#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 -0.08 0.00 3.41 0.00 -1.26 -5.12 105.19 102.14 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 -3.23 0.00 -4.68 1.61 -0.05 -1.26 -5.13 135.00 122.26 3ias n PRO 4 Ca 0.00 0.00 -0.24 0.00 -0.05 0.00 0.00 63.50 63.21 3ias n PRO 4 Cb 0.13 0.00 -0.16 0.00 -0.05 0.00 0.00 33.50 33.42 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 1.20 -0.16 0.52 1.01 -1.26 -5.04 121.20 117.48 3ias s ILE 5 Ca 0.00 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 59.76 3ias s ILE 5 Cb 0.00 -1.04 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 3ias s ILE 5 CO 0.00 0.35 1.10 -0.76 0.00 0.00 0.00 174.94 175.63 3ias s LEU 6 N 0.09 4.18 -0.30 2.97 1.43 -0.98 -4.93 118.68 121.13 3ias s LEU 6 Ca -0.03 1.54 0.19 0.00 -1.03 0.00 0.00 54.13 54.80 3ias s LEU 6 Cb -0.10 -3.55 0.47 0.00 0.03 0.00 0.00 46.19 43.04 3ias s LEU 6 CO 0.01 -0.62 1.22 -1.20 0.23 0.00 0.00 176.35 176.00 3ias n SER 7 N 5.87 0.53 0.00 2.29 7.64 -1.26 -1.43 113.62 127.26 3ias n SER 7 Ca 0.11 -2.20 0.00 0.00 1.01 0.00 0.00 58.87 57.79 3ias n SER 7 Cb 0.47 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 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 -0.77 -1.25 1.86 0.23 0.00 -1.26 -3.81 105.19 100.18 3ias n GLY 8 Ca 0.00 0.49 0.04 0.00 0.00 0.00 0.00 46.02 46.55 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 5.72 -4.44 0.99 7.94 -1.26 -4.56 117.00 121.40 3ias n LEU 9 Ca 0.00 -3.01 -0.34 0.00 -1.11 0.00 0.00 56.01 51.55 3ias n LEU 9 Cb 0.00 -0.69 0.11 0.00 0.53 0.00 0.00 43.42 43.37 3ias n LEU 9 CO 0.00 0.67 -0.02 -0.67 -1.11 0.00 0.00 177.39 176.26 3ias n ASP 10 N 0.38 -1.77 0.07 1.96 -0.08 -1.26 -4.93 116.55 110.91 3ias n ASP 10 Ca 0.30 0.39 0.11 0.00 -1.51 0.00 0.00 54.79 54.09 3ias n ASP 10 Cb 1.23 -1.22 0.02 0.00 2.34 0.00 0.00 41.12 43.48 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 -1.57 0.48 -0.23 -0.67 -0.04 -1.26 -3.63 135.00 128.08 3ias n PRO 11 Ca 0.08 0.05 0.06 0.00 -0.04 0.00 0.00 63.50 63.65 3ias n PRO 11 Cb 0.53 -1.72 0.18 0.00 -0.04 0.00 0.00 33.50 32.45 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 -2.37 2.05 -2.68 0.54 1.85 -1.26 -4.84 116.66 109.94 3ias n ARG 12 Ca 0.01 -1.44 -0.42 0.00 -1.00 0.00 0.00 57.85 54.99 3ias n ARG 12 Cb 0.51 -1.38 -0.03 0.00 -1.05 0.00 0.00 32.46 30.51 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 3.53 -0.22 2.89 5.36 -1.24 -5.03 117.98 121.74 3ias s PHE 13 Ca 0.27 1.60 -0.04 0.00 -0.96 0.00 0.00 56.93 57.80 3ias s PHE 13 Cb 0.15 -3.19 -0.01 0.00 -0.34 0.00 0.00 43.02 39.63 3ias s PHE 13 CO 0.17 -0.24 -0.05 -1.21 -1.46 0.00 0.00 175.22 172.43 3ias s GLU 14 N 1.84 3.37 0.29 10.12 2.02 -1.26 -5.02 118.70 130.06 3ias s GLU 14 Ca 0.49 -0.63 -0.29 0.00 0.02 0.00 0.00 54.97 54.56 3ias s GLU 14 Cb -0.19 -2.98 -0.10 0.00 0.10 0.00 0.00 34.13 30.95 3ias s GLU 14 CO 0.20 -0.18 1.37 1.03 0.02 0.00 0.00 175.26 177.70 3ias s ARG 15 N 1.42 4.31 0.06 1.61 1.81 -1.26 -4.94 118.95 121.97 3ias s ARG 15 Ca 0.05 2.25 0.00 0.00 -1.72 0.00 0.00 55.73 56.31 3ias s ARG 15 Cb -0.14 -3.09 0.00 0.00 -0.45 0.00 0.00 34.95 31.27 3ias s ARG 15 CO -0.03 -0.30 0.00 2.41 -0.68 0.00 0.00 175.30 176.70 3ias n THR 16 N 1.54 0.49 0.27 0.02 -1.04 -1.26 -4.77 114.28 109.53 3ias n THR 16 Ca 0.03 0.16 -0.14 0.00 -2.04 0.00 0.00 64.05 62.06 3ias n THR 16 Cb 0.41 -1.12 -0.07 0.00 -1.82 0.00 0.00 70.33 67.73 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 -0.60 -1.74 -4.42 3.38 -1.94 -3.12 115.31 106.86 3ias h LEU 17 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3ias h LEU 17 Cb 0.00 0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ias h LEU 17 CO 0.00 -0.24 0.00 -1.22 0.09 0.00 0.00 178.44 177.07 3ias n TYR 18 N -5.29 0.71 -0.18 1.13 4.02 -1.26 -4.46 117.16 111.83 3ias n TYR 18 Ca -0.11 -0.27 -0.01 0.00 -0.01 0.00 0.00 57.90 57.51 3ias n TYR 18 Cb 0.32 -0.18 0.08 0.00 -0.02 0.00 0.00 39.34 39.54 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 3.09 0.54 -0.02 -0.72 0.00 -1.84 -2.35 119.26 117.96 3ias h ALA 19 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ias h ALA 19 Cb 0.87 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3ias h ALA 19 CO 0.13 -0.38 -0.16 0.72 0.00 0.00 0.00 179.25 179.56 3ias n HIS 20 N -5.25 0.00 -1.91 0.00 8.25 -1.26 -4.96 115.22 110.09 3ias n HIS 20 Ca 0.07 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.11 3ias n HIS 20 Cb 0.31 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 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 -2.17 2.49 0.00 1.59 1.01 -0.89 -1.75 120.40 120.68 3ias s VAL 21 Ca 0.26 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.61 3ias s VAL 21 Cb 0.19 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3ias s VAL 21 CO 0.40 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.15 3ias n GLY 22 N 3.12 0.91 3.71 4.51 0.00 -1.26 -5.04 105.19 111.14 3ias n GLY 22 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.42 4.37 -0.20 1.61 -0.14 -0.72 -4.98 119.74 119.26 3ias s LYS 23 Ca 0.00 0.73 -0.39 0.00 -1.36 0.00 0.00 55.97 54.95 3ias s LYS 23 Cb 0.00 -3.47 -0.15 0.00 -1.68 0.00 0.00 37.83 32.52 3ias s LYS 23 CO 0.00 0.02 1.69 -1.91 -0.76 0.00 0.00 175.35 174.39 3ias n GLU 24 N 4.04 1.25 -2.34 1.68 2.13 -1.26 -1.81 120.64 124.33 3ias n GLU 24 Ca -0.02 0.46 -0.08 0.00 0.66 0.00 0.00 57.16 58.18 3ias n GLU 24 Cb 0.51 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 30.08 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 3.93 0.17 0.00 8.31 0.00 -1.26 -4.95 105.19 111.39 3ias n GLY 25 Ca 0.25 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 0.44 0.00 -0.01 1.61 3.41 -0.75 -3.44 113.62 114.88 3ias n SER 26 Ca -0.06 0.15 0.10 0.00 -0.26 0.00 0.00 58.87 58.80 3ias n SER 26 Cb 0.55 -0.37 -0.15 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.37 0.00 -1.58 7.33 2.14 -1.07 -4.55 117.44 118.34 3ias n TRP 27 Ca 0.10 0.00 -0.40 0.00 2.07 0.00 0.00 57.50 59.26 3ias n TRP 27 Cb 0.23 -0.31 0.02 0.00 -0.81 0.00 0.00 31.31 30.44 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 -1.97 2.58 0.09 -1.67 -1.04 -1.22 -4.75 114.28 106.30 3ias n THR 28 Ca -0.01 -0.50 0.04 0.00 -2.04 0.00 0.00 64.05 61.54 3ias n THR 28 Cb 0.47 -1.04 0.44 0.00 -1.82 0.00 0.00 70.33 68.38 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 1.14 0.31 -0.41 -4.42 6.46 -1.93 -2.21 115.31 114.24 3ias h LEU 29 Ca -0.45 -0.03 -0.18 0.00 -0.12 0.00 0.00 57.88 57.10 3ias h LEU 29 Cb 1.35 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 41.20 3ias h LEU 29 CO 0.54 0.32 -0.60 0.44 -0.62 0.00 0.00 178.44 178.52 3ias h ASP 30 N 0.34 0.71 0.49 1.25 5.19 -1.96 -1.80 116.42 120.65 3ias h ASP 30 Ca 0.08 -0.40 -0.03 0.00 -0.62 0.00 0.00 57.03 56.06 3ias h ASP 30 Cb 0.14 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 39.43 3ias h ASP 30 CO -0.00 1.15 -0.17 0.22 -3.12 0.00 0.00 179.24 177.32 3ias h TYR 31 N 0.47 0.00 0.20 4.55 3.20 -1.68 0.17 116.97 123.88 3ias h TYR 31 Ca -0.00 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.55 3ias h TYR 31 Cb 1.17 0.00 0.02 0.00 1.54 0.00 0.00 36.73 39.46 3ias h TYR 31 CO 0.06 0.17 -1.47 -0.92 -1.64 0.00 0.00 178.16 174.35 3ias h TYR 32 N 0.00 0.76 0.08 -3.82 3.20 -1.11 -3.27 116.97 112.81 3ias h TYR 32 Ca -0.00 -0.56 -0.25 0.00 3.14 0.00 0.00 58.73 61.06 3ias h TYR 32 Cb 0.46 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 3ias h TYR 32 CO 0.00 1.49 -1.14 -0.07 -1.64 0.00 0.00 178.16 176.80 3ias h LEU 33 N 0.11 0.33 -0.33 2.82 3.38 -1.02 -1.48 115.31 119.13 3ias h LEU 33 Ca -0.24 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.39 3ias h LEU 33 Cb 2.10 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.74 3ias h LEU 33 CO 0.23 1.24 0.00 0.54 0.09 0.00 0.00 178.44 180.54 3ias n ARG 34 N -3.53 0.05 -0.46 1.13 1.74 0.57 -1.64 116.66 114.53 3ias n ARG 34 Ca -0.06 0.44 0.07 0.00 -0.77 0.00 0.00 57.85 57.53 3ias n ARG 34 Cb 0.97 -1.63 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 -1.72 0.00 -1.35 -1.55 8.25 -1.06 -4.95 115.22 112.84 3ias n HIS 35 Ca 0.01 -1.36 0.00 0.00 -0.26 0.00 0.00 57.72 56.11 3ias n HIS 35 Cb 0.09 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 30.97 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 -1.20 0.65 0.00 -1.41 0.00 -0.65 -5.04 105.19 97.54 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 -0.91 -2.66 0.46 -0.02 0.00 -0.58 -4.20 105.19 97.28 3ias n GLY 37 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 0.27 1.61 4.02 -1.26 -3.77 117.16 118.03 3ias n TYR 38 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.02 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 0.60 0.00 0.24 -0.72 4.57 -1.97 -1.34 114.58 115.96 3ias h GLU 39 Ca 0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.85 3ias h GLU 39 Cb 0.16 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 28.78 3ias h GLU 39 CO 0.00 0.10 -1.46 1.15 -1.18 0.00 0.00 179.01 177.62 3ias h THR 40 N 0.00 1.25 -0.64 0.32 2.02 -1.84 -2.87 112.91 111.16 3ias h THR 40 Ca -0.00 -2.65 0.07 0.00 0.77 0.00 0.00 66.41 64.59 3ias h THR 40 Cb 0.30 3.02 -0.06 0.00 -1.74 0.00 0.00 68.15 69.67 3ias h THR 40 CO 0.01 0.81 0.32 0.00 0.37 0.00 0.00 175.52 177.03 3ias h ALA 41 N 0.13 0.85 0.45 6.16 0.00 -1.73 -2.67 119.26 122.45 3ias h ALA 41 Ca -0.26 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3ias h ALA 41 Cb 2.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.81 3ias h ALA 41 CO 0.25 -0.03 -0.42 -0.22 0.00 0.00 0.00 179.25 178.82 3ias h LYS 42 N 0.59 -0.84 -0.57 0.00 3.64 -1.29 -2.31 116.57 115.80 3ias h LYS 42 Ca 0.30 0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.83 3ias h LYS 42 Cb 0.24 0.19 -0.11 0.00 -0.41 0.00 0.00 32.23 32.14 3ias h LYS 42 CO -0.21 -0.56 -0.39 0.00 -2.27 0.00 0.00 179.45 176.02 3ias h ARG 43 N -0.87 -0.20 -0.40 1.90 3.08 -1.37 -2.16 114.38 114.36 3ias h ARG 43 Ca -0.06 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.03 3ias h ARG 43 Cb 0.74 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.81 3ias h ARG 43 CO -0.04 -0.13 0.23 0.28 -1.07 0.00 0.00 179.97 179.24 3ias h VAL 44 N -0.21 1.03 -0.56 2.04 2.07 -1.39 0.92 116.25 120.15 3ias h VAL 44 Ca 0.20 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 3ias h VAL 44 Cb 0.56 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3ias h VAL 44 CO -0.68 0.08 0.33 -0.07 0.02 0.00 0.00 177.57 177.25 3ias h LEU 45 N 0.46 0.68 -0.11 2.57 3.38 -0.98 -2.98 115.31 118.33 3ias h LEU 45 Ca 0.16 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.85 3ias h LEU 45 Cb 0.02 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.61 3ias h LEU 45 CO -0.08 0.55 -0.76 0.11 0.09 0.00 0.00 178.44 178.35 3ias h LYS 46 N 0.75 0.72 0.00 1.13 1.57 -0.87 -3.43 116.57 116.44 3ias h LYS 46 Ca 0.20 -0.62 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3ias h LYS 46 Cb 0.01 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3ias h LYS 46 CO -0.04 1.23 0.00 0.39 -0.57 0.00 0.00 179.45 180.46 3ias n GLU 47 N -3.99 0.00 -1.62 3.15 1.02 0.27 -5.00 120.64 114.47 3ias n GLU 47 Ca -0.08 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.66 3ias n GLU 47 Cb 0.74 -0.09 0.03 0.00 -0.02 0.00 0.00 31.44 32.10 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 -0.82 1.24 -2.12 3.49 4.01 -1.13 -5.01 118.16 117.82 3ias n LYS 48 Ca 0.00 0.45 -0.28 0.00 -0.51 0.00 0.00 58.31 57.98 3ias n LYS 48 Cb 0.00 -2.12 0.06 0.00 -0.51 0.00 0.00 35.03 32.46 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 -1.37 2.85 0.10 -0.18 -4.23 -1.26 -4.62 115.64 106.93 3ias s THR 49 Ca 0.68 0.03 -0.33 0.00 -1.18 0.00 0.00 61.69 60.88 3ias s THR 49 Cb -0.49 -3.23 -0.13 0.00 1.34 0.00 0.00 72.50 69.99 3ias s THR 49 CO 0.53 -0.26 1.58 -0.65 -0.54 0.00 0.00 174.62 175.28 3ias h PRO 50 N -0.60 -0.75 -0.98 3.99 0.11 -1.90 -2.35 132.00 129.52 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 1.29 0.17 -0.09 0.00 0.11 0.00 0.00 31.00 32.48 3ias h PRO 50 CO 0.62 -0.50 0.61 -0.44 -0.21 0.00 0.00 178.00 178.08 3ias h ASP 51 N -0.78 0.76 -0.95 -2.05 3.32 -1.91 -1.49 116.42 113.31 3ias h ASP 51 Ca -0.01 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.12 3ias h ASP 51 Cb 0.75 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.18 3ias h ASP 51 CO -0.18 0.32 0.62 -0.33 -1.72 0.00 0.00 179.24 177.95 3ias h GLU 52 N 0.77 1.25 0.00 3.56 5.08 -1.81 -1.54 114.58 121.89 3ias h GLU 52 Ca 0.53 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.72 3ias h GLU 52 Cb 0.82 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3ias h GLU 52 CO -0.30 0.84 -0.44 -0.24 -1.00 0.00 0.00 179.01 177.87 3ias h VAL 53 N 1.29 1.11 0.44 3.13 3.04 -0.90 -2.08 116.25 122.28 3ias h VAL 53 Ca 0.35 -1.60 -0.02 0.00 -1.01 0.00 0.00 66.70 64.41 3ias h VAL 53 Cb -0.13 1.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.06 3ias h VAL 53 CO -0.07 0.43 -0.21 0.40 -1.01 0.00 0.00 177.57 177.10 3ias h ILE 54 N 0.00 0.55 -0.66 3.17 2.04 -1.14 -2.73 117.51 118.75 3ias h ILE 54 Ca -0.00 -0.27 0.13 0.00 1.00 0.00 0.00 64.86 65.72 3ias h ILE 54 Cb 0.88 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 3ias h ILE 54 CO 0.06 0.05 0.45 -0.33 0.00 0.00 0.00 178.15 178.37 3ias h GLU 55 N -0.75 0.33 0.00 2.37 4.39 -1.05 0.52 114.58 120.39 3ias h GLU 55 Ca -0.06 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 3ias h GLU 55 Cb 0.53 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 3ias h GLU 55 CO 0.10 0.22 -0.47 1.49 -1.16 0.00 0.00 179.01 179.18 3ias h GLU 56 N 0.34 0.00 0.04 2.33 4.57 -1.27 0.35 114.58 120.94 3ias h GLU 56 Ca 0.32 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 58.20 3ias h GLU 56 Cb 0.77 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.33 3ias h GLU 56 CO -0.08 0.47 -1.65 0.28 -1.18 0.00 0.00 179.01 176.85 3ias h VAL 57 N 0.00 0.96 0.00 0.32 2.07 0.09 -1.89 116.25 117.79 3ias h VAL 57 Ca -0.00 -2.74 -0.06 0.00 0.82 0.00 0.00 66.70 64.72 3ias h VAL 57 Cb 0.88 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 33.19 3ias h VAL 57 CO 0.06 0.67 -0.27 0.50 0.02 0.00 0.00 177.57 178.55 3ias h LYS 58 N 0.02 0.00 0.01 1.57 3.64 -0.13 -2.55 116.57 119.14 3ias h LYS 58 Ca -0.27 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 58.88 3ias h LYS 58 Cb 1.99 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.78 3ias h LYS 58 CO 0.10 0.27 -1.14 -0.09 -2.27 0.00 0.00 179.45 176.31 3ias h ARG 59 N 0.00 0.02 -0.24 1.90 2.43 -0.92 -3.32 114.38 114.25 3ias h ARG 59 Ca -0.00 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 3ias h ARG 59 Cb 0.58 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 3ias h ARG 59 CO 0.03 0.93 -0.28 0.66 -1.51 0.00 0.00 179.97 179.81 3ias h SER 60 N 0.01 0.48 0.00 -3.80 4.64 -0.90 -3.47 113.55 110.51 3ias h SER 60 Ca -0.07 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3ias h SER 60 Cb 1.83 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 3ias h SER 60 CO 0.13 0.75 0.00 0.61 -0.87 0.00 0.00 176.83 177.45 3ias n GLY 61 N -0.32 1.01 3.71 -0.77 0.00 -1.19 -4.28 105.19 103.36 3ias n GLY 61 Ca -0.01 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 4.38 -0.05 0.99 2.96 -1.25 -4.08 118.68 121.62 3ias s LEU 62 Ca 0.00 1.94 0.05 0.00 -0.22 0.00 0.00 54.13 55.91 3ias s LEU 62 Cb 0.00 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 3ias s LEU 62 CO 0.00 -0.41 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.29 3ias s ARG 63 N 0.96 2.49 -0.48 1.98 0.52 -1.26 -0.90 118.95 122.26 3ias s ARG 63 Ca 0.57 -0.81 -0.44 0.00 -0.52 0.00 0.00 55.73 54.52 3ias s ARG 63 Cb -0.28 -2.25 -0.19 0.00 0.52 0.00 0.00 34.95 32.75 3ias s ARG 63 CO 0.29 0.51 1.90 0.41 0.02 0.00 0.00 175.30 178.43 3ias n GLY 64 N 2.61 0.09 0.58 -3.53 0.00 0.65 -4.81 105.19 100.78 3ias n GLY 64 Ca -0.17 1.05 0.04 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 6.00 1.75 0.00 1.61 5.12 -1.26 -2.66 116.66 127.23 3ias n ARG 65 Ca 0.43 -0.95 0.13 0.00 -1.93 0.00 0.00 57.85 55.53 3ias n ARG 65 Cb -0.02 -1.32 0.78 0.00 -1.16 0.00 0.00 32.46 30.74 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 -0.92 0.00 -0.13 0.00 -1.26 -4.84 105.19 98.80 3ias n GLY 66 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.79 2.59 0.00 -0.02 0.00 -1.23 -4.83 105.19 102.50 3ias n GLY 67 Ca 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.41 1.56 3.76 0.00 0.00 -1.09 -5.00 105.19 104.03 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 3.82 -0.42 1.61 2.19 -1.26 -4.52 117.98 117.40 3ias s PHE 70 Ca 0.00 1.55 -0.30 0.00 0.33 0.00 0.00 56.93 58.51 3ias s PHE 70 Cb 0.00 -2.79 -0.09 0.00 -1.31 0.00 0.00 43.02 38.83 3ias s PHE 70 CO 0.00 0.40 2.32 -2.30 1.83 0.00 0.00 175.22 177.47 3ias n PRO 71 N 2.18 1.19 0.19 10.12 -0.02 -1.26 -0.25 135.00 147.15 3ias n PRO 71 Ca -0.04 0.24 0.05 0.00 -2.02 0.00 0.00 63.50 61.72 3ias n PRO 71 Cb 0.49 -2.87 0.36 0.00 -0.02 0.00 0.00 33.50 31.47 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 7.39 1.03 0.23 3.45 1.35 -1.36 -1.15 112.91 123.85 3ias h THR 72 Ca -0.28 -1.43 -0.01 0.00 -0.55 0.00 0.00 66.41 64.15 3ias h THR 72 Cb 1.28 1.83 -0.00 0.00 -1.73 0.00 0.00 68.15 69.53 3ias h THR 72 CO 1.08 0.37 -0.13 1.23 -0.25 0.00 0.00 175.52 177.82 3ias h GLY 73 N 1.63 -0.36 0.86 5.82 0.00 -1.74 -2.07 103.07 107.22 3ias h GLY 73 Ca -0.00 0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.53 3ias h GLY 73 CO 0.05 -0.14 0.62 -2.00 0.00 0.00 0.00 176.54 175.07 3ias h LEU 74 N -0.35 0.98 -0.44 3.11 5.85 -1.79 -2.32 115.31 120.35 3ias h LEU 74 Ca -0.03 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.72 3ias h LEU 74 Cb 0.28 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3ias h LEU 74 CO 0.03 0.65 0.26 0.50 -0.34 0.00 0.00 178.44 179.54 3ias h LYS 75 N 1.12 0.50 0.00 1.25 3.64 -0.80 -0.68 116.57 121.61 3ias h LYS 75 Ca 0.40 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.69 3ias h LYS 75 Cb 0.12 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3ias h LYS 75 CO -0.14 0.33 -0.26 -1.49 -2.27 0.00 0.00 179.45 175.62 3ias h TRP 76 N 0.51 0.00 0.00 1.91 6.55 -1.10 -2.82 115.95 121.00 3ias h TRP 76 Ca 0.18 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.02 3ias h TRP 76 Cb 0.03 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.33 3ias h TRP 76 CO -0.07 0.26 0.00 -1.13 -1.05 0.00 0.00 178.44 176.44 3ias n SER 77 N -3.65 0.40 0.07 -3.49 3.41 -0.27 -1.93 113.62 108.16 3ias n SER 77 Ca -0.01 0.64 0.05 0.00 -0.26 0.00 0.00 58.87 59.29 3ias n SER 77 Cb 0.38 -0.71 -0.04 0.00 -0.26 0.00 0.00 64.21 63.59 3ias n SER 77 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3ias h PHE 78 N 0.00 0.00 -3.15 7.33 0.04 -1.46 -3.47 116.94 116.22 3ias h PHE 78 Ca 0.00 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.19 3ias h PHE 78 Cb 0.15 0.00 0.12 0.00 2.20 0.00 0.00 35.95 38.42 3ias h PHE 78 CO 0.00 0.35 0.36 -1.33 -0.60 0.00 0.00 178.31 177.09 3ias n MET 79 N -2.85 1.79 -1.67 1.51 2.81 -0.81 -4.87 117.12 113.02 3ias n MET 79 Ca -0.05 0.63 -0.43 0.00 -1.81 0.00 0.00 57.70 56.04 3ias n MET 79 Cb 0.72 -2.19 -0.01 0.00 -0.71 0.00 0.00 33.22 31.03 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 0.40 1.89 0.00 0.03 -0.02 -1.26 -4.99 135.00 131.05 3ias n PRO 80 Ca 0.07 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3ias n PRO 80 Cb 0.37 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.55 0.00 -3.80 -0.52 4.76 -1.26 -4.79 118.16 113.11 3ias n LYS 81 Ca 0.06 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.20 3ias n LYS 81 Cb 0.35 -0.24 -0.15 0.00 -1.84 0.00 0.00 35.03 33.15 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 -1.96 3.90 0.00 4.39 1.01 -1.26 -4.93 116.67 117.83 3ias s ASP 82 Ca 0.00 -1.49 0.00 0.00 0.71 0.00 0.00 52.55 51.77 3ias s ASP 82 Cb 0.00 -0.95 0.00 0.00 1.01 0.00 0.00 42.92 42.98 3ias s ASP 82 CO 0.00 -0.36 0.00 -0.90 0.21 0.00 0.00 175.17 174.12 3ias n ASP 83 N 4.79 1.37 0.00 0.27 5.75 -1.26 -5.03 116.55 122.44 3ias n ASP 83 Ca -0.04 -0.16 0.00 0.00 -0.01 0.00 0.00 54.79 54.58 3ias n ASP 83 Cb 0.43 0.60 0.00 0.00 -1.03 0.00 0.00 41.12 41.12 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 1.01 1.44 3.80 6.12 0.00 -1.26 -5.03 105.19 111.27 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 -0.30 3.53 0.16 1.61 1.02 -1.26 -4.98 119.74 119.52 3ias s LYS 85 Ca 0.00 1.34 -0.32 0.00 0.02 0.00 0.00 55.97 57.01 3ias s LYS 85 Cb 0.00 -2.05 -0.10 0.00 -0.52 0.00 0.00 37.83 35.15 3ias s LYS 85 CO 0.00 -0.66 1.60 -1.14 -0.92 0.00 0.00 175.35 174.23 3ias s GLN 86 N -3.59 4.20 0.01 1.68 2.00 -1.26 -4.99 119.66 117.71 3ias s GLN 86 Ca 0.67 2.40 0.01 0.00 -2.00 0.00 0.00 55.36 56.44 3ias s GLN 86 Cb -0.17 -3.19 -0.04 0.00 0.80 0.00 0.00 33.01 30.41 3ias s GLN 86 CO 0.28 -0.64 0.03 -1.01 -0.50 0.00 0.00 175.29 173.45 3ias s HIS 87 N 1.30 3.14 0.03 1.67 3.76 -1.26 -4.06 115.29 119.87 3ias s HIS 87 Ca 0.71 0.11 0.09 0.00 -0.15 0.00 0.00 55.06 55.82 3ias s HIS 87 Cb -0.44 -1.68 -0.03 0.00 1.11 0.00 0.00 32.58 31.54 3ias s HIS 87 CO 0.31 0.50 -0.26 0.71 -0.85 0.00 0.00 174.74 175.15 3ias s TYR 88 N -1.16 2.34 -0.01 1.40 1.51 -1.08 -3.46 117.35 116.88 3ias s TYR 88 Ca 0.22 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.91 3ias s TYR 88 Cb -0.12 -1.43 -0.03 0.00 -0.11 0.00 0.00 41.96 40.28 3ias s TYR 88 CO 0.13 0.09 -0.13 -1.17 -1.11 0.00 0.00 175.55 173.36 3ias s LEU 89 N -1.07 2.85 -0.04 -1.29 2.96 -0.95 -1.93 118.68 119.21 3ias s LEU 89 Ca 0.11 -0.23 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 3ias s LEU 89 Cb -0.10 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 44.97 3ias s LEU 89 CO 0.01 0.31 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.63 3ias s ILE 90 N -0.86 0.80 -0.30 6.68 1.01 -0.74 -1.32 121.20 126.46 3ias s ILE 90 Ca 0.14 -0.32 -0.12 0.00 0.00 0.00 0.00 60.65 60.34 3ias s ILE 90 Cb -0.11 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 3ias s ILE 90 CO 0.04 0.26 0.24 0.00 0.00 0.00 0.00 174.94 175.48 3ias n ASN 92 N 5.13 4.48 -1.72 0.00 5.15 -0.58 -1.61 115.26 126.10 3ias n ASN 92 Ca -0.13 -2.83 -0.14 0.00 -0.60 0.00 0.00 54.58 50.88 3ias n ASN 92 Cb 0.51 -1.64 0.09 0.00 -0.53 0.00 0.00 39.78 38.21 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 5.68 4.40 -1.70 5.20 0.00 -0.32 -4.09 120.51 129.67 3ias n ALA 93 Ca 0.54 -1.63 -0.32 0.00 0.00 0.00 0.00 53.44 52.03 3ias n ALA 93 Cb 0.37 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.28 6.96 -4.60 0.00 2.03 -0.74 -2.13 116.55 117.78 3ias n ASP 94 Ca 0.33 -3.29 -0.43 0.00 0.52 0.00 0.00 54.79 51.91 3ias n ASP 94 Cb 1.03 -1.24 -0.02 0.00 -0.72 0.00 0.00 41.12 40.17 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 -2.02 3.43 0.00 -0.67 2.12 -1.26 -4.68 118.70 115.62 3ias s GLU 95 Ca 0.56 1.24 0.00 0.00 0.36 0.00 0.00 54.97 57.13 3ias s GLU 95 Cb 0.34 -4.13 0.00 0.00 0.26 0.00 0.00 34.13 30.60 3ias s GLU 95 CO -0.22 -1.74 0.59 0.43 -0.54 0.00 0.00 175.26 173.79 3ias n SER 96 N 9.70 0.00 -4.57 -1.70 7.64 -1.26 -4.92 113.62 118.52 3ias n SER 96 Ca 0.20 -1.35 -0.41 0.00 1.01 0.00 0.00 58.87 58.33 3ias n SER 96 Cb 0.47 -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 3.70 0.09 1.43 2.12 -1.26 -4.88 118.70 119.90 3ias s GLU 97 Ca 0.00 -0.13 -0.36 0.00 0.36 0.00 0.00 54.97 54.84 3ias s GLU 97 Cb 0.00 -3.78 -0.18 0.00 0.26 0.00 0.00 34.13 30.44 3ias s GLU 97 CO 0.00 -0.55 1.12 -2.30 -0.54 0.00 0.00 175.26 172.99 3ias n PRO 98 N 5.61 0.65 -0.34 4.30 -0.02 -1.26 -1.39 135.00 142.55 3ias n PRO 98 Ca -0.06 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3ias n PRO 98 Cb 0.49 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 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 1.99 1.11 3.29 -1.23 0.00 -1.26 -3.16 105.19 105.93 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 -3.04 4.17 0.00 1.61 0.15 -0.49 -4.48 113.70 111.62 3ias s SER 100 Ca 0.00 -0.41 0.08 0.00 0.70 0.00 0.00 55.95 56.32 3ias s SER 100 Cb 0.00 -1.71 0.13 0.00 -1.71 0.00 0.00 66.02 62.74 3ias s SER 100 CO 0.00 -0.01 0.99 2.22 1.20 0.00 0.00 173.24 177.64 3ias n PHE 101 N 4.71 0.00 -0.01 3.44 -1.74 -1.26 -4.64 117.46 117.96 3ias n PHE 101 Ca -0.18 -0.20 -0.12 0.00 -0.56 0.00 0.00 57.45 56.39 3ias n PHE 101 Cb 0.51 0.01 -0.07 0.00 1.52 0.00 0.00 39.48 41.44 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 0.31 0.10 0.00 3.97 2.10 -1.92 -3.19 116.57 117.94 3ias h LYS 102 Ca -0.12 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.50 3ias h LYS 102 Cb 1.50 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.82 3ias h LYS 102 CO 0.01 0.30 -0.04 -0.44 -2.00 0.00 0.00 179.45 177.27 3ias h ASP 103 N -0.11 0.00 0.29 7.07 3.32 -1.98 -3.16 116.42 121.84 3ias h ASP 103 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3ias h ASP 103 Cb 0.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3ias h ASP 103 CO 0.00 0.04 -0.28 -0.09 -1.72 0.00 0.00 179.24 177.19 3ias h ARG 104 N 0.00 -0.57 0.00 3.56 2.43 -1.95 -2.77 114.38 115.09 3ias h ARG 104 Ca -0.00 0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 3ias h ARG 104 Cb 0.12 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3ias h ARG 104 CO 0.00 -0.38 -0.45 1.88 -1.51 0.00 0.00 179.97 179.52 3ias h TYR 105 N -0.59 0.00 -0.25 2.20 0.05 -1.73 -0.15 116.97 116.50 3ias h TYR 105 Ca -0.01 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.71 3ias h TYR 105 Cb 0.54 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 3ias h TYR 105 CO -0.17 0.45 -0.08 0.82 -1.05 0.00 0.00 178.16 178.12 3ias h ILE 106 N 0.00 1.20 0.01 -2.88 2.04 -1.63 -0.47 117.51 115.78 3ias h ILE 106 Ca -0.00 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 3ias h ILE 106 Cb 0.96 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3ias h ILE 106 CO 0.06 0.28 -0.01 -0.07 0.00 0.00 0.00 178.15 178.41 3ias h LEU 107 N 0.38 -0.02 -1.68 1.44 3.38 -1.11 -2.78 115.31 114.93 3ias h LEU 107 Ca 0.08 -0.77 0.04 0.00 0.09 0.00 0.00 57.88 57.32 3ias h LEU 107 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3ias h LEU 107 CO 0.02 0.81 0.29 -0.33 0.09 0.00 0.00 178.44 179.32 3ias h GLU 108 N -0.89 0.40 0.00 1.13 5.08 -0.92 -3.31 114.58 116.07 3ias h GLU 108 Ca -0.00 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3ias h GLU 108 Cb 0.79 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 3ias h GLU 108 CO 0.00 0.26 -1.17 -0.25 -1.00 0.00 0.00 179.01 176.86 3ias n ASP 109 N -4.48 4.33 -2.59 1.42 8.00 -0.20 -4.83 116.55 118.20 3ias n ASP 109 Ca 0.05 -0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.41 3ias n ASP 109 Cb 0.19 0.48 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 -2.15 1.51 -0.32 2.53 0.24 -1.06 -2.61 118.33 116.48 3ias n VAL 110 Ca -0.04 -3.63 0.08 0.00 -2.04 0.00 0.00 64.34 58.70 3ias n VAL 110 Cb 0.58 0.09 0.24 0.00 -1.47 0.00 0.00 33.84 33.28 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 2.78 0.74 -0.35 7.34 0.11 -1.63 0.73 132.00 141.73 3ias h PRO 111 Ca 0.04 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 66.18 3ias h PRO 111 Cb 1.14 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3ias h PRO 111 CO 0.57 0.49 0.24 0.45 -0.21 0.00 0.00 178.00 179.55 3ias h HIS 112 N 0.76 0.12 -0.59 0.65 3.86 -1.89 0.59 115.15 118.65 3ias h HIS 112 Ca 0.49 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.71 3ias h HIS 112 Cb 0.62 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 29.02 3ias h HIS 112 CO -0.05 0.06 0.39 1.25 0.86 0.00 0.00 177.93 180.44 3ias h LEU 113 N 0.12 0.66 0.23 2.43 5.85 -1.21 0.44 115.31 123.84 3ias h LEU 113 Ca 0.16 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3ias h LEU 113 Cb 0.49 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3ias h LEU 113 CO -0.02 0.48 -0.11 0.25 -0.34 0.00 0.00 178.44 178.70 3ias h LEU 114 N 0.79 -0.26 -0.55 2.25 6.46 0.06 -1.77 115.31 122.28 3ias h LEU 114 Ca 0.22 -0.09 0.10 0.00 -0.12 0.00 0.00 57.88 57.99 3ias h LEU 114 Cb -0.08 0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 39.84 3ias h LEU 114 CO -0.05 -0.07 0.11 0.40 -0.62 0.00 0.00 178.44 178.20 3ias h ILE 115 N -0.44 0.67 -0.71 4.05 2.04 -0.51 0.13 117.51 122.73 3ias h ILE 115 Ca -0.03 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.77 3ias h ILE 115 Cb 0.33 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 3ias h ILE 115 CO 0.05 0.04 0.47 -0.08 0.00 0.00 0.00 178.15 178.64 3ias h GLU 116 N 0.24 0.90 -0.09 2.37 4.81 -0.76 -0.43 114.58 121.61 3ias h GLU 116 Ca 0.29 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3ias h GLU 116 Cb 0.41 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 3ias h GLU 116 CO -0.38 0.59 0.02 0.78 -0.73 0.00 0.00 179.01 179.29 3ias h GLY 117 N 0.92 0.15 1.68 1.92 0.00 0.11 -2.00 103.07 105.85 3ias h GLY 117 Ca 0.27 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.45 3ias h GLY 117 CO -0.07 0.09 -0.09 -0.33 0.00 0.00 0.00 176.54 176.14 3ias h MET 118 N -0.08 0.40 0.33 4.80 2.86 -0.50 0.23 114.93 122.98 3ias h MET 118 Ca 0.03 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3ias h MET 118 Cb 0.26 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3ias h MET 118 CO 0.00 0.50 -0.21 0.82 1.06 0.00 0.00 176.91 179.08 3ias h ILE 119 N 0.38 0.56 0.24 -1.22 2.04 -0.86 1.71 117.51 120.36 3ias h ILE 119 Ca 0.08 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.94 3ias h ILE 119 Cb 0.40 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 3ias h ILE 119 CO 0.02 0.00 -0.44 -0.07 0.00 0.00 0.00 178.15 177.66 3ias h LEU 120 N -0.52 -1.28 -1.49 1.44 3.38 -0.86 0.23 115.31 116.21 3ias h LEU 120 Ca -0.03 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.12 3ias h LEU 120 Cb 0.43 0.46 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 3ias h LEU 120 CO 0.03 -0.54 0.41 0.00 0.09 0.00 0.00 178.44 178.44 3ias h ALA 121 N -0.38 1.77 0.58 1.53 0.00 -0.35 0.15 119.26 122.55 3ias h ALA 121 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3ias h ALA 121 Cb 0.73 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.36 3ias h ALA 121 CO -0.19 0.14 -0.28 0.78 0.00 0.00 0.00 179.25 179.70 3ias h GLY 122 N 0.64 -0.81 0.20 0.00 0.00 0.31 -2.30 103.07 101.10 3ias h GLY 122 Ca 0.27 0.30 0.16 0.00 0.00 0.00 0.00 47.33 48.05 3ias h GLY 122 CO -0.08 -0.29 0.47 -1.82 0.00 0.00 0.00 176.54 174.82 3ias h TYR 123 N -0.96 0.83 -0.76 5.60 3.20 -0.52 0.00 116.97 124.36 3ias h TYR 123 Ca -0.08 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.90 3ias h TYR 123 Cb 0.65 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.64 3ias h TYR 123 CO -0.00 0.19 0.50 0.00 -1.64 0.00 0.00 178.16 177.21 3ias h ALA 124 N 1.58 1.71 -0.22 1.82 0.00 -0.37 -2.65 119.26 121.12 3ias h ALA 124 Ca 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3ias h ALA 124 Cb 0.71 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3ias h ALA 124 CO -0.37 0.16 0.00 0.44 0.00 0.00 0.00 179.25 179.48 3ias n ILE 125 N -4.49 0.58 -3.02 0.00 -5.35 -0.63 -4.59 119.36 101.86 3ias n ILE 125 Ca 0.12 -0.79 -0.12 0.00 -0.27 0.00 0.00 62.75 61.68 3ias n ILE 125 Cb 0.26 0.81 0.06 0.00 -1.74 0.00 0.00 39.64 39.03 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 0.60 -4.66 -3.66 6.28 3.00 -0.28 -4.91 116.66 113.03 3ias n ARG 126 Ca 0.10 0.57 -0.39 0.00 -0.01 0.00 0.00 57.85 58.12 3ias n ARG 126 Cb 0.37 -4.78 -0.11 0.00 0.00 0.00 0.00 32.46 27.94 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 -3.24 3.20 -0.81 7.54 0.00 -0.17 -4.05 121.76 124.23 3ias s ALA 127 Ca 0.07 -1.91 0.24 0.00 0.00 0.00 0.00 51.96 50.36 3ias s ALA 127 Cb -0.03 -2.49 0.94 0.00 0.00 0.00 0.00 23.12 21.53 3ias s ALA 127 CO 0.49 -1.48 1.76 0.25 0.00 0.00 0.00 175.76 176.78 3ias n THR 128 N 4.89 0.54 -3.74 0.00 -2.24 -1.22 -4.55 114.28 107.95 3ias n THR 128 Ca -0.11 -0.01 -0.12 0.00 -2.27 0.00 0.00 64.05 61.54 3ias n THR 128 Cb 0.44 -0.75 -0.12 0.00 -2.10 0.00 0.00 70.33 67.80 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 -3.10 -0.03 0.18 2.28 1.01 -1.25 -2.89 120.40 116.61 3ias s VAL 129 Ca 0.10 0.10 0.11 0.00 0.00 0.00 0.00 61.98 62.28 3ias s VAL 129 Cb 0.13 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 3ias s VAL 129 CO 0.48 0.04 -0.23 -0.83 0.00 0.00 0.00 175.10 174.56 3ias s GLY 130 N 0.90 1.64 0.10 4.51 0.00 -0.49 -2.24 107.32 111.74 3ias s GLY 130 Ca -0.06 -1.60 0.09 0.00 0.00 0.00 0.00 44.72 43.15 3ias s GLY 130 CO -0.06 -1.63 -0.23 -0.19 0.00 0.00 0.00 173.10 170.99 3ias s TYR 131 N -1.68 2.01 -0.21 1.90 1.51 -0.43 -1.92 117.35 118.53 3ias s TYR 131 Ca 0.19 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.86 3ias s TYR 131 Cb -0.08 -1.12 0.03 0.00 -0.11 0.00 0.00 41.96 40.69 3ias s TYR 131 CO 0.09 0.23 -0.16 0.42 -1.11 0.00 0.00 175.55 175.02 3ias s ILE 132 N -1.05 2.22 -0.48 2.71 1.01 -0.46 -0.71 121.20 124.43 3ias s ILE 132 Ca 0.10 -1.11 -0.18 0.00 0.00 0.00 0.00 60.65 59.45 3ias s ILE 132 Cb -0.10 -2.05 0.05 0.00 0.01 0.00 0.00 42.46 40.37 3ias s ILE 132 CO 0.04 0.36 0.55 -0.47 0.00 0.00 0.00 174.94 175.42 3ias s TYR 133 N 1.25 3.11 -0.09 3.97 6.14 -0.63 -1.30 117.35 129.80 3ias s TYR 133 Ca 0.01 -0.57 -0.01 0.00 0.64 0.00 0.00 57.07 57.14 3ias s TYR 133 Cb -0.15 -3.36 -0.03 0.00 0.42 0.00 0.00 41.96 38.83 3ias s TYR 133 CO -0.10 -0.93 -0.04 0.14 0.64 0.00 0.00 175.55 175.26 3ias s VAL 134 N 2.37 3.95 0.36 3.14 -7.23 -0.86 -1.17 120.40 120.96 3ias s VAL 134 Ca 0.13 -0.38 -0.28 0.00 -1.81 0.00 0.00 61.98 59.63 3ias s VAL 134 Cb -0.20 -2.64 -0.11 0.00 0.56 0.00 0.00 36.38 33.99 3ias s VAL 134 CO 0.11 0.59 1.52 -2.11 -0.31 0.00 0.00 175.10 174.90 3ias n ARG 135 N 2.36 2.70 0.00 4.82 1.85 -0.91 -0.83 116.66 126.67 3ias n ARG 135 Ca -0.18 0.95 0.00 0.00 -1.00 0.00 0.00 57.85 57.62 3ias n ARG 135 Cb 0.53 -2.70 0.00 0.00 -1.05 0.00 0.00 32.46 29.24 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 0.86 0.47 0.00 2.89 0.00 -1.22 -1.11 105.19 107.08 3ias n GLY 136 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 0.06 1.26 -2.56 1.61 4.71 -1.26 -4.75 120.64 119.71 3ias n GLU 137 Ca 0.00 -0.07 -0.43 0.00 -0.01 0.00 0.00 57.16 56.65 3ias n GLU 137 Cb 0.10 -1.20 0.00 0.00 -1.01 0.00 0.00 31.44 29.33 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 -1.71 4.40 0.35 -0.32 4.02 -0.26 -4.78 117.16 118.86 3ias n TYR 138 Ca -0.01 -3.04 -0.14 0.00 -0.01 0.00 0.00 57.90 54.71 3ias n TYR 138 Cb 0.26 -2.38 -0.07 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 6.96 -0.89 -0.10 -0.72 9.65 -1.85 -2.16 114.38 125.28 3ias h ARG 139 Ca 0.41 0.06 0.04 0.00 -1.10 0.00 0.00 59.98 59.39 3ias h ARG 139 Cb 0.81 0.20 -0.06 0.00 -1.39 0.00 0.00 29.97 29.53 3ias h ARG 139 CO 1.46 -0.59 -0.43 -0.09 2.80 0.00 0.00 179.97 183.12 3ias h ARG 140 N -1.12 -0.50 -0.91 0.20 2.43 -1.99 -0.42 114.38 112.07 3ias h ARG 140 Ca -0.09 0.03 0.20 0.00 -0.81 0.00 0.00 59.98 59.31 3ias h ARG 140 Cb 0.71 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.30 3ias h ARG 140 CO 0.16 -0.33 0.60 0.00 -1.51 0.00 0.00 179.97 178.88 3ias h ALA 141 N 0.05 2.16 0.05 2.80 0.00 -1.89 0.27 119.26 122.71 3ias h ALA 141 Ca 0.07 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ias h ALA 141 Cb 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3ias h ALA 141 CO -0.38 -0.45 -0.02 0.00 0.00 0.00 0.00 179.25 178.39 3ias h ALA 142 N 1.61 -0.07 -0.47 0.00 0.00 -0.44 -0.25 119.26 119.64 3ias h ALA 142 Ca 0.48 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.21 3ias h ALA 142 Cb 1.15 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 3ias h ALA 142 CO -0.19 -0.31 0.22 -0.44 0.00 0.00 0.00 179.25 178.52 3ias h ASP 143 N -0.52 0.29 -0.46 0.00 3.32 0.06 -2.14 116.42 116.96 3ias h ASP 143 Ca -0.01 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 3ias h ASP 143 Cb 0.46 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 3ias h ASP 143 CO 0.01 0.21 0.09 0.03 -1.72 0.00 0.00 179.24 177.86 3ias h ARG 144 N 0.43 0.76 0.36 3.56 2.47 -0.47 -2.30 114.38 119.18 3ias h ARG 144 Ca 0.21 -0.19 -0.02 0.00 -1.26 0.00 0.00 59.98 58.72 3ias h ARG 144 Cb 0.15 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 3ias h ARG 144 CO -0.17 0.76 -0.17 -0.07 0.56 0.00 0.00 179.97 180.88 3ias h LEU 145 N 0.63 -0.41 -0.22 3.04 3.38 -0.83 -1.63 115.31 119.28 3ias h LEU 145 Ca 0.14 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.17 3ias h LEU 145 Cb 0.36 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 3ias h LEU 145 CO 0.01 -0.28 -0.44 -0.08 0.09 0.00 0.00 178.44 177.73 3ias h GLU 146 N -0.49 -0.44 -0.30 1.13 4.57 -1.37 0.37 114.58 118.05 3ias h GLU 146 Ca -0.05 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 3ias h GLU 146 Cb 0.37 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.01 3ias h GLU 146 CO 0.08 -0.29 -0.30 1.96 -1.18 0.00 0.00 179.01 179.28 3ias h GLN 147 N -0.45 -0.14 -0.97 1.92 1.08 -1.31 -1.15 115.11 114.08 3ias h GLN 147 Ca 0.09 0.01 0.18 0.00 -1.45 0.00 0.00 58.65 57.48 3ias h GLN 147 Cb 0.62 0.03 -0.09 0.00 -0.05 0.00 0.00 27.48 27.99 3ias h GLN 147 CO -0.46 -0.09 0.61 0.00 -0.95 0.00 0.00 178.83 177.94 3ias h ALA 148 N -0.52 1.80 -0.04 3.87 0.00 -0.98 0.18 119.26 123.56 3ias h ALA 148 Ca 0.05 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3ias h ALA 148 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3ias h ALA 148 CO -0.36 -0.12 -0.41 0.82 0.00 0.00 0.00 179.25 179.18 3ias h ILE 149 N 0.71 1.30 -0.00 0.00 2.04 -0.15 -1.51 117.51 119.89 3ias h ILE 149 Ca 0.53 -1.47 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 3ias h ILE 149 Cb 0.89 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 3ias h ILE 149 CO -0.29 0.43 -0.01 0.11 0.00 0.00 0.00 178.15 178.39 3ias h LYS 150 N 0.08 0.01 -0.37 2.37 1.57 0.46 -1.25 116.57 119.44 3ias h LYS 150 Ca 0.01 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 3ias h LYS 150 Cb 0.77 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.99 3ias h LYS 150 CO 0.06 0.70 -0.31 0.93 -0.57 0.00 0.00 179.45 180.26 3ias h GLU 151 N -0.69 -0.24 -0.15 3.15 5.08 -1.00 0.18 114.58 120.92 3ias h GLU 151 Ca -0.00 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 3ias h GLU 151 Cb 0.70 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 3ias h GLU 151 CO 0.00 -0.16 -0.19 0.00 -1.00 0.00 0.00 179.01 177.66 3ias h ALA 152 N 0.78 1.41 -0.39 3.43 0.00 -1.35 -1.26 119.26 121.89 3ias h ALA 152 Ca 0.17 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3ias h ALA 152 Cb 0.52 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3ias h ALA 152 CO -0.51 0.41 -0.18 -0.09 0.00 0.00 0.00 179.25 178.88 3ias h ARG 153 N 0.23 0.73 0.00 0.00 2.43 -0.22 -0.30 114.38 117.25 3ias h ARG 153 Ca 0.04 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 3ias h ARG 153 Cb 0.47 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3ias h ARG 153 CO 0.03 0.86 0.00 0.00 -1.51 0.00 0.00 179.97 179.35 3ias n ALA 154 N -2.49 -0.07 0.00 2.80 0.00 -0.04 -3.33 120.51 117.37 3ias n ALA 154 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3ias n ALA 154 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.73 0.00 -0.76 0.00 5.12 -0.91 -4.70 116.66 114.67 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 -1.10 0.00 0.00 -1.16 0.00 0.00 32.46 30.20 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 -0.54 0.53 0.10 -0.13 0.00 -1.15 -4.92 105.19 99.09 3ias n GLY 156 Ca 0.00 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.76 0.00 -4.01 1.61 4.01 -0.17 -4.42 117.16 111.42 3ias n TYR 157 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 3ias n TYR 157 Cb 0.00 -0.22 -0.15 0.00 -0.31 0.00 0.00 39.34 38.66 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 -2.66 1.83 0.00 7.72 1.43 -0.92 -4.93 118.68 121.15 3ias s LEU 158 Ca 0.22 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 3ias s LEU 158 Cb 0.19 -0.16 0.00 0.00 0.03 0.00 0.00 46.19 46.25 3ias s LEU 158 CO 0.54 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.74 3ias n GLY 159 N 3.25 0.26 0.00 -3.19 0.00 0.05 -4.64 105.19 100.93 3ias n GLY 159 Ca -0.16 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.80 1.61 2.85 -1.26 -3.31 118.16 115.26 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 0.01 0.00 -0.65 0.00 0.00 35.03 34.39 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 -1.03 0.26 -5.58 3.84 -1.26 -4.56 114.94 106.61 3ias s ASN 161 Ca 0.00 -1.08 -0.30 0.00 0.21 0.00 0.00 52.86 51.69 3ias s ASN 161 Cb 0.00 1.35 -0.14 0.00 -0.55 0.00 0.00 41.25 41.91 3ias s ASN 161 CO 0.00 -0.05 1.23 0.18 -2.79 0.00 0.00 177.10 175.67 3ias n LEU 162 N 3.10 2.57 -2.32 3.21 4.77 -0.50 -2.80 117.00 125.03 3ias n LEU 162 Ca 0.14 1.17 -0.10 0.00 -0.03 0.00 0.00 56.01 57.19 3ias n LEU 162 Cb 0.59 -1.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.31 3ias n LEU 162 CO -0.05 -0.88 -0.13 0.49 -1.33 0.00 0.00 177.39 175.50 3ias n PHE 163 N 1.03 -1.41 0.00 -1.77 3.01 -1.26 -0.37 117.46 116.69 3ias n PHE 163 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 3ias n PHE 163 Cb 0.31 -2.42 0.00 0.00 -0.01 0.00 0.00 39.48 37.36 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 -0.69 1.93 3.76 1.37 0.00 -1.12 -4.95 105.19 105.49 3ias n GLY 164 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.77 3.61 0.00 2.61 -1.32 0.50 -4.91 115.64 115.36 3ias s THR 165 Ca 0.00 1.51 0.00 0.00 -1.21 0.00 0.00 61.69 61.99 3ias s THR 165 Cb 0.00 -3.92 0.00 0.00 -1.51 0.00 0.00 72.50 67.07 3ias s THR 165 CO 0.00 0.28 1.20 -0.90 -2.21 0.00 0.00 174.62 172.99 3ias n ASP 166 N 0.90 3.24 -4.33 8.08 5.75 -1.26 -3.68 116.55 125.24 3ias n ASP 166 Ca 0.00 -1.82 -0.32 0.00 -0.01 0.00 0.00 54.79 52.64 3ias n ASP 166 Cb 0.46 -0.67 -0.15 0.00 -1.03 0.00 0.00 41.12 39.73 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 0.65 2.64 0.13 2.11 5.36 -1.26 -5.03 117.98 122.58 3ias s PHE 167 Ca 0.00 -0.66 0.09 0.00 -0.96 0.00 0.00 56.93 55.40 3ias s PHE 167 Cb 0.00 -1.72 -0.04 0.00 -0.34 0.00 0.00 43.02 40.92 3ias s PHE 167 CO 0.00 -0.18 -0.15 -1.12 -1.46 0.00 0.00 175.22 172.30 3ias s SER 168 N 0.02 4.04 -0.30 6.13 0.01 -1.26 -1.41 113.70 120.93 3ias s SER 168 Ca -0.07 -0.54 -0.09 0.00 1.31 0.00 0.00 55.95 56.56 3ias s SER 168 Cb -0.15 -0.63 0.17 0.00 0.21 0.00 0.00 66.02 65.62 3ias s SER 168 CO 0.05 0.16 0.80 0.12 0.41 0.00 0.00 173.24 174.78 3ias s PHE 169 N -1.28 -1.09 0.26 2.43 5.36 -1.21 -4.46 117.98 117.98 3ias s PHE 169 Ca 0.20 1.49 0.12 0.00 -0.96 0.00 0.00 56.93 57.78 3ias s PHE 169 Cb -0.10 0.51 -0.05 0.00 -0.34 0.00 0.00 43.02 43.03 3ias s PHE 169 CO 0.12 -0.57 -0.21 0.34 -1.46 0.00 0.00 175.22 173.44 3ias s ASP 170 N 2.78 3.52 0.04 6.13 -1.08 -1.14 -0.77 116.67 126.16 3ias s ASP 170 Ca 0.04 -0.99 0.07 0.00 -0.52 0.00 0.00 52.55 51.16 3ias s ASP 170 Cb -0.11 -0.28 -0.03 0.00 -1.46 0.00 0.00 42.92 41.04 3ias s ASP 170 CO -0.18 0.06 -0.21 -0.76 0.52 0.00 0.00 175.17 174.60 3ias s LEU 171 N -3.29 2.17 0.03 -1.34 1.02 -1.26 -1.39 118.68 114.62 3ias s LEU 171 Ca 0.27 -0.53 0.04 0.00 0.02 0.00 0.00 54.13 53.94 3ias s LEU 171 Cb -0.06 -1.00 -0.02 0.00 0.02 0.00 0.00 46.19 45.13 3ias s LEU 171 CO 0.13 0.17 -0.13 -1.00 0.02 0.00 0.00 176.35 175.54 3ias s HIS 172 N -0.81 1.13 -0.23 0.29 3.76 -0.81 -5.00 115.29 113.63 3ias s HIS 172 Ca 0.08 -0.32 -0.07 0.00 -0.15 0.00 0.00 55.06 54.60 3ias s HIS 172 Cb -0.09 -0.68 -0.03 0.00 1.11 0.00 0.00 32.58 32.89 3ias s HIS 172 CO 0.02 0.01 0.05 0.08 -0.85 0.00 0.00 174.74 174.05 3ias s VAL 173 N -0.73 4.22 -0.29 -0.90 1.01 -1.26 -1.35 120.40 121.09 3ias s VAL 173 Ca 0.02 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 3ias s VAL 173 Cb -0.07 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.38 3ias s VAL 173 CO 0.01 0.38 0.06 -2.28 0.00 0.00 0.00 175.10 173.26 3ias s HIS 174 N 1.33 3.15 0.09 5.22 5.04 -0.42 -4.96 115.29 124.74 3ias s HIS 174 Ca 0.05 -1.14 -0.25 0.00 -1.54 0.00 0.00 55.06 52.18 3ias s HIS 174 Cb -0.15 -2.22 -0.06 0.00 0.04 0.00 0.00 32.58 30.19 3ias s HIS 174 CO 0.03 -0.62 0.78 1.03 -2.34 0.00 0.00 174.74 173.61 3ias s ARG 175 N 1.45 4.53 0.00 2.88 0.52 -1.26 -2.03 118.95 125.04 3ias s ARG 175 Ca 0.02 1.11 0.00 0.00 -0.52 0.00 0.00 55.73 56.34 3ias s ARG 175 Cb -0.17 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 31.97 3ias s ARG 175 CO 0.01 0.38 0.00 0.41 0.02 0.00 0.00 175.30 176.12 3ias n GLY 176 N 2.10 -0.21 1.51 -3.53 0.00 -0.01 -4.84 105.19 100.22 3ias n GLY 176 Ca -0.03 -1.72 -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 3.00 -1.39 4.61 0.00 -1.26 -3.41 120.51 119.05 3ias n ALA 177 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 53.44 51.84 3ias n ALA 177 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 0.03 -2.59 3.15 0.00 0.00 -1.26 -4.93 105.19 99.58 3ias n GLY 178 Ca -0.10 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.02 -3.84 0.32 4.61 0.00 -1.26 -5.04 121.76 116.53 3ias s ALA 179 Ca 0.00 1.33 0.07 0.00 0.00 0.00 0.00 51.96 53.35 3ias s ALA 179 Cb 0.00 -2.79 0.90 0.00 0.00 0.00 0.00 23.12 21.22 3ias s ALA 179 CO 0.00 -2.05 1.53 0.98 0.00 0.00 0.00 175.76 176.22 3ias n TYR 180 N 5.16 0.76 0.21 0.00 9.36 -1.26 -0.45 117.16 130.93 3ias n TYR 180 Ca 0.08 1.17 0.16 0.00 3.32 0.00 0.00 57.90 62.64 3ias n TYR 180 Cb 0.57 -1.32 0.82 0.00 -0.63 0.00 0.00 39.34 38.78 3ias n TYR 180 CO 0.00 0.00 0.00 0.97 0.22 0.00 0.00 176.86 178.05 3ias h ILE 181 N 0.00 0.53 0.00 2.97 6.09 -1.95 -1.41 117.51 123.75 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 1.47 0.87 0.00 0.00 0.47 0.00 0.00 36.82 39.63 3ias h ILE 181 CO -0.87 0.00 0.02 0.00 -3.07 0.00 0.00 178.15 174.23 3ias h GLY 183 N 0.00 0.00 -5.07 0.00 0.00 -1.46 -3.17 103.07 93.37 3ias h GLY 183 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 3ias h GLY 183 CO 0.00 0.00 0.97 1.85 0.00 0.00 0.00 176.54 179.36 3ias s GLU 184 N -3.19 4.22 0.21 4.80 -6.30 -0.35 -4.87 118.70 113.22 3ias s GLU 184 Ca 0.06 2.05 -0.19 0.00 -2.50 0.00 0.00 54.97 54.40 3ias s GLU 184 Cb 0.11 -3.77 0.18 0.00 0.00 0.00 0.00 34.13 30.65 3ias s GLU 184 CO 0.69 -0.72 1.58 1.05 0.02 0.00 0.00 175.26 177.87 3ias h GLU 185 N 8.63 -0.09 0.00 4.30 4.11 -1.88 0.32 114.58 129.96 3ias h GLU 185 Ca -0.37 0.01 -0.05 0.00 0.07 0.00 0.00 59.36 59.01 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 0.94 -0.06 -0.24 0.00 0.07 0.00 0.00 179.01 179.72 3ias h THR 186 N -0.10 1.03 -0.00 -1.06 1.03 -1.94 -2.39 112.91 109.48 3ias h THR 186 Ca 0.28 -0.85 -0.00 0.00 -0.01 0.00 0.00 66.41 65.83 3ias h THR 186 Cb 0.57 1.48 -0.00 0.00 -1.07 0.00 0.00 68.15 69.13 3ias h THR 186 CO -0.79 0.23 -0.01 0.00 -0.01 0.00 0.00 175.52 174.94 3ias h ALA 187 N 1.76 0.01 -0.92 0.00 0.00 -0.71 -3.27 119.26 116.13 3ias h ALA 187 Ca -0.00 -0.28 0.21 0.00 0.00 0.00 0.00 54.91 54.84 3ias h ALA 187 Cb 0.46 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.07 3ias h ALA 187 CO 0.03 -0.21 -0.13 1.25 0.00 0.00 0.00 179.25 180.19 3ias h LEU 188 N -0.54 -0.70 -0.48 0.00 6.46 -0.36 0.20 115.31 119.89 3ias h LEU 188 Ca 0.00 0.27 0.05 0.00 -0.12 0.00 0.00 57.88 58.08 3ias h LEU 188 Cb 0.56 0.52 -0.05 0.00 -0.73 0.00 0.00 40.66 40.97 3ias h LEU 188 CO 0.00 -0.31 0.21 0.24 -0.62 0.00 0.00 178.44 177.97 3ias h MET 189 N 0.01 0.40 -0.72 1.25 2.86 -1.55 -0.79 114.93 116.39 3ias h MET 189 Ca 0.48 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 58.03 3ias h MET 189 Cb 0.84 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 3ias h MET 189 CO -0.91 0.27 0.19 -0.91 1.06 0.00 0.00 176.91 176.60 3ias h ASN 190 N 0.42 1.09 0.32 1.22 4.21 -0.69 0.24 115.58 122.38 3ias h ASN 190 Ca 0.22 -0.23 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 3ias h ASN 190 Cb 0.18 -0.29 0.00 0.00 -1.12 0.00 0.00 38.32 37.10 3ias h ASN 190 CO -0.19 1.04 -0.15 -1.28 -1.29 0.00 0.00 177.43 175.55 3ias h SER 191 N 1.09 -0.36 -0.59 5.81 0.87 -0.63 -0.70 113.55 119.04 3ias h SER 191 Ca 0.23 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3ias h SER 191 Cb 0.36 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 3ias h SER 191 CO 0.00 -0.15 0.32 0.25 -0.53 0.00 0.00 176.83 176.73 3ias h LEU 192 N -0.57 0.73 -0.49 2.23 6.46 -1.16 -2.58 115.31 119.95 3ias h LEU 192 Ca -0.04 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 3ias h LEU 192 Cb 0.42 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 3ias h LEU 192 CO 0.07 0.61 0.00 1.21 -0.62 0.00 0.00 178.44 179.71 3ias n GLU 193 N -4.59 0.05 0.00 1.25 2.13 0.84 -4.80 120.64 115.52 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 0.08 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 30.13 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 -1.31 1.15 3.90 8.31 0.00 -0.97 -5.05 105.19 111.23 3ias n GLY 194 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 2.69 0.38 0.99 1.43 -0.30 -5.04 118.68 118.83 3ias s LEU 195 Ca 0.00 -1.26 -0.26 0.00 -1.03 0.00 0.00 54.13 51.58 3ias s LEU 195 Cb 0.00 -1.18 -0.09 0.00 0.03 0.00 0.00 46.19 44.96 3ias s LEU 195 CO 0.00 -1.10 1.20 -0.13 0.23 0.00 0.00 176.35 176.54 3ias s ARG 196 N -4.28 4.12 0.00 1.70 0.52 -1.26 -4.27 118.95 115.48 3ias s ARG 196 Ca 0.33 1.92 -0.03 0.00 -0.52 0.00 0.00 55.73 57.43 3ias s ARG 196 Cb -0.02 -2.77 -0.15 0.00 0.52 0.00 0.00 34.95 32.53 3ias s ARG 196 CO 0.21 -0.29 2.36 0.00 0.02 0.00 0.00 175.30 177.60 3ias n ALA 197 N 0.24 4.33 -2.15 2.13 0.00 -1.26 -4.60 120.51 119.20 3ias n ALA 197 Ca 0.03 -1.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.08 3ias n ALA 197 Cb 0.45 -2.13 -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 2.28 7.20 0.75 0.00 0.02 -1.26 -4.77 114.94 119.16 3ias s ASN 198 Ca 0.37 1.42 -0.11 0.00 -1.02 0.00 0.00 52.86 53.52 3ias s ASN 198 Cb 0.18 -2.42 0.05 0.00 0.02 0.00 0.00 41.25 39.07 3ias s ASN 198 CO 0.00 0.24 1.10 -2.16 0.02 0.00 0.00 177.10 176.29 3ias s PRO 199 N -1.17 2.35 0.38 -0.60 0.04 -1.26 -4.41 135.00 130.32 3ias s PRO 199 Ca 0.32 1.23 0.07 0.00 0.04 0.00 0.00 61.00 62.67 3ias s PRO 199 Cb -0.21 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 3ias s PRO 199 CO 0.22 -1.58 0.45 1.03 0.04 0.00 0.00 177.00 177.17 3ias s ARG 200 N -4.72 2.82 -0.13 4.56 0.52 -1.26 -4.91 118.95 115.83 3ias s ARG 200 Ca 0.63 -1.25 -0.29 0.00 -0.52 0.00 0.00 55.73 54.29 3ias s ARG 200 Cb -0.18 -2.64 -0.04 0.00 0.52 0.00 0.00 34.95 32.61 3ias s ARG 200 CO 0.53 -0.10 1.64 -1.17 0.02 0.00 0.00 175.30 176.22 3ias s LEU 201 N -4.19 4.11 0.00 2.53 2.96 -1.26 -4.90 118.68 117.93 3ias s LEU 201 Ca 0.48 1.95 0.27 0.00 -0.22 0.00 0.00 54.13 56.61 3ias s LEU 201 Cb -0.08 -3.53 0.81 0.00 0.50 0.00 0.00 46.19 43.89 3ias s LEU 201 CO 0.30 -1.09 1.62 0.29 -1.32 0.00 0.00 176.35 176.16 3ias n LYS 202 N 7.38 0.04 -0.33 1.98 5.02 -1.26 -3.65 118.16 127.34 3ias n LYS 202 Ca 0.18 -0.02 0.21 0.00 -2.02 0.00 0.00 58.31 56.67 3ias n LYS 202 Cb 0.44 -1.50 0.43 0.00 -0.02 0.00 0.00 35.03 34.38 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 0.04 0.34 -4.30 1.97 0.11 -2.04 -3.19 132.00 124.93 3ias h PRO 203 Ca 0.00 -0.02 -0.75 0.00 0.11 0.00 0.00 66.00 65.34 3ias h PRO 203 Cb 0.49 -0.08 -0.23 0.00 0.11 0.00 0.00 31.00 31.30 3ias h PRO 203 CO 0.00 0.23 0.20 -1.25 -0.21 0.00 0.00 178.00 176.96 3ias s PRO 204 N -5.72 3.39 0.78 1.05 0.04 -1.24 -5.08 135.00 128.21 3ias s PRO 204 Ca -0.10 -1.96 -0.13 0.00 0.04 0.00 0.00 61.00 58.85 3ias s PRO 204 Cb 0.29 -4.47 0.06 0.00 0.04 0.00 0.00 34.50 30.43 3ias s PRO 204 CO 0.79 -1.45 1.17 -0.06 0.04 0.00 0.00 177.00 177.49 3ias s PHE 205 N 1.44 2.05 0.27 0.56 0.08 -1.21 -4.76 117.98 116.42 3ias s PHE 205 Ca 0.17 1.64 -0.02 0.00 0.12 0.00 0.00 56.93 58.84 3ias s PHE 205 Cb -0.15 -3.36 0.36 0.00 -0.57 0.00 0.00 43.02 39.29 3ias s PHE 205 CO -0.04 -2.48 1.82 -1.00 -0.10 0.00 0.00 175.22 173.42 3ias h PRO 206 N -0.77 0.90 -0.50 0.24 0.13 -1.88 -0.33 132.00 129.80 3ias h PRO 206 Ca -0.46 -0.18 0.11 0.00 -0.87 0.00 0.00 66.00 64.60 3ias h PRO 206 Cb 1.28 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 3ias h PRO 206 CO 0.48 0.79 0.34 0.00 -0.23 0.00 0.00 178.00 179.38 3ias h ALA 207 N 1.31 2.22 -0.01 -0.56 0.00 -1.91 -2.04 119.26 118.27 3ias h ALA 207 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ias h ALA 207 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ias h ALA 207 CO -0.01 -0.35 -0.36 1.04 0.00 0.00 0.00 179.25 179.58 3ias n GLN 208 N -4.44 2.30 -2.96 0.00 3.00 -1.01 -3.90 117.38 110.36 3ias n GLN 208 Ca 0.08 -0.46 -0.00 0.00 -0.01 0.00 0.00 57.00 56.60 3ias n GLN 208 Cb 0.44 -1.13 0.00 0.00 0.00 0.00 0.00 30.24 29.55 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 -1.75 -1.17 0.00 1.08 0.15 -0.17 -4.26 113.70 107.58 3ias s SER 209 Ca 0.08 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.88 3ias s SER 209 Cb 0.10 1.50 0.00 0.00 -1.71 0.00 0.00 66.02 65.91 3ias s SER 209 CO 0.37 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.32 3ias n GLY 210 N 3.75 1.06 3.52 9.45 0.00 -0.05 -4.28 105.19 118.64 3ias n GLY 210 Ca 0.12 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.67 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 2.69 -2.70 0.99 7.94 -1.22 -1.36 117.00 123.34 3ias n LEU 211 Ca 0.00 0.33 -0.17 0.00 -1.11 0.00 0.00 56.01 55.06 3ias n LEU 211 Cb 0.00 -1.40 -0.00 0.00 0.53 0.00 0.00 43.42 42.55 3ias n LEU 211 CO 0.00 -0.69 -0.13 0.79 -1.11 0.00 0.00 177.39 176.25 3ias n TRP 212 N 10.59 -1.51 0.00 1.96 8.01 -1.26 -2.30 117.44 132.93 3ias n TRP 212 Ca 0.36 0.17 0.00 0.00 -1.31 0.00 0.00 57.50 56.71 3ias n TRP 212 Cb 0.33 -3.23 0.00 0.00 -2.01 0.00 0.00 31.31 26.40 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 -1.01 1.18 3.86 6.99 0.00 -0.46 -5.04 105.19 110.71 3ias n GLY 213 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.75 3.89 -0.36 1.61 -0.14 -0.97 -4.31 119.74 118.71 3ias s LYS 214 Ca 0.00 0.38 -0.30 0.00 -1.36 0.00 0.00 55.97 54.69 3ias s LYS 214 Cb 0.00 -2.78 -0.08 0.00 -1.68 0.00 0.00 37.83 33.28 3ias s LYS 214 CO 0.00 0.40 2.28 -2.30 -0.76 0.00 0.00 175.35 174.97 3ias n PRO 215 N 0.33 1.37 -4.46 -1.68 -0.02 -1.26 -0.87 135.00 128.41 3ias n PRO 215 Ca -0.02 0.31 -0.23 0.00 -2.02 0.00 0.00 63.50 61.53 3ias n PRO 215 Cb 0.52 -2.94 -0.10 0.00 -0.02 0.00 0.00 33.50 30.96 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 8.91 2.21 0.05 3.45 -4.23 -1.03 -2.65 115.64 122.35 3ias s THR 216 Ca 1.05 -2.31 0.04 0.00 -1.18 0.00 0.00 61.69 59.30 3ias s THR 216 Cb -0.52 -2.33 -0.02 0.00 1.34 0.00 0.00 72.50 70.97 3ias s THR 216 CO 0.38 -0.39 -0.13 0.28 -0.54 0.00 0.00 174.62 174.22 3ias s THR 217 N -2.66 0.99 -0.09 3.99 -1.32 -0.81 -3.19 115.64 112.54 3ias s THR 217 Ca 0.29 -1.04 0.01 0.00 -1.21 0.00 0.00 61.69 59.74 3ias s THR 217 Cb -0.02 -0.93 0.02 0.00 -1.51 0.00 0.00 72.50 70.06 3ias s THR 217 CO 0.13 -0.10 -0.10 -0.63 -2.21 0.00 0.00 174.62 171.71 3ias s ILE 218 N -0.99 1.14 0.08 5.08 1.01 -1.26 -1.79 121.20 124.46 3ias s ILE 218 Ca -0.01 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.26 3ias s ILE 218 Cb -0.08 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 3ias s ILE 218 CO 0.01 0.37 -0.10 0.20 0.00 0.00 0.00 174.94 175.43 3ias s ASN 219 N 1.19 1.27 0.44 3.58 -0.87 -0.94 -5.00 114.94 114.62 3ias s ASN 219 Ca -0.04 -0.72 -0.20 0.00 -1.57 0.00 0.00 52.86 50.32 3ias s ASN 219 Cb -0.14 0.02 -0.10 0.00 -0.02 0.00 0.00 41.25 41.00 3ias s ASN 219 CO -0.03 -0.24 0.95 0.21 -2.57 0.00 0.00 177.10 175.42 3ias s ASN 220 N -2.14 6.87 0.16 -1.22 3.84 -1.26 -1.53 114.94 119.66 3ias s ASN 220 Ca 0.00 1.66 -0.23 0.00 0.21 0.00 0.00 52.86 54.50 3ias s ASN 220 Cb -0.05 -2.53 0.03 0.00 -0.55 0.00 0.00 41.25 38.15 3ias s ASN 220 CO -0.00 -0.40 1.34 0.52 -2.79 0.00 0.00 177.10 175.77 3ias n VAL 221 N -0.82 -0.54 -0.23 -5.21 0.31 -1.26 -0.34 118.33 110.24 3ias n VAL 221 Ca 0.07 2.08 -0.01 0.00 -0.01 0.00 0.00 64.34 66.47 3ias n VAL 221 Cb 0.54 -2.62 0.21 0.00 -0.91 0.00 0.00 33.84 31.05 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 1.03 0.16 5.55 4.81 -1.93 -0.81 114.58 123.40 3ias h GLU 222 Ca 0.19 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3ias h GLU 222 Cb 0.41 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3ias h GLU 222 CO -0.83 0.72 -0.08 1.15 -0.73 0.00 0.00 179.01 179.24 3ias h THR 223 N 1.05 0.91 -0.21 0.32 2.02 -1.01 -0.82 112.91 115.17 3ias h THR 223 Ca 0.27 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 67.09 3ias h THR 223 Cb -0.04 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3ias h THR 223 CO -0.05 0.07 -0.12 -0.07 0.37 0.00 0.00 175.52 175.72 3ias h LEU 224 N -0.36 0.32 -0.66 2.58 3.38 -0.89 -2.23 115.31 117.45 3ias h LEU 224 Ca -0.02 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 3ias h LEU 224 Cb 0.29 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3ias h LEU 224 CO 0.04 0.48 -0.64 0.00 0.09 0.00 0.00 178.44 178.40 3ias h ALA 225 N 1.56 0.87 0.00 1.53 0.00 -1.04 -2.70 119.26 119.48 3ias h ALA 225 Ca 0.06 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3ias h ALA 225 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3ias h ALA 225 CO 0.02 0.77 0.00 0.77 0.00 0.00 0.00 179.25 180.82 3ias h SER 226 N 0.09 0.00 0.57 0.00 0.02 -0.54 -2.81 113.55 110.87 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 1.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 3ias h SER 226 CO 0.09 0.00 -0.25 0.58 -1.14 0.00 0.00 176.83 176.12 3ias h VAL 227 N 0.00 0.78 0.42 2.27 2.07 -1.18 -2.96 116.25 117.66 3ias h VAL 227 Ca 0.00 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 3ias h VAL 227 Cb 0.46 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3ias h VAL 227 CO 0.00 0.24 -0.20 0.58 0.02 0.00 0.00 177.57 178.21 3ias h VAL 228 N 0.00 0.54 0.00 2.57 2.07 -1.63 -2.30 116.25 117.50 3ias h VAL 228 Ca -0.00 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 3ias h VAL 228 Cb 0.60 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3ias h VAL 228 CO 0.03 0.07 -0.19 1.55 0.02 0.00 0.00 177.57 179.05 3ias h PRO 229 N -0.82 0.00 -0.54 1.57 0.13 -1.73 -2.18 132.00 128.44 3ias h PRO 229 Ca -0.06 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.96 3ias h PRO 229 Cb 0.55 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 3ias h PRO 229 CO 0.10 0.19 -0.10 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 -1.45 -1.84 117.51 113.97 3ias h ILE 230 Ca -0.00 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.60 3ias h ILE 230 Cb 0.47 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3ias h ILE 230 CO 0.02 0.44 0.00 0.24 0.00 0.00 0.00 178.15 178.86 3ias h MET 231 N 0.90 0.00 0.00 2.37 2.86 -1.18 -3.31 114.93 116.58 3ias h MET 231 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3ias h MET 231 Cb 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 3ias h MET 231 CO 0.05 0.00 0.00 -1.91 1.06 0.00 0.00 176.91 176.11 3ias n GLU 232 N -3.07 0.00 -3.16 1.72 2.13 -0.84 -4.75 120.64 112.67 3ias n GLU 232 Ca 0.03 0.13 -0.41 0.00 0.66 0.00 0.00 57.16 57.57 3ias n GLU 232 Cb 0.45 -0.58 -0.07 0.00 0.27 0.00 0.00 31.44 31.52 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 -0.31 3.89 0.27 5.31 1.70 -0.72 -5.01 118.95 124.09 3ias s ARG 233 Ca 0.00 0.23 -0.06 0.00 -0.47 0.00 0.00 55.73 55.44 3ias s ARG 233 Cb 0.00 -3.72 -0.05 0.00 -0.57 0.00 0.00 34.95 30.61 3ias s ARG 233 CO 0.00 -0.53 -0.19 0.41 -1.08 0.00 0.00 175.30 173.90 3ias n GLY 234 N 4.48 -1.35 0.38 3.88 0.00 -1.26 -4.45 105.19 106.87 3ias n GLY 234 Ca -0.02 -0.20 0.19 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.22 1.95 -0.01 4.61 0.00 -1.83 0.24 119.26 124.00 3ias h ALA 235 Ca -0.14 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3ias h ALA 235 Cb 0.43 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3ias h ALA 235 CO 0.09 -0.61 -0.51 -0.44 0.00 0.00 0.00 179.25 177.78 3ias h ASP 236 N 0.00 0.03 -0.32 0.00 3.32 -1.92 -1.02 116.42 116.51 3ias h ASP 236 Ca 0.15 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 3ias h ASP 236 Cb 1.05 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 3ias h ASP 236 CO -0.00 0.53 -0.17 -0.25 -1.72 0.00 0.00 179.24 177.63 3ias h TRP 237 N 0.02 0.79 -0.18 4.55 7.01 -0.74 -2.27 115.95 125.13 3ias h TRP 237 Ca -0.00 -0.20 0.03 0.00 2.11 0.00 0.00 58.89 60.82 3ias h TRP 237 Cb 0.90 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.76 3ias h TRP 237 CO 0.00 0.91 0.02 0.35 -2.79 0.00 0.00 178.44 176.93 3ias h PHE 238 N 0.45 0.03 0.00 2.65 3.57 -1.42 -3.01 116.94 119.21 3ias h PHE 238 Ca 0.07 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3ias h PHE 238 Cb 0.70 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.46 3ias h PHE 238 CO 0.06 0.00 -0.06 0.00 -2.23 0.00 0.00 178.31 176.08 3ias h ALA 239 N 1.14 1.05 0.00 2.41 0.00 -1.09 -2.46 119.26 120.31 3ias h ALA 239 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ias h ALA 239 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ias h ALA 239 CO -0.12 0.08 0.00 0.94 0.00 0.00 0.00 179.25 180.14 3ias n GLN 240 N -3.24 0.72 -3.97 0.00 7.27 -0.86 -4.60 117.38 112.69 3ias n GLN 240 Ca -0.00 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.85 3ias n GLN 240 Cb 0.28 -1.15 -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 -1.59 0.77 0.00 3.69 1.75 -0.93 -2.33 119.30 120.66 3ias s MET 241 Ca 0.00 -0.02 0.00 0.00 -1.25 0.00 0.00 55.69 54.42 3ias s MET 241 Cb 0.00 -0.94 0.00 0.00 2.84 0.00 0.00 34.83 36.73 3ias s MET 241 CO 0.00 -0.19 0.00 0.41 -0.65 0.00 0.00 175.02 174.59 3ias n GLY 242 N 4.58 -0.45 0.05 2.11 0.00 -0.52 -0.99 105.19 109.97 3ias n GLY 242 Ca -0.16 -2.20 -0.00 0.00 0.00 0.00 0.00 46.02 43.65 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 0.24 2.61 -1.04 -0.92 -4.76 114.28 110.42 3ias n THR 243 Ca 0.00 -0.02 0.13 0.00 -2.04 0.00 0.00 64.05 62.12 3ias n THR 243 Cb 0.00 -1.29 0.52 0.00 -1.82 0.00 0.00 70.33 67.74 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 0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3ias h GLU 244 CO 0.00 0.13 0.00 1.04 -0.73 0.00 0.00 179.01 179.45 3ias n GLN 245 N -3.26 0.28 -3.76 1.92 6.02 -1.26 -4.89 117.38 112.44 3ias n GLN 245 Ca 0.01 -0.23 -0.28 0.00 -0.01 0.00 0.00 57.00 56.49 3ias n GLN 245 Cb 0.39 -0.69 -0.11 0.00 1.02 0.00 0.00 30.24 30.85 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 -0.11 3.08 -4.80 1.08 7.64 -1.23 -4.88 113.62 114.41 3ias n SER 246 Ca 0.00 -3.24 -0.37 0.00 1.01 0.00 0.00 58.87 56.27 3ias n SER 246 Cb 0.09 -0.73 -0.06 0.00 -1.01 0.00 0.00 64.21 62.50 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 -1.68 4.41 0.00 1.43 -0.14 -1.26 -2.16 119.74 120.34 3ias s LYS 247 Ca 0.29 1.07 0.00 0.00 -1.36 0.00 0.00 55.97 55.97 3ias s LYS 247 Cb 0.01 -2.89 0.00 0.00 -1.68 0.00 0.00 37.83 33.28 3ias s LYS 247 CO -0.13 0.37 0.00 0.41 -0.76 0.00 0.00 175.35 175.24 3ias n GLY 248 N 0.74 -0.97 3.71 -3.33 0.00 -0.16 -4.67 105.19 100.52 3ias n GLY 248 Ca -0.01 -2.21 -0.35 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.38 3.17 0.06 1.61 0.23 -1.26 -1.28 119.30 121.44 3ias s MET 249 Ca 0.00 -0.35 0.07 0.00 -1.03 0.00 0.00 55.69 54.37 3ias s MET 249 Cb 0.00 -2.90 -0.04 0.00 -1.53 0.00 0.00 34.83 30.36 3ias s MET 249 CO 0.00 0.67 -0.14 0.21 -2.03 0.00 0.00 175.02 173.73 3ias s LYS 250 N -0.76 2.15 -0.51 3.16 2.47 0.16 -4.80 119.74 121.59 3ias s LYS 250 Ca 0.12 -0.96 -0.22 0.00 -1.56 0.00 0.00 55.97 53.35 3ias s LYS 250 Cb -0.12 -2.27 0.04 0.00 -1.46 0.00 0.00 37.83 34.03 3ias s LYS 250 CO 0.02 0.54 0.76 -0.51 0.16 0.00 0.00 175.35 176.32 3ias s LEU 251 N -1.69 4.52 0.17 5.43 1.02 -1.26 -1.07 118.68 125.79 3ias s LEU 251 Ca 0.17 -0.56 -0.08 0.00 0.02 0.00 0.00 54.13 53.68 3ias s LEU 251 Cb -0.11 -2.67 -0.06 0.00 0.02 0.00 0.00 46.19 43.37 3ias s LEU 251 CO 0.08 -1.01 0.46 -0.31 0.02 0.00 0.00 176.35 175.59 3ias s TYR 252 N 3.22 3.48 -0.01 0.29 2.02 -0.96 -4.75 117.35 120.63 3ias s TYR 252 Ca 0.23 0.76 0.01 0.00 -0.37 0.00 0.00 57.07 57.70 3ias s TYR 252 Cb -0.15 -2.16 0.01 0.00 -0.40 0.00 0.00 41.96 39.26 3ias s TYR 252 CO 0.16 0.38 -0.03 1.14 -1.57 0.00 0.00 175.55 175.64 3ias s GLN 253 N -2.53 0.33 0.01 -0.62 0.00 -0.92 0.00 119.66 115.93 3ias s GLN 253 Ca 0.42 -0.06 0.07 0.00 -0.00 0.00 0.00 55.36 55.78 3ias s GLN 253 Cb -0.12 -0.38 -0.02 0.00 0.00 0.00 0.00 33.01 32.48 3ias s GLN 253 CO 0.22 0.00 -0.20 -1.50 0.00 0.00 0.00 175.29 173.81 3ias s ILE 254 N 0.33 1.61 0.18 3.63 2.07 -0.88 0.61 121.20 128.75 3ias s ILE 254 Ca -0.03 -0.99 -0.05 0.00 -1.41 0.00 0.00 60.65 58.17 3ias s ILE 254 Cb -0.06 -1.36 -0.03 0.00 0.13 0.00 0.00 42.46 41.14 3ias s ILE 254 CO -0.01 0.35 0.21 -0.94 -1.91 0.00 0.00 174.94 172.64 3ias s SER 255 N -0.76 0.12 0.00 4.50 1.04 -0.51 -1.28 113.70 116.83 3ias s SER 255 Ca 0.08 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.37 3ias s SER 255 Cb -0.08 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.44 3ias s SER 255 CO 0.00 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.96 3ias n GLY 256 N -0.23 -1.44 3.26 7.32 0.00 -1.26 -2.19 105.19 110.66 3ias n GLY 256 Ca -0.03 -2.09 -0.38 0.00 0.00 0.00 0.00 46.02 43.52 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 1.63 -4.24 1.61 -0.02 -1.26 -4.85 135.00 127.87 3ias n PRO 257 Ca 0.00 -2.12 -0.14 0.00 -2.02 0.00 0.00 63.50 59.22 3ias n PRO 257 Cb 0.00 -3.21 -0.10 0.00 -0.02 0.00 0.00 33.50 30.17 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 6.90 1.11 0.08 -1.45 0.11 -1.26 -2.20 120.40 123.68 3ias s VAL 258 Ca 0.61 -2.02 -0.28 0.00 -2.93 0.00 0.00 61.98 57.35 3ias s VAL 258 Cb 0.09 -1.80 -0.16 0.00 -1.53 0.00 0.00 36.38 32.99 3ias s VAL 258 CO 0.12 -0.74 1.67 0.50 -3.33 0.00 0.00 175.10 173.31 3ias h LYS 259 N 2.86 -0.49 -3.06 1.54 3.64 -1.21 -3.38 116.57 116.48 3ias h LYS 259 Ca -0.36 0.03 -0.58 0.00 -1.27 0.00 0.00 60.65 58.46 3ias h LYS 259 Cb 1.19 0.11 -0.40 0.00 -0.41 0.00 0.00 32.23 32.72 3ias h LYS 259 CO 0.63 -0.33 -0.77 -0.98 -2.27 0.00 0.00 179.45 175.72 3ias s ARG 260 N -6.11 0.79 1.11 1.90 1.70 0.12 -5.02 118.95 113.45 3ias s ARG 260 Ca -0.16 -1.36 -0.18 0.00 -0.47 0.00 0.00 55.73 53.56 3ias s ARG 260 Cb 0.05 -1.84 0.26 0.00 -0.57 0.00 0.00 34.95 32.85 3ias s ARG 260 CO 0.64 -1.10 1.21 -1.25 -1.08 0.00 0.00 175.30 173.72 3ias s PRO 261 N 1.15 -0.53 0.00 3.89 0.04 -1.26 -4.28 135.00 134.01 3ias s PRO 261 Ca 0.14 -0.25 0.00 0.00 0.04 0.00 0.00 61.00 60.93 3ias s PRO 261 Cb -0.21 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.64 3ias s PRO 261 CO -0.12 -3.22 0.00 0.41 0.04 0.00 0.00 177.00 174.11 3ias n GLY 262 N -2.16 0.40 3.82 0.56 0.00 -0.40 -4.98 105.19 102.43 3ias n GLY 262 Ca 0.15 -2.24 -0.36 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.42 4.59 -0.19 1.61 1.01 -1.26 -2.06 120.40 123.68 3ias s VAL 263 Ca 0.00 1.24 -0.04 0.00 0.00 0.00 0.00 61.98 63.17 3ias s VAL 263 Cb 0.00 -3.83 0.08 0.00 0.00 0.00 0.00 36.38 32.62 3ias s VAL 263 CO 0.00 0.18 0.16 -0.31 0.00 0.00 0.00 175.10 175.12 3ias s TYR 264 N -1.55 -0.03 0.17 5.22 1.51 0.10 -4.98 117.35 117.78 3ias s TYR 264 Ca 0.44 -0.09 -0.31 0.00 -1.01 0.00 0.00 57.07 56.09 3ias s TYR 264 Cb -0.16 -0.55 -0.10 0.00 -0.11 0.00 0.00 41.96 41.04 3ias s TYR 264 CO 0.21 -0.57 1.56 -2.00 -1.11 0.00 0.00 175.55 173.63 3ias s GLU 265 N 2.23 4.22 0.09 -0.62 2.12 -1.26 -2.27 118.70 123.20 3ias s GLU 265 Ca 0.05 2.35 -0.15 0.00 0.36 0.00 0.00 54.97 57.58 3ias s GLU 265 Cb -0.16 -3.15 0.03 0.00 0.26 0.00 0.00 34.13 31.10 3ias s GLU 265 CO -0.12 -0.59 0.35 -0.51 -0.54 0.00 0.00 175.26 173.85 3ias s LEU 266 N 1.06 0.64 0.02 2.70 1.43 -0.23 -4.94 118.68 119.36 3ias s LEU 266 Ca 0.69 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 53.22 3ias s LEU 266 Cb -0.43 1.61 -0.04 0.00 0.03 0.00 0.00 46.19 47.36 3ias s LEU 266 CO 0.32 -0.75 1.02 -2.16 0.23 0.00 0.00 176.35 175.01 3ias s PRO 267 N -3.27 4.55 -0.15 1.29 0.04 -1.26 0.37 135.00 136.57 3ias s PRO 267 Ca -0.00 1.48 -0.41 0.00 0.04 0.00 0.00 61.00 62.12 3ias s PRO 267 Cb 0.01 -3.43 -0.18 0.00 0.04 0.00 0.00 34.50 30.94 3ias s PRO 267 CO -0.08 -0.06 1.44 -0.12 0.04 0.00 0.00 177.00 178.21 3ias n MET 268 N 3.80 0.64 0.00 4.56 1.56 -0.41 -1.57 117.12 125.70 3ias n MET 268 Ca 0.06 0.23 0.00 0.00 -0.27 0.00 0.00 57.70 57.72 3ias n MET 268 Cb 0.50 -1.82 0.00 0.00 2.15 0.00 0.00 33.22 34.05 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 3.02 2.27 3.65 -5.12 0.00 -0.93 -3.65 105.19 104.43 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 -0.41 3.55 -2.38 2.61 -2.24 -0.61 -3.72 114.28 111.08 3ias n THR 270 Ca 0.00 -0.43 -0.33 0.00 -2.27 0.00 0.00 64.05 61.03 3ias n THR 270 Cb 0.00 -1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 66.99 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 -1.65 4.18 0.29 4.28 -4.23 -1.26 -2.25 115.64 115.00 3ias s THR 271 Ca 0.77 1.14 -0.01 0.00 -1.18 0.00 0.00 61.69 62.41 3ias s THR 271 Cb -0.37 -3.56 0.27 0.00 1.34 0.00 0.00 72.50 70.19 3ias s THR 271 CO 0.47 -0.51 1.92 -0.26 -0.54 0.00 0.00 174.62 175.70 3ias h PHE 272 N 1.03 1.07 -0.34 3.99 -1.00 -1.37 -2.32 116.94 118.00 3ias h PHE 272 Ca -0.48 0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.36 3ias h PHE 272 Cb 1.20 -0.36 -0.03 0.00 3.61 0.00 0.00 35.95 40.37 3ias h PHE 272 CO 0.61 0.59 0.15 -0.09 -1.61 0.00 0.00 178.31 177.97 3ias h ARG 273 N 1.08 0.31 -0.21 1.51 2.43 -0.61 0.20 114.38 119.10 3ias h ARG 273 Ca 0.37 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.57 3ias h ARG 273 Cb 0.10 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 3ias h ARG 273 CO -0.13 0.21 -0.05 1.49 -1.51 0.00 0.00 179.97 179.98 3ias h GLU 274 N 0.32 0.00 0.28 0.20 4.81 -1.69 0.26 114.58 118.76 3ias h GLU 274 Ca 0.15 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3ias h GLU 274 Cb 0.08 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3ias h GLU 274 CO -0.12 0.00 -0.13 1.25 -0.73 0.00 0.00 179.01 179.28 3ias h LEU 275 N 0.00 -0.32 -1.94 1.64 6.46 -1.13 0.09 115.31 120.12 3ias h LEU 275 Ca 0.10 -0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 3ias h LEU 275 Cb 0.15 0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.16 3ias h LEU 275 CO -0.21 -0.02 0.01 0.40 -0.62 0.00 0.00 178.44 178.00 3ias h ILE 276 N -0.62 1.02 0.00 4.05 2.04 -0.41 -2.18 117.51 121.41 3ias h ILE 276 Ca -0.04 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3ias h ILE 276 Cb 0.45 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3ias h ILE 276 CO 0.06 0.02 -0.42 -1.22 0.00 0.00 0.00 178.15 176.60 3ias n TYR 277 N -4.52 0.00 0.22 1.37 4.01 0.90 -0.75 117.16 118.39 3ias n TYR 277 Ca -0.02 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.55 3ias n TYR 277 Cb 0.10 -0.21 -0.08 0.00 -0.31 0.00 0.00 39.34 38.84 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 -0.42 -0.78 0.00 -0.72 4.39 -1.09 0.12 114.58 116.08 3ias h GLU 278 Ca 0.00 0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 3ias h GLU 278 Cb 0.42 0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3ias h GLU 278 CO 0.00 -0.52 -0.08 -1.49 -1.16 0.00 0.00 179.01 175.76 3ias h TRP 279 N -0.81 0.00 0.00 4.33 4.06 -1.60 -3.36 115.95 118.58 3ias h TRP 279 Ca -0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.93 3ias h TRP 279 Cb 0.74 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.90 3ias h TRP 279 CO -0.27 0.52 0.00 0.00 -3.56 0.00 0.00 178.44 175.13 3ias n ALA 280 N -2.77 1.85 -1.21 1.49 0.00 -0.82 -4.81 120.51 114.25 3ias n ALA 280 Ca -0.06 0.03 -0.05 0.00 0.00 0.00 0.00 53.44 53.36 3ias n ALA 280 Cb 0.26 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 3ias n ALA 280 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ias n GLY 281 N 0.41 0.69 0.41 0.00 0.00 0.02 0.15 105.19 106.87 3ias n GLY 281 Ca 0.03 -0.85 0.03 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.31 -2.97 3.52 -0.02 0.00 0.07 -4.47 105.19 99.01 3ias n GLY 282 Ca -0.05 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.80 -0.66 -0.00 1.61 0.02 -1.26 -1.50 135.00 129.40 3ias s PRO 283 Ca 0.00 0.92 0.06 0.00 0.02 0.00 0.00 61.00 62.00 3ias s PRO 283 Cb 0.00 -1.58 -0.08 0.00 0.02 0.00 0.00 34.50 32.87 3ias s PRO 283 CO 0.00 -3.57 0.21 1.28 -0.33 0.00 0.00 177.00 174.58 3ias n LEU 284 N -4.82 0.18 0.00 -5.54 4.77 -0.94 -4.63 117.00 106.02 3ias n LEU 284 Ca 0.04 -0.31 -0.32 0.00 -0.03 0.00 0.00 56.01 55.39 3ias n LEU 284 Cb 0.54 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 3ias n LEU 284 CO 0.56 0.04 -0.23 -0.62 -1.33 0.00 0.00 177.39 175.82 3ias n GLU 285 N -1.35 0.72 -2.99 3.23 -0.58 -1.26 -5.10 120.64 113.32 3ias n GLU 285 Ca 0.00 -3.73 -0.38 0.00 -0.42 0.00 0.00 57.16 52.63 3ias n GLU 285 Cb 0.12 1.16 -0.06 0.00 -0.57 0.00 0.00 31.44 32.09 3ias n GLU 285 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 3ias s PRO 286 N -3.82 4.47 0.11 3.49 0.02 -1.26 -5.03 135.00 132.98 3ias s PRO 286 Ca 0.04 1.10 0.05 0.00 0.02 0.00 0.00 61.00 62.20 3ias s PRO 286 Cb 0.00 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.42 3ias s PRO 286 CO 0.02 0.47 0.05 0.42 -0.33 0.00 0.00 177.00 177.64 3ias s ILE 287 N -1.34 4.24 -0.00 2.83 1.09 -1.26 -1.92 121.20 124.83 3ias s ILE 287 Ca 0.40 -0.99 0.00 0.00 -1.10 0.00 0.00 60.65 58.97 3ias s ILE 287 Cb -0.20 -3.07 -0.00 0.00 -1.06 0.00 0.00 42.46 38.13 3ias s ILE 287 CO 0.24 0.05 0.00 0.00 -0.10 0.00 0.00 174.94 175.13 3ias n GLN 288 N 0.27 2.88 -3.52 2.79 10.64 0.37 -4.68 117.38 126.14 3ias n GLN 288 Ca -0.09 -0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 54.93 3ias n GLN 288 Cb 0.53 -1.00 -0.05 0.00 -0.86 0.00 0.00 30.24 28.86 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 -2.00 -1.48 -0.07 2.61 0.00 -1.15 -0.92 121.76 118.75 3ias s ALA 289 Ca -0.00 0.69 -0.00 0.00 0.00 0.00 0.00 51.96 52.65 3ias s ALA 289 Cb 0.00 0.45 0.02 0.00 0.00 0.00 0.00 23.12 23.60 3ias s ALA 289 CO 0.00 -0.55 -0.03 0.96 0.00 0.00 0.00 175.76 176.13 3ias s ILE 290 N -2.59 0.57 -0.60 0.00 -4.36 0.81 -0.79 121.20 114.24 3ias s ILE 290 Ca -0.04 -0.06 -0.25 0.00 -0.26 0.00 0.00 60.65 60.03 3ias s ILE 290 Cb -0.01 -0.64 0.04 0.00 1.25 0.00 0.00 42.46 43.10 3ias s ILE 290 CO -0.03 0.27 1.03 -0.63 0.24 0.00 0.00 174.94 175.82 3ias s ILE 291 N 1.45 4.23 0.04 8.37 1.01 -0.28 -2.17 121.20 133.85 3ias s ILE 291 Ca -0.02 0.29 -0.25 0.00 0.00 0.00 0.00 60.65 60.67 3ias s ILE 291 Cb -0.13 -4.65 -0.14 0.00 0.01 0.00 0.00 42.46 37.56 3ias s ILE 291 CO -0.03 -1.31 1.32 1.55 0.00 0.00 0.00 174.94 176.47 3ias h PRO 292 N 9.49 -0.86 0.00 2.79 0.13 -1.86 -2.03 132.00 139.66 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 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3ias h PRO 292 CO 1.15 -0.57 0.00 0.41 -0.23 0.00 0.00 178.00 178.76 3ias n GLY 293 N -1.30 0.93 0.00 1.56 0.00 -1.23 -3.10 105.19 102.04 3ias n GLY 293 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.73 0.08 -0.02 0.00 -1.26 -1.53 105.19 108.18 3ias n GLY 294 Ca 0.00 -1.45 -0.07 0.00 0.00 0.00 0.00 46.02 44.50 3ias n GLY 294 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ias n SER 295 N 0.00 0.85 0.00 1.61 2.88 -1.19 -4.00 113.62 113.77 3ias n SER 295 Ca 0.00 0.40 0.01 0.00 -1.33 0.00 0.00 58.87 57.95 3ias n SER 295 Cb 0.00 -0.01 0.04 0.00 -0.75 0.00 0.00 64.21 63.49 3ias n SER 295 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3ias n SER 296 N -3.01 0.00 -4.70 -3.46 7.64 -1.26 -4.70 113.62 104.12 3ias n SER 296 Ca -0.16 -1.20 -0.34 0.00 1.01 0.00 0.00 58.87 58.18 3ias n SER 296 Cb 1.02 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 64.13 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 -2.00 4.37 0.20 0.44 -4.23 -1.26 -4.68 115.64 108.48 3ias s THR 297 Ca 0.02 -0.35 -0.31 0.00 -1.18 0.00 0.00 61.69 59.87 3ias s THR 297 Cb 0.01 -2.89 -0.10 0.00 1.34 0.00 0.00 72.50 70.85 3ias s THR 297 CO 0.02 0.51 1.55 -2.84 -0.54 0.00 0.00 174.62 173.32 3ias s PRO 298 N -1.19 4.21 0.73 3.99 0.02 -1.26 -4.63 135.00 136.86 3ias s PRO 298 Ca 0.16 2.38 -0.14 0.00 0.02 0.00 0.00 61.00 63.42 3ias s PRO 298 Cb -0.11 -3.13 0.04 0.00 0.02 0.00 0.00 34.50 31.31 3ias s PRO 298 CO 0.06 -0.58 1.17 -1.25 -0.33 0.00 0.00 177.00 176.08 3ias s PRO 299 N 0.70 2.21 0.12 5.54 0.04 -1.26 -4.59 135.00 137.76 3ias s PRO 299 Ca 0.68 1.63 0.08 0.00 0.04 0.00 0.00 61.00 63.43 3ias s PRO 299 Cb -0.44 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 3ias s PRO 299 CO 0.35 -1.75 -0.20 -0.51 0.04 0.00 0.00 177.00 174.93 3ias s LEU 300 N -5.22 2.35 0.56 -3.56 1.43 -0.92 -4.82 118.68 108.49 3ias s LEU 300 Ca 0.71 -0.75 -0.16 0.00 -1.03 0.00 0.00 54.13 52.90 3ias s LEU 300 Cb -0.26 -0.86 -0.06 0.00 0.03 0.00 0.00 46.19 45.04 3ias s LEU 300 CO 0.46 0.02 1.02 -2.84 0.23 0.00 0.00 176.35 175.24 3ias s PRO 301 N -2.23 3.63 -1.52 1.29 0.02 -1.26 -0.14 135.00 134.79 3ias s PRO 301 Ca 0.10 1.08 -0.10 0.00 0.02 0.00 0.00 61.00 62.10 3ias s PRO 301 Cb -0.08 -2.08 -0.01 0.00 0.02 0.00 0.00 34.50 32.34 3ias s PRO 301 CO 0.05 -0.55 2.68 0.34 -0.33 0.00 0.00 177.00 179.19 3ias n PHE 302 N -1.82 2.65 -3.37 6.54 7.35 -0.10 -4.70 117.46 124.01 3ias n PHE 302 Ca 0.08 -3.01 -0.19 0.00 -0.76 0.00 0.00 57.45 53.57 3ias n PHE 302 Cb 0.53 -2.34 -0.00 0.00 0.35 0.00 0.00 39.48 38.03 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 1.52 3.95 0.10 -2.13 -4.23 -1.26 -4.95 115.64 108.63 3ias s THR 303 Ca 0.62 -0.95 -0.26 0.00 -1.18 0.00 0.00 61.69 59.92 3ias s THR 303 Cb 0.17 -3.37 -0.11 0.00 1.34 0.00 0.00 72.50 70.53 3ias s THR 303 CO -0.07 -0.16 1.67 -0.33 -0.54 0.00 0.00 174.62 175.19 3ias h GLU 304 N 0.81 -0.37 -0.04 3.99 4.39 -2.00 -2.26 114.58 119.11 3ias h GLU 304 Ca -0.45 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.29 3ias h GLU 304 Cb 1.26 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.99 3ias h GLU 304 CO 0.52 -0.25 0.17 1.49 -1.16 0.00 0.00 179.01 179.79 3ias h GLU 305 N -0.38 0.00 0.01 2.33 4.81 -1.96 -1.61 114.58 117.78 3ias h GLU 305 Ca 0.01 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 3ias h GLU 305 Cb 0.37 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3ias h GLU 305 CO -0.07 0.00 -0.59 0.28 -0.73 0.00 0.00 179.01 177.91 3ias h VAL 306 N 0.00 1.41 -0.63 0.32 2.07 -1.76 -3.22 116.25 114.44 3ias h VAL 306 Ca 0.02 -2.30 0.18 0.00 0.82 0.00 0.00 66.70 65.42 3ias h VAL 306 Cb 0.36 2.91 -0.03 0.00 -1.52 0.00 0.00 31.29 33.02 3ias h VAL 306 CO -0.00 0.51 0.45 -0.07 0.02 0.00 0.00 177.57 178.48 3ias h LEU 307 N -0.93 0.02 -2.82 2.57 3.38 -0.82 -1.20 115.31 115.51 3ias h LEU 307 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3ias h LEU 307 Cb 1.18 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3ias h LEU 307 CO -0.07 0.01 0.00 0.47 0.09 0.00 0.00 178.44 178.94 3ias n ASP 308 N -4.36 4.32 -4.83 -0.43 8.00 -0.67 0.14 116.55 118.72 3ias n ASP 308 Ca 0.12 -2.40 -0.36 0.00 0.71 0.00 0.00 54.79 52.86 3ias n ASP 308 Cb 0.69 -0.55 -0.06 0.00 -0.02 0.00 0.00 41.12 41.18 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 -1.82 4.71 -0.07 -3.53 2.01 -0.45 -4.89 115.64 111.59 3ias s THR 309 Ca 0.46 1.07 -0.30 0.00 0.31 0.00 0.00 61.69 63.23 3ias s THR 309 Cb 0.30 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 3ias s THR 309 CO 0.22 0.26 1.13 -2.84 -0.69 0.00 0.00 174.62 172.70 3ias s PRO 310 N -1.87 4.38 -1.04 4.92 0.02 -1.26 -2.60 135.00 137.55 3ias s PRO 310 Ca 0.39 1.57 -0.23 0.00 0.02 0.00 0.00 61.00 62.75 3ias s PRO 310 Cb -0.16 -3.55 -0.04 0.00 0.02 0.00 0.00 34.50 30.77 3ias s PRO 310 CO 0.20 -0.39 1.88 -1.64 -0.33 0.00 0.00 177.00 176.72 3ias s MET 311 N 2.10 2.74 0.15 5.54 -1.94 -0.95 -4.19 119.30 122.75 3ias s MET 311 Ca 0.53 -0.79 -0.02 0.00 -1.71 0.00 0.00 55.69 53.70 3ias s MET 311 Cb -0.22 -5.19 -0.03 0.00 2.01 0.00 0.00 34.83 31.39 3ias s MET 311 CO 0.21 -3.38 0.11 -1.54 -0.01 0.00 0.00 175.02 170.41 3ias s SER 312 N 6.94 0.23 0.00 3.03 1.04 -1.26 -2.19 113.70 121.49 3ias s SER 312 Ca 0.66 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.89 3ias s SER 312 Cb -0.03 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.43 3ias s SER 312 CO 0.04 -0.79 0.73 -1.22 0.98 0.00 0.00 173.24 172.98 3ias n TYR 313 N -0.16 0.00 0.04 5.02 4.01 -1.26 -2.64 117.16 122.17 3ias n TYR 313 Ca -0.04 -0.36 0.00 0.00 -0.16 0.00 0.00 57.90 57.34 3ias n TYR 313 Cb 0.64 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 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 0.61 0.00 0.19 -0.72 0.28 -1.26 -4.68 120.64 115.07 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 0.38 0.00 1.43 0.00 0.00 31.44 33.61 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 0.13 -1.84 3.86 -1.78 -0.29 115.15 115.23 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 0.37 -1.48 -0.07 0.86 0.00 0.00 177.93 177.60 3ias h LEU 316 N 0.00 0.43 0.00 2.43 3.38 -1.67 -3.30 115.31 116.57 3ias h LEU 316 Ca -0.00 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.41 3ias h LEU 316 Cb 0.70 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3ias h LEU 316 CO 0.05 1.46 0.00 1.67 0.09 0.00 0.00 178.44 181.70 3ias n GLN 317 N -3.48 0.00 0.00 1.13 -0.06 -0.86 -1.93 117.38 112.18 3ias n GLN 317 Ca -0.15 0.69 0.00 0.00 -2.00 0.00 0.00 57.00 55.54 3ias n GLN 317 Cb 1.04 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.73 3ias n GLN 317 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3ias n ALA 318 N -2.37 2.11 -0.10 1.69 0.00 -0.17 -1.89 120.51 119.78 3ias n ALA 318 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ias n ALA 318 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 0.38 2.71 0.00 0.00 3.00 -0.81 -5.00 118.16 118.44 3ias n LYS 319 Ca 0.00 -1.41 0.00 0.00 -0.00 0.00 0.00 58.31 56.90 3ias n LYS 319 Cb 0.25 -0.95 0.00 0.00 0.00 0.00 0.00 35.03 34.33 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 -0.46 2.91 0.00 3.14 0.00 -0.79 -5.01 105.19 104.98 3ias n GLY 320 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 0.55 0.00 -3.64 1.61 2.88 -1.04 -4.88 113.62 109.10 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 4.69 0.12 -0.51 -1.46 0.23 -1.24 -4.08 119.30 117.05 3ias s MET 322 Ca 0.00 0.04 -0.21 0.00 -1.03 0.00 0.00 55.69 54.49 3ias s MET 322 Cb 0.00 0.06 0.04 0.00 -1.53 0.00 0.00 34.83 33.40 3ias s MET 322 CO 0.00 -0.03 0.74 -1.17 -2.03 0.00 0.00 175.02 172.53 3ias s LEU 323 N -0.85 4.55 0.00 0.18 0.20 -1.26 -3.57 118.68 117.93 3ias s LEU 323 Ca 0.07 -0.58 0.00 0.00 0.69 0.00 0.00 54.13 54.32 3ias s LEU 323 Cb -0.02 -2.65 0.00 0.00 -0.43 0.00 0.00 46.19 43.09 3ias s LEU 323 CO -0.08 -0.99 0.00 0.61 -0.29 0.00 0.00 176.35 175.60 3ias n GLY 324 N 5.12 1.76 1.80 7.98 0.00 -1.26 -4.69 105.19 115.90 3ias n GLY 324 Ca -0.02 0.00 0.08 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 2.59 -1.09 2.61 -2.24 -1.26 -3.81 114.28 111.08 3ias n THR 325 Ca 0.00 -1.40 -0.03 0.00 -2.27 0.00 0.00 64.05 60.35 3ias n THR 325 Cb 0.00 -0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 68.01 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 0.66 0.34 3.46 3.38 0.00 -1.26 -4.71 105.19 107.07 3ias n GLY 326 Ca 0.27 -0.02 -0.44 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.13 2.46 0.57 -0.02 0.00 -0.58 -2.16 107.32 105.45 3ias s GLY 327 Ca 0.00 -3.39 -0.21 0.00 0.00 0.00 0.00 44.72 41.12 3ias s GLY 327 CO 0.00 2.00 1.35 -0.62 0.00 0.00 0.00 173.10 175.84 3ias n VAL 328 N 4.50 4.09 -3.86 1.40 0.31 0.20 -4.52 118.33 120.45 3ias n VAL 328 Ca 0.36 -0.50 -0.23 0.00 -0.01 0.00 0.00 64.34 63.96 3ias n VAL 328 Cb 0.43 -1.64 -0.17 0.00 -0.91 0.00 0.00 33.84 31.54 3ias n VAL 328 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3ias s ILE 329 N -1.30 0.46 0.19 2.52 1.01 -0.76 -1.42 121.20 121.89 3ias s ILE 329 Ca 0.74 0.04 -0.14 0.00 0.00 0.00 0.00 60.65 61.29 3ias s ILE 329 Cb -0.41 -0.58 -0.07 0.00 0.01 0.00 0.00 42.46 41.41 3ias s ILE 329 CO 0.47 0.26 0.59 -0.76 0.00 0.00 0.00 174.94 175.50 3ias s LEU 330 N 1.72 4.28 -0.11 2.97 1.43 -0.93 -1.12 118.68 126.91 3ias s LEU 330 Ca 0.01 1.11 0.01 0.00 -1.03 0.00 0.00 54.13 54.23 3ias s LEU 330 Cb -0.13 -3.47 0.02 0.00 0.03 0.00 0.00 46.19 42.64 3ias s LEU 330 CO -0.04 0.03 -0.11 -0.63 0.23 0.00 0.00 176.35 175.83 3ias s ILE 331 N -1.59 1.20 0.45 -0.59 1.01 0.02 -4.40 121.20 117.30 3ias s ILE 331 Ca 0.42 -0.43 -0.21 0.00 0.00 0.00 0.00 60.65 60.43 3ias s ILE 331 Cb -0.14 -1.16 -0.10 0.00 0.01 0.00 0.00 42.46 41.07 3ias s ILE 331 CO 0.20 0.39 0.98 -2.16 0.00 0.00 0.00 174.94 174.34 3ias s PRO 332 N 1.37 4.10 0.25 2.79 0.04 -1.26 -0.48 135.00 141.82 3ias s PRO 332 Ca -0.00 1.20 0.20 0.00 0.04 0.00 0.00 61.00 62.43 3ias s PRO 332 Cb -0.14 -2.16 0.98 0.00 0.04 0.00 0.00 34.50 33.22 3ias s PRO 332 CO -0.05 -0.15 1.62 0.39 0.04 0.00 0.00 177.00 178.85 3ias n GLU 333 N -0.72 0.14 0.00 4.56 1.02 -0.81 -2.26 120.64 122.57 3ias n GLU 333 Ca 0.08 0.52 0.14 0.00 -0.02 0.00 0.00 57.16 57.87 3ias n GLU 333 Cb 0.53 -1.87 0.65 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 -2.15 0.18 -4.93 3.49 0.63 -1.26 -4.67 116.66 107.95 3ias n ARG 334 Ca 0.00 0.02 -0.28 0.00 -0.92 0.00 0.00 57.85 56.67 3ias n ARG 334 Cb 0.12 -1.50 -0.16 0.00 0.45 0.00 0.00 32.46 31.36 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 -2.81 1.59 0.18 5.15 1.01 -0.96 -4.58 120.40 119.99 3ias s VAL 335 Ca 0.20 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 3ias s VAL 335 Cb 0.19 -1.38 -0.08 0.00 0.00 0.00 0.00 36.38 35.11 3ias s VAL 335 CO 0.48 0.45 1.21 -0.55 0.00 0.00 0.00 175.10 176.70 3ias s SER 336 N 0.16 7.06 0.43 3.32 0.15 -1.26 -4.81 113.70 118.75 3ias s SER 336 Ca -0.08 2.25 0.18 0.00 0.70 0.00 0.00 55.95 59.00 3ias s SER 336 Cb -0.14 -2.61 1.11 0.00 -1.71 0.00 0.00 66.02 62.68 3ias s SER 336 CO 0.04 -0.40 1.87 0.24 1.20 0.00 0.00 173.24 176.19 3ias h MET 337 N 5.35 0.36 0.07 5.44 2.86 -1.94 0.13 114.93 127.20 3ias h MET 337 Ca -0.44 -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 0.24 -0.03 0.28 1.06 0.00 0.00 176.91 179.21 3ias h VAL 338 N 0.37 1.04 -1.04 -2.22 2.07 -1.90 -2.05 116.25 112.52 3ias h VAL 338 Ca 0.45 -0.36 0.28 0.00 0.82 0.00 0.00 66.70 67.88 3ias h VAL 338 Cb 1.16 1.27 -0.08 0.00 -1.52 0.00 0.00 31.29 32.13 3ias h VAL 338 CO -0.15 0.09 0.70 -0.78 0.02 0.00 0.00 177.57 177.44 3ias h ASP 339 N -0.26 0.30 -0.08 0.57 3.58 -1.16 0.42 116.42 119.80 3ias h ASP 339 Ca -0.01 0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.39 3ias h ASP 339 Cb 0.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.28 3ias h ASP 339 CO 0.02 0.07 -0.36 0.00 -2.88 0.00 0.00 179.24 176.08 3ias h ALA 340 N 1.57 0.15 -0.23 -0.78 0.00 -0.76 -2.60 119.26 116.62 3ias h ALA 340 Ca 0.56 -0.45 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 3ias h ALA 340 Cb 1.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3ias h ALA 340 CO -0.19 0.23 -0.65 0.52 0.00 0.00 0.00 179.25 179.16 3ias h MET 341 N -0.08 0.84 -0.92 0.00 2.86 -0.52 -1.53 114.93 115.57 3ias h MET 341 Ca -0.02 -0.60 0.21 0.00 -2.06 0.00 0.00 59.70 57.23 3ias h MET 341 Cb 1.00 0.10 -0.17 0.00 0.06 0.00 0.00 31.60 32.59 3ias h MET 341 CO 0.07 1.22 -0.13 1.87 1.06 0.00 0.00 176.91 181.00 3ias n TRP 342 N -3.97 0.43 0.20 -0.22 -0.00 0.13 -0.34 117.44 113.67 3ias n TRP 342 Ca -0.06 1.11 -0.09 0.00 -0.00 0.00 0.00 57.50 58.47 3ias n TRP 342 Cb 0.68 -1.09 -0.04 0.00 -0.00 0.00 0.00 31.31 30.86 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 -0.48 -0.76 5.87 -0.73 -1.11 -2.75 115.58 115.62 3ias h ASN 343 Ca 0.49 0.02 0.17 0.00 1.87 0.00 0.00 56.30 58.84 3ias h ASN 343 Cb 0.86 0.13 -0.12 0.00 0.27 0.00 0.00 38.32 39.45 3ias h ASN 343 CO -0.91 -0.13 0.16 -0.07 -0.37 0.00 0.00 177.43 176.11 3ias h LEU 344 N -1.01 -0.04 -0.29 0.34 3.38 -0.38 -0.82 115.31 116.50 3ias h LEU 344 Ca -0.06 0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3ias h LEU 344 Cb 0.44 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3ias h LEU 344 CO 0.10 -0.07 -0.26 0.71 0.09 0.00 0.00 178.44 179.00 3ias h THR 345 N 0.24 1.30 -0.17 0.22 1.35 -0.80 -1.93 112.91 113.12 3ias h THR 345 Ca 0.43 -1.42 0.05 0.00 -0.55 0.00 0.00 66.41 64.92 3ias h THR 345 Cb 0.76 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.75 3ias h THR 345 CO -0.55 0.45 0.19 0.08 -0.25 0.00 0.00 175.52 175.45 3ias h ARG 346 N 0.42 0.00 0.63 4.72 0.11 -0.90 0.33 114.38 119.69 3ias h ARG 346 Ca 0.05 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.10 3ias h ARG 346 Cb 0.82 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.91 3ias h ARG 346 CO 0.07 0.00 -0.30 0.35 0.10 0.00 0.00 179.97 180.18 3ias h PHE 347 N 0.00 -0.79 -0.63 4.08 3.57 -0.46 -1.89 116.94 120.82 3ias h PHE 347 Ca 0.08 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.68 3ias h PHE 347 Cb 0.47 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 3ias h PHE 347 CO 0.00 -0.49 0.42 1.88 -2.23 0.00 0.00 178.31 177.89 3ias h TYR 348 N -1.15 0.40 -0.46 0.41 0.05 -0.56 0.25 116.97 115.91 3ias h TYR 348 Ca -0.09 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.65 3ias h TYR 348 Cb 0.65 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 3ias h TYR 348 CO 0.01 0.18 0.09 0.00 -1.05 0.00 0.00 178.16 177.39 3ias h ALA 349 N 1.69 0.61 -0.05 3.88 0.00 -0.40 0.58 119.26 125.56 3ias h ALA 349 Ca 0.30 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 3ias h ALA 349 Cb 0.67 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3ias h ALA 349 CO -0.08 0.32 -0.61 1.25 0.00 0.00 0.00 179.25 180.13 3ias h HIS 350 N 0.62 0.24 -0.05 0.00 -0.00 -0.28 -3.23 115.15 112.46 3ias h HIS 350 Ca 0.14 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 3ias h HIS 350 Cb 0.36 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.73 3ias h HIS 350 CO 0.02 0.74 0.00 0.39 -0.00 0.00 0.00 177.93 179.09 3ias n GLU 351 N -3.86 1.77 -1.94 5.26 -0.58 0.73 -4.92 120.64 117.11 3ias n GLU 351 Ca -0.02 -1.13 -0.34 0.00 -0.42 0.00 0.00 57.16 55.25 3ias n GLU 351 Cb 0.61 -1.46 0.03 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 -1.92 5.23 -0.05 1.62 0.15 0.13 -4.37 113.70 114.50 3ias s SER 352 Ca 0.36 2.16 0.06 0.00 0.70 0.00 0.00 55.95 59.23 3ias s SER 352 Cb 0.20 -2.57 -0.24 0.00 -1.71 0.00 0.00 66.02 61.70 3ias s SER 352 CO 0.32 -1.55 0.63 0.00 1.20 0.00 0.00 173.24 173.84 3ias n GLY 354 N 1.67 1.39 0.13 0.00 0.00 -1.26 -5.02 105.19 102.11 3ias n GLY 354 Ca -0.20 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.60 0.66 -3.10 1.61 4.81 -1.26 -4.97 118.16 115.31 3ias n LYS 355 Ca 0.00 0.22 -0.39 0.00 -0.87 0.00 0.00 58.31 57.27 3ias n LYS 355 Cb 0.09 -1.58 -0.06 0.00 0.02 0.00 0.00 35.03 33.51 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 3.44 0.72 -0.44 0.00 2.02 -1.98 -0.63 112.91 116.04 3ias h THR 357 Ca -0.48 -0.22 0.13 0.00 0.77 0.00 0.00 66.41 66.60 3ias h THR 357 Cb 1.21 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 3ias h THR 357 CO 0.65 0.05 0.42 1.55 0.37 0.00 0.00 175.52 178.55 3ias h PRO 358 N -0.54 0.00 0.00 6.66 0.13 -1.94 -1.39 132.00 134.93 3ias h PRO 358 Ca -0.04 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.80 3ias h PRO 358 Cb 0.40 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.48 3ias h PRO 358 CO 0.07 0.00 -1.92 0.00 -0.23 0.00 0.00 178.00 175.92 3ias h ARG 360 N -0.85 -0.03 0.07 0.00 2.43 -1.01 -1.52 114.38 113.47 3ias h ARG 360 Ca -0.44 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.37 3ias h ARG 360 Cb 1.34 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.86 3ias h ARG 360 CO -0.27 -0.02 -2.08 0.39 -1.51 0.00 0.00 179.97 176.48 3ias n GLU 361 N -5.31 0.70 0.00 0.20 -0.58 -0.55 -3.50 120.64 111.59 3ias n GLU 361 Ca 0.02 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 3ias n GLU 361 Cb 0.23 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 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 1.97 -2.58 0.15 0.62 0.00 -0.86 -1.02 105.19 103.46 3ias n GLY 362 Ca -0.37 0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 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 1.41 0.00 1.61 -1.51 -1.25 -1.01 116.25 115.51 3ias h VAL 363 Ca 0.00 -2.10 0.00 0.00 -1.23 0.00 0.00 66.70 63.37 3ias h VAL 363 Cb 0.00 2.58 0.00 0.00 -2.13 0.00 0.00 31.29 31.74 3ias h VAL 363 CO 0.00 0.61 -0.12 0.00 -1.23 0.00 0.00 177.57 176.83 3ias n ALA 364 N -2.59 2.57 -0.12 5.19 0.00 -0.63 -2.15 120.51 122.79 3ias n ALA 364 Ca -0.10 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3ias n ALA 364 Cb 0.69 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.14 0.00 0.00 0.00 -0.30 -4.77 105.19 101.45 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 -2.35 0.00 -0.10 1.61 -0.00 -0.19 -3.57 117.46 112.86 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 0.00 -0.10 -0.02 0.00 -0.00 0.00 0.00 39.48 39.35 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 -0.81 -0.10 -0.22 -4.13 2.81 -0.42 -1.12 117.12 113.13 3ias n MET 367 Ca 0.00 0.70 0.02 0.00 -1.81 0.00 0.00 57.70 56.62 3ias n MET 367 Cb 0.00 -1.05 0.13 0.00 -0.71 0.00 0.00 33.22 31.60 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 0.61 -0.70 2.03 3.04 -1.62 -0.61 116.25 119.00 3ias h VAL 368 Ca 0.04 -0.10 0.02 0.00 -1.01 0.00 0.00 66.70 65.65 3ias h VAL 368 Cb 0.10 0.30 -0.04 0.00 -2.01 0.00 0.00 31.29 29.64 3ias h VAL 368 CO -0.22 0.05 0.47 0.78 -1.01 0.00 0.00 177.57 177.64 3ias h ASN 369 N 0.28 0.76 0.58 3.17 2.35 -1.17 -2.33 115.58 119.23 3ias h ASN 369 Ca 0.35 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 56.07 3ias h ASN 369 Cb 0.54 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 3ias h ASN 369 CO -0.43 0.54 -0.49 -0.07 -1.65 0.00 0.00 177.43 175.32 3ias h LEU 370 N 0.89 -1.32 -0.86 1.61 -0.00 -0.64 -0.97 115.31 114.02 3ias h LEU 370 Ca 0.27 0.10 0.22 0.00 -0.00 0.00 0.00 57.88 58.47 3ias h LEU 370 Cb -0.01 0.42 -0.13 0.00 -0.00 0.00 0.00 40.66 40.94 3ias h LEU 370 CO -0.07 -0.69 0.26 -0.26 -0.00 0.00 0.00 178.44 177.68 3ias h PHE 371 N -1.05 0.40 0.46 1.13 0.04 -1.26 0.15 116.94 116.80 3ias h PHE 371 Ca -0.07 0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 3ias h PHE 371 Cb 0.89 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.98 3ias h PHE 371 CO -0.21 -0.16 -0.42 0.00 -0.60 0.00 0.00 178.31 176.92 3ias h ALA 372 N 1.75 -0.95 -0.00 2.45 0.00 -0.85 0.63 119.26 122.28 3ias h ALA 372 Ca 0.54 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3ias h ALA 372 Cb 1.05 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 3ias h ALA 372 CO -0.61 -1.07 -0.05 -0.22 0.00 0.00 0.00 179.25 177.30 3ias h LYS 373 N -0.89 -0.05 -0.31 0.00 3.64 0.24 -1.63 116.57 117.57 3ias h LYS 373 Ca -0.05 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.43 3ias h LYS 373 Cb 0.78 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 3ias h LYS 373 CO -0.04 -0.04 0.27 0.97 -2.27 0.00 0.00 179.45 178.34 3ias h ILE 374 N -0.05 0.60 -0.45 2.00 2.10 -0.72 -0.74 117.51 120.25 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 0.06 0.80 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 -1.51 1.24 0.34 8.18 0.00 0.22 -3.11 105.19 110.55 3ias n GLY 375 Ca 0.05 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.60 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 0.93 1.83 -1.98 2.61 -1.04 -0.33 -2.80 114.28 113.50 3ias n THR 376 Ca 0.17 -1.91 -0.17 0.00 -2.04 0.00 0.00 64.05 60.10 3ias n THR 376 Cb 0.42 -0.10 -0.04 0.00 -1.82 0.00 0.00 70.33 68.79 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 -0.92 0.51 0.81 3.41 0.00 -1.18 -4.27 105.19 103.54 3ias n GLY 377 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.54 2.09 -3.58 1.61 1.13 -0.90 -4.29 117.38 110.89 3ias n GLN 378 Ca -0.19 -1.61 -0.28 0.00 -1.94 0.00 0.00 57.00 52.99 3ias n GLN 378 Cb 0.61 -1.46 -0.03 0.00 0.11 0.00 0.00 30.24 29.46 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 -1.77 1.82 0.44 1.08 0.00 -1.21 -4.79 107.32 102.88 3ias s GLY 379 Ca 0.34 -0.73 0.07 0.00 0.00 0.00 0.00 44.72 44.39 3ias s GLY 379 CO 0.30 -0.67 0.21 -0.54 0.00 0.00 0.00 173.10 172.41 3ias s GLU 380 N -3.39 2.25 0.43 2.90 8.01 -1.26 -4.56 118.70 123.08 3ias s GLU 380 Ca 0.40 -1.89 0.18 0.00 0.01 0.00 0.00 54.97 53.67 3ias s GLU 380 Cb -0.11 -1.99 1.11 0.00 -4.31 0.00 0.00 34.13 28.83 3ias s GLU 380 CO 0.29 -0.21 1.88 1.49 0.01 0.00 0.00 175.26 178.72 3ias h GLU 381 N 1.30 0.36 -0.10 1.61 4.81 -1.93 -1.42 114.58 119.22 3ias h GLU 381 Ca -0.42 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 58.82 3ias h GLU 381 Cb 1.27 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 3ias h GLU 381 CO 0.68 0.24 -0.10 0.87 -0.73 0.00 0.00 179.01 179.97 3ias h LYS 382 N 0.38 -0.12 -0.63 1.92 1.57 -2.00 -2.73 116.57 114.94 3ias h LYS 382 Ca 0.44 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.35 3ias h LYS 382 Cb 1.11 0.03 -0.12 0.00 0.08 0.00 0.00 32.23 33.33 3ias h LYS 382 CO -0.15 -0.08 -0.13 -0.44 -0.57 0.00 0.00 179.45 178.08 3ias h ASP 383 N -0.13 -0.54 -0.22 0.86 3.32 -1.65 -0.66 116.42 117.40 3ias h ASP 383 Ca 0.07 0.19 0.05 0.00 0.02 0.00 0.00 57.03 57.36 3ias h ASP 383 Cb 0.23 0.38 -0.06 0.00 0.22 0.00 0.00 39.33 40.10 3ias h ASP 383 CO -0.18 -0.20 -0.15 0.58 -1.72 0.00 0.00 179.24 177.57 3ias h VAL 384 N 0.02 0.57 -0.81 -1.35 2.07 -1.53 -1.74 116.25 113.47 3ias h VAL 384 Ca 0.31 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.98 3ias h VAL 384 Cb 0.48 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 3ias h VAL 384 CO -0.64 0.00 0.54 -0.33 0.02 0.00 0.00 177.57 177.16 3ias h GLU 385 N -0.15 0.49 -0.01 1.57 5.08 -0.98 -0.79 114.58 119.79 3ias h GLU 385 Ca 0.13 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3ias h GLU 385 Cb 0.33 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3ias h GLU 385 CO -0.31 0.33 -0.06 -0.91 -1.00 0.00 0.00 179.01 177.06 3ias h ASN 386 N 0.51 0.07 -0.99 1.42 2.35 -0.88 -1.31 115.58 116.74 3ias h ASN 386 Ca 0.40 -0.71 0.21 0.00 -0.55 0.00 0.00 56.30 55.66 3ias h ASN 386 Cb 0.83 -0.02 -0.09 0.00 0.05 0.00 0.00 38.32 39.09 3ias h ASN 386 CO -0.15 0.76 0.62 0.25 -1.65 0.00 0.00 177.43 177.26 3ias h LEU 387 N -0.63 0.61 -0.36 1.61 5.85 -0.97 0.32 115.31 121.75 3ias h LEU 387 Ca -0.01 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3ias h LEU 387 Cb 0.76 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 3ias h LEU 387 CO 0.01 0.20 0.14 -0.08 -0.34 0.00 0.00 178.44 178.38 3ias h GLU 388 N 0.59 0.53 0.00 1.25 4.57 -1.05 -3.16 114.58 117.32 3ias h GLU 388 Ca 0.56 -0.10 -0.14 0.00 -1.18 0.00 0.00 59.36 58.50 3ias h GLU 388 Cb 1.11 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.59 3ias h GLU 388 CO -0.32 0.52 -0.68 0.00 -1.18 0.00 0.00 179.01 177.35 3ias h ALA 389 N 0.99 0.84 -0.60 2.92 0.00 0.67 -3.21 119.26 120.87 3ias h ALA 389 Ca 0.12 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 3ias h ALA 389 Cb 0.18 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3ias h ALA 389 CO -0.01 0.85 0.17 -0.07 0.00 0.00 0.00 179.25 180.19 3ias h LEU 390 N 0.00 0.85 -0.23 0.00 3.38 -0.56 -3.31 115.31 115.44 3ias h LEU 390 Ca -0.01 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.85 3ias h LEU 390 Cb 1.23 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 3ias h LEU 390 CO 0.09 0.81 -0.44 -0.07 0.09 0.00 0.00 178.44 178.92 3ias h LEU 391 N 0.88 -1.43 -1.42 1.67 3.38 -1.58 -0.74 115.31 116.07 3ias h LEU 391 Ca 0.20 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3ias h LEU 391 Cb 0.28 0.58 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3ias h LEU 391 CO -0.01 -0.35 0.00 -0.81 0.09 0.00 0.00 178.44 177.37 3ias n PRO 392 N -4.82 0.15 0.21 1.13 -0.04 -1.24 -1.37 135.00 129.01 3ias n PRO 392 Ca -0.04 0.62 0.12 0.00 -0.04 0.00 0.00 63.50 64.17 3ias n PRO 392 Cb 0.28 -1.97 0.17 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.27 -3.38 115.31 115.57 3ias h LEU 393 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ias h LEU 393 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3ias h LEU 393 CO 0.00 0.00 -0.57 -0.38 0.09 0.00 0.00 178.44 177.58 3ias n ILE 394 N -3.02 1.22 -0.26 1.22 5.41 -0.58 -4.64 119.36 118.71 3ias n ILE 394 Ca 0.04 0.25 -0.02 0.00 1.00 0.00 0.00 62.75 64.01 3ias n ILE 394 Cb 0.53 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 37.47 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 -3.91 -0.19 0.00 0.38 2.13 -0.47 -1.22 120.64 117.36 3ias n GLU 395 Ca -0.08 0.99 0.00 0.00 0.66 0.00 0.00 57.16 58.73 3ias n GLU 395 Cb 0.30 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.53 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 -1.27 -2.91 3.13 8.31 0.00 -1.26 -4.59 105.19 106.60 3ias n GLY 396 Ca 0.05 0.32 -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 -2.55 2.38 0.00 1.61 3.00 -0.35 -5.03 118.95 118.00 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 -3.03 0.00 0.00 0.00 0.00 0.00 34.95 31.92 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 0.80 -0.10 0.23 7.64 -1.26 -4.80 113.62 120.67 3ias n SER 398 Ca -0.14 -0.51 -0.21 0.00 1.01 0.00 0.00 58.87 59.02 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 0.31 -4.50 1.43 7.35 -1.26 -4.99 117.46 115.80 3ias n PHE 399 Ca 0.00 0.08 -0.24 0.00 -0.76 0.00 0.00 57.45 56.53 3ias n PHE 399 Cb 0.00 -1.04 -0.11 0.00 0.35 0.00 0.00 39.48 38.69 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 -0.73 0.53 0.08 0.00 -0.02 -1.26 -3.78 135.00 129.83 3ias n PRO 401 Ca -0.05 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.30 3ias n PRO 401 Cb 0.65 -1.45 -0.07 0.00 -0.02 0.00 0.00 33.50 32.60 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 -0.10 -0.66 2.45 6.46 -1.99 -1.02 115.31 120.45 3ias h LEU 402 Ca 0.00 0.00 0.08 0.00 -0.12 0.00 0.00 57.88 57.84 3ias h LEU 402 Cb 0.00 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 39.89 3ias h LEU 402 CO 0.00 -0.07 0.33 0.00 -0.62 0.00 0.00 178.44 178.08 3ias h ALA 403 N 0.79 0.89 -0.75 1.25 0.00 -1.98 0.17 119.26 119.63 3ias h ALA 403 Ca -0.01 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.09 3ias h ALA 403 Cb 0.09 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.73 3ias h ALA 403 CO 0.02 -0.05 0.29 -0.44 0.00 0.00 0.00 179.25 179.06 3ias h ASP 404 N 0.58 0.25 0.06 0.00 5.19 -1.68 0.16 116.42 120.97 3ias h ASP 404 Ca 0.32 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.83 3ias h ASP 404 Cb 0.30 0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.90 3ias h ASP 404 CO -0.24 0.09 -0.05 0.00 -3.12 0.00 0.00 179.24 175.91 3ias h ALA 405 N 1.55 1.88 0.00 3.45 0.00 0.62 -1.03 119.26 125.73 3ias h ALA 405 Ca 0.41 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 3ias h ALA 405 Cb 0.64 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3ias h ALA 405 CO -0.42 0.07 -0.85 0.00 0.00 0.00 0.00 179.25 178.05 3ias h ALA 406 N 1.95 0.65 0.04 0.00 0.00 0.31 -3.37 119.26 118.84 3ias h ALA 406 Ca -0.00 -0.59 -0.33 0.00 0.00 0.00 0.00 54.91 53.99 3ias h ALA 406 Cb 0.10 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3ias h ALA 406 CO 0.01 0.72 -1.92 1.33 0.00 0.00 0.00 179.25 179.39 3ias n VAL 407 N -3.09 1.64 0.30 0.00 0.24 -0.52 -4.11 118.33 112.79 3ias n VAL 407 Ca -0.02 -0.74 -0.17 0.00 -2.04 0.00 0.00 64.34 61.36 3ias n VAL 407 Cb 0.77 -1.23 -0.09 0.00 -1.47 0.00 0.00 33.84 31.82 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 0.02 -1.30 -0.08 6.34 6.55 -1.37 0.37 115.95 126.48 3ias h TRP 408 Ca -0.37 0.01 0.02 0.00 0.95 0.00 0.00 58.89 59.49 3ias h TRP 408 Cb 2.04 0.50 -0.00 0.00 -0.86 0.00 0.00 29.16 30.83 3ias h TRP 408 CO 0.03 -0.64 0.09 -1.00 -1.05 0.00 0.00 178.44 175.86 3ias h PRO 409 N -0.98 0.00 0.12 0.49 0.13 -1.78 0.77 132.00 130.74 3ias h PRO 409 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 3ias h PRO 409 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3ias h PRO 409 CO -0.03 0.00 -0.06 0.28 -0.23 0.00 0.00 178.00 177.97 3ias h VAL 410 N 0.00 0.71 -0.96 1.56 2.07 -1.60 -1.50 116.25 116.53 3ias h VAL 410 Ca 0.04 -1.26 0.20 0.00 0.82 0.00 0.00 66.70 66.50 3ias h VAL 410 Cb 0.22 1.26 -0.18 0.00 -1.52 0.00 0.00 31.29 31.08 3ias h VAL 410 CO -0.00 0.21 -0.19 0.50 0.02 0.00 0.00 177.57 178.11 3ias h LYS 411 N -0.95 0.00 -0.68 1.57 3.64 0.80 0.34 116.57 121.29 3ias h LYS 411 Ca -0.02 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 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 0.00 0.20 0.78 -2.27 0.00 0.00 179.45 178.19 3ias h GLY 412 N 0.00 1.15 1.83 5.01 0.00 0.46 -2.23 103.07 109.30 3ias h GLY 412 Ca 0.48 -0.70 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 3ias h GLY 412 CO -0.97 0.65 -0.29 1.48 0.00 0.00 0.00 176.54 177.41 3ias h SER 413 N 1.01 0.20 -0.20 0.19 4.64 0.72 -2.45 113.55 117.65 3ias h SER 413 Ca 0.22 -0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 61.36 3ias h SER 413 Cb 0.32 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3ias h SER 413 CO -0.00 0.49 -0.31 -0.07 -0.87 0.00 0.00 176.83 176.07 3ias h LEU 414 N 0.18 0.63 -1.53 5.97 4.07 -0.91 0.13 115.31 123.85 3ias h LEU 414 Ca 0.03 -0.52 0.18 0.00 0.08 0.00 0.00 57.88 57.64 3ias h LEU 414 Cb 0.61 -0.18 -0.06 0.00 1.08 0.00 0.00 40.66 42.11 3ias h LEU 414 CO 0.04 1.03 0.55 -0.09 -1.08 0.00 0.00 178.44 178.90 3ias h ARG 415 N 0.25 0.42 -0.00 1.13 2.43 -0.93 -0.85 114.38 116.83 3ias h ARG 415 Ca 0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3ias h ARG 415 Cb 0.89 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3ias h ARG 415 CO 0.07 0.28 -0.30 0.72 -1.51 0.00 0.00 179.97 179.23 3ias n HIS 416 N -4.50 0.00 -2.02 2.20 8.25 -1.10 -4.73 115.22 113.32 3ias n HIS 416 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 3ias n HIS 416 Cb 0.61 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.72 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 -0.97 0.00 -0.32 4.41 3.01 0.44 -4.89 117.46 119.14 3ias n PHE 417 Ca 0.02 -0.02 0.20 0.00 1.01 0.00 0.00 57.45 58.65 3ias n PHE 417 Cb 0.12 -0.02 0.40 0.00 -0.01 0.00 0.00 39.48 39.97 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 0.04 0.17 -0.95 -1.08 3.64 -1.24 0.75 116.57 117.90 3ias h LYS 418 Ca -0.01 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.43 3ias h LYS 418 Cb 1.38 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 33.10 3ias h LYS 418 CO 0.00 0.11 0.61 0.38 -2.27 0.00 0.00 179.45 178.29 3ias h ASP 419 N 0.18 0.94 0.29 4.20 2.03 -1.90 0.16 116.42 122.32 3ias h ASP 419 Ca 0.67 0.01 -0.03 0.00 -0.73 0.00 0.00 57.03 56.95 3ias h ASP 419 Cb 1.50 -0.19 -0.00 0.00 -0.83 0.00 0.00 39.33 39.81 3ias h ASP 419 CO -0.70 0.59 -0.13 -0.61 -1.03 0.00 0.00 179.24 177.35 3ias h GLN 420 N 1.06 0.00 0.07 4.15 4.15 0.14 -0.83 115.11 123.85 3ias h GLN 420 Ca 0.42 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.73 3ias h GLN 420 Cb 0.25 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.95 3ias h GLN 420 CO -0.17 0.13 -0.47 1.88 -1.93 0.00 0.00 178.83 178.27 3ias h TYR 421 N 0.00 0.34 -0.08 3.99 -1.99 -0.93 -3.29 116.97 114.99 3ias h TYR 421 Ca -0.00 -0.24 -0.03 0.00 2.00 0.00 0.00 58.73 60.46 3ias h TYR 421 Cb 0.31 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.02 3ias h TYR 421 CO 0.00 1.16 -0.08 -0.07 -0.00 0.00 0.00 178.16 179.17 3ias h LEU 422 N -0.58 0.11 0.62 3.88 3.38 -1.06 -2.88 115.31 118.79 3ias h LEU 422 Ca -0.08 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3ias h LEU 422 Cb 1.34 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3ias h LEU 422 CO 0.09 0.22 -0.35 0.00 0.09 0.00 0.00 178.44 178.49 3ias h ALA 423 N 1.80 -1.20 -0.04 1.53 0.00 -1.23 0.43 119.26 120.54 3ias h ALA 423 Ca 0.03 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3ias h ALA 423 Cb 0.23 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3ias h ALA 423 CO 0.01 -1.16 0.09 -0.07 0.00 0.00 0.00 179.25 178.12 3ias h LEU 424 N -0.90 0.00 0.00 0.00 4.07 -1.61 -0.80 115.31 116.07 3ias h LEU 424 Ca -0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.88 3ias h LEU 424 Cb 0.71 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.45 3ias h LEU 424 CO 0.11 0.00 -0.03 0.00 -1.08 0.00 0.00 178.44 177.44 3ias h ALA 425 N 1.87 0.00 -0.31 1.53 0.00 -1.30 -2.68 119.26 118.37 3ias h ALA 425 Ca 0.02 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.98 3ias h ALA 425 Cb 0.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3ias h ALA 425 CO -0.00 0.03 0.51 0.00 0.00 0.00 0.00 179.25 179.78 3ias h ARG 426 N -0.45 0.00 -0.09 0.00 3.08 0.11 -0.99 114.38 116.03 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 -3.33 1.11 -3.94 0.04 1.02 -0.33 -4.99 120.64 110.23 3ias n GLU 427 Ca 0.05 -1.30 -0.32 0.00 -0.02 0.00 0.00 57.16 55.58 3ias n GLU 427 Cb 0.64 -1.16 -0.01 0.00 -0.02 0.00 0.00 31.44 30.89 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 0.35 -3.54 -4.21 3.49 4.76 -0.38 -4.96 118.16 113.67 3ias n LYS 428 Ca 0.06 0.42 -0.35 0.00 -2.87 0.00 0.00 58.31 55.57 3ias n LYS 428 Cb 0.26 -5.17 -0.10 0.00 -1.84 0.00 0.00 35.03 28.18 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 -6.63 3.50 1.18 1.97 0.52 -1.03 -4.68 118.95 113.78 3ias s ARG 429 Ca 0.64 -0.38 -0.17 0.00 -0.52 0.00 0.00 55.73 55.30 3ias s ARG 429 Cb -0.34 -3.00 0.28 0.00 0.52 0.00 0.00 34.95 32.40 3ias s ARG 429 CO 0.79 0.47 1.06 -1.25 0.02 0.00 0.00 175.30 176.39 3ias s PRO 430 N -0.22 -1.04 0.51 3.54 0.04 -1.26 -3.48 135.00 133.09 3ias s PRO 430 Ca 0.06 0.29 -0.21 0.00 0.04 0.00 0.00 61.00 61.19 3ias s PRO 430 Cb -0.12 -1.59 -0.07 0.00 0.04 0.00 0.00 34.50 32.77 3ias s PRO 430 CO 0.02 -3.67 1.13 0.14 0.04 0.00 0.00 177.00 174.66 3ias s VAL 431 N -2.76 3.22 0.49 -0.36 -7.23 -1.12 -4.80 120.40 107.83 3ias s VAL 431 Ca 0.68 0.81 -0.23 0.00 -1.81 0.00 0.00 61.98 61.44 3ias s VAL 431 Cb -0.16 -3.35 -0.07 0.00 0.56 0.00 0.00 36.38 33.36 3ias s VAL 431 CO 0.59 -0.12 1.23 -2.16 -0.31 0.00 0.00 175.10 174.33 3ias s PRO 432 N -3.09 3.56 -0.68 4.82 0.04 -1.26 -5.00 135.00 133.39 3ias s PRO 432 Ca 0.69 1.94 0.05 0.00 0.04 0.00 0.00 61.00 63.72 3ias s PRO 432 Cb -0.24 -2.37 0.27 0.00 0.04 0.00 0.00 34.50 32.20 3ias s PRO 432 CO 0.28 -0.77 0.88 0.54 0.04 0.00 0.00 177.00 177.98 3ias n ARG 433 N -0.65 2.92 -0.87 4.56 5.12 -1.26 -4.73 116.66 121.76 3ias n ARG 433 Ca 0.08 -4.71 -0.31 0.00 -1.93 0.00 0.00 57.85 50.99 3ias n ARG 433 Cb 0.47 -2.28 0.14 0.00 -1.16 0.00 0.00 32.46 29.63 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 -2.76 1.37 -0.21 5.56 0.04 -1.26 -4.95 135.00 132.79 3ias s PRO 434 Ca 0.41 1.42 -0.27 0.00 0.04 0.00 0.00 61.00 62.60 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 -2.35 0.94 0.45 0.04 0.00 0.00 177.00 176.06 3ias s SER 435 N -2.89 7.01 0.00 6.66 0.15 -1.26 -4.93 113.70 118.43 3ias s SER 435 Ca 0.65 1.26 0.02 0.00 0.70 0.00 0.00 55.95 58.57 3ias s SER 435 Cb -0.21 -2.50 0.01 0.00 -1.71 0.00 0.00 66.02 61.62 3ias s SER 435 CO 0.57 -0.56 0.57 0.18 1.20 0.00 0.00 173.24 175.20 3ias n LEU 436 N 5.94 1.18 -4.12 3.45 4.32 -1.26 -5.03 117.00 121.48 3ias n LEU 436 Ca 0.09 -1.04 -0.18 0.00 -0.02 0.00 0.00 56.01 54.86 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 0.50 0.28 -0.44 -1.66 -1.22 0.00 0.00 177.39 174.84 3ias s TRP 437 N -0.17 1.05 -2.96 -1.77 1.48 -1.26 -5.19 118.94 110.12 3ias s TRP 437 Ca 0.02 -0.41 0.24 0.00 -1.06 0.00 0.00 56.10 54.89 3ias s TRP 437 Cb 0.01 -0.61 0.26 0.00 -1.16 0.00 0.00 33.47 31.97 3ias s TRP 437 CO 0.02 0.01 1.30 0.54 -4.06 0.00 0.00 176.95 174.77