#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ias n GLY 3 N 0.00 -0.07 0.00 3.41 0.00 -1.26 -5.12 105.19 102.15 3ias n GLY 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ias n GLY 3 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ias n PRO 4 N -3.19 0.00 -4.61 1.61 -0.05 -1.26 -5.14 135.00 122.37 3ias n PRO 4 Ca 0.00 0.00 -0.23 0.00 -0.05 0.00 0.00 63.50 63.22 3ias n PRO 4 Cb 0.16 0.00 -0.16 0.00 -0.05 0.00 0.00 33.50 33.46 3ias n PRO 4 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 3ias s ILE 5 N 0.00 1.09 -0.20 0.52 1.01 -1.26 -5.03 121.20 117.32 3ias s ILE 5 Ca 0.00 -0.55 -0.29 0.00 0.00 0.00 0.00 60.65 59.81 3ias s ILE 5 Cb 0.00 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.54 3ias s ILE 5 CO 0.00 0.32 1.08 -0.76 0.00 0.00 0.00 174.94 175.58 3ias s LEU 6 N -0.02 4.14 -0.30 2.97 1.43 -0.96 -4.94 118.68 120.99 3ias s LEU 6 Ca -0.01 1.47 0.19 0.00 -1.03 0.00 0.00 54.13 54.75 3ias s LEU 6 Cb -0.08 -3.54 0.47 0.00 0.03 0.00 0.00 46.19 43.06 3ias s LEU 6 CO 0.01 -0.66 1.20 -1.20 0.23 0.00 0.00 176.35 175.93 3ias n SER 7 N 6.17 0.63 0.00 2.29 7.64 -1.26 -1.19 113.62 127.90 3ias n SER 7 Ca 0.12 -2.21 0.00 0.00 1.01 0.00 0.00 58.87 57.79 3ias n SER 7 Cb 0.46 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 3ias n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ias n GLY 8 N -0.72 -1.07 1.80 0.23 0.00 -1.26 -3.87 105.19 100.30 3ias n GLY 8 Ca 0.01 0.39 0.07 0.00 0.00 0.00 0.00 46.02 46.49 3ias n GLY 8 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ias n LEU 9 N 0.00 5.42 -4.41 0.99 7.94 -1.26 -4.57 117.00 121.11 3ias n LEU 9 Ca 0.00 -2.75 -0.34 0.00 -1.11 0.00 0.00 56.01 51.81 3ias n LEU 9 Cb 0.00 -0.67 0.10 0.00 0.53 0.00 0.00 43.42 43.39 3ias n LEU 9 CO 0.00 0.62 -0.11 -0.67 -1.11 0.00 0.00 177.39 176.12 3ias n ASP 10 N 0.64 -2.07 0.08 1.96 -0.08 -1.26 -4.93 116.55 110.89 3ias n ASP 10 Ca 0.26 0.39 0.12 0.00 -1.51 0.00 0.00 54.79 54.04 3ias n ASP 10 Cb 1.13 -1.19 0.02 0.00 2.34 0.00 0.00 41.12 43.42 3ias n ASP 10 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3ias n PRO 11 N -1.25 0.52 -0.25 -0.67 -0.04 -1.26 -3.57 135.00 128.48 3ias n PRO 11 Ca 0.07 0.08 0.06 0.00 -0.04 0.00 0.00 63.50 63.68 3ias n PRO 11 Cb 0.53 -1.76 0.19 0.00 -0.04 0.00 0.00 33.50 32.41 3ias n PRO 11 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3ias n ARG 12 N -2.47 2.11 -2.63 0.54 1.85 -1.26 -4.83 116.66 109.97 3ias n ARG 12 Ca 0.01 -1.50 -0.42 0.00 -1.00 0.00 0.00 57.85 54.93 3ias n ARG 12 Cb 0.52 -1.40 -0.03 0.00 -1.05 0.00 0.00 32.46 30.50 3ias n ARG 12 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 3ias s PHE 13 N -1.53 3.44 -0.22 2.89 5.36 -1.23 -5.03 117.98 121.66 3ias s PHE 13 Ca 0.28 1.50 -0.04 0.00 -0.96 0.00 0.00 56.93 57.70 3ias s PHE 13 Cb 0.15 -3.25 -0.01 0.00 -0.34 0.00 0.00 43.02 39.57 3ias s PHE 13 CO 0.17 -0.51 -0.03 -1.21 -1.46 0.00 0.00 175.22 172.18 3ias s GLU 14 N 2.01 3.40 0.28 10.12 2.02 -1.26 -5.03 118.70 130.23 3ias s GLU 14 Ca 0.51 -0.61 -0.30 0.00 0.02 0.00 0.00 54.97 54.59 3ias s GLU 14 Cb -0.20 -3.04 -0.10 0.00 0.10 0.00 0.00 34.13 30.89 3ias s GLU 14 CO 0.20 -0.20 1.44 1.03 0.02 0.00 0.00 175.26 177.75 3ias s ARG 15 N 1.49 4.25 0.04 1.61 1.81 -1.26 -4.94 118.95 121.95 3ias s ARG 15 Ca 0.06 2.34 0.00 0.00 -1.72 0.00 0.00 55.73 56.41 3ias s ARG 15 Cb -0.14 -3.08 0.00 0.00 -0.45 0.00 0.00 34.95 31.28 3ias s ARG 15 CO -0.03 -0.42 0.00 2.41 -0.68 0.00 0.00 175.30 176.59 3ias n THR 16 N 1.90 0.47 0.19 0.02 -1.04 -1.26 -4.76 114.28 109.81 3ias n THR 16 Ca 0.05 0.16 -0.14 0.00 -2.04 0.00 0.00 64.05 62.08 3ias n THR 16 Cb 0.40 -1.20 -0.08 0.00 -1.82 0.00 0.00 70.33 67.63 3ias n THR 16 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3ias h LEU 17 N 0.00 -0.42 -2.07 -4.42 3.38 -1.94 -3.11 115.31 106.73 3ias h LEU 17 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3ias h LEU 17 Cb 0.00 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3ias h LEU 17 CO 0.00 -0.07 0.00 -1.22 0.09 0.00 0.00 178.44 177.24 3ias n TYR 18 N -5.18 0.93 -0.19 1.13 4.02 -1.26 -4.46 117.16 112.15 3ias n TYR 18 Ca -0.10 -0.35 0.00 0.00 -0.01 0.00 0.00 57.90 57.45 3ias n TYR 18 Cb 0.28 -0.22 0.10 0.00 -0.02 0.00 0.00 39.34 39.48 3ias n TYR 18 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3ias h ALA 19 N 3.29 0.64 -0.03 -0.72 0.00 -1.84 -2.41 119.26 118.19 3ias h ALA 19 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ias h ALA 19 Cb 1.05 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3ias h ALA 19 CO 0.18 -0.35 -0.12 0.72 0.00 0.00 0.00 179.25 179.68 3ias n HIS 20 N -5.20 0.00 -1.82 0.00 8.25 -1.26 -4.96 115.22 110.23 3ias n HIS 20 Ca 0.08 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.13 3ias n HIS 20 Cb 0.33 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.41 3ias n HIS 20 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3ias s VAL 21 N -2.04 2.27 0.00 1.59 1.01 -0.91 -1.68 120.40 120.64 3ias s VAL 21 Ca 0.24 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3ias s VAL 21 Cb 0.19 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.44 3ias s VAL 21 CO 0.36 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.08 3ias n GLY 22 N 3.65 0.96 3.71 4.51 0.00 -1.26 -5.04 105.19 111.72 3ias n GLY 22 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3ias n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ias s LYS 23 N -0.48 4.39 -0.21 1.61 -0.14 -0.68 -4.98 119.74 119.25 3ias s LYS 23 Ca 0.00 0.80 -0.39 0.00 -1.36 0.00 0.00 55.97 55.02 3ias s LYS 23 Cb 0.00 -3.47 -0.15 0.00 -1.68 0.00 0.00 37.83 32.53 3ias s LYS 23 CO 0.00 0.02 1.71 -1.91 -0.76 0.00 0.00 175.35 174.41 3ias n GLU 24 N 4.00 1.28 -2.26 1.68 2.13 -1.26 -1.72 120.64 124.49 3ias n GLU 24 Ca -0.02 0.47 -0.08 0.00 0.66 0.00 0.00 57.16 58.19 3ias n GLU 24 Cb 0.51 -2.16 0.00 0.00 0.27 0.00 0.00 31.44 30.06 3ias n GLU 24 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ias n GLY 25 N 4.02 0.12 0.00 8.31 0.00 -1.26 -4.94 105.19 111.43 3ias n GLY 25 Ca 0.25 -0.54 0.10 0.00 0.00 0.00 0.00 46.02 45.83 3ias n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ias n SER 26 N 0.48 0.00 0.00 1.61 3.41 -0.70 -3.31 113.62 115.11 3ias n SER 26 Ca -0.07 0.28 0.11 0.00 -0.26 0.00 0.00 58.87 58.92 3ias n SER 26 Cb 0.56 -0.41 -0.14 0.00 -0.26 0.00 0.00 64.21 63.96 3ias n SER 26 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 3ias n TRP 27 N -1.41 0.08 -1.58 7.33 2.14 -1.12 -4.56 117.44 118.32 3ias n TRP 27 Ca 0.07 0.02 -0.40 0.00 2.07 0.00 0.00 57.50 59.27 3ias n TRP 27 Cb 0.21 -0.43 0.03 0.00 -0.81 0.00 0.00 31.31 30.30 3ias n TRP 27 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 3ias n THR 28 N -2.13 2.77 0.11 -1.67 -1.04 -1.21 -4.75 114.28 106.36 3ias n THR 28 Ca -0.02 -0.50 0.03 0.00 -2.04 0.00 0.00 64.05 61.52 3ias n THR 28 Cb 0.52 -1.05 0.41 0.00 -1.82 0.00 0.00 70.33 68.39 3ias n THR 28 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3ias h LEU 29 N 0.97 0.26 -0.30 -4.42 6.46 -1.93 -2.25 115.31 114.09 3ias h LEU 29 Ca -0.46 -0.04 -0.20 0.00 -0.12 0.00 0.00 57.88 57.06 3ias h LEU 29 Cb 1.36 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.22 3ias h LEU 29 CO 0.53 0.35 -0.70 0.44 -0.62 0.00 0.00 178.44 178.44 3ias h ASP 30 N 0.27 0.77 0.38 1.25 5.19 -1.96 -1.69 116.42 120.63 3ias h ASP 30 Ca 0.06 -0.48 -0.03 0.00 -0.62 0.00 0.00 57.03 55.96 3ias h ASP 30 Cb 0.27 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.56 3ias h ASP 30 CO 0.01 1.25 -0.14 0.22 -3.12 0.00 0.00 179.24 177.46 3ias h TYR 31 N 0.46 0.00 0.20 4.55 3.20 -1.69 0.22 116.97 123.92 3ias h TYR 31 Ca -0.03 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.52 3ias h TYR 31 Cb 1.30 0.00 0.02 0.00 1.54 0.00 0.00 36.73 39.59 3ias h TYR 31 CO 0.07 0.14 -1.46 -0.92 -1.64 0.00 0.00 178.16 174.35 3ias h TYR 32 N 0.00 0.78 0.08 -3.82 3.20 -1.10 -3.29 116.97 112.82 3ias h TYR 32 Ca -0.00 -0.57 -0.25 0.00 3.14 0.00 0.00 58.73 61.05 3ias h TYR 32 Cb 0.37 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.61 3ias h TYR 32 CO 0.00 1.49 -1.13 -0.07 -1.64 0.00 0.00 178.16 176.81 3ias h LEU 33 N 0.12 0.41 -0.30 2.82 3.38 -0.96 -0.96 115.31 119.81 3ias h LEU 33 Ca -0.24 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.33 3ias h LEU 33 Cb 2.10 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.72 3ias h LEU 33 CO 0.24 1.27 0.00 0.54 0.09 0.00 0.00 178.44 180.58 3ias n ARG 34 N -3.58 0.04 -0.69 1.13 1.74 0.76 -1.68 116.66 114.37 3ias n ARG 34 Ca -0.07 0.47 0.06 0.00 -0.77 0.00 0.00 57.85 57.53 3ias n ARG 34 Cb 0.96 -1.61 0.19 0.00 -1.02 0.00 0.00 32.46 30.98 3ias n ARG 34 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3ias n HIS 35 N -1.69 0.00 -1.56 -1.55 8.25 -1.06 -4.96 115.22 112.64 3ias n HIS 35 Ca 0.01 -1.39 0.00 0.00 -0.26 0.00 0.00 57.72 56.08 3ias n HIS 35 Cb 0.06 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 30.93 3ias n HIS 35 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ias n GLY 36 N -0.95 0.70 0.00 -1.41 0.00 -0.68 -5.03 105.19 97.83 3ias n GLY 36 Ca 0.18 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3ias n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ias n GLY 37 N -1.15 -2.51 0.47 -0.02 0.00 -0.39 -4.24 105.19 97.35 3ias n GLY 37 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3ias n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ias n TYR 38 N 0.00 0.00 0.28 1.61 4.02 -1.26 -3.77 117.16 118.03 3ias n TYR 38 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.05 3ias n TYR 38 Cb 0.00 -0.03 0.76 0.00 -0.02 0.00 0.00 39.34 40.05 3ias n TYR 38 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 3ias h GLU 39 N 0.65 0.00 0.19 -0.72 4.57 -1.97 -1.23 114.58 116.07 3ias h GLU 39 Ca 0.00 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.91 3ias h GLU 39 Cb 0.15 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 28.77 3ias h GLU 39 CO 0.00 0.07 -1.23 1.15 -1.18 0.00 0.00 179.01 177.82 3ias h THR 40 N 0.00 1.33 -0.59 0.32 2.02 -1.84 -2.97 112.91 111.18 3ias h THR 40 Ca -0.00 -2.60 0.07 0.00 0.77 0.00 0.00 66.41 64.66 3ias h THR 40 Cb 0.41 3.06 -0.06 0.00 -1.74 0.00 0.00 68.15 69.82 3ias h THR 40 CO 0.01 0.77 0.27 0.00 0.37 0.00 0.00 175.52 176.94 3ias h ALA 41 N 0.10 0.77 0.32 6.16 0.00 -1.75 -2.67 119.26 122.19 3ias h ALA 41 Ca -0.22 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3ias h ALA 41 Cb 1.92 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 3ias h ALA 41 CO 0.20 -0.11 -0.42 -0.22 0.00 0.00 0.00 179.25 178.70 3ias h LYS 42 N 0.49 -0.73 -0.55 0.00 3.64 -1.30 -2.31 116.57 115.81 3ias h LYS 42 Ca 0.28 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.81 3ias h LYS 42 Cb 0.27 0.17 -0.11 0.00 -0.41 0.00 0.00 32.23 32.15 3ias h LYS 42 CO -0.24 -0.49 -0.37 0.00 -2.27 0.00 0.00 179.45 176.09 3ias h ARG 43 N -0.76 -0.20 -0.41 1.90 3.08 -1.40 -2.08 114.38 114.51 3ias h ARG 43 Ca -0.04 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3ias h ARG 43 Cb 0.68 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 3ias h ARG 43 CO -0.11 -0.13 0.27 0.28 -1.07 0.00 0.00 179.97 179.21 3ias h VAL 44 N -0.21 1.10 -0.58 2.04 2.07 -1.39 0.91 116.25 120.20 3ias h VAL 44 Ca 0.20 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3ias h VAL 44 Cb 0.56 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3ias h VAL 44 CO -0.66 0.10 0.32 -0.07 0.02 0.00 0.00 177.57 177.28 3ias h LEU 45 N 0.55 0.72 -0.14 2.57 3.38 -0.98 -2.93 115.31 118.48 3ias h LEU 45 Ca 0.15 -0.09 -0.18 0.00 0.09 0.00 0.00 57.88 57.85 3ias h LEU 45 Cb -0.06 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.51 3ias h LEU 45 CO -0.03 0.60 -0.62 0.11 0.09 0.00 0.00 178.44 178.59 3ias h LYS 46 N 0.78 0.67 0.00 1.13 1.57 -0.80 -3.43 116.57 116.49 3ias h LYS 46 Ca 0.20 -0.53 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3ias h LYS 46 Cb 0.04 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3ias h LYS 46 CO -0.03 1.15 0.00 0.39 -0.57 0.00 0.00 179.45 180.39 3ias n GLU 47 N -4.09 0.00 -1.64 3.15 1.02 0.26 -5.00 120.64 114.34 3ias n GLU 47 Ca -0.07 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.67 3ias n GLU 47 Cb 0.66 -0.10 0.03 0.00 -0.02 0.00 0.00 31.44 32.01 3ias n GLU 47 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3ias n LYS 48 N -0.98 1.35 -2.04 3.49 4.01 -1.11 -5.01 118.16 117.87 3ias n LYS 48 Ca 0.00 0.49 -0.28 0.00 -0.51 0.00 0.00 58.31 58.01 3ias n LYS 48 Cb 0.00 -2.20 0.06 0.00 -0.51 0.00 0.00 35.03 32.38 3ias n LYS 48 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3ias s THR 49 N -1.34 3.01 0.10 -0.18 -4.23 -1.26 -4.60 115.64 107.13 3ias s THR 49 Ca 0.67 0.16 -0.33 0.00 -1.18 0.00 0.00 61.69 61.01 3ias s THR 49 Cb -0.49 -3.30 -0.14 0.00 1.34 0.00 0.00 72.50 69.92 3ias s THR 49 CO 0.53 -0.36 1.58 -0.65 -0.54 0.00 0.00 174.62 175.18 3ias h PRO 50 N -0.64 -0.79 -0.99 3.99 0.11 -1.90 -2.40 132.00 129.38 3ias h PRO 50 Ca -0.45 0.05 0.17 0.00 0.11 0.00 0.00 66.00 65.88 3ias h PRO 50 Cb 1.28 0.18 -0.10 0.00 0.11 0.00 0.00 31.00 32.47 3ias h PRO 50 CO 0.63 -0.53 0.60 -0.44 -0.21 0.00 0.00 178.00 178.06 3ias h ASP 51 N -0.82 0.80 -0.82 -2.05 3.32 -1.91 -1.23 116.42 113.70 3ias h ASP 51 Ca -0.02 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.14 3ias h ASP 51 Cb 0.76 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.21 3ias h ASP 51 CO -0.14 0.32 0.54 -0.33 -1.72 0.00 0.00 179.24 177.91 3ias h GLU 52 N 0.80 1.04 0.00 3.56 5.08 -1.82 -1.13 114.58 122.10 3ias h GLU 52 Ca 0.55 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.76 3ias h GLU 52 Cb 0.80 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3ias h GLU 52 CO -0.36 0.69 -0.45 -0.24 -1.00 0.00 0.00 179.01 177.65 3ias h VAL 53 N 1.07 1.06 0.42 3.13 3.04 -0.80 -2.29 116.25 121.88 3ias h VAL 53 Ca 0.31 -1.69 -0.02 0.00 -1.01 0.00 0.00 66.70 64.29 3ias h VAL 53 Cb -0.05 1.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.22 3ias h VAL 53 CO -0.08 0.44 -0.20 0.40 -1.01 0.00 0.00 177.57 177.12 3ias h ILE 54 N 0.00 0.58 -0.37 3.17 2.04 -1.03 -2.72 117.51 119.19 3ias h ILE 54 Ca -0.00 -0.26 0.08 0.00 1.00 0.00 0.00 64.86 65.67 3ias h ILE 54 Cb 0.95 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3ias h ILE 54 CO 0.06 0.05 0.26 -0.33 0.00 0.00 0.00 178.15 178.18 3ias h GLU 55 N -0.72 0.13 0.00 2.37 4.39 -1.13 0.52 114.58 120.14 3ias h GLU 55 Ca -0.06 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.52 3ias h GLU 55 Cb 0.51 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 3ias h GLU 55 CO 0.09 0.09 -0.53 1.49 -1.16 0.00 0.00 179.01 178.99 3ias h GLU 56 N 0.13 0.00 0.04 2.33 4.57 -1.32 -0.14 114.58 120.19 3ias h GLU 56 Ca 0.17 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 58.06 3ias h GLU 56 Cb 0.50 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.06 3ias h GLU 56 CO -0.02 0.53 -1.61 0.28 -1.18 0.00 0.00 179.01 177.02 3ias h VAL 57 N 0.00 1.01 0.00 0.32 2.07 0.12 -1.85 116.25 117.91 3ias h VAL 57 Ca -0.01 -2.78 -0.07 0.00 0.82 0.00 0.00 66.70 64.67 3ias h VAL 57 Cb 1.00 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 33.33 3ias h VAL 57 CO 0.07 0.69 -0.31 0.50 0.02 0.00 0.00 177.57 178.54 3ias h LYS 58 N 0.02 0.00 0.02 1.57 3.64 -0.27 -2.59 116.57 118.96 3ias h LYS 58 Ca -0.25 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 58.90 3ias h LYS 58 Cb 1.98 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.78 3ias h LYS 58 CO 0.11 0.31 -1.09 -0.09 -2.27 0.00 0.00 179.45 176.41 3ias h ARG 59 N 0.00 0.05 -0.42 1.90 2.43 -1.03 -3.31 114.38 114.00 3ias h ARG 59 Ca -0.00 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.00 3ias h ARG 59 Cb 0.58 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 3ias h ARG 59 CO 0.04 1.01 -0.06 0.66 -1.51 0.00 0.00 179.97 180.11 3ias h SER 60 N 0.01 0.69 0.00 -3.80 4.64 -0.92 -3.47 113.55 110.70 3ias h SER 60 Ca -0.05 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3ias h SER 60 Cb 1.82 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 3ias h SER 60 CO 0.14 0.80 0.00 0.61 -0.87 0.00 0.00 176.83 177.51 3ias n GLY 61 N -0.58 1.12 3.71 -0.77 0.00 -1.19 -4.24 105.19 103.24 3ias n GLY 61 Ca 0.02 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3ias n GLY 61 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ias s LEU 62 N 0.00 4.35 -0.05 0.99 2.96 -1.25 -4.00 118.68 121.68 3ias s LEU 62 Ca 0.00 1.92 0.05 0.00 -0.22 0.00 0.00 54.13 55.89 3ias s LEU 62 Cb 0.00 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 3ias s LEU 62 CO 0.00 -0.46 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.24 3ias s ARG 63 N 1.28 2.45 -0.47 1.98 0.52 -1.26 -0.90 118.95 122.55 3ias s ARG 63 Ca 0.57 -0.81 -0.44 0.00 -0.52 0.00 0.00 55.73 54.53 3ias s ARG 63 Cb -0.27 -2.24 -0.19 0.00 0.52 0.00 0.00 34.95 32.77 3ias s ARG 63 CO 0.28 0.52 1.91 0.41 0.02 0.00 0.00 175.30 178.44 3ias n GLY 64 N 2.57 0.10 0.47 -3.53 0.00 0.77 -4.81 105.19 100.77 3ias n GLY 64 Ca -0.17 1.05 0.03 0.00 0.00 0.00 0.00 46.02 46.94 3ias n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ias n ARG 65 N 6.08 1.60 0.00 1.61 5.12 -1.26 -2.70 116.66 127.11 3ias n ARG 65 Ca 0.43 -0.80 0.13 0.00 -1.93 0.00 0.00 57.85 55.68 3ias n ARG 65 Cb -0.02 -1.25 0.78 0.00 -1.16 0.00 0.00 32.46 30.82 3ias n ARG 65 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ias n GLY 66 N 0.75 -0.84 0.00 -0.13 0.00 -1.26 -4.84 105.19 98.87 3ias n GLY 66 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3ias n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ias n GLY 67 N 0.67 2.73 0.00 -0.02 0.00 -1.23 -4.85 105.19 102.50 3ias n GLY 67 Ca 0.20 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3ias n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias n ALA 68 N 0.00 0.00 0.00 4.61 0.00 -1.26 -4.66 120.51 119.20 3ias n ALA 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ias n ALA 68 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.54 3ias n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ias n GLY 69 N -0.39 1.56 3.77 0.00 0.00 -1.10 -4.99 105.19 104.04 3ias n GLY 69 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3ias n GLY 69 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ias s PHE 70 N -2.00 3.87 -0.48 1.61 2.19 -1.26 -4.52 117.98 117.39 3ias s PHE 70 Ca 0.00 1.62 -0.29 0.00 0.33 0.00 0.00 56.93 58.59 3ias s PHE 70 Cb 0.00 -2.80 -0.10 0.00 -1.31 0.00 0.00 43.02 38.81 3ias s PHE 70 CO 0.00 0.45 2.37 -2.30 1.83 0.00 0.00 175.22 177.57 3ias n PRO 71 N 1.90 1.07 0.22 10.12 -0.02 -1.26 -0.16 135.00 146.87 3ias n PRO 71 Ca -0.04 0.16 0.09 0.00 -2.02 0.00 0.00 63.50 61.69 3ias n PRO 71 Cb 0.49 -2.92 0.50 0.00 -0.02 0.00 0.00 33.50 31.56 3ias n PRO 71 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3ias h THR 72 N 7.51 0.71 -0.02 3.45 1.35 -1.36 -1.21 112.91 123.34 3ias h THR 72 Ca -0.25 -1.05 -0.00 0.00 -0.55 0.00 0.00 66.41 64.56 3ias h THR 72 Cb 1.28 1.67 -0.00 0.00 -1.73 0.00 0.00 68.15 69.37 3ias h THR 72 CO 1.12 0.24 0.01 1.23 -0.25 0.00 0.00 175.52 177.87 3ias h GLY 73 N 1.59 0.03 0.98 5.82 0.00 -1.74 -2.31 103.07 107.45 3ias h GLY 73 Ca -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.33 3ias h GLY 73 CO 0.03 0.01 0.66 -2.00 0.00 0.00 0.00 176.54 175.24 3ias h LEU 74 N -0.08 1.13 -0.62 3.11 5.85 -1.72 -2.12 115.31 120.87 3ias h LEU 74 Ca 0.01 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3ias h LEU 74 Cb 0.11 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 3ias h LEU 74 CO -0.00 0.81 0.37 0.50 -0.34 0.00 0.00 178.44 179.77 3ias h LYS 75 N 1.33 0.69 0.00 1.25 3.64 -0.95 -0.23 116.57 122.29 3ias h LYS 75 Ca 0.37 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.63 3ias h LYS 75 Cb -0.13 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 3ias h LYS 75 CO -0.09 0.45 -0.37 -1.49 -2.27 0.00 0.00 179.45 175.68 3ias h TRP 76 N 0.71 0.00 0.00 1.91 6.55 -1.04 -2.83 115.95 121.25 3ias h TRP 76 Ca 0.26 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.10 3ias h TRP 76 Cb 0.07 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.37 3ias h TRP 76 CO -0.06 0.37 0.00 -1.13 -1.05 0.00 0.00 178.44 176.57 3ias n SER 77 N -3.61 0.21 0.04 -3.49 3.41 -0.10 -1.82 113.62 108.26 3ias n SER 77 Ca -0.01 0.58 0.02 0.00 -0.26 0.00 0.00 58.87 59.21 3ias n SER 77 Cb 0.49 -0.62 -0.07 0.00 -0.26 0.00 0.00 64.21 63.75 3ias n SER 77 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ias n PHE 78 N -1.77 0.90 -1.62 7.33 3.72 -1.07 -4.92 117.46 120.04 3ias n PHE 78 Ca 0.01 0.29 -0.43 0.00 -0.05 0.00 0.00 57.45 57.26 3ias n PHE 78 Cb 0.07 -1.03 -0.01 0.00 -0.94 0.00 0.00 39.48 37.57 3ias n PHE 78 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3ias n MET 79 N -2.81 1.53 -1.66 -1.08 2.81 -0.75 -4.87 117.12 110.28 3ias n MET 79 Ca -0.08 0.54 -0.41 0.00 -1.81 0.00 0.00 57.70 55.93 3ias n MET 79 Cb 0.78 -1.99 0.01 0.00 -0.71 0.00 0.00 33.22 31.31 3ias n MET 79 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 3ias n PRO 80 N 0.57 1.67 0.00 0.03 -0.02 -1.26 -4.99 135.00 131.00 3ias n PRO 80 Ca 0.08 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3ias n PRO 80 Cb 0.34 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3ias n PRO 80 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3ias n LYS 81 N 0.10 0.00 -3.81 -0.52 4.76 -1.26 -4.80 118.16 112.64 3ias n LYS 81 Ca 0.08 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.22 3ias n LYS 81 Cb 0.39 -0.23 -0.15 0.00 -1.84 0.00 0.00 35.03 33.20 3ias n LYS 81 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ias s ASP 82 N -1.85 4.00 0.00 4.39 1.01 -1.26 -4.93 116.67 118.02 3ias s ASP 82 Ca 0.00 -1.57 0.00 0.00 0.71 0.00 0.00 52.55 51.69 3ias s ASP 82 Cb 0.00 -1.00 0.00 0.00 1.01 0.00 0.00 42.92 42.93 3ias s ASP 82 CO 0.00 -0.37 0.00 -0.90 0.21 0.00 0.00 175.17 174.11 3ias n ASP 83 N 4.75 1.68 0.00 0.27 5.75 -1.26 -5.03 116.55 122.72 3ias n ASP 83 Ca -0.03 -0.15 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 3ias n ASP 83 Cb 0.43 0.64 0.00 0.00 -1.03 0.00 0.00 41.12 41.16 3ias n ASP 83 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ias n GLY 84 N 1.14 1.38 3.80 6.12 0.00 -1.26 -5.03 105.19 111.33 3ias n GLY 84 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3ias n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ias s LYS 85 N -0.31 3.61 0.18 1.61 1.02 -1.26 -5.00 119.74 119.60 3ias s LYS 85 Ca 0.00 1.35 -0.31 0.00 0.02 0.00 0.00 55.97 57.03 3ias s LYS 85 Cb 0.00 -2.07 -0.10 0.00 -0.52 0.00 0.00 37.83 35.14 3ias s LYS 85 CO 0.00 -0.59 1.54 -1.14 -0.92 0.00 0.00 175.35 174.24 3ias s GLN 86 N -3.47 4.23 0.02 1.68 2.00 -1.26 -4.99 119.66 117.86 3ias s GLN 86 Ca 0.67 2.35 0.04 0.00 -2.00 0.00 0.00 55.36 56.41 3ias s GLN 86 Cb -0.17 -3.14 -0.04 0.00 0.80 0.00 0.00 33.01 30.46 3ias s GLN 86 CO 0.25 -0.56 -0.05 -1.01 -0.50 0.00 0.00 175.29 173.42 3ias s HIS 87 N 0.87 2.92 0.04 1.67 3.76 -1.26 -4.08 115.29 119.20 3ias s HIS 87 Ca 0.67 -0.03 0.09 0.00 -0.15 0.00 0.00 55.06 55.64 3ias s HIS 87 Cb -0.43 -1.59 -0.03 0.00 1.11 0.00 0.00 32.58 31.64 3ias s HIS 87 CO 0.34 0.41 -0.26 0.71 -0.85 0.00 0.00 174.74 175.09 3ias s TYR 88 N -1.07 2.28 0.01 1.40 1.51 -1.09 -3.34 117.35 117.06 3ias s TYR 88 Ca 0.19 -0.41 0.06 0.00 -1.01 0.00 0.00 57.07 55.90 3ias s TYR 88 Cb -0.11 -1.37 -0.03 0.00 -0.11 0.00 0.00 41.96 40.33 3ias s TYR 88 CO 0.10 0.11 -0.16 -1.17 -1.11 0.00 0.00 175.55 173.32 3ias s LEU 89 N -1.20 2.70 -0.03 -1.29 2.96 -1.01 -1.99 118.68 118.83 3ias s LEU 89 Ca 0.11 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 3ias s LEU 89 Cb -0.10 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 45.03 3ias s LEU 89 CO 0.02 0.28 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.63 3ias s ILE 90 N -0.89 0.69 -0.33 6.68 1.01 -0.73 -1.51 121.20 126.13 3ias s ILE 90 Ca 0.14 -0.28 -0.13 0.00 0.00 0.00 0.00 60.65 60.39 3ias s ILE 90 Cb -0.11 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 3ias s ILE 90 CO 0.04 0.23 0.24 0.00 0.00 0.00 0.00 174.94 175.45 3ias n ASN 92 N 5.11 3.99 -1.67 0.00 5.15 -0.44 -1.69 115.26 125.71 3ias n ASN 92 Ca -0.13 -2.87 -0.13 0.00 -0.60 0.00 0.00 54.58 50.85 3ias n ASN 92 Cb 0.50 -1.64 0.09 0.00 -0.53 0.00 0.00 39.78 38.20 3ias n ASN 92 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ias n ALA 93 N 5.88 4.24 -1.65 5.20 0.00 -0.13 -4.11 120.51 129.94 3ias n ALA 93 Ca 0.51 -1.55 -0.31 0.00 0.00 0.00 0.00 53.44 52.09 3ias n ALA 93 Cb 0.39 -1.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 3ias n ALA 93 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3ias n ASP 94 N -0.31 6.87 -4.59 0.00 2.03 -0.77 -2.21 116.55 117.57 3ias n ASP 94 Ca 0.32 -3.27 -0.42 0.00 0.52 0.00 0.00 54.79 51.93 3ias n ASP 94 Cb 1.07 -1.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.20 3ias n ASP 94 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3ias s GLU 95 N -1.92 3.29 0.00 -0.67 2.12 -1.26 -4.69 118.70 115.57 3ias s GLU 95 Ca 0.57 1.26 0.00 0.00 0.36 0.00 0.00 54.97 57.16 3ias s GLU 95 Cb 0.35 -4.19 0.00 0.00 0.26 0.00 0.00 34.13 30.55 3ias s GLU 95 CO -0.22 -1.91 0.60 0.43 -0.54 0.00 0.00 175.26 173.62 3ias n SER 96 N 10.34 0.00 -4.57 -1.70 7.64 -1.26 -4.92 113.62 119.15 3ias n SER 96 Ca 0.22 -1.35 -0.41 0.00 1.01 0.00 0.00 58.87 58.34 3ias n SER 96 Cb 0.48 -0.07 -0.08 0.00 -1.01 0.00 0.00 64.21 63.52 3ias n SER 96 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3ias s GLU 97 N 0.00 3.74 0.11 1.43 2.12 -1.26 -4.88 118.70 119.95 3ias s GLU 97 Ca 0.00 -0.09 -0.35 0.00 0.36 0.00 0.00 54.97 54.88 3ias s GLU 97 Cb 0.00 -3.76 -0.17 0.00 0.26 0.00 0.00 34.13 30.46 3ias s GLU 97 CO 0.00 -0.53 1.14 -2.30 -0.54 0.00 0.00 175.26 173.03 3ias n PRO 98 N 5.61 0.77 -0.34 4.30 -0.02 -1.26 -1.55 135.00 142.51 3ias n PRO 98 Ca -0.06 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3ias n PRO 98 Cb 0.49 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 3ias n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ias n GLY 99 N 2.04 1.18 3.27 -1.23 0.00 -1.26 -3.19 105.19 106.00 3ias n GLY 99 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3ias n GLY 99 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ias s SER 100 N -3.06 4.06 0.00 1.61 0.15 -0.60 -4.50 113.70 111.36 3ias s SER 100 Ca 0.00 -0.44 0.08 0.00 0.70 0.00 0.00 55.95 56.29 3ias s SER 100 Cb 0.00 -1.68 0.13 0.00 -1.71 0.00 0.00 66.02 62.76 3ias s SER 100 CO 0.00 -0.01 0.97 2.22 1.20 0.00 0.00 173.24 177.62 3ias n PHE 101 N 4.72 0.00 -0.02 3.44 -1.74 -1.26 -4.64 117.46 117.95 3ias n PHE 101 Ca -0.19 -0.21 -0.12 0.00 -0.56 0.00 0.00 57.45 56.37 3ias n PHE 101 Cb 0.51 0.04 -0.07 0.00 1.52 0.00 0.00 39.48 41.48 3ias n PHE 101 CO 0.00 0.00 0.00 1.57 -0.56 0.00 0.00 176.76 177.77 3ias h LYS 102 N 0.30 0.16 0.00 3.97 2.10 -1.92 -3.23 116.57 117.94 3ias h LYS 102 Ca -0.14 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.46 3ias h LYS 102 Cb 1.48 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.79 3ias h LYS 102 CO -0.01 0.38 -0.04 -0.44 -2.00 0.00 0.00 179.45 177.35 3ias h ASP 103 N -0.09 0.00 0.23 7.07 3.32 -1.98 -3.20 116.42 121.78 3ias h ASP 103 Ca 0.03 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.09 3ias h ASP 103 Cb 0.30 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 3ias h ASP 103 CO 0.00 0.04 -0.30 -0.09 -1.72 0.00 0.00 179.24 177.17 3ias h ARG 104 N 0.00 -0.56 0.00 3.56 2.43 -1.95 -2.80 114.38 115.06 3ias h ARG 104 Ca -0.00 0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 3ias h ARG 104 Cb 0.09 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 3ias h ARG 104 CO 0.00 -0.37 -0.52 1.88 -1.51 0.00 0.00 179.97 179.45 3ias h TYR 105 N -0.58 0.00 -0.27 2.20 0.05 -1.74 0.01 116.97 116.64 3ias h TYR 105 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 3ias h TYR 105 Cb 0.56 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.28 3ias h TYR 105 CO -0.21 0.52 -0.00 0.82 -1.05 0.00 0.00 178.16 178.23 3ias h ILE 106 N 0.00 1.17 0.01 -2.88 2.04 -1.63 -0.33 117.51 115.89 3ias h ILE 106 Ca -0.01 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 3ias h ILE 106 Cb 1.01 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 3ias h ILE 106 CO 0.07 0.22 -0.01 -0.07 0.00 0.00 0.00 178.15 178.36 3ias h LEU 107 N 0.39 -0.02 -1.71 1.44 3.38 -1.13 -2.75 115.31 114.91 3ias h LEU 107 Ca 0.09 -0.78 0.02 0.00 0.09 0.00 0.00 57.88 57.30 3ias h LEU 107 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3ias h LEU 107 CO 0.01 0.81 0.23 -0.33 0.09 0.00 0.00 178.44 179.25 3ias h GLU 108 N -0.89 0.37 0.00 1.13 5.08 -0.86 -3.31 114.58 116.10 3ias h GLU 108 Ca -0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3ias h GLU 108 Cb 0.79 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 3ias h GLU 108 CO 0.00 0.25 -1.03 -0.25 -1.00 0.00 0.00 179.01 176.98 3ias n ASP 109 N -4.49 4.88 -2.60 1.42 8.00 -0.15 -4.83 116.55 118.79 3ias n ASP 109 Ca 0.03 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.39 3ias n ASP 109 Cb 0.13 0.55 0.02 0.00 -0.02 0.00 0.00 41.12 41.80 3ias n ASP 109 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3ias n VAL 110 N -1.99 1.49 -0.35 2.53 0.24 -1.05 -2.77 118.33 116.43 3ias n VAL 110 Ca -0.01 -3.60 0.10 0.00 -2.04 0.00 0.00 64.34 58.79 3ias n VAL 110 Cb 0.48 0.13 0.28 0.00 -1.47 0.00 0.00 33.84 33.27 3ias n VAL 110 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3ias h PRO 111 N 2.79 0.85 -0.12 7.34 0.11 -1.62 0.12 132.00 141.47 3ias h PRO 111 Ca 0.03 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.12 3ias h PRO 111 Cb 1.15 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3ias h PRO 111 CO 0.57 0.56 0.09 0.45 -0.21 0.00 0.00 178.00 179.46 3ias h HIS 112 N 0.88 0.03 -0.46 0.65 3.86 -1.89 0.51 115.15 118.73 3ias h HIS 112 Ca 0.53 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.76 3ias h HIS 112 Cb 0.69 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.12 3ias h HIS 112 CO -0.00 0.02 0.29 1.25 0.86 0.00 0.00 177.93 180.35 3ias h LEU 113 N 0.03 0.49 0.20 2.43 5.85 -1.11 0.16 115.31 123.37 3ias h LEU 113 Ca 0.06 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3ias h LEU 113 Cb 0.18 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3ias h LEU 113 CO -0.00 0.35 -0.10 0.25 -0.34 0.00 0.00 178.44 178.60 3ias h LEU 114 N 0.59 -0.23 -0.48 2.25 6.46 -0.12 -1.62 115.31 122.17 3ias h LEU 114 Ca 0.18 -0.05 0.08 0.00 -0.12 0.00 0.00 57.88 57.97 3ias h LEU 114 Cb -0.03 0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 39.89 3ias h LEU 114 CO -0.06 -0.10 0.06 0.40 -0.62 0.00 0.00 178.44 178.13 3ias h ILE 115 N -0.35 0.70 -0.57 4.05 2.04 -0.46 0.11 117.51 123.03 3ias h ILE 115 Ca -0.03 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.78 3ias h ILE 115 Cb 0.27 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3ias h ILE 115 CO 0.05 0.03 0.38 -0.08 0.00 0.00 0.00 178.15 178.53 3ias h GLU 116 N 0.19 0.71 -0.17 2.37 4.81 -0.80 -0.29 114.58 121.40 3ias h GLU 116 Ca 0.24 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3ias h GLU 116 Cb 0.33 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3ias h GLU 116 CO -0.34 0.47 0.00 0.78 -0.73 0.00 0.00 179.01 179.20 3ias h GLY 117 N 0.73 0.33 1.91 1.92 0.00 0.14 -2.19 103.07 105.91 3ias h GLY 117 Ca 0.22 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 3ias h GLY 117 CO -0.05 0.22 -0.28 -0.33 0.00 0.00 0.00 176.54 176.10 3ias h MET 118 N 0.06 0.11 0.42 4.80 2.86 -0.36 0.80 114.93 123.61 3ias h MET 118 Ca 0.05 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3ias h MET 118 Cb 0.38 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.03 3ias h MET 118 CO 0.01 0.39 -0.20 0.82 1.06 0.00 0.00 176.91 178.98 3ias h ILE 119 N 0.10 0.59 0.17 -1.22 2.04 -0.85 1.42 117.51 119.75 3ias h ILE 119 Ca 0.01 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.80 3ias h ILE 119 Cb 0.55 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 3ias h ILE 119 CO 0.04 0.02 -0.43 -0.07 0.00 0.00 0.00 178.15 177.70 3ias h LEU 120 N -0.61 -1.26 -1.69 1.44 3.38 -1.11 0.98 115.31 116.43 3ias h LEU 120 Ca -0.06 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3ias h LEU 120 Cb 0.46 0.47 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 3ias h LEU 120 CO 0.09 -0.51 0.23 0.00 0.09 0.00 0.00 178.44 178.34 3ias h ALA 121 N -0.28 1.81 0.30 1.53 0.00 -0.71 0.18 119.26 122.09 3ias h ALA 121 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3ias h ALA 121 Cb 0.70 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3ias h ALA 121 CO -0.22 0.17 -0.14 0.78 0.00 0.00 0.00 179.25 179.83 3ias h GLY 122 N 0.42 -0.42 0.38 0.00 0.00 0.26 -2.52 103.07 101.20 3ias h GLY 122 Ca 0.13 0.16 0.12 0.00 0.00 0.00 0.00 47.33 47.73 3ias h GLY 122 CO -0.03 -0.15 0.44 -1.82 0.00 0.00 0.00 176.54 174.98 3ias h TYR 123 N -0.72 0.79 -0.82 5.60 3.20 -0.36 0.11 116.97 124.78 3ias h TYR 123 Ca -0.04 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.97 3ias h TYR 123 Cb 0.49 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.47 3ias h TYR 123 CO 0.02 0.26 0.53 0.00 -1.64 0.00 0.00 178.16 177.33 3ias h ALA 124 N 1.50 1.77 -0.26 1.82 0.00 -0.43 -2.71 119.26 120.96 3ias h ALA 124 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3ias h ALA 124 Cb 0.49 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3ias h ALA 124 CO -0.30 0.05 0.00 0.44 0.00 0.00 0.00 179.25 179.44 3ias n ILE 125 N -4.51 0.80 -3.12 0.00 -5.35 -0.79 -4.59 119.36 101.79 3ias n ILE 125 Ca 0.14 -0.90 -0.14 0.00 -0.27 0.00 0.00 62.75 61.58 3ias n ILE 125 Cb 0.35 0.64 0.07 0.00 -1.74 0.00 0.00 39.64 38.96 3ias n ILE 125 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3ias n ARG 126 N 0.45 -5.16 -3.64 6.28 3.00 -0.28 -4.91 116.66 112.39 3ias n ARG 126 Ca 0.10 0.63 -0.40 0.00 -0.01 0.00 0.00 57.85 58.17 3ias n ARG 126 Cb 0.38 -5.00 -0.11 0.00 0.00 0.00 0.00 32.46 27.72 3ias n ARG 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3ias s ALA 127 N -3.26 3.22 -0.90 7.54 0.00 0.24 -4.05 121.76 124.54 3ias s ALA 127 Ca 0.10 -1.83 0.27 0.00 0.00 0.00 0.00 51.96 50.50 3ias s ALA 127 Cb -0.05 -2.52 1.05 0.00 0.00 0.00 0.00 23.12 21.60 3ias s ALA 127 CO 0.54 -1.44 1.83 0.25 0.00 0.00 0.00 175.76 176.95 3ias n THR 128 N 4.93 0.30 -3.75 0.00 -2.24 -1.21 -4.55 114.28 107.76 3ias n THR 128 Ca -0.12 -0.05 -0.12 0.00 -2.27 0.00 0.00 64.05 61.49 3ias n THR 128 Cb 0.45 -0.60 -0.12 0.00 -2.10 0.00 0.00 70.33 67.95 3ias n THR 128 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ias s VAL 129 N -3.04 -0.02 0.18 2.28 1.01 -1.25 -2.88 120.40 116.67 3ias s VAL 129 Ca 0.12 0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.29 3ias s VAL 129 Cb 0.16 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 3ias s VAL 129 CO 0.52 0.03 -0.22 -0.83 0.00 0.00 0.00 175.10 174.60 3ias s GLY 130 N 0.81 1.57 0.10 4.51 0.00 -0.46 -2.39 107.32 111.45 3ias s GLY 130 Ca -0.06 -1.56 0.09 0.00 0.00 0.00 0.00 44.72 43.20 3ias s GLY 130 CO -0.05 -1.59 -0.23 -0.19 0.00 0.00 0.00 173.10 171.03 3ias s TYR 131 N -1.73 2.02 -0.21 1.90 1.51 -0.57 -2.00 117.35 118.27 3ias s TYR 131 Ca 0.18 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 3ias s TYR 131 Cb -0.07 -1.13 0.03 0.00 -0.11 0.00 0.00 41.96 40.67 3ias s TYR 131 CO 0.08 0.22 -0.14 0.42 -1.11 0.00 0.00 175.55 175.02 3ias s ILE 132 N -1.03 2.34 -0.46 2.71 1.01 -0.39 -1.04 121.20 124.34 3ias s ILE 132 Ca 0.10 -1.04 -0.18 0.00 0.00 0.00 0.00 60.65 59.52 3ias s ILE 132 Cb -0.10 -2.11 0.04 0.00 0.01 0.00 0.00 42.46 40.30 3ias s ILE 132 CO 0.04 0.36 0.52 -0.47 0.00 0.00 0.00 174.94 175.40 3ias s TYR 133 N 1.28 3.12 -0.09 3.97 6.14 -0.68 -1.36 117.35 129.73 3ias s TYR 133 Ca 0.02 -0.43 0.00 0.00 0.64 0.00 0.00 57.07 57.30 3ias s TYR 133 Cb -0.15 -3.19 -0.03 0.00 0.42 0.00 0.00 41.96 39.01 3ias s TYR 133 CO -0.09 -0.84 -0.08 0.14 0.64 0.00 0.00 175.55 175.31 3ias s VAL 134 N 2.35 3.54 0.38 3.14 -7.23 -0.89 -0.95 120.40 120.72 3ias s VAL 134 Ca 0.14 -0.53 -0.28 0.00 -1.81 0.00 0.00 61.98 59.50 3ias s VAL 134 Cb -0.18 -2.46 -0.11 0.00 0.56 0.00 0.00 36.38 34.19 3ias s VAL 134 CO 0.13 0.57 1.46 -2.11 -0.31 0.00 0.00 175.10 174.84 3ias n ARG 135 N 2.64 2.58 0.00 4.82 1.85 -0.94 -0.89 116.66 126.72 3ias n ARG 135 Ca -0.18 0.90 0.00 0.00 -1.00 0.00 0.00 57.85 57.58 3ias n ARG 135 Cb 0.53 -2.62 0.00 0.00 -1.05 0.00 0.00 32.46 29.32 3ias n ARG 135 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3ias n GLY 136 N 0.50 0.64 0.00 2.89 0.00 -1.22 -1.25 105.19 106.75 3ias n GLY 136 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 3ias n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ias n GLU 137 N 0.03 0.90 -2.48 1.61 4.71 -1.26 -4.74 120.64 119.42 3ias n GLU 137 Ca 0.00 -0.09 -0.43 0.00 -0.01 0.00 0.00 57.16 56.63 3ias n GLU 137 Cb 0.13 -1.25 0.00 0.00 -1.01 0.00 0.00 31.44 29.31 3ias n GLU 137 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3ias n TYR 138 N -1.80 4.27 0.41 -0.32 4.02 -0.38 -4.78 117.16 118.57 3ias n TYR 138 Ca -0.01 -3.00 -0.16 0.00 -0.01 0.00 0.00 57.90 54.71 3ias n TYR 138 Cb 0.30 -2.40 -0.08 0.00 -0.02 0.00 0.00 39.34 37.14 3ias n TYR 138 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3ias h ARG 139 N 6.87 -1.02 -0.05 -0.72 9.65 -1.85 -1.96 114.38 125.30 3ias h ARG 139 Ca 0.43 0.07 0.04 0.00 -1.10 0.00 0.00 59.98 59.42 3ias h ARG 139 Cb 0.79 0.23 -0.06 0.00 -1.39 0.00 0.00 29.97 29.54 3ias h ARG 139 CO 1.51 -0.68 -0.39 -0.09 2.80 0.00 0.00 179.97 183.12 3ias h ARG 140 N -1.21 -0.50 -0.84 0.20 2.43 -1.99 0.27 114.38 112.75 3ias h ARG 140 Ca -0.11 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.28 3ias h ARG 140 Cb 0.81 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.41 3ias h ARG 140 CO 0.18 -0.33 0.56 0.00 -1.51 0.00 0.00 179.97 178.87 3ias h ALA 141 N 0.11 2.20 0.05 2.80 0.00 -1.89 0.27 119.26 122.80 3ias h ALA 141 Ca 0.06 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ias h ALA 141 Cb 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ias h ALA 141 CO -0.34 -0.45 -0.02 0.00 0.00 0.00 0.00 179.25 178.44 3ias h ALA 142 N 1.62 -0.06 -0.51 0.00 0.00 -0.24 -1.17 119.26 118.90 3ias h ALA 142 Ca 0.43 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3ias h ALA 142 Cb 1.06 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3ias h ALA 142 CO -0.15 -0.30 0.26 -0.44 0.00 0.00 0.00 179.25 178.62 3ias h ASP 143 N -0.54 0.36 -0.41 0.00 3.32 0.68 -2.16 116.42 117.68 3ias h ASP 143 Ca -0.01 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3ias h ASP 143 Cb 0.48 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 3ias h ASP 143 CO 0.01 0.25 0.12 0.03 -1.72 0.00 0.00 179.24 177.93 3ias h ARG 144 N 0.50 0.65 0.32 3.56 2.47 -0.54 -2.23 114.38 119.11 3ias h ARG 144 Ca 0.22 -0.15 -0.02 0.00 -1.26 0.00 0.00 59.98 58.78 3ias h ARG 144 Cb 0.13 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 3ias h ARG 144 CO -0.16 0.65 -0.16 -0.07 0.56 0.00 0.00 179.97 180.80 3ias h LEU 145 N 0.52 -0.37 -0.18 3.04 3.38 -1.01 -1.27 115.31 119.42 3ias h LEU 145 Ca 0.13 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.17 3ias h LEU 145 Cb 0.28 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 3ias h LEU 145 CO -0.00 -0.26 -0.38 -0.08 0.09 0.00 0.00 178.44 177.80 3ias h GLU 146 N -0.43 -0.41 -0.23 1.13 4.57 -1.36 -0.42 114.58 117.43 3ias h GLU 146 Ca -0.04 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 3ias h GLU 146 Cb 0.33 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.97 3ias h GLU 146 CO 0.07 -0.27 -0.34 1.96 -1.18 0.00 0.00 179.01 179.25 3ias h GLN 147 N -0.42 -0.25 -0.98 1.92 1.08 -1.21 -1.33 115.11 113.92 3ias h GLN 147 Ca 0.10 0.02 0.20 0.00 -1.45 0.00 0.00 58.65 57.52 3ias h GLN 147 Cb 0.59 0.06 -0.09 0.00 -0.05 0.00 0.00 27.48 27.98 3ias h GLN 147 CO -0.42 -0.16 0.62 0.00 -0.95 0.00 0.00 178.83 177.92 3ias h ALA 148 N -0.57 1.89 -0.02 3.87 0.00 -0.95 0.61 119.26 124.08 3ias h ALA 148 Ca 0.04 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3ias h ALA 148 Cb 0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3ias h ALA 148 CO -0.35 -0.24 -0.48 0.82 0.00 0.00 0.00 179.25 179.01 3ias h ILE 149 N 0.63 1.34 0.04 0.00 2.04 -0.24 -1.23 117.51 120.10 3ias h ILE 149 Ca 0.55 -1.65 -0.00 0.00 1.00 0.00 0.00 64.86 64.75 3ias h ILE 149 Cb 1.04 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 3ias h ILE 149 CO -0.31 0.48 -0.02 0.11 0.00 0.00 0.00 178.15 178.40 3ias h LYS 150 N 0.05 -0.06 -0.43 2.37 1.57 0.13 -1.05 116.57 119.14 3ias h LYS 150 Ca -0.00 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 3ias h LYS 150 Cb 0.86 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.09 3ias h LYS 150 CO 0.06 0.53 -0.22 0.93 -0.57 0.00 0.00 179.45 180.19 3ias h GLU 151 N -0.71 -0.13 -0.08 3.15 5.08 -1.03 0.82 114.58 121.69 3ias h GLU 151 Ca -0.01 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3ias h GLU 151 Cb 0.62 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3ias h GLU 151 CO 0.01 -0.09 -0.32 0.00 -1.00 0.00 0.00 179.01 177.61 3ias h ALA 152 N 1.13 1.31 -0.37 3.43 0.00 -1.29 -1.76 119.26 121.73 3ias h ALA 152 Ca 0.21 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3ias h ALA 152 Cb 0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3ias h ALA 152 CO -0.52 0.48 -0.23 -0.09 0.00 0.00 0.00 179.25 178.89 3ias h ARG 153 N 0.13 0.73 0.00 0.00 2.43 0.23 -0.58 114.38 117.33 3ias h ARG 153 Ca 0.02 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3ias h ARG 153 Cb 0.64 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3ias h ARG 153 CO 0.05 0.90 0.00 0.00 -1.51 0.00 0.00 179.97 179.41 3ias n ALA 154 N -2.50 0.00 0.00 2.80 0.00 0.14 -3.35 120.51 117.59 3ias n ALA 154 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ias n ALA 154 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3ias n ALA 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ias n ARG 155 N -0.46 0.00 -0.74 0.00 5.12 -0.96 -4.69 116.66 114.93 3ias n ARG 155 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3ias n ARG 155 Cb 0.00 -1.15 0.00 0.00 -1.16 0.00 0.00 32.46 30.15 3ias n ARG 155 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ias n GLY 156 N -0.53 0.55 0.05 -0.13 0.00 -1.16 -4.93 105.19 99.05 3ias n GLY 156 Ca 0.00 -0.70 0.14 0.00 0.00 0.00 0.00 46.02 45.46 3ias n GLY 156 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ias n TYR 157 N -2.74 0.00 -4.00 1.61 4.01 -0.27 -4.42 117.16 111.35 3ias n TYR 157 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 3ias n TYR 157 Cb 0.00 -0.28 -0.14 0.00 -0.31 0.00 0.00 39.34 38.60 3ias n TYR 157 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ias s LEU 158 N -2.68 1.88 0.00 7.72 1.43 -0.91 -4.94 118.68 121.18 3ias s LEU 158 Ca 0.23 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 3ias s LEU 158 Cb 0.19 -0.14 0.00 0.00 0.03 0.00 0.00 46.19 46.27 3ias s LEU 158 CO 0.52 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.72 3ias n GLY 159 N 3.18 0.26 0.00 -3.19 0.00 0.53 -4.65 105.19 101.33 3ias n GLY 159 Ca -0.15 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.07 3ias n GLY 159 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ias n LYS 160 N 0.00 0.00 -2.77 1.61 2.85 -1.26 -3.40 118.16 115.19 3ias n LYS 160 Ca 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.23 3ias n LYS 160 Cb 0.00 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.40 3ias n LYS 160 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 3ias s ASN 161 N 0.00 -1.01 0.22 -5.58 3.84 -1.26 -4.56 114.94 106.59 3ias s ASN 161 Ca 0.00 -1.10 -0.31 0.00 0.21 0.00 0.00 52.86 51.66 3ias s ASN 161 Cb 0.00 1.31 -0.14 0.00 -0.55 0.00 0.00 41.25 41.87 3ias s ASN 161 CO 0.00 -0.05 1.25 0.18 -2.79 0.00 0.00 177.10 175.70 3ias n LEU 162 N 2.99 2.33 -2.66 3.21 4.77 -0.46 -2.91 117.00 124.26 3ias n LEU 162 Ca 0.15 1.15 -0.13 0.00 -0.03 0.00 0.00 56.01 57.14 3ias n LEU 162 Cb 0.59 -1.33 -0.00 0.00 -2.33 0.00 0.00 43.42 40.35 3ias n LEU 162 CO -0.05 -0.93 -0.11 0.49 -1.33 0.00 0.00 177.39 175.46 3ias n PHE 163 N 1.45 -1.59 0.00 -1.77 3.01 -1.26 -0.53 117.46 116.78 3ias n PHE 163 Ca 0.12 0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.69 3ias n PHE 163 Cb 0.29 -2.54 0.00 0.00 -0.01 0.00 0.00 39.48 37.22 3ias n PHE 163 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ias n GLY 164 N -0.84 1.68 3.76 1.37 0.00 -1.15 -4.95 105.19 105.07 3ias n GLY 164 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 3ias n GLY 164 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ias s THR 165 N -0.62 3.42 0.00 2.61 -1.32 0.31 -4.91 115.64 115.14 3ias s THR 165 Ca 0.00 1.40 0.00 0.00 -1.21 0.00 0.00 61.69 61.88 3ias s THR 165 Cb 0.00 -3.87 0.00 0.00 -1.51 0.00 0.00 72.50 67.12 3ias s THR 165 CO 0.00 0.31 1.04 -0.90 -2.21 0.00 0.00 174.62 172.86 3ias n ASP 166 N 1.02 2.83 -4.35 8.08 5.75 -1.26 -3.72 116.55 124.90 3ias n ASP 166 Ca -0.00 -1.68 -0.32 0.00 -0.01 0.00 0.00 54.79 52.78 3ias n ASP 166 Cb 0.45 -0.58 -0.15 0.00 -1.03 0.00 0.00 41.12 39.81 3ias n ASP 166 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3ias s PHE 167 N 0.72 2.66 0.12 2.11 5.36 -1.26 -5.03 117.98 122.65 3ias s PHE 167 Ca 0.00 -0.61 0.08 0.00 -0.96 0.00 0.00 56.93 55.45 3ias s PHE 167 Cb 0.00 -1.71 -0.04 0.00 -0.34 0.00 0.00 43.02 40.93 3ias s PHE 167 CO 0.00 -0.15 -0.14 -1.12 -1.46 0.00 0.00 175.22 172.36 3ias s SER 168 N -0.03 4.15 -0.30 6.13 0.01 -1.26 -1.36 113.70 121.04 3ias s SER 168 Ca -0.05 -0.49 -0.09 0.00 1.31 0.00 0.00 55.95 56.64 3ias s SER 168 Cb -0.14 -0.69 0.16 0.00 0.21 0.00 0.00 66.02 65.55 3ias s SER 168 CO 0.04 0.17 0.75 0.12 0.41 0.00 0.00 173.24 174.73 3ias s PHE 169 N -1.24 -1.20 0.25 2.43 5.36 -1.22 -4.47 117.98 117.90 3ias s PHE 169 Ca 0.20 1.71 0.11 0.00 -0.96 0.00 0.00 56.93 57.99 3ias s PHE 169 Cb -0.11 0.58 -0.05 0.00 -0.34 0.00 0.00 43.02 43.11 3ias s PHE 169 CO 0.12 -0.62 -0.15 0.34 -1.46 0.00 0.00 175.22 173.45 3ias s ASP 170 N 2.80 3.86 0.06 6.13 -1.08 -1.14 -0.35 116.67 126.96 3ias s ASP 170 Ca 0.03 -0.86 0.08 0.00 -0.52 0.00 0.00 52.55 51.29 3ias s ASP 170 Cb -0.11 -0.47 -0.03 0.00 -1.46 0.00 0.00 42.92 40.85 3ias s ASP 170 CO -0.18 0.05 -0.23 -0.76 0.52 0.00 0.00 175.17 174.57 3ias s LEU 171 N -3.31 2.20 0.03 -1.34 1.02 -1.26 -1.35 118.68 114.67 3ias s LEU 171 Ca 0.28 -0.59 0.04 0.00 0.02 0.00 0.00 54.13 53.88 3ias s LEU 171 Cb -0.06 -1.08 -0.02 0.00 0.02 0.00 0.00 46.19 45.05 3ias s LEU 171 CO 0.15 0.18 -0.13 -1.00 0.02 0.00 0.00 176.35 175.57 3ias s HIS 172 N -0.88 1.14 -0.22 0.29 3.76 -0.85 -5.00 115.29 113.53 3ias s HIS 172 Ca 0.09 -0.33 -0.06 0.00 -0.15 0.00 0.00 55.06 54.61 3ias s HIS 172 Cb -0.09 -0.68 -0.03 0.00 1.11 0.00 0.00 32.58 32.88 3ias s HIS 172 CO 0.03 0.02 0.04 0.08 -0.85 0.00 0.00 174.74 174.05 3ias s VAL 173 N -0.78 4.17 -0.27 -0.90 1.01 -1.26 -1.26 120.40 121.11 3ias s VAL 173 Ca 0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 3ias s VAL 173 Cb -0.07 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.40 3ias s VAL 173 CO 0.01 0.39 0.01 -2.28 0.00 0.00 0.00 175.10 173.23 3ias s HIS 174 N 1.25 3.10 0.11 5.22 5.04 -0.46 -4.96 115.29 124.59 3ias s HIS 174 Ca 0.04 -1.22 -0.26 0.00 -1.54 0.00 0.00 55.06 52.08 3ias s HIS 174 Cb -0.15 -2.16 -0.07 0.00 0.04 0.00 0.00 32.58 30.25 3ias s HIS 174 CO 0.02 -0.64 0.80 1.03 -2.34 0.00 0.00 174.74 173.62 3ias s ARG 175 N 1.42 4.57 0.00 2.88 0.52 -1.26 -2.10 118.95 124.98 3ias s ARG 175 Ca 0.02 1.17 0.00 0.00 -0.52 0.00 0.00 55.73 56.40 3ias s ARG 175 Cb -0.17 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 31.98 3ias s ARG 175 CO -0.01 0.40 0.00 0.41 0.02 0.00 0.00 175.30 176.12 3ias n GLY 176 N 2.01 -0.13 1.38 -3.53 0.00 -0.07 -4.85 105.19 100.00 3ias n GLY 176 Ca -0.03 -1.73 -0.01 0.00 0.00 0.00 0.00 46.02 44.25 3ias n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias n ALA 177 N -3.00 2.97 -1.30 4.61 0.00 -1.26 -3.40 120.51 119.13 3ias n ALA 177 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 53.44 51.81 3ias n ALA 177 Cb 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 18.87 3ias n ALA 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ias n GLY 178 N 0.18 -1.81 3.15 0.00 0.00 -1.26 -4.93 105.19 100.52 3ias n GLY 178 Ca -0.09 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 45.71 3ias n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias s ALA 179 N -0.29 -3.38 0.32 4.61 0.00 -1.26 -5.04 121.76 116.72 3ias s ALA 179 Ca 0.00 1.33 0.07 0.00 0.00 0.00 0.00 51.96 53.37 3ias s ALA 179 Cb 0.00 -2.65 0.90 0.00 0.00 0.00 0.00 23.12 21.37 3ias s ALA 179 CO 0.00 -1.85 1.61 -0.92 0.00 0.00 0.00 175.76 174.60 3ias h TYR 180 N 7.65 0.37 -0.23 0.00 3.20 -1.90 0.13 116.97 126.19 3ias h TYR 180 Ca -0.09 0.05 0.07 0.00 3.14 0.00 0.00 58.73 61.90 3ias h TYR 180 Cb 1.18 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 3ias h TYR 180 CO 0.02 -0.34 0.23 0.97 -1.64 0.00 0.00 178.16 177.40 3ias h ILE 181 N 0.10 0.52 0.00 1.81 6.09 -1.95 -1.52 117.51 122.57 3ias h ILE 181 Ca 0.65 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.14 3ias h ILE 181 Cb 1.45 0.82 0.00 0.00 0.47 0.00 0.00 36.82 39.57 3ias h ILE 181 CO -0.77 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 174.32 3ias n GLY 183 N -1.34 -1.45 3.68 0.00 0.00 -0.57 -3.18 105.19 102.33 3ias n GLY 183 Ca 0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 3ias n GLY 183 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ias s GLU 184 N -3.15 4.24 0.21 1.61 -6.30 -0.25 -4.88 118.70 110.19 3ias s GLU 184 Ca 0.07 2.02 -0.18 0.00 -2.50 0.00 0.00 54.97 54.38 3ias s GLU 184 Cb 0.13 -3.70 0.20 0.00 0.00 0.00 0.00 34.13 30.76 3ias s GLU 184 CO 0.70 -0.68 1.57 1.05 0.02 0.00 0.00 175.26 177.93 3ias h GLU 185 N 8.36 -0.07 0.00 4.30 4.11 -1.88 0.25 114.58 129.64 3ias h GLU 185 Ca -0.37 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.02 3ias h GLU 185 Cb 1.17 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3ias h GLU 185 CO 0.93 -0.05 -0.21 0.00 0.07 0.00 0.00 179.01 179.75 3ias h THR 186 N -0.08 1.04 -0.03 -1.06 1.03 -1.94 -2.45 112.91 109.43 3ias h THR 186 Ca 0.30 -0.76 -0.03 0.00 -0.01 0.00 0.00 66.41 65.92 3ias h THR 186 Cb 0.58 1.42 0.00 0.00 -1.07 0.00 0.00 68.15 69.08 3ias h THR 186 CO -0.83 0.21 -0.10 0.00 -0.01 0.00 0.00 175.52 174.79 3ias h ALA 187 N 1.79 0.05 -0.88 0.00 0.00 -0.85 -3.28 119.26 116.08 3ias h ALA 187 Ca -0.00 -0.36 0.17 0.00 0.00 0.00 0.00 54.91 54.72 3ias h ALA 187 Cb 0.40 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.02 3ias h ALA 187 CO 0.03 -0.06 -0.25 1.25 0.00 0.00 0.00 179.25 180.21 3ias h LEU 188 N -0.47 -0.93 -0.65 0.00 6.46 -0.41 1.00 115.31 120.30 3ias h LEU 188 Ca -0.00 0.27 0.08 0.00 -0.12 0.00 0.00 57.88 58.11 3ias h LEU 188 Cb 0.74 0.58 -0.07 0.00 -0.73 0.00 0.00 40.66 41.18 3ias h LEU 188 CO 0.02 -0.29 0.31 0.24 -0.62 0.00 0.00 178.44 178.09 3ias h MET 189 N -0.01 0.52 -0.47 1.25 2.86 -1.55 -0.58 114.93 116.96 3ias h MET 189 Ca 0.40 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.91 3ias h MET 189 Cb 0.64 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 3ias h MET 189 CO -0.91 0.35 -0.12 -0.91 1.06 0.00 0.00 176.91 176.37 3ias h ASN 190 N 0.54 0.86 0.23 1.22 4.21 -0.91 0.22 115.58 121.94 3ias h ASN 190 Ca 0.32 -0.27 -0.01 0.00 1.21 0.00 0.00 56.30 57.54 3ias h ASN 190 Cb 0.33 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 3ias h ASN 190 CO -0.26 0.99 -0.11 -1.28 -1.29 0.00 0.00 177.43 175.48 3ias h SER 191 N 0.77 -0.26 -0.62 5.81 0.87 -0.31 -0.68 113.55 119.13 3ias h SER 191 Ca 0.12 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 3ias h SER 191 Cb 0.64 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.64 3ias h SER 191 CO 0.04 -0.00 0.32 0.25 -0.53 0.00 0.00 176.83 176.91 3ias h LEU 192 N -0.53 0.80 -0.71 2.23 6.46 -1.14 -2.70 115.31 119.71 3ias h LEU 192 Ca -0.03 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 3ias h LEU 192 Cb 0.39 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 3ias h LEU 192 CO 0.05 0.69 0.00 1.21 -0.62 0.00 0.00 178.44 179.77 3ias n GLU 193 N -4.53 0.08 0.00 1.25 2.13 0.76 -4.81 120.64 115.52 3ias n GLU 193 Ca 0.04 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.39 3ias n GLU 193 Cb 0.11 -1.74 0.00 0.00 0.27 0.00 0.00 31.44 30.08 3ias n GLU 193 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ias n GLY 194 N -1.11 1.20 3.89 8.31 0.00 -1.00 -5.04 105.19 111.44 3ias n GLY 194 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3ias n GLY 194 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ias s LEU 195 N 0.00 2.83 0.39 0.99 1.43 -0.29 -5.04 118.68 118.99 3ias s LEU 195 Ca 0.00 -1.16 -0.26 0.00 -1.03 0.00 0.00 54.13 51.68 3ias s LEU 195 Cb 0.00 -1.33 -0.09 0.00 0.03 0.00 0.00 46.19 44.80 3ias s LEU 195 CO 0.00 -1.01 1.27 -0.13 0.23 0.00 0.00 176.35 176.72 3ias s ARG 196 N -4.24 4.06 0.00 1.70 0.52 -1.26 -4.24 118.95 115.49 3ias s ARG 196 Ca 0.37 2.10 -0.03 0.00 -0.52 0.00 0.00 55.73 57.64 3ias s ARG 196 Cb -0.02 -2.80 -0.15 0.00 0.52 0.00 0.00 34.95 32.49 3ias s ARG 196 CO 0.22 -0.39 2.47 0.00 0.02 0.00 0.00 175.30 177.62 3ias n ALA 197 N 0.25 4.52 -2.15 2.13 0.00 -1.26 -4.62 120.51 119.39 3ias n ALA 197 Ca 0.03 -1.05 -0.39 0.00 0.00 0.00 0.00 53.44 52.03 3ias n ALA 197 Cb 0.44 -2.11 -0.06 0.00 0.00 0.00 0.00 19.45 17.72 3ias n ALA 197 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3ias s ASN 198 N 2.24 7.21 0.71 0.00 0.02 -1.26 -4.77 114.94 119.09 3ias s ASN 198 Ca 0.38 1.43 -0.13 0.00 -1.02 0.00 0.00 52.86 53.52 3ias s ASN 198 Cb 0.18 -2.42 0.03 0.00 0.02 0.00 0.00 41.25 39.06 3ias s ASN 198 CO 0.00 0.25 1.12 -2.16 0.02 0.00 0.00 177.10 176.32 3ias s PRO 199 N -1.14 2.47 0.42 -0.60 0.04 -1.26 -4.41 135.00 130.52 3ias s PRO 199 Ca 0.32 1.37 0.08 0.00 0.04 0.00 0.00 61.00 62.80 3ias s PRO 199 Cb -0.21 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3ias s PRO 199 CO 0.22 -1.50 0.53 1.03 0.04 0.00 0.00 177.00 177.32 3ias s ARG 200 N -4.36 2.79 -0.19 4.56 0.52 -1.26 -4.91 118.95 116.10 3ias s ARG 200 Ca 0.66 -1.28 -0.29 0.00 -0.52 0.00 0.00 55.73 54.29 3ias s ARG 200 Cb -0.20 -2.70 -0.03 0.00 0.52 0.00 0.00 34.95 32.54 3ias s ARG 200 CO 0.47 -0.25 1.59 -1.17 0.02 0.00 0.00 175.30 175.97 3ias s LEU 201 N -4.31 3.98 0.00 2.53 2.96 -1.26 -4.90 118.68 117.68 3ias s LEU 201 Ca 0.54 1.71 0.27 0.00 -0.22 0.00 0.00 54.13 56.43 3ias s LEU 201 Cb -0.09 -3.53 0.94 0.00 0.50 0.00 0.00 46.19 44.01 3ias s LEU 201 CO 0.32 -1.17 1.72 0.29 -1.32 0.00 0.00 176.35 176.19 3ias n LYS 202 N 7.50 0.02 -0.34 1.98 5.02 -1.26 -3.62 118.16 127.46 3ias n LYS 202 Ca 0.18 -0.01 0.24 0.00 -2.02 0.00 0.00 58.31 56.70 3ias n LYS 202 Cb 0.45 -1.50 0.47 0.00 -0.02 0.00 0.00 35.03 34.43 3ias n LYS 202 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3ias h PRO 203 N 0.01 0.33 -4.10 1.97 0.11 -2.04 -3.18 132.00 125.11 3ias h PRO 203 Ca 0.00 -0.02 -0.76 0.00 0.11 0.00 0.00 66.00 65.33 3ias h PRO 203 Cb 0.50 -0.08 -0.24 0.00 0.11 0.00 0.00 31.00 31.29 3ias h PRO 203 CO 0.00 0.22 0.02 -1.25 -0.21 0.00 0.00 178.00 176.78 3ias s PRO 204 N -5.66 3.30 0.77 1.05 0.04 -1.24 -5.08 135.00 128.18 3ias s PRO 204 Ca -0.10 -2.00 -0.13 0.00 0.04 0.00 0.00 61.00 58.81 3ias s PRO 204 Cb 0.30 -4.39 0.06 0.00 0.04 0.00 0.00 34.50 30.51 3ias s PRO 204 CO 0.79 -1.36 1.15 -0.06 0.04 0.00 0.00 177.00 177.56 3ias s PHE 205 N 1.15 2.17 0.28 0.56 0.08 -1.20 -4.75 117.98 116.27 3ias s PHE 205 Ca 0.12 1.63 0.00 0.00 0.12 0.00 0.00 56.93 58.80 3ias s PHE 205 Cb -0.19 -3.30 0.42 0.00 -0.57 0.00 0.00 43.02 39.38 3ias s PHE 205 CO -0.03 -2.31 1.80 -1.00 -0.10 0.00 0.00 175.22 173.58 3ias h PRO 206 N -0.76 0.69 -0.51 0.24 0.13 -1.87 0.66 132.00 130.58 3ias h PRO 206 Ca -0.46 -0.18 0.09 0.00 -0.87 0.00 0.00 66.00 64.59 3ias h PRO 206 Cb 1.27 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 3ias h PRO 206 CO 0.49 0.72 0.34 0.00 -0.23 0.00 0.00 178.00 179.32 3ias h ALA 207 N 1.34 2.07 -0.00 -0.56 0.00 -1.92 -2.39 119.26 117.81 3ias h ALA 207 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ias h ALA 207 Cb 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3ias h ALA 207 CO 0.02 -0.18 -0.50 1.04 0.00 0.00 0.00 179.25 179.62 3ias n GLN 208 N -4.46 2.55 -3.02 0.00 3.00 -0.95 -3.92 117.38 110.58 3ias n GLN 208 Ca 0.08 -0.21 -0.00 0.00 -0.01 0.00 0.00 57.00 56.85 3ias n GLN 208 Cb 0.35 -1.12 -0.00 0.00 0.00 0.00 0.00 30.24 29.47 3ias n GLN 208 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3ias s SER 209 N -2.03 -1.32 0.00 1.08 0.15 0.18 -4.22 113.70 107.54 3ias s SER 209 Ca 0.07 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 55.78 3ias s SER 209 Cb 0.10 1.71 0.00 0.00 -1.71 0.00 0.00 66.02 66.11 3ias s SER 209 CO 0.46 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.40 3ias n GLY 210 N 3.88 1.10 3.52 9.45 0.00 -0.44 -4.31 105.19 118.40 3ias n GLY 210 Ca 0.12 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.68 3ias n GLY 210 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ias n LEU 211 N 0.00 2.65 -2.60 0.99 7.94 -1.22 -1.12 117.00 123.64 3ias n LEU 211 Ca 0.00 0.26 -0.18 0.00 -1.11 0.00 0.00 56.01 54.97 3ias n LEU 211 Cb 0.00 -1.42 -0.00 0.00 0.53 0.00 0.00 43.42 42.53 3ias n LEU 211 CO 0.00 -0.76 -0.17 0.79 -1.11 0.00 0.00 177.39 176.15 3ias n TRP 212 N 11.08 -1.38 -0.01 1.96 8.01 -1.26 -2.39 117.44 133.46 3ias n TRP 212 Ca 0.36 0.13 0.00 0.00 -1.31 0.00 0.00 57.50 56.68 3ias n TRP 212 Cb 0.35 -3.58 0.00 0.00 -2.01 0.00 0.00 31.31 26.07 3ias n TRP 212 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ias n GLY 213 N -1.05 1.03 3.86 6.99 0.00 -0.28 -5.03 105.19 110.71 3ias n GLY 213 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 3ias n GLY 213 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ias s LYS 214 N -0.65 3.87 -0.40 1.61 -0.14 -1.00 -4.31 119.74 118.71 3ias s LYS 214 Ca 0.00 0.34 -0.31 0.00 -1.36 0.00 0.00 55.97 54.64 3ias s LYS 214 Cb 0.00 -2.91 -0.10 0.00 -1.68 0.00 0.00 37.83 33.14 3ias s LYS 214 CO 0.00 0.48 2.29 -2.30 -0.76 0.00 0.00 175.35 175.06 3ias n PRO 215 N 0.68 1.19 -4.45 -1.68 -0.02 -1.26 -1.33 135.00 128.14 3ias n PRO 215 Ca -0.05 0.26 -0.23 0.00 -2.02 0.00 0.00 63.50 61.46 3ias n PRO 215 Cb 0.52 -2.77 -0.10 0.00 -0.02 0.00 0.00 33.50 31.13 3ias n PRO 215 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3ias s THR 216 N 8.72 2.21 0.05 3.45 -4.23 -1.02 -2.65 115.64 122.17 3ias s THR 216 Ca 1.07 -2.32 0.04 0.00 -1.18 0.00 0.00 61.69 59.31 3ias s THR 216 Cb -0.63 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 70.90 3ias s THR 216 CO 0.41 -0.42 -0.13 0.28 -0.54 0.00 0.00 174.62 174.22 3ias s THR 217 N -2.67 1.00 -0.10 3.99 -1.32 -0.84 -3.24 115.64 112.46 3ias s THR 217 Ca 0.28 -1.14 0.00 0.00 -1.21 0.00 0.00 61.69 59.63 3ias s THR 217 Cb -0.02 -0.96 0.02 0.00 -1.51 0.00 0.00 72.50 70.03 3ias s THR 217 CO 0.13 -0.16 -0.09 -0.63 -2.21 0.00 0.00 174.62 171.66 3ias s ILE 218 N -1.12 1.04 0.09 5.08 1.01 -1.26 -1.77 121.20 124.27 3ias s ILE 218 Ca -0.02 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.34 3ias s ILE 218 Cb -0.09 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 3ias s ILE 218 CO 0.02 0.36 -0.11 0.20 0.00 0.00 0.00 174.94 175.40 3ias s ASN 219 N 1.36 1.56 0.44 3.58 -0.87 -0.93 -4.99 114.94 115.09 3ias s ASN 219 Ca -0.02 -0.76 -0.18 0.00 -1.57 0.00 0.00 52.86 50.34 3ias s ASN 219 Cb -0.14 -0.02 -0.09 0.00 -0.02 0.00 0.00 41.25 40.99 3ias s ASN 219 CO -0.04 -0.20 0.92 0.21 -2.57 0.00 0.00 177.10 175.42 3ias s ASN 220 N -2.26 6.77 0.14 -1.22 3.84 -1.26 -1.33 114.94 119.62 3ias s ASN 220 Ca 0.04 1.55 -0.27 0.00 0.21 0.00 0.00 52.86 54.39 3ias s ASN 220 Cb -0.05 -2.49 -0.05 0.00 -0.55 0.00 0.00 41.25 38.11 3ias s ASN 220 CO 0.01 -0.43 1.36 0.52 -2.79 0.00 0.00 177.10 175.78 3ias n VAL 221 N -1.00 -0.60 -0.23 -5.21 0.31 -1.26 -0.17 118.33 110.18 3ias n VAL 221 Ca 0.06 2.14 0.01 0.00 -0.01 0.00 0.00 64.34 66.54 3ias n VAL 221 Cb 0.54 -2.65 0.25 0.00 -0.91 0.00 0.00 33.84 31.07 3ias n VAL 221 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3ias h GLU 222 N 0.00 0.97 0.17 5.55 4.81 -1.93 -1.00 114.58 123.15 3ias h GLU 222 Ca 0.15 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3ias h GLU 222 Cb 0.37 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3ias h GLU 222 CO -0.83 0.64 -0.08 1.15 -0.73 0.00 0.00 179.01 179.16 3ias h THR 223 N 1.00 0.89 -0.11 0.32 2.02 -0.88 -1.12 112.91 115.03 3ias h THR 223 Ca 0.29 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 67.18 3ias h THR 223 Cb -0.05 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3ias h THR 223 CO -0.07 0.05 -0.25 -0.07 0.37 0.00 0.00 175.52 175.55 3ias h LEU 224 N -0.33 0.19 -0.60 2.58 3.38 -0.81 -2.31 115.31 117.41 3ias h LEU 224 Ca -0.02 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 3ias h LEU 224 Cb 0.26 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3ias h LEU 224 CO 0.04 0.45 -0.68 0.00 0.09 0.00 0.00 178.44 178.33 3ias h ALA 225 N 1.57 0.82 0.00 1.53 0.00 -1.08 -2.73 119.26 119.38 3ias h ALA 225 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3ias h ALA 225 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3ias h ALA 225 CO 0.04 0.81 0.00 0.77 0.00 0.00 0.00 179.25 180.87 3ias h SER 226 N 0.08 0.00 0.67 0.00 0.02 -0.64 -2.77 113.55 110.92 3ias h SER 226 Ca -0.01 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 3ias h SER 226 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 3ias h SER 226 CO 0.10 0.00 -0.24 0.58 -1.14 0.00 0.00 176.83 176.13 3ias h VAL 227 N 0.00 0.69 0.18 2.27 2.07 -1.23 -2.95 116.25 117.28 3ias h VAL 227 Ca 0.00 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 3ias h VAL 227 Cb 0.42 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3ias h VAL 227 CO 0.00 0.23 -0.09 0.58 0.02 0.00 0.00 177.57 178.31 3ias h VAL 228 N 0.00 0.93 0.00 2.57 2.07 -1.63 -2.44 116.25 117.75 3ias h VAL 228 Ca -0.00 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 3ias h VAL 228 Cb 0.64 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3ias h VAL 228 CO 0.03 0.17 -0.23 1.55 0.02 0.00 0.00 177.57 179.11 3ias h PRO 229 N -0.64 0.00 -0.55 1.57 0.13 -1.73 -2.17 132.00 128.61 3ias h PRO 229 Ca -0.03 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.99 3ias h PRO 229 Cb 0.47 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 3ias h PRO 229 CO 0.04 0.23 -0.09 0.82 -0.23 0.00 0.00 178.00 178.77 3ias h ILE 230 N 0.00 1.27 0.00 -3.56 2.04 -1.48 -1.94 117.51 113.84 3ias h ILE 230 Ca -0.00 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.61 3ias h ILE 230 Cb 0.55 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3ias h ILE 230 CO 0.03 0.44 -0.03 0.24 0.00 0.00 0.00 178.15 178.83 3ias h MET 231 N 0.92 0.00 0.00 2.37 2.86 -1.26 -3.30 114.93 116.52 3ias h MET 231 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3ias h MET 231 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 3ias h MET 231 CO 0.05 0.03 0.00 -1.91 1.06 0.00 0.00 176.91 176.14 3ias n GLU 232 N -3.11 0.00 -3.10 1.72 2.13 -0.83 -4.75 120.64 112.69 3ias n GLU 232 Ca 0.03 0.07 -0.41 0.00 0.66 0.00 0.00 57.16 57.50 3ias n GLU 232 Cb 0.46 -0.53 -0.06 0.00 0.27 0.00 0.00 31.44 31.57 3ias n GLU 232 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 3ias s ARG 233 N -0.16 3.88 0.18 5.31 1.70 -0.76 -5.00 118.95 124.11 3ias s ARG 233 Ca 0.00 0.29 -0.04 0.00 -0.47 0.00 0.00 55.73 55.51 3ias s ARG 233 Cb 0.00 -3.73 -0.04 0.00 -0.57 0.00 0.00 34.95 30.61 3ias s ARG 233 CO 0.00 -0.59 -0.11 0.41 -1.08 0.00 0.00 175.30 173.93 3ias n GLY 234 N 4.43 -0.95 0.44 3.88 0.00 -1.26 -4.43 105.19 107.31 3ias n GLY 234 Ca -0.01 -0.12 0.24 0.00 0.00 0.00 0.00 46.02 46.14 3ias n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias h ALA 235 N -0.12 2.46 -0.02 4.61 0.00 -1.83 0.34 119.26 124.71 3ias h ALA 235 Ca -0.10 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 3ias h ALA 235 Cb 0.33 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3ias h ALA 235 CO 0.08 -1.00 -0.48 -0.44 0.00 0.00 0.00 179.25 177.40 3ias h ASP 236 N 0.00 0.04 -0.35 0.00 3.32 -1.92 -0.58 116.42 116.93 3ias h ASP 236 Ca 0.32 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 3ias h ASP 236 Cb 1.63 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 41.16 3ias h ASP 236 CO -0.00 0.52 -0.14 -0.25 -1.72 0.00 0.00 179.24 177.64 3ias h TRP 237 N 0.03 0.82 -0.13 4.55 7.01 -0.53 -2.18 115.95 125.52 3ias h TRP 237 Ca -0.00 -0.20 0.02 0.00 2.11 0.00 0.00 58.89 60.82 3ias h TRP 237 Cb 0.87 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.72 3ias h TRP 237 CO 0.00 0.90 0.03 0.35 -2.79 0.00 0.00 178.44 176.93 3ias h PHE 238 N 0.50 0.05 0.00 2.65 3.57 -1.36 -3.08 116.94 119.26 3ias h PHE 238 Ca 0.08 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3ias h PHE 238 Cb 0.67 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 3ias h PHE 238 CO 0.06 0.02 -0.07 0.00 -2.23 0.00 0.00 178.31 176.08 3ias h ALA 239 N 1.09 1.06 0.00 2.41 0.00 -1.01 -2.62 119.26 120.18 3ias h ALA 239 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ias h ALA 239 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ias h ALA 239 CO -0.07 0.09 0.00 0.94 0.00 0.00 0.00 179.25 180.20 3ias n GLN 240 N -3.25 0.65 -3.97 0.00 7.27 -0.83 -4.62 117.38 112.62 3ias n GLN 240 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.86 3ias n GLN 240 Cb 0.29 -1.16 -0.17 0.00 2.41 0.00 0.00 30.24 31.61 3ias n GLN 240 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 3ias s MET 241 N -1.51 0.69 0.00 3.69 1.75 -0.99 -2.28 119.30 120.65 3ias s MET 241 Ca 0.00 -0.00 0.00 0.00 -1.25 0.00 0.00 55.69 54.44 3ias s MET 241 Cb 0.00 -0.86 0.00 0.00 2.84 0.00 0.00 34.83 36.81 3ias s MET 241 CO 0.00 -0.18 0.00 0.41 -0.65 0.00 0.00 175.02 174.60 3ias n GLY 242 N 4.52 -0.64 0.04 2.11 0.00 -0.33 -1.18 105.19 109.71 3ias n GLY 242 Ca -0.18 -2.18 -0.00 0.00 0.00 0.00 0.00 46.02 43.66 3ias n GLY 242 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ias n THR 243 N 0.00 0.00 0.25 2.61 -1.04 -0.99 -4.75 114.28 110.36 3ias n THR 243 Ca 0.00 -0.01 0.14 0.00 -2.04 0.00 0.00 64.05 62.13 3ias n THR 243 Cb 0.00 -1.40 0.53 0.00 -1.82 0.00 0.00 70.33 67.64 3ias n THR 243 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3ias h GLU 244 N 0.00 0.00 0.00 -2.82 4.81 -1.99 -3.27 114.58 111.31 3ias h GLU 244 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3ias h GLU 244 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3ias h GLU 244 CO 0.00 0.10 0.00 1.04 -0.73 0.00 0.00 179.01 179.42 3ias n GLN 245 N -3.21 0.61 -3.74 1.92 6.02 -1.26 -4.89 117.38 112.82 3ias n GLN 245 Ca 0.01 -0.20 -0.29 0.00 -0.01 0.00 0.00 57.00 56.51 3ias n GLN 245 Cb 0.39 -0.64 -0.10 0.00 1.02 0.00 0.00 30.24 30.91 3ias n GLN 245 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3ias n SER 246 N -0.14 3.39 -4.82 1.08 7.64 -1.23 -4.89 113.62 114.65 3ias n SER 246 Ca 0.00 -3.27 -0.36 0.00 1.01 0.00 0.00 58.87 56.25 3ias n SER 246 Cb 0.08 -0.77 -0.06 0.00 -1.01 0.00 0.00 64.21 62.45 3ias n SER 246 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3ias s LYS 247 N -1.76 4.22 0.00 1.43 -0.14 -1.26 -2.34 119.74 119.90 3ias s LYS 247 Ca 0.29 0.82 0.00 0.00 -1.36 0.00 0.00 55.97 55.72 3ias s LYS 247 Cb 0.01 -2.89 0.00 0.00 -1.68 0.00 0.00 37.83 33.27 3ias s LYS 247 CO -0.12 0.41 0.00 0.41 -0.76 0.00 0.00 175.35 175.29 3ias n GLY 248 N 0.75 -0.69 3.74 -3.33 0.00 -0.32 -4.65 105.19 100.68 3ias n GLY 248 Ca -0.03 -2.22 -0.36 0.00 0.00 0.00 0.00 46.02 43.42 3ias n GLY 248 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3ias s MET 249 N -0.21 3.18 0.06 1.61 0.23 -1.26 -1.44 119.30 121.47 3ias s MET 249 Ca 0.00 -0.32 0.07 0.00 -1.03 0.00 0.00 55.69 54.41 3ias s MET 249 Cb 0.00 -2.94 -0.03 0.00 -1.53 0.00 0.00 34.83 30.33 3ias s MET 249 CO 0.00 0.70 -0.16 0.21 -2.03 0.00 0.00 175.02 173.74 3ias s LYS 250 N -0.84 2.07 -0.49 3.16 2.47 0.16 -4.80 119.74 121.46 3ias s LYS 250 Ca 0.13 -0.99 -0.21 0.00 -1.56 0.00 0.00 55.97 53.34 3ias s LYS 250 Cb -0.12 -2.22 0.04 0.00 -1.46 0.00 0.00 37.83 34.08 3ias s LYS 250 CO 0.03 0.53 0.72 -0.51 0.16 0.00 0.00 175.35 176.28 3ias s LEU 251 N -1.63 4.57 0.13 5.43 1.02 -1.26 -1.05 118.68 125.88 3ias s LEU 251 Ca 0.16 -0.56 -0.07 0.00 0.02 0.00 0.00 54.13 53.68 3ias s LEU 251 Cb -0.11 -2.65 -0.06 0.00 0.02 0.00 0.00 46.19 43.39 3ias s LEU 251 CO 0.07 -0.94 0.40 -0.31 0.02 0.00 0.00 176.35 175.59 3ias s TYR 252 N 3.05 3.51 -0.01 0.29 2.02 -0.95 -4.76 117.35 120.50 3ias s TYR 252 Ca 0.22 0.68 0.01 0.00 -0.37 0.00 0.00 57.07 57.61 3ias s TYR 252 Cb -0.16 -2.09 0.01 0.00 -0.40 0.00 0.00 41.96 39.32 3ias s TYR 252 CO 0.16 0.45 -0.03 1.14 -1.57 0.00 0.00 175.55 175.70 3ias s GLN 253 N -2.39 0.32 0.01 -0.62 0.00 -0.90 -0.04 119.66 116.05 3ias s GLN 253 Ca 0.39 -0.08 0.07 0.00 -0.00 0.00 0.00 55.36 55.73 3ias s GLN 253 Cb -0.13 -0.36 -0.02 0.00 0.00 0.00 0.00 33.01 32.51 3ias s GLN 253 CO 0.22 0.02 -0.21 -1.50 0.00 0.00 0.00 175.29 173.82 3ias s ILE 254 N 0.22 1.66 0.20 3.63 2.07 -0.90 0.62 121.20 128.70 3ias s ILE 254 Ca -0.02 -1.04 -0.05 0.00 -1.41 0.00 0.00 60.65 58.13 3ias s ILE 254 Cb -0.05 -1.41 -0.03 0.00 0.13 0.00 0.00 42.46 41.11 3ias s ILE 254 CO -0.00 0.34 0.23 -0.94 -1.91 0.00 0.00 174.94 172.65 3ias s SER 255 N -0.83 0.09 0.00 4.50 1.04 -0.55 -1.30 113.70 116.64 3ias s SER 255 Ca 0.08 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.31 3ias s SER 255 Cb -0.08 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3ias s SER 255 CO 0.00 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.92 3ias n GLY 256 N -0.28 -1.50 3.28 7.32 0.00 -1.26 -2.12 105.19 110.64 3ias n GLY 256 Ca -0.01 -2.08 -0.38 0.00 0.00 0.00 0.00 46.02 43.55 3ias n GLY 256 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ias n PRO 257 N 0.00 1.52 -4.22 1.61 -0.02 -1.26 -4.86 135.00 127.77 3ias n PRO 257 Ca 0.00 -2.06 -0.14 0.00 -2.02 0.00 0.00 63.50 59.29 3ias n PRO 257 Cb 0.00 -3.20 -0.10 0.00 -0.02 0.00 0.00 33.50 30.18 3ias n PRO 257 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3ias s VAL 258 N 7.18 1.02 0.09 -1.45 0.11 -1.26 -2.08 120.40 124.01 3ias s VAL 258 Ca 0.62 -1.93 -0.29 0.00 -2.93 0.00 0.00 61.98 57.45 3ias s VAL 258 Cb 0.09 -1.69 -0.15 0.00 -1.53 0.00 0.00 36.38 33.10 3ias s VAL 258 CO 0.13 -0.72 1.65 0.50 -3.33 0.00 0.00 175.10 173.33 3ias h LYS 259 N 3.02 -0.57 -3.06 1.54 3.64 -1.18 -3.38 116.57 116.59 3ias h LYS 259 Ca -0.36 0.04 -0.59 0.00 -1.27 0.00 0.00 60.65 58.46 3ias h LYS 259 Cb 1.18 0.13 -0.40 0.00 -0.41 0.00 0.00 32.23 32.74 3ias h LYS 259 CO 0.61 -0.38 -0.77 -0.98 -2.27 0.00 0.00 179.45 175.67 3ias s ARG 260 N -6.08 0.93 1.14 1.90 1.70 0.14 -5.02 118.95 113.66 3ias s ARG 260 Ca -0.16 -1.55 -0.18 0.00 -0.47 0.00 0.00 55.73 53.37 3ias s ARG 260 Cb 0.05 -1.98 0.26 0.00 -0.57 0.00 0.00 34.95 32.71 3ias s ARG 260 CO 0.64 -1.12 1.16 -1.25 -1.08 0.00 0.00 175.30 173.65 3ias s PRO 261 N 0.92 -0.71 0.00 3.89 0.04 -1.26 -4.30 135.00 133.58 3ias s PRO 261 Ca 0.15 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.05 3ias s PRO 261 Cb -0.22 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.66 3ias s PRO 261 CO -0.08 -3.36 0.00 0.41 0.04 0.00 0.00 177.00 174.01 3ias n GLY 262 N -1.67 0.45 3.82 0.56 0.00 -0.42 -4.98 105.19 102.95 3ias n GLY 262 Ca 0.13 -2.22 -0.36 0.00 0.00 0.00 0.00 46.02 43.58 3ias n GLY 262 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ias s VAL 263 N -0.53 4.64 -0.18 1.61 1.01 -1.26 -2.13 120.40 123.56 3ias s VAL 263 Ca 0.00 1.16 -0.04 0.00 0.00 0.00 0.00 61.98 63.10 3ias s VAL 263 Cb 0.00 -3.81 0.08 0.00 0.00 0.00 0.00 36.38 32.64 3ias s VAL 263 CO 0.00 0.18 0.15 -0.31 0.00 0.00 0.00 175.10 175.12 3ias s TYR 264 N -1.56 -0.04 0.18 5.22 1.51 0.94 -4.98 117.35 118.62 3ias s TYR 264 Ca 0.43 -0.04 -0.31 0.00 -1.01 0.00 0.00 57.07 56.14 3ias s TYR 264 Cb -0.16 -0.52 -0.10 0.00 -0.11 0.00 0.00 41.96 41.07 3ias s TYR 264 CO 0.20 -0.55 1.57 -2.00 -1.11 0.00 0.00 175.55 173.67 3ias s GLU 265 N 2.23 4.21 0.06 -0.62 2.12 -1.26 -2.23 118.70 123.21 3ias s GLU 265 Ca 0.04 2.38 -0.16 0.00 0.36 0.00 0.00 54.97 57.59 3ias s GLU 265 Cb -0.16 -3.14 0.03 0.00 0.26 0.00 0.00 34.13 31.12 3ias s GLU 265 CO -0.10 -0.60 0.38 -0.51 -0.54 0.00 0.00 175.26 173.88 3ias s LEU 266 N 0.99 0.54 0.05 2.70 1.43 -0.22 -4.94 118.68 119.22 3ias s LEU 266 Ca 0.69 -0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 53.36 3ias s LEU 266 Cb -0.44 1.65 -0.05 0.00 0.03 0.00 0.00 46.19 47.38 3ias s LEU 266 CO 0.33 -0.69 1.10 -2.16 0.23 0.00 0.00 176.35 175.15 3ias s PRO 267 N -2.81 4.50 -0.11 1.29 0.04 -1.26 0.35 135.00 137.00 3ias s PRO 267 Ca -0.03 1.62 -0.40 0.00 0.04 0.00 0.00 61.00 62.23 3ias s PRO 267 Cb -0.00 -3.39 -0.17 0.00 0.04 0.00 0.00 34.50 30.98 3ias s PRO 267 CO -0.05 -0.13 1.44 -0.12 0.04 0.00 0.00 177.00 178.18 3ias n MET 268 N 3.75 0.77 0.00 4.56 1.56 -0.52 -1.62 117.12 125.62 3ias n MET 268 Ca 0.07 0.28 0.00 0.00 -0.27 0.00 0.00 57.70 57.78 3ias n MET 268 Cb 0.48 -1.89 0.00 0.00 2.15 0.00 0.00 33.22 33.96 3ias n MET 268 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3ias n GLY 269 N 3.00 2.20 3.67 -5.12 0.00 -0.90 -3.62 105.19 104.43 3ias n GLY 269 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 3ias n GLY 269 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ias n THR 270 N -0.47 3.40 -2.43 2.61 -2.24 -0.64 -3.72 114.28 110.79 3ias n THR 270 Ca 0.00 -0.38 -0.33 0.00 -2.27 0.00 0.00 64.05 61.07 3ias n THR 270 Cb 0.00 -1.26 -0.03 0.00 -2.10 0.00 0.00 70.33 66.94 3ias n THR 270 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ias s THR 271 N -1.73 4.20 0.28 4.28 -4.23 -1.26 -2.18 115.64 114.99 3ias s THR 271 Ca 0.77 1.17 -0.02 0.00 -1.18 0.00 0.00 61.69 62.43 3ias s THR 271 Cb -0.35 -3.57 0.27 0.00 1.34 0.00 0.00 72.50 70.20 3ias s THR 271 CO 0.47 -0.49 1.92 -0.26 -0.54 0.00 0.00 174.62 175.72 3ias h PHE 272 N 1.14 1.15 -0.42 3.99 -1.00 -1.37 -2.21 116.94 118.22 3ias h PHE 272 Ca -0.48 0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.37 3ias h PHE 272 Cb 1.20 -0.38 -0.04 0.00 3.61 0.00 0.00 35.95 40.33 3ias h PHE 272 CO 0.61 0.66 0.18 -0.09 -1.61 0.00 0.00 178.31 178.05 3ias h ARG 273 N 1.18 0.36 -0.24 1.51 2.43 -0.75 0.27 114.38 119.13 3ias h ARG 273 Ca 0.38 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.57 3ias h ARG 273 Cb 0.03 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 3ias h ARG 273 CO -0.12 0.24 0.04 1.49 -1.51 0.00 0.00 179.97 180.10 3ias h GLU 274 N 0.37 0.12 0.21 0.20 4.81 -1.68 0.24 114.58 118.85 3ias h GLU 274 Ca 0.19 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3ias h GLU 274 Cb 0.14 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3ias h GLU 274 CO -0.16 0.08 -0.10 1.25 -0.73 0.00 0.00 179.01 179.35 3ias h LEU 275 N 0.12 -0.24 -1.91 1.64 6.46 -1.01 0.95 115.31 121.32 3ias h LEU 275 Ca 0.11 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.66 3ias h LEU 275 Cb 0.12 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.11 3ias h LEU 275 CO -0.16 0.07 -0.07 0.40 -0.62 0.00 0.00 178.44 178.07 3ias h ILE 276 N -0.57 0.99 0.00 4.05 2.04 -0.27 -2.18 117.51 121.56 3ias h ILE 276 Ca -0.03 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 3ias h ILE 276 Cb 0.42 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3ias h ILE 276 CO 0.05 0.07 -0.53 -1.22 0.00 0.00 0.00 178.15 176.51 3ias n TYR 277 N -4.37 0.00 0.32 1.37 4.01 0.81 -0.68 117.16 118.63 3ias n TYR 277 Ca -0.03 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.54 3ias n TYR 277 Cb 0.15 -0.23 -0.09 0.00 -0.31 0.00 0.00 39.34 38.86 3ias n TYR 277 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3ias h GLU 278 N -0.43 -0.91 0.00 -0.72 4.39 -0.92 -0.06 114.58 115.93 3ias h GLU 278 Ca -0.03 0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 3ias h GLU 278 Cb 0.50 0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 3ias h GLU 278 CO -0.02 -0.60 -0.16 -1.49 -1.16 0.00 0.00 179.01 175.58 3ias h TRP 279 N -0.94 0.00 0.00 4.33 4.06 -1.61 -3.36 115.95 118.43 3ias h TRP 279 Ca -0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.89 3ias h TRP 279 Cb 0.79 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.95 3ias h TRP 279 CO -0.15 0.79 0.00 0.00 -3.56 0.00 0.00 178.44 175.52 3ias h ALA 280 N -0.32 1.00 -0.10 1.49 0.00 -1.53 -3.45 119.26 116.36 3ias h ALA 280 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3ias h ALA 280 Cb 0.79 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3ias h ALA 280 CO -0.02 0.00 -0.04 0.41 0.00 0.00 0.00 179.25 179.60 3ias n GLY 281 N 0.48 0.52 0.50 0.00 0.00 -0.04 0.24 105.19 106.89 3ias n GLY 281 Ca 0.03 -0.99 0.03 0.00 0.00 0.00 0.00 46.02 45.09 3ias n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ias n GLY 282 N -2.70 -3.03 3.53 -0.02 0.00 0.15 -4.45 105.19 98.67 3ias n GLY 282 Ca -0.02 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.47 3ias n GLY 282 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ias s PRO 283 N -3.88 -0.48 -0.00 1.61 0.02 -1.26 -1.39 135.00 129.62 3ias s PRO 283 Ca 0.00 1.05 0.07 0.00 0.02 0.00 0.00 61.00 62.14 3ias s PRO 283 Cb 0.00 -1.59 -0.09 0.00 0.02 0.00 0.00 34.50 32.84 3ias s PRO 283 CO 0.00 -3.49 0.25 1.28 -0.33 0.00 0.00 177.00 174.70 3ias n LEU 284 N -4.78 0.22 -4.71 -5.54 4.77 -0.88 -4.64 117.00 101.43 3ias n LEU 284 Ca 0.05 -0.33 -0.32 0.00 -0.03 0.00 0.00 56.01 55.38 3ias n LEU 284 Cb 0.53 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.55 3ias n LEU 284 CO 0.55 0.05 -0.24 -1.61 -1.33 0.00 0.00 177.39 174.82 3ias s GLU 285 N -1.93 2.15 0.21 3.23 0.41 -1.26 -5.09 118.70 116.42 3ias s GLU 285 Ca 0.01 -2.37 -0.28 0.00 -0.41 0.00 0.00 54.97 51.92 3ias s GLU 285 Cb 0.05 -1.32 -0.09 0.00 -1.78 0.00 0.00 34.13 30.99 3ias s GLU 285 CO 0.29 -0.40 0.87 -2.14 -0.49 0.00 0.00 175.26 173.39 3ias s PRO 286 N -3.84 4.74 0.09 0.39 0.02 -1.26 -5.03 135.00 130.10 3ias s PRO 286 Ca 0.08 1.35 0.03 0.00 0.02 0.00 0.00 61.00 62.49 3ias s PRO 286 Cb 0.01 -3.27 -0.04 0.00 0.02 0.00 0.00 34.50 31.22 3ias s PRO 286 CO 0.05 0.54 0.08 0.42 -0.33 0.00 0.00 177.00 177.76 3ias s ILE 287 N -1.15 4.50 -0.01 2.83 1.09 -1.26 -1.83 121.20 125.36 3ias s ILE 287 Ca 0.39 -0.81 0.02 0.00 -1.10 0.00 0.00 60.65 59.15 3ias s ILE 287 Cb -0.25 -3.18 -0.02 0.00 -1.06 0.00 0.00 42.46 37.95 3ias s ILE 287 CO 0.30 0.10 0.01 0.00 -0.10 0.00 0.00 174.94 175.25 3ias n GLN 288 N 0.39 3.01 -3.55 2.79 10.64 0.34 -4.68 117.38 126.31 3ias n GLN 288 Ca -0.09 -0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 54.95 3ias n GLN 288 Cb 0.52 -1.05 -0.05 0.00 -0.86 0.00 0.00 30.24 28.81 3ias n GLN 288 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3ias s ALA 289 N -2.06 -1.33 -0.05 2.61 0.00 -1.17 -0.83 121.76 118.92 3ias s ALA 289 Ca -0.01 0.50 -0.00 0.00 0.00 0.00 0.00 51.96 52.45 3ias s ALA 289 Cb 0.01 0.51 0.03 0.00 0.00 0.00 0.00 23.12 23.67 3ias s ALA 289 CO 0.08 -0.57 -0.01 0.96 0.00 0.00 0.00 175.76 176.21 3ias s ILE 290 N -2.86 0.37 -0.60 0.00 -4.36 0.81 -0.99 121.20 113.58 3ias s ILE 290 Ca -0.03 0.04 -0.24 0.00 -0.26 0.00 0.00 60.65 60.16 3ias s ILE 290 Cb -0.00 -0.47 0.05 0.00 1.25 0.00 0.00 42.46 43.29 3ias s ILE 290 CO -0.05 0.22 0.98 -0.63 0.24 0.00 0.00 174.94 175.69 3ias s ILE 291 N 1.39 4.31 0.04 8.37 1.01 -0.27 -1.93 121.20 134.12 3ias s ILE 291 Ca -0.04 0.08 -0.27 0.00 0.00 0.00 0.00 60.65 60.42 3ias s ILE 291 Cb -0.13 -4.62 -0.15 0.00 0.01 0.00 0.00 42.46 37.57 3ias s ILE 291 CO -0.02 -1.28 1.35 1.55 0.00 0.00 0.00 174.94 176.53 3ias h PRO 292 N 9.45 -0.93 0.00 2.79 0.13 -1.86 -2.22 132.00 139.36 3ias h PRO 292 Ca -0.27 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3ias h PRO 292 Cb 1.07 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3ias h PRO 292 CO 1.13 -0.62 0.00 0.41 -0.23 0.00 0.00 178.00 178.70 3ias n GLY 293 N -1.33 0.97 0.00 1.56 0.00 -1.23 -3.20 105.19 101.96 3ias n GLY 293 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3ias n GLY 293 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ias n GLY 294 N 5.00 0.85 0.08 -0.02 0.00 -1.26 -1.21 105.19 108.64 3ias n GLY 294 Ca 0.00 -1.51 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 3ias n GLY 294 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3ias h SER 295 N 0.00 0.03 0.00 1.61 0.87 -1.82 -3.34 113.55 110.90 3ias h SER 295 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 3ias h SER 295 Cb 0.00 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 3ias h SER 295 CO 0.00 1.04 0.00 -1.20 -0.53 0.00 0.00 176.83 176.14 3ias n SER 296 N -3.12 0.04 -4.67 6.23 7.64 -1.26 -4.69 113.62 113.78 3ias n SER 296 Ca -0.15 -1.17 -0.33 0.00 1.01 0.00 0.00 58.87 58.23 3ias n SER 296 Cb 1.03 -0.02 -0.09 0.00 -1.01 0.00 0.00 64.21 64.12 3ias n SER 296 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3ias s THR 297 N -1.94 4.14 0.20 0.44 -4.23 -1.26 -4.69 115.64 108.30 3ias s THR 297 Ca 0.00 -0.48 -0.31 0.00 -1.18 0.00 0.00 61.69 59.72 3ias s THR 297 Cb 0.00 -2.80 -0.10 0.00 1.34 0.00 0.00 72.50 70.95 3ias s THR 297 CO 0.00 0.47 1.49 -2.84 -0.54 0.00 0.00 174.62 173.20 3ias s PRO 298 N -1.27 4.25 0.71 3.99 0.02 -1.26 -4.62 135.00 136.82 3ias s PRO 298 Ca 0.17 2.30 -0.15 0.00 0.02 0.00 0.00 61.00 63.34 3ias s PRO 298 Cb -0.11 -3.15 0.03 0.00 0.02 0.00 0.00 34.50 31.29 3ias s PRO 298 CO 0.07 -0.50 1.17 -1.25 -0.33 0.00 0.00 177.00 176.15 3ias s PRO 299 N 0.47 2.36 0.12 5.54 0.04 -1.26 -4.59 135.00 137.67 3ias s PRO 299 Ca 0.65 1.62 0.09 0.00 0.04 0.00 0.00 61.00 63.40 3ias s PRO 299 Cb -0.42 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 3ias s PRO 299 CO 0.36 -1.64 -0.21 -0.51 0.04 0.00 0.00 177.00 175.04 3ias s LEU 300 N -5.07 2.33 0.59 -3.56 1.43 -0.81 -4.81 118.68 108.77 3ias s LEU 300 Ca 0.71 -0.73 -0.15 0.00 -1.03 0.00 0.00 54.13 52.94 3ias s LEU 300 Cb -0.26 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 3ias s LEU 300 CO 0.44 0.06 1.03 -2.84 0.23 0.00 0.00 176.35 175.27 3ias s PRO 301 N -2.11 3.48 -1.47 1.29 0.02 -1.26 -0.13 135.00 134.83 3ias s PRO 301 Ca 0.09 1.05 -0.09 0.00 0.02 0.00 0.00 61.00 62.07 3ias s PRO 301 Cb -0.09 -2.06 0.03 0.00 0.02 0.00 0.00 34.50 32.39 3ias s PRO 301 CO 0.05 -0.67 2.52 0.34 -0.33 0.00 0.00 177.00 178.91 3ias n PHE 302 N -2.12 2.74 -3.39 6.54 7.35 -0.01 -4.70 117.46 123.88 3ias n PHE 302 Ca 0.08 -2.96 -0.19 0.00 -0.76 0.00 0.00 57.45 53.62 3ias n PHE 302 Cb 0.53 -2.25 -0.01 0.00 0.35 0.00 0.00 39.48 38.11 3ias n PHE 302 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3ias s THR 303 N 1.19 3.62 0.10 -2.13 -4.23 -1.26 -4.95 115.64 107.97 3ias s THR 303 Ca 0.57 -1.06 -0.27 0.00 -1.18 0.00 0.00 61.69 59.75 3ias s THR 303 Cb 0.16 -3.24 -0.12 0.00 1.34 0.00 0.00 72.50 70.64 3ias s THR 303 CO -0.07 -0.10 1.67 -0.33 -0.54 0.00 0.00 174.62 175.25 3ias h GLU 304 N 0.87 -0.40 -0.04 3.99 4.39 -2.00 -2.44 114.58 118.96 3ias h GLU 304 Ca -0.44 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.30 3ias h GLU 304 Cb 1.26 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 30.00 3ias h GLU 304 CO 0.51 -0.27 0.16 1.49 -1.16 0.00 0.00 179.01 179.75 3ias h GLU 305 N -0.41 0.00 0.01 2.33 4.81 -1.96 -1.42 114.58 117.94 3ias h GLU 305 Ca -0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 3ias h GLU 305 Cb 0.38 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3ias h GLU 305 CO -0.04 0.00 -0.43 0.28 -0.73 0.00 0.00 179.01 178.10 3ias h VAL 306 N 0.00 1.52 -0.63 0.32 2.07 -1.79 -3.23 116.25 114.51 3ias h VAL 306 Ca 0.02 -2.32 0.16 0.00 0.82 0.00 0.00 66.70 65.38 3ias h VAL 306 Cb 0.34 3.06 -0.03 0.00 -1.52 0.00 0.00 31.29 33.13 3ias h VAL 306 CO -0.00 0.54 0.44 -0.07 0.02 0.00 0.00 177.57 178.50 3ias h LEU 307 N -0.94 0.11 -2.84 2.57 3.38 -0.88 -0.37 115.31 116.35 3ias h LEU 307 Ca -0.11 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3ias h LEU 307 Cb 1.14 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3ias h LEU 307 CO -0.04 0.06 0.00 0.47 0.09 0.00 0.00 178.44 179.01 3ias n ASP 308 N -4.40 4.39 -4.83 -0.43 8.00 -0.62 -0.03 116.55 118.64 3ias n ASP 308 Ca 0.12 -2.50 -0.36 0.00 0.71 0.00 0.00 54.79 52.76 3ias n ASP 308 Cb 0.62 -0.57 -0.06 0.00 -0.02 0.00 0.00 41.12 41.09 3ias n ASP 308 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ias s THR 309 N -2.01 4.79 -0.06 -3.53 2.01 -0.15 -4.89 115.64 111.80 3ias s THR 309 Ca 0.44 1.00 -0.30 0.00 0.31 0.00 0.00 61.69 63.14 3ias s THR 309 Cb 0.30 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 3ias s THR 309 CO 0.19 0.33 1.21 -2.84 -0.69 0.00 0.00 174.62 172.82 3ias s PRO 310 N -1.70 4.34 -1.00 4.92 0.02 -1.26 -2.66 135.00 137.66 3ias s PRO 310 Ca 0.36 1.68 -0.23 0.00 0.02 0.00 0.00 61.00 62.82 3ias s PRO 310 Cb -0.16 -3.57 -0.03 0.00 0.02 0.00 0.00 34.50 30.76 3ias s PRO 310 CO 0.19 -0.47 1.83 -1.64 -0.33 0.00 0.00 177.00 176.59 3ias s MET 311 N 2.29 2.85 0.16 5.54 -1.94 -0.92 -4.20 119.30 123.07 3ias s MET 311 Ca 0.56 -0.74 -0.02 0.00 -1.71 0.00 0.00 55.69 53.78 3ias s MET 311 Cb -0.25 -5.19 -0.04 0.00 2.01 0.00 0.00 34.83 31.37 3ias s MET 311 CO 0.22 -3.18 0.11 -1.54 -0.01 0.00 0.00 175.02 170.62 3ias s SER 312 N 6.87 0.23 0.00 3.03 1.04 -1.26 -2.12 113.70 121.49 3ias s SER 312 Ca 0.64 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.85 3ias s SER 312 Cb -0.03 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.42 3ias s SER 312 CO 0.00 -0.78 0.73 -1.22 0.98 0.00 0.00 173.24 172.95 3ias n TYR 313 N -0.16 0.00 0.02 5.02 4.01 -1.26 -2.57 117.16 122.22 3ias n TYR 313 Ca -0.04 -0.35 0.00 0.00 -0.16 0.00 0.00 57.90 57.35 3ias n TYR 313 Cb 0.64 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 3ias n TYR 313 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 3ias n GLU 314 N 0.58 0.00 0.18 -0.72 0.28 -1.26 -4.69 120.64 115.01 3ias n GLU 314 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.04 3ias n GLU 314 Cb 0.37 0.00 0.35 0.00 1.43 0.00 0.00 31.44 33.59 3ias n GLU 314 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3ias h HIS 315 N 0.00 0.00 0.12 -1.84 3.86 -1.79 -0.66 115.15 114.85 3ias h HIS 315 Ca 0.00 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.91 3ias h HIS 315 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 3ias h HIS 315 CO 0.00 0.40 -1.46 -0.07 0.86 0.00 0.00 177.93 177.66 3ias h LEU 316 N 0.00 0.40 0.08 2.43 3.38 -1.66 -3.30 115.31 116.63 3ias h LEU 316 Ca -0.00 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.45 3ias h LEU 316 Cb 0.78 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3ias h LEU 316 CO 0.05 1.42 -0.12 -0.61 0.09 0.00 0.00 178.44 179.27 3ias h GLN 317 N 0.07 -0.20 -0.89 1.13 5.75 -1.59 -1.88 115.11 117.50 3ias h GLN 317 Ca -0.21 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 3ias h GLN 317 Cb 2.01 0.05 0.00 0.00 1.07 0.00 0.00 27.48 30.60 3ias h GLN 317 CO 0.17 -0.13 0.00 0.00 -2.65 0.00 0.00 178.83 176.22 3ias n ALA 318 N -2.46 2.15 -0.06 3.38 0.00 -0.30 -1.91 120.51 121.30 3ias n ALA 318 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3ias n ALA 318 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3ias n ALA 318 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3ias n LYS 319 N 0.28 2.46 0.00 0.00 3.00 -0.74 -4.99 118.16 118.17 3ias n LYS 319 Ca 0.00 -1.35 0.00 0.00 -0.00 0.00 0.00 58.31 56.96 3ias n LYS 319 Cb 0.24 -0.97 0.00 0.00 0.00 0.00 0.00 35.03 34.30 3ias n LYS 319 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ias n GLY 320 N -0.43 2.80 0.00 3.14 0.00 -0.80 -5.01 105.19 104.89 3ias n GLY 320 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3ias n GLY 320 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ias n SER 321 N 0.45 0.00 -3.64 1.61 2.88 -1.01 -4.88 113.62 109.03 3ias n SER 321 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 3ias n SER 321 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 3ias n SER 321 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ias s MET 322 N 4.76 0.09 -0.50 -1.46 0.23 -1.25 -4.13 119.30 117.04 3ias s MET 322 Ca 0.00 0.03 -0.20 0.00 -1.03 0.00 0.00 55.69 54.49 3ias s MET 322 Cb 0.00 0.04 0.05 0.00 -1.53 0.00 0.00 34.83 33.39 3ias s MET 322 CO 0.00 -0.03 0.69 -1.17 -2.03 0.00 0.00 175.02 172.48 3ias s LEU 323 N -0.87 4.68 0.00 0.18 0.20 -1.26 -3.56 118.68 118.04 3ias s LEU 323 Ca 0.08 -0.66 0.00 0.00 0.69 0.00 0.00 54.13 54.24 3ias s LEU 323 Cb -0.01 -2.59 0.00 0.00 -0.43 0.00 0.00 46.19 43.16 3ias s LEU 323 CO -0.08 -0.93 0.00 0.61 -0.29 0.00 0.00 176.35 175.66 3ias n GLY 324 N 5.13 1.76 1.61 7.98 0.00 -1.26 -4.69 105.19 115.71 3ias n GLY 324 Ca -0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.07 3ias n GLY 324 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ias n THR 325 N 0.00 2.04 -1.16 2.61 -2.24 -1.26 -3.85 114.28 110.42 3ias n THR 325 Ca 0.00 -1.27 -0.06 0.00 -2.27 0.00 0.00 64.05 60.45 3ias n THR 325 Cb 0.00 0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.24 3ias n THR 325 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ias n GLY 326 N 0.94 0.61 3.44 3.38 0.00 -1.26 -4.72 105.19 107.58 3ias n GLY 326 Ca 0.26 -0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 3ias n GLY 326 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ias s GLY 327 N -2.26 2.44 0.54 -0.02 0.00 -0.35 -2.11 107.32 105.57 3ias s GLY 327 Ca 0.00 -3.33 -0.22 0.00 0.00 0.00 0.00 44.72 41.18 3ias s GLY 327 CO 0.00 1.93 1.34 0.14 0.00 0.00 0.00 173.10 176.51 3ias s VAL 328 N 1.36 2.16 -0.07 1.40 1.01 0.20 -4.49 120.40 121.97 3ias s VAL 328 Ca 0.39 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 3ias s VAL 328 Cb -0.04 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.30 3ias s VAL 328 CO -0.03 -0.00 -0.02 -0.63 0.00 0.00 0.00 175.10 174.42 3ias s ILE 329 N -1.33 0.50 0.18 2.22 1.01 -0.84 -1.49 121.20 121.46 3ias s ILE 329 Ca 0.72 0.00 -0.14 0.00 0.00 0.00 0.00 60.65 61.23 3ias s ILE 329 Cb -0.39 -0.60 -0.07 0.00 0.01 0.00 0.00 42.46 41.40 3ias s ILE 329 CO 0.46 0.26 0.58 -0.76 0.00 0.00 0.00 174.94 175.48 3ias s LEU 330 N 1.63 4.29 -0.11 2.97 1.43 -0.90 -1.12 118.68 126.87 3ias s LEU 330 Ca 0.00 1.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.19 3ias s LEU 330 Cb -0.13 -3.43 0.02 0.00 0.03 0.00 0.00 46.19 42.68 3ias s LEU 330 CO -0.04 0.04 -0.10 -0.63 0.23 0.00 0.00 176.35 175.85 3ias s ILE 331 N -1.57 1.18 0.47 -0.59 1.01 -0.16 -4.40 121.20 117.14 3ias s ILE 331 Ca 0.41 -0.41 -0.20 0.00 0.00 0.00 0.00 60.65 60.45 3ias s ILE 331 Cb -0.14 -1.14 -0.09 0.00 0.01 0.00 0.00 42.46 41.10 3ias s ILE 331 CO 0.20 0.39 0.99 -2.16 0.00 0.00 0.00 174.94 174.35 3ias s PRO 332 N 1.38 3.99 0.23 2.79 0.04 -1.26 -0.51 135.00 141.66 3ias s PRO 332 Ca -0.00 1.17 0.20 0.00 0.04 0.00 0.00 61.00 62.40 3ias s PRO 332 Cb -0.13 -2.14 0.91 0.00 0.04 0.00 0.00 34.50 33.18 3ias s PRO 332 CO -0.05 -0.25 1.60 0.39 0.04 0.00 0.00 177.00 178.72 3ias n GLU 333 N -1.00 0.13 0.00 4.56 1.02 -0.76 -2.48 120.64 122.12 3ias n GLU 333 Ca 0.08 0.49 0.13 0.00 -0.02 0.00 0.00 57.16 57.84 3ias n GLU 333 Cb 0.53 -1.83 0.61 0.00 -0.02 0.00 0.00 31.44 30.74 3ias n GLU 333 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3ias n ARG 334 N -2.09 0.13 -4.91 3.49 0.63 -1.26 -4.68 116.66 107.96 3ias n ARG 334 Ca 0.01 0.04 -0.28 0.00 -0.92 0.00 0.00 57.85 56.70 3ias n ARG 334 Cb 0.13 -1.50 -0.16 0.00 0.45 0.00 0.00 32.46 31.37 3ias n ARG 334 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3ias s VAL 335 N -2.85 1.58 0.20 5.15 1.01 -1.04 -4.59 120.40 119.87 3ias s VAL 335 Ca 0.17 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 3ias s VAL 335 Cb 0.18 -1.38 -0.09 0.00 0.00 0.00 0.00 36.38 35.10 3ias s VAL 335 CO 0.46 0.45 1.24 -0.55 0.00 0.00 0.00 175.10 176.71 3ias s SER 336 N 0.26 7.00 0.43 3.32 0.15 -1.26 -4.81 113.70 118.80 3ias s SER 336 Ca -0.11 2.33 0.17 0.00 0.70 0.00 0.00 55.95 59.05 3ias s SER 336 Cb -0.15 -2.61 1.09 0.00 -1.71 0.00 0.00 66.02 62.64 3ias s SER 336 CO 0.05 -0.43 1.89 0.24 1.20 0.00 0.00 173.24 176.19 3ias h MET 337 N 5.10 0.37 -0.02 5.44 2.86 -1.94 0.10 114.93 126.85 3ias h MET 337 Ca -0.45 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.17 3ias h MET 337 Cb 1.21 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.79 3ias h MET 337 CO 0.75 0.25 0.01 0.28 1.06 0.00 0.00 176.91 179.25 3ias h VAL 338 N 0.39 1.12 -0.97 -2.22 2.07 -1.90 -2.19 116.25 112.55 3ias h VAL 338 Ca 0.42 -0.35 0.23 0.00 0.82 0.00 0.00 66.70 67.82 3ias h VAL 338 Cb 1.04 1.32 -0.08 0.00 -1.52 0.00 0.00 31.29 32.06 3ias h VAL 338 CO -0.14 0.09 0.64 -0.78 0.02 0.00 0.00 177.57 177.40 3ias h ASP 339 N -0.12 0.41 -0.14 0.57 3.58 -1.20 0.52 116.42 120.04 3ias h ASP 339 Ca 0.01 0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.43 3ias h ASP 339 Cb 0.14 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.18 3ias h ASP 339 CO -0.00 0.13 -0.22 0.00 -2.88 0.00 0.00 179.24 176.27 3ias h ALA 340 N 1.60 0.21 -0.23 -0.78 0.00 -0.93 -2.50 119.26 116.63 3ias h ALA 340 Ca 0.53 -0.37 -0.20 0.00 0.00 0.00 0.00 54.91 54.86 3ias h ALA 340 Cb 1.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3ias h ALA 340 CO -0.22 0.17 -0.64 0.52 0.00 0.00 0.00 179.25 179.08 3ias h MET 341 N -0.01 0.83 -0.91 0.00 2.86 -0.61 -1.58 114.93 115.51 3ias h MET 341 Ca 0.01 -0.59 0.17 0.00 -2.06 0.00 0.00 59.70 57.23 3ias h MET 341 Cb 0.79 0.10 -0.16 0.00 0.06 0.00 0.00 31.60 32.39 3ias h MET 341 CO 0.05 1.21 -0.27 1.87 1.06 0.00 0.00 176.91 180.84 3ias n TRP 342 N -4.00 0.23 0.28 -0.22 -0.00 0.17 -0.60 117.44 113.31 3ias n TRP 342 Ca -0.06 1.11 -0.12 0.00 -0.00 0.00 0.00 57.50 58.44 3ias n TRP 342 Cb 0.67 -0.97 -0.05 0.00 -0.00 0.00 0.00 31.31 30.96 3ias n TRP 342 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 177.69 176.72 3ias h ASN 343 N 0.00 -0.64 -0.79 5.87 -0.73 -1.11 -2.63 115.58 115.56 3ias h ASN 343 Ca 0.40 0.02 0.18 0.00 1.87 0.00 0.00 56.30 58.77 3ias h ASN 343 Cb 0.63 0.16 -0.12 0.00 0.27 0.00 0.00 38.32 39.26 3ias h ASN 343 CO -0.93 -0.29 0.18 -0.07 -0.37 0.00 0.00 177.43 175.95 3ias h LEU 344 N -1.08 -0.03 -0.19 0.34 3.38 -0.47 -0.60 115.31 116.66 3ias h LEU 344 Ca -0.08 0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 3ias h LEU 344 Cb 0.58 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 3ias h LEU 344 CO 0.13 -0.09 -0.23 0.71 0.09 0.00 0.00 178.44 179.05 3ias h THR 345 N 0.23 1.34 -0.29 0.22 1.35 -0.95 -1.99 112.91 112.82 3ias h THR 345 Ca 0.46 -1.42 0.08 0.00 -0.55 0.00 0.00 66.41 64.98 3ias h THR 345 Cb 0.83 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 69.05 3ias h THR 345 CO -0.57 0.43 0.30 0.08 -0.25 0.00 0.00 175.52 175.51 3ias h ARG 346 N 0.16 0.00 0.70 4.72 0.11 -0.82 0.48 114.38 119.73 3ias h ARG 346 Ca 0.03 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.07 3ias h ARG 346 Cb 0.79 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.88 3ias h ARG 346 CO 0.06 0.00 -0.34 0.35 0.10 0.00 0.00 179.97 180.14 3ias h PHE 347 N 0.00 -0.88 -0.45 4.08 3.57 -0.46 -1.85 116.94 120.95 3ias h PHE 347 Ca 0.14 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.69 3ias h PHE 347 Cb 0.74 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 3ias h PHE 347 CO 0.00 -0.54 0.31 1.88 -2.23 0.00 0.00 178.31 177.73 3ias h TYR 348 N -1.25 0.32 -0.39 0.41 0.05 -0.36 0.33 116.97 116.09 3ias h TYR 348 Ca -0.10 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.66 3ias h TYR 348 Cb 0.73 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.35 3ias h TYR 348 CO 0.00 0.17 0.13 0.00 -1.05 0.00 0.00 178.16 177.40 3ias h ALA 349 N 1.76 0.50 0.00 3.88 0.00 -0.12 -0.25 119.26 125.04 3ias h ALA 349 Ca 0.20 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3ias h ALA 349 Cb 0.39 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3ias h ALA 349 CO -0.05 0.14 -0.64 1.25 0.00 0.00 0.00 179.25 179.95 3ias h HIS 350 N 0.48 0.00 -0.01 0.00 -0.00 -0.17 -3.21 115.15 112.23 3ias h HIS 350 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.49 3ias h HIS 350 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 3ias h HIS 350 CO 0.01 0.64 -0.05 0.39 -0.00 0.00 0.00 177.93 178.92 3ias n GLU 351 N -3.77 1.54 -2.08 5.26 -0.58 0.98 -4.93 120.64 117.06 3ias n GLU 351 Ca -0.01 -0.94 -0.35 0.00 -0.42 0.00 0.00 57.16 55.45 3ias n GLU 351 Cb 0.64 -1.48 0.02 0.00 -0.57 0.00 0.00 31.44 30.05 3ias n GLU 351 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3ias s SER 352 N -2.10 5.44 -0.03 1.62 0.15 -0.16 -4.36 113.70 114.25 3ias s SER 352 Ca 0.35 2.20 0.06 0.00 0.70 0.00 0.00 55.95 59.25 3ias s SER 352 Cb 0.21 -2.58 -0.24 0.00 -1.71 0.00 0.00 66.02 61.69 3ias s SER 352 CO 0.37 -1.41 0.70 0.00 1.20 0.00 0.00 173.24 174.09 3ias n GLY 354 N 1.64 1.33 0.13 0.00 0.00 -1.26 -5.02 105.19 102.01 3ias n GLY 354 Ca -0.18 -0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 3ias n GLY 354 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ias n LYS 355 N -0.48 0.65 -3.29 1.61 4.81 -1.26 -4.98 118.16 115.22 3ias n LYS 355 Ca 0.00 0.16 -0.39 0.00 -0.87 0.00 0.00 58.31 57.22 3ias n LYS 355 Cb 0.08 -1.53 -0.06 0.00 0.02 0.00 0.00 35.03 33.54 3ias n LYS 355 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ias h THR 357 N 3.68 0.89 -0.54 0.00 2.02 -1.98 -0.51 112.91 116.48 3ias h THR 357 Ca -0.49 -0.34 0.16 0.00 0.77 0.00 0.00 66.41 66.51 3ias h THR 357 Cb 1.21 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 3ias h THR 357 CO 0.64 0.08 0.44 1.55 0.37 0.00 0.00 175.52 178.61 3ias h PRO 358 N -0.41 0.00 0.00 6.66 0.13 -1.94 -1.30 132.00 135.14 3ias h PRO 358 Ca -0.02 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.79 3ias h PRO 358 Cb 0.31 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.40 3ias h PRO 358 CO 0.04 0.00 -2.00 0.00 -0.23 0.00 0.00 178.00 175.81 3ias h ARG 360 N -0.85 0.06 0.05 0.00 2.43 -1.01 -1.50 114.38 113.57 3ias h ARG 360 Ca -0.47 -0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.31 3ias h ARG 360 Cb 1.38 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.87 3ias h ARG 360 CO -0.29 0.04 -2.27 0.39 -1.51 0.00 0.00 179.97 176.33 3ias n GLU 361 N -5.28 0.69 0.00 0.20 -0.58 -0.52 -3.52 120.64 111.63 3ias n GLU 361 Ca 0.05 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 3ias n GLU 361 Cb 0.27 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 3ias n GLU 361 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ias n GLY 362 N 2.13 -2.56 0.15 0.62 0.00 -0.88 -0.80 105.19 103.86 3ias n GLY 362 Ca -0.40 0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.47 3ias n GLY 362 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3ias h VAL 363 N 0.00 1.40 0.00 1.61 -1.51 -1.27 -0.48 116.25 116.00 3ias h VAL 363 Ca 0.00 -1.96 0.00 0.00 -1.23 0.00 0.00 66.70 63.51 3ias h VAL 363 Cb 0.00 2.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 3ias h VAL 363 CO 0.00 0.58 -0.14 0.00 -1.23 0.00 0.00 177.57 176.78 3ias n ALA 364 N -2.57 2.62 -0.00 5.19 0.00 -0.62 -2.27 120.51 122.87 3ias n ALA 364 Ca -0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 53.44 53.19 3ias n ALA 364 Cb 0.64 -1.38 -0.00 0.00 0.00 0.00 0.00 19.45 18.71 3ias n ALA 364 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ias n GLY 365 N 1.47 -0.12 0.00 0.00 0.00 -0.36 -4.77 105.19 101.41 3ias n GLY 365 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3ias n GLY 365 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3ias n PHE 366 N -2.55 0.00 -0.10 1.61 -0.00 0.02 -3.61 117.46 112.83 3ias n PHE 366 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.42 3ias n PHE 366 Cb 0.01 -0.21 -0.02 0.00 -0.00 0.00 0.00 39.48 39.25 3ias n PHE 366 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 3ias n MET 367 N -1.14 -0.11 -0.26 -4.13 2.81 -0.25 -0.82 117.12 113.23 3ias n MET 367 Ca 0.00 0.79 0.05 0.00 -1.81 0.00 0.00 57.70 56.73 3ias n MET 367 Cb 0.00 -1.17 0.19 0.00 -0.71 0.00 0.00 33.22 31.53 3ias n MET 367 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 3ias h VAL 368 N 0.00 0.63 -0.70 2.03 3.04 -1.64 -0.44 116.25 119.17 3ias h VAL 368 Ca 0.04 -0.14 -0.00 0.00 -1.01 0.00 0.00 66.70 65.58 3ias h VAL 368 Cb 0.10 0.18 -0.03 0.00 -2.01 0.00 0.00 31.29 29.52 3ias h VAL 368 CO -0.23 0.08 0.43 0.78 -1.01 0.00 0.00 177.57 177.62 3ias h ASN 369 N 0.42 0.82 0.57 3.17 2.35 -1.04 -2.16 115.58 119.71 3ias h ASN 369 Ca 0.42 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 56.11 3ias h ASN 369 Cb 0.65 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 3ias h ASN 369 CO -0.42 0.62 -0.50 -0.07 -1.65 0.00 0.00 177.43 175.42 3ias h LEU 370 N 0.95 -1.34 -0.92 1.61 -0.00 -0.62 -0.48 115.31 114.52 3ias h LEU 370 Ca 0.25 0.10 0.24 0.00 -0.00 0.00 0.00 57.88 58.48 3ias h LEU 370 Cb -0.06 0.43 -0.13 0.00 -0.00 0.00 0.00 40.66 40.90 3ias h LEU 370 CO -0.05 -0.68 0.41 -0.26 -0.00 0.00 0.00 178.44 177.86 3ias h PHE 371 N -1.04 0.66 0.37 1.13 0.04 -1.27 0.19 116.94 117.02 3ias h PHE 371 Ca -0.07 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 3ias h PHE 371 Cb 0.88 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.88 3ias h PHE 371 CO -0.22 -0.10 -0.27 0.00 -0.60 0.00 0.00 178.31 177.12 3ias h ALA 372 N 1.75 -0.64 0.04 2.45 0.00 -0.67 0.44 119.26 122.63 3ias h ALA 372 Ca 0.60 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3ias h ALA 372 Cb 1.20 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 3ias h ALA 372 CO -0.57 -0.88 -0.08 -0.22 0.00 0.00 0.00 179.25 177.50 3ias h LYS 373 N -0.64 -0.13 -0.46 0.00 3.64 0.84 -2.04 116.57 117.79 3ias h LYS 373 Ca -0.03 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.49 3ias h LYS 373 Cb 0.55 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 3ias h LYS 373 CO 0.00 -0.08 0.36 0.97 -2.27 0.00 0.00 179.45 178.43 3ias h ILE 374 N -0.13 0.64 -0.46 2.00 2.10 -0.87 -0.86 117.51 119.93 3ias h ILE 374 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3ias h ILE 374 Cb 0.12 0.74 0.00 0.00 -1.09 0.00 0.00 36.82 36.59 3ias h ILE 374 CO -0.03 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.65 3ias n GLY 375 N -1.58 1.20 0.22 8.18 0.00 0.15 -2.98 105.19 110.39 3ias n GLY 375 Ca 0.08 -0.52 0.07 0.00 0.00 0.00 0.00 46.02 45.65 3ias n GLY 375 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ias n THR 376 N 0.89 1.69 -2.07 2.61 -1.04 -0.40 -2.79 114.28 113.16 3ias n THR 376 Ca 0.16 -1.84 -0.18 0.00 -2.04 0.00 0.00 64.05 60.15 3ias n THR 376 Cb 0.41 -0.03 -0.04 0.00 -1.82 0.00 0.00 70.33 68.85 3ias n THR 376 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ias n GLY 377 N -0.95 0.36 0.79 3.41 0.00 -1.16 -4.26 105.19 103.38 3ias n GLY 377 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 3ias n GLY 377 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ias n GLN 378 N -2.66 2.07 -3.49 1.61 1.13 -0.76 -4.31 117.38 110.96 3ias n GLN 378 Ca -0.20 -1.58 -0.28 0.00 -1.94 0.00 0.00 57.00 53.00 3ias n GLN 378 Cb 0.64 -1.46 -0.03 0.00 0.11 0.00 0.00 30.24 29.50 3ias n GLN 378 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3ias s GLY 379 N -1.75 1.80 0.41 1.08 0.00 -1.20 -4.78 107.32 102.88 3ias s GLY 379 Ca 0.34 -0.69 0.07 0.00 0.00 0.00 0.00 44.72 44.44 3ias s GLY 379 CO 0.30 -0.61 0.18 -0.54 0.00 0.00 0.00 173.10 172.43 3ias s GLU 380 N -3.50 2.23 0.40 2.90 8.01 -1.26 -4.57 118.70 122.91 3ias s GLU 380 Ca 0.41 -1.83 0.18 0.00 0.01 0.00 0.00 54.97 53.74 3ias s GLU 380 Cb -0.11 -1.99 1.09 0.00 -4.31 0.00 0.00 34.13 28.81 3ias s GLU 380 CO 0.30 -0.11 1.79 1.49 0.01 0.00 0.00 175.26 178.74 3ias h GLU 381 N 1.43 0.40 -0.13 1.61 4.81 -1.92 -1.48 114.58 119.30 3ias h GLU 381 Ca -0.43 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.81 3ias h GLU 381 Cb 1.25 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 3ias h GLU 381 CO 0.70 0.26 -0.11 0.87 -0.73 0.00 0.00 179.01 180.01 3ias h LYS 382 N 0.41 -0.12 -0.60 1.92 1.57 -2.00 -2.67 116.57 115.09 3ias h LYS 382 Ca 0.56 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.47 3ias h LYS 382 Cb 1.40 0.03 -0.12 0.00 0.08 0.00 0.00 32.23 33.62 3ias h LYS 382 CO -0.27 -0.08 -0.24 -0.44 -0.57 0.00 0.00 179.45 177.85 3ias h ASP 383 N -0.12 -0.86 -0.32 0.86 3.32 -1.66 -0.26 116.42 117.37 3ias h ASP 383 Ca 0.08 0.21 0.07 0.00 0.02 0.00 0.00 57.03 57.41 3ias h ASP 383 Cb 0.24 0.48 -0.08 0.00 0.22 0.00 0.00 39.33 40.19 3ias h ASP 383 CO -0.20 -0.26 -0.22 0.58 -1.72 0.00 0.00 179.24 177.42 3ias h VAL 384 N -0.09 0.41 -0.54 -1.35 2.07 -1.52 -1.42 116.25 113.80 3ias h VAL 384 Ca 0.27 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.91 3ias h VAL 384 Cb 0.51 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3ias h VAL 384 CO -0.66 0.00 0.37 -0.33 0.02 0.00 0.00 177.57 176.97 3ias h GLU 385 N -0.18 0.20 0.00 1.57 5.08 -0.91 -0.76 114.58 119.59 3ias h GLU 385 Ca 0.17 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 3ias h GLU 385 Cb 0.44 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3ias h GLU 385 CO -0.43 0.13 -0.14 -0.91 -1.00 0.00 0.00 179.01 176.66 3ias h ASN 386 N 0.21 0.11 -0.94 1.42 2.35 -0.80 -1.85 115.58 116.08 3ias h ASN 386 Ca 0.26 -0.82 0.19 0.00 -0.55 0.00 0.00 56.30 55.38 3ias h ASN 386 Cb 0.73 -0.04 -0.08 0.00 0.05 0.00 0.00 38.32 38.98 3ias h ASN 386 CO -0.05 0.92 0.60 0.25 -1.65 0.00 0.00 177.43 177.51 3ias h LEU 387 N -0.68 0.59 -0.39 1.61 5.85 -0.84 0.35 115.31 121.81 3ias h LEU 387 Ca -0.02 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3ias h LEU 387 Cb 0.94 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3ias h LEU 387 CO 0.03 0.24 0.20 -0.08 -0.34 0.00 0.00 178.44 178.49 3ias h GLU 388 N 0.60 0.55 -0.00 1.25 4.57 -1.10 -3.18 114.58 117.26 3ias h GLU 388 Ca 0.51 -0.07 -0.16 0.00 -1.18 0.00 0.00 59.36 58.45 3ias h GLU 388 Cb 0.99 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.46 3ias h GLU 388 CO -0.25 0.46 -0.76 0.00 -1.18 0.00 0.00 179.01 177.28 3ias h ALA 389 N 1.05 0.74 -0.60 2.92 0.00 0.39 -3.22 119.26 120.55 3ias h ALA 389 Ca 0.13 -0.69 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 3ias h ALA 389 Cb 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3ias h ALA 389 CO -0.02 0.93 0.22 -0.07 0.00 0.00 0.00 179.25 180.32 3ias h LEU 390 N 0.01 0.82 -0.15 0.00 3.38 -0.57 -3.29 115.31 115.51 3ias h LEU 390 Ca -0.01 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3ias h LEU 390 Cb 1.34 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 3ias h LEU 390 CO 0.10 0.75 -0.51 -0.07 0.09 0.00 0.00 178.44 178.80 3ias h LEU 391 N 0.87 -1.61 -0.82 1.67 3.38 -1.59 -0.52 115.31 116.69 3ias h LEU 391 Ca 0.20 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.37 3ias h LEU 391 Cb 0.20 0.63 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3ias h LEU 391 CO -0.02 -0.44 0.00 -0.81 0.09 0.00 0.00 178.44 177.26 3ias n PRO 392 N -5.21 0.11 0.18 1.13 -0.04 -1.24 -1.21 135.00 128.73 3ias n PRO 392 Ca -0.05 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.05 3ias n PRO 392 Cb 0.35 -1.80 0.17 0.00 -0.04 0.00 0.00 33.50 32.18 3ias n PRO 392 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3ias h LEU 393 N 0.00 0.00 0.00 1.53 3.38 -1.23 -3.38 115.31 115.61 3ias h LEU 393 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ias h LEU 393 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3ias h LEU 393 CO 0.00 0.00 -0.61 -0.38 0.09 0.00 0.00 178.44 177.55 3ias n ILE 394 N -2.89 1.29 -0.28 1.22 5.41 -0.42 -4.65 119.36 119.05 3ias n ILE 394 Ca 0.03 0.24 0.00 0.00 1.00 0.00 0.00 62.75 64.02 3ias n ILE 394 Cb 0.52 -2.03 0.04 0.00 -0.71 0.00 0.00 39.64 37.46 3ias n ILE 394 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3ias n GLU 395 N -4.00 -0.16 0.00 0.38 2.13 -0.35 -1.30 120.64 117.35 3ias n GLU 395 Ca -0.08 1.14 0.00 0.00 0.66 0.00 0.00 57.16 58.87 3ias n GLU 395 Cb 0.32 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.34 3ias n GLU 395 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ias n GLY 396 N -1.37 -2.84 3.13 8.31 0.00 -1.26 -4.61 105.19 106.56 3ias n GLY 396 Ca 0.08 0.29 -0.34 0.00 0.00 0.00 0.00 46.02 46.05 3ias n GLY 396 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ias s ARG 397 N -2.72 2.38 0.00 1.61 3.00 -0.42 -5.04 118.95 117.76 3ias s ARG 397 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 55.73 54.45 3ias s ARG 397 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 34.95 31.91 3ias s ARG 397 CO 0.00 -0.58 0.00 0.43 0.00 0.00 0.00 175.30 175.15 3ias n SER 398 N 4.54 0.75 -0.10 0.23 7.64 -1.26 -4.81 113.62 120.62 3ias n SER 398 Ca -0.14 -0.46 -0.21 0.00 1.01 0.00 0.00 58.87 59.07 3ias n SER 398 Cb 0.43 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.51 3ias n SER 398 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3ias n PHE 399 N 0.00 0.33 -4.46 1.43 7.35 -1.26 -5.00 117.46 115.85 3ias n PHE 399 Ca 0.00 0.08 -0.22 0.00 -0.76 0.00 0.00 57.45 56.55 3ias n PHE 399 Cb 0.00 -1.04 -0.10 0.00 0.35 0.00 0.00 39.48 38.68 3ias n PHE 399 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ias n PRO 401 N -0.67 0.63 -0.02 0.00 -0.02 -1.26 -3.71 135.00 129.95 3ias n PRO 401 Ca -0.05 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.33 3ias n PRO 401 Cb 0.65 -1.37 -0.05 0.00 -0.02 0.00 0.00 33.50 32.71 3ias n PRO 401 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ias h LEU 402 N 0.00 0.16 -0.50 2.45 6.46 -1.99 -1.23 115.31 120.66 3ias h LEU 402 Ca 0.00 -0.04 0.05 0.00 -0.12 0.00 0.00 57.88 57.78 3ias h LEU 402 Cb 0.00 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 39.84 3ias h LEU 402 CO 0.00 0.14 0.23 0.00 -0.62 0.00 0.00 178.44 178.19 3ias h ALA 403 N 1.02 0.63 -0.75 1.25 0.00 -1.98 0.11 119.26 119.54 3ias h ALA 403 Ca 0.05 0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.14 3ias h ALA 403 Cb 0.02 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.67 3ias h ALA 403 CO -0.01 -0.13 0.26 -0.44 0.00 0.00 0.00 179.25 178.93 3ias h ASP 404 N 0.45 0.19 0.16 0.00 5.19 -1.71 0.12 116.42 120.82 3ias h ASP 404 Ca 0.23 0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.73 3ias h ASP 404 Cb 0.17 0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.80 3ias h ASP 404 CO -0.18 0.05 -0.14 0.00 -3.12 0.00 0.00 179.24 175.85 3ias h ALA 405 N 1.57 1.69 0.00 3.45 0.00 0.38 -1.03 119.26 125.33 3ias h ALA 405 Ca 0.42 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 3ias h ALA 405 Cb 0.67 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3ias h ALA 405 CO -0.44 0.18 -0.78 0.00 0.00 0.00 0.00 179.25 178.21 3ias h ALA 406 N 1.86 0.59 0.05 0.00 0.00 0.44 -3.37 119.26 118.83 3ias h ALA 406 Ca -0.00 -0.65 -0.32 0.00 0.00 0.00 0.00 54.91 53.93 3ias h ALA 406 Cb 0.26 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3ias h ALA 406 CO 0.02 0.85 -1.84 1.33 0.00 0.00 0.00 179.25 179.61 3ias n VAL 407 N -3.21 1.68 0.32 0.00 0.24 -0.55 -4.10 118.33 112.72 3ias n VAL 407 Ca -0.01 -0.74 -0.19 0.00 -2.04 0.00 0.00 64.34 61.37 3ias n VAL 407 Cb 0.81 -1.33 -0.10 0.00 -1.47 0.00 0.00 33.84 31.75 3ias n VAL 407 CO 0.00 0.00 0.00 -0.50 -2.14 0.00 0.00 176.83 174.19 3ias h TRP 408 N 0.03 -1.40 -0.05 6.34 6.55 -1.37 0.40 115.95 126.46 3ias h TRP 408 Ca -0.35 0.01 0.01 0.00 0.95 0.00 0.00 58.89 59.51 3ias h TRP 408 Cb 2.03 0.54 -0.00 0.00 -0.86 0.00 0.00 29.16 30.86 3ias h TRP 408 CO 0.03 -0.69 0.05 -1.00 -1.05 0.00 0.00 178.44 175.78 3ias h PRO 409 N -1.05 0.00 0.14 0.49 0.13 -1.78 0.82 132.00 130.75 3ias h PRO 409 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 3ias h PRO 409 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3ias h PRO 409 CO -0.03 0.00 -0.07 0.28 -0.23 0.00 0.00 178.00 177.95 3ias h VAL 410 N 0.00 0.69 -0.92 1.56 2.07 -1.60 -1.38 116.25 116.67 3ias h VAL 410 Ca 0.02 -1.20 0.17 0.00 0.82 0.00 0.00 66.70 66.52 3ias h VAL 410 Cb 0.12 1.21 -0.17 0.00 -1.52 0.00 0.00 31.29 30.93 3ias h VAL 410 CO -0.00 0.20 -0.27 0.50 0.02 0.00 0.00 177.57 178.02 3ias h LYS 411 N -0.95 -0.01 -0.72 1.57 3.64 0.68 0.21 116.57 121.00 3ias h LYS 411 Ca -0.02 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3ias h LYS 411 Cb 0.47 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 3ias h LYS 411 CO 0.03 -0.01 0.37 0.78 -2.27 0.00 0.00 179.45 178.36 3ias h GLY 412 N -0.01 1.09 1.68 5.01 0.00 0.58 -2.24 103.07 109.18 3ias h GLY 412 Ca 0.41 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 3ias h GLY 412 CO -0.95 0.49 -0.10 1.48 0.00 0.00 0.00 176.54 177.47 3ias h SER 413 N 1.00 0.37 -0.24 0.19 4.64 0.54 -2.30 113.55 117.74 3ias h SER 413 Ca 0.25 -0.08 -0.15 0.00 -0.47 0.00 0.00 61.79 61.34 3ias h SER 413 Cb 0.08 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3ias h SER 413 CO -0.04 0.51 -0.43 -0.07 -0.87 0.00 0.00 176.83 175.94 3ias h LEU 414 N 0.37 0.80 -1.71 5.97 4.07 -0.90 0.19 115.31 124.10 3ias h LEU 414 Ca 0.07 -0.53 0.11 0.00 0.08 0.00 0.00 57.88 57.61 3ias h LEU 414 Cb 0.41 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.88 3ias h LEU 414 CO 0.02 1.18 0.40 -0.09 -1.08 0.00 0.00 178.44 178.87 3ias h ARG 415 N 0.44 0.30 -0.00 1.13 2.43 -0.85 -1.27 114.38 116.58 3ias h ARG 415 Ca 0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ias h ARG 415 Cb 1.03 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3ias h ARG 415 CO 0.10 0.20 -0.32 0.72 -1.51 0.00 0.00 179.97 179.15 3ias n HIS 416 N -4.46 0.00 -2.11 2.20 8.25 -1.07 -4.74 115.22 113.29 3ias n HIS 416 Ca 0.10 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.57 3ias n HIS 416 Cb 0.43 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.54 3ias n HIS 416 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3ias n PHE 417 N -1.09 0.00 -0.32 4.41 3.01 0.66 -4.89 117.46 119.24 3ias n PHE 417 Ca 0.02 -0.12 0.19 0.00 1.01 0.00 0.00 57.45 58.54 3ias n PHE 417 Cb 0.12 -0.04 0.39 0.00 -0.01 0.00 0.00 39.48 39.94 3ias n PHE 417 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3ias h LYS 418 N 0.22 0.31 -0.96 -1.08 3.64 -1.32 0.47 116.57 117.84 3ias h LYS 418 Ca -0.06 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.38 3ias h LYS 418 Cb 1.48 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 33.17 3ias h LYS 418 CO 0.02 0.20 0.62 0.38 -2.27 0.00 0.00 179.45 178.40 3ias h ASP 419 N 0.32 0.95 0.14 4.20 2.03 -1.90 -0.59 116.42 121.56 3ias h ASP 419 Ca 0.66 0.02 -0.02 0.00 -0.73 0.00 0.00 57.03 56.95 3ias h ASP 419 Cb 1.41 -0.18 -0.00 0.00 -0.83 0.00 0.00 39.33 39.72 3ias h ASP 419 CO -0.61 0.58 -0.10 -0.61 -1.03 0.00 0.00 179.24 177.47 3ias h GLN 420 N 1.06 0.00 0.03 4.15 4.15 -0.43 -1.01 115.11 123.06 3ias h GLN 420 Ca 0.43 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.80 3ias h GLN 420 Cb 0.28 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.98 3ias h GLN 420 CO -0.19 0.10 -0.23 1.88 -1.93 0.00 0.00 178.83 178.46 3ias h TYR 421 N 0.00 0.18 0.00 3.99 -1.99 -1.09 -3.28 116.97 114.78 3ias h TYR 421 Ca -0.00 -0.12 -0.02 0.00 2.00 0.00 0.00 58.73 60.59 3ias h TYR 421 Cb 0.20 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 38.91 3ias h TYR 421 CO 0.00 1.02 -0.10 -0.07 -0.00 0.00 0.00 178.16 179.01 3ias h LEU 422 N -0.72 0.00 0.68 3.88 3.38 -1.15 -2.93 115.31 118.46 3ias h LEU 422 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3ias h LEU 422 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3ias h LEU 422 CO 0.04 0.10 -0.34 0.00 0.09 0.00 0.00 178.44 178.33 3ias h ALA 423 N 1.90 -1.24 -0.04 1.53 0.00 -1.25 0.52 119.26 120.67 3ias h ALA 423 Ca -0.00 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3ias h ALA 423 Cb 0.18 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3ias h ALA 423 CO 0.01 -1.18 0.10 -0.07 0.00 0.00 0.00 179.25 178.11 3ias h LEU 424 N -0.93 0.00 0.00 0.00 4.07 -1.60 -0.63 115.31 116.22 3ias h LEU 424 Ca -0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.87 3ias h LEU 424 Cb 0.72 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.46 3ias h LEU 424 CO 0.14 0.00 -0.03 0.00 -1.08 0.00 0.00 178.44 177.47 3ias h ALA 425 N 1.85 0.00 -0.23 1.53 0.00 -1.32 -2.64 119.26 118.46 3ias h ALA 425 Ca 0.02 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.95 3ias h ALA 425 Cb 0.21 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ias h ALA 425 CO -0.00 0.03 0.47 0.00 0.00 0.00 0.00 179.25 179.75 3ias h ARG 426 N -0.41 0.00 -0.11 0.00 3.08 0.30 -0.82 114.38 116.41 3ias h ARG 426 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ias h ARG 426 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3ias h ARG 426 CO 0.00 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.29 3ias n GLU 427 N -3.24 1.46 -3.84 0.04 1.02 -0.26 -4.99 120.64 110.82 3ias n GLU 427 Ca 0.03 -1.36 -0.30 0.00 -0.02 0.00 0.00 57.16 55.51 3ias n GLU 427 Cb 0.58 -1.14 -0.01 0.00 -0.02 0.00 0.00 31.44 30.85 3ias n GLU 427 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3ias n LYS 428 N 0.21 -3.45 -4.18 3.49 4.76 -0.32 -4.96 118.16 113.72 3ias n LYS 428 Ca 0.05 0.42 -0.35 0.00 -2.87 0.00 0.00 58.31 55.57 3ias n LYS 428 Cb 0.26 -5.16 -0.10 0.00 -1.84 0.00 0.00 35.03 28.19 3ias n LYS 428 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3ias s ARG 429 N -6.52 3.59 1.12 1.97 0.52 -1.02 -4.69 118.95 113.91 3ias s ARG 429 Ca 0.60 -0.38 -0.15 0.00 -0.52 0.00 0.00 55.73 55.28 3ias s ARG 429 Cb -0.32 -3.03 0.25 0.00 0.52 0.00 0.00 34.95 32.36 3ias s ARG 429 CO 0.74 0.43 1.08 -1.25 0.02 0.00 0.00 175.30 176.32 3ias s PRO 430 N -0.11 -0.52 0.53 3.54 0.04 -1.26 -3.51 135.00 133.71 3ias s PRO 430 Ca 0.05 0.34 -0.20 0.00 0.04 0.00 0.00 61.00 61.23 3ias s PRO 430 Cb -0.12 -1.64 -0.06 0.00 0.04 0.00 0.00 34.50 32.71 3ias s PRO 430 CO 0.02 -3.33 1.16 0.14 0.04 0.00 0.00 177.00 175.02 3ias s VAL 431 N -2.87 3.05 0.45 -0.36 -7.23 -1.12 -4.82 120.40 107.50 3ias s VAL 431 Ca 0.68 0.69 -0.24 0.00 -1.81 0.00 0.00 61.98 61.30 3ias s VAL 431 Cb -0.17 -3.30 -0.08 0.00 0.56 0.00 0.00 36.38 33.40 3ias s VAL 431 CO 0.58 -0.10 1.24 -2.16 -0.31 0.00 0.00 175.10 174.35 3ias s PRO 432 N -3.12 3.78 -0.71 4.82 0.04 -1.26 -5.00 135.00 133.55 3ias s PRO 432 Ca 0.71 1.99 0.04 0.00 0.04 0.00 0.00 61.00 63.78 3ias s PRO 432 Cb -0.26 -2.55 0.28 0.00 0.04 0.00 0.00 34.50 32.01 3ias s PRO 432 CO 0.30 -0.60 0.97 0.54 0.04 0.00 0.00 177.00 178.25 3ias n ARG 433 N -0.27 3.16 -0.89 4.56 5.12 -1.26 -4.71 116.66 122.38 3ias n ARG 433 Ca 0.06 -4.71 -0.31 0.00 -1.93 0.00 0.00 57.85 50.96 3ias n ARG 433 Cb 0.46 -2.30 0.14 0.00 -1.16 0.00 0.00 32.46 29.60 3ias n ARG 433 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3ias s PRO 434 N -2.88 1.37 -0.23 5.56 0.04 -1.26 -4.95 135.00 132.65 3ias s PRO 434 Ca 0.41 1.39 -0.26 0.00 0.04 0.00 0.00 61.00 62.58 3ias s PRO 434 Cb 0.17 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.93 3ias s PRO 434 CO -0.03 -2.33 0.92 0.45 0.04 0.00 0.00 177.00 176.04 3ias s SER 435 N -2.92 6.96 0.00 6.66 0.15 -1.26 -4.94 113.70 118.35 3ias s SER 435 Ca 0.65 1.19 0.03 0.00 0.70 0.00 0.00 55.95 58.52 3ias s SER 435 Cb -0.21 -2.48 0.02 0.00 -1.71 0.00 0.00 66.02 61.64 3ias s SER 435 CO 0.57 -0.57 0.56 0.18 1.20 0.00 0.00 173.24 175.18 3ias n LEU 436 N 6.09 1.16 -4.12 3.45 4.32 -1.26 -5.03 117.00 121.61 3ias n LEU 436 Ca 0.08 -0.96 -0.17 0.00 -0.02 0.00 0.00 56.01 54.94 3ias n LEU 436 Cb 0.47 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.15 3ias n LEU 436 CO 0.49 0.26 -0.44 -1.66 -1.22 0.00 0.00 177.39 174.82 3ias s TRP 437 N -0.31 1.02 -2.94 -1.77 1.48 -1.26 -5.18 118.94 109.97 3ias s TRP 437 Ca 0.03 -0.41 0.24 0.00 -1.06 0.00 0.00 56.10 54.91 3ias s TRP 437 Cb 0.02 -0.59 0.30 0.00 -1.16 0.00 0.00 33.47 32.04 3ias s TRP 437 CO 0.04 0.01 1.32 0.54 -4.06 0.00 0.00 176.95 174.80