PHE 36 N 1.07 2.89 -0.47 1.40 0.08 -0.27 -2.12 117.98 120.56 2jjm s PHE 36 Ca 0.12 0.99 0.00 0.00 0.12 0.00 0.00 56.93 58.16 2jjm s PHE 36 Cb -0.20 -3.53 0.12 0.00 -0.57 0.00 0.00 43.02 38.85 2jjm s PHE 36 CO -0.14 -1.84 0.23 0.42 -0.10 0.00 0.00 175.22 173.79 2jjm s ILE 37 N 2.97 3.00 -0.28 0.64 1.01 -0.17 -0.61 121.20 127.76 2jjm s ILE 37 Ca 0.58 -2.61 -0.24 0.00 0.00 0.00 0.00 60.65 58.38 2jjm s ILE 37 Cb -0.25 -3.06 0.10 0.00 0.01 0.00 0.00 42.46 39.26 2jjm s ILE 37 CO 0.20 -0.74 0.90 0.28 0.00 0.00 0.00 174.94 175.58 2jjm s THR 38 N 0.49 0.00 -0.67 2.92 -1.32 -0.90 -4.45 115.64 111.71 2jjm s THR 38 Ca 0.13 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.37 2jjm s THR 38 Cb -0.22 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.83 2jjm s THR 38 CO -0.04 0.00 1.02 -0.94 -2.21 0.00 0.00 174.62 172.45 2jjm s SER 39 N 0.48 6.18 0.00 8.08 1.04 -1.26 -4.33 113.70 123.89 2jjm s SER 39 Ca 0.00 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.60 2jjm s SER 39 Cb -0.05 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.62 2jjm s SER 39 CO -0.06 -1.50 0.00 0.61 0.98 0.00 0.00 173.24 173.27 2jjm n GLY 40 N 5.32 -0.73 2.55 7.32 0.00 -1.26 -4.94 105.19 113.45 2jjm n GLY 40 Ca -0.02 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 2jjm n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jjm s LEU 41 N 0.00 0.43 0.00 0.99 1.43 -1.26 -5.07 118.68 115.19 2jjm s LEU 41 Ca 0.00 -2.45 0.00 0.00 -1.03 0.00 0.00 54.13 50.65 2jjm s LEU 41 Cb 0.00 0.31 0.00 0.00 0.03 0.00 0.00 46.19 46.53 2jjm s LEU 41 CO 0.00 -0.16 0.40 -2.65 0.23 0.00 0.00 176.35 174.17 2jjm n PRO 42 N 3.17 0.00 0.00 1.29 -0.02 -1.26 -4.95 135.00 133.23 2jjm n PRO 42 Ca 0.23 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2jjm n PRO 42 Cb 0.49 -0.93 0.00 0.00 -0.02 0.00 0.00 33.50 33.04 2jjm n PRO 42 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2jjm n LYS 47 N -0.76 0.00 -3.70 -0.52 4.81 -1.26 -5.11 118.16 111.63 2jjm n LYS 47 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.28 2jjm n LYS 47 Cb 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 34.90 2jjm n LYS 47 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2jjm s VAL 48 N -0.09 -0.17 -0.15 3.15 0.11 -1.26 -5.15 120.40 116.84 2jjm s VAL 48 Ca 0.00 0.29 -0.06 0.00 -2.93 0.00 0.00 61.98 59.28 2jjm s VAL 48 Cb 0.00 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.55 2jjm s VAL 48 CO 0.00 0.12 0.04 -0.31 -3.33 0.00 0.00 175.10 171.63 2jjm s TYR 49 N 1.85 3.24 -0.35 1.54 2.02 -1.26 -4.99 117.35 119.40 2jjm s TYR 49 Ca -0.02 0.09 0.25 0.00 -0.37 0.00 0.00 57.07 57.02 2jjm s TYR 49 Cb -0.12 -2.00 1.08 0.00 -0.40 0.00 0.00 41.96 40.53 2jjm s TYR 49 CO -0.06 0.24 1.75 -1.35 -1.57 0.00 0.00 175.55 174.57 2jjm h PRO 50 N 6.24 0.00 -0.28 -1.71 0.11 -2.01 -3.05 132.00 131.30 2jjm h PRO 50 Ca -0.40 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.66 2jjm h PRO 50 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2jjm h PRO 50 CO 0.65 0.00 -0.00 0.27 -0.21 0.00 0.00 178.00 178.71 2jjm n ASN 51 N -2.37 3.50 -3.89 -2.05 6.94 -1.26 -4.90 115.26 111.23 2jjm n ASN 51 Ca 0.01 -3.20 -0.28 0.00 -0.02 0.00 0.00 54.58 51.09 2jjm n ASN 51 Cb 0.21 -0.56 -0.16 0.00 -2.36 0.00 0.00 39.78 36.90 2jjm n ASN 51 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2jjm s ILE 52 N -2.93 1.13 0.06 1.53 1.01 -1.16 -1.44 121.20 119.41 2jjm s ILE 52 Ca 0.42 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 60.45 2jjm s ILE 52 Cb 0.36 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 2jjm s ILE 52 CO 0.07 0.11 -0.02 -0.31 0.00 0.00 0.00 174.94 174.79 2jjm s TYR 53 N 1.62 2.97 -0.21 3.97 2.02 -0.37 -4.82 117.35 122.53 2jjm s TYR 53 Ca 0.00 -0.02 -0.00 0.00 -0.37 0.00 0.00 57.07 56.68 2jjm s TYR 53 Cb -0.15 -1.56 0.02 0.00 -0.40 0.00 0.00 41.96 39.86 2jjm s TYR 53 CO -0.08 0.46 -0.13 -0.06 -1.57 0.00 0.00 175.55 174.17 2jjm s PHE 54 N -1.22 2.92 -0.11 2.71 0.08 -1.26 -1.12 117.98 119.98 2jjm s PHE 54 Ca 0.23 -1.55 -0.02 0.00 0.12 0.00 0.00 56.93 55.71 2jjm s PHE 54 Cb -0.12 -1.99 -0.03 0.00 -0.57 0.00 0.00 43.02 40.32 2jjm s PHE 54 CO 0.15 -0.75 -0.03 -1.01 -0.10 0.00 0.00 175.22 173.48 2jjm s HIS 55 N 1.32 3.04 0.04 0.36 3.76 0.22 -4.98 115.29 119.04 2jjm s HIS 55 Ca 0.03 -0.06 0.09 0.00 -0.15 0.00 0.00 55.06 54.97 2jjm s HIS 55 Cb -0.15 -1.84 -0.03 0.00 1.11 0.00 0.00 32.58 31.68 2jjm s HIS 55 CO -0.08 0.22 -0.25 -2.00 -0.85 0.00 0.00 174.74 171.78 2jjm s GLU 56 N -0.34 1.73 -0.30 1.40 -6.30 -1.26 -2.11 118.70 111.51 2jjm s GLU 56 Ca 0.06 -1.03 -0.27 0.00 -2.50 0.00 0.00 54.97 51.22 2jjm s GLU 56 Cb -0.12 -1.85 0.01 0.00 0.00 0.00 0.00 34.13 32.16 2jjm s GLU 56 CO 0.02 0.48 0.99 0.08 0.02 0.00 0.00 175.26 176.85 2jjm s VAL 57 N -0.77 4.62 -0.18 3.70 1.01 -1.26 -4.91 120.40 122.61 2jjm s VAL 57 Ca 0.10 1.61 -0.08 0.00 0.00 0.00 0.00 61.98 63.61 2jjm s VAL 57 Cb -0.10 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2jjm s VAL 57 CO 0.02 -0.37 0.10 0.42 0.00 0.00 0.00 175.10 175.26 2jjm s THR 58 N 3.39 5.12 0.36 3.92 -4.23 -1.26 -4.72 115.64 118.22 2jjm s THR 58 Ca 0.41 0.08 0.08 0.00 -1.18 0.00 0.00 61.69 61.09 2jjm s THR 58 Cb -0.13 -3.30 -0.06 0.00 1.34 0.00 0.00 72.50 70.35 2jjm s THR 58 CO 0.13 0.48 0.05 -0.69 -0.54 0.00 0.00 174.62 174.05 2jjm s VAL 59 N 0.11 2.50 0.00 2.29 1.01 -1.26 -5.01 120.40 120.04 2jjm s VAL 59 Ca 0.07 -1.92 0.00 0.00 0.00 0.00 0.00 61.98 60.14 2jjm s VAL 59 Cb -0.12 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2jjm s VAL 59 CO -0.00 -0.14 0.00 0.59 0.00 0.00 0.00 175.10 175.55 2jjm n ASN 60 N -1.02 0.00 0.00 3.32 4.13 -1.26 -5.14 115.26 115.29 2jjm n ASN 60 Ca -0.04 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.22 2jjm n ASN 60 Cb 0.63 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.87 2jjm n ASN 60 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2jjm n PHE 65 N -0.14 0.00 0.09 3.10 3.72 -1.26 -5.05 117.46 117.92 2jjm n PHE 65 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.29 2jjm n PHE 65 Cb 0.00 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.47 2jjm n PHE 65 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2jjm h GLN 66 N 0.00 -0.29 -4.70 -1.08 1.08 -2.12 -3.46 115.11 104.54 2jjm h GLN 66 Ca 0.00 0.02 -0.37 0.00 -1.45 0.00 0.00 58.65 56.85 2jjm h GLN 66 Cb 0.00 0.07 -0.27 0.00 -0.05 0.00 0.00 27.48 27.23 2jjm h GLN 66 CO 0.00 0.09 -0.77 0.71 -0.95 0.00 0.00 178.83 177.91 2jjm s TYR 67 N -3.73 0.78 -0.08 2.96 2.02 -1.26 -5.11 117.35 112.93 2jjm s TYR 67 Ca -0.13 -0.22 -0.29 0.00 -0.37 0.00 0.00 57.07 56.06 2jjm s TYR 67 Cb 0.01 -0.49 -0.06 0.00 -0.40 0.00 0.00 41.96 41.02 2jjm s TYR 67 CO 0.47 -0.02 1.92 -1.25 -1.57 0.00 0.00 175.55 175.10 2jjm s PRO 68 N -0.54 3.86 -0.29 -1.71 0.04 -1.26 -4.85 135.00 130.24 2jjm s PRO 68 Ca 0.01 2.25 -0.21 0.00 0.04 0.00 0.00 61.00 63.10 2jjm s PRO 68 Cb -0.05 -4.16 -0.22 0.00 0.04 0.00 0.00 34.50 30.11 2jjm s PRO 68 CO 0.00 -1.26 1.62 -2.30 0.04 0.00 0.00 177.00 175.10 2jjm n PRO 69 N 7.78 0.59 -0.29 0.56 -0.02 -1.26 -4.66 135.00 137.69 2jjm n PRO 69 Ca 0.22 -1.17 -0.05 0.00 -2.02 0.00 0.00 63.50 60.47 2jjm n PRO 69 Cb 0.43 -2.51 0.07 0.00 -0.02 0.00 0.00 33.50 31.46 2jjm n PRO 69 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2jjm h TYR 70 N 8.75 1.18 0.79 6.00 3.20 -1.98 0.48 116.97 135.40 2jjm h TYR 70 Ca 0.28 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 2jjm h TYR 70 Cb 0.51 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.43 2jjm h TYR 70 CO 1.34 0.88 -0.44 -0.44 -1.64 0.00 0.00 178.16 177.86 2jjm h ASP 71 N 1.15 -1.07 -0.83 -2.11 3.32 -2.00 0.85 116.42 115.74 2jjm h ASP 71 Ca 0.27 0.05 0.12 0.00 0.02 0.00 0.00 57.03 57.49 2jjm h ASP 71 Cb 0.16 0.30 -0.08 0.00 0.22 0.00 0.00 39.33 39.93 2jjm h ASP 71 CO -0.03 -0.70 0.45 -0.07 -1.72 0.00 0.00 179.24 177.17 2jjm h LEU 72 N -1.13 0.59 -0.87 1.55 4.07 -1.94 0.18 115.31 117.75 2jjm h LEU 72 Ca -0.11 0.07 0.01 0.00 0.08 0.00 0.00 57.88 57.93 2jjm h LEU 72 Cb 0.89 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.55 2jjm h LEU 72 CO 0.14 0.30 0.57 0.00 -1.08 0.00 0.00 178.44 178.37 2jjm h ALA 73 N 1.50 1.11 -0.56 1.53 0.00 -0.61 0.52 119.26 122.75 2jjm h ALA 73 Ca 0.42 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 2jjm h ALA 73 Cb 0.49 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2jjm h ALA 73 CO -0.30 0.53 -0.08 1.25 0.00 0.00 0.00 179.25 180.65 2jjm h LEU 74 N 1.19 1.04 -0.31 0.00 5.85 0.72 -1.01 115.31 122.78 2jjm h LEU 74 Ca 0.32 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2jjm h LEU 74 Cb -0.12 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.62 2jjm h LEU 74 CO -0.07 1.13 0.19 0.00 -0.34 0.00 0.00 178.44 179.35 2jjm h ALA 75 N 0.94 0.39 -0.62 1.25 0.00 -0.49 -0.15 119.26 120.58 2jjm h ALA 75 Ca 0.15 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2jjm h ALA 75 Cb 0.65 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2jjm h ALA 75 CO 0.04 -0.11 0.37 1.03 0.00 0.00 0.00 179.25 180.59 2jjm h SER 76 N 0.40 0.60 -0.29 0.00 0.87 -0.61 -1.17 113.55 113.34 2jjm h SER 76 Ca 0.11 0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.55 2jjm h SER 76 Cb 0.01 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2jjm h SER 76 CO -0.02 0.41 -0.30 0.50 -0.53 0.00 0.00 176.83 176.89 2jjm h LYS 77 N 0.73 0.81 0.20 2.24 1.63 -0.90 -0.16 116.57 121.13 2jjm h LYS 77 Ca 0.26 -0.37 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 2jjm h LYS 77 Cb 0.05 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 2jjm h LYS 77 CO -0.12 1.00 -0.19 0.52 -3.45 0.00 0.00 179.45 177.21 2jjm h MET 78 N 0.69 -0.40 -0.46 1.90 2.86 -0.62 0.15 114.93 119.05 2jjm h MET 78 Ca 0.08 0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.81 2jjm h MET 78 Cb 0.84 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.53 2jjm h MET 78 CO 0.07 -0.27 0.12 0.00 1.06 0.00 0.00 176.91 177.90 2jjm h ALA 79 N 0.33 0.53 0.37 6.32 0.00 -1.03 0.27 119.26 126.04 2jjm h ALA 79 Ca -0.00 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2jjm h ALA 79 Cb 0.38 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2jjm h ALA 79 CO -0.04 -0.28 -0.18 1.49 0.00 0.00 0.00 179.25 180.25 2jjm h GLU 80 N 0.27 -0.48 -0.98 0.00 4.81 -0.66 -2.39 114.58 115.15 2jjm h GLU 80 Ca 0.22 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 2jjm h GLU 80 Cb 0.26 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 2jjm h GLU 80 CO -0.27 -0.26 0.65 0.28 -0.73 0.00 0.00 179.01 178.69 2jjm h VAL 81 N -0.60 1.23 0.38 0.32 2.07 -0.46 -1.63 116.25 117.56 2jjm h VAL 81 Ca -0.05 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 2jjm h VAL 81 Cb 0.44 -0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 2jjm h VAL 81 CO 0.08 0.24 -0.50 0.00 0.02 0.00 0.00 177.57 177.41 2jjm h ALA 82 N 1.37 -1.06 0.00 1.67 0.00 -0.28 -0.17 119.26 120.79 2jjm h ALA 82 Ca 0.37 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2jjm h ALA 82 Cb -0.11 0.76 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2jjm h ALA 82 CO -0.09 -1.14 0.00 -0.56 0.00 0.00 0.00 179.25 177.46 2jjm h GLN 83 N -0.91 0.00 -0.00 0.00 3.07 -1.37 0.51 115.11 116.41 2jjm h GLN 83 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.66 2jjm h GLN 83 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.39 2jjm h GLN 83 CO -0.13 0.00 -0.14 -0.09 0.09 0.00 0.00 178.83 178.56 2jjm h ARG 84 N 0.00 0.10 -0.01 0.06 2.43 -1.09 -3.29 114.38 112.58 2jjm h ARG 84 Ca 0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2jjm h ARG 84 Cb 0.87 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 2jjm h ARG 84 CO 0.00 0.85 -0.18 0.39 -1.51 0.00 0.00 179.97 179.51 2jjm n GLU 85 N -4.60 0.99 -3.46 0.20 -0.58 -0.10 -4.97 120.64 108.12 2jjm n GLU 85 Ca -0.09 -0.55 -0.22 0.00 -0.42 0.00 0.00 57.16 55.87 2jjm n GLU 85 Cb 0.44 -1.49 0.06 0.00 -0.57 0.00 0.00 31.44 29.88 2jjm n GLU 85 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2jjm n ASN 86 N -0.53 -5.54 -4.78 1.62 2.85 0.07 -4.96 115.26 104.00 2jjm n ASN 86 Ca 0.14 -0.84 -0.34 0.00 -0.11 0.00 0.00 54.58 53.43 2jjm n ASN 86 Cb 0.34 -4.38 0.02 0.00 1.24 0.00 0.00 39.78 36.99 2jjm n ASN 86 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2jjm s LEU 87 N -5.96 3.61 -0.23 1.20 1.43 -0.59 -4.87 118.68 113.27 2jjm s LEU 87 Ca 0.42 2.08 -0.16 0.00 -1.03 0.00 0.00 54.13 55.44 2jjm s LEU 87 Cb -0.10 -4.57 -0.11 0.00 0.03 0.00 0.00 46.19 41.44 2jjm s LEU 87 CO 0.79 -1.34 -0.24 0.47 0.23 0.00 0.00 176.35 176.26 2jjm n ASP 88 N -1.72 1.92 -4.43 2.29 8.00 0.26 -4.82 116.55 118.05 2jjm n ASP 88 Ca 0.11 0.38 -0.29 0.00 0.71 0.00 0.00 54.79 55.69 2jjm n ASP 88 Cb 0.51 -0.83 -0.12 0.00 -0.02 0.00 0.00 41.12 40.66 2jjm n ASP 88 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jjm s ILE 89 N -2.55 2.50 -0.28 0.53 1.09 -1.18 -1.86 121.20 119.46 2jjm s ILE 89 Ca -0.33 -1.63 0.01 0.00 -1.10 0.00 0.00 60.65 57.60 2jjm s ILE 89 Cb 0.10 -2.12 0.08 0.00 -1.06 0.00 0.00 42.46 39.46 2jjm s ILE 89 CO 0.47 0.11 0.01 -0.22 -0.10 0.00 0.00 174.94 175.22 2jjm s LEU 90 N -2.04 2.98 -0.32 2.97 2.96 0.07 -1.19 118.68 124.11 2jjm s LEU 90 Ca 0.15 -1.52 -0.11 0.00 -0.22 0.00 0.00 54.13 52.44 2jjm s LEU 90 Cb -0.10 -1.19 -0.01 0.00 0.50 0.00 0.00 46.19 45.39 2jjm s LEU 90 CO 0.07 -0.32 0.18 -2.28 -1.32 0.00 0.00 176.35 172.69 2jjm s HIS 91 N 1.35 3.20 0.12 5.38 5.65 0.14 -0.93 115.29 130.19 2jjm s HIS 91 Ca 0.02 -0.45 0.07 0.00 0.25 0.00 0.00 55.06 54.95 2jjm s HIS 91 Cb -0.18 -2.39 -0.04 0.00 -1.18 0.00 0.00 32.58 28.78 2jjm s HIS 91 CO -0.12 -0.42 -0.05 0.08 -0.65 0.00 0.00 174.74 173.58 2jjm s VAL 92 N 1.65 3.63 -0.04 0.89 1.01 0.14 -1.79 120.40 125.89 2jjm s VAL 92 Ca 0.05 -1.24 0.06 0.00 0.00 0.00 0.00 61.98 60.85 2jjm s VAL 92 Cb -0.17 -2.74 -0.08 0.00 0.00 0.00 0.00 36.38 33.39 2jjm s VAL 92 CO 0.08 0.06 0.07 1.41 0.00 0.00 0.00 175.10 176.71 2jjm n HIS 93 N 0.45 0.00 -3.57 5.22 8.25 -0.18 -1.63 115.22 123.76 2jjm n HIS 93 Ca -0.12 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.12 2jjm n HIS 93 Cb 0.53 -0.22 -0.01 0.00 1.12 0.00 0.00 29.99 31.41 2jjm n HIS 93 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2jjm s TYR 94 N -2.27 2.10 -0.17 4.41 5.04 -1.26 -4.58 117.35 120.62 2jjm s TYR 94 Ca -0.03 -0.66 -0.22 0.00 -2.44 0.00 0.00 57.07 53.72 2jjm s TYR 94 Cb 0.03 -2.09 -0.20 0.00 0.35 0.00 0.00 41.96 40.05 2jjm s TYR 94 CO 0.25 -0.44 0.40 0.00 -1.34 0.00 0.00 175.55 174.42 2jjm h ALA 95 N 0.77 0.12 -2.78 3.97 0.00 -1.92 -3.37 119.26 116.06 2jjm h ALA 95 Ca -0.38 -0.80 -0.63 0.00 0.00 0.00 0.00 54.91 53.11 2jjm h ALA 95 Cb 1.28 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 19.38 2jjm h ALA 95 CO 0.54 0.36 -0.34 0.42 0.00 0.00 0.00 179.25 180.24 2jjm s ILE 96 N -2.24 5.27 -0.22 0.00 -1.09 -1.26 -1.02 121.20 120.64 2jjm s ILE 96 Ca -0.22 0.53 0.19 0.00 -2.23 0.00 0.00 60.65 58.93 2jjm s ILE 96 Cb 0.02 -3.58 0.04 0.00 -1.58 0.00 0.00 42.46 37.35 2jjm s ILE 96 CO 0.57 0.54 1.18 -0.65 -1.23 0.00 0.00 174.94 175.35 2jjm h PRO 97 N 5.34 0.00 -0.58 2.79 0.11 -2.02 -3.47 132.00 134.16 2jjm h PRO 97 Ca -0.50 0.00 0.21 0.00 0.11 0.00 0.00 66.00 65.82 2jjm h PRO 97 Cb 1.21 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.21 2jjm h PRO 97 CO 0.64 0.20 0.19 0.72 -0.21 0.00 0.00 178.00 179.54 2jjm n HIS 98 N -2.94 0.55 0.14 0.65 8.25 -1.22 -0.34 115.22 120.31 2jjm n HIS 98 Ca -0.02 0.69 -0.14 0.00 -0.26 0.00 0.00 57.72 57.99 2jjm n HIS 98 Cb 0.67 -1.05 -0.08 0.00 1.12 0.00 0.00 29.99 30.66 2jjm n HIS 98 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jjm h ALA 99 N 1.16 -0.31 -0.41 -1.41 0.00 -1.23 -0.23 119.26 116.82 2jjm h ALA 99 Ca 0.43 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 2jjm h ALA 99 Cb 1.06 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2jjm h ALA 99 CO -0.49 -0.63 -0.08 0.82 0.00 0.00 0.00 179.25 178.87 2jjm h ILE 100 N -0.40 1.25 -0.64 0.00 5.03 -0.84 -1.80 117.51 120.11 2jjm h ILE 100 Ca -0.03 -1.08 -0.02 0.00 -0.12 0.00 0.00 64.86 63.61 2jjm h ILE 100 Cb 0.31 1.03 -0.03 0.00 -3.03 0.00 0.00 36.82 35.09 2jjm h ILE 100 CO 0.05 0.37 0.33 0.00 -0.68 0.00 0.00 178.15 178.22 2jjm h ALA 102 N 1.15 1.39 0.21 0.00 0.00 -0.79 -0.99 119.26 120.24 2jjm h ALA 102 Ca 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2jjm h ALA 102 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jjm h ALA 102 CO -0.03 0.43 -0.10 -0.92 0.00 0.00 0.00 179.25 178.62 2jjm h TYR 103 N 0.17 -0.26 -0.34 0.00 3.20 -0.44 -1.17 116.97 118.11 2jjm h TYR 103 Ca 0.03 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.95 2jjm h TYR 103 Cb 0.54 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.84 2jjm h TYR 103 CO 0.01 -0.03 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.42 2jjm h LEU 104 N -0.46 -0.15 -0.43 2.82 3.38 -1.12 -0.57 115.31 118.77 2jjm h LEU 104 Ca -0.03 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.11 2jjm h LEU 104 Cb 0.35 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.17 2jjm h LEU 104 CO 0.05 -0.04 -0.05 0.00 0.09 0.00 0.00 178.44 178.49 2jjm h ALA 105 N 1.30 0.35 0.21 1.53 0.00 -1.08 0.27 119.26 121.85 2jjm h ALA 105 Ca 0.17 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2jjm h ALA 105 Cb 0.23 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2jjm h ALA 105 CO -0.28 -0.42 -0.21 -0.22 0.00 0.00 0.00 179.25 178.12 2jjm h LYS 106 N 0.06 -0.44 -0.81 0.00 3.64 -0.55 -1.06 116.57 117.41 2jjm h LYS 106 Ca 0.21 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.66 2jjm h LYS 106 Cb 0.32 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.19 2jjm h LYS 106 CO -0.40 -0.29 0.53 1.96 -2.27 0.00 0.00 179.45 178.98 2jjm h GLN 107 N -0.46 0.95 -0.06 1.90 1.08 -0.59 0.27 115.11 118.20 2jjm h GLN 107 Ca -0.00 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.04 2jjm h GLN 107 Cb 0.43 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2jjm h GLN 107 CO -0.05 0.63 -0.41 0.52 -0.95 0.00 0.00 178.83 178.56 2jjm h MET 108 N 0.98 0.13 -0.91 1.46 2.86 0.09 -3.06 114.93 116.47 2jjm h MET 108 Ca 0.33 -0.06 -0.46 0.00 -2.06 0.00 0.00 59.70 57.45 2jjm h MET 108 Cb 0.07 -0.00 -0.27 0.00 0.06 0.00 0.00 31.60 31.46 2jjm h MET 108 CO -0.10 0.52 0.55 0.44 1.06 0.00 0.00 176.91 179.39 2jjm n ILE 109 N -4.03 3.12 -1.73 -1.22 -5.35 -0.45 -4.90 119.36 104.79 2jjm n ILE 109 Ca -0.02 -1.97 -0.13 0.00 -0.27 0.00 0.00 62.75 60.37 2jjm n ILE 109 Cb 0.46 -0.44 -0.04 0.00 -1.74 0.00 0.00 39.64 37.88 2jjm n ILE 109 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jjm n GLY 110 N -1.04 0.74 2.44 3.28 0.00 -1.12 -3.25 105.19 106.23 2jjm n GLY 110 Ca 0.56 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 2jjm n GLY 110 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jjm n GLU 111 N -2.47 -1.13 -1.24 1.61 1.02 0.89 -4.90 120.64 114.43 2jjm n GLU 111 Ca -0.14 1.01 -0.20 0.00 -0.02 0.00 0.00 57.16 57.81 2jjm n GLU 111 Cb 0.50 -5.22 -0.08 0.00 -0.02 0.00 0.00 31.44 26.62 2jjm n GLU 111 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2jjm n ARG 112 N -2.54 2.16 -3.52 3.49 1.74 -1.20 -4.84 116.66 111.94 2jjm n ARG 112 Ca -0.16 -1.76 -0.13 0.00 -0.77 0.00 0.00 57.85 55.03 2jjm n ARG 112 Cb 0.54 -1.99 -0.04 0.00 -1.02 0.00 0.00 32.46 29.94 2jjm n ARG 112 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2jjm s ILE 113 N -1.19 0.00 -0.18 0.55 -1.16 -1.26 -4.93 121.20 113.02 2jjm s ILE 113 Ca 0.56 0.00 -0.05 0.00 -0.51 0.00 0.00 60.65 60.65 2jjm s ILE 113 Cb 0.33 -1.00 -0.03 0.00 0.61 0.00 0.00 42.46 42.37 2jjm s ILE 113 CO -0.12 0.00 -0.00 -0.54 -2.81 0.00 0.00 174.94 171.46 2jjm s LYS 114 N -1.86 3.69 -0.19 3.50 -0.14 -0.78 -5.01 119.74 118.95 2jjm s LYS 114 Ca -0.03 -0.49 -0.13 0.00 -1.36 0.00 0.00 55.97 53.96 2jjm s LYS 114 Cb -0.00 -3.05 -0.05 0.00 -1.68 0.00 0.00 37.83 33.05 2jjm s LYS 114 CO 0.00 0.13 0.28 0.42 -0.76 0.00 0.00 175.35 175.42 2jjm s ILE 115 N 0.68 5.30 -0.20 2.17 1.01 -1.26 -0.75 121.20 128.15 2jjm s ILE 115 Ca -0.00 0.47 0.00 0.00 0.00 0.00 0.00 60.65 61.12 2jjm s ILE 115 Cb -0.14 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.74 2jjm s ILE 115 CO 0.02 0.34 -0.15 -0.69 0.00 0.00 0.00 174.94 174.46 2jjm s VAL 116 N 0.84 2.34 -0.17 2.92 1.01 -0.11 -0.87 120.40 126.36 2jjm s VAL 116 Ca 0.14 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 2jjm s VAL 116 Cb -0.13 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 2jjm s VAL 116 CO 0.05 0.40 -0.02 -0.89 0.00 0.00 0.00 175.10 174.64 2jjm s THR 117 N 1.29 3.94 -0.19 3.92 2.01 -0.35 -0.68 115.64 125.58 2jjm s THR 117 Ca 0.03 -0.33 -0.05 0.00 0.31 0.00 0.00 61.69 61.65 2jjm s THR 117 Cb -0.15 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 2jjm s THR 117 CO -0.10 0.47 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.40 2jjm s THR 118 N 0.63 3.96 0.50 -0.82 2.01 -0.65 -0.86 115.64 120.41 2jjm s THR 118 Ca -0.01 -0.32 -0.01 0.00 0.31 0.00 0.00 61.69 61.66 2jjm s THR 118 Cb -0.14 -2.77 0.01 0.00 0.01 0.00 0.00 72.50 69.60 2jjm s THR 118 CO 0.02 0.45 0.74 -0.76 -0.69 0.00 0.00 174.62 174.38 2jjm s LEU 119 N 0.81 3.49 0.00 4.42 1.43 0.13 -4.33 118.68 124.62 2jjm s LEU 119 Ca 0.00 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2jjm s LEU 119 Cb -0.14 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 42.91 2jjm s LEU 119 CO 0.02 -0.87 0.00 1.41 0.23 0.00 0.00 176.35 177.14 2jjm n HIS 120 N -2.23 -0.39 0.20 0.29 8.25 -1.26 -3.71 115.22 116.37 2jjm n HIS 120 Ca 0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.39 2jjm n HIS 120 Cb 0.58 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.64 2jjm n HIS 120 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2jjm h GLY 121 N 0.00 -0.91 1.54 -1.41 0.00 -1.98 -3.37 103.07 96.93 2jjm h GLY 121 Ca 0.00 0.39 -0.25 0.00 0.00 0.00 0.00 47.33 47.47 2jjm h GLY 121 CO 0.00 -0.31 -1.09 -0.91 0.00 0.00 0.00 176.54 174.24 2jjm h THR 122 N -0.60 1.42 -0.94 4.70 1.35 -2.00 -0.91 112.91 115.92 2jjm h THR 122 Ca -0.05 -2.66 0.22 0.00 -0.55 0.00 0.00 66.41 63.38 2jjm h THR 122 Cb 0.50 2.64 -0.07 0.00 -1.73 0.00 0.00 68.15 69.48 2jjm h THR 122 CO 0.02 0.79 0.62 -2.24 -0.25 0.00 0.00 175.52 174.46 2jjm h ASP 123 N 0.18 0.38 0.00 5.36 2.03 -1.97 0.85 116.42 123.26 2jjm h ASP 123 Ca -0.11 0.05 -0.29 0.00 -0.73 0.00 0.00 57.03 55.94 2jjm h ASP 123 Cb 1.76 -0.02 -0.04 0.00 -0.83 0.00 0.00 39.33 40.19 2jjm h ASP 123 CO 0.19 0.13 -1.96 -0.38 -1.03 0.00 0.00 179.24 176.19 2jjm n ILE 124 N -4.51 1.50 -0.07 4.15 -0.00 -1.24 -2.54 119.36 116.64 2jjm n ILE 124 Ca 0.21 -0.19 -0.06 0.00 -0.00 0.00 0.00 62.75 62.71 2jjm n ILE 124 Cb 0.77 -2.05 -0.05 0.00 -0.00 0.00 0.00 39.64 38.32 2jjm n ILE 124 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.55 177.29 2jjm h THR 125 N -0.98 0.00 0.05 1.39 2.02 -1.03 -2.18 112.91 112.17 2jjm h THR 125 Ca -0.44 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.40 2jjm h THR 125 Cb 1.38 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 2jjm h THR 125 CO -0.27 0.00 -1.93 0.55 0.37 0.00 0.00 175.52 174.25 2jjm n VAL 126 N -3.97 1.63 0.12 3.16 3.14 0.00 -4.15 118.33 118.26 2jjm n VAL 126 Ca -0.01 -0.42 -0.13 0.00 -2.96 0.00 0.00 64.34 60.81 2jjm n VAL 126 Cb 0.16 -1.80 -0.08 0.00 -1.06 0.00 0.00 33.84 31.06 2jjm n VAL 126 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2jjm h LEU 127 N -0.39 -0.23 -1.66 6.55 3.38 -1.05 -2.82 115.31 119.09 2jjm h LEU 127 Ca -0.46 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.41 2jjm h LEU 127 Cb 1.75 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 2jjm h LEU 127 CO -0.09 0.02 0.51 1.23 0.09 0.00 0.00 178.44 180.20 2jjm h GLY 128 N -0.47 0.00 1.34 0.83 0.00 -1.10 0.31 103.07 103.97 2jjm h GLY 128 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.14 2jjm h GLY 128 CO 0.04 0.00 -0.52 1.48 0.00 0.00 0.00 176.54 177.54 2jjm h SER 129 N 0.00 0.78 -2.70 0.19 4.64 -1.62 -3.43 113.55 111.40 2jjm h SER 129 Ca 0.08 -0.40 -0.57 0.00 -0.47 0.00 0.00 61.79 60.44 2jjm h SER 129 Cb 1.11 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 2jjm h SER 129 CO -0.00 1.15 1.17 -0.62 -0.87 0.00 0.00 176.83 177.66 2jjm s ASP 130 N -6.92 6.28 0.60 4.97 3.68 0.11 -4.90 116.67 120.49 2jjm s ASP 130 Ca -0.09 1.64 0.30 0.00 2.13 0.00 0.00 52.55 56.53 2jjm s ASP 130 Cb 0.11 -2.53 1.82 0.00 -1.45 0.00 0.00 42.92 40.87 2jjm s ASP 130 CO 0.86 -1.34 2.22 1.55 0.13 0.00 0.00 175.17 178.59 2jjm h PRO 131 N 11.19 0.00 0.00 4.34 0.13 -1.85 -0.96 132.00 144.85 2jjm h PRO 131 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2jjm h PRO 131 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2jjm h PRO 131 CO 1.00 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.64 2jjm n SER 132 N -3.77 0.00 0.00 1.44 3.41 -1.26 -3.23 113.62 110.21 2jjm n SER 132 Ca -0.02 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2jjm n SER 132 Cb 0.15 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 2jjm n SER 132 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jjm n LEU 133 N -1.34 0.30 0.10 1.04 4.77 -0.42 -4.86 117.00 116.59 2jjm n LEU 133 Ca 0.07 -0.30 -0.04 0.00 -0.03 0.00 0.00 56.01 55.71 2jjm n LEU 133 Cb 0.16 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 2jjm n LEU 133 CO 0.14 0.08 0.51 -1.13 -1.33 0.00 0.00 177.39 175.66 2jjm h ASN 134 N 0.00 -0.26 -0.73 -1.43 -1.24 -1.38 -1.10 115.58 109.45 2jjm h ASN 134 Ca 0.00 0.01 0.21 0.00 0.71 0.00 0.00 56.30 57.23 2jjm h ASN 134 Cb 0.61 0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.70 2jjm h ASN 134 CO 0.00 -0.17 0.58 -0.55 -1.29 0.00 0.00 177.43 176.00 2jjm h ASN 135 N -0.27 0.00 -0.18 1.15 -1.07 -1.90 0.72 115.58 114.03 2jjm h ASN 135 Ca -0.03 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 56.23 2jjm h ASN 135 Cb 0.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.47 2jjm h ASN 135 CO 0.03 0.00 -0.35 0.25 0.07 0.00 0.00 177.43 177.44 2jjm h LEU 136 N 0.00 0.62 -0.49 6.14 5.85 -1.83 -1.00 115.31 124.59 2jjm h LEU 136 Ca 0.35 -0.55 -0.09 0.00 0.84 0.00 0.00 57.88 58.43 2jjm h LEU 136 Cb 1.50 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 2jjm h LEU 136 CO -0.00 1.05 -0.03 0.40 -0.34 0.00 0.00 178.44 179.52 2jjm h ILE 137 N 0.21 1.27 0.57 4.05 2.04 0.39 -1.76 117.51 124.27 2jjm h ILE 137 Ca 0.01 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 2jjm h ILE 137 Cb 0.95 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 2jjm h ILE 137 CO 0.08 0.39 -0.31 -0.09 0.00 0.00 0.00 178.15 178.22 2jjm h ARG 138 N 0.74 -0.79 -0.71 2.37 2.43 -1.09 -1.42 114.38 115.91 2jjm h ARG 138 Ca 0.13 0.05 0.13 0.00 -0.81 0.00 0.00 59.98 59.49 2jjm h ARG 138 Cb 0.56 0.18 -0.09 0.00 -0.42 0.00 0.00 29.97 30.19 2jjm h ARG 138 CO 0.03 -0.53 0.25 0.35 -1.51 0.00 0.00 179.97 178.57 2jjm h PHE 139 N -0.82 0.42 -0.73 2.20 3.04 -1.15 0.12 116.94 120.03 2jjm h PHE 139 Ca -0.07 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.91 2jjm h PHE 139 Cb 0.65 -0.08 -0.04 0.00 2.56 0.00 0.00 35.95 39.04 2jjm h PHE 139 CO -0.06 0.04 0.46 0.78 -2.02 0.00 0.00 178.31 177.51 2jjm h GLY 140 N 0.39 1.04 0.67 2.40 0.00 -1.06 -0.57 103.07 105.94 2jjm h GLY 140 Ca 0.38 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2jjm h GLY 140 CO -0.40 0.40 -0.11 -2.22 0.00 0.00 0.00 176.54 174.21 2jjm h ILE 141 N 0.99 0.85 -0.35 2.60 2.04 -0.09 -2.79 117.51 120.77 2jjm h ILE 141 Ca 0.26 -0.64 0.07 0.00 1.00 0.00 0.00 64.86 65.55 2jjm h ILE 141 Cb -0.07 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2jjm h ILE 141 CO -0.05 0.14 0.24 -0.33 0.00 0.00 0.00 178.15 178.14 2jjm h GLU 142 N -0.63 0.16 0.00 2.37 5.08 -0.69 -2.12 114.58 118.75 2jjm h GLU 142 Ca -0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2jjm h GLU 142 Cb 0.45 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2jjm h GLU 142 CO 0.05 0.11 -0.21 1.96 -1.00 0.00 0.00 179.01 179.92 2jjm h GLN 143 N 0.17 0.00 -7.17 2.33 1.08 -1.05 -3.46 115.11 107.01 2jjm h GLN 143 Ca 0.16 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.86 2jjm h GLN 143 Cb 0.41 0.00 0.07 0.00 -0.05 0.00 0.00 27.48 27.91 2jjm h GLN 143 CO -0.02 0.00 0.38 -1.12 -0.95 0.00 0.00 178.83 177.12 2jjm s SER 144 N -4.82 5.64 0.08 1.46 0.01 -0.80 -4.96 113.70 110.31 2jjm s SER 144 Ca 0.08 1.92 -0.11 0.00 1.31 0.00 0.00 55.95 59.16 2jjm s SER 144 Cb 0.11 -2.55 -0.24 0.00 0.21 0.00 0.00 66.02 63.55 2jjm s SER 144 CO 0.65 -1.26 1.16 0.44 0.41 0.00 0.00 173.24 174.63 2jjm h ASP 145 N 0.52 0.73 -4.25 2.44 3.32 -1.31 -3.45 116.42 114.42 2jjm h ASP 145 Ca -0.47 -0.67 -0.32 0.00 0.02 0.00 0.00 57.03 55.59 2jjm h ASP 145 Cb 1.23 -0.23 -0.26 0.00 0.22 0.00 0.00 39.33 40.30 2jjm h ASP 145 CO 0.57 1.49 -0.75 -0.69 -1.72 0.00 0.00 179.24 178.13 2jjm s VAL 146 N -3.00 0.52 -0.01 -1.35 1.01 -0.88 -5.03 120.40 111.65 2jjm s VAL 146 Ca -0.08 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.34 2jjm s VAL 146 Cb 0.07 -0.50 -0.00 0.00 0.00 0.00 0.00 36.38 35.95 2jjm s VAL 146 CO 0.91 -0.07 -0.07 -0.69 0.00 0.00 0.00 175.10 175.18 2jjm s VAL 147 N -0.63 0.61 0.14 2.92 1.01 -1.26 -1.21 120.40 121.99 2jjm s VAL 147 Ca -0.02 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.68 2jjm s VAL 147 Cb -0.05 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 2jjm s VAL 147 CO 0.00 0.19 -0.03 0.42 0.00 0.00 0.00 175.10 175.68 2jjm s THR 148 N 0.03 0.70 0.24 3.92 -4.23 -0.04 -1.60 115.64 114.65 2jjm s THR 148 Ca -0.00 -1.97 0.03 0.00 -1.18 0.00 0.00 61.69 58.57 2jjm s THR 148 Cb -0.05 -1.94 -0.05 0.00 1.34 0.00 0.00 72.50 71.80 2jjm s THR 148 CO -0.00 -0.64 0.02 0.00 -0.54 0.00 0.00 174.62 173.46 2jjm s ALA 149 N -3.64 1.78 -0.77 3.99 0.00 -0.31 0.20 121.76 123.02 2jjm s ALA 149 Ca 0.19 -1.79 0.25 0.00 0.00 0.00 0.00 51.96 50.61 2jjm s ALA 149 Cb 0.06 0.62 0.41 0.00 0.00 0.00 0.00 23.12 24.20 2jjm s ALA 149 CO 0.00 -0.30 1.35 1.33 0.00 0.00 0.00 175.76 178.14 2jjm n VAL 150 N -0.43 0.21 -3.51 0.00 0.24 -1.24 -0.99 118.33 112.61 2jjm n VAL 150 Ca -0.04 -0.17 -0.15 0.00 -2.04 0.00 0.00 64.34 61.94 2jjm n VAL 150 Cb 0.64 0.01 -0.04 0.00 -1.47 0.00 0.00 33.84 32.98 2jjm n VAL 150 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2jjm s SER 151 N -3.76 -0.56 0.43 -1.34 1.04 -1.26 -4.18 113.70 104.08 2jjm s SER 151 Ca 0.08 0.32 0.13 0.00 0.48 0.00 0.00 55.95 56.96 2jjm s SER 151 Cb 0.15 0.54 0.94 0.00 0.10 0.00 0.00 66.02 67.75 2jjm s SER 151 CO 0.71 -0.76 1.97 0.45 0.98 0.00 0.00 173.24 176.59 2jjm h HIS 152 N 2.61 0.06 -0.85 5.02 -0.00 -1.93 -1.63 115.15 118.45 2jjm h HIS 152 Ca -0.30 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.07 2jjm h HIS 152 Cb 1.22 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 28.57 2jjm h HIS 152 CO 0.33 0.23 0.56 1.03 -0.00 0.00 0.00 177.93 180.08 2jjm h SER 153 N 0.06 0.97 -0.16 2.45 0.87 -1.92 -2.01 113.55 113.82 2jjm h SER 153 Ca 0.01 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 2jjm h SER 153 Cb 0.34 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 2jjm h SER 153 CO 0.02 0.70 -0.02 0.25 -0.53 0.00 0.00 176.83 177.26 2jjm h LEU 154 N 1.15 0.29 -2.70 2.23 5.85 -1.62 -0.75 115.31 119.76 2jjm h LEU 154 Ca 0.31 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2jjm h LEU 154 Cb -0.13 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 2jjm h LEU 154 CO -0.07 0.56 0.08 0.40 -0.34 0.00 0.00 178.44 179.08 2jjm h ILE 155 N 0.01 0.07 0.07 4.05 2.04 -1.06 0.29 117.51 122.99 2jjm h ILE 155 Ca 0.04 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.73 2jjm h ILE 155 Cb 0.43 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2jjm h ILE 155 CO 0.01 0.00 -0.86 0.78 0.00 0.00 0.00 178.15 178.09 2jjm h ASN 156 N 0.00 0.25 -0.64 1.72 2.35 -0.70 -2.98 115.58 115.57 2jjm h ASN 156 Ca 0.01 -0.87 0.01 0.00 -0.55 0.00 0.00 56.30 54.90 2jjm h ASN 156 Cb 0.17 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 2jjm h ASN 156 CO -0.00 1.38 0.43 -0.33 -1.65 0.00 0.00 177.43 177.25 2jjm h GLU 157 N -0.61 0.81 0.01 0.81 4.39 -0.02 -1.49 114.58 118.48 2jjm h GLU 157 Ca -0.19 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.46 2jjm h GLU 157 Cb 1.46 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2jjm h GLU 157 CO 0.03 0.54 -0.01 1.15 -1.16 0.00 0.00 179.01 179.56 2jjm h THR 158 N 0.84 1.16 0.00 1.13 2.02 -0.56 -0.61 112.91 116.89 2jjm h THR 158 Ca 0.24 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2jjm h THR 158 Cb -0.05 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2jjm h THR 158 CO -0.06 0.14 0.00 0.45 0.37 0.00 0.00 175.52 176.42 2jjm h HIS 159 N -0.24 0.00 0.03 3.16 3.86 -1.32 -0.90 115.15 119.74 2jjm h HIS 159 Ca -0.00 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.03 2jjm h HIS 159 Cb 0.23 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 2jjm h HIS 159 CO 0.00 0.00 -0.95 1.49 0.86 0.00 0.00 177.93 179.34 2jjm h GLU 160 N 0.00 0.07 0.00 2.45 4.81 -0.90 -3.29 114.58 117.72 2jjm h GLU 160 Ca 0.00 -0.12 -0.19 0.00 -0.13 0.00 0.00 59.36 58.92 2jjm h GLU 160 Cb 0.41 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 2jjm h GLU 160 CO 0.00 1.06 -1.02 -0.07 -0.73 0.00 0.00 179.01 178.25 2jjm h LEU 161 N -0.79 0.01 0.17 1.64 3.38 -1.11 -3.41 115.31 115.20 2jjm h LEU 161 Ca -0.24 -0.61 -0.33 0.00 0.09 0.00 0.00 57.88 56.79 2jjm h LEU 161 Cb 1.35 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.11 2jjm h LEU 161 CO -0.07 1.40 -1.60 0.58 0.09 0.00 0.00 178.44 178.84 2jjm h VAL 162 N -0.98 1.11 -5.70 1.22 2.07 -1.39 -3.49 116.25 109.09 2jjm h VAL 162 Ca -0.28 -2.68 -0.33 0.00 0.82 0.00 0.00 66.70 64.23 2jjm h VAL 162 Cb 1.26 2.83 0.15 0.00 -1.52 0.00 0.00 31.29 34.00 2jjm h VAL 162 CO -0.16 0.84 -0.81 0.29 0.02 0.00 0.00 177.57 177.75 2jjm n LYS 163 N -3.56 -5.15 -2.64 1.57 5.02 -0.67 -4.85 118.16 107.87 2jjm n LYS 163 Ca -0.19 0.80 -0.33 0.00 -2.02 0.00 0.00 58.31 56.57 2jjm n LYS 163 Cb 1.07 -5.68 -0.05 0.00 -0.02 0.00 0.00 35.03 30.35 2jjm n LYS 163 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2jjm s PRO 164 N -5.27 4.07 -1.14 1.97 0.04 -1.26 -4.97 135.00 128.44 2jjm s PRO 164 Ca 0.12 1.10 -0.05 0.00 0.04 0.00 0.00 61.00 62.21 2jjm s PRO 164 Cb -0.02 -2.15 0.26 0.00 0.04 0.00 0.00 34.50 32.63 2jjm s PRO 164 CO 0.75 -0.17 1.73 0.09 0.04 0.00 0.00 177.00 179.44 2jjm n ASN 165 N -0.99 6.45 -3.70 6.66 5.03 -1.26 -4.91 115.26 122.53 2jjm n ASN 165 Ca 0.07 -3.37 -0.11 0.00 0.87 0.00 0.00 54.58 52.04 2jjm n ASN 165 Cb 0.54 -1.31 -0.06 0.00 -1.02 0.00 0.00 39.78 37.93 2jjm n ASN 165 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2jjm s LYS 166 N -2.19 0.95 -0.07 3.52 2.47 -1.26 -4.91 119.74 118.25 2jjm s LYS 166 Ca 0.37 -0.63 -0.15 0.00 -1.56 0.00 0.00 55.97 53.99 2jjm s LYS 166 Cb 0.10 0.41 -0.05 0.00 -1.46 0.00 0.00 37.83 36.83 2jjm s LYS 166 CO 0.02 -0.34 0.40 -0.51 0.16 0.00 0.00 175.35 175.09 2jjm s ASP 167 N -2.49 6.70 -0.14 1.43 1.01 -1.26 -5.08 116.67 116.83 2jjm s ASP 167 Ca -0.00 0.83 0.01 0.00 0.71 0.00 0.00 52.55 54.10 2jjm s ASP 167 Cb 0.01 -2.25 0.00 0.00 1.01 0.00 0.00 42.92 41.70 2jjm s ASP 167 CO -0.08 0.19 -0.18 -0.63 0.21 0.00 0.00 175.17 174.67 2jjm s ILE 168 N -0.28 2.40 0.64 0.77 1.01 -1.26 -4.26 121.20 120.22 2jjm s ILE 168 Ca 0.23 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 2jjm s ILE 168 Cb -0.15 -1.99 0.05 0.00 0.01 0.00 0.00 42.46 40.37 2jjm s ILE 168 CO 0.11 0.53 0.93 -1.10 0.00 0.00 0.00 174.94 175.41 2jjm s GLN 169 N 0.76 2.38 -0.11 2.79 -0.21 -0.63 -4.90 119.66 119.75 2jjm s GLN 169 Ca -0.07 -0.38 0.02 0.00 0.02 0.00 0.00 55.36 54.95 2jjm s GLN 169 Cb -0.16 -2.28 -0.01 0.00 1.00 0.00 0.00 33.01 31.57 2jjm s GLN 169 CO 0.00 -1.02 -0.19 0.99 -2.12 0.00 0.00 175.29 172.96 2jjm s THR 170 N -3.07 2.54 -0.17 -0.19 2.01 -1.26 -1.16 115.64 114.34 2jjm s THR 170 Ca 0.58 -0.85 -0.04 0.00 0.31 0.00 0.00 61.69 61.69 2jjm s THR 170 Cb -0.11 -2.01 0.07 0.00 0.01 0.00 0.00 72.50 70.46 2jjm s THR 170 CO 0.43 0.55 0.17 -0.69 -0.69 0.00 0.00 174.62 174.38 2jjm s VAL 171 N 0.25 -0.24 0.80 3.82 1.01 -0.16 -4.91 120.40 120.96 2jjm s VAL 171 Ca -0.13 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 2jjm s VAL 171 Cb -0.16 -0.56 0.07 0.00 0.00 0.00 0.00 36.38 35.73 2jjm s VAL 171 CO 0.07 -0.14 1.09 -0.31 0.00 0.00 0.00 175.10 175.80 2jjm s TYR 172 N 2.26 2.67 0.69 5.22 1.51 -1.26 -3.99 117.35 124.46 2jjm s TYR 172 Ca 0.05 1.34 -0.11 0.00 -1.01 0.00 0.00 57.07 57.33 2jjm s TYR 172 Cb -0.15 -3.07 0.01 0.00 -0.11 0.00 0.00 41.96 38.65 2jjm s TYR 172 CO -0.10 -1.86 1.08 -0.80 -1.11 0.00 0.00 175.55 172.76 2jjm s ASN 173 N -3.61 5.46 0.42 2.29 -0.87 -1.26 -4.97 114.94 112.39 2jjm s ASN 173 Ca 0.61 1.08 0.04 0.00 -1.57 0.00 0.00 52.86 53.03 2jjm s ASN 173 Cb -0.16 -1.90 -0.02 0.00 -0.02 0.00 0.00 41.25 39.15 2jjm s ASN 173 CO 0.56 -1.31 0.15 0.72 -2.57 0.00 0.00 177.10 174.64 2jjm s PHE 174 N -3.32 1.78 0.02 2.20 -0.12 -1.26 -4.90 117.98 112.38 2jjm s PHE 174 Ca 0.58 -1.36 0.01 0.00 -0.05 0.00 0.00 56.93 56.11 2jjm s PHE 174 Cb -0.11 -1.12 -0.02 0.00 -0.63 0.00 0.00 43.02 41.15 2jjm s PHE 174 CO 0.51 -0.38 -0.05 0.42 -0.05 0.00 0.00 175.22 175.67 2jjm s ILE 175 N -3.20 0.31 -0.67 -4.49 -1.09 -1.26 -4.94 121.20 105.87 2jjm s ILE 175 Ca 0.23 -0.74 -0.26 0.00 -2.23 0.00 0.00 60.65 57.65 2jjm s ILE 175 Cb 0.02 -0.38 0.04 0.00 -1.58 0.00 0.00 42.46 40.56 2jjm s ILE 175 CO 0.16 -0.29 1.14 -0.62 -1.23 0.00 0.00 174.94 174.10 2jjm s ASP 176 N -1.09 6.23 0.62 3.58 2.15 -1.26 -4.24 116.67 122.65 2jjm s ASP 176 Ca -0.09 -0.49 0.33 0.00 0.43 0.00 0.00 52.55 52.73 2jjm s ASP 176 Cb -0.07 -2.51 1.86 0.00 -0.30 0.00 0.00 42.92 41.90 2jjm s ASP 176 CO -0.00 -1.61 2.16 -0.33 -0.17 0.00 0.00 175.17 175.23 2jjm h GLU 177 N 9.75 0.00 0.00 4.34 5.08 -1.99 0.12 114.58 131.87 2jjm h GLU 177 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2jjm h GLU 177 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2jjm h GLU 177 CO 1.22 0.00 0.00 -2.13 -1.00 0.00 0.00 179.01 177.10 2jjm n ARG 178 N -3.53 0.49 0.00 2.33 3.00 -1.26 -2.74 116.66 114.95 2jjm n ARG 178 Ca -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2jjm n ARG 178 Cb 0.23 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.19 2jjm n ARG 178 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2jjm n VAL 179 N -1.01 0.00 -4.02 5.15 0.31 0.39 -4.99 118.33 114.15 2jjm n VAL 179 Ca 0.12 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.13 2jjm n VAL 179 Cb 0.06 -0.30 -0.15 0.00 -0.91 0.00 0.00 33.84 32.54 2jjm n VAL 179 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2jjm s TYR 180 N -1.58 3.53 0.23 3.52 1.51 -1.01 -4.88 117.35 118.68 2jjm s TYR 180 Ca 0.00 -2.65 0.01 0.00 -1.01 0.00 0.00 57.07 53.43 2jjm s TYR 180 Cb 0.00 -2.49 -0.05 0.00 -0.11 0.00 0.00 41.96 39.31 2jjm s TYR 180 CO 0.00 -0.92 0.06 -0.59 -1.11 0.00 0.00 175.55 173.00 2jjm s PHE 181 N 1.01 1.43 -0.87 2.71 -0.71 -1.26 -4.66 117.98 115.63 2jjm s PHE 181 Ca 0.02 -1.13 0.00 0.00 -1.04 0.00 0.00 56.93 54.78 2jjm s PHE 181 Cb -0.20 -0.83 0.00 0.00 -1.21 0.00 0.00 43.02 40.79 2jjm s PHE 181 CO -0.06 -0.29 0.38 1.17 -1.34 0.00 0.00 175.22 175.08 2jjm n LYS 182 N -0.39 0.68 -0.88 1.99 4.81 -1.26 -4.74 118.16 118.36 2jjm n LYS 182 Ca -0.02 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.08 2jjm n LYS 182 Cb 0.65 -1.32 0.11 0.00 0.02 0.00 0.00 35.03 34.50 2jjm n LYS 182 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 2jjm n ARG 183 N 0.23 -0.18 -4.14 1.64 0.00 -1.26 -5.00 116.66 107.95 2jjm n ARG 183 Ca 0.00 -0.01 -0.28 0.00 -0.00 0.00 0.00 57.85 57.56 2jjm n ARG 183 Cb 0.19 -1.85 -0.17 0.00 -0.00 0.00 0.00 32.46 30.64 2jjm n ARG 183 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2jjm s ASP 184 N -1.91 2.39 -1.34 2.89 3.84 -1.26 -4.62 116.67 116.67 2jjm s ASP 184 Ca 0.58 -0.40 -0.06 0.00 -0.00 0.00 0.00 52.55 52.67 2jjm s ASP 184 Cb -0.23 -1.02 0.11 0.00 -1.38 0.00 0.00 42.92 40.39 2jjm s ASP 184 CO 0.66 -0.05 2.38 0.23 -0.00 0.00 0.00 175.17 178.39 2jjm n MET 185 N 4.61 4.49 0.04 2.11 2.81 -1.26 -4.69 117.12 125.22 2jjm n MET 185 Ca -0.17 -3.40 0.02 0.00 -1.81 0.00 0.00 57.70 52.35 2jjm n MET 185 Cb 0.50 -2.66 0.37 0.00 -0.71 0.00 0.00 33.22 30.73 2jjm n MET 185 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jjm h THR 186 N 2.70 1.16 0.00 2.03 1.03 -1.97 -1.92 112.91 115.93 2jjm h THR 186 Ca 0.69 -0.58 -0.09 0.00 -0.01 0.00 0.00 66.41 66.42 2jjm h THR 186 Cb 0.32 0.90 -0.01 0.00 -1.07 0.00 0.00 68.15 68.29 2jjm h THR 186 CO 1.51 0.20 -0.44 1.56 -0.01 0.00 0.00 175.52 178.34 2jjm h GLN 187 N 0.42 0.00 0.02 0.00 4.20 -2.02 -3.14 115.11 114.58 2jjm h GLN 187 Ca 0.10 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.58 2jjm h GLN 187 Cb 0.22 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 2jjm h GLN 187 CO 0.00 0.44 -0.96 1.25 -0.67 0.00 0.00 178.83 178.89 2jjm h LEU 188 N 0.00 0.44 -1.34 1.46 5.85 -1.75 -3.07 115.31 116.90 2jjm h LEU 188 Ca -0.00 -0.36 0.09 0.00 0.84 0.00 0.00 57.88 58.44 2jjm h LEU 188 Cb 0.91 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 2jjm h LEU 188 CO 0.06 1.18 0.52 0.11 -0.34 0.00 0.00 178.44 179.96 2jjm h LYS 189 N 0.17 0.73 -0.14 1.25 1.57 -1.39 0.16 116.57 118.94 2jjm h LYS 189 Ca -0.08 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2jjm h LYS 189 Cb 1.61 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.75 2jjm h LYS 189 CO 0.16 0.49 0.03 -0.22 -0.57 0.00 0.00 179.45 179.34 2jjm h LYS 190 N 0.76 0.22 0.00 3.15 3.11 -1.62 -0.20 116.57 121.99 2jjm h LYS 190 Ca 0.36 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 58.15 2jjm h LYS 190 Cb 0.40 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.60 2jjm h LYS 190 CO -0.14 0.38 0.00 1.49 -2.81 0.00 0.00 179.45 178.37 2jjm h GLU 191 N 0.02 0.00 -0.02 1.90 4.81 -0.93 -0.38 114.58 119.99 2jjm h GLU 191 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2jjm h GLU 191 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2jjm h GLU 191 CO 0.00 0.00 -0.38 0.66 -0.73 0.00 0.00 179.01 178.56 2jjm n TYR 192 N -3.07 0.00 -1.29 0.92 4.01 -0.45 -5.01 117.16 112.26 2jjm n TYR 192 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2jjm n TYR 192 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 2jjm n TYR 192 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jjm n GLY 193 N 1.33 0.39 3.50 2.72 0.00 -0.15 -5.07 105.19 107.91 2jjm n GLY 193 Ca 0.09 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 2jjm n GLY 193 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jjm s ILE 194 N -2.00 3.03 0.00 -0.61 2.07 -0.23 -5.01 121.20 118.46 2jjm s ILE 194 Ca 0.00 -1.16 0.00 0.00 -1.41 0.00 0.00 60.65 58.08 2jjm s ILE 194 Cb 0.00 -2.32 0.00 0.00 0.13 0.00 0.00 42.46 40.27 2jjm s ILE 194 CO 0.00 0.29 0.00 -1.20 -1.91 0.00 0.00 174.94 172.12 2jjm n SER 195 N 1.34 0.00 -4.74 4.50 7.64 -1.26 -4.41 113.62 116.69 2jjm n SER 195 Ca -0.16 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.31 2jjm n SER 195 Cb 0.52 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 2jjm n SER 195 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2jjm s LYS 199 N 0.00 4.14 -0.17 1.43 -0.14 -1.17 -5.06 119.74 118.78 2jjm s LYS 199 Ca 0.00 2.54 0.00 0.00 -1.36 0.00 0.00 55.97 57.16 2jjm s LYS 199 Cb 0.00 -3.05 0.01 0.00 -1.68 0.00 0.00 37.83 33.10 2jjm s LYS 199 CO 0.00 -0.64 -0.17 0.42 -0.76 0.00 0.00 175.35 174.20 2jjm s ILE 200 N 0.37 2.39 -0.23 2.17 1.01 -1.26 -1.79 121.20 123.86 2jjm s ILE 200 Ca 0.66 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 2jjm s ILE 200 Cb -0.47 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 2jjm s ILE 200 CO 0.42 0.52 -0.01 -0.76 0.00 0.00 0.00 174.94 175.11 2jjm s LEU 201 N 1.11 3.08 -0.06 2.97 1.02 -0.63 -0.77 118.68 125.40 2jjm s LEU 201 Ca 0.00 -0.38 0.03 0.00 0.02 0.00 0.00 54.13 53.80 2jjm s LEU 201 Cb -0.14 -1.79 -0.03 0.00 0.02 0.00 0.00 46.19 44.25 2jjm s LEU 201 CO -0.06 -0.03 -0.13 -0.51 0.02 0.00 0.00 176.35 175.64 2jjm s ILE 202 N 1.51 3.20 -0.03 -0.59 -1.16 -0.45 0.63 121.20 124.31 2jjm s ILE 202 Ca 0.06 -0.67 -0.00 0.00 -0.51 0.00 0.00 60.65 59.53 2jjm s ILE 202 Cb -0.15 -2.27 0.03 0.00 0.61 0.00 0.00 42.46 40.68 2jjm s ILE 202 CO -0.01 0.59 0.01 -2.28 -2.81 0.00 0.00 174.94 170.44 2jjm s HIS 203 N -0.71 0.25 -0.14 3.50 5.65 -0.21 -2.29 115.29 121.34 2jjm s HIS 203 Ca 0.11 0.05 0.03 0.00 0.25 0.00 0.00 55.06 55.49 2jjm s HIS 203 Cb -0.11 -0.41 0.01 0.00 -1.18 0.00 0.00 32.58 30.90 2jjm s HIS 203 CO 0.01 -0.14 -0.22 0.42 -0.65 0.00 0.00 174.74 174.16 2jjm s ILE 204 N 1.23 2.06 0.34 0.89 1.01 -1.26 -1.47 121.20 123.99 2jjm s ILE 204 Ca -0.07 -0.98 -0.17 0.00 0.00 0.00 0.00 60.65 59.43 2jjm s ILE 204 Cb -0.13 -1.81 0.06 0.00 0.01 0.00 0.00 42.46 40.59 2jjm s ILE 204 CO -0.02 0.55 0.87 -0.94 0.00 0.00 0.00 174.94 175.40 2jjm s SER 205 N 0.77 0.03 -0.39 3.58 1.04 -1.09 -5.02 113.70 112.62 2jjm s SER 205 Ca -0.08 -1.06 0.07 0.00 0.48 0.00 0.00 55.95 55.36 2jjm s SER 205 Cb -0.16 0.76 0.71 0.00 0.10 0.00 0.00 66.02 67.43 2jjm s SER 205 CO -0.01 -1.52 1.86 -0.46 0.98 0.00 0.00 173.24 174.09 2jjm n ASN 206 N -1.44 4.25 -4.13 7.02 0.23 -1.26 -3.98 115.26 115.94 2jjm n ASN 206 Ca -0.07 -3.43 -0.29 0.00 -0.53 0.00 0.00 54.58 50.26 2jjm n ASN 206 Cb 0.60 -0.79 -0.09 0.00 -2.08 0.00 0.00 39.78 37.42 2jjm n ASN 206 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 2jjm n PHE 207 N -0.68 -1.11 -3.67 -2.53 3.01 -1.26 -3.96 117.46 107.25 2jjm n PHE 207 Ca 0.50 0.55 -0.20 0.00 1.01 0.00 0.00 57.45 59.31 2jjm n PHE 207 Cb 1.53 -2.40 -0.02 0.00 -0.01 0.00 0.00 39.48 38.58 2jjm n PHE 207 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2jjm s ARG 208 N -6.87 2.92 0.44 -1.08 0.52 -1.26 -1.56 118.95 112.06 2jjm s ARG 208 Ca 0.09 -1.15 0.12 0.00 -0.52 0.00 0.00 55.73 54.27 2jjm s ARG 208 Cb -0.05 -2.64 0.96 0.00 0.52 0.00 0.00 34.95 33.74 2jjm s ARG 208 CO 0.89 0.10 2.00 0.87 0.02 0.00 0.00 175.30 179.19 2jjm h LYS 209 N 1.10 0.14 0.00 3.54 1.57 -1.99 -1.92 116.57 119.01 2jjm h LYS 209 Ca -0.45 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.25 2jjm h LYS 209 Cb 1.25 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 2jjm h LYS 209 CO 0.56 0.23 -0.25 0.28 -0.57 0.00 0.00 179.45 179.71 2jjm h VAL 210 N 0.14 1.02 0.00 0.50 2.07 -2.00 -1.90 116.25 116.09 2jjm h VAL 210 Ca 0.03 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.66 2jjm h VAL 210 Cb 0.23 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2jjm h VAL 210 CO 0.01 0.24 0.00 0.11 0.02 0.00 0.00 177.57 177.95 2jjm h LYS 211 N 0.00 0.00 -6.21 1.57 1.79 -1.71 -0.90 116.57 111.12 2jjm h LYS 211 Ca -0.00 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.03 2jjm h LYS 211 Cb 0.48 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.17 2jjm h LYS 211 CO 0.03 0.00 -0.87 0.54 -1.08 0.00 0.00 179.45 178.08 2jjm n ARG 212 N -2.66 -3.70 0.29 3.15 5.12 -0.71 -3.50 116.66 114.64 2jjm n ARG 212 Ca 0.03 0.54 0.15 0.00 -1.93 0.00 0.00 57.85 56.64 2jjm n ARG 212 Cb 0.35 -4.83 0.90 0.00 -1.16 0.00 0.00 32.46 27.72 2jjm n ARG 212 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2jjm h VAL 213 N -1.83 0.50 -0.61 1.55 2.07 -1.84 -1.61 116.25 114.48 2jjm h VAL 213 Ca -0.63 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 66.84 2jjm h VAL 213 Cb 1.36 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 32.15 2jjm h VAL 213 CO 0.56 0.02 0.34 1.56 0.02 0.00 0.00 177.57 180.08 2jjm h GLN 214 N 0.00 0.64 -0.10 1.57 7.50 -1.95 -0.98 115.11 121.79 2jjm h GLN 214 Ca -0.00 -0.04 -0.05 0.00 0.50 0.00 0.00 58.65 59.06 2jjm h GLN 214 Cb 0.06 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.44 2jjm h GLN 214 CO 0.00 0.42 -0.16 -0.44 -1.50 0.00 0.00 178.83 177.15 2jjm h ASP 215 N 0.66 0.14 0.09 1.46 3.32 -1.65 0.19 116.42 120.63 2jjm h ASP 215 Ca 0.26 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.20 2jjm h ASP 215 Cb 0.11 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2jjm h ASP 215 CO -0.15 0.33 -0.27 0.58 -1.72 0.00 0.00 179.24 178.01 2jjm h VAL 216 N 0.15 1.25 0.02 -1.35 2.07 -1.21 -1.36 116.25 115.82 2jjm h VAL 216 Ca 0.03 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 2jjm h VAL 216 Cb 0.38 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2jjm h VAL 216 CO 0.02 0.37 -0.01 0.58 0.02 0.00 0.00 177.57 178.55 2jjm h VAL 217 N 0.26 1.46 -0.48 2.57 2.07 -0.64 -2.71 116.25 118.79 2jjm h VAL 217 Ca 0.04 -1.72 0.10 0.00 0.82 0.00 0.00 66.70 65.94 2jjm h VAL 217 Cb 0.62 2.57 -0.10 0.00 -1.52 0.00 0.00 31.29 32.87 2jjm h VAL 217 CO 0.04 0.43 -0.17 1.56 0.02 0.00 0.00 177.57 179.45 2jjm h GLN 218 N -0.81 -0.06 -0.82 1.57 1.08 -0.90 0.44 115.11 115.62 2jjm h GLN 218 Ca -0.00 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2jjm h GLN 218 Cb 0.72 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.12 2jjm h GLN 218 CO 0.01 -0.04 0.54 0.00 -0.95 0.00 0.00 178.83 178.39 2jjm h ALA 219 N 1.35 1.45 -0.14 3.87 0.00 -1.36 -2.18 119.26 122.25 2jjm h ALA 219 Ca 0.23 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 2jjm h ALA 219 Cb 0.41 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2jjm h ALA 219 CO -0.52 0.49 -0.60 0.35 0.00 0.00 0.00 179.25 178.96 2jjm h PHE 220 N 1.07 0.60 -0.94 0.00 3.04 -0.39 0.25 116.94 120.57 2jjm h PHE 220 Ca 0.31 -0.23 0.06 0.00 3.98 0.00 0.00 57.97 62.09 2jjm h PHE 220 Cb -0.05 -0.11 -0.06 0.00 2.56 0.00 0.00 35.95 38.28 2jjm h PHE 220 CO -0.00 0.95 0.60 0.00 -2.02 0.00 0.00 178.31 177.84 2jjm h ALA 221 N 0.99 1.28 0.08 2.41 0.00 0.33 -0.22 119.26 124.14 2jjm h ALA 221 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jjm h ALA 221 Cb 1.15 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2jjm h ALA 221 CO 0.11 0.39 -0.04 0.87 0.00 0.00 0.00 179.25 180.58 2jjm h LYS 222 N 1.10 -0.11 -0.21 0.00 1.57 -1.28 -3.30 116.57 114.35 2jjm h LYS 222 Ca 0.40 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.25 2jjm h LYS 222 Cb 0.14 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2jjm h LYS 222 CO -0.16 0.14 0.53 0.97 -0.57 0.00 0.00 179.45 180.36 2jjm h ILE 223 N -1.00 0.12 0.08 1.86 -0.00 -0.42 -0.96 117.51 117.18 2jjm h ILE 223 Ca -0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 64.86 64.59 2jjm h ILE 223 Cb 0.30 0.52 -0.01 0.00 -0.00 0.00 0.00 36.82 37.63 2jjm h ILE 223 CO 0.02 0.00 -1.23 1.62 -0.00 0.00 0.00 178.15 178.56 2jjm h VAL 224 N 0.00 1.49 -0.05 2.19 3.04 -1.12 -2.98 116.25 118.82 2jjm h VAL 224 Ca 0.10 -3.13 -0.00 0.00 -1.01 0.00 0.00 66.70 62.66 2jjm h VAL 224 Cb 1.15 2.86 -0.00 0.00 -2.01 0.00 0.00 31.29 33.29 2jjm h VAL 224 CO -0.00 0.89 0.01 0.71 -1.01 0.00 0.00 177.57 178.17 2jjm h THR 225 N 0.05 1.03 -0.02 3.17 1.35 -1.24 -2.83 112.91 114.42 2jjm h THR 225 Ca -0.12 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 2jjm h THR 225 Cb 1.92 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 2jjm h THR 225 CO 0.17 0.03 -0.20 -0.62 -0.25 0.00 0.00 175.52 174.65 2jjm n GLU 226 N -4.51 1.55 -3.73 4.72 1.02 -1.25 -4.96 120.64 113.48 2jjm n GLU 226 Ca -0.02 -1.07 -0.12 0.00 -0.02 0.00 0.00 57.16 55.92 2jjm n GLU 226 Cb 0.10 -1.29 -0.11 0.00 -0.02 0.00 0.00 31.44 30.13 2jjm n GLU 226 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jjm s VAL 227 N -1.69 -0.01 -0.36 2.62 1.01 -1.07 -5.10 120.40 115.80 2jjm s VAL 227 Ca 0.16 0.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.93 2jjm s VAL 227 Cb 0.13 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.98 2jjm s VAL 227 CO 0.33 0.01 0.78 1.51 0.00 0.00 0.00 175.10 177.72 2jjm s ASP 228 N 0.49 6.55 0.05 3.32 -4.77 -1.26 -4.20 116.67 116.85 2jjm s ASP 228 Ca -0.02 0.37 -0.26 0.00 -3.30 0.00 0.00 52.55 49.34 2jjm s ASP 228 Cb -0.04 -2.39 0.06 0.00 -1.09 0.00 0.00 42.92 39.46 2jjm s ASP 228 CO -0.03 -0.72 0.61 0.00 0.70 0.00 0.00 175.17 175.73 2jjm s ALA 229 N 3.07 -1.58 0.16 2.11 0.00 -1.26 -3.01 121.76 121.25 2jjm s ALA 229 Ca 0.31 0.83 0.06 0.00 0.00 0.00 0.00 51.96 53.16 2jjm s ALA 229 Cb -0.13 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 2jjm s ALA 229 CO 0.16 -0.54 0.08 0.15 0.00 0.00 0.00 175.76 175.61 2jjm s LYS 230 N -2.39 2.70 -0.22 0.00 3.01 -0.74 -4.96 119.74 117.14 2jjm s LYS 230 Ca -0.05 -0.95 -0.05 0.00 -1.01 0.00 0.00 55.97 53.90 2jjm s LYS 230 Cb -0.01 -2.54 -0.02 0.00 -1.01 0.00 0.00 37.83 34.26 2jjm s LYS 230 CO -0.01 0.48 0.01 -1.17 0.51 0.00 0.00 175.35 175.16 2jjm s LEU 231 N -2.98 3.19 -0.42 3.17 2.96 -0.45 -1.61 118.68 122.54 2jjm s LEU 231 Ca 0.29 -0.26 -0.20 0.00 -0.22 0.00 0.00 54.13 53.74 2jjm s LEU 231 Cb -0.10 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.79 2jjm s LEU 231 CO 0.21 0.01 0.61 -0.76 -1.32 0.00 0.00 176.35 175.11 2jjm s LEU 232 N 1.32 4.49 -0.74 -0.68 1.43 0.21 -0.87 118.68 123.84 2jjm s LEU 232 Ca 0.04 -0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 52.73 2jjm s LEU 232 Cb -0.15 -2.70 0.19 0.00 0.03 0.00 0.00 46.19 43.57 2jjm s LEU 232 CO 0.01 -0.71 0.67 -0.76 0.23 0.00 0.00 176.35 175.78 2jjm s LEU 233 N 2.71 6.48 0.11 1.79 1.43 -1.25 -1.04 118.68 128.92 2jjm s LEU 233 Ca 0.22 -2.48 -0.25 0.00 -1.03 0.00 0.00 54.13 50.58 2jjm s LEU 233 Cb -0.14 -2.17 -0.07 0.00 0.03 0.00 0.00 46.19 43.83 2jjm s LEU 233 CO 0.18 -0.62 0.78 -0.69 0.23 0.00 0.00 176.35 176.22 2jjm s VAL 234 N 0.50 4.55 0.00 -1.59 1.01 -0.54 -1.99 120.40 122.34 2jjm s VAL 234 Ca 0.14 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.81 2jjm s VAL 234 Cb -0.16 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.09 2jjm s VAL 234 CO -0.06 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.09 2jjm n GLY 235 N 2.00 2.40 3.40 4.51 0.00 0.17 -2.68 105.19 114.98 2jjm n GLY 235 Ca -0.04 -2.07 -0.14 0.00 0.00 0.00 0.00 46.02 43.77 2jjm n GLY 235 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jjm s ASP 236 N 0.00 -0.50 0.03 1.61 2.15 -1.26 -3.52 116.67 115.19 2jjm s ASP 236 Ca 0.00 0.84 -0.05 0.00 0.43 0.00 0.00 52.55 53.77 2jjm s ASP 236 Cb 0.00 0.86 0.02 0.00 -0.30 0.00 0.00 42.92 43.50 2jjm s ASP 236 CO 0.00 -0.28 0.25 0.61 -0.17 0.00 0.00 175.17 175.58 2jjm n GLY 237 N 2.31 0.98 0.26 2.66 0.00 -1.25 -4.42 105.19 105.73 2jjm n GLY 237 Ca -0.15 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.84 2jjm n GLY 237 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jjm h PRO 238 N 0.00 -0.22 -0.31 1.61 0.11 -1.76 -2.22 132.00 129.21 2jjm h PRO 238 Ca -0.06 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2jjm h PRO 238 Cb 0.27 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.43 2jjm h PRO 238 CO 0.08 -0.15 0.00 0.39 -0.21 0.00 0.00 178.00 178.12 2jjm n GLU 239 N -5.36 0.53 0.11 1.05 -0.58 -0.60 -4.07 120.64 111.73 2jjm n GLU 239 Ca -0.01 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.60 2jjm n GLU 239 Cb 0.28 -1.16 -0.08 0.00 -0.57 0.00 0.00 31.44 29.91 2jjm n GLU 239 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 2jjm h PHE 240 N 0.27 -0.24 -0.60 -0.32 3.57 -1.59 -2.12 116.94 115.91 2jjm h PHE 240 Ca 0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 2jjm h PHE 240 Cb 0.16 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2jjm h PHE 240 CO 0.00 -0.01 0.38 0.00 -2.23 0.00 0.00 178.31 176.46 2jjm h THR 242 N 0.77 1.02 -0.44 0.00 2.02 -1.83 0.58 112.91 115.03 2jjm h THR 242 Ca 0.23 -0.19 -0.08 0.00 0.77 0.00 0.00 66.41 67.14 2jjm h THR 242 Cb -0.03 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 2jjm h THR 242 CO -0.08 0.10 -0.06 0.40 0.37 0.00 0.00 175.52 176.25 2jjm h ILE 243 N 0.55 1.25 -0.57 3.11 1.08 -0.77 0.22 117.51 122.38 2jjm h ILE 243 Ca 0.20 -1.08 -0.11 0.00 -0.39 0.00 0.00 64.86 63.48 2jjm h ILE 243 Cb 0.05 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 2jjm h ILE 243 CO -0.11 0.37 -0.06 0.25 -0.69 0.00 0.00 178.15 177.92 2jjm h LEU 244 N 0.69 1.04 -1.01 1.44 5.85 0.41 -1.25 115.31 122.48 2jjm h LEU 244 Ca 0.13 -0.33 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 2jjm h LEU 244 Cb 0.52 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2jjm h LEU 244 CO 0.03 1.12 -0.12 -0.61 -0.34 0.00 0.00 178.44 178.52 2jjm h GLN 245 N 0.94 0.57 0.55 1.25 5.75 0.54 -2.53 115.11 122.18 2jjm h GLN 245 Ca 0.15 -0.17 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 2jjm h GLN 245 Cb 0.62 -0.06 0.01 0.00 1.07 0.00 0.00 27.48 29.12 2jjm h GLN 245 CO 0.04 0.68 -0.26 1.25 -2.65 0.00 0.00 178.83 177.89 2jjm h LEU 246 N 0.52 -0.62 -2.13 -2.39 5.85 -0.50 -1.78 115.31 114.25 2jjm h LEU 246 Ca 0.09 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.84 2jjm h LEU 246 Cb 0.52 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2jjm h LEU 246 CO 0.03 -0.24 0.30 -0.37 -0.34 0.00 0.00 178.44 177.82 2jjm h VAL 247 N -1.07 0.34 0.28 1.05 -1.51 -1.25 -2.47 116.25 111.62 2jjm h VAL 247 Ca -0.07 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.38 2jjm h VAL 247 Cb 0.63 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 2jjm h VAL 247 CO 0.12 0.00 -0.13 0.50 -1.23 0.00 0.00 177.57 176.83 2jjm h LYS 248 N 0.00 -0.36 -0.96 5.19 3.64 -1.20 -2.06 116.57 120.81 2jjm h LYS 248 Ca 0.11 0.02 -0.31 0.00 -1.27 0.00 0.00 60.65 59.20 2jjm h LYS 248 Cb 0.71 0.08 -0.19 0.00 -0.41 0.00 0.00 32.23 32.43 2jjm h LYS 248 CO -0.00 -0.02 0.40 0.27 -2.27 0.00 0.00 179.45 177.83 2jjm n ASN 249 N -5.06 3.64 0.00 4.20 0.23 -0.69 -3.32 115.26 114.26 2jjm n ASN 249 Ca -0.09 -3.06 0.00 0.00 -0.53 0.00 0.00 54.58 50.90 2jjm n ASN 249 Cb 0.26 -0.72 0.00 0.00 -2.08 0.00 0.00 39.78 37.24 2jjm n ASN 249 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2jjm n LEU 250 N -0.51 0.90 -2.89 -4.53 7.94 -0.96 -5.01 117.00 111.95 2jjm n LEU 250 Ca 0.39 -0.90 -0.19 0.00 -1.11 0.00 0.00 56.01 54.19 2jjm n LEU 250 Cb 1.27 0.00 0.00 0.00 0.53 0.00 0.00 43.42 45.23 2jjm n LEU 250 CO 0.40 0.23 -0.09 1.41 -1.11 0.00 0.00 177.39 178.23 2jjm n HIS 251 N -0.03 -1.64 0.10 1.96 8.25 -1.21 -4.79 115.22 117.86 2jjm n HIS 251 Ca 0.00 0.29 0.03 0.00 -0.26 0.00 0.00 57.72 57.78 2jjm n HIS 251 Cb 0.06 -3.38 0.05 0.00 1.12 0.00 0.00 29.99 27.84 2jjm n HIS 251 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2jjm n ILE 252 N -3.92 0.43 -0.33 1.59 5.41 -1.04 -4.77 119.36 116.73 2jjm n ILE 252 Ca -0.10 -0.71 0.26 0.00 1.00 0.00 0.00 62.75 63.20 2jjm n ILE 252 Cb 0.60 0.86 0.50 0.00 -0.71 0.00 0.00 39.64 40.88 2jjm n ILE 252 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2jjm h GLU 253 N 1.15 0.02 -0.84 0.38 4.22 -1.68 0.94 114.58 118.76 2jjm h GLU 253 Ca 0.00 -0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.32 2jjm h GLU 253 Cb 0.41 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.58 2jjm h GLU 253 CO 0.00 0.01 0.15 -0.40 -2.18 0.00 0.00 179.01 176.59 2jjm n ASP 254 N -5.32 3.79 -0.09 1.04 5.68 -1.26 -3.79 116.55 116.59 2jjm n ASP 254 Ca 0.33 -2.74 0.02 0.00 -0.50 0.00 0.00 54.79 51.90 2jjm n ASP 254 Cb 1.12 -0.65 0.02 0.00 -1.14 0.00 0.00 41.12 40.47 2jjm n ASP 254 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2jjm n ARG 255 N 0.05 1.16 -4.19 0.11 1.74 0.32 -5.02 116.66 110.84 2jjm n ARG 255 Ca 0.25 -1.22 -0.19 0.00 -0.77 0.00 0.00 57.85 55.92 2jjm n ARG 255 Cb 0.99 -0.81 -0.16 0.00 -1.02 0.00 0.00 32.46 31.46 2jjm n ARG 255 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2jjm s VAL 256 N -0.76 0.51 -0.88 1.55 1.01 -1.22 -1.34 120.40 119.27 2jjm s VAL 256 Ca 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 2jjm s VAL 256 Cb 0.04 -0.50 0.26 0.00 0.00 0.00 0.00 36.38 36.18 2jjm s VAL 256 CO 0.00 0.19 1.01 0.18 0.00 0.00 0.00 175.10 176.48 2jjm n LEU 257 N 3.62 4.81 -4.67 3.92 4.32 -0.05 -4.96 117.00 123.99 2jjm n LEU 257 Ca -0.21 -5.26 -0.52 0.00 -0.02 0.00 0.00 56.01 50.00 2jjm n LEU 257 Cb 0.53 -1.03 -0.06 0.00 -1.62 0.00 0.00 43.42 41.25 2jjm n LEU 257 CO 0.24 1.76 1.23 0.49 -1.22 0.00 0.00 177.39 179.89 2jjm n PHE 258 N 1.53 2.00 0.52 -1.77 3.72 -1.26 -3.74 117.46 118.45 2jjm n PHE 258 Ca 0.26 0.41 0.07 0.00 -0.05 0.00 0.00 57.45 58.14 2jjm n PHE 258 Cb 0.37 -2.48 0.08 0.00 -0.94 0.00 0.00 39.48 36.51 2jjm n PHE 258 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2jjm n LEU 259 N 4.60 2.38 0.00 4.37 4.32 -0.84 -4.94 117.00 126.89 2jjm n LEU 259 Ca 0.22 -1.13 0.09 0.00 -0.02 0.00 0.00 56.01 55.18 2jjm n LEU 259 Cb 0.20 -0.04 -0.02 0.00 -1.62 0.00 0.00 43.42 41.94 2jjm n LEU 259 CO 0.72 0.46 -0.13 0.61 -1.22 0.00 0.00 177.39 177.83 2jjm n GLY 260 N 0.85 -1.77 3.65 -0.72 0.00 -1.25 -4.54 105.19 101.40 2jjm n GLY 260 Ca 0.10 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 2jjm n GLY 260 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jjm s LYS 261 N -1.25 4.16 0.38 1.61 -2.85 -1.23 -0.65 119.74 119.91 2jjm s LYS 261 Ca 0.00 1.29 0.07 0.00 -1.00 0.00 0.00 55.97 56.34 2jjm s LYS 261 Cb 0.00 -3.71 -0.01 0.00 -2.06 0.00 0.00 37.83 32.05 2jjm s LYS 261 CO 0.00 -0.78 0.46 -0.65 0.10 0.00 0.00 175.35 174.49 2jjm s GLN 262 N 3.48 2.84 -0.01 1.78 -1.52 -1.26 -4.85 119.66 120.12 2jjm s GLN 262 Ca 0.47 -1.24 -0.01 0.00 -1.95 0.00 0.00 55.36 52.63 2jjm s GLN 262 Cb -0.15 -2.66 -0.01 0.00 -0.22 0.00 0.00 33.01 29.97 2jjm s GLN 262 CO 0.12 -0.11 -0.02 -3.47 -0.25 0.00 0.00 175.29 171.57 2jjm n ASP 263 N -1.66 0.61 -3.77 5.90 2.03 -1.26 -4.77 116.55 113.63 2jjm n ASP 263 Ca 0.03 0.01 -0.42 0.00 0.52 0.00 0.00 54.79 54.94 2jjm n ASP 263 Cb 0.59 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 2jjm n ASP 263 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2jjm n ASN 264 N -2.99 5.03 0.00 1.67 4.13 -1.26 -4.70 115.26 117.13 2jjm n ASN 264 Ca -0.03 -3.00 0.14 0.00 1.68 0.00 0.00 54.58 53.37 2jjm n ASN 264 Cb 0.52 -1.53 0.74 0.00 -1.54 0.00 0.00 39.78 37.97 2jjm n ASN 264 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 2jjm n VAL 265 N 3.81 0.07 -0.32 2.41 3.14 -1.26 -3.88 118.33 122.30 2jjm n VAL 265 Ca 0.47 0.02 0.04 0.00 -2.96 0.00 0.00 64.34 61.91 2jjm n VAL 265 Cb 0.36 -0.57 0.19 0.00 -1.06 0.00 0.00 33.84 32.76 2jjm n VAL 265 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jjm h ALA 266 N 3.47 1.31 -0.24 1.55 0.00 -1.90 -1.43 119.26 122.03 2jjm h ALA 266 Ca 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 2jjm h ALA 266 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2jjm h ALA 266 CO 0.00 0.16 -0.46 0.93 0.00 0.00 0.00 179.25 179.88 2jjm h GLU 267 N 0.89 0.61 -0.19 0.00 5.08 -1.91 -2.30 114.58 116.75 2jjm h GLU 267 Ca 0.44 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2jjm h GLU 267 Cb 0.40 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2jjm h GLU 267 CO -0.25 0.94 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.62 2jjm h LEU 268 N 0.49 0.34 -0.93 1.33 3.38 -1.58 -2.81 115.31 115.53 2jjm h LEU 268 Ca 0.03 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2jjm h LEU 268 Cb 0.99 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 2jjm h LEU 268 CO 0.09 0.59 0.55 -0.07 0.09 0.00 0.00 178.44 179.69 2jjm h LEU 269 N 0.09 1.13 -0.57 1.67 3.38 -1.29 -2.66 115.31 117.06 2jjm h LEU 269 Ca 0.05 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.06 2jjm h LEU 269 Cb 0.42 -0.29 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 2jjm h LEU 269 CO 0.01 0.87 0.00 0.00 0.09 0.00 0.00 178.44 179.42 2jjm h ALA 270 N 1.30 0.55 -0.39 1.53 0.00 -1.20 -0.35 119.26 120.70 2jjm h ALA 270 Ca 0.33 0.17 -0.19 0.00 0.00 0.00 0.00 54.91 55.23 2jjm h ALA 270 Cb -0.04 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 17.93 2jjm h ALA 270 CO -0.06 -0.39 0.24 0.00 0.00 0.00 0.00 179.25 179.04 2jjm n MET 271 N -5.26 1.63 -4.16 0.00 0.00 -1.01 -4.65 117.12 103.67 2jjm n MET 271 Ca 0.07 -1.24 -0.24 0.00 0.00 0.00 0.00 57.70 56.30 2jjm n MET 271 Cb 0.32 -1.52 -0.07 0.00 0.00 0.00 0.00 33.22 31.95 2jjm n MET 271 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2jjm s SER 272 N 0.02 4.53 -0.01 3.17 0.01 -0.14 -4.83 113.70 116.44 2jjm s SER 272 Ca 0.23 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.64 2jjm s SER 272 Cb 0.19 -0.65 -0.01 0.00 0.21 0.00 0.00 66.02 65.76 2jjm s SER 272 CO 0.05 -0.31 -0.00 0.47 0.41 0.00 0.00 173.24 173.86 2jjm n ASP 273 N -1.11 4.18 -3.82 2.44 8.00 0.05 -4.88 116.55 121.42 2jjm n ASP 273 Ca -0.03 -0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.33 2jjm n ASP 273 Cb 0.62 0.13 -0.15 0.00 -0.02 0.00 0.00 41.12 41.70 2jjm n ASP 273 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jjm s LEU 274 N -4.78 1.47 -0.10 0.64 2.96 -0.94 -4.02 118.68 113.91 2jjm s LEU 274 Ca -0.01 0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 53.94 2jjm s LEU 274 Cb 0.00 0.04 -0.03 0.00 0.50 0.00 0.00 46.19 46.70 2jjm s LEU 274 CO 0.02 -0.07 0.01 -0.32 -1.32 0.00 0.00 176.35 174.67 2jjm s MET 275 N 0.54 3.09 -0.03 1.98 1.75 -0.65 -1.35 119.30 124.63 2jjm s MET 275 Ca -0.04 -0.40 0.07 0.00 -1.25 0.00 0.00 55.69 54.06 2jjm s MET 275 Cb -0.06 -2.83 -0.02 0.00 2.84 0.00 0.00 34.83 34.75 2jjm s MET 275 CO -0.02 0.66 -0.23 -0.51 -0.65 0.00 0.00 175.02 174.27 2jjm s LEU 276 N -0.75 2.21 -0.29 4.11 1.43 -0.97 -1.09 118.68 123.32 2jjm s LEU 276 Ca 0.12 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 2jjm s LEU 276 Cb -0.12 -1.39 0.15 0.00 0.03 0.00 0.00 46.19 44.87 2jjm s LEU 276 CO 0.02 0.32 0.37 -0.22 0.23 0.00 0.00 176.35 177.07 2jjm s LEU 277 N -0.61 -0.57 -0.37 1.79 2.96 -1.15 -4.51 118.68 116.22 2jjm s LEU 277 Ca 0.10 -0.56 0.07 0.00 -0.22 0.00 0.00 54.13 53.51 2jjm s LEU 277 Cb -0.10 0.88 0.44 0.00 0.50 0.00 0.00 46.19 47.91 2jjm s LEU 277 CO -0.00 -0.36 1.13 0.18 -1.32 0.00 0.00 176.35 175.98 2jjm n LEU 278 N 5.30 4.51 -4.87 -0.68 4.77 -1.26 -1.04 117.00 123.74 2jjm n LEU 278 Ca 0.00 -4.89 -0.31 0.00 -0.03 0.00 0.00 56.01 50.79 2jjm n LEU 278 Cb 0.48 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 2jjm n LEU 278 CO -0.01 2.11 0.65 -0.94 -1.33 0.00 0.00 177.39 177.87 2jjm s SER 279 N -3.55 6.39 0.55 -1.43 1.04 -1.23 -4.56 113.70 110.91 2jjm s SER 279 Ca 0.47 1.38 0.33 0.00 0.48 0.00 0.00 55.95 58.62 2jjm s SER 279 Cb 0.40 -2.44 1.49 0.00 0.10 0.00 0.00 66.02 65.57 2jjm s SER 279 CO -0.09 -0.70 2.04 -0.33 0.98 0.00 0.00 173.24 175.14 2jjm h GLU 280 N 0.30 0.00 -2.46 4.02 5.08 -1.45 -3.45 114.58 116.62 2jjm h GLU 280 Ca -0.46 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.86 2jjm h GLU 280 Cb 1.19 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.28 2jjm h GLU 280 CO 0.62 0.04 0.18 0.15 -1.00 0.00 0.00 179.01 179.01 2jjm s LYS 281 N -3.80 1.14 -0.25 2.33 1.02 -1.26 -4.92 119.74 114.00 2jjm s LYS 281 Ca -0.00 -0.07 -0.29 0.00 0.02 0.00 0.00 55.97 55.63 2jjm s LYS 281 Cb 0.10 0.53 0.16 0.00 -0.52 0.00 0.00 37.83 38.11 2jjm s LYS 281 CO 0.54 -0.42 1.22 -2.00 -0.92 0.00 0.00 175.35 173.77 2jjm s GLU 282 N -2.31 0.27 -0.02 1.68 2.56 -1.26 -4.98 118.70 114.64 2jjm s GLU 282 Ca -0.06 0.12 0.19 0.00 0.00 0.00 0.00 54.97 55.21 2jjm s GLU 282 Cb -0.00 0.13 -0.26 0.00 2.00 0.00 0.00 34.13 35.99 2jjm s GLU 282 CO -0.00 -0.08 0.51 0.43 -0.56 0.00 0.00 175.26 175.57 2jjm n SER 283 N 0.88 0.77 0.13 -1.70 7.64 -1.26 -4.12 113.62 115.96 2jjm n SER 283 Ca -0.06 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.55 2jjm n SER 283 Cb 0.58 1.60 0.00 0.00 -1.01 0.00 0.00 64.21 65.38 2jjm n SER 283 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2jjm n PHE 284 N -1.94 -2.17 -4.34 1.43 -0.00 -1.26 -4.58 117.46 104.60 2jjm n PHE 284 Ca -0.01 0.38 -0.18 0.00 -0.00 0.00 0.00 57.45 57.63 2jjm n PHE 284 Cb 0.43 0.55 -0.10 0.00 -0.00 0.00 0.00 39.48 40.35 2jjm n PHE 284 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 2jjm s GLY 285 N -4.94 1.41 0.42 7.13 0.00 -1.26 -4.37 107.32 105.71 2jjm s GLY 285 Ca 0.00 -1.64 0.11 0.00 0.00 0.00 0.00 44.72 43.18 2jjm s GLY 285 CO 0.00 -1.74 1.99 1.41 0.00 0.00 0.00 173.10 174.76 2jjm h LEU 286 N 2.60 0.19 -1.72 0.66 4.07 -1.98 -1.54 115.31 117.59 2jjm h LEU 286 Ca -0.38 -0.03 0.08 0.00 0.08 0.00 0.00 57.88 57.63 2jjm h LEU 286 Cb 1.22 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.90 2jjm h LEU 286 CO 0.61 0.28 0.53 -0.37 -1.08 0.00 0.00 178.44 178.41 2jjm h VAL 287 N 0.21 0.16 -0.58 1.22 -1.51 -1.95 7.04 116.25 120.84 2jjm h VAL 287 Ca 0.05 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.51 2jjm h VAL 287 Cb 0.24 0.53 -0.03 0.00 -2.13 0.00 0.00 31.29 29.90 2jjm h VAL 287 CO 0.01 0.00 0.32 -0.07 -1.23 0.00 0.00 177.57 176.60 2jjm h LEU 288 N 0.00 0.72 0.34 4.19 3.38 -1.64 0.32 115.31 122.62 2jjm h LEU 288 Ca 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2jjm h LEU 288 Cb 1.18 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2jjm h LEU 288 CO -0.00 0.60 -0.16 -0.07 0.09 0.00 0.00 178.44 178.90 2jjm h LEU 289 N 0.78 -0.38 -0.52 1.67 4.07 1.46 0.19 115.31 122.58 2jjm h LEU 289 Ca 0.20 -0.05 0.09 0.00 0.08 0.00 0.00 57.88 58.21 2jjm h LEU 289 Cb 0.04 0.10 -0.10 0.00 1.08 0.00 0.00 40.66 41.77 2jjm h LEU 289 CO -0.03 -0.20 -0.37 -0.33 -1.08 0.00 0.00 178.44 176.43 2jjm h GLU 290 N -0.54 -0.21 -0.02 1.13 5.08 -0.62 0.70 114.58 120.09 2jjm h GLU 290 Ca -0.05 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2jjm h GLU 290 Cb 0.41 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 2jjm h GLU 290 CO 0.08 -0.14 -0.51 0.00 -1.00 0.00 0.00 179.01 177.44 2jjm h ALA 291 N 0.78 -0.86 0.33 3.43 0.00 -0.48 -0.78 119.26 121.69 2jjm h ALA 291 Ca 0.19 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2jjm h ALA 291 Cb 0.56 0.91 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 2jjm h ALA 291 CO -0.64 -1.07 -0.31 0.52 0.00 0.00 0.00 179.25 177.75 2jjm h MET 292 N -0.63 -0.64 -1.12 0.00 2.86 0.20 0.48 114.93 116.06 2jjm h MET 292 Ca 0.03 0.04 0.33 0.00 -2.06 0.00 0.00 59.70 58.04 2jjm h MET 292 Cb 0.70 0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.46 2jjm h MET 292 CO -0.36 -0.43 1.18 0.00 1.06 0.00 0.00 176.91 178.35 2jjm n ALA 293 N -2.60 1.08 -0.75 6.32 0.00 0.24 0.32 120.51 125.12 2jjm n ALA 293 Ca -0.09 0.37 0.07 0.00 0.00 0.00 0.00 53.44 53.78 2jjm n ALA 293 Cb 0.33 -0.65 0.38 0.00 0.00 0.00 0.00 19.45 19.51 2jjm n ALA 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jjm n GLY 295 N 0.60 0.70 3.47 0.00 0.00 0.97 -4.46 105.19 106.47 2jjm n GLY 295 Ca 0.26 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 2jjm n GLY 295 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jjm s VAL 296 N -2.11 5.02 0.51 1.61 1.01 -0.91 -4.54 120.40 120.98 2jjm s VAL 296 Ca 0.00 -0.47 -0.22 0.00 0.00 0.00 0.00 61.98 61.29 2jjm s VAL 296 Cb 0.00 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.66 2jjm s VAL 296 CO 0.00 -0.10 1.27 -2.16 0.00 0.00 0.00 175.10 174.10 2jjm s PRO 297 N 1.66 3.40 0.19 2.72 0.04 -1.26 -3.59 135.00 138.16 2jjm s PRO 297 Ca 0.05 2.02 0.11 0.00 0.04 0.00 0.00 61.00 63.22 2jjm s PRO 297 Cb -0.18 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 2jjm s PRO 297 CO 0.09 -0.92 -0.24 0.00 0.04 0.00 0.00 177.00 175.98 2jjm s ILE 299 N -1.71 1.69 0.10 0.00 1.01 -0.25 -1.27 121.20 120.77 2jjm s ILE 299 Ca 0.20 -2.53 0.06 0.00 0.00 0.00 0.00 60.65 58.39 2jjm s ILE 299 Cb -0.08 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 2jjm s ILE 299 CO 0.10 -0.81 -0.05 -0.83 0.00 0.00 0.00 174.94 173.35 2jjm s GLY 300 N 0.46 1.84 0.62 6.18 0.00 -0.75 -2.91 107.32 112.77 2jjm s GLY 300 Ca 0.16 -1.20 -0.19 0.00 0.00 0.00 0.00 44.72 43.49 2jjm s GLY 300 CO -0.04 -1.18 1.30 -0.51 0.00 0.00 0.00 173.10 172.66 2jjm s THR 301 N -1.29 2.12 -1.34 0.90 -4.23 -0.20 -3.25 115.64 108.34 2jjm s THR 301 Ca 0.24 0.08 -0.17 0.00 -1.18 0.00 0.00 61.69 60.65 2jjm s THR 301 Cb -0.11 -3.03 0.06 0.00 1.34 0.00 0.00 72.50 70.76 2jjm s THR 301 CO 0.16 -0.01 1.87 -1.14 -0.54 0.00 0.00 174.62 174.96 2jjm n ARG 302 N -1.68 3.11 -4.89 3.99 0.63 -0.61 -4.72 116.66 112.49 2jjm n ARG 302 Ca 0.14 -3.10 -0.27 0.00 -0.92 0.00 0.00 57.85 53.71 2jjm n ARG 302 Cb 0.48 -3.44 -0.16 0.00 0.45 0.00 0.00 32.46 29.78 2jjm n ARG 302 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2jjm s VAL 303 N 3.93 1.53 -0.27 5.15 1.01 -1.26 -4.93 120.40 125.56 2jjm s VAL 303 Ca 0.52 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.68 2jjm s VAL 303 Cb 0.07 -1.33 -0.07 0.00 0.00 0.00 0.00 36.38 35.05 2jjm s VAL 303 CO 0.03 0.44 0.71 0.61 0.00 0.00 0.00 175.10 176.89 2jjm n GLY 304 N 3.30 -0.13 0.00 4.51 0.00 -1.26 -1.01 105.19 110.59 2jjm n GLY 304 Ca -0.19 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2jjm n GLY 304 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jjm n GLY 305 N 1.72 2.35 0.11 -0.02 0.00 -1.26 -4.13 105.19 103.97 2jjm n GLY 305 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 2jjm n GLY 305 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2jjm h ILE 306 N 0.00 1.00 0.00 -0.61 1.08 -1.28 -3.34 117.51 114.36 2jjm h ILE 306 Ca 0.00 -2.29 0.00 0.00 -0.39 0.00 0.00 64.86 62.18 2jjm h ILE 306 Cb 0.00 2.53 0.00 0.00 -3.07 0.00 0.00 36.82 36.28 2jjm h ILE 306 CO 0.00 0.54 0.28 -0.65 -0.69 0.00 0.00 178.15 177.63 2jjm h PRO 307 N -0.64 0.00 -0.00 2.37 0.11 -1.80 0.22 132.00 132.25 2jjm h PRO 307 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2jjm h PRO 307 Cb 1.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.63 2jjm h PRO 307 CO -0.07 0.00 -0.23 0.39 -0.21 0.00 0.00 178.00 177.88 2jjm n GLU 308 N -2.73 0.58 -0.02 1.05 1.02 -1.25 -4.18 120.64 115.10 2jjm n GLU 308 Ca -0.02 -0.28 -0.02 0.00 -0.02 0.00 0.00 57.16 56.82 2jjm n GLU 308 Cb 0.32 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.22 2jjm n GLU 308 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2jjm n VAL 309 N -0.97 0.25 -3.62 2.62 0.24 0.65 -4.97 118.33 112.52 2jjm n VAL 309 Ca 0.11 -0.13 -0.39 0.00 -2.04 0.00 0.00 64.34 61.90 2jjm n VAL 309 Cb 0.32 -0.79 -0.11 0.00 -1.47 0.00 0.00 33.84 31.79 2jjm n VAL 309 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2jjm s ILE 310 N -2.09 4.81 -0.37 1.34 1.01 -0.46 -5.01 121.20 120.43 2jjm s ILE 310 Ca -0.04 -0.32 -0.08 0.00 0.00 0.00 0.00 60.65 60.20 2jjm s ILE 310 Cb 0.01 -3.44 0.05 0.00 0.01 0.00 0.00 42.46 39.09 2jjm s ILE 310 CO 0.13 0.07 0.18 0.00 0.00 0.00 0.00 174.94 175.32 2jjm s GLN 311 N 1.65 2.66 -0.33 2.79 -2.07 -1.26 -4.56 119.66 118.55 2jjm s GLN 311 Ca 0.05 -1.24 -0.42 0.00 -1.82 0.00 0.00 55.36 51.93 2jjm s GLN 311 Cb -0.17 -3.63 -0.17 0.00 -1.09 0.00 0.00 33.01 27.95 2jjm s GLN 311 CO 0.08 -0.77 1.69 1.58 -1.32 0.00 0.00 175.29 176.55 2jjm n HIS 312 N 4.89 1.95 0.00 9.60 -0.00 -1.25 -0.14 115.22 130.27 2jjm n HIS 312 Ca -0.11 0.70 0.00 0.00 -0.00 0.00 0.00 57.72 58.31 2jjm n HIS 312 Cb 0.44 -2.39 0.00 0.00 -0.00 0.00 0.00 29.99 28.04 2jjm n HIS 312 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jjm n GLY 313 N 4.09 3.21 0.17 1.57 0.00 0.90 -4.71 105.19 110.41 2jjm n GLY 313 Ca 0.27 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 2jjm n GLY 313 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jjm n ASP 314 N 0.00 1.96 0.00 1.61 2.03 0.80 -4.72 116.55 118.22 2jjm n ASP 314 Ca 0.00 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.41 2jjm n ASP 314 Cb 0.00 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 2jjm n ASP 314 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2jjm n THR 315 N -3.70 0.42 -3.78 5.18 -2.24 -0.48 -4.43 114.28 105.25 2jjm n THR 315 Ca -0.46 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 2jjm n THR 315 Cb 0.90 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 70.04 2jjm n THR 315 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jjm n GLY 316 N -0.21 -1.12 3.11 3.38 0.00 -1.25 -4.11 105.19 104.99 2jjm n GLY 316 Ca 0.00 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 2jjm n GLY 316 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jjm s TYR 317 N -3.00 0.80 0.48 1.61 1.51 -0.40 0.30 117.35 118.66 2jjm s TYR 317 Ca 0.00 -0.62 0.04 0.00 -1.01 0.00 0.00 57.07 55.48 2jjm s TYR 317 Cb 0.00 -0.47 -0.03 0.00 -0.11 0.00 0.00 41.96 41.35 2jjm s TYR 317 CO 0.00 -0.08 0.05 -0.51 -1.11 0.00 0.00 175.55 173.90 2jjm s LEU 318 N -2.05 2.56 0.00 -1.29 1.43 -1.26 -1.80 118.68 116.28 2jjm s LEU 318 Ca -0.02 -1.49 0.00 0.00 -1.03 0.00 0.00 54.13 51.58 2jjm s LEU 318 Cb -0.05 -0.88 0.00 0.00 0.03 0.00 0.00 46.19 45.29 2jjm s LEU 318 CO -0.01 -0.73 0.00 0.00 0.23 0.00 0.00 176.35 175.84 2jjm s GLU 320 N -2.00 2.05 0.29 0.00 8.01 -1.26 -1.58 118.70 124.22 2jjm s GLU 320 Ca 0.00 1.76 -0.29 0.00 0.01 0.00 0.00 54.97 56.45 2jjm s GLU 320 Cb 0.00 -1.82 -0.10 0.00 -4.31 0.00 0.00 34.13 27.90 2jjm s GLU 320 CO 0.00 -1.90 1.15 0.14 0.01 0.00 0.00 175.26 174.66 2jjm s VAL 321 N -2.01 3.29 0.00 2.63 -7.23 -1.26 -3.06 120.40 112.76 2jjm s VAL 321 Ca 0.74 1.30 0.00 0.00 -1.81 0.00 0.00 61.98 62.21 2jjm s VAL 321 Cb -0.29 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 32.83 2jjm s VAL 321 CO 0.46 0.31 0.00 0.61 -0.31 0.00 0.00 175.10 176.17 2jjm n GLY 322 N 1.08 1.55 2.32 2.32 0.00 -1.26 -4.95 105.19 106.25 2jjm n GLY 322 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2jjm n GLY 322 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jjm n ASP 323 N 0.00 7.69 -0.19 1.61 -0.08 -1.17 -4.68 116.55 119.72 2jjm n ASP 323 Ca 0.00 -2.51 0.00 0.00 -1.51 0.00 0.00 54.79 50.77 2jjm n ASP 323 Cb 0.00 -1.46 0.09 0.00 2.34 0.00 0.00 41.12 42.09 2jjm n ASP 323 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2jjm h THR 324 N 2.94 0.52 0.32 5.18 1.35 -1.89 -1.01 112.91 120.33 2jjm h THR 324 Ca 0.73 -0.04 -0.01 0.00 -0.55 0.00 0.00 66.41 66.54 2jjm h THR 324 Cb 0.41 0.40 -0.00 0.00 -1.73 0.00 0.00 68.15 67.22 2jjm h THR 324 CO 1.54 0.02 -0.19 0.71 -0.25 0.00 0.00 175.52 177.35 2jjm h THR 325 N 0.11 0.61 -0.83 6.82 1.35 -1.92 -1.93 112.91 117.12 2jjm h THR 325 Ca 0.30 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 66.25 2jjm h THR 325 Cb 0.48 0.61 -0.06 0.00 -1.73 0.00 0.00 68.15 67.45 2jjm h THR 325 CO -0.50 0.00 0.54 1.23 -0.25 0.00 0.00 175.52 176.54 2jjm h GLY 326 N -0.49 1.14 0.79 5.82 0.00 -1.80 -1.15 103.07 107.39 2jjm h GLY 326 Ca -0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2jjm h GLY 326 CO 0.04 0.21 0.02 -2.08 0.00 0.00 0.00 176.54 174.73 2jjm h VAL 327 N 0.82 1.22 -0.34 4.60 2.07 -0.98 -1.55 116.25 122.09 2jjm h VAL 327 Ca 0.37 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 67.26 2jjm h VAL 327 Cb 0.37 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 2jjm h VAL 327 CO -0.15 0.20 0.08 0.00 0.02 0.00 0.00 177.57 177.72 2jjm h ALA 328 N 0.79 0.37 -0.24 1.67 0.00 -0.71 0.04 119.26 121.18 2jjm h ALA 328 Ca 0.03 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2jjm h ALA 328 Cb 0.29 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2jjm h ALA 328 CO 0.00 -0.32 0.02 -0.44 0.00 0.00 0.00 179.25 178.51 2jjm h ASP 329 N 0.20 -0.04 -0.42 0.00 3.45 -1.17 0.24 116.42 118.69 2jjm h ASP 329 Ca 0.16 0.05 -0.02 0.00 0.43 0.00 0.00 57.03 57.65 2jjm h ASP 329 Cb 0.17 0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 38.99 2jjm h ASP 329 CO -0.20 0.01 0.21 -0.61 -1.57 0.00 0.00 179.24 177.08 2jjm h GLN 330 N 0.11 0.65 0.38 3.56 5.75 -0.81 -2.41 115.11 122.34 2jjm h GLN 330 Ca 0.11 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 2jjm h GLN 330 Cb 0.13 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.56 2jjm h GLN 330 CO -0.17 0.52 -0.18 0.00 -2.65 0.00 0.00 178.83 176.35 2jjm h ALA 331 N 1.58 -0.50 -0.94 3.38 0.00 0.07 -2.86 119.26 119.98 2jjm h ALA 331 Ca 0.16 -0.15 0.22 0.00 0.00 0.00 0.00 54.91 55.14 2jjm h ALA 331 Cb 0.09 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 17.96 2jjm h ALA 331 CO -0.02 -0.50 0.50 -0.84 0.00 0.00 0.00 179.25 178.39 2jjm h ILE 332 N -1.07 0.55 0.14 0.00 -0.00 -0.57 0.12 117.51 116.68 2jjm h ILE 332 Ca -0.05 -0.18 -0.01 0.00 -0.00 0.00 0.00 64.86 64.62 2jjm h ILE 332 Cb 0.47 -0.03 0.00 0.00 -0.00 0.00 0.00 36.82 37.26 2jjm h ILE 332 CO 0.08 0.10 -0.07 -0.61 -0.00 0.00 0.00 178.15 177.65 2jjm h GLN 333 N 0.54 -0.18 0.00 0.16 -0.00 -1.50 -3.06 115.11 111.06 2jjm h GLN 333 Ca 0.58 0.01 -0.05 0.00 -0.00 0.00 0.00 58.65 59.20 2jjm h GLN 333 Cb 1.06 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 28.58 2jjm h GLN 333 CO -0.47 -0.02 -0.24 1.25 0.00 0.00 0.00 178.83 179.35 2jjm h LEU 334 N -0.31 0.00 -0.64 -2.39 5.85 -0.98 -3.02 115.31 113.83 2jjm h LEU 334 Ca -0.02 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.56 2jjm h LEU 334 Cb 0.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2jjm h LEU 334 CO 0.03 0.24 -0.50 -0.07 -0.34 0.00 0.00 178.44 177.80 2jjm h LEU 335 N 0.00 0.51 0.00 2.25 3.38 -0.72 -3.35 115.31 117.37 2jjm h LEU 335 Ca -0.00 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.60 2jjm h LEU 335 Cb 0.64 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2jjm h LEU 335 CO 0.03 0.92 -0.66 0.07 0.09 0.00 0.00 178.44 178.89 2jjm h LYS 336 N 0.37 0.00 -6.19 1.13 2.10 -1.56 -3.43 116.57 108.98 2jjm h LYS 336 Ca 0.02 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 58.07 2jjm h LYS 336 Cb 1.00 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.34 2jjm h LYS 336 CO 0.09 0.81 1.25 -3.47 -2.00 0.00 0.00 179.45 176.13 2jjm n ASP 337 N -4.54 3.40 0.00 7.07 -0.08 -1.14 -4.72 116.55 116.54 2jjm n ASP 337 Ca -0.19 0.72 0.11 0.00 -1.51 0.00 0.00 54.79 53.92 2jjm n ASP 337 Cb 0.51 -1.43 -0.06 0.00 2.34 0.00 0.00 41.12 42.48 2jjm n ASP 337 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2jjm n GLU 338 N 7.49 0.19 0.19 -0.67 2.13 -1.26 -3.52 120.64 125.19 2jjm n GLU 338 Ca 0.26 -0.04 -0.09 0.00 0.66 0.00 0.00 57.16 57.96 2jjm n GLU 338 Cb 0.34 -1.53 -0.04 0.00 0.27 0.00 0.00 31.44 30.48 2jjm n GLU 338 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2jjm h GLU 339 N 0.00 -0.55 -0.89 5.31 4.39 -1.94 -2.43 114.58 118.48 2jjm h GLU 339 Ca 0.00 0.04 0.12 0.00 0.34 0.00 0.00 59.36 59.86 2jjm h GLU 339 Cb 0.65 0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 29.34 2jjm h GLU 339 CO 0.00 -0.36 0.51 1.25 -1.16 0.00 0.00 179.01 179.25 2jjm h LEU 340 N -1.15 0.70 -1.01 1.33 5.85 -1.92 -1.54 115.31 117.56 2jjm h LEU 340 Ca -0.06 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 2jjm h LEU 340 Cb 0.44 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2jjm h LEU 340 CO 0.10 0.36 -0.26 -0.74 -0.34 0.00 0.00 178.44 177.55 2jjm h HIS 341 N 0.79 0.43 -0.01 1.25 2.76 -1.63 0.12 115.15 118.86 2jjm h HIS 341 Ca 0.45 -0.09 -0.19 0.00 -2.20 0.00 0.00 60.37 58.34 2jjm h HIS 341 Cb 0.51 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 2jjm h HIS 341 CO -0.05 0.62 -0.84 0.00 -1.30 0.00 0.00 177.93 176.36 2jjm h ARG 342 N 0.34 0.25 0.14 5.26 2.47 -0.81 -2.65 114.38 119.39 2jjm h ARG 342 Ca 0.05 -0.25 -0.01 0.00 -1.26 0.00 0.00 59.98 58.52 2jjm h ARG 342 Cb 0.65 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 2jjm h ARG 342 CO 0.05 0.95 -0.07 -0.91 0.56 0.00 0.00 179.97 180.55 2jjm h ASN 343 N 0.15 -0.16 0.16 7.04 2.35 -1.09 -2.70 115.58 121.32 2jjm h ASN 343 Ca -0.04 -0.38 0.01 0.00 -0.55 0.00 0.00 56.30 55.34 2jjm h ASN 343 Cb 1.45 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.83 2jjm h ASN 343 CO 0.13 0.39 -0.26 -0.03 -1.65 0.00 0.00 177.43 176.01 2jjm h MET 344 N -0.81 -0.47 -0.47 0.81 4.05 -0.86 0.72 114.93 117.89 2jjm h MET 344 Ca -0.02 0.03 0.14 0.00 -0.28 0.00 0.00 59.70 59.57 2jjm h MET 344 Cb 0.54 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.43 2jjm h MET 344 CO 0.03 -0.31 0.42 0.78 0.23 0.00 0.00 176.91 178.05 2jjm h GLY 345 N -0.49 0.00 0.30 1.39 0.00 -1.57 0.39 103.07 103.08 2jjm h GLY 345 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.16 2jjm h GLY 345 CO -0.12 0.00 -0.95 -2.09 0.00 0.00 0.00 176.54 173.37 2jjm h GLU 346 N 0.00 0.13 -0.34 4.80 4.57 -0.82 -3.09 114.58 119.83 2jjm h GLU 346 Ca 0.22 -0.22 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 2jjm h GLU 346 Cb 1.05 0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 29.64 2jjm h GLU 346 CO -0.00 1.11 -0.20 0.00 -1.18 0.00 0.00 179.01 178.73 2jjm h ARG 347 N -0.65 -0.15 0.25 1.92 2.47 0.16 -2.49 114.38 115.89 2jjm h ARG 347 Ca -0.22 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.51 2jjm h ARG 347 Cb 1.45 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.78 2jjm h ARG 347 CO -0.01 -0.10 -0.35 0.00 0.56 0.00 0.00 179.97 180.07 2jjm h ALA 348 N 1.04 -0.97 0.00 0.04 0.00 -0.41 -0.28 119.26 118.68 2jjm h ALA 348 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2jjm h ALA 348 Cb 0.42 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2jjm h ALA 348 CO -0.44 -1.01 0.00 2.89 0.00 0.00 0.00 179.25 180.69 2jjm n ARG 349 N -4.49 0.03 -0.10 0.00 1.85 -1.16 -1.84 116.66 110.96 2jjm n ARG 349 Ca -0.07 0.18 -0.17 0.00 -1.00 0.00 0.00 57.85 56.79 2jjm n ARG 349 Cb 0.30 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.14 2jjm n ARG 349 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2jjm n GLU 350 N -1.19 0.53 0.34 2.89 1.02 -0.51 -3.45 120.64 120.28 2jjm n GLU 350 Ca 0.01 0.44 0.22 0.00 -0.02 0.00 0.00 57.16 57.81 2jjm n GLU 350 Cb 0.01 -1.63 1.17 0.00 -0.02 0.00 0.00 31.44 30.97 2jjm n GLU 350 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2jjm h SER 351 N -1.00 0.00 0.07 1.62 4.64 -0.46 0.11 113.55 118.54 2jjm h SER 351 Ca -0.28 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2jjm h SER 351 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2jjm h SER 351 CO -0.17 0.00 -0.03 0.58 -0.87 0.00 0.00 176.83 176.34 2jjm h VAL 352 N 0.00 1.19 -0.33 0.95 2.07 -1.52 -2.67 116.25 115.94 2jjm h VAL 352 Ca 0.00 -1.43 0.05 0.00 0.82 0.00 0.00 66.70 66.15 2jjm h VAL 352 Cb 0.09 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 2jjm h VAL 352 CO -0.00 0.33 0.22 0.22 0.02 0.00 0.00 177.57 178.36 2jjm h TYR 353 N -0.80 0.21 0.86 1.57 3.20 -1.11 -0.69 116.97 120.21 2jjm h TYR 353 Ca -0.01 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 2jjm h TYR 353 Cb 0.61 -0.07 0.01 0.00 1.54 0.00 0.00 36.73 38.82 2jjm h TYR 353 CO 0.13 0.12 -0.42 0.93 -1.64 0.00 0.00 178.16 177.28 2jjm h GLU 354 N 0.21 -1.12 -0.00 1.82 4.39 -0.81 -3.20 114.58 115.87 2jjm h GLU 354 Ca 0.14 0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.92 2jjm h GLU 354 Cb 0.31 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2jjm h GLU 354 CO -0.03 -0.74 -0.22 0.00 -1.16 0.00 0.00 179.01 176.87 2jjm n GLN 355 N -5.57 3.74 -0.03 2.33 10.64 -1.01 -4.65 117.38 122.83 2jjm n GLN 355 Ca -0.15 -0.23 0.03 0.00 -1.83 0.00 0.00 57.00 54.83 2jjm n GLN 355 Cb 0.46 -0.87 0.05 0.00 -0.86 0.00 0.00 30.24 29.02 2jjm n GLN 355 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2jjm n PHE 356 N -0.76 0.00 -1.66 2.61 3.72 -0.28 -4.93 117.46 116.15 2jjm n PHE 356 Ca 0.02 -0.63 -0.55 0.00 -0.05 0.00 0.00 57.45 56.23 2jjm n PHE 356 Cb 0.11 -0.08 -0.07 0.00 -0.94 0.00 0.00 39.48 38.51 2jjm n PHE 356 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 2jjm n ARG 357 N -0.78 1.16 0.02 -1.08 3.00 -1.10 -4.34 116.66 113.55 2jjm n ARG 357 Ca 0.05 0.42 -0.10 0.00 -0.00 0.00 0.00 57.85 58.23 2jjm n ARG 357 Cb 0.40 -2.09 -0.03 0.00 0.00 0.00 0.00 32.46 30.73 2jjm n ARG 357 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2jjm h SER 358 N 6.17 -0.59 -0.09 6.15 4.64 -1.90 -1.02 113.55 126.92 2jjm h SER 358 Ca -0.47 0.10 0.02 0.00 -0.47 0.00 0.00 61.79 60.97 2jjm h SER 358 Cb 1.32 0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 63.67 2jjm h SER 358 CO 0.89 -0.25 0.08 1.05 -0.87 0.00 0.00 176.83 177.73 2jjm h GLU 359 N -0.27 0.00 0.27 4.77 -0.00 -1.91 -0.77 114.58 116.67 2jjm h GLU 359 Ca 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.43 2jjm h GLU 359 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.14 2jjm h GLU 359 CO -0.24 0.00 -0.13 -0.22 -0.00 0.00 0.00 179.01 178.42 2jjm h LYS 360 N 0.00 -0.35 -0.48 1.06 3.64 -1.58 -2.94 116.57 115.92 2jjm h LYS 360 Ca 0.04 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 2jjm h LYS 360 Cb 0.20 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 2jjm h LYS 360 CO -0.00 -0.04 0.25 0.82 -2.27 0.00 0.00 179.45 178.21 2jjm h ILE 361 N -0.98 0.98 -0.94 2.00 5.03 -1.02 -0.97 117.51 121.61 2jjm h ILE 361 Ca -0.04 -0.17 0.13 0.00 -0.12 0.00 0.00 64.86 64.66 2jjm h ILE 361 Cb 0.47 0.44 -0.08 0.00 -3.03 0.00 0.00 36.82 34.62 2jjm h ILE 361 CO 0.06 0.09 0.60 0.58 -0.68 0.00 0.00 178.15 178.80 2jjm h VAL 362 N 0.50 0.89 0.00 1.67 2.07 -1.25 0.42 116.25 120.55 2jjm h VAL 362 Ca 0.21 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 2jjm h VAL 362 Cb 0.10 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 2jjm h VAL 362 CO -0.14 0.16 -0.30 0.28 0.02 0.00 0.00 177.57 177.59 2jjm h SER 363 N 0.85 0.00 -0.22 0.57 0.02 -1.00 -0.37 113.55 113.41 2jjm h SER 363 Ca 0.46 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.36 2jjm h SER 363 Cb 0.57 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2jjm h SER 363 CO -0.23 0.30 -0.07 1.56 -1.14 0.00 0.00 176.83 177.26 2jjm h GLN 364 N 0.00 0.43 -0.80 3.45 4.20 -0.53 -0.15 115.11 121.71 2jjm h GLN 364 Ca -0.00 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 2jjm h GLN 364 Cb 0.58 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 2jjm h GLN 364 CO 0.04 0.68 0.33 1.88 -0.67 0.00 0.00 178.83 181.09 2jjm h TYR 365 N 0.15 1.21 -0.50 2.96 -1.99 -1.09 -0.52 116.97 117.20 2jjm h TYR 365 Ca 0.05 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.70 2jjm h TYR 365 Cb 0.53 -0.36 -0.02 0.00 2.00 0.00 0.00 36.73 38.88 2jjm h TYR 365 CO 0.06 0.91 0.31 1.49 -0.00 0.00 0.00 178.16 180.93 2jjm h GLU 366 N 1.16 0.67 -0.02 4.88 4.81 -0.84 -1.60 114.58 123.65 2jjm h GLU 366 Ca 0.27 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.32 2jjm h GLU 366 Cb 0.20 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2jjm h GLU 366 CO -0.02 0.47 -0.57 1.79 -0.73 0.00 0.00 179.01 179.95 2jjm h THR 367 N 0.67 1.40 -0.70 0.32 1.35 -0.61 -2.64 112.91 112.70 2jjm h THR 367 Ca 0.18 -1.94 -0.02 0.00 -0.55 0.00 0.00 66.41 64.09 2jjm h THR 367 Cb -0.04 2.03 -0.03 0.00 -1.73 0.00 0.00 68.15 68.38 2jjm h THR 367 CO -0.04 0.56 0.37 0.40 -0.25 0.00 0.00 175.52 176.56 2jjm h ILE 368 N 0.04 1.22 0.25 6.82 2.04 -0.32 0.72 117.51 128.27 2jjm h ILE 368 Ca -0.00 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 2jjm h ILE 368 Cb 1.01 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2jjm h ILE 368 CO 0.08 0.25 -0.12 1.88 0.00 0.00 0.00 178.15 180.23 2jjm h TYR 369 N 0.99 -0.31 -0.94 1.37 0.05 -1.04 -1.55 116.97 115.54 2jjm h TYR 369 Ca 0.25 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 59.09 2jjm h TYR 369 Cb 0.05 0.10 -0.07 0.00 1.01 0.00 0.00 36.73 37.83 2jjm h TYR 369 CO 0.01 -0.01 0.59 1.88 -1.05 0.00 0.00 178.16 179.58 2jjm h TYR 370 N -0.60 1.10 -0.70 4.88 0.05 -1.26 -2.30 116.97 118.13 2jjm h TYR 370 Ca -0.03 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 2jjm h TYR 370 Cb 0.44 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 2jjm h TYR 370 CO 0.01 0.55 0.29 -0.44 -1.05 0.00 0.00 178.16 177.53 2jjm h ASP 371 N 1.07 0.96 0.00 3.88 5.19 -0.76 -2.13 116.42 124.63 2jjm h ASP 371 Ca 0.41 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 2jjm h ASP 371 Cb 0.19 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.45 2jjm h ASP 371 CO -0.18 0.86 0.00 0.55 -3.12 0.00 0.00 179.24 177.35 2jjm n VAL 372 N -4.38 0.00 0.00 -1.35 3.14 -0.59 -4.20 118.33 110.95 2jjm n VAL 372 Ca 0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 2jjm n VAL 372 Cb 0.17 -0.71 0.00 0.00 -1.06 0.00 0.00 33.84 32.24 2jjm n VAL 372 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2jjm n LEU 373 N -0.88 0.00 0.00 6.55 4.77 -0.82 -5.01 117.00 121.61 2jjm n LEU 373 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2jjm n LEU 373 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2jjm n LEU 373 CO 0.05 0.00 0.00 -1.14 -1.33 0.00 0.00 177.39 174.97