#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifr s GLN 8 N 0.00 1.78 -0.08 -0.14 -0.21 -1.26 -0.00 119.66 119.76 3ifr s GLN 8 Ca 0.00 -1.18 -0.22 0.00 0.02 0.00 0.00 55.36 53.97 3ifr s GLN 8 Cb 0.00 -2.11 0.05 0.00 1.00 0.00 0.00 33.01 31.95 3ifr s GLN 8 CO 0.00 0.48 0.52 0.54 -2.12 0.00 0.00 175.29 174.71 3ifr s VAL 9 N -1.16 0.02 -0.05 1.09 0.11 -0.35 -0.64 120.40 119.43 3ifr s VAL 9 Ca 0.18 -0.17 0.05 0.00 -2.93 0.00 0.00 61.98 59.12 3ifr s VAL 9 Cb -0.11 -0.80 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 3ifr s VAL 9 CO 0.10 -0.09 -0.21 -0.63 -3.33 0.00 0.00 175.10 170.94 3ifr s ILE 10 N -0.87 1.74 -0.06 7.04 1.01 -0.67 -1.10 121.20 128.28 3ifr s ILE 10 Ca -0.09 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.69 3ifr s ILE 10 Cb -0.03 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 3ifr s ILE 10 CO 0.06 0.49 -0.12 -0.83 0.00 0.00 0.00 174.94 174.53 3ifr s GLY 11 N -0.08 1.57 -0.07 6.18 0.00 -0.90 -1.62 107.32 112.40 3ifr s GLY 11 Ca -0.03 -0.95 0.04 0.00 0.00 0.00 0.00 44.72 43.78 3ifr s GLY 11 CO 0.03 -0.67 -0.20 -2.27 0.00 0.00 0.00 173.10 169.99 3ifr s LEU 12 N -0.60 1.95 -0.25 0.66 2.96 -0.75 -0.54 118.68 122.11 3ifr s LEU 12 Ca 0.09 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 3ifr s LEU 12 Cb -0.11 -1.17 0.06 0.00 0.50 0.00 0.00 46.19 45.47 3ifr s LEU 12 CO 0.01 0.15 -0.09 -0.62 -1.32 0.00 0.00 176.35 174.49 3ifr s ASP 13 N 0.19 4.23 -1.15 3.68 2.15 0.21 -0.80 116.67 125.19 3ifr s ASP 13 Ca -0.10 -1.32 -0.18 0.00 0.43 0.00 0.00 52.55 51.37 3ifr s ASP 13 Cb -0.15 -1.41 0.10 0.00 -0.30 0.00 0.00 42.92 41.16 3ifr s ASP 13 CO 0.05 -0.21 1.49 -0.63 -0.17 0.00 0.00 175.17 175.70 3ifr s ILE 14 N 1.21 4.39 0.71 4.11 1.09 0.37 -1.54 121.20 131.53 3ifr s ILE 14 Ca -0.08 -1.74 -0.03 0.00 -1.10 0.00 0.00 60.65 57.70 3ifr s ILE 14 Cb -0.20 -5.03 0.11 0.00 -1.06 0.00 0.00 42.46 36.28 3ifr s ILE 14 CO -0.05 -1.82 0.99 -0.83 -0.10 0.00 0.00 174.94 173.12 3ifr s GLY 15 N 3.98 1.76 -0.02 6.18 0.00 -0.21 -4.28 107.32 114.73 3ifr s GLY 15 Ca 0.46 -1.46 -0.24 0.00 0.00 0.00 0.00 44.72 43.48 3ifr s GLY 15 CO -0.01 -0.95 1.16 -0.84 0.00 0.00 0.00 173.10 172.45 3ifr h THR 16 N -0.54 1.46 -0.22 0.90 2.02 -1.96 -3.32 112.91 111.26 3ifr h THR 16 Ca -0.40 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.19 3ifr h THR 16 Cb 1.28 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 70.09 3ifr h THR 16 CO 0.46 0.44 0.00 0.35 0.37 0.00 0.00 175.52 177.13 3ifr n THR 17 N -4.61 0.71 -3.65 3.16 -2.24 -1.26 -4.53 114.28 101.86 3ifr n THR 17 Ca -0.08 -0.85 -0.12 0.00 -2.27 0.00 0.00 64.05 60.72 3ifr n THR 17 Cb 0.40 0.71 -0.08 0.00 -2.10 0.00 0.00 70.33 69.26 3ifr n THR 17 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ifr s SER 18 N -0.94 -0.75 -0.22 3.42 0.15 -1.25 -1.65 113.70 112.47 3ifr s SER 18 Ca 0.17 1.37 -0.05 0.00 0.70 0.00 0.00 55.95 58.15 3ifr s SER 18 Cb 0.10 1.35 -0.02 0.00 -1.71 0.00 0.00 66.02 65.74 3ifr s SER 18 CO 0.13 -0.23 -0.01 -0.89 1.20 0.00 0.00 173.24 173.44 3ifr s THR 19 N 0.67 3.70 -0.04 6.45 2.01 0.11 -1.04 115.64 127.51 3ifr s THR 19 Ca -0.03 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 61.62 3ifr s THR 19 Cb -0.05 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.78 3ifr s THR 19 CO -0.04 0.41 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.56 3ifr s ILE 20 N 1.32 1.00 0.04 1.82 1.01 -0.59 -1.17 121.20 124.64 3ifr s ILE 20 Ca 0.04 -0.46 0.05 0.00 0.00 0.00 0.00 60.65 60.28 3ifr s ILE 20 Cb -0.15 -0.90 -0.02 0.00 0.01 0.00 0.00 42.46 41.41 3ifr s ILE 20 CO -0.00 0.31 -0.15 0.00 0.00 0.00 0.00 174.94 175.10 3ifr s ALA 21 N 0.30 1.23 0.06 9.38 0.00 0.61 0.68 121.76 134.02 3ifr s ALA 21 Ca -0.06 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.09 3ifr s ALA 21 Cb -0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 3ifr s ALA 21 CO 0.02 0.24 -0.12 0.96 0.00 0.00 0.00 175.76 176.86 3ifr s ILE 22 N -0.84 0.91 -0.18 0.00 -4.36 0.30 -0.38 121.20 116.65 3ifr s ILE 22 Ca 0.02 -1.26 -0.02 0.00 -0.26 0.00 0.00 60.65 59.14 3ifr s ILE 22 Cb -0.08 -0.94 -0.01 0.00 1.25 0.00 0.00 42.46 42.68 3ifr s ILE 22 CO 0.01 -0.31 -0.10 -0.22 0.24 0.00 0.00 174.94 174.57 3ifr s LEU 23 N -1.75 2.72 -0.07 0.37 2.96 -0.27 -2.13 118.68 120.51 3ifr s LEU 23 Ca -0.04 -0.40 0.05 0.00 -0.22 0.00 0.00 54.13 53.52 3ifr s LEU 23 Cb -0.09 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 3ifr s LEU 23 CO 0.01 0.06 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.21 3ifr s VAL 24 N 0.97 2.41 -0.28 1.68 1.01 -0.26 0.34 120.40 126.28 3ifr s VAL 24 Ca -0.01 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 3ifr s VAL 24 Cb -0.15 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 3ifr s VAL 24 CO -0.01 0.57 0.22 -0.60 0.00 0.00 0.00 175.10 175.27 3ifr s ARG 25 N -0.17 3.96 0.44 2.72 3.52 0.10 -1.21 118.95 128.32 3ifr s ARG 25 Ca -0.03 -0.27 -0.23 0.00 -0.13 0.00 0.00 55.73 55.08 3ifr s ARG 25 Cb -0.14 -3.65 -0.08 0.00 -1.56 0.00 0.00 34.95 29.52 3ifr s ARG 25 CO 0.04 -0.18 1.11 -0.51 -0.81 0.00 0.00 175.30 174.95 3ifr s LEU 26 N 1.77 4.04 0.00 -0.88 1.43 1.00 -1.83 118.68 124.21 3ifr s LEU 26 Ca 0.08 2.18 0.23 0.00 -1.03 0.00 0.00 54.13 55.59 3ifr s LEU 26 Cb -0.16 -4.26 0.20 0.00 0.03 0.00 0.00 46.19 42.01 3ifr s LEU 26 CO 0.11 -0.77 1.20 -0.81 0.23 0.00 0.00 176.35 176.31 3ifr n PRO 27 N -0.40 0.31 -0.63 1.29 -0.04 -1.26 -4.21 135.00 130.07 3ifr n PRO 27 Ca 0.07 -0.23 -0.00 0.00 -0.04 0.00 0.00 63.50 63.30 3ifr n PRO 27 Cb 0.49 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.45 3ifr n PRO 27 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3ifr n ASP 28 N -1.14 0.03 -4.01 3.54 5.68 -1.06 -4.76 116.55 114.83 3ifr n ASP 28 Ca 0.07 -1.67 -0.23 0.00 -0.50 0.00 0.00 54.79 52.45 3ifr n ASP 28 Cb 0.36 -0.11 -0.16 0.00 -1.14 0.00 0.00 41.12 40.06 3ifr n ASP 28 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3ifr s THR 29 N 0.00 1.02 -0.50 2.12 2.01 -0.76 -4.77 115.64 114.75 3ifr s THR 29 Ca 0.03 -0.43 -0.16 0.00 0.31 0.00 0.00 61.69 61.44 3ifr s THR 29 Cb 0.04 -0.93 0.09 0.00 0.01 0.00 0.00 72.50 71.70 3ifr s THR 29 CO -0.02 0.32 0.48 -0.69 -0.69 0.00 0.00 174.62 174.03 3ifr s VAL 30 N 0.55 5.14 0.17 3.82 1.01 -1.26 0.02 120.40 129.84 3ifr s VAL 30 Ca -0.11 -1.08 -0.09 0.00 0.00 0.00 0.00 61.98 60.70 3ifr s VAL 30 Cb -0.14 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 32.01 3ifr s VAL 30 CO 0.03 -0.73 1.56 0.58 0.00 0.00 0.00 175.10 176.53 3ifr h VAL 31 N 5.82 1.27 -2.66 2.92 2.07 -0.46 -3.47 116.25 121.74 3ifr h VAL 31 Ca -0.29 -1.38 -0.07 0.00 0.82 0.00 0.00 66.70 65.78 3ifr h VAL 31 Cb 1.10 1.14 -0.17 0.00 -1.52 0.00 0.00 31.29 31.84 3ifr h VAL 31 CO 0.95 0.48 0.03 0.00 0.02 0.00 0.00 177.57 179.05 3ifr s ALA 32 N -4.66 -1.35 -0.04 1.67 0.00 -1.10 -4.83 121.76 111.45 3ifr s ALA 32 Ca -0.11 0.70 0.01 0.00 0.00 0.00 0.00 51.96 52.56 3ifr s ALA 32 Cb 0.12 0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.54 3ifr s ALA 32 CO 0.87 -0.45 -0.04 0.08 0.00 0.00 0.00 175.76 176.22 3ifr s VAL 33 N -2.09 0.51 0.03 0.00 1.01 -1.26 -1.12 120.40 117.48 3ifr s VAL 33 Ca -0.07 -0.10 0.07 0.00 0.00 0.00 0.00 61.98 61.88 3ifr s VAL 33 Cb -0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 3ifr s VAL 33 CO 0.01 0.22 -0.21 0.00 0.00 0.00 0.00 175.10 175.13 3ifr s ALA 34 N 0.95 1.75 0.17 5.51 0.00 0.49 -4.98 121.76 125.65 3ifr s ALA 34 Ca -0.11 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.83 3ifr s ALA 34 Cb -0.14 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 3ifr s ALA 34 CO -0.00 0.40 0.04 -1.54 0.00 0.00 0.00 175.76 174.66 3ifr s SER 35 N -1.07 0.77 -0.21 0.00 1.04 -1.26 -0.28 113.70 112.69 3ifr s SER 35 Ca 0.07 -1.23 -0.20 0.00 0.48 0.00 0.00 55.95 55.08 3ifr s SER 35 Cb -0.09 0.21 0.05 0.00 0.10 0.00 0.00 66.02 66.30 3ifr s SER 35 CO 0.01 -0.67 0.56 -0.13 0.98 0.00 0.00 173.24 173.99 3ifr s ARG 36 N -4.00 0.66 0.55 4.02 1.81 -0.32 -4.93 118.95 116.74 3ifr s ARG 36 Ca 0.27 0.78 -0.19 0.00 -1.72 0.00 0.00 55.73 54.86 3ifr s ARG 36 Cb 0.07 0.32 -0.05 0.00 -0.45 0.00 0.00 34.95 34.84 3ifr s ARG 36 CO 0.05 -0.08 1.15 -2.14 -0.68 0.00 0.00 175.30 173.60 3ifr s PRO 37 N 0.30 3.29 0.02 3.54 0.02 -1.26 0.09 135.00 141.00 3ifr s PRO 37 Ca -0.00 1.67 0.05 0.00 0.02 0.00 0.00 61.00 62.74 3ifr s PRO 37 Cb -0.04 -2.01 -0.02 0.00 0.02 0.00 0.00 34.50 32.46 3ifr s PRO 37 CO 0.01 -0.91 -0.16 0.99 -0.33 0.00 0.00 177.00 176.59 3ifr s THR 38 N -1.72 1.30 -0.21 0.99 2.01 -0.66 -4.77 115.64 112.58 3ifr s THR 38 Ca 0.73 -0.94 -0.16 0.00 0.31 0.00 0.00 61.69 61.64 3ifr s THR 38 Cb -0.26 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 3ifr s THR 38 CO 0.29 0.17 0.40 -0.89 -0.69 0.00 0.00 174.62 173.90 3ifr s THR 39 N -0.67 5.19 -0.33 -0.82 2.01 -1.26 -4.51 115.64 115.25 3ifr s THR 39 Ca 0.05 0.71 -0.20 0.00 0.31 0.00 0.00 61.69 62.55 3ifr s THR 39 Cb -0.07 -3.73 -0.00 0.00 0.01 0.00 0.00 72.50 68.70 3ifr s THR 39 CO 0.01 0.24 0.64 -0.22 -0.69 0.00 0.00 174.62 174.60 3ifr s LEU 40 N 1.37 4.19 0.19 4.42 2.96 -1.26 -4.61 118.68 125.94 3ifr s LEU 40 Ca 0.19 0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.41 3ifr s LEU 40 Cb -0.15 -2.81 -0.04 0.00 0.50 0.00 0.00 46.19 43.69 3ifr s LEU 40 CO 0.08 -0.54 0.36 -0.44 -1.32 0.00 0.00 176.35 174.49 3ifr s SER 41 N 1.71 6.37 -0.31 3.68 0.01 -0.02 -4.92 113.70 120.22 3ifr s SER 41 Ca 0.25 0.33 -0.01 0.00 1.31 0.00 0.00 55.95 57.83 3ifr s SER 41 Cb -0.15 -1.98 0.13 0.00 0.21 0.00 0.00 66.02 64.23 3ifr s SER 41 CO 0.13 -0.02 0.24 -0.94 0.41 0.00 0.00 173.24 173.06 3ifr s SER 42 N -3.21 2.41 0.42 2.44 1.04 -1.26 -0.60 113.70 114.94 3ifr s SER 42 Ca 0.37 -1.20 0.17 0.00 0.48 0.00 0.00 55.95 55.77 3ifr s SER 42 Cb -0.11 0.11 0.95 0.00 0.10 0.00 0.00 66.02 67.07 3ifr s SER 42 CO 0.29 -0.38 1.91 -0.65 0.98 0.00 0.00 173.24 175.38 3ifr h PRO 43 N 8.03 0.00 -4.22 4.02 0.11 -1.98 -3.44 132.00 134.51 3ifr h PRO 43 Ca -0.11 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.87 3ifr h PRO 43 Cb 1.04 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.00 3ifr h PRO 43 CO 0.35 0.27 -0.62 -1.01 -0.21 0.00 0.00 178.00 176.79 3ifr s HIS 44 N -4.22 0.56 0.23 0.65 3.76 -1.26 -5.07 115.29 109.94 3ifr s HIS 44 Ca -0.03 -1.04 -0.31 0.00 -0.15 0.00 0.00 55.06 53.53 3ifr s HIS 44 Cb 0.14 -0.36 -0.14 0.00 1.11 0.00 0.00 32.58 33.33 3ifr s HIS 44 CO 0.68 -0.46 1.21 -2.30 -0.85 0.00 0.00 174.74 173.02 3ifr n PRO 45 N 0.02 1.50 -0.41 8.40 -0.02 -1.26 -0.92 135.00 142.31 3ifr n PRO 45 Ca -0.11 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3ifr n PRO 45 Cb 0.62 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3ifr n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ifr n GLY 46 N 1.83 2.01 3.75 -1.23 0.00 -1.26 -4.93 105.19 105.37 3ifr n GLY 46 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3ifr n GLY 46 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ifr s TRP 47 N -3.26 3.60 -0.20 1.61 0.52 -0.10 -0.17 118.94 120.95 3ifr s TRP 47 Ca 0.00 1.69 -0.03 0.00 0.02 0.00 0.00 56.10 57.78 3ifr s TRP 47 Cb 0.00 -3.27 0.06 0.00 -1.15 0.00 0.00 33.47 29.11 3ifr s TRP 47 CO 0.00 -0.53 0.05 0.00 0.02 0.00 0.00 176.95 176.49 3ifr s ALA 48 N -0.97 0.95 0.08 0.98 0.00 -1.26 -4.23 121.76 117.32 3ifr s ALA 48 Ca 0.45 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.77 3ifr s ALA 48 Cb -0.31 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 3ifr s ALA 48 CO 0.39 -1.20 -0.15 -1.21 0.00 0.00 0.00 175.76 173.59 3ifr s GLU 49 N 1.88 0.86 0.19 0.00 2.02 0.23 -0.62 118.70 123.26 3ifr s GLU 49 Ca -0.00 -1.00 0.03 0.00 0.02 0.00 0.00 54.97 54.02 3ifr s GLU 49 Cb -0.17 -0.88 -0.05 0.00 0.10 0.00 0.00 34.13 33.14 3ifr s GLU 49 CO -0.09 0.19 -0.01 -1.21 0.02 0.00 0.00 175.26 174.16 3ifr s GLU 50 N -1.84 1.17 -0.41 1.61 2.02 0.34 -0.84 118.70 120.75 3ifr s GLU 50 Ca -0.00 -1.57 -0.15 0.00 0.02 0.00 0.00 54.97 53.27 3ifr s GLU 50 Cb -0.10 -0.40 0.03 0.00 0.10 0.00 0.00 34.13 33.76 3ifr s GLU 50 CO 0.02 -0.10 0.30 0.34 0.02 0.00 0.00 175.26 175.84 3ifr s ASP 51 N -3.21 6.07 0.66 -0.19 -1.08 -1.26 -0.19 116.67 117.47 3ifr s ASP 51 Ca 0.25 -0.95 0.43 0.00 -0.52 0.00 0.00 52.55 51.76 3ifr s ASP 51 Cb 0.06 -2.15 2.34 0.00 -1.46 0.00 0.00 42.92 41.71 3ifr s ASP 51 CO 0.05 -0.46 2.34 -0.65 0.52 0.00 0.00 175.17 176.98 3ifr h PRO 52 N 8.62 0.00 0.00 4.34 0.11 -1.96 0.29 132.00 143.41 3ifr h PRO 52 Ca -0.27 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.72 3ifr h PRO 52 Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3ifr h PRO 52 CO 0.74 0.00 -0.58 0.00 -0.21 0.00 0.00 178.00 177.95 3ifr h ALA 53 N 2.00 1.00 -0.35 -0.75 0.00 -1.99 -2.25 119.26 116.92 3ifr h ALA 53 Ca -0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 3ifr h ALA 53 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3ifr h ALA 53 CO 0.00 0.73 -0.41 0.37 0.00 0.00 0.00 179.25 179.94 3ifr h GLN 54 N 0.00 0.87 -0.44 0.00 4.15 -1.35 -1.10 115.11 117.23 3ifr h GLN 54 Ca -0.01 -0.47 0.09 0.00 0.77 0.00 0.00 58.65 59.03 3ifr h GLN 54 Cb 1.05 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 28.68 3ifr h GLN 54 CO 0.08 1.11 -0.03 -1.49 -1.93 0.00 0.00 178.83 176.56 3ifr h TRP 55 N 0.71 -0.09 -0.39 3.99 6.55 -1.34 0.66 115.95 126.03 3ifr h TRP 55 Ca 0.05 0.03 -0.11 0.00 0.95 0.00 0.00 58.89 59.82 3ifr h TRP 55 Cb 0.99 0.11 -0.01 0.00 -0.86 0.00 0.00 29.16 29.39 3ifr h TRP 55 CO 0.06 -0.13 -0.19 2.35 -1.05 0.00 0.00 178.44 179.48 3ifr h TRP 56 N 0.07 0.94 -0.21 0.49 2.91 -1.31 0.64 115.95 119.49 3ifr h TRP 56 Ca 0.22 -0.24 -0.02 0.00 1.13 0.00 0.00 58.89 59.99 3ifr h TRP 56 Cb 0.33 -0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 28.75 3ifr h TRP 56 CO -0.32 0.99 0.06 0.22 -1.03 0.00 0.00 178.44 178.36 3ifr h ASP 57 N 0.62 0.31 -0.48 2.65 1.82 -0.94 -0.95 116.42 119.45 3ifr h ASP 57 Ca 0.09 -0.22 0.09 0.00 -0.39 0.00 0.00 57.03 56.60 3ifr h ASP 57 Cb 0.75 -0.08 -0.08 0.00 0.68 0.00 0.00 39.33 40.59 3ifr h ASP 57 CO 0.06 0.45 -0.05 0.78 -1.61 0.00 0.00 179.24 178.86 3ifr h ASN 58 N 0.15 -0.31 -0.43 2.28 -0.26 0.66 -2.04 115.58 115.63 3ifr h ASN 58 Ca 0.07 0.13 -0.02 0.00 -0.56 0.00 0.00 56.30 55.91 3ifr h ASN 58 Cb 0.25 0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.74 3ifr h ASN 58 CO -0.00 -0.11 0.20 0.00 -1.06 0.00 0.00 177.43 176.46 3ifr h ALA 59 N 1.45 0.56 -0.50 -0.83 0.00 0.64 -1.69 119.26 118.88 3ifr h ALA 59 Ca 0.24 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3ifr h ALA 59 Cb 0.36 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3ifr h ALA 59 CO -0.44 0.13 0.17 0.00 0.00 0.00 0.00 179.25 179.11 3ifr h ARG 60 N 0.55 0.34 -0.36 0.00 3.08 -1.10 -1.80 114.38 115.09 3ifr h ARG 60 Ca 0.15 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 3ifr h ARG 60 Cb 0.13 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3ifr h ARG 60 CO -0.02 0.22 0.19 0.00 -1.07 0.00 0.00 179.97 179.29 3ifr h ALA 61 N 1.34 0.47 -0.09 0.04 0.00 -0.70 -2.13 119.26 118.18 3ifr h ALA 61 Ca 0.24 -0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.83 3ifr h ALA 61 Cb 0.26 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ifr h ALA 61 CO -0.25 0.01 -0.84 -0.24 0.00 0.00 0.00 179.25 177.93 3ifr h VAL 62 N 0.45 1.31 0.19 0.00 3.04 -1.28 0.53 116.25 120.50 3ifr h VAL 62 Ca 0.13 -2.11 -0.01 0.00 -1.01 0.00 0.00 66.70 63.69 3ifr h VAL 62 Cb 0.09 2.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 3ifr h VAL 62 CO -0.02 0.66 -0.09 -0.07 -1.01 0.00 0.00 177.57 177.03 3ifr h LEU 63 N 0.43 -0.22 -0.95 3.16 3.38 -1.33 -1.75 115.31 118.03 3ifr h LEU 63 Ca -0.07 -0.19 0.12 0.00 0.09 0.00 0.00 57.88 57.84 3ifr h LEU 63 Cb 1.47 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 42.19 3ifr h LEU 63 CO 0.16 0.07 0.57 0.00 0.09 0.00 0.00 178.44 179.34 3ifr h ALA 64 N 0.21 1.43 -0.24 1.53 0.00 -1.05 -1.64 119.26 119.50 3ifr h ALA 64 Ca -0.03 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3ifr h ALA 64 Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3ifr h ALA 64 CO 0.04 0.14 -0.10 1.49 0.00 0.00 0.00 179.25 180.82 3ifr h GLU 65 N 0.89 0.39 -0.33 0.00 4.81 -0.76 -1.69 114.58 117.90 3ifr h GLU 65 Ca 0.48 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 59.66 3ifr h GLU 65 Cb 0.52 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 3ifr h GLU 65 CO -0.28 0.50 0.06 -0.07 -0.73 0.00 0.00 179.01 178.48 3ifr h LEU 66 N 0.37 -0.01 -1.06 1.64 4.07 -0.37 0.31 115.31 120.27 3ifr h LEU 66 Ca 0.07 0.06 -0.05 0.00 0.08 0.00 0.00 57.88 58.04 3ifr h LEU 66 Cb 0.40 0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 3ifr h LEU 66 CO 0.02 0.03 0.09 0.50 -1.08 0.00 0.00 178.44 178.00 3ifr h LYS 67 N 0.17 0.76 -0.03 1.13 3.64 -1.24 -1.20 116.57 119.80 3ifr h LYS 67 Ca 0.15 -0.16 -0.21 0.00 -1.27 0.00 0.00 60.65 59.16 3ifr h LYS 67 Cb 0.18 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3ifr h LYS 67 CO -0.21 0.71 -0.88 1.15 -2.27 0.00 0.00 179.45 177.96 3ifr h THR 68 N 0.73 1.39 0.02 1.00 2.02 -0.62 -1.22 112.91 116.23 3ifr h THR 68 Ca 0.16 -2.34 -0.00 0.00 0.77 0.00 0.00 66.41 65.00 3ifr h THR 68 Cb 0.32 2.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 3ifr h THR 68 CO 0.00 0.70 -0.01 0.74 0.37 0.00 0.00 175.52 177.33 3ifr h THR 69 N 0.26 1.39 0.00 3.16 2.02 -0.29 -3.31 112.91 116.13 3ifr h THR 69 Ca -0.07 -1.33 -0.11 0.00 0.77 0.00 0.00 66.41 65.67 3ifr h THR 69 Cb 1.50 2.28 -0.02 0.00 -1.74 0.00 0.00 68.15 70.17 3ifr h THR 69 CO 0.15 0.34 -0.52 0.00 0.37 0.00 0.00 175.52 175.86 3ifr h ALA 70 N 0.34 0.87 0.00 6.16 0.00 -1.27 -3.49 119.26 121.86 3ifr h ALA 70 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3ifr h ALA 70 Cb 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3ifr h ALA 70 CO 0.00 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.32 3ifr n GLY 71 N 0.51 -1.81 0.22 0.00 0.00 -0.46 -4.11 105.19 99.54 3ifr n GLY 71 Ca -0.00 -1.51 -0.01 0.00 0.00 0.00 0.00 46.02 44.50 3ifr n GLY 71 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ifr h GLU 72 N 0.00 0.29 0.00 1.61 4.57 -1.93 -2.31 114.58 116.81 3ifr h GLU 72 Ca 0.00 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 3ifr h GLU 72 Cb 0.00 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 3ifr h GLU 72 CO 0.00 0.56 0.00 -1.13 -1.18 0.00 0.00 179.01 177.26 3ifr n SER 73 N -4.12 0.44 -0.74 1.04 3.41 -1.26 -2.78 113.62 109.61 3ifr n SER 73 Ca -0.01 0.59 0.06 0.00 -0.26 0.00 0.00 58.87 59.25 3ifr n SER 73 Cb 0.40 -0.69 0.15 0.00 -0.26 0.00 0.00 64.21 63.81 3ifr n SER 73 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3ifr n ASP 74 N -1.96 1.55 -4.20 4.04 4.64 -0.94 -4.99 116.55 114.69 3ifr n ASP 74 Ca 0.03 -3.31 -0.39 0.00 -1.38 0.00 0.00 54.79 49.73 3ifr n ASP 74 Cb 0.25 -0.45 -0.10 0.00 -1.04 0.00 0.00 41.12 39.78 3ifr n ASP 74 CO 0.00 0.00 0.00 0.86 -0.82 0.00 0.00 177.20 177.24 3ifr s TRP 75 N -2.35 3.44 -0.38 -0.67 -0.11 -0.91 -4.83 118.94 113.13 3ifr s TRP 75 Ca 0.35 -1.91 0.12 0.00 1.22 0.00 0.00 56.10 55.87 3ifr s TRP 75 Cb 0.35 -3.27 0.38 0.00 -1.50 0.00 0.00 33.47 29.43 3ifr s TRP 75 CO -0.08 -0.95 0.96 2.89 -4.62 0.00 0.00 176.95 175.15 3ifr n ARG 76 N 4.83 1.05 -2.04 5.86 1.85 -1.26 -4.97 116.66 121.99 3ifr n ARG 76 Ca -0.07 -2.81 -0.41 0.00 -1.00 0.00 0.00 57.85 53.56 3ifr n ARG 76 Cb 0.41 -1.21 -0.02 0.00 -1.05 0.00 0.00 32.46 30.59 3ifr n ARG 76 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3ifr s PRO 77 N -1.63 4.29 0.00 2.89 0.04 -1.26 -4.12 135.00 135.21 3ifr s PRO 77 Ca 0.30 2.29 0.04 0.00 0.04 0.00 0.00 61.00 63.67 3ifr s PRO 77 Cb 0.37 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.80 3ifr s PRO 77 CO -0.05 -0.33 0.23 0.41 0.04 0.00 0.00 177.00 177.31 3ifr n GLY 78 N 1.38 0.37 3.57 0.56 0.00 0.19 -4.96 105.19 106.31 3ifr n GLY 78 Ca 0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 3ifr n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ifr s GLY 79 N -1.19 -0.35 -0.00 -0.02 0.00 -1.25 -4.40 107.32 100.11 3ifr s GLY 79 Ca 0.02 1.39 0.02 0.00 0.00 0.00 0.00 44.72 46.15 3ifr s GLY 79 CO 0.14 0.46 -0.06 -1.50 0.00 0.00 0.00 173.10 172.14 3ifr s ILE 80 N -2.64 0.46 -0.04 0.90 2.07 -0.51 -1.66 121.20 119.77 3ifr s ILE 80 Ca 0.08 -0.26 0.06 0.00 -1.41 0.00 0.00 60.65 59.13 3ifr s ILE 80 Cb -0.01 -0.39 -0.01 0.00 0.13 0.00 0.00 42.46 42.18 3ifr s ILE 80 CO -0.06 0.12 -0.23 0.00 -1.91 0.00 0.00 174.94 172.87 3ifr s VAL 82 N -0.24 4.11 0.42 0.00 1.01 -1.26 -1.81 120.40 122.64 3ifr s VAL 82 Ca 0.00 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.76 3ifr s VAL 82 Cb -0.12 -2.83 -0.06 0.00 0.00 0.00 0.00 36.38 33.38 3ifr s VAL 82 CO 0.02 0.47 0.02 0.28 0.00 0.00 0.00 175.10 175.89 3ifr s THR 83 N 0.49 1.69 0.00 3.92 -1.32 0.02 -1.23 115.64 119.20 3ifr s THR 83 Ca -0.01 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.47 3ifr s THR 83 Cb -0.14 -2.77 0.00 0.00 -1.51 0.00 0.00 72.50 68.08 3ifr s THR 83 CO 0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 3ifr n GLY 84 N -1.01 -1.65 0.00 6.08 0.00 -1.22 -0.48 105.19 106.91 3ifr n GLY 84 Ca -0.08 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.68 3ifr n GLY 84 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3ifr n LEU 86 N 0.00 0.00 -4.65 0.99 -0.00 -1.26 -2.16 117.00 109.92 3ifr n LEU 86 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.59 3ifr n LEU 86 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 3ifr n LEU 86 CO 0.00 0.00 0.69 -2.84 -0.00 0.00 0.00 177.39 175.24 3ifr s PRO 87 N -2.00 4.20 0.37 1.47 0.02 -1.26 -4.76 135.00 133.04 3ifr s PRO 87 Ca 0.00 1.01 -0.09 0.00 0.02 0.00 0.00 61.00 61.94 3ifr s PRO 87 Cb 0.00 -3.64 -0.06 0.00 0.02 0.00 0.00 34.50 30.82 3ifr s PRO 87 CO 0.00 -0.53 0.71 0.00 -0.33 0.00 0.00 177.00 176.85 3ifr s ALA 88 N 2.88 3.42 -0.29 -1.55 0.00 -1.26 -3.80 121.76 121.15 3ifr s ALA 88 Ca 0.36 -0.28 -0.02 0.00 0.00 0.00 0.00 51.96 52.03 3ifr s ALA 88 Cb -0.15 -2.61 0.04 0.00 0.00 0.00 0.00 23.12 20.40 3ifr s ALA 88 CO 0.07 0.08 -0.00 0.08 0.00 0.00 0.00 175.76 175.98 3ifr s VAL 89 N -2.27 3.05 -0.12 0.00 1.01 -0.28 -4.00 120.40 117.79 3ifr s VAL 89 Ca 0.50 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3ifr s VAL 89 Cb -0.10 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 3ifr s VAL 89 CO 0.30 -0.05 -0.14 -0.69 0.00 0.00 0.00 175.10 174.53 3ifr s VAL 90 N 1.29 2.98 -0.22 2.92 1.01 0.49 -1.92 120.40 126.95 3ifr s VAL 90 Ca -0.04 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 3ifr s VAL 90 Cb -0.19 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 3ifr s VAL 90 CO -0.01 0.53 -0.02 -0.76 0.00 0.00 0.00 175.10 174.84 3ifr s LEU 91 N 0.25 3.01 -0.02 3.92 1.43 -1.26 -1.40 118.68 124.60 3ifr s LEU 91 Ca -0.09 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 3ifr s LEU 91 Cb -0.16 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 3ifr s LEU 91 CO 0.05 -0.01 -0.08 -0.76 0.23 0.00 0.00 176.35 175.79 3ifr s LEU 92 N 1.40 3.08 0.00 1.79 1.43 0.14 -0.33 118.68 126.19 3ifr s LEU 92 Ca 0.05 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 3ifr s LEU 92 Cb -0.14 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.38 3ifr s LEU 92 CO -0.01 0.31 0.17 -0.90 0.23 0.00 0.00 176.35 176.15 3ifr n ASP 93 N 1.83 0.07 0.22 2.29 3.85 -0.42 -0.65 116.55 123.74 3ifr n ASP 93 Ca -0.16 -1.10 0.15 0.00 -0.71 0.00 0.00 54.79 52.97 3ifr n ASP 93 Cb 0.53 -0.13 0.58 0.00 -1.35 0.00 0.00 41.12 40.75 3ifr n ASP 93 CO 0.00 0.00 0.00 -2.24 -1.01 0.00 0.00 177.20 173.95 3ifr h ASP 94 N -0.20 0.00 -0.04 -1.12 3.04 -1.90 -1.64 116.42 114.56 3ifr h ASP 94 Ca -0.06 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.73 3ifr h ASP 94 Cb 0.17 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.46 3ifr h ASP 94 CO 0.05 0.00 0.00 0.54 -2.04 0.00 0.00 179.24 177.79 3ifr n ARG 95 N -2.79 1.81 -0.79 4.15 5.12 -1.26 -4.94 116.66 117.96 3ifr n ARG 95 Ca 0.02 -1.18 0.00 0.00 -1.93 0.00 0.00 57.85 54.76 3ifr n ARG 95 Cb 0.30 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 3ifr n ARG 95 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ifr n GLY 96 N 1.21 0.71 3.80 -0.13 0.00 -0.62 -5.05 105.19 105.11 3ifr n GLY 96 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3ifr n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ifr s ALA 97 N -2.58 3.33 0.06 4.61 0.00 -1.26 -4.78 121.76 121.13 3ifr s ALA 97 Ca 0.00 0.33 -0.30 0.00 0.00 0.00 0.00 51.96 51.99 3ifr s ALA 97 Cb 0.00 -2.99 -0.08 0.00 0.00 0.00 0.00 23.12 20.05 3ifr s ALA 97 CO 0.00 0.26 1.74 0.08 0.00 0.00 0.00 175.76 177.84 3ifr s VAL 98 N -1.53 3.02 0.03 0.00 1.01 -1.26 -1.30 120.40 120.36 3ifr s VAL 98 Ca 0.45 0.36 -0.17 0.00 0.00 0.00 0.00 61.98 62.62 3ifr s VAL 98 Cb -0.18 -3.23 -0.26 0.00 0.00 0.00 0.00 36.38 32.71 3ifr s VAL 98 CO 0.23 -0.01 1.10 -0.07 0.00 0.00 0.00 175.10 176.34 3ifr h LEU 99 N 9.16 0.71 -8.11 3.92 3.38 -1.03 -3.48 115.31 119.87 3ifr h LEU 99 Ca -0.44 -0.79 0.01 0.00 0.09 0.00 0.00 57.88 56.74 3ifr h LEU 99 Cb 1.21 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.67 3ifr h LEU 99 CO 0.94 1.42 0.09 0.00 0.09 0.00 0.00 178.44 180.98 3ifr s ARG 100 N -3.09 1.73 0.65 1.13 1.70 -1.26 -5.07 118.95 114.75 3ifr s ARG 100 Ca -0.11 -1.15 -0.18 0.00 -0.47 0.00 0.00 55.73 53.82 3ifr s ARG 100 Cb 0.05 0.55 -0.01 0.00 -0.57 0.00 0.00 34.95 34.97 3ifr s ARG 100 CO 0.88 -0.77 1.29 -2.14 -1.08 0.00 0.00 175.30 173.47 3ifr s PRO 101 N -3.81 2.52 0.26 3.89 0.02 -1.26 -4.70 135.00 131.92 3ifr s PRO 101 Ca 0.16 2.04 -0.30 0.00 0.02 0.00 0.00 61.00 62.92 3ifr s PRO 101 Cb -0.04 -1.84 -0.10 0.00 0.02 0.00 0.00 34.50 32.53 3ifr s PRO 101 CO 0.09 -1.62 1.48 0.45 -0.33 0.00 0.00 177.00 177.07 3ifr s SER 102 N -1.45 6.57 -0.32 2.53 0.15 0.73 -4.83 113.70 117.08 3ifr s SER 102 Ca 0.82 2.76 -0.16 0.00 0.70 0.00 0.00 55.95 60.06 3ifr s SER 102 Cb -0.37 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 61.30 3ifr s SER 102 CO 0.40 -0.76 0.44 -0.63 1.20 0.00 0.00 173.24 173.88 3ifr s ILE 103 N -0.04 5.10 0.86 6.45 1.01 -0.81 -0.51 121.20 133.27 3ifr s ILE 103 Ca 0.60 0.38 -0.12 0.00 0.00 0.00 0.00 60.65 61.52 3ifr s ILE 103 Cb -0.44 -3.84 0.11 0.00 0.01 0.00 0.00 42.46 38.30 3ifr s ILE 103 CO 0.45 -0.05 1.10 -1.10 0.00 0.00 0.00 174.94 175.34 3ifr s GLN 104 N 2.20 1.56 0.36 2.79 -1.52 0.21 -1.12 119.66 124.13 3ifr s GLN 104 Ca 0.16 0.67 0.17 0.00 -1.95 0.00 0.00 55.36 54.41 3ifr s GLN 104 Cb -0.16 -1.86 0.65 0.00 -0.22 0.00 0.00 33.01 31.43 3ifr s GLN 104 CO 0.12 -1.99 1.73 -0.56 -0.25 0.00 0.00 175.29 174.33 3ifr h GLN 105 N -1.36 0.00 0.00 2.91 -0.00 -1.86 -2.24 115.11 112.56 3ifr h GLN 105 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.16 3ifr h GLN 105 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 3ifr h GLN 105 CO 0.58 0.41 0.00 -1.13 -0.00 0.00 0.00 178.83 178.69 3ifr n SER 106 N -3.63 0.00 -4.76 0.06 3.41 -1.26 -4.82 113.62 102.61 3ifr n SER 106 Ca -0.01 -0.28 -0.39 0.00 -0.26 0.00 0.00 58.87 57.94 3ifr n SER 106 Cb 0.51 -0.14 0.01 0.00 -0.26 0.00 0.00 64.21 64.33 3ifr n SER 106 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ifr s ASP 107 N -2.27 5.93 -0.15 4.04 2.15 -0.84 -4.81 116.67 120.71 3ifr s ASP 107 Ca 0.22 2.66 0.17 0.00 0.43 0.00 0.00 52.55 56.03 3ifr s ASP 107 Cb 0.12 -2.63 0.32 0.00 -0.30 0.00 0.00 42.92 40.43 3ifr s ASP 107 CO 0.23 -1.11 1.17 0.61 -0.17 0.00 0.00 175.17 175.90 3ifr n GLY 108 N 0.63 4.90 0.07 2.66 0.00 0.76 -4.82 105.19 109.39 3ifr n GLY 108 Ca 0.06 -1.17 0.13 0.00 0.00 0.00 0.00 46.02 45.04 3ifr n GLY 108 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3ifr n ARG 109 N -1.34 0.20 -1.94 1.61 1.85 -1.26 -4.36 116.66 111.42 3ifr n ARG 109 Ca 0.17 0.13 -0.30 0.00 -1.00 0.00 0.00 57.85 56.85 3ifr n ARG 109 Cb 0.66 -1.70 0.03 0.00 -1.05 0.00 0.00 32.46 30.40 3ifr n ARG 109 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3ifr h GLY 111 N 2.35 0.19 0.51 0.00 0.00 -1.98 -2.53 103.07 101.61 3ifr h GLY 111 Ca 0.44 -0.07 0.08 0.00 0.00 0.00 0.00 47.33 47.78 3ifr h GLY 111 CO 1.09 0.06 0.26 -0.55 0.00 0.00 0.00 176.54 177.40 3ifr h ASP 112 N 0.18 0.32 0.39 0.19 3.32 -1.97 -1.28 116.42 117.56 3ifr h ASP 112 Ca 0.05 0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 3ifr h ASP 112 Cb -0.01 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3ifr h ASP 112 CO -0.02 0.20 -0.41 1.05 -1.72 0.00 0.00 179.24 178.34 3ifr h GLU 113 N 0.48 0.03 -0.15 3.56 9.09 -1.86 -1.74 114.58 123.98 3ifr h GLU 113 Ca 0.29 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 59.68 3ifr h GLU 113 Cb 0.30 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.39 3ifr h GLU 113 CO -0.25 0.43 0.05 0.28 0.05 0.00 0.00 179.01 179.57 3ifr h VAL 114 N 0.03 1.17 -0.71 -1.06 2.07 -0.98 0.15 116.25 116.90 3ifr h VAL 114 Ca -0.00 -0.52 0.13 0.00 0.82 0.00 0.00 66.70 67.13 3ifr h VAL 114 Cb 0.73 1.24 -0.09 0.00 -1.52 0.00 0.00 31.29 31.65 3ifr h VAL 114 CO 0.05 0.16 0.27 0.00 0.02 0.00 0.00 177.57 178.07 3ifr h ALA 115 N 0.88 0.97 -0.07 1.67 0.00 -0.74 0.15 119.26 122.12 3ifr h ALA 115 Ca 0.05 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3ifr h ALA 115 Cb 0.20 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ifr h ALA 115 CO -0.00 -0.22 0.03 0.93 0.00 0.00 0.00 179.25 179.99 3ifr h GLU 116 N 0.41 0.11 -0.24 0.00 5.08 -0.58 -0.42 114.58 118.95 3ifr h GLU 116 Ca 0.38 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.78 3ifr h GLU 116 Cb 0.56 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 3ifr h GLU 116 CO -0.39 0.26 -0.14 -0.07 -1.00 0.00 0.00 179.01 177.68 3ifr h LEU 117 N -0.06 -0.45 -1.43 1.33 3.38 -0.33 0.40 115.31 118.15 3ifr h LEU 117 Ca 0.02 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.15 3ifr h LEU 117 Cb 0.19 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3ifr h LEU 117 CO -0.00 -0.17 0.44 -0.09 0.09 0.00 0.00 178.44 178.70 3ifr h ARG 118 N -0.11 0.70 0.00 1.13 2.43 -0.57 0.76 114.38 118.72 3ifr h ARG 118 Ca 0.13 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 3ifr h ARG 118 Cb 0.31 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3ifr h ARG 118 CO -0.32 0.46 -0.36 0.00 -1.51 0.00 0.00 179.97 178.25 3ifr h ALA 119 N 1.63 0.81 0.00 2.80 0.00 0.55 -3.34 119.26 121.71 3ifr h ALA 119 Ca 0.28 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3ifr h ALA 119 Cb 0.19 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ifr h ALA 119 CO -0.08 0.44 -1.50 -1.91 0.00 0.00 0.00 179.25 176.20 3ifr n GLU 120 N -3.24 0.63 -4.37 0.00 2.13 0.12 -4.96 120.64 110.94 3ifr n GLU 120 Ca 0.02 -0.01 -0.19 0.00 0.66 0.00 0.00 57.16 57.64 3ifr n GLU 120 Cb 0.63 -1.69 -0.10 0.00 0.27 0.00 0.00 31.44 30.55 3ifr n GLU 120 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3ifr s VAL 121 N -3.37 1.40 -0.46 6.31 -7.23 0.14 -5.06 120.40 112.12 3ifr s VAL 121 Ca -0.04 -2.09 -0.29 0.00 -1.81 0.00 0.00 61.98 57.75 3ifr s VAL 121 Cb 0.11 -2.34 0.02 0.00 0.56 0.00 0.00 36.38 34.74 3ifr s VAL 121 CO 0.84 -0.36 1.23 -0.62 -0.31 0.00 0.00 175.10 175.88 3ifr s ASP 122 N -3.36 6.52 0.48 4.85 -1.08 -1.26 -4.71 116.67 118.10 3ifr s ASP 122 Ca 0.28 0.57 0.32 0.00 -0.52 0.00 0.00 52.55 53.19 3ifr s ASP 122 Cb 0.04 -2.55 1.74 0.00 -1.46 0.00 0.00 42.92 40.69 3ifr s ASP 122 CO 0.10 -1.33 1.99 0.28 0.52 0.00 0.00 175.17 176.72 3ifr h SER 123 N 9.74 0.00 0.00 -0.34 0.02 -1.92 -0.27 113.55 120.78 3ifr h SER 123 Ca -0.25 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.51 3ifr h SER 123 Cb 1.07 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.59 3ifr h SER 123 CO 1.12 0.00 -1.19 -0.62 -1.14 0.00 0.00 176.83 175.00 3ifr n GLU 124 N -2.64 0.54 -0.33 3.45 4.71 -1.26 -2.60 120.64 122.51 3ifr n GLU 124 Ca -0.02 0.53 0.09 0.00 -0.01 0.00 0.00 57.16 57.76 3ifr n GLU 124 Cb 0.06 -1.71 0.27 0.00 -1.01 0.00 0.00 31.44 29.05 3ifr n GLU 124 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ifr h ALA 125 N -0.66 1.49 -0.10 0.62 0.00 -1.90 0.46 119.26 119.16 3ifr h ALA 125 Ca -0.29 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3ifr h ALA 125 Cb 1.14 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3ifr h ALA 125 CO -0.18 -0.00 0.03 0.35 0.00 0.00 0.00 179.25 179.45 3ifr h PHE 126 N 0.76 0.16 -0.33 0.00 3.04 -1.19 -1.25 116.94 118.14 3ifr h PHE 126 Ca 0.52 -0.02 -0.08 0.00 3.98 0.00 0.00 57.97 62.37 3ifr h PHE 126 Cb 0.71 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 39.16 3ifr h PHE 126 CO -0.04 0.31 -0.14 1.25 -2.02 0.00 0.00 178.31 177.67 3ifr h LEU 127 N -0.03 0.57 -1.06 0.59 7.12 -0.96 -0.15 115.31 121.38 3ifr h LEU 127 Ca 0.03 -0.16 0.00 0.00 0.13 0.00 0.00 57.88 57.88 3ifr h LEU 127 Cb 0.22 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.20 3ifr h LEU 127 CO -0.00 0.74 0.00 0.00 -0.13 0.00 0.00 178.44 179.05 3ifr h ALA 128 N 1.32 1.00 0.04 1.25 0.00 0.08 0.26 119.26 123.22 3ifr h ALA 128 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.64 3ifr h ALA 128 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3ifr h ALA 128 CO 0.03 0.00 -2.08 -2.13 0.00 0.00 0.00 179.25 175.08 3ifr n ARG 129 N -2.53 0.66 0.00 0.00 0.63 -0.23 -4.42 116.66 110.77 3ifr n ARG 129 Ca 0.01 0.30 0.08 0.00 -0.92 0.00 0.00 57.85 57.32 3ifr n ARG 129 Cb 0.24 -1.63 0.02 0.00 0.45 0.00 0.00 32.46 31.54 3ifr n ARG 129 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3ifr n THR 130 N -3.76 0.00 -1.25 5.15 -2.24 -0.28 -1.37 114.28 110.53 3ifr n THR 130 Ca -0.40 -0.37 -0.09 0.00 -2.27 0.00 0.00 64.05 60.93 3ifr n THR 130 Cb 0.93 1.24 -0.04 0.00 -2.10 0.00 0.00 70.33 70.37 3ifr n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ifr n GLY 131 N 1.14 0.87 3.08 3.38 0.00 0.91 -4.82 105.19 109.76 3ifr n GLY 131 Ca 0.08 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 3ifr n GLY 131 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ifr s ASN 132 N -2.37 0.89 0.52 1.61 0.01 -1.22 -1.37 114.94 113.01 3ifr s ASN 132 Ca 0.00 -0.66 -0.01 0.00 -0.71 0.00 0.00 52.86 51.48 3ifr s ASN 132 Cb 0.00 0.06 0.01 0.00 0.41 0.00 0.00 41.25 41.73 3ifr s ASN 132 CO 0.00 -0.28 0.76 -0.83 -1.51 0.00 0.00 177.10 175.25 3ifr s GLY 133 N -1.94 1.67 -0.65 0.66 0.00 -1.26 -3.93 107.32 101.87 3ifr s GLY 133 Ca -0.05 -1.08 -0.27 0.00 0.00 0.00 0.00 44.72 43.32 3ifr s GLY 133 CO -0.01 -0.84 1.56 0.14 0.00 0.00 0.00 173.10 173.96 3ifr s VAL 134 N -2.74 3.56 0.23 1.40 1.01 -1.26 -4.79 120.40 117.81 3ifr s VAL 134 Ca 0.53 0.36 -0.04 0.00 0.00 0.00 0.00 61.98 62.83 3ifr s VAL 134 Cb -0.10 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 3ifr s VAL 134 CO 0.40 -1.32 0.26 0.42 0.00 0.00 0.00 175.10 174.87 3ifr s THR 135 N 7.28 0.00 -0.94 3.92 -4.23 -1.26 -4.98 115.64 115.43 3ifr s THR 135 Ca 0.52 -1.81 0.07 0.00 -1.18 0.00 0.00 61.69 59.30 3ifr s THR 135 Cb -0.11 -2.43 0.06 0.00 1.34 0.00 0.00 72.50 71.37 3ifr s THR 135 CO 0.19 0.00 1.23 0.00 -0.54 0.00 0.00 174.62 175.50 3ifr n GLN 136 N -0.35 0.01 0.18 3.99 6.02 -1.26 -2.23 117.38 123.75 3ifr n GLN 136 Ca 0.01 0.41 0.12 0.00 -0.01 0.00 0.00 57.00 57.54 3ifr n GLN 136 Cb 0.64 -1.54 0.20 0.00 1.02 0.00 0.00 30.24 30.56 3ifr n GLN 136 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 3ifr h GLN 137 N 0.00 0.00 -6.55 -1.09 4.15 -1.91 -3.42 115.11 106.29 3ifr h GLN 137 Ca 0.00 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.90 3ifr h GLN 137 Cb 0.10 0.00 0.05 0.00 0.21 0.00 0.00 27.48 27.84 3ifr h GLN 137 CO 0.00 0.00 1.10 1.28 -1.93 0.00 0.00 178.83 179.28 3ifr n LEU 138 N -2.88 4.09 -0.32 -2.39 4.77 -0.95 -4.71 117.00 114.61 3ifr n LEU 138 Ca 0.04 1.00 0.20 0.00 -0.03 0.00 0.00 56.01 57.22 3ifr n LEU 138 Cb 0.51 -1.56 0.41 0.00 -2.33 0.00 0.00 43.42 40.45 3ifr n LEU 138 CO 0.34 0.20 1.03 0.58 -1.33 0.00 0.00 177.39 178.21 3ifr h VAL 139 N 4.47 0.25 -0.64 4.08 2.07 -1.65 -0.75 116.25 124.08 3ifr h VAL 139 Ca -0.46 -0.08 0.10 0.00 0.82 0.00 0.00 66.70 67.09 3ifr h VAL 139 Cb 1.21 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.91 3ifr h VAL 139 CO 0.95 0.04 0.24 0.74 0.02 0.00 0.00 177.57 179.57 3ifr h THR 140 N 0.23 0.74 0.31 2.57 2.02 -1.88 0.27 112.91 117.17 3ifr h THR 140 Ca 0.68 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.70 3ifr h THR 140 Cb 1.51 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 3ifr h THR 140 CO -0.66 0.08 -0.15 0.00 0.37 0.00 0.00 175.52 175.15 3ifr h ALA 141 N 1.45 -0.42 -1.00 6.16 0.00 -1.41 -1.08 119.26 122.95 3ifr h ALA 141 Ca 0.33 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.23 3ifr h ALA 141 Cb 0.43 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 3ifr h ALA 141 CO -0.33 -0.68 0.64 0.87 0.00 0.00 0.00 179.25 179.74 3ifr h LYS 142 N -0.53 0.99 -0.09 0.00 1.57 -1.19 -1.91 116.57 115.42 3ifr h LYS 142 Ca -0.04 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3ifr h LYS 142 Cb 0.40 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3ifr h LYS 142 CO 0.07 0.66 0.02 -0.07 -0.57 0.00 0.00 179.45 179.56 3ifr h LEU 143 N 1.02 0.02 -1.00 2.94 4.07 -0.26 -1.91 115.31 120.19 3ifr h LEU 143 Ca 0.49 0.01 0.10 0.00 0.08 0.00 0.00 57.88 58.56 3ifr h LEU 143 Cb 0.44 0.01 -0.08 0.00 1.08 0.00 0.00 40.66 42.11 3ifr h LEU 143 CO -0.25 0.03 0.63 0.03 -1.08 0.00 0.00 178.44 177.80 3ifr h ARG 144 N 0.06 1.03 0.10 1.13 2.47 -0.76 -0.81 114.38 117.60 3ifr h ARG 144 Ca 0.04 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 3ifr h ARG 144 Cb 0.02 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.11 3ifr h ARG 144 CO -0.04 0.68 -0.05 2.35 0.56 0.00 0.00 179.97 183.47 3ifr h TRP 145 N 1.06 -0.12 -0.52 3.04 7.01 -1.05 -2.51 115.95 122.86 3ifr h TRP 145 Ca 0.47 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.55 3ifr h TRP 145 Cb 0.35 0.04 -0.07 0.00 -2.10 0.00 0.00 29.16 27.38 3ifr h TRP 145 CO -0.01 0.05 0.10 0.82 -2.79 0.00 0.00 178.44 176.61 3ifr h ILE 146 N -0.27 0.70 -0.96 2.65 2.04 -0.91 0.26 117.51 121.02 3ifr h ILE 146 Ca -0.01 -0.08 0.10 0.00 1.00 0.00 0.00 64.86 65.87 3ifr h ILE 146 Cb 0.22 0.44 -0.07 0.00 -0.74 0.00 0.00 36.82 36.67 3ifr h ILE 146 CO 0.02 0.04 0.62 -0.08 0.00 0.00 0.00 178.15 178.75 3ifr h GLU 147 N 0.23 0.96 0.01 2.37 4.81 -1.02 0.66 114.58 122.60 3ifr h GLU 147 Ca 0.26 -0.06 -0.26 0.00 -0.13 0.00 0.00 59.36 59.17 3ifr h GLU 147 Cb 0.36 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 3ifr h GLU 147 CO -0.35 0.63 -1.45 0.07 -0.73 0.00 0.00 179.01 177.19 3ifr h ARG 148 N 0.98 0.02 0.00 1.92 0.11 -0.88 -3.31 114.38 113.23 3ifr h ARG 148 Ca 0.45 -0.04 -0.26 0.00 0.10 0.00 0.00 59.98 60.24 3ifr h ARG 148 Cb 0.41 0.01 -0.05 0.00 1.11 0.00 0.00 29.97 31.45 3ifr h ARG 148 CO -0.21 0.73 -2.06 0.72 0.10 0.00 0.00 179.97 179.24 3ifr n HIS 149 N -3.19 0.30 -3.18 4.08 8.25 0.84 -4.65 115.22 117.67 3ifr n HIS 149 Ca -0.11 0.10 -0.21 0.00 -0.26 0.00 0.00 57.72 57.24 3ifr n HIS 149 Cb 1.01 -0.95 -0.05 0.00 1.12 0.00 0.00 29.99 31.12 3ifr n HIS 149 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3ifr n GLU 150 N -2.73 1.11 0.07 -0.41 1.02 0.23 -4.95 120.64 114.97 3ifr n GLU 150 Ca -0.22 -3.48 0.17 0.00 -0.02 0.00 0.00 57.16 53.61 3ifr n GLU 150 Cb 0.99 -1.60 0.68 0.00 -0.02 0.00 0.00 31.44 31.49 3ifr n GLU 150 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3ifr h PRO 151 N 3.40 0.00 -0.29 3.49 0.13 -1.64 -0.28 132.00 136.82 3ifr h PRO 151 Ca 0.10 -0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.09 3ifr h PRO 151 Cb 0.89 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 3ifr h PRO 151 CO 0.52 0.00 -0.35 0.00 -0.23 0.00 0.00 178.00 177.95 3ifr h ALA 152 N 1.81 0.43 -0.16 -0.56 0.00 -1.91 0.32 119.26 119.19 3ifr h ALA 152 Ca 0.18 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.70 3ifr h ALA 152 Cb 0.74 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3ifr h ALA 152 CO -0.00 0.50 -0.05 0.28 0.00 0.00 0.00 179.25 179.98 3ifr h VAL 153 N 0.49 0.83 -0.84 0.00 2.07 -1.49 -2.86 116.25 114.44 3ifr h VAL 153 Ca 0.04 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.63 3ifr h VAL 153 Cb 0.93 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 3ifr h VAL 153 CO 0.08 0.00 0.51 0.15 0.02 0.00 0.00 177.57 178.33 3ifr h PHE 154 N -0.01 0.93 0.00 1.57 3.57 -0.67 -1.44 116.94 120.89 3ifr h PHE 154 Ca 0.08 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3ifr h PHE 154 Cb 0.13 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 3ifr h PHE 154 CO -0.19 0.43 -0.20 0.78 -2.23 0.00 0.00 178.31 176.90 3ifr h GLY 155 N 0.89 0.00 0.07 2.40 0.00 -0.85 -2.90 103.07 102.68 3ifr h GLY 155 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3ifr h GLY 155 CO -0.21 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.33 3ifr n ALA 156 N -2.19 2.60 -2.42 3.60 0.00 -0.55 -4.91 120.51 116.65 3ifr n ALA 156 Ca 0.01 -0.34 -0.43 0.00 0.00 0.00 0.00 53.44 52.68 3ifr n ALA 156 Cb 0.46 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 3ifr n ALA 156 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ifr s ILE 157 N -1.96 4.16 -0.19 0.00 1.01 -1.10 -4.21 121.20 118.91 3ifr s ILE 157 Ca 0.38 1.32 0.12 0.00 0.00 0.00 0.00 60.65 62.48 3ifr s ILE 157 Cb 0.19 -4.12 -0.20 0.00 0.01 0.00 0.00 42.46 38.34 3ifr s ILE 157 CO 0.31 -0.42 -0.00 0.00 0.00 0.00 0.00 174.94 174.83 3ifr n ALA 158 N 7.48 1.56 -3.66 9.38 0.00 0.18 -4.90 120.51 130.55 3ifr n ALA 158 Ca 0.15 -1.11 -0.14 0.00 0.00 0.00 0.00 53.44 52.34 3ifr n ALA 158 Cb 0.46 -0.10 -0.15 0.00 0.00 0.00 0.00 19.45 19.67 3ifr n ALA 158 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ifr s THR 159 N -2.43 -0.05 -0.08 0.00 2.01 -0.50 -4.18 115.64 110.41 3ifr s THR 159 Ca -0.14 0.17 0.05 0.00 0.31 0.00 0.00 61.69 62.08 3ifr s THR 159 Cb 0.06 -0.18 -0.01 0.00 0.01 0.00 0.00 72.50 72.38 3ifr s THR 159 CO 0.67 0.07 -0.23 0.54 -0.69 0.00 0.00 174.62 174.98 3ifr s VAL 160 N 1.01 2.22 0.32 3.82 0.11 -0.47 0.23 120.40 127.64 3ifr s VAL 160 Ca -0.08 -0.99 -0.09 0.00 -2.93 0.00 0.00 61.98 57.89 3ifr s VAL 160 Cb -0.11 -1.84 0.04 0.00 -1.53 0.00 0.00 36.38 32.94 3ifr s VAL 160 CO -0.04 0.56 0.58 0.00 -3.33 0.00 0.00 175.10 172.87 3ifr n GLY 162 N -0.45 2.50 0.22 0.00 0.00 -1.26 -0.38 105.19 105.82 3ifr n GLY 162 Ca -0.05 -2.18 -0.10 0.00 0.00 0.00 0.00 46.02 43.68 3ifr n GLY 162 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ifr h SER 163 N 0.10 -0.40 0.47 1.61 4.64 -1.97 -2.03 113.55 115.97 3ifr h SER 163 Ca -0.08 -0.12 -0.07 0.00 -0.47 0.00 0.00 61.79 61.05 3ifr h SER 163 Cb 0.33 0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3ifr h SER 163 CO 0.12 0.05 -0.32 0.10 -0.87 0.00 0.00 176.83 175.92 3ifr h TYR 164 N -1.02 0.00 -0.96 4.77 -0.00 -1.91 -1.66 116.97 116.19 3ifr h TYR 164 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.69 3ifr h TYR 164 Cb 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.18 3ifr h TYR 164 CO 0.03 0.32 0.62 -0.44 -0.00 0.00 0.00 178.16 178.68 3ifr h ASP 165 N 0.00 1.12 -0.32 0.10 3.32 -1.89 -0.98 116.42 117.78 3ifr h ASP 165 Ca -0.00 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 3ifr h ASP 165 Cb 0.64 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3ifr h ASP 165 CO 0.04 0.83 0.04 0.22 -1.72 0.00 0.00 179.24 178.66 3ifr h TYR 166 N 1.31 0.56 0.09 4.55 3.20 -0.55 -3.05 116.97 123.09 3ifr h TYR 166 Ca 0.35 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.14 3ifr h TYR 166 Cb -0.12 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 3ifr h TYR 166 CO 0.00 0.62 -0.08 0.82 -1.64 0.00 0.00 178.16 177.88 3ifr h ILE 167 N 0.35 0.82 0.00 1.81 1.08 -1.27 -1.99 117.51 118.30 3ifr h ILE 167 Ca 0.09 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.56 3ifr h ILE 167 Cb 0.36 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 3ifr h ILE 167 CO 0.01 0.00 0.00 0.59 -0.69 0.00 0.00 178.15 178.06 3ifr n ASN 168 N -5.19 0.00 0.00 1.72 3.02 -0.39 -1.34 115.26 113.08 3ifr n ASN 168 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 3ifr n ASN 168 Cb 0.12 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 3ifr n ASN 168 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ifr n LEU 170 N 0.55 0.00 0.12 3.41 4.32 -0.75 -1.35 117.00 123.30 3ifr n LEU 170 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.77 3ifr n LEU 170 Cb 0.00 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 41.66 3ifr n LEU 170 CO 0.00 0.00 -0.13 -0.07 -1.22 0.00 0.00 177.39 175.97 3ifr h LEU 171 N 0.00 0.76 0.00 2.23 3.38 -1.49 -3.42 115.31 116.77 3ifr h LEU 171 Ca 0.00 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.20 3ifr h LEU 171 Cb 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3ifr h LEU 171 CO 0.00 1.59 -0.90 0.35 0.09 0.00 0.00 178.44 179.57 3ifr n THR 172 N -3.70 0.00 -0.92 0.22 -2.24 -0.46 -1.19 114.28 105.99 3ifr n THR 172 Ca -0.14 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3ifr n THR 172 Cb 1.05 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 3ifr n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ifr n GLY 173 N 2.23 0.33 3.87 3.38 0.00 -1.26 -4.70 105.19 109.03 3ifr n GLY 173 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3ifr n GLY 173 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ifr s GLU 174 N -0.84 3.13 -0.41 1.61 0.41 -1.26 -5.04 118.70 116.29 3ifr s GLU 174 Ca 0.00 0.63 0.03 0.00 -0.41 0.00 0.00 54.97 55.22 3ifr s GLU 174 Cb 0.00 -2.04 0.12 0.00 -1.78 0.00 0.00 34.13 30.43 3ifr s GLU 174 CO 0.00 -0.88 0.16 0.50 -0.49 0.00 0.00 175.26 174.55 3ifr s ARG 175 N -5.25 1.43 0.17 1.61 3.52 -1.26 -4.86 118.95 114.32 3ifr s ARG 175 Ca 0.57 -1.97 -0.06 0.00 -0.13 0.00 0.00 55.73 54.14 3ifr s ARG 175 Cb -0.11 -2.81 -0.02 0.00 -1.56 0.00 0.00 34.95 30.44 3ifr s ARG 175 CO 0.53 -1.05 0.22 0.14 -0.81 0.00 0.00 175.30 174.33 3ifr s VAL 176 N 0.56 0.06 0.12 7.11 -7.23 -1.26 -4.32 120.40 115.43 3ifr s VAL 176 Ca 0.14 -1.64 0.09 0.00 -1.81 0.00 0.00 61.98 58.75 3ifr s VAL 176 Cb -0.22 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 3ifr s VAL 176 CO -0.07 -0.26 -0.21 0.68 -0.31 0.00 0.00 175.10 174.93 3ifr s VAL 177 N -4.03 1.81 0.16 1.32 -7.23 -0.75 -4.90 120.40 106.78 3ifr s VAL 177 Ca 0.23 -1.64 -0.34 0.00 -1.81 0.00 0.00 61.98 58.43 3ifr s VAL 177 Cb 0.05 -1.67 -0.15 0.00 0.56 0.00 0.00 36.38 35.17 3ifr s VAL 177 CO 0.04 -0.09 1.36 -0.67 -0.31 0.00 0.00 175.10 175.43 3ifr n ASP 178 N 0.91 2.14 -0.33 4.85 -0.08 -1.26 0.01 116.55 122.79 3ifr n ASP 178 Ca -0.18 1.12 0.22 0.00 -1.51 0.00 0.00 54.79 54.44 3ifr n ASP 178 Cb 0.54 -1.31 0.42 0.00 2.34 0.00 0.00 41.12 43.11 3ifr n ASP 178 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3ifr h ARG 179 N 4.44 0.06 -0.06 -0.67 3.08 -1.70 -1.94 114.38 117.60 3ifr h ARG 179 Ca -0.45 -0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.41 3ifr h ARG 179 Cb 1.31 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 3ifr h ARG 179 CO 0.78 0.04 -0.77 -0.91 -1.07 0.00 0.00 179.97 178.04 3ifr h ASN 180 N 0.06 0.44 -0.33 7.04 2.35 -1.89 0.96 115.58 124.21 3ifr h ASN 180 Ca 0.70 -0.30 0.03 0.00 -0.55 0.00 0.00 56.30 56.17 3ifr h ASN 180 Cb 1.64 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 39.85 3ifr h ASN 180 CO -0.80 1.05 0.15 -0.25 -1.65 0.00 0.00 177.43 175.93 3ifr h TRP 181 N 0.24 0.27 -0.37 1.19 7.01 -1.75 0.55 115.95 123.09 3ifr h TRP 181 Ca -0.04 0.01 -0.09 0.00 2.11 0.00 0.00 58.89 60.89 3ifr h TRP 181 Cb 1.35 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 28.32 3ifr h TRP 181 CO 0.04 0.14 -0.14 0.00 -2.79 0.00 0.00 178.44 175.69 3ifr h ALA 182 N 1.19 1.06 0.16 2.65 0.00 -0.95 0.26 119.26 123.63 3ifr h ALA 182 Ca 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3ifr h ALA 182 Cb 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ifr h ALA 182 CO -0.12 0.57 -0.08 1.25 0.00 0.00 0.00 179.25 180.88 3ifr h LEU 183 N 0.61 -0.18 -1.31 0.00 6.46 -0.71 0.35 115.31 120.53 3ifr h LEU 183 Ca 0.10 -0.36 0.06 0.00 -0.12 0.00 0.00 57.88 57.57 3ifr h LEU 183 Cb 0.59 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 40.51 3ifr h LEU 183 CO 0.04 0.36 0.51 -0.33 -0.62 0.00 0.00 178.44 178.40 3ifr h GLU 184 N -0.82 0.81 0.00 1.25 5.08 -0.89 -2.61 114.58 117.39 3ifr h GLU 184 Ca -0.02 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3ifr h GLU 184 Cb 0.53 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 3ifr h GLU 184 CO 0.04 0.54 -0.13 0.78 -1.00 0.00 0.00 179.01 179.23 3ifr h GLY 185 N 0.84 0.00 0.00 -3.84 0.00 -0.36 -3.41 103.07 96.30 3ifr h GLY 185 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3ifr h GLY 185 CO -0.12 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.03 3ifr n GLY 186 N -0.28 1.19 0.01 4.60 0.00 -0.55 -1.93 105.19 108.22 3ifr n GLY 186 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 3ifr n GLY 186 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ifr n PHE 187 N -1.17 0.01 -4.45 1.61 3.72 0.11 -4.72 117.46 112.58 3ifr n PHE 187 Ca 0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.06 3ifr n PHE 187 Cb 0.00 -0.21 -0.11 0.00 -0.94 0.00 0.00 39.48 38.22 3ifr n PHE 187 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3ifr s ILE 188 N -3.21 4.02 -0.31 4.37 1.01 -1.18 -1.54 121.20 124.36 3ifr s ILE 188 Ca 0.02 -0.34 -0.21 0.00 0.00 0.00 0.00 60.65 60.11 3ifr s ILE 188 Cb 0.15 -2.70 -0.01 0.00 0.01 0.00 0.00 42.46 39.91 3ifr s ILE 188 CO 0.88 0.57 0.66 -0.62 0.00 0.00 0.00 174.94 176.43 3ifr s ASP 189 N -0.49 6.52 0.21 3.58 3.68 -1.14 -4.24 116.67 124.80 3ifr s ASP 189 Ca 0.08 0.45 -0.13 0.00 2.13 0.00 0.00 52.55 55.08 3ifr s ASP 189 Cb -0.12 -2.35 0.25 0.00 -1.45 0.00 0.00 42.92 39.25 3ifr s ASP 189 CO 0.02 -0.52 1.63 -0.07 0.13 0.00 0.00 175.17 176.36 3ifr h LEU 190 N 9.24 -0.56 -1.05 -1.34 4.07 -1.54 1.03 115.31 125.16 3ifr h LEU 190 Ca -0.26 0.19 0.28 0.00 0.08 0.00 0.00 57.88 58.16 3ifr h LEU 190 Cb 1.11 0.38 -0.13 0.00 1.08 0.00 0.00 40.66 43.10 3ifr h LEU 190 CO 0.82 -0.20 0.60 0.00 -1.08 0.00 0.00 178.44 178.58 3ifr h ALA 191 N 1.63 1.91 0.00 1.53 0.00 -1.93 -3.05 119.26 119.35 3ifr h ALA 191 Ca 0.31 0.14 -0.15 0.00 0.00 0.00 0.00 54.91 55.20 3ifr h ALA 191 Cb 0.48 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3ifr h ALA 191 CO -0.64 -0.42 -1.84 -1.13 0.00 0.00 0.00 179.25 175.21 3ifr n SER 192 N -4.91 1.58 -0.63 0.00 3.41 -0.35 -4.99 113.62 107.73 3ifr n SER 192 Ca 0.29 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.81 3ifr n SER 192 Cb 0.85 1.17 -0.04 0.00 -0.26 0.00 0.00 64.21 65.93 3ifr n SER 192 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ifr n GLY 193 N 1.95 1.02 3.38 5.00 0.00 0.34 -5.00 105.19 111.89 3ifr n GLY 193 Ca -0.15 -0.64 -0.19 0.00 0.00 0.00 0.00 46.02 45.04 3ifr n GLY 193 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ifr s THR 194 N -2.30 1.11 0.05 2.61 -4.23 -1.25 -4.95 115.64 106.68 3ifr s THR 194 Ca 0.00 -2.03 -0.31 0.00 -1.18 0.00 0.00 61.69 58.18 3ifr s THR 194 Cb 0.00 -2.55 -0.06 0.00 1.34 0.00 0.00 72.50 71.23 3ifr s THR 194 CO 0.00 -0.17 1.34 -0.69 -0.54 0.00 0.00 174.62 174.56 3ifr s VAL 195 N -3.37 3.69 -0.14 2.29 1.01 -1.26 -2.89 120.40 119.73 3ifr s VAL 195 Ca 0.33 1.15 -0.07 0.00 0.00 0.00 0.00 61.98 63.39 3ifr s VAL 195 Cb 0.07 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3ifr s VAL 195 CO 0.12 0.05 0.11 -1.61 0.00 0.00 0.00 175.10 173.76 3ifr s GLU 196 N 1.70 3.57 0.04 2.72 0.41 -0.59 -4.98 118.70 121.57 3ifr s GLU 196 Ca 0.62 -0.22 -0.20 0.00 -0.41 0.00 0.00 54.97 54.76 3ifr s GLU 196 Cb -0.32 -3.17 -0.10 0.00 -1.78 0.00 0.00 34.13 28.76 3ifr s GLU 196 CO 0.28 0.62 1.31 0.00 -0.49 0.00 0.00 175.26 176.97 3ifr h ALA 197 N 5.53 -1.07 0.00 5.21 0.00 -1.95 -0.45 119.26 126.53 3ifr h ALA 197 Ca -0.49 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3ifr h ALA 197 Cb 1.20 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3ifr h ALA 197 CO 0.62 -1.06 0.00 -3.47 0.00 0.00 0.00 179.25 175.34 3ifr n ASP 198 N -4.04 0.00 0.04 0.00 2.03 -1.26 -0.11 116.55 113.21 3ifr n ASP 198 Ca -0.08 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.03 3ifr n ASP 198 Cb 0.27 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.56 3ifr n ASP 198 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3ifr h LEU 199 N 0.00 0.83 -0.57 -2.67 3.38 -1.43 -3.10 115.31 111.76 3ifr h LEU 199 Ca 0.00 -0.75 -0.01 0.00 0.09 0.00 0.00 57.88 57.20 3ifr h LEU 199 Cb 0.00 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3ifr h LEU 199 CO 0.00 1.48 0.30 0.58 0.09 0.00 0.00 178.44 180.89 3ifr h VAL 200 N 0.27 1.19 -1.03 1.22 2.07 -0.31 -2.84 116.25 116.82 3ifr h VAL 200 Ca -0.12 -0.50 0.26 0.00 0.82 0.00 0.00 66.70 67.16 3ifr h VAL 200 Cb 1.64 0.49 -0.11 0.00 -1.52 0.00 0.00 31.29 31.78 3ifr h VAL 200 CO 0.19 0.21 0.64 0.00 0.02 0.00 0.00 177.57 178.63 3ifr h ALA 201 N 1.13 2.02 -0.73 1.67 0.00 -0.44 1.00 119.26 123.91 3ifr h ALA 201 Ca 0.20 0.10 0.21 0.00 0.00 0.00 0.00 54.91 55.42 3ifr h ALA 201 Cb 0.06 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3ifr h ALA 201 CO -0.03 -0.47 0.54 -0.07 0.00 0.00 0.00 179.25 179.21 3ifr h LEU 202 N 0.48 0.00 -1.12 0.00 3.38 -1.45 0.17 115.31 116.77 3ifr h LEU 202 Ca 0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.60 3ifr h LEU 202 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 3ifr h LEU 202 CO -0.40 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 178.09 3ifr n ALA 203 N -2.66 2.64 -2.00 1.53 0.00 0.34 -4.93 120.51 115.43 3ifr n ALA 203 Ca 0.15 -0.50 -0.18 0.00 0.00 0.00 0.00 53.44 52.91 3ifr n ALA 203 Cb 0.81 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.15 3ifr n ALA 203 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ifr n HIS 204 N 0.32 -0.50 -4.12 0.00 8.25 0.59 -4.50 115.22 115.26 3ifr n HIS 204 Ca 0.17 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.39 3ifr n HIS 204 Cb 0.41 -3.38 -0.05 0.00 1.12 0.00 0.00 29.99 28.09 3ifr n HIS 204 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3ifr s ILE 205 N -2.81 4.39 0.50 1.59 -4.36 -1.26 -5.08 121.20 114.17 3ifr s ILE 205 Ca 0.00 -1.32 -0.22 0.00 -0.26 0.00 0.00 60.65 58.85 3ifr s ILE 205 Cb 0.00 -3.32 -0.06 0.00 1.25 0.00 0.00 42.46 40.32 3ifr s ILE 205 CO 0.00 -0.26 1.18 -2.16 0.24 0.00 0.00 174.94 173.94 3ifr s PRO 206 N -3.56 3.54 0.56 0.37 0.04 -1.26 -4.46 135.00 130.23 3ifr s PRO 206 Ca 0.32 1.79 0.32 0.00 0.04 0.00 0.00 61.00 63.47 3ifr s PRO 206 Cb -0.09 -2.26 1.62 0.00 0.04 0.00 0.00 34.50 33.81 3ifr s PRO 206 CO 0.24 -0.74 2.11 -1.35 0.04 0.00 0.00 177.00 177.30 3ifr h PRO 207 N 1.71 0.00 0.00 0.56 0.11 -1.94 0.72 132.00 133.16 3ifr h PRO 207 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3ifr h PRO 207 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3ifr h PRO 207 CO 0.59 0.07 0.00 0.66 -0.21 0.00 0.00 178.00 179.11 3ifr h SER 208 N 0.00 0.00 1.30 -2.05 4.64 -1.94 -3.00 113.55 112.50 3ifr h SER 208 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ifr h SER 208 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3ifr h SER 208 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 3ifr h ALA 209 N 2.01 1.00 -3.01 5.18 0.00 -1.01 -3.41 119.26 120.01 3ifr h ALA 209 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 3ifr h ALA 209 Cb 0.29 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.87 3ifr h ALA 209 CO 0.00 0.00 -0.60 0.08 0.00 0.00 0.00 179.25 178.73 3ifr s VAL 210 N -3.34 4.51 0.75 0.00 1.01 -1.14 -1.37 120.40 120.82 3ifr s VAL 210 Ca 0.05 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 3ifr s VAL 210 Cb 0.09 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.41 3ifr s VAL 210 CO 0.55 0.35 1.08 -2.84 0.00 0.00 0.00 175.10 174.24 3ifr s PRO 211 N 1.38 2.51 0.53 2.72 0.02 -1.26 -4.94 135.00 135.95 3ifr s PRO 211 Ca 0.05 0.98 -0.22 0.00 0.02 0.00 0.00 61.00 61.84 3ifr s PRO 211 Cb -0.15 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.38 3ifr s PRO 211 CO 0.04 -1.41 1.29 -2.14 -0.33 0.00 0.00 177.00 174.44 3ifr s PRO 212 N -5.00 3.28 0.53 5.54 0.02 -1.26 -4.39 135.00 133.71 3ifr s PRO 212 Ca 0.60 2.06 -0.19 0.00 0.02 0.00 0.00 61.00 63.48 3ifr s PRO 212 Cb -0.15 -2.25 -0.06 0.00 0.02 0.00 0.00 34.50 32.05 3ifr s PRO 212 CO 0.55 -1.03 1.09 0.00 -0.33 0.00 0.00 177.00 177.28 3ifr s ALA 213 N -1.40 2.75 -0.01 -1.55 0.00 -1.26 -1.82 121.76 118.47 3ifr s ALA 213 Ca 0.70 0.68 0.00 0.00 0.00 0.00 0.00 51.96 53.35 3ifr s ALA 213 Cb -0.36 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.47 3ifr s ALA 213 CO 0.42 -0.64 0.00 -1.58 0.00 0.00 0.00 175.76 173.97 3ifr s HIS 214 N -1.96 0.09 0.10 0.00 5.04 0.10 -4.84 115.29 113.83 3ifr s HIS 214 Ca 0.69 0.03 -0.26 0.00 -1.54 0.00 0.00 55.06 53.99 3ifr s HIS 214 Cb -0.20 -0.15 -0.06 0.00 0.04 0.00 0.00 32.58 32.20 3ifr s HIS 214 CO 0.26 -0.04 0.79 -1.25 -2.34 0.00 0.00 174.74 172.16 3ifr s PRO 215 N 0.44 4.55 0.25 2.88 0.04 -1.26 -1.87 135.00 140.03 3ifr s PRO 215 Ca -0.04 1.15 -0.07 0.00 0.04 0.00 0.00 61.00 62.07 3ifr s PRO 215 Cb -0.06 -3.32 0.45 0.00 0.04 0.00 0.00 34.50 31.60 3ifr s PRO 215 CO -0.01 0.39 1.61 1.15 0.04 0.00 0.00 177.00 180.18 3ifr h THR 216 N 3.79 0.23 0.00 1.26 2.02 -1.84 -2.44 112.91 115.93 3ifr h THR 216 Ca -0.45 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 3ifr h THR 216 Cb 1.21 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3ifr h THR 216 CO 0.69 0.01 -0.05 1.12 0.37 0.00 0.00 175.52 177.66 3ifr h HIS 217 N 0.05 0.00 -3.86 3.16 2.07 -1.86 -1.44 115.15 113.26 3ifr h HIS 217 Ca 0.43 0.00 -0.47 0.00 -2.85 0.00 0.00 60.37 57.48 3ifr h HIS 217 Cb 0.74 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.70 3ifr h HIS 217 CO -0.52 0.05 0.21 1.03 -3.07 0.00 0.00 177.93 175.63 3ifr s ARG 218 N -3.81 4.14 0.22 5.12 0.52 -0.92 -4.82 118.95 119.40 3ifr s ARG 218 Ca -0.00 0.90 -0.31 0.00 -0.52 0.00 0.00 55.73 55.79 3ifr s ARG 218 Cb 0.10 -2.38 -0.11 0.00 0.52 0.00 0.00 34.95 33.09 3ifr s ARG 218 CO 0.54 0.10 1.55 0.08 0.02 0.00 0.00 175.30 177.60 3ifr s VAL 219 N -2.02 2.45 -0.17 3.52 1.01 -1.26 -1.58 120.40 122.36 3ifr s VAL 219 Ca 0.56 0.35 -0.03 0.00 0.00 0.00 0.00 61.98 62.86 3ifr s VAL 219 Cb -0.11 -3.22 -0.23 0.00 0.00 0.00 0.00 36.38 32.82 3ifr s VAL 219 CO 0.16 0.04 0.17 -0.11 0.00 0.00 0.00 175.10 175.36 3ifr n LEU 220 N 3.12 2.71 0.00 3.92 7.94 0.91 -4.80 117.00 130.81 3ifr n LEU 220 Ca 0.11 0.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.10 3ifr n LEU 220 Cb 0.38 -1.02 0.00 0.00 0.53 0.00 0.00 43.42 43.32 3ifr n LEU 220 CO 0.62 0.88 0.00 0.61 -1.11 0.00 0.00 177.39 178.38 3ifr n GLY 221 N 2.08 -0.65 3.17 -3.96 0.00 -0.76 -4.94 105.19 100.12 3ifr n GLY 221 Ca -0.36 -0.51 -0.17 0.00 0.00 0.00 0.00 46.02 44.98 3ifr n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ifr s ALA 222 N -1.00 1.15 0.12 4.61 0.00 -1.26 -0.26 121.76 125.12 3ifr s ALA 222 Ca 0.00 -1.07 -0.31 0.00 0.00 0.00 0.00 51.96 50.58 3ifr s ALA 222 Cb 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 23.12 22.97 3ifr s ALA 222 CO 0.00 0.09 1.70 0.08 0.00 0.00 0.00 175.76 177.63 3ifr s VAL 223 N -1.71 2.66 0.90 0.00 1.01 -0.02 -4.12 120.40 119.12 3ifr s VAL 223 Ca 0.01 0.28 -0.13 0.00 0.00 0.00 0.00 61.98 62.13 3ifr s VAL 223 Cb -0.07 -3.18 0.17 0.00 0.00 0.00 0.00 36.38 33.30 3ifr s VAL 223 CO 0.02 0.01 1.24 0.42 0.00 0.00 0.00 175.10 176.79 3ifr s THR 224 N 2.17 2.03 -0.00 3.92 -4.23 -0.33 0.18 115.64 119.38 3ifr s THR 224 Ca 0.75 -0.11 -0.25 0.00 -1.18 0.00 0.00 61.69 60.91 3ifr s THR 224 Cb -0.44 -2.93 -0.19 0.00 1.34 0.00 0.00 72.50 70.29 3ifr s THR 224 CO 0.33 0.00 1.33 0.00 -0.54 0.00 0.00 174.62 175.74 3ifr h ALA 225 N -1.36 0.03 -0.87 3.99 0.00 -1.94 0.10 119.26 119.21 3ifr h ALA 225 Ca -0.43 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 54.41 3ifr h ALA 225 Cb 1.25 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 3ifr h ALA 225 CO 0.42 -0.24 0.46 0.93 0.00 0.00 0.00 179.25 180.82 3ifr h GLU 226 N -0.38 0.61 0.00 0.00 4.39 -1.95 -1.54 114.58 115.70 3ifr h GLU 226 Ca 0.00 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 3ifr h GLU 226 Cb 0.46 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 3ifr h GLU 226 CO 0.00 0.40 -0.68 0.00 -1.16 0.00 0.00 179.01 177.58 3ifr h ALA 227 N 1.58 0.65 -0.00 3.43 0.00 -1.78 -1.93 119.26 121.21 3ifr h ALA 227 Ca 0.49 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ifr h ALA 227 Cb 0.72 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3ifr h ALA 227 CO -0.38 0.71 0.00 0.00 0.00 0.00 0.00 179.25 179.58 3ifr h ALA 228 N 1.46 0.01 -0.10 0.00 0.00 -0.34 -1.47 119.26 118.81 3ifr h ALA 228 Ca -0.03 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.82 3ifr h ALA 228 Cb 1.44 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.17 3ifr h ALA 228 CO 0.07 -0.39 -0.34 0.00 0.00 0.00 0.00 179.25 178.59 3ifr h ALA 229 N 0.79 -0.44 0.00 0.00 0.00 -1.01 0.57 119.26 119.17 3ifr h ALA 229 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3ifr h ALA 229 Cb 0.21 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3ifr h ALA 229 CO -0.00 -0.83 -0.28 -0.07 0.00 0.00 0.00 179.25 178.06 3ifr h LEU 230 N -0.44 0.00 0.00 0.00 3.38 -1.34 -3.33 115.31 113.58 3ifr h LEU 230 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3ifr h LEU 230 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3ifr h LEU 230 CO -0.34 0.28 -1.39 0.35 0.09 0.00 0.00 178.44 177.43 3ifr n THR 231 N -4.04 0.00 0.00 0.22 -2.24 -0.56 -4.80 114.28 102.86 3ifr n THR 231 Ca -0.02 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3ifr n THR 231 Cb 0.34 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 3ifr n THR 231 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ifr n GLY 232 N 1.61 3.11 3.61 3.38 0.00 0.17 -2.46 105.19 114.61 3ifr n GLY 232 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3ifr n GLY 232 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ifr n LEU 233 N 0.00 2.63 -4.76 0.99 4.32 -1.25 -4.90 117.00 114.03 3ifr n LEU 233 Ca 0.00 1.01 -0.40 0.00 -0.02 0.00 0.00 56.01 56.61 3ifr n LEU 233 Cb 0.00 -1.35 0.02 0.00 -1.62 0.00 0.00 43.42 40.47 3ifr n LEU 233 CO 0.00 -1.54 1.05 -2.84 -1.22 0.00 0.00 177.39 172.84 3ifr s PRO 234 N -2.06 3.63 0.39 3.23 0.02 -1.26 -4.45 135.00 134.49 3ifr s PRO 234 Ca 0.64 2.37 -0.27 0.00 0.02 0.00 0.00 61.00 63.76 3ifr s PRO 234 Cb -0.54 -2.61 -0.11 0.00 0.02 0.00 0.00 34.50 31.26 3ifr s PRO 234 CO 0.56 -0.85 1.39 2.41 -0.33 0.00 0.00 177.00 180.19 3ifr n THR 235 N -0.29 2.22 -0.68 0.99 -1.04 -1.26 -2.60 114.28 111.63 3ifr n THR 235 Ca 0.06 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.57 3ifr n THR 235 Cb 0.42 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.15 3ifr n THR 235 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ifr n GLY 236 N 0.61 1.23 3.65 3.41 0.00 0.13 -4.94 105.19 109.28 3ifr n GLY 236 Ca 0.04 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.49 3ifr n GLY 236 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ifr n LEU 237 N 0.00 1.76 -4.72 0.99 7.94 -1.07 -4.35 117.00 117.55 3ifr n LEU 237 Ca 0.00 1.11 -0.43 0.00 -1.11 0.00 0.00 56.01 55.58 3ifr n LEU 237 Cb 0.00 -1.11 -0.03 0.00 0.53 0.00 0.00 43.42 42.81 3ifr n LEU 237 CO 0.00 -0.85 1.28 -2.65 -1.11 0.00 0.00 177.39 174.06 3ifr n PRO 238 N 3.78 2.61 -4.52 1.96 -0.02 -1.26 -0.84 135.00 136.71 3ifr n PRO 238 Ca 0.23 0.93 -0.33 0.00 -2.02 0.00 0.00 63.50 62.31 3ifr n PRO 238 Cb 0.13 -2.73 -0.15 0.00 -0.02 0.00 0.00 33.50 30.73 3ifr n PRO 238 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ifr s VAL 239 N 0.63 2.82 0.76 -1.45 1.01 0.64 -1.43 120.40 123.38 3ifr s VAL 239 Ca 0.71 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 3ifr s VAL 239 Cb -0.54 -2.20 0.09 0.00 0.00 0.00 0.00 36.38 33.73 3ifr s VAL 239 CO 0.40 0.51 1.08 -0.31 0.00 0.00 0.00 175.10 176.78 3ifr s TYR 240 N 0.78 2.69 0.47 5.22 1.51 -0.68 -0.06 117.35 127.27 3ifr s TYR 240 Ca -0.05 0.44 -0.23 0.00 -1.01 0.00 0.00 57.07 56.22 3ifr s TYR 240 Cb -0.15 -3.35 -0.08 0.00 -0.11 0.00 0.00 41.96 38.26 3ifr s TYR 240 CO 0.01 -1.65 1.16 0.41 -1.11 0.00 0.00 175.55 174.37 3ifr n GLY 241 N -3.10 0.23 3.75 0.71 0.00 -0.54 -4.38 105.19 101.86 3ifr n GLY 241 Ca 0.09 0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 3ifr n GLY 241 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ifr s GLY 242 N -0.77 2.48 -0.07 -0.02 0.00 -1.26 -4.53 107.32 103.14 3ifr s GLY 242 Ca 0.66 0.86 0.05 0.00 0.00 0.00 0.00 44.72 46.28 3ifr s GLY 242 CO 0.54 1.24 -0.24 0.00 0.00 0.00 0.00 173.10 174.65 3ifr s ALA 243 N -1.89 2.12 0.04 3.20 0.00 -0.37 -4.33 121.76 120.53 3ifr s ALA 243 Ca 0.74 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 51.41 3ifr s ALA 243 Cb -0.27 -0.72 -0.08 0.00 0.00 0.00 0.00 23.12 22.05 3ifr s ALA 243 CO 0.38 0.35 1.63 0.00 0.00 0.00 0.00 175.76 178.13 3ifr s ALA 244 N 0.07 3.66 0.19 0.00 0.00 -1.26 -3.43 121.76 120.99 3ifr s ALA 244 Ca -0.10 1.14 -0.13 0.00 0.00 0.00 0.00 51.96 52.86 3ifr s ALA 244 Cb -0.15 -3.70 0.20 0.00 0.00 0.00 0.00 23.12 19.47 3ifr s ALA 244 CO 0.06 -1.14 1.69 0.38 0.00 0.00 0.00 175.76 176.75 3ifr h ASP 245 N 8.51 -0.17 0.12 0.00 2.03 -1.80 -1.92 116.42 123.19 3ifr h ASP 245 Ca -0.42 0.11 -0.10 0.00 -0.73 0.00 0.00 57.03 55.90 3ifr h ASP 245 Cb 1.20 0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 39.88 3ifr h ASP 245 CO 0.93 -0.05 -0.33 1.12 -1.03 0.00 0.00 179.24 179.87 3ifr h HIS 246 N 0.14 0.36 -0.49 4.15 2.07 -1.92 -1.67 115.15 117.78 3ifr h HIS 246 Ca 0.26 -0.08 -0.10 0.00 -2.85 0.00 0.00 60.37 57.60 3ifr h HIS 246 Cb 0.38 -0.09 -0.02 0.00 2.57 0.00 0.00 27.41 30.26 3ifr h HIS 246 CO -0.30 0.62 -0.06 0.82 -3.07 0.00 0.00 177.93 175.94 3ifr h ILE 247 N 0.28 1.27 -0.37 6.12 1.08 -1.87 -1.13 117.51 122.88 3ifr h ILE 247 Ca 0.03 -1.18 -0.07 0.00 -0.39 0.00 0.00 64.86 63.25 3ifr h ILE 247 Cb 0.72 1.03 -0.02 0.00 -3.07 0.00 0.00 36.82 35.48 3ifr h ILE 247 CO 0.06 0.41 -0.08 0.00 -0.69 0.00 0.00 178.15 177.85 3ifr h ALA 248 N 0.91 1.17 -0.72 1.87 0.00 -1.15 -0.38 119.26 120.96 3ifr h ALA 248 Ca 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3ifr h ALA 248 Cb 0.60 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3ifr h ALA 248 CO 0.04 0.53 0.36 0.77 0.00 0.00 0.00 179.25 180.95 3ifr h SER 249 N 0.58 0.93 0.24 0.00 0.02 -1.10 -0.95 113.55 113.27 3ifr h SER 249 Ca 0.11 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3ifr h SER 249 Cb 0.49 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.79 3ifr h SER 249 CO 0.03 0.79 -0.11 0.00 -1.14 0.00 0.00 176.83 176.39 3ifr h ALA 250 N 1.18 -0.32 -0.66 3.77 0.00 -0.09 -1.40 119.26 121.75 3ifr h ALA 250 Ca 0.25 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.20 3ifr h ALA 250 Cb 0.09 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 17.88 3ifr h ALA 250 CO -0.03 -0.66 -0.24 1.25 0.00 0.00 0.00 179.25 179.57 3ifr h LEU 251 N -0.36 -0.85 -1.74 0.00 5.85 -0.98 -0.06 115.31 117.17 3ifr h LEU 251 Ca -0.03 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3ifr h LEU 251 Cb 0.28 0.49 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3ifr h LEU 251 CO 0.05 -0.26 0.03 0.00 -0.34 0.00 0.00 178.44 177.92 3ifr h ALA 252 N 1.42 1.80 0.00 1.25 0.00 -0.89 0.28 119.26 123.12 3ifr h ALA 252 Ca 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ifr h ALA 252 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ifr h ALA 252 CO -0.71 0.16 0.00 0.00 0.00 0.00 0.00 179.25 178.71 3ifr n ALA 253 N -2.51 2.56 -1.36 0.00 0.00 -0.11 -4.58 120.51 114.50 3ifr n ALA 253 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3ifr n ALA 253 Cb 0.13 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3ifr n ALA 253 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ifr n GLY 254 N 0.76 0.61 3.44 0.00 0.00 1.00 -5.01 105.19 105.99 3ifr n GLY 254 Ca 0.19 -0.78 -0.44 0.00 0.00 0.00 0.00 46.02 44.99 3ifr n GLY 254 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ifr s ILE 255 N -2.00 4.55 0.00 -0.61 1.09 -0.75 -4.72 121.20 118.76 3ifr s ILE 255 Ca 0.00 -0.92 0.00 0.00 -1.10 0.00 0.00 60.65 58.63 3ifr s ILE 255 Cb 0.00 -4.70 0.00 0.00 -1.06 0.00 0.00 42.46 36.70 3ifr s ILE 255 CO 0.00 -1.44 0.00 0.35 -0.10 0.00 0.00 174.94 173.75 3ifr n THR 256 N 5.71 0.00 -4.79 2.92 -2.24 -1.26 -4.12 114.28 110.50 3ifr n THR 256 Ca 0.06 -0.10 -0.31 0.00 -2.27 0.00 0.00 64.05 61.44 3ifr n THR 256 Cb 0.46 0.55 -0.13 0.00 -2.10 0.00 0.00 70.33 69.10 3ifr n THR 256 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3ifr s ARG 257 N -0.87 2.02 -0.08 -0.78 0.52 -1.26 -4.94 118.95 113.56 3ifr s ARG 257 Ca 0.00 -1.00 -0.40 0.00 -0.52 0.00 0.00 55.73 53.81 3ifr s ARG 257 Cb 0.00 -2.13 -0.18 0.00 0.52 0.00 0.00 34.95 33.16 3ifr s ARG 257 CO 0.00 0.54 1.34 -2.30 0.02 0.00 0.00 175.30 174.90 3ifr n PRO 258 N 1.72 0.59 0.00 3.54 -0.02 -1.26 -1.05 135.00 138.52 3ifr n PRO 258 Ca -0.16 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3ifr n PRO 258 Cb 0.52 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3ifr n PRO 258 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ifr n GLY 259 N 2.60 1.49 3.75 -1.23 0.00 0.11 -4.93 105.19 106.98 3ifr n GLY 259 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 3ifr n GLY 259 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ifr s ASP 260 N -1.67 6.88 -0.05 1.61 1.01 -0.22 0.50 116.67 124.74 3ifr s ASP 260 Ca 0.00 2.48 0.02 0.00 0.71 0.00 0.00 52.55 55.76 3ifr s ASP 260 Cb 0.00 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.32 3ifr s ASP 260 CO 0.00 -0.50 -0.08 -0.69 0.21 0.00 0.00 175.17 174.11 3ifr s VAL 261 N -0.33 0.77 -0.13 -1.27 1.01 0.36 -1.42 120.40 119.39 3ifr s VAL 261 Ca 0.54 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.18 3ifr s VAL 261 Cb -0.37 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 3ifr s VAL 261 CO 0.42 0.27 0.08 -0.22 0.00 0.00 0.00 175.10 175.66 3ifr s LEU 262 N 0.75 4.01 -0.21 3.92 2.96 0.53 -0.25 118.68 130.38 3ifr s LEU 262 Ca -0.12 0.27 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 3ifr s LEU 262 Cb -0.15 -1.98 0.04 0.00 0.50 0.00 0.00 46.19 44.60 3ifr s LEU 262 CO 0.02 0.33 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.45 3ifr s LEU 263 N -0.54 2.63 -0.40 -0.68 1.02 0.15 -2.27 118.68 118.59 3ifr s LEU 263 Ca 0.11 -0.93 -0.09 0.00 0.02 0.00 0.00 54.13 53.24 3ifr s LEU 263 Cb -0.12 -1.51 0.06 0.00 0.02 0.00 0.00 46.19 44.65 3ifr s LEU 263 CO 0.02 -0.07 0.22 -0.75 0.02 0.00 0.00 176.35 175.79 3ifr s LYS 264 N 1.22 2.62 -1.33 1.70 2.20 -0.63 -1.58 119.74 123.93 3ifr s LYS 264 Ca -0.00 -1.36 -0.09 0.00 -0.36 0.00 0.00 55.97 54.16 3ifr s LYS 264 Cb -0.16 -3.71 0.13 0.00 -1.51 0.00 0.00 37.83 32.58 3ifr s LYS 264 CO -0.10 -0.87 2.11 1.19 -0.36 0.00 0.00 175.35 177.33 3ifr n PHE 265 N 4.90 2.86 -2.58 4.03 3.72 -0.59 -2.62 117.46 127.19 3ifr n PHE 265 Ca -0.10 -2.83 -0.08 0.00 -0.05 0.00 0.00 57.45 54.38 3ifr n PHE 265 Cb 0.44 -2.01 0.04 0.00 -0.94 0.00 0.00 39.48 37.00 3ifr n PHE 265 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ifr n GLY 266 N 2.70 1.12 0.18 1.37 0.00 -1.26 -2.04 105.19 107.26 3ifr n GLY 266 Ca 0.49 -2.04 -0.04 0.00 0.00 0.00 0.00 46.02 44.43 3ifr n GLY 266 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ifr h GLY 267 N -0.14 0.49 -4.96 -0.02 0.00 -1.92 0.16 103.07 96.68 3ifr h GLY 267 Ca -0.11 0.02 -0.66 0.00 0.00 0.00 0.00 47.33 46.58 3ifr h GLY 267 CO 0.13 -0.08 -0.60 0.00 0.00 0.00 0.00 176.54 175.99 3ifr s ALA 268 N -6.16 3.48 0.15 3.60 0.00 -1.26 -0.77 121.76 120.79 3ifr s ALA 268 Ca -0.13 -0.91 -0.08 0.00 0.00 0.00 0.00 51.96 50.84 3ifr s ALA 268 Cb 0.15 -1.49 -0.06 0.00 0.00 0.00 0.00 23.12 21.71 3ifr s ALA 268 CO 0.72 0.68 0.44 0.20 0.00 0.00 0.00 175.76 177.79 3ifr s GLY 269 N -1.70 2.29 0.15 0.00 0.00 -1.26 -4.85 107.32 101.94 3ifr s GLY 269 Ca 0.22 -0.41 0.08 0.00 0.00 0.00 0.00 44.72 44.61 3ifr s GLY 269 CO 0.13 -0.26 -0.17 0.99 0.00 0.00 0.00 173.10 173.79 3ifr s ASP 270 N -2.19 2.43 -0.04 1.64 1.01 -1.08 -4.19 116.67 114.24 3ifr s ASP 270 Ca 0.40 -0.84 0.00 0.00 0.71 0.00 0.00 52.55 52.83 3ifr s ASP 270 Cb -0.12 -0.12 0.02 0.00 1.01 0.00 0.00 42.92 43.71 3ifr s ASP 270 CO 0.22 -0.07 -0.02 -0.51 0.21 0.00 0.00 175.17 174.99 3ifr s ILE 271 N -2.05 0.38 -0.02 0.77 2.07 0.47 -1.61 121.20 121.21 3ifr s ILE 271 Ca 0.13 -0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.39 3ifr s ILE 271 Cb -0.06 -0.46 0.00 0.00 0.13 0.00 0.00 42.46 42.08 3ifr s ILE 271 CO 0.05 0.20 -0.09 -0.63 -1.91 0.00 0.00 174.94 172.57 3ifr s ILE 272 N 1.16 0.73 -0.01 2.00 1.01 -0.96 -0.37 121.20 124.76 3ifr s ILE 272 Ca -0.08 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.24 3ifr s ILE 272 Cb -0.14 -0.65 0.00 0.00 0.01 0.00 0.00 42.46 41.68 3ifr s ILE 272 CO -0.01 0.23 -0.03 -0.69 0.00 0.00 0.00 174.94 174.44 3ifr s VAL 273 N 0.15 0.23 0.03 2.92 1.01 -0.90 -0.35 120.40 123.49 3ifr s VAL 273 Ca -0.02 -0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.69 3ifr s VAL 273 Cb -0.08 -0.21 -0.06 0.00 0.00 0.00 0.00 36.38 36.03 3ifr s VAL 273 CO 0.00 0.08 0.48 0.00 0.00 0.00 0.00 175.10 175.66 3ifr s ALA 274 N 0.09 3.65 -0.10 5.51 0.00 -0.51 -3.26 121.76 127.14 3ifr s ALA 274 Ca -0.01 -0.11 -0.18 0.00 0.00 0.00 0.00 51.96 51.66 3ifr s ALA 274 Cb -0.03 -2.49 0.04 0.00 0.00 0.00 0.00 23.12 20.64 3ifr s ALA 274 CO -0.00 0.45 0.45 0.45 0.00 0.00 0.00 175.76 177.11 3ifr s SER 275 N -1.10 -0.42 0.00 0.00 0.15 -0.80 0.05 113.70 111.58 3ifr s SER 275 Ca 0.26 0.61 0.29 0.00 0.70 0.00 0.00 55.95 57.81 3ifr s SER 275 Cb -0.18 0.66 1.37 0.00 -1.71 0.00 0.00 66.02 66.16 3ifr s SER 275 CO 0.16 -0.34 1.96 0.00 1.20 0.00 0.00 173.24 176.22 3ifr n ALA 276 N 1.95 2.58 -2.71 5.45 0.00 -1.26 -0.97 120.51 125.54 3ifr n ALA 276 Ca -0.17 -0.18 -0.37 0.00 0.00 0.00 0.00 53.44 52.72 3ifr n ALA 276 Cb 0.57 -1.43 -0.11 0.00 0.00 0.00 0.00 19.45 18.47 3ifr n ALA 276 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ifr s THR 277 N -2.62 5.08 -0.27 0.00 2.01 -1.26 -4.82 115.64 113.76 3ifr s THR 277 Ca 0.26 0.09 -0.13 0.00 0.31 0.00 0.00 61.69 62.21 3ifr s THR 277 Cb 0.20 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 3ifr s THR 277 CO 0.48 0.30 0.30 0.00 -0.69 0.00 0.00 174.62 175.01 3ifr s ALA 278 N 1.52 3.55 -0.29 7.40 0.00 -1.26 -4.80 121.76 127.88 3ifr s ALA 278 Ca 0.07 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.14 3ifr s ALA 278 Cb -0.15 -2.61 0.20 0.00 0.00 0.00 0.00 23.12 20.56 3ifr s ALA 278 CO 0.08 -0.58 0.69 0.21 0.00 0.00 0.00 175.76 176.15 3ifr s LYS 279 N 1.88 0.47 1.06 0.00 2.20 -1.26 -5.14 119.74 118.95 3ifr s LYS 279 Ca 0.12 0.50 -0.15 0.00 -0.36 0.00 0.00 55.97 56.08 3ifr s LYS 279 Cb -0.16 0.24 0.12 0.00 -1.51 0.00 0.00 37.83 36.52 3ifr s LYS 279 CO 0.10 -0.84 0.43 -1.13 -0.36 0.00 0.00 175.35 173.55 3ifr n SER 280 N 5.36 -1.88 -3.64 1.43 3.41 -1.26 -5.01 113.62 112.03 3ifr n SER 280 Ca 0.05 0.07 -0.07 0.00 -0.26 0.00 0.00 58.87 58.67 3ifr n SER 280 Cb 0.54 -1.15 -0.07 0.00 -0.26 0.00 0.00 64.21 63.28 3ifr n SER 280 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ifr s ASP 281 N -2.08 -0.53 0.23 4.04 2.15 -1.25 -4.99 116.67 114.24 3ifr s ASP 281 Ca 0.60 0.93 0.01 0.00 0.43 0.00 0.00 52.55 54.51 3ifr s ASP 281 Cb -0.18 1.07 0.05 0.00 -0.30 0.00 0.00 42.92 43.56 3ifr s ASP 281 CO 0.66 -0.15 0.73 -2.65 -0.17 0.00 0.00 175.17 173.58 3ifr n PRO 282 N 2.99 0.02 -0.01 4.34 -0.02 -1.26 -0.80 135.00 140.25 3ifr n PRO 282 Ca -0.15 0.35 0.06 0.00 -2.02 0.00 0.00 63.50 61.74 3ifr n PRO 282 Cb 0.57 -2.18 -0.10 0.00 -0.02 0.00 0.00 33.50 31.77 3ifr n PRO 282 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3ifr n ARG 283 N -1.56 0.54 -3.78 -0.52 1.74 -1.26 -4.98 116.66 106.84 3ifr n ARG 283 Ca -0.00 -0.11 -0.13 0.00 -0.77 0.00 0.00 57.85 56.84 3ifr n ARG 283 Cb 0.64 -1.29 -0.11 0.00 -1.02 0.00 0.00 32.46 30.67 3ifr n ARG 283 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ifr s LEU 284 N -3.81 0.98 0.24 0.55 1.43 0.02 -4.96 118.68 113.12 3ifr s LEU 284 Ca -0.04 0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 53.56 3ifr s LEU 284 Cb 0.08 0.92 -0.05 0.00 0.03 0.00 0.00 46.19 47.17 3ifr s LEU 284 CO 0.53 -0.09 0.48 -0.31 0.23 0.00 0.00 176.35 177.19 3ifr s TYR 285 N 0.14 3.47 0.09 0.29 2.02 0.15 -3.83 117.35 119.68 3ifr s TYR 285 Ca -0.00 0.56 0.04 0.00 -0.37 0.00 0.00 57.07 57.30 3ifr s TYR 285 Cb -0.02 -2.03 -0.04 0.00 -0.40 0.00 0.00 41.96 39.47 3ifr s TYR 285 CO 0.00 0.27 0.02 -1.17 -1.57 0.00 0.00 175.55 173.11 3ifr s LEU 286 N -3.31 3.57 0.10 -1.29 2.96 -0.47 -0.53 118.68 119.71 3ifr s LEU 286 Ca 0.42 -0.12 -0.06 0.00 -0.22 0.00 0.00 54.13 54.15 3ifr s LEU 286 Cb -0.11 -2.28 -0.02 0.00 0.50 0.00 0.00 46.19 44.28 3ifr s LEU 286 CO 0.28 0.18 0.14 -1.81 -1.32 0.00 0.00 176.35 173.82 3ifr s ASP 287 N -2.32 0.22 0.30 3.68 1.11 -1.23 -4.69 116.67 113.74 3ifr s ASP 287 Ca 0.27 -0.88 -0.27 0.00 0.18 0.00 0.00 52.55 51.85 3ifr s ASP 287 Cb -0.12 0.32 -0.10 0.00 1.07 0.00 0.00 42.92 44.10 3ifr s ASP 287 CO 0.19 -0.74 0.94 -0.31 1.18 0.00 0.00 175.17 176.43 3ifr s TYR 288 N -3.93 3.76 0.88 4.23 2.02 -1.26 -0.70 117.35 122.35 3ifr s TYR 288 Ca 0.12 1.80 -0.12 0.00 -0.37 0.00 0.00 57.07 58.50 3ifr s TYR 288 Cb 0.06 -2.93 0.12 0.00 -0.40 0.00 0.00 41.96 38.81 3ifr s TYR 288 CO -0.06 0.27 1.10 -1.58 -1.57 0.00 0.00 175.55 173.71 3ifr s HIS 289 N -1.52 2.44 0.15 2.71 5.65 -0.42 -4.56 115.29 119.74 3ifr s HIS 289 Ca 0.48 1.18 -0.05 0.00 0.25 0.00 0.00 55.06 56.91 3ifr s HIS 289 Cb -0.20 -3.18 -0.01 0.00 -1.18 0.00 0.00 32.58 28.01 3ifr s HIS 289 CO 0.25 -2.28 1.39 -0.07 -0.65 0.00 0.00 174.74 173.38 3ifr h LEU 290 N -1.46 0.64 -9.30 8.88 3.38 -1.89 -3.43 115.31 112.13 3ifr h LEU 290 Ca -0.49 -0.42 -0.54 0.00 0.09 0.00 0.00 57.88 56.52 3ifr h LEU 290 Cb 1.29 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.86 3ifr h LEU 290 CO 0.57 1.18 1.21 -0.69 0.09 0.00 0.00 178.44 180.79 3ifr s VAL 291 N -3.67 3.20 0.11 1.22 1.01 -1.26 -4.56 120.40 116.44 3ifr s VAL 291 Ca -0.07 0.23 -0.33 0.00 0.00 0.00 0.00 61.98 61.81 3ifr s VAL 291 Cb 0.10 -3.16 -0.13 0.00 0.00 0.00 0.00 36.38 33.19 3ifr s VAL 291 CO 0.86 -0.03 1.69 -2.65 0.00 0.00 0.00 175.10 174.97 3ifr n PRO 292 N 7.51 2.29 0.00 2.72 -0.02 -1.26 -1.45 135.00 144.80 3ifr n PRO 292 Ca 0.20 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 3ifr n PRO 292 Cb 0.42 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 3ifr n PRO 292 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ifr n GLY 293 N 3.78 3.15 3.91 -1.23 0.00 -1.26 -5.05 105.19 108.49 3ifr n GLY 293 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 3ifr n GLY 293 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ifr s LEU 294 N 0.00 4.22 0.35 0.99 1.43 -0.53 -4.85 118.68 120.29 3ifr s LEU 294 Ca 0.00 0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.29 3ifr s LEU 294 Cb 0.00 -2.81 -0.02 0.00 0.03 0.00 0.00 46.19 43.39 3ifr s LEU 294 CO 0.00 0.07 0.36 -0.31 0.23 0.00 0.00 176.35 176.70 3ifr s TYR 295 N -1.71 2.93 -0.42 0.29 1.51 -0.14 -1.31 117.35 118.51 3ifr s TYR 295 Ca 0.34 -0.30 0.08 0.00 -1.01 0.00 0.00 57.07 56.17 3ifr s TYR 295 Cb -0.11 -1.91 0.25 0.00 -0.11 0.00 0.00 41.96 40.08 3ifr s TYR 295 CO 0.27 0.08 0.54 0.00 -1.11 0.00 0.00 175.55 175.34 3ifr n ALA 296 N -1.48 2.64 -1.71 3.71 0.00 0.12 -1.90 120.51 121.90 3ifr n ALA 296 Ca -0.00 -3.57 -0.42 0.00 0.00 0.00 0.00 53.44 49.45 3ifr n ALA 296 Cb 0.59 -0.82 -0.01 0.00 0.00 0.00 0.00 19.45 19.22 3ifr n ALA 296 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ifr n PRO 297 N 1.37 2.20 -4.01 0.00 -0.02 -1.20 -3.52 135.00 129.82 3ifr n PRO 297 Ca 0.22 0.77 -0.09 0.00 -2.02 0.00 0.00 63.50 62.38 3ifr n PRO 297 Cb 0.51 -2.38 -0.08 0.00 -0.02 0.00 0.00 33.50 31.54 3ifr n PRO 297 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3ifr s ASN 298 N -0.26 0.14 0.22 2.55 2.20 0.31 -2.11 114.94 117.99 3ifr s ASN 298 Ca 0.56 -0.96 -0.10 0.00 -0.94 0.00 0.00 52.86 51.42 3ifr s ASN 298 Cb -0.56 0.38 -0.01 0.00 -2.00 0.00 0.00 41.25 39.06 3ifr s ASN 298 CO 0.62 -0.82 0.38 -0.83 -2.94 0.00 0.00 177.10 173.51 3ifr s GLY 299 N -2.98 0.62 0.00 0.45 0.00 0.50 -0.68 107.32 105.22 3ifr s GLY 299 Ca 0.18 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.94 3ifr s GLY 299 CO -0.01 -0.77 0.00 0.00 0.00 0.00 0.00 173.10 172.32 3ifr n ALA 302 N -3.00 2.47 -3.77 0.00 0.00 -1.26 -4.62 120.51 110.33 3ifr n ALA 302 Ca 0.00 -0.03 -0.34 0.00 0.00 0.00 0.00 53.44 53.07 3ifr n ALA 302 Cb 0.00 0.49 -0.14 0.00 0.00 0.00 0.00 19.45 19.80 3ifr n ALA 302 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ifr s ALA 303 N -2.01 2.82 0.00 0.00 0.00 -1.26 -4.42 121.76 116.88 3ifr s ALA 303 Ca -0.01 -1.92 0.00 0.00 0.00 0.00 0.00 51.96 50.03 3ifr s ALA 303 Cb 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.19 3ifr s ALA 303 CO 0.01 -1.36 0.00 2.41 0.00 0.00 0.00 175.76 176.83 3ifr n THR 304 N 4.55 0.00 0.16 0.00 -1.04 -0.91 -4.61 114.28 112.44 3ifr n THR 304 Ca -0.11 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.92 3ifr n THR 304 Cb 0.43 0.00 0.36 0.00 -1.82 0.00 0.00 70.33 69.30 3ifr n THR 304 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3ifr h GLY 305 N 0.00 0.11 0.96 3.41 0.00 0.60 -2.60 103.07 105.55 3ifr h GLY 305 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.26 3ifr h GLY 305 CO 0.00 0.08 0.53 1.48 0.00 0.00 0.00 176.54 178.63 3ifr h SER 306 N 0.09 0.90 0.43 0.19 4.64 -1.16 -0.84 113.55 117.81 3ifr h SER 306 Ca 0.01 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3ifr h SER 306 Cb 0.57 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3ifr h SER 306 CO 0.04 0.64 -0.42 0.00 -0.87 0.00 0.00 176.83 176.22 3ifr h ALA 307 N 1.31 1.29 -0.06 5.18 0.00 -1.71 -1.59 119.26 123.68 3ifr h ALA 307 Ca 0.31 -0.38 -0.23 0.00 0.00 0.00 0.00 54.91 54.60 3ifr h ALA 307 Cb -0.08 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ifr h ALA 307 CO -0.08 0.53 -0.88 -0.07 0.00 0.00 0.00 179.25 178.74 3ifr h LEU 308 N 0.00 0.75 -0.15 0.00 4.07 -1.21 -2.29 115.31 116.49 3ifr h LEU 308 Ca -0.00 -0.55 -0.01 0.00 0.08 0.00 0.00 57.88 57.40 3ifr h LEU 308 Cb 0.75 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 3ifr h LEU 308 CO 0.05 1.34 0.06 0.78 -1.08 0.00 0.00 178.44 179.59 3ifr h ASN 309 N 0.38 0.21 -0.30 -0.43 2.35 -0.83 0.38 115.58 117.32 3ifr h ASN 309 Ca -0.08 -0.17 0.04 0.00 -0.55 0.00 0.00 56.30 55.54 3ifr h ASN 309 Cb 1.51 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 39.76 3ifr h ASN 309 CO 0.17 0.32 -0.45 -0.25 -1.65 0.00 0.00 177.43 175.57 3ifr h TRP 310 N 0.08 -1.36 -0.17 1.19 7.01 -1.35 -2.16 115.95 119.19 3ifr h TRP 310 Ca 0.05 0.06 -0.11 0.00 2.11 0.00 0.00 58.89 61.01 3ifr h TRP 310 Cb 0.18 0.63 -0.01 0.00 -2.10 0.00 0.00 29.16 27.86 3ifr h TRP 310 CO -0.01 -0.40 -0.36 1.25 -2.79 0.00 0.00 178.44 176.13 3ifr h LEU 311 N -0.34 0.37 -1.46 0.65 5.85 -1.06 -1.76 115.31 117.56 3ifr h LEU 311 Ca 0.05 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3ifr h LEU 311 Cb 0.48 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 3ifr h LEU 311 CO -0.46 0.70 0.32 0.00 -0.34 0.00 0.00 178.44 178.66 3ifr h ALA 312 N 1.32 1.60 -0.21 1.25 0.00 -0.09 0.29 119.26 123.41 3ifr h ALA 312 Ca 0.03 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3ifr h ALA 312 Cb 0.78 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3ifr h ALA 312 CO 0.06 0.36 -0.38 0.87 0.00 0.00 0.00 179.25 180.16 3ifr h LYS 313 N 0.70 0.63 -0.68 0.00 1.57 -0.67 0.34 116.57 118.46 3ifr h LYS 313 Ca 0.18 -0.40 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3ifr h LYS 313 Cb -0.04 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3ifr h LYS 313 CO -0.04 1.01 0.41 -0.07 -0.57 0.00 0.00 179.45 180.19 3ifr h LEU 314 N 0.32 0.82 0.00 2.94 3.38 -1.14 -2.90 115.31 118.73 3ifr h LEU 314 Ca 0.01 -0.06 -0.21 0.00 0.09 0.00 0.00 57.88 57.71 3ifr h LEU 314 Cb 0.98 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 3ifr h LEU 314 CO 0.09 0.64 -1.58 0.18 0.09 0.00 0.00 178.44 177.86 3ifr n LEU 315 N -4.55 0.77 -3.11 1.67 4.32 0.06 -4.34 117.00 111.82 3ifr n LEU 315 Ca 0.06 0.35 -0.22 0.00 -0.02 0.00 0.00 56.01 56.17 3ifr n LEU 315 Cb 0.06 0.13 -0.04 0.00 -1.62 0.00 0.00 43.42 41.95 3ifr n LEU 315 CO 0.37 0.23 -0.08 0.00 -1.22 0.00 0.00 177.39 176.68 3ifr n ALA 316 N -2.46 3.13 -0.00 -1.18 0.00 0.12 -4.99 120.51 115.13 3ifr n ALA 316 Ca -0.13 -3.95 -0.13 0.00 0.00 0.00 0.00 53.44 49.23 3ifr n ALA 316 Cb 0.91 -0.85 -0.07 0.00 0.00 0.00 0.00 19.45 19.44 3ifr n ALA 316 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ifr h PRO 317 N 3.11 -0.48 -2.27 0.00 0.11 -1.66 -2.27 132.00 128.53 3ifr h PRO 317 Ca 0.11 0.03 -0.72 0.00 0.11 0.00 0.00 66.00 65.53 3ifr h PRO 317 Cb 0.77 0.11 -0.33 0.00 0.11 0.00 0.00 31.00 31.66 3ifr h PRO 317 CO 0.63 -0.32 0.38 0.39 -0.21 0.00 0.00 178.00 178.87 3ifr n GLU 318 N -5.44 4.58 -0.00 1.05 1.02 -1.26 -4.50 120.64 116.08 3ifr n GLU 318 Ca -0.04 -4.75 0.05 0.00 -0.02 0.00 0.00 57.16 52.40 3ifr n GLU 318 Cb 0.37 -2.38 -0.07 0.00 -0.02 0.00 0.00 31.44 29.34 3ifr n GLU 318 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ifr n ALA 319 N -0.11 2.88 -0.60 0.62 0.00 -0.86 -5.09 120.51 117.36 3ifr n ALA 319 Ca 0.40 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3ifr n ALA 319 Cb 0.31 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.40 3ifr n ALA 319 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ifr n GLY 320 N 1.55 1.30 0.30 0.00 0.00 -1.26 -2.82 105.19 104.27 3ifr n GLY 320 Ca 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.34 3ifr n GLY 320 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3ifr h GLU 321 N 0.00 0.66 0.00 1.61 4.11 -1.99 -2.92 114.58 116.05 3ifr h GLU 321 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 59.34 3ifr h GLU 321 Cb 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3ifr h GLU 321 CO 0.00 0.55 0.00 0.00 0.07 0.00 0.00 179.01 179.63 3ifr n ALA 322 N -2.47 1.41 -0.00 1.06 0.00 -1.13 -3.72 120.51 115.66 3ifr n ALA 322 Ca 0.03 -0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.30 3ifr n ALA 322 Cb 0.16 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.43 3ifr n ALA 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ifr h ALA 323 N 2.24 -0.86 -0.23 0.00 0.00 -1.62 0.70 119.26 119.50 3ifr h ALA 323 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3ifr h ALA 323 Cb 0.05 0.98 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3ifr h ALA 323 CO 0.00 -1.08 0.03 0.45 0.00 0.00 0.00 179.25 178.65 3ifr h HIS 324 N -0.58 0.04 -0.54 0.00 3.86 -1.86 0.71 115.15 116.78 3ifr h HIS 324 Ca 0.04 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.34 3ifr h HIS 324 Cb 0.68 0.01 -0.07 0.00 1.06 0.00 0.00 27.41 29.10 3ifr h HIS 324 CO -0.57 0.00 0.18 0.00 0.86 0.00 0.00 177.93 178.40 3ifr h ALA 325 N 1.17 0.67 -0.17 2.45 0.00 -1.44 0.28 119.26 122.22 3ifr h ALA 325 Ca 0.10 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3ifr h ALA 325 Cb 0.11 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ifr h ALA 325 CO -0.15 -0.23 0.04 1.96 0.00 0.00 0.00 179.25 180.87 3ifr h GLN 326 N 0.34 0.27 -0.19 0.00 4.20 0.11 -1.68 115.11 118.16 3ifr h GLN 326 Ca 0.27 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 3ifr h GLN 326 Cb 0.33 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3ifr h GLN 326 CO -0.29 0.41 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.15 3ifr h LEU 327 N 0.08 0.27 -0.40 1.46 3.38 -0.71 -2.36 115.31 117.03 3ifr h LEU 327 Ca 0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3ifr h LEU 327 Cb 0.26 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3ifr h LEU 327 CO 0.00 0.36 0.16 0.44 0.09 0.00 0.00 178.44 179.50 3ifr h ASP 328 N 0.28 0.54 -0.71 -0.43 5.19 -0.07 -0.76 116.42 120.46 3ifr h ASP 328 Ca 0.06 -0.16 0.01 0.00 -0.62 0.00 0.00 57.03 56.32 3ifr h ASP 328 Cb 0.28 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 39.61 3ifr h ASP 328 CO 0.01 0.56 0.47 0.00 -3.12 0.00 0.00 179.24 177.16 3ifr h ALA 329 N 1.01 0.90 -0.26 3.45 0.00 -1.06 -0.94 119.26 122.36 3ifr h ALA 329 Ca 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3ifr h ALA 329 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ifr h ALA 329 CO -0.01 0.31 0.08 -0.07 0.00 0.00 0.00 179.25 179.56 3ifr h LEU 330 N 0.95 0.37 -1.32 0.00 -0.00 -1.02 -2.96 115.31 111.33 3ifr h LEU 330 Ca 0.26 -0.20 -0.03 0.00 -0.00 0.00 0.00 57.88 57.91 3ifr h LEU 330 Cb -0.11 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 40.43 3ifr h LEU 330 CO -0.06 0.48 0.16 0.00 -0.00 0.00 0.00 178.44 179.02 3ifr h ALA 331 N 0.91 1.47 -0.93 1.53 0.00 -0.71 -1.21 119.26 120.31 3ifr h ALA 331 Ca 0.08 -0.13 0.27 0.00 0.00 0.00 0.00 54.91 55.14 3ifr h ALA 331 Cb 0.24 -0.18 -0.15 0.00 0.00 0.00 0.00 17.79 17.69 3ifr h ALA 331 CO -0.00 0.41 0.27 0.00 0.00 0.00 0.00 179.25 179.93 3ifr h ALA 332 N 1.56 1.44 -0.09 0.00 0.00 -1.01 -0.72 119.26 120.45 3ifr h ALA 332 Ca 0.15 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3ifr h ALA 332 Cb 0.15 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3ifr h ALA 332 CO -0.01 -0.56 0.00 -1.91 0.00 0.00 0.00 179.25 176.77 3ifr n GLU 333 N -5.26 1.35 -5.18 0.00 4.07 -0.46 -4.81 120.64 110.35 3ifr n GLU 333 Ca 0.25 -0.38 -0.30 0.00 -0.06 0.00 0.00 57.16 56.67 3ifr n GLU 333 Cb 0.80 -1.30 -0.16 0.00 -0.06 0.00 0.00 31.44 30.72 3ifr n GLU 333 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 3ifr s VAL 334 N -1.59 1.90 0.57 6.31 1.01 -0.28 -5.10 120.40 123.21 3ifr s VAL 334 Ca 0.07 -1.00 -0.20 0.00 0.00 0.00 0.00 61.98 60.85 3ifr s VAL 334 Cb 0.04 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 3ifr s VAL 334 CO 0.03 0.53 1.21 -2.84 0.00 0.00 0.00 175.10 174.04 3ifr s PRO 335 N -0.31 3.12 0.08 2.72 0.02 -1.26 -4.88 135.00 134.49 3ifr s PRO 335 Ca 0.02 1.84 -0.36 0.00 0.02 0.00 0.00 61.00 62.52 3ifr s PRO 335 Cb -0.11 -2.02 -0.18 0.00 0.02 0.00 0.00 34.50 32.20 3ifr s PRO 335 CO 0.01 -1.09 1.15 0.00 -0.33 0.00 0.00 177.00 176.74 3ifr n ALA 336 N -1.37 -2.01 0.00 -1.55 0.00 -1.26 -0.93 120.51 113.39 3ifr n ALA 336 Ca 0.12 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.09 3ifr n ALA 336 Cb 0.49 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.02 3ifr n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ifr n GLY 337 N 2.02 1.26 2.87 0.00 0.00 -1.26 -4.56 105.19 105.52 3ifr n GLY 337 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 3ifr n GLY 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ifr n ALA 338 N -1.27 -0.91 -3.15 4.61 0.00 -0.10 -2.73 120.51 116.97 3ifr n ALA 338 Ca 0.00 0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.42 3ifr n ALA 338 Cb 0.00 -2.36 0.05 0.00 0.00 0.00 0.00 19.45 17.14 3ifr n ALA 338 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ifr n ASP 339 N -2.10 -4.12 0.00 0.00 8.00 -1.26 -3.19 116.55 113.87 3ifr n ASP 339 Ca -0.10 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.03 3ifr n ASP 339 Cb 0.59 -3.50 0.00 0.00 -0.02 0.00 0.00 41.12 38.19 3ifr n ASP 339 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ifr n GLY 340 N -1.39 0.75 3.76 0.44 0.00 -1.10 -5.02 105.19 102.63 3ifr n GLY 340 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3ifr n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ifr s LEU 341 N 0.00 4.46 -0.05 0.99 1.43 -1.19 -4.43 118.68 119.88 3ifr s LEU 341 Ca 0.00 2.54 -0.00 0.00 -1.03 0.00 0.00 54.13 55.63 3ifr s LEU 341 Cb 0.00 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.61 3ifr s LEU 341 CO 0.00 -0.43 -0.01 -0.69 0.23 0.00 0.00 176.35 175.45 3ifr s VAL 342 N -0.95 0.35 -0.10 -1.59 1.01 -0.48 -4.77 120.40 113.87 3ifr s VAL 342 Ca 0.49 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.55 3ifr s VAL 342 Cb -0.37 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 3ifr s VAL 342 CO 0.48 0.22 -0.16 0.00 0.00 0.00 0.00 175.10 175.64 3ifr s LEU 344 N 0.02 4.10 -0.59 0.00 1.43 0.05 -4.68 118.68 119.01 3ifr s LEU 344 Ca -0.05 0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 53.31 3ifr s LEU 344 Cb -0.15 -2.32 0.37 0.00 0.03 0.00 0.00 46.19 44.12 3ifr s LEU 344 CO 0.05 -0.05 2.06 -0.81 0.23 0.00 0.00 176.35 177.83 3ifr n PRO 345 N 4.66 2.47 -2.87 1.29 -0.04 -1.26 -0.67 135.00 138.57 3ifr n PRO 345 Ca -0.11 -2.86 -0.42 0.00 -0.04 0.00 0.00 63.50 60.08 3ifr n PRO 345 Cb 0.51 -2.12 0.01 0.00 -0.04 0.00 0.00 33.50 31.87 3ifr n PRO 345 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ifr n TYR 346 N -0.51 2.47 0.23 0.54 4.01 -1.26 -4.61 117.16 118.03 3ifr n TYR 346 Ca 0.54 -2.61 0.12 0.00 -0.16 0.00 0.00 57.90 55.78 3ifr n TYR 346 Cb 0.60 -1.21 0.45 0.00 -0.31 0.00 0.00 39.34 38.87 3ifr n TYR 346 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 3ifr h PHE 347 N 4.91 0.00 -0.24 -0.72 0.04 -1.87 -2.18 116.94 116.88 3ifr h PHE 347 Ca 0.33 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.10 3ifr h PHE 347 Cb 0.50 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.65 3ifr h PHE 347 CO 1.13 0.15 0.00 1.28 -0.60 0.00 0.00 178.31 180.27 3ifr n LEU 348 N -3.25 2.66 0.00 1.54 4.32 -1.26 -4.78 117.00 116.23 3ifr n LEU 348 Ca 0.01 -2.02 0.00 0.00 -0.02 0.00 0.00 56.01 53.98 3ifr n LEU 348 Cb 0.43 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 3ifr n LEU 348 CO 0.32 0.66 0.00 0.61 -1.22 0.00 0.00 177.39 177.76 3ifr n GLY 349 N 0.19 -2.34 2.59 -0.72 0.00 -1.01 -4.99 105.19 98.91 3ifr n GLY 349 Ca 0.08 -1.99 -0.21 0.00 0.00 0.00 0.00 46.02 43.90 3ifr n GLY 349 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ifr n GLU 350 N -0.04 0.88 -2.86 1.61 2.13 -1.16 -4.59 120.64 116.61 3ifr n GLU 350 Ca 0.00 -2.65 -0.11 0.00 0.66 0.00 0.00 57.16 55.06 3ifr n GLU 350 Cb 0.00 1.07 0.01 0.00 0.27 0.00 0.00 31.44 32.80 3ifr n GLU 350 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3ifr n LYS 351 N -0.81 0.68 0.00 5.31 5.02 -1.26 -4.59 118.16 122.52 3ifr n LYS 351 Ca -0.10 -2.13 0.00 0.00 -2.02 0.00 0.00 58.31 54.06 3ifr n LYS 351 Cb 0.47 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 3ifr n LYS 351 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3ifr n ASP 356 N 1.94 0.00 -1.98 4.39 -0.08 -1.26 -4.60 116.55 114.96 3ifr n ASP 356 Ca 0.14 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 3ifr n ASP 356 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 3ifr n ASP 356 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3ifr n PRO 357 N -0.02 0.68 -2.95 -0.67 -0.04 -1.26 -4.98 135.00 125.77 3ifr n PRO 357 Ca 0.00 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.02 3ifr n PRO 357 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3ifr n PRO 357 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3ifr n PHE 358 N -1.32 4.12 -2.01 0.54 0.99 -1.26 -2.97 117.46 115.54 3ifr n PHE 358 Ca 0.00 -3.25 -0.30 0.00 -0.00 0.00 0.00 57.45 53.90 3ifr n PHE 358 Cb 0.00 -1.82 0.03 0.00 -1.00 0.00 0.00 39.48 36.69 3ifr n PHE 358 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3ifr s ALA 359 N -0.35 3.05 0.15 4.37 0.00 -1.26 -4.89 121.76 122.82 3ifr s ALA 359 Ca 0.36 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.01 3ifr s ALA 359 Cb -0.01 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 3ifr s ALA 359 CO -0.00 -0.91 -0.05 -1.54 0.00 0.00 0.00 175.76 173.26 3ifr s SER 360 N -4.29 1.38 0.09 0.00 1.04 -1.23 -3.68 113.70 107.01 3ifr s SER 360 Ca 0.56 -1.08 -0.36 0.00 0.48 0.00 0.00 55.95 55.54 3ifr s SER 360 Cb -0.11 0.07 -0.17 0.00 0.10 0.00 0.00 66.02 65.91 3ifr s SER 360 CO 0.51 -0.47 1.31 0.61 0.98 0.00 0.00 173.24 176.18 3ifr n GLY 361 N -0.18 0.40 2.97 7.32 0.00 -0.85 -4.44 105.19 110.40 3ifr n GLY 361 Ca -0.09 0.69 -0.21 0.00 0.00 0.00 0.00 46.02 46.41 3ifr n GLY 361 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ifr s THR 362 N 0.40 0.78 -0.06 2.61 2.01 0.15 -4.95 115.64 116.58 3ifr s THR 362 Ca 0.84 -0.31 0.06 0.00 0.31 0.00 0.00 61.69 62.59 3ifr s THR 362 Cb -0.96 -0.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 3ifr s THR 362 CO 0.48 0.26 -0.25 -0.36 -0.69 0.00 0.00 174.62 174.06 3ifr s PHE 363 N 0.54 2.43 0.09 4.92 0.08 -1.26 -0.77 117.98 124.01 3ifr s PHE 363 Ca -0.09 -0.76 -0.06 0.00 0.12 0.00 0.00 56.93 56.14 3ifr s PHE 363 Cb -0.12 -1.60 -0.01 0.00 -0.57 0.00 0.00 43.02 40.71 3ifr s PHE 363 CO 0.01 -0.24 0.14 -0.08 -0.10 0.00 0.00 175.22 174.95 3ifr s THR 364 N -0.09 0.15 0.00 0.64 -1.32 -0.55 -4.85 115.64 109.62 3ifr s THR 364 Ca -0.06 -1.41 0.00 0.00 -1.21 0.00 0.00 61.69 59.01 3ifr s THR 364 Cb -0.14 -1.51 0.00 0.00 -1.51 0.00 0.00 72.50 69.34 3ifr s THR 364 CO 0.04 -0.66 0.00 0.61 -2.21 0.00 0.00 174.62 172.40 3ifr n GLY 365 N -0.05 0.50 3.77 6.08 0.00 -1.26 -1.38 105.19 112.85 3ifr n GLY 365 Ca -0.13 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.94 3ifr n GLY 365 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ifr s LEU 366 N 0.00 4.15 0.13 0.99 1.43 -1.26 -4.32 118.68 119.80 3ifr s LEU 366 Ca 0.00 2.29 -0.07 0.00 -1.03 0.00 0.00 54.13 55.32 3ifr s LEU 366 Cb 0.00 -4.08 -0.01 0.00 0.03 0.00 0.00 46.19 42.12 3ifr s LEU 366 CO 0.00 -0.69 0.20 -0.94 0.23 0.00 0.00 176.35 175.15 3ifr s SER 367 N -1.24 0.14 0.00 2.29 1.04 -1.26 -5.03 113.70 109.64 3ifr s SER 367 Ca 0.58 -0.87 0.07 0.00 0.48 0.00 0.00 55.95 56.22 3ifr s SER 367 Cb -0.29 0.37 0.35 0.00 0.10 0.00 0.00 66.02 66.55 3ifr s SER 367 CO 0.36 -0.80 1.18 0.18 0.98 0.00 0.00 173.24 175.14 3ifr n LEU 368 N -0.13 0.00 0.08 2.42 4.77 -1.26 -1.17 117.00 121.72 3ifr n LEU 368 Ca -0.10 0.40 -0.05 0.00 -0.03 0.00 0.00 56.01 56.23 3ifr n LEU 368 Cb 0.63 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 3ifr n LEU 368 CO 0.25 -0.30 0.25 0.28 -1.33 0.00 0.00 177.39 176.54 3ifr h SER 369 N 0.00 0.00 -4.07 -1.43 0.02 -2.00 -3.46 113.55 102.61 3ifr h SER 369 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 3ifr h SER 369 Cb 0.10 0.00 0.11 0.00 0.14 0.00 0.00 62.40 62.75 3ifr h SER 369 CO 0.00 0.87 0.51 -1.00 -1.14 0.00 0.00 176.83 176.07 3ifr s HIS 370 N -2.94 2.46 0.43 3.45 3.76 -0.32 -5.03 115.29 117.11 3ifr s HIS 370 Ca 0.01 1.48 0.04 0.00 -0.15 0.00 0.00 55.06 56.44 3ifr s HIS 370 Cb 0.10 -3.55 -0.05 0.00 1.11 0.00 0.00 32.58 30.20 3ifr s HIS 370 CO 0.80 -2.26 0.02 0.95 -0.85 0.00 0.00 174.74 173.41 3ifr s THR 371 N -1.50 1.51 0.53 1.30 -4.23 -1.26 -4.99 115.64 107.00 3ifr s THR 371 Ca 0.73 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.44 3ifr s THR 371 Cb -0.33 -2.63 0.30 0.00 1.34 0.00 0.00 72.50 71.17 3ifr s THR 371 CO 0.37 0.00 2.15 0.08 -0.54 0.00 0.00 174.62 176.68 3ifr h ARG 372 N 1.67 0.00 -0.50 3.99 0.11 -1.97 -1.76 114.38 115.91 3ifr h ARG 372 Ca -0.43 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.64 3ifr h ARG 372 Cb 1.27 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.33 3ifr h ARG 372 CO 0.75 0.00 0.28 0.78 0.10 0.00 0.00 179.97 181.88 3ifr h GLY 373 N 0.00 0.75 0.99 0.08 0.00 -1.89 -0.58 103.07 102.43 3ifr h GLY 373 Ca 0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 3ifr h GLY 373 CO -0.00 0.33 0.32 0.45 0.00 0.00 0.00 176.54 177.63 3ifr h HIS 374 N 0.67 0.75 -0.04 5.60 3.86 -1.66 0.16 115.15 124.48 3ifr h HIS 374 Ca 0.18 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3ifr h HIS 374 Cb 0.05 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.27 3ifr h HIS 374 CO -0.02 0.54 0.02 -0.07 0.86 0.00 0.00 177.93 179.26 3ifr h LEU 375 N 0.75 0.06 -0.56 2.43 3.38 -1.12 0.78 115.31 121.03 3ifr h LEU 375 Ca 0.20 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3ifr h LEU 375 Cb 0.02 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3ifr h LEU 375 CO -0.03 0.17 0.28 -0.25 0.09 0.00 0.00 178.44 178.69 3ifr h TRP 376 N -0.05 0.52 -0.25 1.13 2.91 -1.04 -2.18 115.95 116.99 3ifr h TRP 376 Ca 0.02 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.05 3ifr h TRP 376 Cb 0.12 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 28.61 3ifr h TRP 376 CO -0.03 0.24 0.11 -0.09 -1.03 0.00 0.00 178.44 177.63 3ifr h ARG 377 N 0.54 0.37 -0.97 2.65 2.43 -0.69 0.10 114.38 118.81 3ifr h ARG 377 Ca 0.25 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.42 3ifr h ARG 377 Cb 0.17 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.60 3ifr h ARG 377 CO -0.18 0.39 0.62 0.00 -1.51 0.00 0.00 179.97 179.30 3ifr h ALA 378 N 0.96 1.34 -0.32 2.80 0.00 -0.68 0.35 119.26 123.71 3ifr h ALA 378 Ca 0.08 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3ifr h ALA 378 Cb 0.16 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ifr h ALA 378 CO -0.01 0.41 -0.12 1.25 0.00 0.00 0.00 179.25 180.78 3ifr h LEU 379 N 1.13 0.65 -0.60 0.00 5.85 -0.94 0.10 115.31 121.51 3ifr h LEU 379 Ca 0.42 -0.39 0.07 0.00 0.84 0.00 0.00 57.88 58.81 3ifr h LEU 379 Cb 0.16 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 3ifr h LEU 379 CO -0.17 0.90 0.30 -0.07 -0.34 0.00 0.00 178.44 179.05 3ifr h LEU 380 N 0.41 0.40 -0.24 2.25 3.38 0.68 -1.17 115.31 121.02 3ifr h LEU 380 Ca 0.07 0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 3ifr h LEU 380 Cb 0.64 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3ifr h LEU 380 CO 0.04 0.26 -0.47 -0.33 0.09 0.00 0.00 178.44 178.03 3ifr h GLU 381 N 0.55 0.75 -0.54 1.13 5.08 -0.20 -2.41 114.58 118.94 3ifr h GLU 381 Ca 0.28 -0.48 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 3ifr h GLU 381 Cb 0.23 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 3ifr h GLU 381 CO -0.21 1.11 0.29 0.00 -1.00 0.00 0.00 179.01 179.19 3ifr h ALA 382 N 0.64 0.70 -0.47 3.43 0.00 -0.46 0.16 119.26 123.25 3ifr h ALA 382 Ca 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ifr h ALA 382 Cb 1.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3ifr h ALA 382 CO 0.11 -0.04 0.28 0.28 0.00 0.00 0.00 179.25 179.87 3ifr h VAL 383 N 0.56 1.15 -0.41 0.00 2.07 -1.07 -0.50 116.25 118.05 3ifr h VAL 383 Ca 0.23 -0.35 0.08 0.00 0.82 0.00 0.00 66.70 67.48 3ifr h VAL 383 Cb 0.12 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 30.35 3ifr h VAL 383 CO -0.15 0.15 -0.00 0.00 0.02 0.00 0.00 177.57 177.60 3ifr h ALA 384 N 1.13 0.38 -0.86 1.67 0.00 -0.95 -1.72 119.26 118.91 3ifr h ALA 384 Ca 0.17 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.24 3ifr h ALA 384 Cb 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3ifr h ALA 384 CO -0.03 -0.39 0.56 -0.07 0.00 0.00 0.00 179.25 179.32 3ifr h LEU 385 N 0.11 0.90 -0.76 0.00 4.07 0.11 0.12 115.31 119.86 3ifr h LEU 385 Ca 0.20 -0.00 -0.11 0.00 0.08 0.00 0.00 57.88 58.05 3ifr h LEU 385 Cb 0.29 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 3ifr h LEU 385 CO -0.34 0.60 -0.24 0.00 -1.08 0.00 0.00 178.44 177.38 3ifr h ALA 386 N 1.51 0.94 -0.52 1.53 0.00 -0.52 -1.51 119.26 120.70 3ifr h ALA 386 Ca 0.35 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3ifr h ALA 386 Cb 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3ifr h ALA 386 CO -0.11 0.61 0.22 0.74 0.00 0.00 0.00 179.25 180.71 3ifr h PHE 387 N 0.59 0.77 -0.66 0.00 0.04 -0.30 -2.65 116.94 114.74 3ifr h PHE 387 Ca 0.08 -0.05 0.08 0.00 2.80 0.00 0.00 57.97 60.88 3ifr h PHE 387 Cb 0.72 -0.23 -0.06 0.00 2.20 0.00 0.00 35.95 38.58 3ifr h PHE 387 CO 0.03 0.63 0.32 -0.09 -0.60 0.00 0.00 178.31 178.60 3ifr h ARG 388 N 0.69 0.56 0.16 1.51 2.43 -0.46 -2.34 114.38 116.93 3ifr h ARG 388 Ca 0.17 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3ifr h ARG 388 Cb 0.17 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3ifr h ARG 388 CO -0.02 0.37 -0.19 1.25 -1.51 0.00 0.00 179.97 179.87 3ifr h HIS 389 N 0.57 -0.50 -0.80 2.20 2.76 -1.04 0.11 115.15 118.45 3ifr h HIS 389 Ca 0.31 0.01 0.17 0.00 -2.20 0.00 0.00 60.37 58.66 3ifr h HIS 389 Cb 0.30 0.20 -0.15 0.00 1.55 0.00 0.00 27.41 29.31 3ifr h HIS 389 CO -0.11 -0.29 -0.12 0.45 -1.30 0.00 0.00 177.93 176.56 3ifr h HIS 390 N -0.40 -0.29 -0.63 5.26 3.86 -1.35 0.16 115.15 121.77 3ifr h HIS 390 Ca 0.01 0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 3ifr h HIS 390 Cb 0.39 0.25 -0.03 0.00 1.06 0.00 0.00 27.41 29.08 3ifr h HIS 390 CO -0.16 -0.32 0.41 0.28 0.86 0.00 0.00 177.93 178.99 3ifr h VAL 391 N 0.03 1.14 -0.79 2.45 2.07 -0.63 0.37 116.25 120.88 3ifr h VAL 391 Ca 0.41 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 3ifr h VAL 391 Cb 0.67 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3ifr h VAL 391 CO -0.78 0.15 0.46 0.00 0.02 0.00 0.00 177.57 177.42 3ifr h ALA 392 N 1.24 1.01 -0.30 1.67 0.00 0.26 0.55 119.26 123.70 3ifr h ALA 392 Ca 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3ifr h ALA 392 Cb -0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3ifr h ALA 392 CO -0.07 0.50 0.11 0.28 0.00 0.00 0.00 179.25 180.08 3ifr h VAL 393 N 1.09 1.18 -0.31 0.00 2.07 0.36 0.57 116.25 121.21 3ifr h VAL 393 Ca 0.28 -0.57 0.07 0.00 0.82 0.00 0.00 66.70 67.30 3ifr h VAL 393 Cb -0.01 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 3ifr h VAL 393 CO -0.05 0.20 -0.15 -0.07 0.02 0.00 0.00 177.57 177.52 3ifr h LEU 394 N 0.33 -0.51 -0.40 2.57 -0.00 0.53 -1.04 115.31 116.79 3ifr h LEU 394 Ca 0.10 0.12 0.08 0.00 -0.00 0.00 0.00 57.88 58.18 3ifr h LEU 394 Cb 0.20 0.28 -0.09 0.00 -0.00 0.00 0.00 40.66 41.05 3ifr h LEU 394 CO -0.01 -0.18 -0.18 -0.78 -0.00 0.00 0.00 178.44 177.28 3ifr h ASP 395 N -0.10 -0.63 -0.91 -0.43 1.82 -0.71 -1.55 116.42 113.90 3ifr h ASP 395 Ca 0.16 0.15 0.10 0.00 -0.39 0.00 0.00 57.03 57.05 3ifr h ASP 395 Cb 0.35 0.35 -0.08 0.00 0.68 0.00 0.00 39.33 40.63 3ifr h ASP 395 CO -0.38 -0.22 0.55 0.44 -1.61 0.00 0.00 179.24 178.03 3ifr h ASP 396 N -0.11 0.82 1.28 2.28 5.19 0.26 -1.69 116.42 124.46 3ifr h ASP 396 Ca 0.20 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 3ifr h ASP 396 Cb 0.41 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.80 3ifr h ASP 396 CO -0.47 0.46 0.00 -0.38 -3.12 0.00 0.00 179.24 175.73 3ifr n ILE 397 N -4.66 0.64 0.00 0.35 5.41 -0.51 -4.89 119.36 115.70 3ifr n ILE 397 Ca 0.16 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.76 3ifr n ILE 397 Cb 0.29 -0.73 0.00 0.00 -0.71 0.00 0.00 39.64 38.49 3ifr n ILE 397 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ifr n GLY 398 N 0.98 1.12 0.01 7.39 0.00 -0.63 -4.98 105.19 109.08 3ifr n GLY 398 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 3ifr n GLY 398 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ifr n HIS 399 N -1.63 0.00 -3.78 1.61 8.25 -0.66 -4.84 115.22 114.17 3ifr n HIS 399 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 3ifr n HIS 399 Cb 0.00 -0.35 0.02 0.00 1.12 0.00 0.00 29.99 30.78 3ifr n HIS 399 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ifr n ALA 400 N -1.34 -2.32 -1.68 -1.41 0.00 -1.26 -4.26 120.51 108.23 3ifr n ALA 400 Ca 0.11 -0.25 -0.45 0.00 0.00 0.00 0.00 53.44 52.85 3ifr n ALA 400 Cb 0.28 -2.99 -0.03 0.00 0.00 0.00 0.00 19.45 16.71 3ifr n ALA 400 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ifr n PRO 401 N -4.29 2.27 0.00 0.00 -0.04 -1.26 -4.40 135.00 127.28 3ifr n PRO 401 Ca -0.19 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 3ifr n PRO 401 Cb 0.63 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 3ifr n PRO 401 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ifr n GLN 402 N 3.11 0.03 -3.96 0.54 10.64 0.18 -5.01 117.38 122.92 3ifr n GLN 402 Ca 0.15 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.98 3ifr n GLN 402 Cb 0.31 -0.36 -0.14 0.00 -0.86 0.00 0.00 30.24 29.19 3ifr n GLN 402 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 3ifr s ARG 403 N -0.99 3.04 -0.06 2.61 3.52 -0.71 -4.95 118.95 121.40 3ifr s ARG 403 Ca 0.00 -0.84 0.03 0.00 -0.13 0.00 0.00 55.73 54.79 3ifr s ARG 403 Cb 0.00 -2.94 -0.02 0.00 -1.56 0.00 0.00 34.95 30.42 3ifr s ARG 403 CO 0.00 -0.31 -0.14 -0.06 -0.81 0.00 0.00 175.30 173.98 3ifr s PHE 404 N 1.37 2.71 0.02 5.12 0.08 -1.26 0.13 117.98 126.16 3ifr s PHE 404 Ca 0.03 -0.26 0.04 0.00 0.12 0.00 0.00 56.93 56.85 3ifr s PHE 404 Cb -0.15 -1.67 -0.02 0.00 -0.57 0.00 0.00 43.02 40.61 3ifr s PHE 404 CO -0.05 0.10 -0.11 -0.06 -0.10 0.00 0.00 175.22 175.00 3ifr s PHE 405 N -0.51 1.01 0.06 0.36 0.08 0.65 -0.67 117.98 118.96 3ifr s PHE 405 Ca 0.07 -0.30 0.09 0.00 0.12 0.00 0.00 56.93 56.90 3ifr s PHE 405 Cb -0.12 -0.61 -0.03 0.00 -0.57 0.00 0.00 43.02 41.69 3ifr s PHE 405 CO 0.02 0.00 -0.25 0.00 -0.10 0.00 0.00 175.22 174.89 3ifr s ALA 406 N -0.70 2.10 0.31 5.36 0.00 0.28 0.34 121.76 129.46 3ifr s ALA 406 Ca 0.01 -1.23 0.05 0.00 0.00 0.00 0.00 51.96 50.79 3ifr s ALA 406 Cb -0.07 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 3ifr s ALA 406 CO 0.01 0.49 0.29 -1.54 0.00 0.00 0.00 175.76 175.00 3ifr s SER 407 N -1.33 1.34 0.20 0.00 1.04 -0.62 -1.11 113.70 113.23 3ifr s SER 407 Ca 0.10 -1.66 0.00 0.00 0.48 0.00 0.00 55.95 54.87 3ifr s SER 407 Cb -0.10 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.57 3ifr s SER 407 CO 0.02 -1.06 0.00 -0.67 0.98 0.00 0.00 173.24 172.51 3ifr n ASP 408 N -1.34 -2.06 -0.34 7.02 -0.08 -1.26 -1.54 116.55 116.95 3ifr n ASP 408 Ca 0.06 0.20 0.09 0.00 -1.51 0.00 0.00 54.79 53.62 3ifr n ASP 408 Cb 0.63 -0.56 0.25 0.00 2.34 0.00 0.00 41.12 43.78 3ifr n ASP 408 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3ifr h GLY 409 N -0.17 1.60 2.00 0.27 0.00 -1.88 -1.55 103.07 103.33 3ifr h GLY 409 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3ifr h GLY 409 CO 0.00 0.04 -0.05 -1.33 0.00 0.00 0.00 176.54 175.20 3ifr h GLY 410 N 0.82 0.00 2.00 4.60 0.00 -1.65 -1.68 103.07 107.16 3ifr h GLY 410 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 3ifr h GLY 410 CO -0.32 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 175.31 3ifr h THR 411 N 0.00 0.00 0.00 4.70 1.35 -1.50 -0.36 112.91 117.10 3ifr h THR 411 Ca -0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 3ifr h THR 411 Cb 0.27 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3ifr h THR 411 CO 0.01 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.82 3ifr n ARG 412 N -2.64 0.01 -3.42 4.72 1.74 -0.63 -4.54 116.66 111.89 3ifr n ARG 412 Ca -0.01 0.22 -0.43 0.00 -0.77 0.00 0.00 57.85 56.87 3ifr n ARG 412 Cb 0.14 -1.51 -0.10 0.00 -1.02 0.00 0.00 32.46 29.97 3ifr n ARG 412 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3ifr s SER 413 N -3.04 6.13 0.32 0.55 0.15 -0.15 -4.93 113.70 112.73 3ifr s SER 413 Ca 0.08 -0.83 0.11 0.00 0.70 0.00 0.00 55.95 56.00 3ifr s SER 413 Cb 0.11 -2.18 0.52 0.00 -1.71 0.00 0.00 66.02 62.76 3ifr s SER 413 CO 0.30 -0.48 1.71 -0.09 1.20 0.00 0.00 173.24 175.88 3ifr h ARG 414 N 8.65 0.04 -0.33 5.44 9.65 -1.86 -2.54 114.38 133.44 3ifr h ARG 414 Ca -0.27 -0.02 -0.09 0.00 -1.10 0.00 0.00 59.98 58.49 3ifr h ARG 414 Cb 1.12 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.69 3ifr h ARG 414 CO 0.75 0.52 -0.15 0.28 2.80 0.00 0.00 179.97 184.16 3ifr h VAL 415 N 0.04 1.29 0.00 0.20 2.07 -1.93 -1.30 116.25 116.62 3ifr h VAL 415 Ca -0.00 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.26 3ifr h VAL 415 Cb 0.87 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 3ifr h VAL 415 CO 0.07 0.41 0.00 1.87 0.02 0.00 0.00 177.57 179.94 3ifr n TRP 416 N -4.35 0.00 0.00 1.57 -0.00 -0.96 -1.17 117.44 112.53 3ifr n TRP 416 Ca -0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 57.50 57.46 3ifr n TRP 416 Cb 0.39 -0.03 0.00 0.00 -0.00 0.00 0.00 31.31 31.66 3ifr n TRP 416 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3ifr n GLY 418 N 0.42 0.00 0.83 5.87 0.00 -0.49 -4.67 105.19 107.15 3ifr n GLY 418 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ifr n GLY 418 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3ifr n ILE 419 N 0.00 0.02 0.00 -0.61 5.41 -0.32 -1.11 119.36 122.76 3ifr n ILE 419 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3ifr n ILE 419 Cb 0.00 -0.35 0.00 0.00 -0.71 0.00 0.00 39.64 38.58 3ifr n ILE 419 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ifr n ALA 421 N 0.81 0.00 0.29 -1.39 0.00 -1.26 -1.57 120.51 117.39 3ifr n ALA 421 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 3ifr n ALA 421 Cb 0.02 0.00 0.88 0.00 0.00 0.00 0.00 19.45 20.34 3ifr n ALA 421 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3ifr h ASP 422 N 0.00 0.00 0.23 0.00 3.32 -1.45 1.31 116.42 119.83 3ifr h ASP 422 Ca 0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 3ifr h ASP 422 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3ifr h ASP 422 CO 0.00 0.05 -1.86 0.58 -1.72 0.00 0.00 179.24 176.29 3ifr h VAL 423 N 0.00 0.76 0.19 -1.35 2.07 -1.54 -3.36 116.25 113.02 3ifr h VAL 423 Ca -0.00 -2.48 -0.31 0.00 0.82 0.00 0.00 66.70 64.74 3ifr h VAL 423 Cb 0.25 2.56 0.02 0.00 -1.52 0.00 0.00 31.29 32.61 3ifr h VAL 423 CO 0.01 0.82 -1.35 0.25 0.02 0.00 0.00 177.57 177.32 3ifr h LEU 424 N 0.07 0.68 -0.58 2.57 5.85 -1.74 -3.47 115.31 118.69 3ifr h LEU 424 Ca -0.37 -0.71 -0.24 0.00 0.84 0.00 0.00 57.88 57.40 3ifr h LEU 424 Cb 2.04 -0.22 0.07 0.00 0.37 0.00 0.00 40.66 42.92 3ifr h LEU 424 CO 0.11 1.55 -0.40 1.67 -0.34 0.00 0.00 178.44 181.03 3ifr n GLN 425 N -3.65 -4.34 -3.89 1.25 -0.06 0.45 -5.02 117.38 102.12 3ifr n GLN 425 Ca -0.13 0.51 -0.10 0.00 -2.00 0.00 0.00 57.00 55.28 3ifr n GLN 425 Cb 1.05 -4.56 -0.09 0.00 -4.06 0.00 0.00 30.24 22.58 3ifr n GLN 425 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3ifr s ARG 426 N -5.65 0.60 0.42 3.69 0.52 -1.23 -5.00 118.95 112.30 3ifr s ARG 426 Ca 0.31 -0.62 -0.26 0.00 -0.52 0.00 0.00 55.73 54.64 3ifr s ARG 426 Cb -0.14 0.24 -0.09 0.00 0.52 0.00 0.00 34.95 35.49 3ifr s ARG 426 CO 0.38 -0.16 1.42 -2.14 0.02 0.00 0.00 175.30 174.82 3ifr s PRO 427 N -2.30 3.85 -0.19 3.54 0.02 -1.26 -4.50 135.00 134.16 3ifr s PRO 427 Ca -0.07 2.41 -0.00 0.00 0.02 0.00 0.00 61.00 63.35 3ifr s PRO 427 Cb -0.03 -2.76 0.01 0.00 0.02 0.00 0.00 34.50 31.75 3ifr s PRO 427 CO -0.03 -0.68 -0.16 0.08 -0.33 0.00 0.00 177.00 175.88 3ifr s VAL 428 N -1.19 2.40 -0.45 3.83 1.01 -0.67 -4.32 120.40 121.01 3ifr s VAL 428 Ca 0.58 -0.83 -0.23 0.00 0.00 0.00 0.00 61.98 61.50 3ifr s VAL 428 Cb -0.43 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 33.94 3ifr s VAL 428 CO 0.57 0.51 0.78 -1.58 0.00 0.00 0.00 175.10 175.38 3ifr s GLN 429 N 1.29 3.39 0.41 2.72 2.00 0.16 -1.04 119.66 128.60 3ifr s GLN 429 Ca 0.04 -0.13 -0.23 0.00 -2.00 0.00 0.00 55.36 53.04 3ifr s GLN 429 Cb -0.13 -3.95 -0.10 0.00 0.80 0.00 0.00 33.01 29.63 3ifr s GLN 429 CO -0.10 -1.13 1.00 -0.51 -0.50 0.00 0.00 175.29 174.05 3ifr s LEU 430 N 3.28 4.06 0.12 3.68 1.43 -0.52 -0.56 118.68 130.17 3ifr s LEU 430 Ca 0.29 1.87 -0.18 0.00 -1.03 0.00 0.00 54.13 55.09 3ifr s LEU 430 Cb -0.12 -4.33 0.04 0.00 0.03 0.00 0.00 46.19 41.81 3ifr s LEU 430 CO 0.22 -0.43 0.45 -1.48 0.23 0.00 0.00 176.35 175.35 3ifr s LEU 431 N -2.85 0.16 -0.07 1.79 0.05 -0.27 -0.48 118.68 117.00 3ifr s LEU 431 Ca 0.59 -0.18 0.03 0.00 0.05 0.00 0.00 54.13 54.63 3ifr s LEU 431 Cb -0.16 2.01 -0.02 0.00 -2.05 0.00 0.00 46.19 45.97 3ifr s LEU 431 CO 0.21 -0.85 -0.16 0.00 -0.55 0.00 0.00 176.35 175.00 3ifr s ALA 432 N -3.54 2.54 -0.40 1.48 0.00 0.48 -4.18 121.76 118.13 3ifr s ALA 432 Ca 0.01 -0.97 0.07 0.00 0.00 0.00 0.00 51.96 51.07 3ifr s ALA 432 Cb 0.01 -0.97 0.24 0.00 0.00 0.00 0.00 23.12 22.40 3ifr s ALA 432 CO -0.10 0.44 0.50 -1.71 0.00 0.00 0.00 175.76 174.89 3ifr n ASN 433 N 2.77 0.18 -0.03 0.00 4.05 -1.26 -2.14 115.26 118.82 3ifr n ASN 433 Ca -0.17 -2.66 -0.14 0.00 0.45 0.00 0.00 54.58 52.06 3ifr n ASN 433 Cb 0.52 -0.63 -0.10 0.00 1.23 0.00 0.00 39.78 40.80 3ifr n ASN 433 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3ifr h PRO 434 N 4.29 0.10 -0.13 1.20 0.14 -1.96 -2.98 132.00 132.66 3ifr h PRO 434 Ca 0.11 -0.08 0.04 0.00 0.14 0.00 0.00 66.00 66.21 3ifr h PRO 434 Cb 0.88 0.01 -0.01 0.00 0.14 0.00 0.00 31.00 32.03 3ifr h PRO 434 CO 0.46 0.72 0.15 -0.07 0.14 0.00 0.00 178.00 179.40 3ifr h LEU 435 N -0.50 0.00 0.00 1.56 4.07 -1.97 -3.47 115.31 115.00 3ifr h LEU 435 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3ifr h LEU 435 Cb 0.74 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.48 3ifr h LEU 435 CO 0.02 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.99 3ifr n GLY 436 N -1.37 0.56 0.23 0.83 0.00 -1.13 -4.17 105.19 100.15 3ifr n GLY 436 Ca 0.00 -1.10 0.10 0.00 0.00 0.00 0.00 46.02 45.02 3ifr n GLY 436 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ifr h SER 437 N 4.64 0.00 -0.42 1.61 0.02 -1.88 -3.04 113.55 114.47 3ifr h SER 437 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ifr h SER 437 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3ifr h SER 437 CO 0.00 0.22 0.27 0.00 -1.14 0.00 0.00 176.83 176.18 3ifr h ALA 438 N 1.78 1.65 -0.43 3.77 0.00 -1.89 -0.86 119.26 123.27 3ifr h ALA 438 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3ifr h ALA 438 Cb 0.64 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3ifr h ALA 438 CO 0.03 0.31 0.14 0.28 0.00 0.00 0.00 179.25 180.02 3ifr h VAL 439 N 0.60 1.21 -0.66 0.00 2.07 -1.80 0.94 116.25 118.61 3ifr h VAL 439 Ca 0.16 -0.69 0.06 0.00 0.82 0.00 0.00 66.70 67.04 3ifr h VAL 439 Cb -0.03 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3ifr h VAL 439 CO -0.03 0.25 0.44 1.23 0.02 0.00 0.00 177.57 179.48 3ifr h GLY 440 N 0.55 0.85 0.69 2.17 0.00 -1.30 -1.87 103.07 104.16 3ifr h GLY 440 Ca 0.14 -0.28 -0.11 0.00 0.00 0.00 0.00 47.33 47.09 3ifr h GLY 440 CO -0.01 0.21 -0.39 0.00 0.00 0.00 0.00 176.54 176.35 3ifr h ALA 441 N 1.64 0.11 -1.00 3.60 0.00 -0.44 -2.95 119.26 120.21 3ifr h ALA 441 Ca 0.28 -0.48 0.17 0.00 0.00 0.00 0.00 54.91 54.88 3ifr h ALA 441 Cb 0.24 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 3ifr h ALA 441 CO -0.09 0.23 0.62 0.00 0.00 0.00 0.00 179.25 180.01 3ifr h ALA 442 N 0.38 1.64 -0.22 0.00 0.00 -0.69 -1.82 119.26 118.55 3ifr h ALA 442 Ca -0.04 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3ifr h ALA 442 Cb 1.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3ifr h ALA 442 CO 0.08 0.03 -0.01 2.35 0.00 0.00 0.00 179.25 181.69 3ifr h TRP 443 N 0.83 0.33 -0.61 0.00 2.91 -1.19 0.84 115.95 119.05 3ifr h TRP 443 Ca 0.55 -0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.49 3ifr h TRP 443 Cb 0.77 -0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 29.29 3ifr h TRP 443 CO -0.00 0.36 0.15 0.28 -1.03 0.00 0.00 178.44 178.20 3ifr h VAL 444 N 0.32 1.24 0.00 2.65 2.07 -1.17 -1.69 116.25 119.68 3ifr h VAL 444 Ca 0.07 -0.87 -0.13 0.00 0.82 0.00 0.00 66.70 66.59 3ifr h VAL 444 Cb 0.24 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3ifr h VAL 444 CO 0.01 0.33 -0.66 0.00 0.02 0.00 0.00 177.57 177.27 3ifr h ALA 445 N 1.26 0.62 -0.17 1.67 0.00 -1.25 -2.78 119.26 118.60 3ifr h ALA 445 Ca 0.20 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 3ifr h ALA 445 Cb 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ifr h ALA 445 CO -0.00 0.76 0.05 0.00 0.00 0.00 0.00 179.25 180.05 3ifr h ALA 446 N 1.40 0.22 0.00 0.00 0.00 -0.28 -2.18 119.26 118.42 3ifr h ALA 446 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ifr h ALA 446 Cb 1.47 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3ifr h ALA 446 CO 0.08 -0.15 0.00 0.82 0.00 0.00 0.00 179.25 180.00 3ifr h ILE 447 N 0.08 0.00 0.00 0.00 2.04 -1.35 -2.84 117.51 115.44 3ifr h ILE 447 Ca 0.05 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.19 3ifr h ILE 447 Cb 0.25 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 3ifr h ILE 447 CO -0.00 0.00 -0.61 1.23 0.00 0.00 0.00 178.15 178.77 3ifr h GLY 448 N 2.58 0.00 -2.74 5.37 0.00 -1.19 -3.32 103.07 103.77 3ifr h GLY 448 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ifr h GLY 448 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3ifr n GLY 449 N 1.23 2.42 0.00 4.60 0.00 -0.85 -4.97 105.19 107.62 3ifr n GLY 449 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3ifr n GLY 449 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ifr n GLY 450 N 0.62 -0.66 0.13 -0.02 0.00 -1.24 -5.00 105.19 99.02 3ifr n GLY 450 Ca 0.20 -1.16 0.06 0.00 0.00 0.00 0.00 46.02 45.12 3ifr n GLY 450 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ifr n ASP 451 N 0.00 1.81 0.00 1.61 5.68 -1.26 -4.62 116.55 119.77 3ifr n ASP 451 Ca 0.00 -2.65 0.08 0.00 -0.50 0.00 0.00 54.79 51.72 3ifr n ASP 451 Cb 0.00 -0.31 0.46 0.00 -1.14 0.00 0.00 41.12 40.13 3ifr n ASP 451 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3ifr n ASP 452 N -0.99 0.00 -3.98 -1.12 5.75 -1.26 -4.79 116.55 110.16 3ifr n ASP 452 Ca 0.10 -0.23 -0.14 0.00 -0.01 0.00 0.00 54.79 54.52 3ifr n ASP 452 Cb 0.58 -0.15 -0.13 0.00 -1.03 0.00 0.00 41.12 40.39 3ifr n ASP 452 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3ifr s LEU 453 N -2.30 2.12 0.39 -2.12 1.43 -1.26 -5.15 118.68 111.79 3ifr s LEU 453 Ca 0.20 -0.28 0.08 0.00 -1.03 0.00 0.00 54.13 53.10 3ifr s LEU 453 Cb 0.11 -0.16 -0.00 0.00 0.03 0.00 0.00 46.19 46.17 3ifr s LEU 453 CO 0.22 -0.07 0.49 -0.83 0.23 0.00 0.00 176.35 176.39 3ifr s GLY 454 N -0.74 1.86 0.09 -3.19 0.00 -1.26 -4.90 107.32 99.18 3ifr s GLY 454 Ca -0.04 -1.64 -0.27 0.00 0.00 0.00 0.00 44.72 42.77 3ifr s GLY 454 CO -0.00 -1.49 1.68 1.49 0.00 0.00 0.00 173.10 174.78 3ifr h TRP 455 N 0.81 -0.43 0.00 1.90 4.06 -1.98 -0.10 115.95 120.21 3ifr h TRP 455 Ca -0.42 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.52 3ifr h TRP 455 Cb 1.27 0.15 0.00 0.00 -1.00 0.00 0.00 29.16 29.58 3ifr h TRP 455 CO 0.43 -0.26 0.00 -3.47 -3.56 0.00 0.00 178.44 171.58 3ifr n ASP 456 N -5.29 0.00 -0.01 -3.49 2.03 -1.26 -1.92 116.55 106.61 3ifr n ASP 456 Ca -0.09 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.36 3ifr n ASP 456 Cb 0.20 0.00 0.62 0.00 -0.72 0.00 0.00 41.12 41.22 3ifr n ASP 456 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3ifr n ASP 457 N 0.00 0.08 -0.25 1.67 8.00 -0.05 -3.79 116.55 122.20 3ifr n ASP 457 Ca 0.00 0.20 0.31 0.00 0.71 0.00 0.00 54.79 56.01 3ifr n ASP 457 Cb 0.00 -0.35 0.71 0.00 -0.02 0.00 0.00 41.12 41.46 3ifr n ASP 457 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 3ifr h VAL 458 N 0.04 0.49 0.00 2.53 3.04 -1.56 -2.61 116.25 118.18 3ifr h VAL 458 Ca 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 3ifr h VAL 458 Cb 0.44 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.16 3ifr h VAL 458 CO 0.00 0.01 0.00 1.07 -1.01 0.00 0.00 177.57 177.64 3ifr n THR 459 N -4.26 0.45 0.16 3.17 5.66 -1.25 -1.26 114.28 116.96 3ifr n THR 459 Ca 0.22 0.11 0.05 0.00 -3.05 0.00 0.00 64.05 61.39 3ifr n THR 459 Cb 1.07 -0.74 0.27 0.00 -1.55 0.00 0.00 70.33 69.37 3ifr n THR 459 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ifr n ALA 460 N -1.43 1.18 0.71 1.79 0.00 -0.98 -1.83 120.51 119.94 3ifr n ALA 460 Ca 0.07 0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.65 3ifr n ALA 460 Cb 0.23 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3ifr n ALA 460 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ifr n LEU 461 N -1.79 1.66 -4.56 0.00 4.32 -0.38 -4.78 117.00 111.45 3ifr n LEU 461 Ca 0.00 -0.78 -0.26 0.00 -0.02 0.00 0.00 56.01 54.96 3ifr n LEU 461 Cb 0.06 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.76 3ifr n LEU 461 CO 0.07 0.32 -0.37 0.68 -1.22 0.00 0.00 177.39 176.87 3ifr s VAL 462 N -1.85 2.31 -1.21 4.08 -7.23 -0.76 -5.04 120.40 110.69 3ifr s VAL 462 Ca 0.14 -2.15 -0.10 0.00 -1.81 0.00 0.00 61.98 58.05 3ifr s VAL 462 Cb 0.13 -2.69 0.20 0.00 0.56 0.00 0.00 36.38 34.58 3ifr s VAL 462 CO 0.39 -0.19 1.58 -1.14 -0.31 0.00 0.00 175.10 175.43 3ifr n ARG 463 N -0.83 3.62 -2.04 4.82 0.63 -0.91 -4.97 116.66 116.97 3ifr n ARG 463 Ca -0.05 -3.87 -0.41 0.00 -0.92 0.00 0.00 57.85 52.60 3ifr n ARG 463 Cb 0.63 -2.88 -0.02 0.00 0.45 0.00 0.00 32.46 30.64 3ifr n ARG 463 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3ifr s THR 464 N 0.31 2.68 0.00 5.15 -1.32 -1.26 -0.39 115.64 120.81 3ifr s THR 464 Ca 0.39 0.60 0.00 0.00 -1.21 0.00 0.00 61.69 61.47 3ifr s THR 464 Cb 0.02 -3.39 0.00 0.00 -1.51 0.00 0.00 72.50 67.63 3ifr s THR 464 CO 0.01 0.11 0.00 0.61 -2.21 0.00 0.00 174.62 173.14 3ifr n GLY 465 N 1.75 4.16 3.73 6.08 0.00 0.36 -4.91 105.19 116.37 3ifr n GLY 465 Ca 0.05 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 3ifr n GLY 465 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ifr s GLU 466 N 4.46 4.51 -0.28 1.61 2.12 -1.26 -4.70 118.70 125.16 3ifr s GLU 466 Ca 0.00 1.79 -0.15 0.00 0.36 0.00 0.00 54.97 56.97 3ifr s GLU 466 Cb 0.00 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 31.08 3ifr s GLU 466 CO 0.00 -0.07 0.38 0.21 -0.54 0.00 0.00 175.26 175.24 3ifr s LYS 467 N 0.03 3.94 -0.20 4.30 2.20 -1.26 -1.44 119.74 127.31 3ifr s LYS 467 Ca 0.53 -0.02 -0.09 0.00 -0.36 0.00 0.00 55.97 56.03 3ifr s LYS 467 Cb -0.31 -3.68 -0.05 0.00 -1.51 0.00 0.00 37.83 32.28 3ifr s LYS 467 CO 0.34 -0.33 0.12 0.42 -0.36 0.00 0.00 175.35 175.54 3ifr s ILE 468 N 2.09 5.23 0.00 5.43 1.01 -0.21 -4.91 121.20 129.85 3ifr s ILE 468 Ca 0.15 0.13 -0.10 0.00 0.00 0.00 0.00 60.65 60.83 3ifr s ILE 468 Cb -0.16 -3.39 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 3ifr s ILE 468 CO 0.10 0.43 0.32 0.42 0.00 0.00 0.00 174.94 176.21 3ifr s THR 469 N 0.51 5.21 0.79 2.92 -4.23 -1.26 -1.67 115.64 117.91 3ifr s THR 469 Ca 0.07 0.43 -0.10 0.00 -1.18 0.00 0.00 61.69 60.91 3ifr s THR 469 Cb -0.12 -3.60 0.07 0.00 1.34 0.00 0.00 72.50 70.19 3ifr s THR 469 CO -0.00 0.45 1.10 -2.84 -0.54 0.00 0.00 174.62 172.78 3ifr s PRO 470 N -1.48 2.12 -0.35 3.99 0.02 -1.26 -4.88 135.00 133.16 3ifr s PRO 470 Ca 0.26 1.19 -0.15 0.00 0.02 0.00 0.00 61.00 62.32 3ifr s PRO 470 Cb -0.14 -1.88 -0.01 0.00 0.02 0.00 0.00 34.50 32.49 3ifr s PRO 470 CO 0.14 -1.75 0.33 0.34 -0.33 0.00 0.00 177.00 175.73 3ifr s ASP 471 N -3.33 6.14 0.61 2.53 -1.08 -1.26 -4.95 116.67 115.33 3ifr s ASP 471 Ca 0.62 -0.37 0.40 0.00 -0.52 0.00 0.00 52.55 52.68 3ifr s ASP 471 Cb -0.18 -2.18 1.95 0.00 -1.46 0.00 0.00 42.92 41.06 3ifr s ASP 471 CO 0.56 -0.34 2.20 -0.65 0.52 0.00 0.00 175.17 177.46 3ifr h PRO 472 N 8.50 0.00 0.00 4.34 0.11 -1.96 -0.35 132.00 142.65 3ifr h PRO 472 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3ifr h PRO 472 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ifr h PRO 472 CO 0.69 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.48 3ifr h ALA 473 N 2.00 1.00 -0.00 -0.75 0.00 -1.99 -2.50 119.26 117.03 3ifr h ALA 473 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ifr h ALA 473 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ifr h ALA 473 CO 0.00 0.00 -0.36 1.63 0.00 0.00 0.00 179.25 180.52 3ifr n LYS 474 N -2.33 0.12 0.13 0.00 4.01 -0.14 -4.24 118.16 115.71 3ifr n LYS 474 Ca 0.02 -0.06 0.04 0.00 -0.51 0.00 0.00 58.31 57.81 3ifr n LYS 474 Cb 0.27 -1.50 0.46 0.00 -0.51 0.00 0.00 35.03 33.74 3ifr n LYS 474 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3ifr h ALA 475 N 3.10 1.66 0.09 7.82 0.00 -1.54 -2.33 119.26 128.05 3ifr h ALA 475 Ca 0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 54.91 54.49 3ifr h ALA 475 Cb 0.49 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.23 3ifr h ALA 475 CO 0.00 0.26 -1.20 1.49 0.00 0.00 0.00 179.25 179.80 3ifr h GLU 476 N 0.22 0.64 -0.19 0.00 4.81 -1.79 -0.95 114.58 117.32 3ifr h GLU 476 Ca 0.05 -0.81 -0.05 0.00 -0.13 0.00 0.00 59.36 58.43 3ifr h GLU 476 Cb 0.22 0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 3ifr h GLU 476 CO 0.01 1.36 -0.06 -0.24 -0.73 0.00 0.00 179.01 179.35 3ifr h VAL 477 N 0.30 1.30 -0.01 0.32 3.04 -1.81 -2.93 116.25 116.46 3ifr h VAL 477 Ca -0.17 -1.07 -0.09 0.00 -1.01 0.00 0.00 66.70 64.36 3ifr h VAL 477 Cb 1.87 1.61 -0.01 0.00 -2.01 0.00 0.00 31.29 32.74 3ifr h VAL 477 CO 0.23 0.32 -0.43 1.88 -1.01 0.00 0.00 177.57 178.56 3ifr h TYR 478 N 0.08 0.03 -0.19 3.17 0.05 -1.46 0.28 116.97 118.94 3ifr h TYR 478 Ca 0.05 -0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.84 3ifr h TYR 478 Cb 0.52 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.23 3ifr h TYR 478 CO 0.06 0.46 0.06 -0.44 -1.05 0.00 0.00 178.16 177.24 3ifr h ASP 479 N 0.02 0.06 -0.57 3.88 3.32 -1.22 0.33 116.42 122.23 3ifr h ASP 479 Ca -0.00 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 3ifr h ASP 479 Cb 0.78 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 3ifr h ASP 479 CO 0.06 0.06 0.06 0.03 -1.72 0.00 0.00 179.24 177.73 3ifr h ARG 480 N 0.15 1.01 -0.44 3.56 3.08 -1.28 0.15 114.38 120.61 3ifr h ARG 480 Ca 0.08 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 3ifr h ARG 480 Cb 0.06 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3ifr h ARG 480 CO -0.09 0.95 0.25 1.25 -1.07 0.00 0.00 179.97 181.27 3ifr h LEU 481 N 0.94 0.54 -0.60 3.04 5.85 -0.63 0.26 115.31 124.71 3ifr h LEU 481 Ca 0.18 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.89 3ifr h LEU 481 Cb 0.46 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 3ifr h LEU 481 CO 0.02 0.46 0.29 0.22 -0.34 0.00 0.00 178.44 179.09 3ifr h TYR 482 N 0.58 0.53 -0.51 1.25 3.20 -0.02 0.36 116.97 122.37 3ifr h TYR 482 Ca 0.16 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 3ifr h TYR 482 Cb 0.03 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 3ifr h TYR 482 CO -0.03 0.22 0.26 -0.09 -1.64 0.00 0.00 178.16 176.88 3ifr h ARG 483 N 0.54 0.72 -0.11 1.82 2.43 -0.46 -1.51 114.38 117.81 3ifr h ARG 483 Ca 0.28 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3ifr h ARG 483 Cb 0.24 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3ifr h ARG 483 CO -0.21 0.59 0.07 -0.44 -1.51 0.00 0.00 179.97 178.46 3ifr h ASP 484 N 0.67 0.11 -0.35 -3.80 5.19 0.12 -0.99 116.42 117.37 3ifr h ASP 484 Ca 0.18 -0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.65 3ifr h ASP 484 Cb 0.09 -0.03 -0.06 0.00 0.18 0.00 0.00 39.33 39.52 3ifr h ASP 484 CO -0.02 0.08 -0.03 0.15 -3.12 0.00 0.00 179.24 176.30 3ifr h PHE 485 N 0.14 -0.08 -0.58 4.55 3.57 -0.18 0.49 116.94 124.85 3ifr h PHE 485 Ca 0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3ifr h PHE 485 Cb -0.01 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 3ifr h PHE 485 CO -0.07 -0.10 0.38 0.77 -2.23 0.00 0.00 178.31 177.05 3ifr h SER 486 N 0.06 0.67 0.94 0.41 0.02 -1.12 -2.18 113.55 112.34 3ifr h SER 486 Ca 0.17 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.99 3ifr h SER 486 Cb 0.25 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 3ifr h SER 486 CO -0.32 0.49 -0.51 0.00 -1.14 0.00 0.00 176.83 175.35 3ifr h ALA 487 N 1.20 0.86 0.23 3.77 0.00 -0.56 -2.06 119.26 122.71 3ifr h ALA 487 Ca 0.21 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3ifr h ALA 487 Cb -0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3ifr h ALA 487 CO -0.04 0.64 -0.11 1.25 0.00 0.00 0.00 179.25 180.99 3ifr h LEU 488 N 0.00 -0.27 -0.37 0.00 5.85 0.36 -1.12 115.31 119.77 3ifr h LEU 488 Ca -0.01 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3ifr h LEU 488 Cb 1.12 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 3ifr h LEU 488 CO 0.07 -0.10 0.19 0.22 -0.34 0.00 0.00 178.44 178.48 3ifr h TYR 489 N -0.42 0.51 -0.59 1.25 3.20 -1.36 0.28 116.97 119.84 3ifr h TYR 489 Ca -0.03 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 3ifr h TYR 489 Cb 0.32 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 3ifr h TYR 489 CO -0.03 0.41 0.32 0.00 -1.64 0.00 0.00 178.16 177.22 3ifr h ALA 490 N 1.05 1.47 -0.24 1.82 0.00 -1.40 -1.15 119.26 120.81 3ifr h ALA 490 Ca 0.13 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 3ifr h ALA 490 Cb 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3ifr h ALA 490 CO -0.02 0.44 -0.60 1.15 0.00 0.00 0.00 179.25 180.22 3ifr h THR 491 N 0.81 1.28 -0.00 0.00 2.02 -0.50 -3.16 112.91 113.36 3ifr h THR 491 Ca 0.21 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.60 3ifr h THR 491 Cb 0.01 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3ifr h THR 491 CO -0.04 0.58 -0.04 0.18 0.37 0.00 0.00 175.52 176.57 3ifr n LEU 492 N -4.01 0.49 0.37 2.58 4.77 0.02 -4.40 117.00 116.83 3ifr n LEU 492 Ca -0.05 -0.08 -0.19 0.00 -0.03 0.00 0.00 56.01 55.65 3ifr n LEU 492 Cb 0.66 -0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.56 3ifr n LEU 492 CO 0.51 0.09 0.54 -0.74 -1.33 0.00 0.00 177.39 176.46 3ifr h HIS 493 N 0.71 -1.31 -0.61 -1.77 2.76 -1.17 -1.39 115.15 112.37 3ifr h HIS 493 Ca 0.00 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.26 3ifr h HIS 493 Cb 0.26 0.48 -0.07 0.00 1.55 0.00 0.00 27.41 29.64 3ifr h HIS 493 CO 0.00 -0.70 0.24 -1.35 -1.30 0.00 0.00 177.93 174.82 3ifr h PRO 494 N -1.11 0.41 -0.57 5.26 0.11 -1.81 0.21 132.00 134.50 3ifr h PRO 494 Ca -0.09 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.07 3ifr h PRO 494 Cb 0.92 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.90 3ifr h PRO 494 CO 0.04 0.27 0.38 0.35 -0.21 0.00 0.00 178.00 178.83 3ifr h PHE 495 N 0.43 0.51 0.00 0.65 3.57 -1.80 0.10 116.94 120.40 3ifr h PHE 495 Ca 0.30 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 3ifr h PHE 495 Cb 0.36 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3ifr h PHE 495 CO -0.16 0.27 -0.27 0.74 -2.23 0.00 0.00 178.31 176.66 3ifr h PHE 496 N 0.51 0.00 -0.23 0.41 0.04 0.18 -3.20 116.94 114.65 3ifr h PHE 496 Ca 0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.02 3ifr h PHE 496 Cb 0.33 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.48 3ifr h PHE 496 CO -0.00 0.27 0.00 0.72 -0.60 0.00 0.00 178.31 178.70 3ifr n HIS 497 N -3.25 0.56 0.70 -0.55 8.25 -0.64 -4.90 115.22 115.39 3ifr n HIS 497 Ca 0.02 -0.71 0.06 0.00 -0.26 0.00 0.00 57.72 56.82 3ifr n HIS 497 Cb 0.56 -0.16 0.33 0.00 1.12 0.00 0.00 29.99 31.84 3ifr n HIS 497 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87