#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fye s GLU 31 N 0.00 4.60 -0.51 3.23 2.12 -1.26 -4.78 118.70 122.09 3fye s GLU 31 Ca 0.00 1.60 -0.28 0.00 0.36 0.00 0.00 54.97 56.65 3fye s GLU 31 Cb 0.00 -3.35 0.02 0.00 0.26 0.00 0.00 34.13 31.07 3fye s GLU 31 CO 0.00 0.05 1.27 0.42 -0.54 0.00 0.00 175.26 176.46 3fye s ILE 32 N 0.22 4.00 -0.14 -3.70 1.01 -1.26 -0.90 121.20 120.42 3fye s ILE 32 Ca 0.50 0.95 -0.08 0.00 0.00 0.00 0.00 60.65 62.03 3fye s ILE 32 Cb -0.26 -4.51 -0.06 0.00 0.01 0.00 0.00 42.46 37.63 3fye s ILE 32 CO 0.31 -1.08 -0.20 -0.38 0.00 0.00 0.00 174.94 173.60 3fye n ILE 33 N 6.87 0.89 -2.70 2.92 5.41 -0.40 -4.86 119.36 127.48 3fye n ILE 33 Ca 0.12 -0.17 -0.43 0.00 1.00 0.00 0.00 62.75 63.27 3fye n ILE 33 Cb 0.49 -1.74 -0.01 0.00 -0.71 0.00 0.00 39.64 37.67 3fye n ILE 33 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3fye s GLY 34 N -5.20 1.81 0.02 7.39 0.00 -0.67 -4.49 107.32 106.17 3fye s GLY 34 Ca -0.21 -2.93 -0.21 0.00 0.00 0.00 0.00 44.72 41.38 3fye s GLY 34 CO 0.27 2.49 0.47 1.09 0.00 0.00 0.00 173.10 177.42 3fye s ARG 35 N 3.52 0.95 0.51 2.90 3.03 -1.26 -0.50 118.95 128.10 3fye s ARG 35 Ca 0.48 -0.21 -0.21 0.00 2.03 0.00 0.00 55.73 57.82 3fye s ARG 35 Cb 0.01 0.43 -0.06 0.00 -1.03 0.00 0.00 34.95 34.30 3fye s ARG 35 CO 0.02 -0.32 1.18 -1.25 -1.13 0.00 0.00 175.30 173.79 3fye s PRO 36 N -2.13 3.46 0.08 3.89 0.04 -1.26 -4.76 135.00 134.31 3fye s PRO 36 Ca -0.07 1.77 0.07 0.00 0.04 0.00 0.00 61.00 62.80 3fye s PRO 36 Cb -0.01 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 3fye s PRO 36 CO 0.01 -0.80 -0.11 -0.65 0.04 0.00 0.00 177.00 175.48 3fye s GLN 37 N -3.00 2.17 0.03 4.56 -0.21 -1.26 -5.08 119.66 116.87 3fye s GLN 37 Ca 0.69 -0.97 -0.35 0.00 0.02 0.00 0.00 55.36 54.75 3fye s GLN 37 Cb -0.28 -2.31 -0.14 0.00 1.00 0.00 0.00 33.01 31.28 3fye s GLN 37 CO 0.33 0.53 1.61 -2.30 -2.12 0.00 0.00 175.29 173.34 3fye n PRO 38 N 1.02 1.78 -1.05 2.91 -0.02 -1.26 -1.43 135.00 136.95 3fye n PRO 38 Ca -0.14 0.65 -0.02 0.00 -2.02 0.00 0.00 63.50 61.97 3fye n PRO 38 Cb 0.52 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 3fye n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fye n GLY 39 N 3.52 0.36 3.71 -1.23 0.00 -1.26 -4.98 105.19 105.32 3fye n GLY 39 Ca 0.20 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3fye n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fye n GLY 40 N -0.87 0.44 0.00 -0.02 0.00 -0.52 -4.95 105.19 99.28 3fye n GLY 40 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3fye n GLY 40 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fye n THR 41 N -1.84 0.00 -3.26 2.61 -2.24 -1.26 -5.03 114.28 103.26 3fye n THR 41 Ca 0.15 -0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 3fye n THR 41 Cb 0.48 0.78 0.03 0.00 -2.10 0.00 0.00 70.33 69.51 3fye n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fye n GLY 42 N 0.78 2.25 3.71 3.38 0.00 -1.26 -5.11 105.19 108.94 3fye n GLY 42 Ca 0.00 -2.21 -0.31 0.00 0.00 0.00 0.00 46.02 43.50 3fye n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fye s PHE 43 N -1.39 2.07 0.71 1.61 0.08 -1.26 -5.02 117.98 114.78 3fye s PHE 43 Ca 0.32 1.65 -0.14 0.00 0.12 0.00 0.00 56.93 58.87 3fye s PHE 43 Cb -0.03 -3.20 0.03 0.00 -0.57 0.00 0.00 43.02 39.26 3fye s PHE 43 CO 0.20 -2.37 1.15 -0.65 -0.10 0.00 0.00 175.22 173.46 3fye s GLN 44 N -4.77 2.39 0.52 0.44 -0.21 -1.26 -4.96 119.66 111.81 3fye s GLN 44 Ca 0.64 1.55 -0.22 0.00 0.02 0.00 0.00 55.36 57.35 3fye s GLN 44 Cb -0.20 -1.89 -0.07 0.00 1.00 0.00 0.00 33.01 31.85 3fye s GLN 44 CO 0.57 -1.60 1.07 -2.30 -2.12 0.00 0.00 175.29 170.92 3fye n PRO 45 N -2.70 1.29 -2.68 2.91 -0.02 -1.26 -4.84 135.00 127.69 3fye n PRO 45 Ca 0.12 0.48 -0.38 0.00 -2.02 0.00 0.00 63.50 61.69 3fye n PRO 45 Cb 0.51 -2.22 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 3fye n PRO 45 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3fye s SER 46 N -0.95 7.35 0.00 2.55 0.15 -1.26 -4.37 113.70 117.17 3fye s SER 46 Ca 0.69 1.98 0.00 0.00 0.70 0.00 0.00 55.95 59.32 3fye s SER 46 Cb -0.47 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.24 3fye s SER 46 CO 0.52 -0.06 0.79 0.00 1.20 0.00 0.00 173.24 175.69 3fye n ALA 47 N 0.89 1.61 -2.18 5.45 0.00 0.06 -5.01 120.51 121.33 3fye n ALA 47 Ca 0.01 -0.78 -0.07 0.00 0.00 0.00 0.00 53.44 52.59 3fye n ALA 47 Cb 0.48 -0.30 -0.09 0.00 0.00 0.00 0.00 19.45 19.54 3fye n ALA 47 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3fye s SER 48 N -0.60 0.42 0.41 0.00 1.04 -1.23 -1.09 113.70 112.65 3fye s SER 48 Ca 0.00 -0.94 0.17 0.00 0.48 0.00 0.00 55.95 55.66 3fye s SER 48 Cb 0.00 0.23 0.88 0.00 0.10 0.00 0.00 66.02 67.23 3fye s SER 48 CO 0.00 -0.63 1.87 1.55 0.98 0.00 0.00 173.24 177.01 3fye h PRO 49 N 3.07 0.00 -0.38 4.02 0.13 -1.92 -2.47 132.00 134.46 3fye h PRO 49 Ca -0.34 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.69 3fye h PRO 49 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3fye h PRO 49 CO 0.64 0.31 -0.15 0.28 -0.23 0.00 0.00 178.00 178.86 3fye h VAL 50 N 0.00 1.28 -0.69 1.56 2.07 -1.91 -2.15 116.25 116.42 3fye h VAL 50 Ca -0.00 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 3fye h VAL 50 Cb 0.62 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3fye h VAL 50 CO 0.04 0.42 0.38 0.00 0.02 0.00 0.00 177.57 178.43 3fye h ALA 51 N 0.81 0.88 -0.69 1.67 0.00 -1.62 -1.42 119.26 118.88 3fye h ALA 51 Ca 0.09 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3fye h ALA 51 Cb 0.68 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3fye h ALA 51 CO 0.05 0.39 0.40 1.15 0.00 0.00 0.00 179.25 181.24 3fye h THR 52 N 0.94 1.02 -0.76 0.00 2.02 -1.38 -0.59 112.91 114.16 3fye h THR 52 Ca 0.24 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 3fye h THR 52 Cb 0.03 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.60 3fye h THR 52 CO -0.04 0.14 0.36 1.56 0.37 0.00 0.00 175.52 177.91 3fye h GLN 53 N 0.76 1.10 -0.44 6.66 4.20 -0.89 -1.43 115.11 125.07 3fye h GLN 53 Ca 0.30 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 3fye h GLN 53 Cb 0.13 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 3fye h GLN 53 CO -0.15 0.86 0.27 0.82 -0.67 0.00 0.00 178.83 179.96 3fye h ILE 54 N 1.07 1.13 -0.80 2.54 2.04 -0.75 -0.77 117.51 121.98 3fye h ILE 54 Ca 0.26 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3fye h ILE 54 Cb 0.12 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 3fye h ILE 54 CO -0.03 0.13 0.46 0.45 0.00 0.00 0.00 178.15 179.16 3fye h HIS 55 N 0.59 1.07 -0.12 1.37 3.86 -0.84 0.09 115.15 121.18 3fye h HIS 55 Ca 0.16 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 3fye h HIS 55 Cb -0.02 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.10 3fye h HIS 55 CO -0.04 0.73 -0.04 2.35 0.86 0.00 0.00 177.93 181.80 3fye h TRP 56 N 1.10 0.26 -0.12 2.45 7.01 -1.12 -0.86 115.95 124.67 3fye h TRP 56 Ca 0.28 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.22 3fye h TRP 56 Cb -0.00 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 3fye h TRP 56 CO -0.00 0.55 0.07 1.25 -2.79 0.00 0.00 178.44 177.51 3fye h LEU 57 N -0.10 0.15 -0.61 0.65 5.85 -1.02 -0.78 115.31 119.45 3fye h LEU 57 Ca 0.03 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.69 3fye h LEU 57 Cb 0.47 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3fye h LEU 57 CO 0.01 0.18 0.38 -0.78 -0.34 0.00 0.00 178.44 177.90 3fye h ASP 58 N 0.10 0.63 -0.62 1.25 3.58 -1.03 -0.40 116.42 119.93 3fye h ASP 58 Ca 0.04 -0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.52 3fye h ASP 58 Cb 0.07 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 3fye h ASP 58 CO -0.01 0.45 0.41 1.23 -2.88 0.00 0.00 179.24 178.44 3fye h GLY 59 N 0.76 0.84 0.61 -0.78 0.00 -0.88 0.40 103.07 104.01 3fye h GLY 59 Ca 0.24 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 3fye h GLY 59 CO -0.09 0.26 -0.20 -2.75 0.00 0.00 0.00 176.54 173.76 3fye h PHE 60 N 0.74 0.33 -0.60 5.60 3.04 -0.67 -2.82 116.94 122.56 3fye h PHE 60 Ca 0.25 -0.13 -0.08 0.00 3.98 0.00 0.00 57.97 61.98 3fye h PHE 60 Cb 0.06 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 3fye h PHE 60 CO -0.00 0.82 0.05 0.82 -2.02 0.00 0.00 178.31 177.97 3fye h ILE 61 N -0.25 1.26 -0.65 1.41 2.04 -0.82 -3.05 117.51 117.45 3fye h ILE 61 Ca -0.01 -1.07 0.08 0.00 1.00 0.00 0.00 64.86 64.87 3fye h ILE 61 Cb 0.82 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 3fye h ILE 61 CO 0.04 0.39 0.32 0.25 0.00 0.00 0.00 178.15 179.15 3fye h LEU 62 N 0.94 0.42 -0.13 1.44 5.85 -0.20 0.10 115.31 123.74 3fye h LEU 62 Ca 0.18 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.98 3fye h LEU 62 Cb 0.48 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3fye h LEU 62 CO 0.02 0.26 -0.03 0.58 -0.34 0.00 0.00 178.44 178.93 3fye h VAL 63 N 0.57 0.87 0.29 1.05 2.07 -1.41 0.54 116.25 120.24 3fye h VAL 63 Ca 0.31 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.82 3fye h VAL 63 Cb 0.29 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3fye h VAL 63 CO -0.24 0.00 -0.23 0.40 0.02 0.00 0.00 177.57 177.52 3fye h ILE 64 N 0.00 0.51 -0.08 4.57 2.04 -1.33 -1.57 117.51 121.66 3fye h ILE 64 Ca 0.06 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.83 3fye h ILE 64 Cb 0.09 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3fye h ILE 64 CO -0.13 0.00 -0.36 0.16 0.00 0.00 0.00 178.15 177.82 3fye h ILE 65 N -0.53 1.28 -0.57 -0.67 3.07 -0.90 0.10 117.51 119.29 3fye h ILE 65 Ca -0.02 -1.35 -0.10 0.00 1.55 0.00 0.00 64.86 64.94 3fye h ILE 65 Cb 0.47 1.63 -0.02 0.00 -0.27 0.00 0.00 36.82 38.62 3fye h ILE 65 CO -0.01 0.40 -0.03 0.00 -1.05 0.00 0.00 178.15 177.46 3fye h ALA 66 N 1.49 0.87 0.09 0.16 0.00 -0.83 -1.32 119.26 119.72 3fye h ALA 66 Ca 0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3fye h ALA 66 Cb 0.71 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3fye h ALA 66 CO 0.05 0.66 -0.04 0.00 0.00 0.00 0.00 179.25 179.92 3fye h ALA 67 N 1.03 -0.12 -0.72 0.00 0.00 -0.46 -0.31 119.26 118.68 3fye h ALA 67 Ca 0.16 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.09 3fye h ALA 67 Cb 0.58 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 3fye h ALA 67 CO 0.03 -0.51 0.34 0.82 0.00 0.00 0.00 179.25 179.93 3fye h ILE 68 N -0.25 0.79 -0.17 0.00 2.04 -0.78 0.62 117.51 119.77 3fye h ILE 68 Ca -0.01 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.57 3fye h ILE 68 Cb 0.21 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3fye h ILE 68 CO 0.02 0.10 -0.23 0.74 0.00 0.00 0.00 178.15 178.78 3fye h THR 69 N 0.55 1.35 -0.57 -0.27 2.02 -1.12 0.10 112.91 114.97 3fye h THR 69 Ca 0.37 -1.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 3fye h THR 69 Cb 0.44 1.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 3fye h THR 69 CO -0.31 0.43 0.31 0.40 0.37 0.00 0.00 175.52 176.73 3fye h ILE 70 N 0.10 1.19 0.42 3.11 2.04 -0.88 -0.32 117.51 123.16 3fye h ILE 70 Ca 0.02 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 3fye h ILE 70 Cb 0.80 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3fye h ILE 70 CO 0.05 0.20 -0.36 0.15 0.00 0.00 0.00 178.15 178.19 3fye h PHE 71 N 0.77 -0.98 -0.58 1.37 -0.00 -0.76 0.16 116.94 116.91 3fye h PHE 71 Ca 0.20 0.00 0.04 0.00 -0.00 0.00 0.00 57.97 58.22 3fye h PHE 71 Cb 0.05 0.37 -0.05 0.00 -0.00 0.00 0.00 35.95 36.32 3fye h PHE 71 CO -0.01 -0.52 0.32 0.28 -0.00 0.00 0.00 178.31 178.38 3fye h VAL 72 N -0.79 0.99 -0.24 1.41 2.07 -0.92 -0.47 116.25 118.30 3fye h VAL 72 Ca -0.04 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 3fye h VAL 72 Cb 0.69 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3fye h VAL 72 CO -0.03 0.11 0.05 0.74 0.02 0.00 0.00 177.57 178.46 3fye h THR 73 N 0.62 1.22 -0.64 2.57 2.02 -0.81 -1.81 112.91 116.08 3fye h THR 73 Ca 0.25 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 3fye h THR 73 Cb 0.12 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 3fye h THR 73 CO -0.15 0.23 0.24 -0.07 0.37 0.00 0.00 175.52 176.15 3fye h LEU 74 N 0.22 0.87 -0.19 2.58 3.38 -0.53 -1.56 115.31 120.08 3fye h LEU 74 Ca 0.08 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3fye h LEU 74 Cb 0.31 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3fye h LEU 74 CO 0.00 0.79 0.08 -0.07 0.09 0.00 0.00 178.44 179.34 3fye h LEU 75 N 0.93 0.12 -0.31 1.67 3.38 -0.85 0.11 115.31 120.36 3fye h LEU 75 Ca 0.22 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3fye h LEU 75 Cb 0.20 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3fye h LEU 75 CO -0.02 0.10 0.20 0.40 0.09 0.00 0.00 178.44 179.21 3fye h ILE 76 N 0.19 1.07 -0.53 1.22 2.04 -1.05 0.21 117.51 120.66 3fye h ILE 76 Ca 0.08 -0.14 -0.11 0.00 1.00 0.00 0.00 64.86 65.69 3fye h ILE 76 Cb 0.03 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 3fye h ILE 76 CO -0.06 0.07 -0.10 -0.07 0.00 0.00 0.00 178.15 177.99 3fye h LEU 77 N 0.41 1.01 0.23 1.44 3.38 -1.16 -1.62 115.31 119.00 3fye h LEU 77 Ca 0.11 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3fye h LEU 77 Cb -0.04 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.44 3fye h LEU 77 CO -0.03 1.12 -0.11 0.22 0.09 0.00 0.00 178.44 179.73 3fye h TYR 78 N 0.87 -0.29 -1.00 1.13 5.03 -0.59 -2.18 116.97 119.94 3fye h TYR 78 Ca 0.14 -0.01 0.13 0.00 2.58 0.00 0.00 58.73 61.57 3fye h TYR 78 Cb 0.67 0.10 -0.09 0.00 1.55 0.00 0.00 36.73 38.96 3fye h TYR 78 CO 0.05 -0.12 0.63 0.00 -1.32 0.00 0.00 178.16 177.40 3fye h ALA 79 N 0.36 1.56 -0.22 1.82 0.00 -0.86 0.26 119.26 122.17 3fye h ALA 79 Ca -0.03 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3fye h ALA 79 Cb 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3fye h ALA 79 CO 0.05 0.18 -0.40 0.28 0.00 0.00 0.00 179.25 179.36 3fye h VAL 80 N 0.96 1.30 0.03 0.00 2.07 -1.25 -0.69 116.25 118.67 3fye h VAL 80 Ca 0.50 -1.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 3fye h VAL 80 Cb 0.55 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3fye h VAL 80 CO -0.27 0.49 -0.01 -0.25 0.02 0.00 0.00 177.57 177.54 3fye h TRP 81 N 0.43 -0.03 -0.41 1.57 7.01 -0.62 -2.76 115.95 121.13 3fye h TRP 81 Ca 0.04 -0.00 -0.13 0.00 2.11 0.00 0.00 58.89 60.91 3fye h TRP 81 Cb 0.89 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.94 3fye h TRP 81 CO 0.03 0.67 -0.25 -0.09 -2.79 0.00 0.00 178.44 176.02 3fye h ARG 82 N -0.83 0.85 -0.31 2.65 9.65 -0.58 -3.23 114.38 122.58 3fye h ARG 82 Ca -0.00 -0.36 0.00 0.00 -1.10 0.00 0.00 59.98 58.51 3fye h ARG 82 Cb 0.72 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.27 3fye h ARG 82 CO 0.01 1.00 0.00 1.19 2.80 0.00 0.00 179.97 184.97 3fye n PHE 83 N -4.10 0.99 -1.60 2.20 3.72 -0.27 -4.37 117.46 114.03 3fye n PHE 83 Ca -0.00 -0.80 -0.41 0.00 -0.05 0.00 0.00 57.45 56.19 3fye n PHE 83 Cb 0.46 -0.28 0.01 0.00 -0.94 0.00 0.00 39.48 38.73 3fye n PHE 83 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 3fye n HIS 84 N -0.19 1.08 0.15 1.38 -0.00 -1.04 -4.58 115.22 112.02 3fye n HIS 84 Ca 0.21 0.56 0.18 0.00 -0.00 0.00 0.00 57.72 58.67 3fye n HIS 84 Cb 0.85 -2.21 0.78 0.00 -0.00 0.00 0.00 29.99 29.40 3fye n HIS 84 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 3fye h GLU 85 N 1.48 0.00 0.00 1.57 4.11 -1.90 0.12 114.58 119.96 3fye h GLU 85 Ca -0.44 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 58.90 3fye h GLU 85 Cb 1.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 3fye h GLU 85 CO 0.56 0.00 -0.43 0.87 0.07 0.00 0.00 179.01 180.08 3fye h LYS 86 N 0.00 0.00 0.01 1.06 1.79 -1.97 -3.35 116.57 114.11 3fye h LYS 86 Ca 0.14 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.25 3fye h LYS 86 Cb 0.73 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.32 3fye h LYS 86 CO -0.00 0.43 -2.23 -2.13 -1.08 0.00 0.00 179.45 174.44 3fye n ARG 87 N -3.26 0.68 -3.81 3.15 0.63 0.09 -4.78 116.66 109.35 3fye n ARG 87 Ca 0.02 0.11 -0.30 0.00 -0.92 0.00 0.00 57.85 56.76 3fye n ARG 87 Cb 0.67 -1.60 -0.14 0.00 0.45 0.00 0.00 32.46 31.84 3fye n ARG 87 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 3fye s ASN 88 N -5.95 4.15 0.12 6.15 2.47 0.19 -4.98 114.94 117.08 3fye s ASN 88 Ca -0.15 -2.08 0.06 0.00 0.42 0.00 0.00 52.86 51.12 3fye s ASN 88 Cb 0.07 -1.14 -0.22 0.00 -1.45 0.00 0.00 41.25 38.51 3fye s ASN 88 CO 0.78 -0.36 1.26 0.11 -3.72 0.00 0.00 177.10 175.17 3fye h LYS 89 N 7.56 0.02 -4.97 0.43 1.57 -1.84 -3.40 116.57 115.95 3fye h LYS 89 Ca -0.08 -0.04 -0.66 0.00 -1.87 0.00 0.00 60.65 58.00 3fye h LYS 89 Cb 0.99 0.02 -0.30 0.00 0.08 0.00 0.00 32.23 33.02 3fye h LYS 89 CO 0.50 1.02 -0.74 0.08 -0.57 0.00 0.00 179.45 179.74 3fye s VAL 90 N -2.70 3.12 0.41 0.50 1.01 -1.26 -5.07 120.40 116.40 3fye s VAL 90 Ca 0.01 -0.70 -0.24 0.00 0.00 0.00 0.00 61.98 61.05 3fye s VAL 90 Cb 0.10 -2.46 -0.08 0.00 0.00 0.00 0.00 36.38 33.93 3fye s VAL 90 CO 0.83 0.36 1.10 -2.16 0.00 0.00 0.00 175.10 175.23 3fye s PRO 91 N 1.42 4.06 1.15 2.72 0.04 -1.26 -5.05 135.00 138.07 3fye s PRO 91 Ca 0.04 1.65 -0.17 0.00 0.04 0.00 0.00 61.00 62.56 3fye s PRO 91 Cb -0.15 -2.55 0.26 0.00 0.04 0.00 0.00 34.50 32.10 3fye s PRO 91 CO -0.04 -0.26 1.09 0.00 0.04 0.00 0.00 177.00 177.82 3fye s ALA 92 N -1.57 0.53 0.00 8.56 0.00 -1.26 -5.02 121.76 123.00 3fye s ALA 92 Ca 0.59 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.86 3fye s ALA 92 Cb -0.26 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 19.87 3fye s ALA 92 CO 0.32 -3.43 0.33 0.54 0.00 0.00 0.00 175.76 173.52 3fye n ARG 93 N -4.64 0.07 -1.88 0.00 1.74 -1.26 -5.09 116.66 105.60 3fye n ARG 93 Ca 0.09 -0.39 -0.37 0.00 -0.77 0.00 0.00 57.85 56.41 3fye n ARG 93 Cb 0.58 -0.69 0.04 0.00 -1.02 0.00 0.00 32.46 31.38 3fye n ARG 93 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3fye s PHE 94 N -0.11 2.29 0.00 -1.55 -0.12 -1.26 -4.95 117.98 112.28 3fye s PHE 94 Ca 0.00 1.47 0.00 0.00 -0.05 0.00 0.00 56.93 58.35 3fye s PHE 94 Cb 0.00 -3.64 0.00 0.00 -0.63 0.00 0.00 43.02 38.75 3fye s PHE 94 CO 0.00 -2.60 0.51 0.25 -0.05 0.00 0.00 175.22 173.33 3fye n THR 95 N -1.46 0.18 -3.95 -4.49 -2.24 -1.26 -5.09 114.28 95.97 3fye n THR 95 Ca 0.13 -0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 61.61 3fye n THR 95 Cb 0.48 1.07 -0.09 0.00 -2.10 0.00 0.00 70.33 69.69 3fye n THR 95 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3fye s HIS 96 N -0.18 0.25 -0.40 4.78 3.76 -1.26 -5.11 115.29 117.13 3fye s HIS 96 Ca 0.00 -0.63 -0.00 0.00 -0.15 0.00 0.00 55.06 54.28 3fye s HIS 96 Cb 0.00 -0.17 0.19 0.00 1.11 0.00 0.00 32.58 33.71 3fye s HIS 96 CO 0.00 -0.40 0.87 1.21 -0.85 0.00 0.00 174.74 175.57 3fye s ASN 97 N -2.43 -0.92 0.15 1.40 3.84 -1.26 -5.10 114.94 110.62 3fye s ASN 97 Ca -0.01 -0.78 -0.23 0.00 0.21 0.00 0.00 52.86 52.05 3fye s ASN 97 Cb 0.02 1.19 0.02 0.00 -0.55 0.00 0.00 41.25 41.92 3fye s ASN 97 CO -0.07 -0.07 1.62 0.28 -2.79 0.00 0.00 177.10 176.08 3fye h SER 98 N 5.40 -0.83 -0.77 -4.21 0.02 -1.99 -0.23 113.55 110.94 3fye h SER 98 Ca 0.02 0.14 0.17 0.00 -0.84 0.00 0.00 61.79 61.28 3fye h SER 98 Cb 1.17 0.38 -0.11 0.00 0.14 0.00 0.00 62.40 63.98 3fye h SER 98 CO -0.02 -0.30 0.20 -0.65 -1.14 0.00 0.00 176.83 174.93 3fye h PRO 99 N -0.28 0.27 -0.38 3.45 0.11 -1.99 0.42 132.00 133.60 3fye h PRO 99 Ca 0.13 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.16 3fye h PRO 99 Cb 0.48 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 3fye h PRO 99 CO -0.38 0.18 -0.01 1.25 -0.21 0.00 0.00 178.00 178.83 3fye h LEU 100 N 0.28 0.66 -1.31 2.35 5.85 -1.65 -0.78 115.31 120.72 3fye h LEU 100 Ca 0.44 -0.31 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 3fye h LEU 100 Cb 0.77 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3fye h LEU 100 CO -0.52 0.82 -0.33 -0.33 -0.34 0.00 0.00 178.44 177.73 3fye h GLU 101 N 0.49 0.00 0.22 1.25 5.08 -0.60 0.15 114.58 121.19 3fye h GLU 101 Ca 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3fye h GLU 101 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3fye h GLU 101 CO 0.02 0.33 -0.11 0.82 -1.00 0.00 0.00 179.01 179.08 3fye h ILE 102 N 0.00 0.74 -0.39 3.13 1.08 -0.74 -3.04 117.51 118.29 3fye h ILE 102 Ca -0.00 -0.92 0.05 0.00 -0.39 0.00 0.00 64.86 63.59 3fye h ILE 102 Cb 0.65 1.19 -0.04 0.00 -3.07 0.00 0.00 36.82 35.55 3fye h ILE 102 CO 0.04 0.17 0.13 0.00 -0.69 0.00 0.00 178.15 177.80 3fye h ALA 103 N -0.33 0.45 0.00 1.87 0.00 -0.99 -1.56 119.26 118.71 3fye h ALA 103 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3fye h ALA 103 Cb 0.51 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3fye h ALA 103 CO 0.05 -0.27 0.00 -2.67 0.00 0.00 0.00 179.25 176.36 3fye n TRP 104 N -5.03 0.00 -0.12 0.00 2.14 0.52 -1.65 117.44 113.31 3fye n TRP 104 Ca 0.02 0.00 -0.25 0.00 2.07 0.00 0.00 57.50 59.34 3fye n TRP 104 Cb 0.15 -0.17 -0.11 0.00 -0.81 0.00 0.00 31.31 30.36 3fye n TRP 104 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 3fye n THR 105 N -1.17 1.54 -0.12 -1.67 -1.04 -0.94 -4.43 114.28 106.46 3fye n THR 105 Ca 0.15 -0.41 -0.10 0.00 -2.04 0.00 0.00 64.05 61.65 3fye n THR 105 Cb 0.16 -1.77 -0.02 0.00 -1.82 0.00 0.00 70.33 66.88 3fye n THR 105 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3fye h ILE 106 N -0.62 1.25 0.04 12.58 2.04 -1.19 -3.06 117.51 128.55 3fye h ILE 106 Ca -0.59 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 64.36 3fye h ILE 106 Cb 1.69 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 3fye h ILE 106 CO -0.25 0.31 -0.11 0.58 0.00 0.00 0.00 178.15 178.67 3fye h VAL 107 N 0.41 0.73 -0.70 1.67 2.07 -1.56 0.58 116.25 119.44 3fye h VAL 107 Ca 0.10 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.74 3fye h VAL 107 Cb 0.42 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 3fye h VAL 107 CO 0.01 0.00 0.29 -0.65 0.02 0.00 0.00 177.57 177.25 3fye h PRO 108 N -0.21 0.46 -0.73 1.57 0.11 -1.77 -0.40 132.00 131.03 3fye h PRO 108 Ca 0.03 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.17 3fye h PRO 108 Cb 0.24 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 31.19 3fye h PRO 108 CO -0.09 0.31 0.42 0.82 -0.21 0.00 0.00 178.00 179.25 3fye h ILE 109 N 0.48 0.98 -0.29 4.15 2.04 -1.24 -2.12 117.51 121.51 3fye h ILE 109 Ca 0.37 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 3fye h ILE 109 Cb 0.49 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3fye h ILE 109 CO -0.34 0.14 0.04 0.58 0.00 0.00 0.00 178.15 178.57 3fye h VAL 110 N 0.76 1.23 -0.54 1.67 2.07 -0.38 -2.18 116.25 118.89 3fye h VAL 110 Ca 0.33 -0.81 0.06 0.00 0.82 0.00 0.00 66.70 67.10 3fye h VAL 110 Cb 0.20 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 3fye h VAL 110 CO -0.19 0.26 0.25 0.40 0.02 0.00 0.00 177.57 178.31 3fye h ILE 111 N 0.30 0.90 -0.25 4.57 2.04 -0.83 -1.20 117.51 123.04 3fye h ILE 111 Ca 0.09 -0.16 -0.16 0.00 1.00 0.00 0.00 64.86 65.62 3fye h ILE 111 Cb 0.35 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3fye h ILE 111 CO 0.01 0.09 -0.50 -0.07 0.00 0.00 0.00 178.15 177.67 3fye h LEU 112 N 0.47 0.76 -0.46 1.44 3.38 -1.33 -2.37 115.31 117.20 3fye h LEU 112 Ca 0.25 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3fye h LEU 112 Cb 0.21 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3fye h LEU 112 CO -0.21 1.13 0.23 0.58 0.09 0.00 0.00 178.44 180.27 3fye h VAL 113 N 0.54 1.18 -0.96 1.22 2.07 -1.10 0.97 116.25 120.18 3fye h VAL 113 Ca 0.02 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.08 3fye h VAL 113 Cb 1.06 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 3fye h VAL 113 CO 0.10 0.19 0.63 0.00 0.02 0.00 0.00 177.57 178.52 3fye h ALA 114 N 1.08 1.25 0.14 1.67 0.00 -1.12 0.54 119.26 122.81 3fye h ALA 114 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3fye h ALA 114 Cb 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3fye h ALA 114 CO -0.02 0.54 -0.07 0.82 0.00 0.00 0.00 179.25 180.52 3fye h ILE 115 N 1.24 1.02 -0.97 0.00 2.04 -1.17 -2.98 117.51 116.69 3fye h ILE 115 Ca 0.37 -0.80 0.17 0.00 1.00 0.00 0.00 64.86 65.61 3fye h ILE 115 Cb -0.05 1.50 -0.09 0.00 -0.74 0.00 0.00 36.82 37.44 3fye h ILE 115 CO -0.11 0.18 0.61 1.23 0.00 0.00 0.00 178.15 180.07 3fye h GLY 116 N -0.58 1.52 1.04 5.37 0.00 -0.57 0.35 103.07 110.20 3fye h GLY 116 Ca -0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 3fye h GLY 116 CO 0.03 0.02 0.41 0.00 0.00 0.00 0.00 176.54 177.00 3fye h ALA 117 N 1.61 1.10 0.04 3.60 0.00 -0.88 -0.49 119.26 124.25 3fye h ALA 117 Ca 0.53 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 55.04 3fye h ALA 117 Cb 0.84 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3fye h ALA 117 CO -0.30 0.67 -1.09 0.74 0.00 0.00 0.00 179.25 179.27 3fye h PHE 118 N 1.22 0.17 0.16 0.00 -1.00 -1.22 -3.40 116.94 112.86 3fye h PHE 118 Ca 0.29 -0.12 -0.25 0.00 2.81 0.00 0.00 57.97 60.70 3fye h PHE 118 Cb 0.12 -0.01 0.03 0.00 3.61 0.00 0.00 35.95 39.70 3fye h PHE 118 CO 0.02 1.10 -1.07 1.03 -1.61 0.00 0.00 178.31 177.77 3fye h SER 119 N 0.03 0.66 -0.51 2.17 0.87 0.02 -3.32 113.55 113.47 3fye h SER 119 Ca -0.06 -0.90 0.02 0.00 -1.23 0.00 0.00 61.79 59.62 3fye h SER 119 Cb 1.84 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 63.56 3fye h SER 119 CO 0.15 1.51 0.31 -0.07 -0.53 0.00 0.00 176.83 178.20 3fye h LEU 120 N -0.08 0.50 -1.17 2.23 3.38 -1.31 -1.18 115.31 117.68 3fye h LEU 120 Ca -0.18 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.83 3fye h LEU 120 Cb 1.82 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 42.41 3fye h LEU 120 CO 0.20 0.36 0.57 -0.65 0.09 0.00 0.00 178.44 179.01 3fye h PRO 121 N 0.62 1.03 -0.51 1.13 0.11 -1.78 0.82 132.00 133.42 3fye h PRO 121 Ca 0.20 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 3fye h PRO 121 Cb 0.00 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 30.86 3fye h PRO 121 CO -0.08 0.68 0.22 0.28 -0.21 0.00 0.00 178.00 178.89 3fye h VAL 122 N 1.06 1.20 -0.85 3.15 2.07 -1.57 0.46 116.25 121.78 3fye h VAL 122 Ca 0.35 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 67.27 3fye h VAL 122 Cb 0.05 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3fye h VAL 122 CO -0.11 0.23 0.56 0.25 0.02 0.00 0.00 177.57 178.52 3fye h LEU 123 N 0.67 0.96 -0.35 2.57 5.85 -0.27 -1.04 115.31 123.70 3fye h LEU 123 Ca 0.17 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 3fye h LEU 123 Cb 0.16 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3fye h LEU 123 CO -0.02 0.69 0.05 -0.26 -0.34 0.00 0.00 178.44 178.57 3fye h PHE 124 N 1.13 0.62 -0.91 1.25 -1.00 -0.50 -1.74 116.94 115.79 3fye h PHE 124 Ca 0.31 -0.09 0.09 0.00 2.81 0.00 0.00 57.97 61.10 3fye h PHE 124 Cb -0.12 -0.17 -0.07 0.00 3.61 0.00 0.00 35.95 39.21 3fye h PHE 124 CO -0.01 0.64 0.59 -0.97 -1.61 0.00 0.00 178.31 176.95 3fye h ASN 125 N 0.41 0.84 -0.19 2.17 -1.24 -0.64 -2.15 115.58 114.79 3fye h ASN 125 Ca 0.11 0.02 -0.07 0.00 0.71 0.00 0.00 56.30 57.07 3fye h ASN 125 Cb 0.36 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.25 3fye h ASN 125 CO 0.01 0.50 -0.15 1.56 -1.29 0.00 0.00 177.43 178.06 3fye h GLN 126 N 0.93 0.43 0.00 6.67 4.20 -0.77 -3.37 115.11 123.21 3fye h GLN 126 Ca 0.42 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3fye h GLN 126 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3fye h GLN 126 CO -0.18 0.77 -1.14 1.04 -0.67 0.00 0.00 178.83 178.65 3fye n GLN 127 N -4.51 0.18 -2.77 1.46 1.13 -0.69 -4.67 117.38 107.50 3fye n GLN 127 Ca -0.05 -0.04 -0.43 0.00 -1.94 0.00 0.00 57.00 54.54 3fye n GLN 127 Cb 0.36 -1.53 -0.04 0.00 0.11 0.00 0.00 30.24 29.15 3fye n GLN 127 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3fye s GLU 128 N -3.14 3.55 -0.32 -1.09 2.02 -0.82 -5.00 118.70 113.91 3fye s GLU 128 Ca 0.04 0.21 -0.29 0.00 0.02 0.00 0.00 54.97 54.96 3fye s GLU 128 Cb 0.15 -3.94 0.01 0.00 0.10 0.00 0.00 34.13 30.46 3fye s GLU 128 CO 0.85 -1.29 1.18 0.42 0.02 0.00 0.00 175.26 176.44 3fye s ILE 129 N 3.96 4.31 0.94 -1.63 -1.09 -1.26 -4.93 121.20 121.50 3fye s ILE 129 Ca 0.39 1.49 -0.15 0.00 -2.23 0.00 0.00 60.65 60.15 3fye s ILE 129 Cb -0.10 -4.31 0.18 0.00 -1.58 0.00 0.00 42.46 36.66 3fye s ILE 129 CO 0.27 -0.52 1.30 -2.16 -1.23 0.00 0.00 174.94 172.60 3fye s PRO 130 N 3.95 0.85 0.22 2.79 0.04 -1.26 -5.00 135.00 136.58 3fye s PRO 130 Ca 0.51 -0.34 -0.31 0.00 0.04 0.00 0.00 61.00 60.90 3fye s PRO 130 Cb -0.14 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 3fye s PRO 130 CO 0.20 -2.29 1.50 -1.21 0.04 0.00 0.00 177.00 175.25 3fye s GLU 131 N -5.84 4.23 0.10 4.56 2.02 -1.26 -4.97 118.70 117.54 3fye s GLU 131 Ca 0.72 2.34 -0.28 0.00 0.02 0.00 0.00 54.97 57.78 3fye s GLU 131 Cb -0.05 -3.12 -0.06 0.00 0.10 0.00 0.00 34.13 31.00 3fye s GLU 131 CO 0.52 -0.51 0.88 0.00 0.02 0.00 0.00 175.26 176.17 3fye s ALA 132 N 0.47 3.30 -0.03 5.21 0.00 -1.26 -4.86 121.76 124.60 3fye s ALA 132 Ca 0.64 0.46 -0.15 0.00 0.00 0.00 0.00 51.96 52.92 3fye s ALA 132 Cb -0.43 -3.16 -0.32 0.00 0.00 0.00 0.00 23.12 19.21 3fye s ALA 132 CO 0.39 0.03 0.80 -0.44 0.00 0.00 0.00 175.76 176.54 3fye h ASP 133 N 5.48 0.66 -3.75 0.00 3.32 -1.21 -3.47 116.42 117.44 3fye h ASP 133 Ca -0.44 -0.92 -0.51 0.00 0.02 0.00 0.00 57.03 55.18 3fye h ASP 133 Cb 1.21 -0.22 -0.32 0.00 0.22 0.00 0.00 39.33 40.23 3fye h ASP 133 CO 0.71 1.70 -0.82 -0.69 -1.72 0.00 0.00 179.24 178.42 3fye s VAL 134 N -2.56 1.18 -0.15 -1.35 1.01 -0.76 -5.00 120.40 112.76 3fye s VAL 134 Ca -0.14 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.30 3fye s VAL 134 Cb 0.04 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.40 3fye s VAL 134 CO 0.88 0.35 -0.21 -0.89 0.00 0.00 0.00 175.10 175.23 3fye s THR 135 N 0.24 2.13 -0.06 3.92 2.01 -1.26 -1.11 115.64 121.51 3fye s THR 135 Ca -0.06 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.05 3fye s THR 135 Cb -0.12 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.52 3fye s THR 135 CO 0.02 0.54 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.57 3fye s VAL 136 N 0.94 1.92 -0.26 3.82 1.01 -0.69 -3.98 120.40 123.16 3fye s VAL 136 Ca -0.04 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 60.87 3fye s VAL 136 Cb -0.15 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3fye s VAL 136 CO -0.04 0.53 0.12 -0.75 0.00 0.00 0.00 175.10 174.96 3fye s LYS 137 N -0.02 3.79 -0.16 2.72 2.20 0.12 -0.59 119.74 127.81 3fye s LYS 137 Ca -0.06 -0.41 -0.04 0.00 -0.36 0.00 0.00 55.97 55.10 3fye s LYS 137 Cb -0.14 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 3fye s LYS 137 CO 0.04 -0.15 -0.04 0.08 -0.36 0.00 0.00 175.35 174.93 3fye s VAL 138 N 1.57 3.86 -0.14 4.02 1.01 0.12 -0.49 120.40 130.34 3fye s VAL 138 Ca 0.06 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.70 3fye s VAL 138 Cb -0.15 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.54 3fye s VAL 138 CO 0.06 0.48 -0.20 -0.89 0.00 0.00 0.00 175.10 174.55 3fye s THR 139 N 0.48 2.22 0.05 3.92 2.01 0.55 -1.53 115.64 123.34 3fye s THR 139 Ca -0.03 -0.92 -0.28 0.00 0.31 0.00 0.00 61.69 60.77 3fye s THR 139 Cb -0.14 -1.90 -0.05 0.00 0.01 0.00 0.00 72.50 70.42 3fye s THR 139 CO 0.03 0.54 0.88 -0.83 -0.69 0.00 0.00 174.62 174.54 3fye s GLY 140 N 0.81 2.88 0.17 4.40 0.00 -0.36 -0.31 107.32 114.92 3fye s GLY 140 Ca -0.07 0.43 0.06 0.00 0.00 0.00 0.00 44.72 45.14 3fye s GLY 140 CO -0.01 1.36 -0.12 -0.19 0.00 0.00 0.00 173.10 174.13 3fye s TYR 141 N 0.27 1.48 -0.60 1.90 1.51 0.18 -1.13 117.35 120.96 3fye s TYR 141 Ca 0.44 -0.66 -0.27 0.00 -1.01 0.00 0.00 57.07 55.57 3fye s TYR 141 Cb -0.21 -0.72 0.03 0.00 -0.11 0.00 0.00 41.96 40.95 3fye s TYR 141 CO 0.26 0.21 1.16 -0.65 -1.11 0.00 0.00 175.55 175.42 3fye s GLN 142 N -3.62 3.43 -0.42 -0.62 -0.21 -1.26 -0.87 119.66 116.09 3fye s GLN 142 Ca 0.19 0.07 0.02 0.00 0.02 0.00 0.00 55.36 55.66 3fye s GLN 142 Cb 0.01 -4.05 0.14 0.00 1.00 0.00 0.00 33.01 30.11 3fye s GLN 142 CO 0.04 -1.71 0.24 -1.58 -2.12 0.00 0.00 175.29 170.15 3fye s TRP 143 N 4.87 1.61 0.00 0.91 0.51 -1.26 -5.14 118.94 120.44 3fye s TRP 143 Ca 0.39 -2.21 -0.30 0.00 -2.12 0.00 0.00 56.10 51.87 3fye s TRP 143 Cb -0.09 -1.58 0.11 0.00 -0.81 0.00 0.00 33.47 31.11 3fye s TRP 143 CO 0.23 -0.79 1.20 1.52 -0.51 0.00 0.00 176.95 178.60 3fye s TYR 144 N 0.51 -0.08 -0.07 -1.98 1.13 -0.05 -4.72 117.35 112.08 3fye s TYR 144 Ca 0.19 -0.06 0.02 0.00 -1.41 0.00 0.00 57.07 55.80 3fye s TYR 144 Cb -0.22 0.56 -0.02 0.00 -1.10 0.00 0.00 41.96 41.18 3fye s TYR 144 CO -0.01 -0.39 -0.12 -1.58 -2.51 0.00 0.00 175.55 170.95 3fye s TRP 145 N -2.61 2.79 -0.15 -3.49 0.52 -0.99 -0.65 118.94 114.36 3fye s TRP 145 Ca 0.13 -0.21 -0.07 0.00 0.02 0.00 0.00 56.10 55.97 3fye s TRP 145 Cb 0.03 -1.70 -0.04 0.00 -1.15 0.00 0.00 33.47 30.61 3fye s TRP 145 CO -0.03 0.14 0.08 0.20 0.02 0.00 0.00 176.95 177.36 3fye s GLY 146 N -0.50 1.98 -0.06 0.98 0.00 0.58 -0.19 107.32 110.11 3fye s GLY 146 Ca 0.07 -0.72 0.05 0.00 0.00 0.00 0.00 44.72 44.12 3fye s GLY 146 CO 0.02 -0.16 -0.22 -0.19 0.00 0.00 0.00 173.10 172.55 3fye s TYR 147 N -0.22 2.51 -0.04 1.90 1.51 0.38 -0.33 117.35 123.06 3fye s TYR 147 Ca 0.09 -0.57 0.02 0.00 -1.01 0.00 0.00 57.07 55.60 3fye s TYR 147 Cb -0.12 -1.62 0.01 0.00 -0.11 0.00 0.00 41.96 40.13 3fye s TYR 147 CO 0.01 -0.11 -0.08 -2.00 -1.11 0.00 0.00 175.55 172.26 3fye s GLU 148 N -0.28 1.06 -0.63 -0.62 2.12 0.35 -1.29 118.70 119.41 3fye s GLU 148 Ca 0.00 -0.23 -0.09 0.00 0.36 0.00 0.00 54.97 55.01 3fye s GLU 148 Cb -0.13 -0.97 0.16 0.00 0.26 0.00 0.00 34.13 33.45 3fye s GLU 148 CO 0.03 0.00 0.51 0.71 -0.54 0.00 0.00 175.26 175.97 3fye s TYR 149 N 0.63 3.51 0.41 5.30 1.51 0.82 0.15 117.35 129.68 3fye s TYR 149 Ca -0.10 -2.11 0.07 0.00 -1.01 0.00 0.00 57.07 53.93 3fye s TYR 149 Cb -0.13 -3.53 0.87 0.00 -0.11 0.00 0.00 41.96 39.05 3fye s TYR 149 CO 0.01 -0.95 2.05 -1.00 -1.11 0.00 0.00 175.55 174.55 3fye h PRO 150 N 7.88 0.54 0.00 -1.71 0.13 -1.83 -0.90 132.00 136.10 3fye h PRO 150 Ca -0.07 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 3fye h PRO 150 Cb 1.03 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 3fye h PRO 150 CO 0.80 0.36 -0.03 -0.44 -0.23 0.00 0.00 178.00 178.45 3fye h ASP 151 N 0.55 0.00 -0.01 1.44 3.45 -1.94 -3.22 116.42 116.70 3fye h ASP 151 Ca 0.16 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.62 3fye h ASP 151 Cb -0.02 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.75 3fye h ASP 151 CO -0.04 0.03 -0.06 -0.62 -1.57 0.00 0.00 179.24 176.99 3fye n GLU 152 N -3.18 0.99 -4.06 3.56 -0.58 -0.45 -4.99 120.64 111.92 3fye n GLU 152 Ca -0.01 -0.70 -0.32 0.00 -0.42 0.00 0.00 57.16 55.71 3fye n GLU 152 Cb 0.25 -1.05 -0.01 0.00 -0.57 0.00 0.00 31.44 30.06 3fye n GLU 152 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3fye n GLU 153 N 0.05 -3.99 -4.52 3.49 1.02 -0.57 -4.97 120.64 111.16 3fye n GLU 153 Ca 0.03 0.46 -0.34 0.00 -0.02 0.00 0.00 57.16 57.29 3fye n GLU 153 Cb 0.15 -5.12 -0.11 0.00 -0.02 0.00 0.00 31.44 26.34 3fye n GLU 153 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3fye s ILE 154 N -3.43 3.93 -0.09 -3.67 1.01 -1.16 -4.99 121.20 112.80 3fye s ILE 154 Ca 0.56 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.70 3fye s ILE 154 Cb -0.30 -2.64 0.03 0.00 0.01 0.00 0.00 42.46 39.57 3fye s ILE 154 CO 0.89 0.59 0.32 -0.55 0.00 0.00 0.00 174.94 176.19 3fye s SER 155 N -0.68 -0.30 0.03 3.58 0.15 -1.26 -0.13 113.70 115.09 3fye s SER 155 Ca 0.10 0.50 -0.28 0.00 0.70 0.00 0.00 55.95 56.98 3fye s SER 155 Cb -0.11 0.58 0.09 0.00 -1.71 0.00 0.00 66.02 64.87 3fye s SER 155 CO 0.02 -0.20 0.98 0.72 1.20 0.00 0.00 173.24 175.96 3fye s PHE 156 N -0.24 -0.22 0.14 3.44 -0.71 -0.42 -5.02 117.98 114.96 3fye s PHE 156 Ca -0.04 0.04 0.07 0.00 -1.04 0.00 0.00 56.93 55.96 3fye s PHE 156 Cb -0.03 0.57 -0.04 0.00 -1.21 0.00 0.00 43.02 42.31 3fye s PHE 156 CO 0.01 -0.58 -0.06 -1.21 -1.34 0.00 0.00 175.22 172.04 3fye s GLU 157 N -3.04 2.24 -0.15 1.99 8.01 -1.26 -0.47 118.70 126.01 3fye s GLU 157 Ca 0.09 -1.08 -0.01 0.00 0.01 0.00 0.00 54.97 53.97 3fye s GLU 157 Cb -0.01 -2.31 0.04 0.00 -4.31 0.00 0.00 34.13 27.54 3fye s GLU 157 CO -0.04 0.48 -0.03 0.45 0.01 0.00 0.00 175.26 176.12 3fye s SER 158 N -2.58 2.54 0.09 -0.19 0.15 0.73 -4.66 113.70 109.79 3fye s SER 158 Ca 0.24 -0.54 0.07 0.00 0.70 0.00 0.00 55.95 56.43 3fye s SER 158 Cb -0.10 -0.77 -0.04 0.00 -1.71 0.00 0.00 66.02 63.40 3fye s SER 158 CO 0.16 -0.20 -0.14 -0.31 1.20 0.00 0.00 173.24 173.95 3fye s TYR 159 N 1.74 2.64 0.27 3.44 1.51 -1.26 -2.34 117.35 123.34 3fye s TYR 159 Ca 0.02 -0.21 -0.31 0.00 -1.01 0.00 0.00 57.07 55.56 3fye s TYR 159 Cb -0.15 -1.42 -0.12 0.00 -0.11 0.00 0.00 41.96 40.16 3fye s TYR 159 CO -0.07 0.37 1.49 -0.12 -1.11 0.00 0.00 175.55 176.11 3fye n MET 160 N 0.98 2.36 -2.05 -0.62 0.00 -1.26 -0.76 117.12 115.76 3fye n MET 160 Ca -0.15 0.84 -0.42 0.00 -0.00 0.00 0.00 57.70 57.97 3fye n MET 160 Cb 0.52 -2.55 -0.03 0.00 0.00 0.00 0.00 33.22 31.16 3fye n MET 160 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3fye s ILE 161 N -0.07 3.65 0.00 1.12 1.01 -0.77 -1.42 121.20 124.72 3fye s ILE 161 Ca 0.66 0.79 0.00 0.00 0.00 0.00 0.00 60.65 62.10 3fye s ILE 161 Cb -0.57 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.39 3fye s ILE 161 CO 0.50 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.98 3fye n GLY 162 N 4.07 0.44 3.71 6.18 0.00 -1.26 -4.64 105.19 113.69 3fye n GLY 162 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3fye n GLY 162 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fye s SER 163 N -2.00 3.27 0.53 1.61 1.04 -0.51 -0.81 113.70 116.82 3fye s SER 163 Ca 0.00 1.44 0.26 0.00 0.48 0.00 0.00 55.95 58.13 3fye s SER 163 Cb 0.00 -2.11 1.40 0.00 0.10 0.00 0.00 66.02 65.41 3fye s SER 163 CO 0.00 -2.76 1.96 -0.65 0.98 0.00 0.00 173.24 172.77 3fye h PRO 164 N -1.63 0.03 -0.78 4.02 0.11 -1.85 -0.73 132.00 131.16 3fye h PRO 164 Ca -0.50 -0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.71 3fye h PRO 164 Cb 1.29 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.34 3fye h PRO 164 CO 0.55 0.02 0.51 0.00 -0.21 0.00 0.00 178.00 178.87 3fye h ALA 165 N 1.68 1.83 -0.69 -0.75 0.00 -1.90 -1.60 119.26 117.83 3fye h ALA 165 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3fye h ALA 165 Cb 1.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3fye h ALA 165 CO -0.01 -0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.48 3fye n THR 166 N -4.51 0.97 -0.17 0.00 -2.24 -0.64 -4.92 114.28 102.78 3fye n THR 166 Ca 0.14 -0.94 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 3fye n THR 166 Cb 0.37 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 3fye n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fye n GLY 167 N 1.57 0.76 0.37 3.38 0.00 -0.60 -4.81 105.19 105.86 3fye n GLY 167 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 3fye n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fye n GLY 168 N -2.09 2.12 2.68 -0.02 0.00 -0.38 -4.92 105.19 102.59 3fye n GLY 168 Ca 0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 46.02 43.83 3fye n GLY 168 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fye n ASP 169 N -2.77 2.12 -0.56 1.61 3.85 -1.09 -2.83 116.55 116.88 3fye n ASP 169 Ca 0.01 -2.31 -0.07 0.00 -0.71 0.00 0.00 54.79 51.71 3fye n ASP 169 Cb 0.06 -0.45 -0.03 0.00 -1.35 0.00 0.00 41.12 39.34 3fye n ASP 169 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3fye n ASN 170 N -0.61 -3.78 -4.30 -1.12 3.02 0.01 -4.95 115.26 103.53 3fye n ASN 170 Ca 0.13 0.16 -0.16 0.00 -0.03 0.00 0.00 54.58 54.68 3fye n ASN 170 Cb 0.83 -1.99 -0.10 0.00 -0.61 0.00 0.00 39.78 37.91 3fye n ASN 170 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fye s ARG 171 N -2.72 1.19 0.43 3.52 1.70 -1.26 -5.01 118.95 116.81 3fye s ARG 171 Ca 0.00 -1.51 -0.25 0.00 -0.47 0.00 0.00 55.73 53.50 3fye s ARG 171 Cb 0.00 -0.87 -0.08 0.00 -0.57 0.00 0.00 34.95 33.43 3fye s ARG 171 CO 0.00 0.13 1.30 1.41 -1.08 0.00 0.00 175.30 177.06 3fye s MET 172 N -3.68 3.81 0.22 3.89 -2.45 -1.26 -4.88 119.30 114.95 3fye s MET 172 Ca 0.19 2.13 -0.21 0.00 -1.25 0.00 0.00 55.69 56.55 3fye s MET 172 Cb 0.01 -2.63 0.04 0.00 1.25 0.00 0.00 34.83 33.49 3fye s MET 172 CO 0.04 -0.61 0.63 -1.54 1.05 0.00 0.00 175.02 174.58 3fye s SER 173 N -0.84 -0.37 0.25 1.11 1.04 -1.26 -4.99 113.70 108.64 3fye s SER 173 Ca 0.60 -0.37 -0.04 0.00 0.48 0.00 0.00 55.95 56.63 3fye s SER 173 Cb -0.37 0.65 0.46 0.00 0.10 0.00 0.00 66.02 66.86 3fye s SER 173 CO 0.47 -1.14 1.75 -0.65 0.98 0.00 0.00 173.24 174.65 3fye h PRO 174 N 2.05 0.53 -0.58 4.02 0.11 -1.99 -0.08 132.00 136.05 3fye h PRO 174 Ca -0.27 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.83 3fye h PRO 174 Cb 1.27 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 3fye h PRO 174 CO 0.32 0.35 0.36 1.49 -0.21 0.00 0.00 178.00 180.31 3fye h GLU 175 N 0.54 0.70 -0.63 1.05 4.57 -1.99 -0.71 114.58 118.11 3fye h GLU 175 Ca 0.42 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.51 3fye h GLU 175 Cb 0.58 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 3fye h GLU 175 CO -0.36 0.46 0.22 0.28 -1.18 0.00 0.00 179.01 178.43 3fye h VAL 176 N 0.72 1.24 -0.57 0.32 2.07 -1.69 -1.68 116.25 116.67 3fye h VAL 176 Ca 0.23 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 3fye h VAL 176 Cb -0.01 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 3fye h VAL 176 CO -0.08 0.31 0.20 -0.08 0.02 0.00 0.00 177.57 177.94 3fye h GLU 177 N 0.90 0.87 -0.51 1.57 4.81 -0.63 -1.35 114.58 120.24 3fye h GLU 177 Ca 0.21 -0.17 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 3fye h GLU 177 Cb 0.26 -0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.44 3fye h GLU 177 CO -0.01 0.77 0.10 0.37 -0.73 0.00 0.00 179.01 179.51 3fye h GLN 178 N 0.79 0.23 -0.51 1.92 5.75 -0.94 -1.32 115.11 121.03 3fye h GLN 178 Ca 0.19 -0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.58 3fye h GLN 178 Cb 0.25 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 3fye h GLN 178 CO -0.01 0.15 -0.05 1.96 -2.65 0.00 0.00 178.83 178.24 3fye h GLN 179 N 0.24 0.90 0.02 1.69 4.20 -0.90 -1.33 115.11 119.93 3fye h GLN 179 Ca 0.26 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3fye h GLN 179 Cb 0.35 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3fye h GLN 179 CO -0.34 0.92 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.66 3fye h LEU 180 N 0.82 -0.03 -0.06 1.46 3.38 -0.84 -1.97 115.31 118.08 3fye h LEU 180 Ca 0.15 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.14 3fye h LEU 180 Cb 0.55 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 3fye h LEU 180 CO 0.03 -0.01 -0.14 0.40 0.09 0.00 0.00 178.44 178.81 3fye h ILE 181 N -0.04 0.63 -0.31 1.22 2.04 -1.08 0.18 117.51 120.15 3fye h ILE 181 Ca -0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 3fye h ILE 181 Cb 0.04 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3fye h ILE 181 CO 0.01 0.00 0.22 -0.33 0.00 0.00 0.00 178.15 178.05 3fye h GLU 182 N -0.21 0.02 -0.04 2.37 5.08 -1.14 -0.63 114.58 120.03 3fye h GLU 182 Ca 0.07 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3fye h GLU 182 Cb 0.31 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3fye h GLU 182 CO -0.19 0.02 0.00 0.00 -1.00 0.00 0.00 179.01 177.84 3fye n ALA 183 N -2.59 2.58 -0.19 3.43 0.00 -0.75 -4.90 120.51 118.10 3fye n ALA 183 Ca 0.04 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3fye n ALA 183 Cb 0.37 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3fye n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fye n GLY 184 N 1.13 0.90 0.00 0.00 0.00 -0.24 -5.07 105.19 101.90 3fye n GLY 184 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3fye n GLY 184 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fye n TYR 185 N -2.19 -0.17 -4.14 1.61 4.01 0.59 -4.99 117.16 111.88 3fye n TYR 185 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 3fye n TYR 185 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 38.96 3fye n TYR 185 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3fye s SER 186 N 0.07 0.64 0.42 7.72 1.04 -1.26 -3.66 113.70 118.67 3fye s SER 186 Ca 0.00 -1.40 0.22 0.00 0.48 0.00 0.00 55.95 55.24 3fye s SER 186 Cb 0.00 0.54 1.19 0.00 0.10 0.00 0.00 66.02 67.85 3fye s SER 186 CO 0.00 -1.09 1.76 -0.09 0.98 0.00 0.00 173.24 174.80 3fye h ARG 187 N 2.29 0.31 0.00 4.02 2.43 -1.94 -1.90 114.38 119.59 3fye h ARG 187 Ca -0.29 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 3fye h ARG 187 Cb 1.24 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3fye h ARG 187 CO 0.42 0.20 0.00 -0.44 -1.51 0.00 0.00 179.97 178.64 3fye h ASP 188 N 0.32 0.00 -0.12 -3.80 3.32 -2.00 -2.25 116.42 111.89 3fye h ASP 188 Ca 0.61 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.66 3fye h ASP 188 Cb 1.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.25 3fye h ASP 188 CO -0.28 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.62 3fye n GLU 189 N -3.05 1.86 -1.69 3.56 4.71 -0.71 -4.95 120.64 120.37 3fye n GLU 189 Ca -0.01 -1.27 -0.44 0.00 -0.01 0.00 0.00 57.16 55.43 3fye n GLU 189 Cb 0.21 -1.45 -0.02 0.00 -1.01 0.00 0.00 31.44 29.17 3fye n GLU 189 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3fye n PHE 190 N 0.51 2.35 0.00 -0.32 7.35 -0.85 -1.23 117.46 125.27 3fye n PHE 190 Ca 0.17 0.37 0.00 0.00 -0.76 0.00 0.00 57.45 57.23 3fye n PHE 190 Cb 0.40 -2.50 0.00 0.00 0.35 0.00 0.00 39.48 37.73 3fye n PHE 190 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3fye n LEU 191 N 2.28 0.00 -0.09 -2.13 4.77 -1.26 -4.80 117.00 115.78 3fye n LEU 191 Ca 0.11 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.92 3fye n LEU 191 Cb 0.33 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.35 3fye n LEU 191 CO 0.63 0.00 -1.11 0.18 -1.33 0.00 0.00 177.39 175.76 3fye n LEU 192 N 0.00 1.77 -4.76 2.23 4.77 -0.37 -4.58 117.00 116.07 3fye n LEU 192 Ca 0.00 0.13 -0.41 0.00 -0.03 0.00 0.00 56.01 55.71 3fye n LEU 192 Cb 0.00 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.51 3fye n LEU 192 CO 0.00 0.50 0.90 0.00 -1.33 0.00 0.00 177.39 177.46 3fye s ALA 193 N -2.33 3.46 0.28 -1.18 0.00 -0.50 -4.18 121.76 117.31 3fye s ALA 193 Ca -0.25 1.06 0.10 0.00 0.00 0.00 0.00 51.96 52.88 3fye s ALA 193 Cb 0.09 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 3fye s ALA 193 CO 0.34 -0.41 -0.08 0.95 0.00 0.00 0.00 175.76 176.56 3fye s THR 194 N -0.78 3.01 0.35 0.00 -4.23 -1.26 -1.85 115.64 110.88 3fye s THR 194 Ca 0.49 -2.11 0.03 0.00 -1.18 0.00 0.00 61.69 58.93 3fye s THR 194 Cb -0.35 -2.63 0.23 0.00 1.34 0.00 0.00 72.50 71.08 3fye s THR 194 CO 0.44 -0.37 1.97 -2.24 -0.54 0.00 0.00 174.62 173.88 3fye h ASP 195 N 2.02 0.62 -4.28 3.99 2.03 -1.24 -3.43 116.42 116.14 3fye h ASP 195 Ca -0.42 -0.05 -0.44 0.00 -0.73 0.00 0.00 57.03 55.38 3fye h ASP 195 Cb 1.25 -0.16 -0.21 0.00 -0.83 0.00 0.00 39.33 39.39 3fye h ASP 195 CO 0.61 0.52 -0.78 0.42 -1.03 0.00 0.00 179.24 178.97 3fye s THR 196 N -5.45 1.31 0.19 1.15 -4.23 -1.26 -5.03 115.64 102.32 3fye s THR 196 Ca -0.09 -1.48 0.10 0.00 -1.18 0.00 0.00 61.69 59.04 3fye s THR 196 Cb 0.17 -1.31 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 3fye s THR 196 CO 0.76 -0.25 -0.15 0.00 -0.54 0.00 0.00 174.62 174.44 3fye s ALA 197 N -1.52 2.80 -0.33 3.99 0.00 -1.26 -4.74 121.76 120.70 3fye s ALA 197 Ca 0.03 -1.55 -0.28 0.00 0.00 0.00 0.00 51.96 50.16 3fye s ALA 197 Cb -0.08 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.47 3fye s ALA 197 CO 0.03 0.44 1.03 1.41 0.00 0.00 0.00 175.76 178.67 3fye s MET 198 N -2.82 4.02 -0.17 0.00 1.75 -0.27 -4.92 119.30 116.90 3fye s MET 198 Ca 0.24 0.95 -0.07 0.00 -1.25 0.00 0.00 55.69 55.56 3fye s MET 198 Cb -0.08 -3.75 -0.04 0.00 2.84 0.00 0.00 34.83 33.80 3fye s MET 198 CO 0.13 -0.89 0.05 0.08 -0.65 0.00 0.00 175.02 173.74 3fye s VAL 199 N 3.57 4.68 0.05 10.11 1.01 -1.26 -0.68 120.40 137.87 3fye s VAL 199 Ca 0.43 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.33 3fye s VAL 199 Cb -0.12 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 3fye s VAL 199 CO 0.16 0.48 -0.04 0.68 0.00 0.00 0.00 175.10 176.38 3fye s VAL 200 N 0.26 0.28 0.22 2.92 -7.23 -0.37 -4.97 120.40 111.51 3fye s VAL 200 Ca 0.03 -1.52 -0.22 0.00 -1.81 0.00 0.00 61.98 58.47 3fye s VAL 200 Cb -0.12 -1.12 -0.08 0.00 0.56 0.00 0.00 36.38 35.62 3fye s VAL 200 CO 0.01 -0.79 0.76 -2.16 -0.31 0.00 0.00 175.10 172.60 3fye s PRO 201 N -3.03 4.36 0.64 4.82 0.04 -1.26 -0.75 135.00 139.82 3fye s PRO 201 Ca -0.00 0.99 -0.18 0.00 0.04 0.00 0.00 61.00 61.84 3fye s PRO 201 Cb 0.01 -2.97 -0.02 0.00 0.04 0.00 0.00 34.50 31.57 3fye s PRO 201 CO -0.06 0.43 1.27 1.55 0.04 0.00 0.00 177.00 180.23 3fye n VAL 202 N 0.94 4.79 -2.63 -0.36 3.14 0.19 -3.55 118.33 120.84 3fye n VAL 202 Ca -0.03 -0.50 -0.19 0.00 -2.96 0.00 0.00 64.34 60.66 3fye n VAL 202 Cb 0.50 -1.47 0.00 0.00 -1.06 0.00 0.00 33.84 31.82 3fye n VAL 202 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3fye n ASN 203 N -1.74 -5.16 -4.30 6.55 3.02 0.12 -4.80 115.26 108.95 3fye n ASN 203 Ca 0.15 -0.04 -0.24 0.00 -0.03 0.00 0.00 54.58 54.42 3fye n ASN 203 Cb 0.48 -4.29 -0.12 0.00 -0.61 0.00 0.00 39.78 35.24 3fye n ASN 203 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3fye s LYS 204 N -5.27 1.15 -0.42 3.52 -0.14 -1.23 -5.00 119.74 112.36 3fye s LYS 204 Ca 0.10 -1.19 -0.28 0.00 -1.36 0.00 0.00 55.97 53.24 3fye s LYS 204 Cb -0.05 -1.42 0.02 0.00 -1.68 0.00 0.00 37.83 34.71 3fye s LYS 204 CO 0.12 0.33 1.08 0.99 -0.76 0.00 0.00 175.35 177.11 3fye s THR 205 N -1.22 4.36 -0.23 2.17 2.01 -1.26 -4.08 115.64 117.39 3fye s THR 205 Ca 0.08 1.34 -0.09 0.00 0.31 0.00 0.00 61.69 63.32 3fye s THR 205 Cb -0.10 -4.50 -0.05 0.00 0.01 0.00 0.00 72.50 67.87 3fye s THR 205 CO 0.05 -0.78 0.13 -0.69 -0.69 0.00 0.00 174.62 172.63 3fye s VAL 206 N 4.04 5.11 -0.18 3.82 1.01 0.24 -0.57 120.40 133.87 3fye s VAL 206 Ca 0.45 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 3fye s VAL 206 Cb -0.09 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 3fye s VAL 206 CO 0.25 0.37 0.01 -0.69 0.00 0.00 0.00 175.10 175.03 3fye s VAL 207 N 0.98 4.15 -0.19 2.92 1.01 -0.26 -1.15 120.40 127.86 3fye s VAL 207 Ca 0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 3fye s VAL 207 Cb -0.13 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 3fye s VAL 207 CO 0.04 0.45 -0.06 -0.69 0.00 0.00 0.00 175.10 174.83 3fye s VAL 208 N 0.69 3.35 -0.26 2.92 1.01 -0.17 -1.71 120.40 126.23 3fye s VAL 208 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 3fye s VAL 208 Cb -0.14 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 3fye s VAL 208 CO 0.02 0.45 0.19 -1.10 0.00 0.00 0.00 175.10 174.66 3fye s GLN 209 N 1.10 4.00 -0.12 2.72 -0.21 0.25 -1.36 119.66 126.04 3fye s GLN 209 Ca 0.01 -0.28 0.02 0.00 0.02 0.00 0.00 55.36 55.13 3fye s GLN 209 Cb -0.15 -3.61 -0.01 0.00 1.00 0.00 0.00 33.01 30.25 3fye s GLN 209 CO -0.01 -0.08 -0.18 0.08 -2.12 0.00 0.00 175.29 172.97 3fye s VAL 210 N 1.48 2.53 0.16 1.09 1.01 0.12 0.11 120.40 126.89 3fye s VAL 210 Ca 0.08 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 3fye s VAL 210 Cb -0.15 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 3fye s VAL 210 CO 0.08 0.54 0.19 0.28 0.00 0.00 0.00 175.10 176.19 3fye s THR 211 N 0.43 0.07 0.09 3.92 -1.32 -0.58 -1.82 115.64 116.43 3fye s THR 211 Ca -0.13 -1.62 0.06 0.00 -1.21 0.00 0.00 61.69 58.79 3fye s THR 211 Cb -0.17 -1.96 -0.04 0.00 -1.51 0.00 0.00 72.50 68.82 3fye s THR 211 CO 0.06 -0.34 -0.08 -0.83 -2.21 0.00 0.00 174.62 171.22 3fye s GLY 212 N -3.01 1.80 -0.03 6.08 0.00 -1.16 -1.23 107.32 109.77 3fye s GLY 212 Ca 0.21 -1.19 0.18 0.00 0.00 0.00 0.00 44.72 43.92 3fye s GLY 212 CO 0.02 -1.15 0.54 0.00 0.00 0.00 0.00 173.10 172.51 3fye n ALA 213 N 0.83 1.95 0.14 3.20 0.00 -0.28 -3.42 120.51 122.92 3fye n ALA 213 Ca -0.13 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.54 3fye n ALA 213 Cb 0.52 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.28 3fye n ALA 213 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3fye n ASP 214 N -2.74 -0.12 -4.44 0.00 5.68 -1.26 -5.00 116.55 108.67 3fye n ASP 214 Ca -0.16 0.48 -0.30 0.00 -0.50 0.00 0.00 54.79 54.31 3fye n ASP 214 Cb 0.89 0.38 -0.07 0.00 -1.14 0.00 0.00 41.12 41.18 3fye n ASP 214 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3fye s VAL 215 N -2.00 0.79 0.07 2.12 -7.23 -1.26 -4.90 120.40 107.98 3fye s VAL 215 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 3fye s VAL 215 Cb 0.00 -2.14 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 3fye s VAL 215 CO 0.00 0.00 1.12 -0.63 -0.31 0.00 0.00 175.10 175.28 3fye s ILE 216 N -3.02 4.25 0.53 -0.62 1.01 -1.26 -4.47 121.20 117.61 3fye s ILE 216 Ca 0.11 1.67 0.00 0.00 0.00 0.00 0.00 60.65 62.42 3fye s ILE 216 Cb 0.01 -4.07 -0.00 0.00 0.01 0.00 0.00 42.46 38.41 3fye s ILE 216 CO 0.07 0.16 0.00 -1.00 0.00 0.00 0.00 174.94 174.17 3fye s HIS 217 N 0.80 1.74 -0.10 3.97 3.76 -0.96 -4.35 115.29 120.16 3fye s HIS 217 Ca 0.55 -1.01 -0.05 0.00 -0.15 0.00 0.00 55.06 54.40 3fye s HIS 217 Cb -0.27 -1.58 0.05 0.00 1.11 0.00 0.00 32.58 31.89 3fye s HIS 217 CO 0.30 0.19 0.22 0.45 -0.85 0.00 0.00 174.74 175.04 3fye s SER 218 N -3.91 -0.15 -0.21 1.40 0.15 -1.26 0.64 113.70 110.35 3fye s SER 218 Ca 0.00 0.46 -0.10 0.00 0.70 0.00 0.00 55.95 57.02 3fye s SER 218 Cb 0.00 0.36 -0.05 0.00 -1.71 0.00 0.00 66.02 64.62 3fye s SER 218 CO 0.00 -0.17 0.13 0.86 1.20 0.00 0.00 173.24 175.27 3fye s TRP 219 N 1.34 3.36 -0.05 3.44 -0.00 -0.62 -1.06 118.94 125.34 3fye s TRP 219 Ca -0.08 0.26 -0.15 0.00 -0.00 0.00 0.00 56.10 56.12 3fye s TRP 219 Cb -0.11 -2.19 0.03 0.00 -0.00 0.00 0.00 33.47 31.20 3fye s TRP 219 CO -0.08 0.19 0.35 -0.08 -0.00 0.00 0.00 176.95 177.33 3fye s THR 220 N 0.64 0.04 -0.26 5.86 -1.32 -1.26 -1.23 115.64 118.11 3fye s THR 220 Ca 0.07 -0.32 -0.02 0.00 -1.21 0.00 0.00 61.69 60.21 3fye s THR 220 Cb -0.12 -0.62 0.08 0.00 -1.51 0.00 0.00 72.50 70.34 3fye s THR 220 CO 0.01 -0.17 0.09 -0.69 -2.21 0.00 0.00 174.62 171.64 3fye s VAL 221 N -0.91 0.47 0.29 5.08 1.01 -0.95 -3.93 120.40 121.46 3fye s VAL 221 Ca -0.10 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.03 3fye s VAL 221 Cb -0.04 -1.23 0.29 0.00 0.00 0.00 0.00 36.38 35.40 3fye s VAL 221 CO 0.04 -0.52 1.78 -0.65 0.00 0.00 0.00 175.10 175.75 3fye h PRO 222 N 8.24 0.75 0.00 2.72 0.11 -1.80 -0.47 132.00 141.55 3fye h PRO 222 Ca -0.16 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.90 3fye h PRO 222 Cb 1.05 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 3fye h PRO 222 CO 0.41 0.49 -0.01 0.00 -0.21 0.00 0.00 178.00 178.69 3fye h ALA 223 N 1.62 1.26 -0.01 -0.75 0.00 -1.85 -2.21 119.26 117.33 3fye h ALA 223 Ca 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3fye h ALA 223 Cb 0.80 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3fye h ALA 223 CO -0.37 0.01 -0.77 1.19 0.00 0.00 0.00 179.25 179.32 3fye n PHE 224 N -3.48 0.00 -2.49 0.00 3.72 -0.21 -0.76 117.46 114.23 3fye n PHE 224 Ca -0.03 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.25 3fye n PHE 224 Cb 0.09 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 38.63 3fye n PHE 224 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fye n GLY 225 N 1.47 -0.05 3.27 1.37 0.00 -0.83 -3.78 105.19 106.64 3fye n GLY 225 Ca 0.06 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 3fye n GLY 225 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fye s VAL 226 N -2.76 1.73 -0.28 1.61 -7.23 -1.21 -4.79 120.40 107.47 3fye s VAL 226 Ca 0.10 -1.35 -0.18 0.00 -1.81 0.00 0.00 61.98 58.74 3fye s VAL 226 Cb -0.04 -1.53 0.08 0.00 0.56 0.00 0.00 36.38 35.45 3fye s VAL 226 CO 0.12 0.12 0.72 -0.75 -0.31 0.00 0.00 175.10 175.00 3fye s LYS 227 N -1.47 0.71 -0.15 4.82 2.20 -1.26 -2.25 119.74 122.34 3fye s LYS 227 Ca 0.08 1.14 -0.06 0.00 -0.36 0.00 0.00 55.97 56.76 3fye s LYS 227 Cb -0.09 0.19 0.07 0.00 -1.51 0.00 0.00 37.83 36.48 3fye s LYS 227 CO 0.03 -0.13 0.33 -1.14 -0.36 0.00 0.00 175.35 174.07 3fye s GLN 228 N 1.35 0.25 0.43 4.03 2.00 -0.36 -4.99 119.66 122.37 3fye s GLN 228 Ca -0.08 0.80 -0.26 0.00 -2.00 0.00 0.00 55.36 53.82 3fye s GLN 228 Cb -0.05 0.05 -0.09 0.00 0.80 0.00 0.00 33.01 33.72 3fye s GLN 228 CO -0.15 -0.23 1.43 -0.51 -0.50 0.00 0.00 175.29 175.32 3fye s ASP 229 N 2.08 6.03 -0.84 6.67 -0.00 -1.26 -1.59 116.67 127.76 3fye s ASP 229 Ca -0.03 2.93 -0.13 0.00 -0.00 0.00 0.00 52.55 55.32 3fye s ASP 229 Cb -0.11 -2.66 0.22 0.00 -0.00 0.00 0.00 42.92 40.37 3fye s ASP 229 CO -0.10 -1.07 0.78 0.00 -0.00 0.00 0.00 175.17 174.77 3fye s ALA 230 N -1.19 4.11 -0.25 5.23 0.00 0.21 -4.75 121.76 125.12 3fye s ALA 230 Ca 0.58 -3.38 -0.12 0.00 0.00 0.00 0.00 51.96 49.04 3fye s ALA 230 Cb -0.44 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.18 3fye s ALA 230 CO 0.57 -2.26 0.25 0.08 0.00 0.00 0.00 175.76 174.41 3fye s VAL 231 N -0.00 5.28 0.12 0.00 1.01 -1.26 -2.27 120.40 123.27 3fye s VAL 231 Ca 0.19 0.35 -0.35 0.00 0.00 0.00 0.00 61.98 62.17 3fye s VAL 231 Cb -0.11 -3.59 -0.16 0.00 0.00 0.00 0.00 36.38 32.52 3fye s VAL 231 CO -0.09 0.27 1.36 -2.65 0.00 0.00 0.00 175.10 173.99 3fye n PRO 232 N 4.73 1.35 -0.17 2.72 -0.02 -1.22 -1.71 135.00 140.69 3fye n PRO 232 Ca -0.12 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3fye n PRO 232 Cb 0.52 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3fye n PRO 232 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fye n GLY 233 N 2.59 1.20 3.13 -1.23 0.00 -1.26 -4.93 105.19 104.69 3fye n GLY 233 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 3fye n GLY 233 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fye s ARG 234 N -0.52 1.15 -0.28 1.61 0.52 -0.69 -5.12 118.95 115.62 3fye s ARG 234 Ca 0.00 -0.59 -0.04 0.00 -0.52 0.00 0.00 55.73 54.58 3fye s ARG 234 Cb 0.00 -1.13 0.02 0.00 0.52 0.00 0.00 34.95 34.36 3fye s ARG 234 CO 0.00 0.30 0.01 -1.17 0.02 0.00 0.00 175.30 174.47 3fye s LEU 235 N -0.55 3.59 0.15 2.53 2.96 -1.26 -4.34 118.68 121.76 3fye s LEU 235 Ca 0.05 -0.85 0.09 0.00 -0.22 0.00 0.00 54.13 53.20 3fye s LEU 235 Cb -0.06 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 3fye s LEU 235 CO -0.00 -0.18 -0.14 0.00 -1.32 0.00 0.00 176.35 174.71 3fye s ALA 236 N 1.40 2.81 0.13 5.97 0.00 -0.75 -4.90 121.76 126.41 3fye s ALA 236 Ca 0.01 -1.42 0.10 0.00 0.00 0.00 0.00 51.96 50.65 3fye s ALA 236 Cb -0.17 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 3fye s ALA 236 CO -0.01 0.53 -0.23 -0.65 0.00 0.00 0.00 175.76 175.41 3fye s GLN 237 N -2.49 1.58 0.15 0.00 -0.21 -1.26 0.14 119.66 117.58 3fye s GLN 237 Ca 0.21 -1.30 -0.01 0.00 0.02 0.00 0.00 55.36 54.29 3fye s GLN 237 Cb -0.10 -1.99 -0.04 0.00 1.00 0.00 0.00 33.01 31.89 3fye s GLN 237 CO 0.13 0.46 0.08 -0.48 -2.12 0.00 0.00 175.29 173.35 3fye s LEU 238 N -2.18 1.57 0.05 2.90 0.05 -0.46 -5.00 118.68 115.60 3fye s LEU 238 Ca 0.17 -1.26 0.01 0.00 0.05 0.00 0.00 54.13 53.09 3fye s LEU 238 Cb -0.10 0.33 -0.03 0.00 -2.05 0.00 0.00 46.19 44.34 3fye s LEU 238 CO 0.08 -0.77 -0.05 -1.66 -0.55 0.00 0.00 176.35 173.41 3fye s TRP 239 N -4.08 0.54 0.05 3.48 1.48 -1.26 -1.00 118.94 118.15 3fye s TRP 239 Ca 0.29 -0.75 -0.14 0.00 -1.06 0.00 0.00 56.10 54.44 3fye s TRP 239 Cb 0.07 -0.36 0.02 0.00 -1.16 0.00 0.00 33.47 32.05 3fye s TRP 239 CO 0.05 -0.21 0.32 -0.59 -4.06 0.00 0.00 176.95 172.45 3fye s PHE 240 N -2.55 -0.12 -0.18 1.66 -0.71 -0.30 -4.93 117.98 110.85 3fye s PHE 240 Ca -0.03 -0.02 0.00 0.00 -1.04 0.00 0.00 56.93 55.85 3fye s PHE 240 Cb -0.02 0.11 0.04 0.00 -1.21 0.00 0.00 43.02 41.94 3fye s PHE 240 CO -0.04 -0.52 -0.09 0.50 -1.34 0.00 0.00 175.22 173.73 3fye s ARG 241 N -2.61 1.91 0.01 1.99 3.52 -1.26 -0.59 118.95 121.92 3fye s ARG 241 Ca -0.05 -0.71 -0.27 0.00 -0.13 0.00 0.00 55.73 54.58 3fye s ARG 241 Cb -0.01 -2.25 -0.04 0.00 -1.56 0.00 0.00 34.95 31.09 3fye s ARG 241 CO -0.04 -0.40 0.86 0.00 -0.81 0.00 0.00 175.30 174.91 3fye s ALA 242 N 1.48 3.26 -2.45 6.12 0.00 -1.26 -4.12 121.76 124.79 3fye s ALA 242 Ca 0.00 0.39 0.22 0.00 0.00 0.00 0.00 51.96 52.57 3fye s ALA 242 Cb -0.15 -3.16 0.09 0.00 0.00 0.00 0.00 23.12 19.90 3fye s ALA 242 CO -0.08 -0.10 1.14 0.39 0.00 0.00 0.00 175.76 177.11 3fye n GLU 243 N 3.47 1.77 -3.62 0.00 1.02 -0.25 0.16 120.64 123.18 3fye n GLU 243 Ca 0.02 -1.46 -0.14 0.00 -0.02 0.00 0.00 57.16 55.56 3fye n GLU 243 Cb 0.51 -1.44 -0.06 0.00 -0.02 0.00 0.00 31.44 30.42 3fye n GLU 243 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3fye s ARG 244 N -2.13 0.95 0.51 3.49 1.70 -1.26 -4.88 118.95 117.34 3fye s ARG 244 Ca 0.23 -0.22 -0.19 0.00 -0.47 0.00 0.00 55.73 55.07 3fye s ARG 244 Cb 0.18 0.43 -0.07 0.00 -0.57 0.00 0.00 34.95 34.92 3fye s ARG 244 CO 0.40 -0.32 1.05 -1.21 -1.08 0.00 0.00 175.30 174.14 3fye s GLU 245 N -2.17 3.65 0.00 3.89 2.02 -1.26 -4.84 118.70 119.99 3fye s GLU 245 Ca -0.07 1.35 0.00 0.00 0.02 0.00 0.00 54.97 56.27 3fye s GLU 245 Cb -0.01 -2.07 0.00 0.00 0.10 0.00 0.00 34.13 32.15 3fye s GLU 245 CO 0.00 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.14 3fye n GLY 246 N -0.37 -0.08 3.54 -1.39 0.00 -0.52 -4.72 105.19 101.65 3fye n GLY 246 Ca 0.09 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 3fye n GLY 246 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fye s ILE 247 N -2.58 3.80 -0.03 -0.61 1.01 -0.08 -1.07 121.20 121.66 3fye s ILE 247 Ca 0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 60.65 60.23 3fye s ILE 247 Cb 0.00 -2.61 0.03 0.00 0.01 0.00 0.00 42.46 39.89 3fye s ILE 247 CO 0.00 0.55 0.03 -0.36 0.00 0.00 0.00 174.94 175.16 3fye s PHE 248 N -0.25 0.09 0.04 3.97 0.08 -0.43 -1.27 117.98 120.20 3fye s PHE 248 Ca 0.04 0.12 0.04 0.00 0.12 0.00 0.00 56.93 57.25 3fye s PHE 248 Cb -0.13 -0.31 -0.04 0.00 -0.57 0.00 0.00 43.02 41.98 3fye s PHE 248 CO 0.02 -0.11 -0.06 -0.06 -0.10 0.00 0.00 175.22 174.91 3fye s PHE 249 N 1.24 2.88 0.28 0.36 0.08 0.35 -0.75 117.98 122.42 3fye s PHE 249 Ca -0.07 -0.06 0.02 0.00 0.12 0.00 0.00 56.93 56.94 3fye s PHE 249 Cb -0.13 -1.56 -0.05 0.00 -0.57 0.00 0.00 43.02 40.71 3fye s PHE 249 CO -0.03 0.40 0.11 0.20 -0.10 0.00 0.00 175.22 175.80 3fye s GLY 250 N -1.72 1.85 0.04 4.36 0.00 -0.18 -4.21 107.32 107.46 3fye s GLY 250 Ca 0.19 -1.84 0.02 0.00 0.00 0.00 0.00 44.72 43.09 3fye s GLY 250 CO 0.10 -1.62 -0.07 1.20 0.00 0.00 0.00 173.10 172.72 3fye s GLN 251 N -3.97 0.50 -0.02 2.90 -0.21 -1.26 -0.37 119.66 117.23 3fye s GLN 251 Ca 0.37 -0.68 -0.33 0.00 0.02 0.00 0.00 55.36 54.74 3fye s GLN 251 Cb 0.07 -0.27 -0.11 0.00 1.00 0.00 0.00 33.01 33.70 3fye s GLN 251 CO 0.14 0.05 1.86 0.00 -2.12 0.00 0.00 175.29 175.23 3fye n SER 253 N 6.36 3.21 -3.72 0.00 7.64 -0.23 -4.85 113.62 122.03 3fye n SER 253 Ca 0.21 -3.55 -0.16 0.00 1.01 0.00 0.00 58.87 56.39 3fye n SER 253 Cb 0.32 -0.67 -0.16 0.00 -1.01 0.00 0.00 64.21 62.70 3fye n SER 253 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3fye s GLU 254 N -3.15 0.02 0.02 1.43 2.56 -1.26 -4.65 118.70 113.66 3fye s GLU 254 Ca 0.47 0.39 -0.35 0.00 0.00 0.00 0.00 54.97 55.48 3fye s GLU 254 Cb 0.41 -0.27 -0.13 0.00 2.00 0.00 0.00 34.13 36.14 3fye s GLU 254 CO 0.05 -0.23 1.70 -0.11 -0.56 0.00 0.00 175.26 176.10 3fye n LEU 255 N 4.68 3.07 -0.34 2.70 7.94 -1.26 -4.51 117.00 129.28 3fye n LEU 255 Ca -0.17 1.04 0.02 0.00 -1.11 0.00 0.00 56.01 55.79 3fye n LEU 255 Cb 0.51 -1.36 0.03 0.00 0.53 0.00 0.00 43.42 43.12 3fye n LEU 255 CO 0.13 -0.26 0.33 0.00 -1.11 0.00 0.00 177.39 176.48 3fye n GLY 257 N -0.33 -0.39 0.33 0.00 0.00 -1.26 -4.78 105.19 98.76 3fye n GLY 257 Ca 0.03 -2.18 0.10 0.00 0.00 0.00 0.00 46.02 43.97 3fye n GLY 257 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3fye h ILE 258 N 0.00 0.94 -0.18 -0.61 2.10 -2.03 -2.63 117.51 115.10 3fye h ILE 258 Ca 0.00 -0.11 -0.08 0.00 1.08 0.00 0.00 64.86 65.75 3fye h ILE 258 Cb 0.00 0.60 -0.05 0.00 -1.09 0.00 0.00 36.82 36.28 3fye h ILE 258 CO 0.00 0.06 -0.22 -1.20 -1.08 0.00 0.00 178.15 175.70 3fye n SER 259 N -4.47 2.27 -0.30 2.19 7.64 -1.26 -4.70 113.62 114.99 3fye n SER 259 Ca 0.06 -3.70 0.14 0.00 1.01 0.00 0.00 58.87 56.37 3fye n SER 259 Cb 0.27 -0.57 0.31 0.00 -1.01 0.00 0.00 64.21 63.22 3fye n SER 259 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 3fye h HIS 260 N 0.96 0.49 0.00 1.43 6.17 -1.77 -0.42 115.15 122.01 3fye h HIS 260 Ca 0.10 0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.23 3fye h HIS 260 Cb 1.33 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 31.19 3fye h HIS 260 CO 0.79 -0.16 0.00 0.00 0.71 0.00 0.00 177.93 179.27 3fye n ALA 261 N -2.60 1.79 -2.11 5.26 0.00 -1.26 -4.00 120.51 117.59 3fye n ALA 261 Ca 0.22 -0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.53 3fye n ALA 261 Cb 0.70 -1.27 0.08 0.00 0.00 0.00 0.00 19.45 18.96 3fye n ALA 261 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3fye n TYR 262 N -1.47 1.35 -3.09 0.00 4.01 -0.17 -4.86 117.16 112.95 3fye n TYR 262 Ca 0.05 -1.79 -0.20 0.00 -0.16 0.00 0.00 57.90 55.80 3fye n TYR 262 Cb 0.19 -0.27 -0.04 0.00 -0.31 0.00 0.00 39.34 38.91 3fye n TYR 262 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3fye n MET 263 N -0.65 0.75 -1.17 -0.72 0.00 -1.23 -4.42 117.12 109.68 3fye n MET 263 Ca 0.25 -2.89 -0.15 0.00 0.00 0.00 0.00 57.70 54.91 3fye n MET 263 Cb 0.88 -1.30 0.10 0.00 0.00 0.00 0.00 33.22 32.91 3fye n MET 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 3fye n PRO 264 N 1.35 -0.50 -4.16 3.17 -0.04 -1.26 -3.62 135.00 129.93 3fye n PRO 264 Ca 0.18 -1.19 -0.22 0.00 -0.04 0.00 0.00 63.50 62.24 3fye n PRO 264 Cb 0.56 -0.66 -0.17 0.00 -0.04 0.00 0.00 33.50 33.20 3fye n PRO 264 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3fye s ILE 265 N -2.35 0.66 -0.15 0.52 1.01 0.51 -4.83 121.20 116.57 3fye s ILE 265 Ca 0.40 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.90 3fye s ILE 265 Cb -0.01 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 41.79 3fye s ILE 265 CO 0.28 0.26 -0.21 -0.89 0.00 0.00 0.00 174.94 174.38 3fye s THR 266 N 1.07 1.99 -0.13 2.92 2.01 -1.26 -1.02 115.64 121.22 3fye s THR 266 Ca -0.08 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 60.98 3fye s THR 266 Cb -0.14 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.57 3fye s THR 266 CO -0.01 0.53 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.68 3fye s VAL 267 N 0.99 3.42 -0.26 3.82 1.01 0.07 -1.11 120.40 128.34 3fye s VAL 267 Ca -0.03 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 3fye s VAL 267 Cb -0.15 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.78 3fye s VAL 267 CO -0.05 0.52 0.00 -0.54 0.00 0.00 0.00 175.10 175.03 3fye s LYS 268 N 0.27 3.10 -0.26 2.72 1.02 0.14 -1.31 119.74 125.41 3fye s LYS 268 Ca -0.07 -0.83 -0.13 0.00 0.02 0.00 0.00 55.97 54.97 3fye s LYS 268 Cb -0.15 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 33.97 3fye s LYS 268 CO 0.04 -0.36 0.28 0.08 -0.92 0.00 0.00 175.35 174.47 3fye s VAL 269 N 1.44 5.26 0.35 3.17 1.01 -0.23 -1.23 120.40 130.16 3fye s VAL 269 Ca 0.03 0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.43 3fye s VAL 269 Cb -0.16 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 3fye s VAL 269 CO -0.01 0.24 0.12 0.68 0.00 0.00 0.00 175.10 176.12 3fye s VAL 270 N 1.67 0.66 0.74 2.92 -7.23 0.07 -1.44 120.40 117.78 3fye s VAL 270 Ca 0.12 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.14 3fye s VAL 270 Cb -0.15 -2.53 0.04 0.00 0.56 0.00 0.00 36.38 34.30 3fye s VAL 270 CO 0.09 0.00 1.20 -0.94 -0.31 0.00 0.00 175.10 175.14 3fye s SER 271 N -3.49 4.18 0.31 4.85 1.04 -1.26 0.52 113.70 119.86 3fye s SER 271 Ca 0.31 2.32 0.08 0.00 0.48 0.00 0.00 55.95 59.14 3fye s SER 271 Cb 0.05 -2.58 0.85 0.00 0.10 0.00 0.00 66.02 64.44 3fye s SER 271 CO 0.16 -2.27 1.71 -0.33 0.98 0.00 0.00 173.24 173.49 3fye h GLU 272 N -0.37 0.47 -0.12 4.02 5.08 -1.93 0.17 114.58 121.90 3fye h GLU 272 Ca -0.47 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 57.79 3fye h GLU 272 Cb 1.29 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 3fye h GLU 272 CO 0.50 0.31 -0.20 0.93 -1.00 0.00 0.00 179.01 179.55 3fye h GLU 273 N 0.49 0.35 -0.50 2.33 5.08 -1.99 -1.64 114.58 118.69 3fye h GLU 273 Ca 0.63 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.73 3fye h GLU 273 Cb 1.22 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 3fye h GLU 273 CO -0.51 0.80 0.13 0.00 -1.00 0.00 0.00 179.01 178.43 3fye h ALA 274 N 0.55 1.30 -0.11 3.43 0.00 -1.83 0.31 119.26 122.90 3fye h ALA 274 Ca 0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3fye h ALA 274 Cb 0.78 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3fye h ALA 274 CO 0.05 0.50 0.05 -0.92 0.00 0.00 0.00 179.25 178.92 3fye h TYR 275 N 0.73 0.16 -0.63 0.00 3.20 -0.97 -0.40 116.97 119.06 3fye h TYR 275 Ca 0.16 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.09 3fye h TYR 275 Cb 0.25 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.42 3fye h TYR 275 CO 0.01 0.23 0.32 0.00 -1.64 0.00 0.00 178.16 177.08 3fye h ALA 276 N 0.92 0.84 -0.51 1.82 0.00 -0.84 0.53 119.26 122.03 3fye h ALA 276 Ca 0.04 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3fye h ALA 276 Cb 0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3fye h ALA 276 CO -0.00 -0.03 0.29 0.00 0.00 0.00 0.00 179.25 179.50 3fye h ALA 277 N 1.36 0.65 -0.56 0.00 0.00 -0.72 -0.10 119.26 119.87 3fye h ALA 277 Ca 0.29 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.24 3fye h ALA 277 Cb 0.23 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3fye h ALA 277 CO -0.21 -0.03 0.32 2.35 0.00 0.00 0.00 179.25 181.69 3fye h TRP 278 N 0.57 0.60 -0.32 0.00 7.01 -0.45 -1.78 115.95 121.58 3fye h TRP 278 Ca 0.21 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.24 3fye h TRP 278 Cb 0.05 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.91 3fye h TRP 278 CO -0.08 0.33 0.21 -0.07 -2.79 0.00 0.00 178.44 176.04 3fye h LEU 279 N 0.63 0.35 -1.17 0.65 3.38 -0.08 -2.93 115.31 116.14 3fye h LEU 279 Ca 0.23 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 3fye h LEU 279 Cb 0.07 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3fye h LEU 279 CO -0.12 0.25 0.10 -0.08 0.09 0.00 0.00 178.44 178.68 3fye h GLU 280 N 0.42 0.68 -0.24 1.13 4.57 -0.68 -1.23 114.58 119.23 3fye h GLU 280 Ca 0.12 -0.13 0.07 0.00 -1.18 0.00 0.00 59.36 58.24 3fye h GLU 280 Cb -0.03 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 3fye h GLU 280 CO -0.04 0.63 0.22 1.96 -1.18 0.00 0.00 179.01 180.60 3fye h GLN 281 N 0.66 0.00 -0.01 1.92 4.20 -1.14 -1.25 115.11 119.49 3fye h GLN 281 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3fye h GLN 281 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3fye h GLN 281 CO -0.00 0.00 -0.38 0.72 -0.67 0.00 0.00 178.83 178.50 3fye n HIS 282 N -4.02 0.00 -2.74 2.96 8.25 -0.48 -4.92 115.22 114.27 3fye n HIS 282 Ca 0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.07 3fye n HIS 282 Cb 0.36 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.33 3fye n HIS 282 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3fye s HIS 283 N -2.61 3.49 -0.20 4.41 5.04 -0.47 -5.01 115.29 119.94 3fye s HIS 283 Ca 0.20 1.51 -0.18 0.00 -1.54 0.00 0.00 55.06 55.05 3fye s HIS 283 Cb 0.19 -3.14 -0.03 0.00 0.04 0.00 0.00 32.58 29.63 3fye s HIS 283 CO 0.58 -0.22 0.50 -1.01 -2.34 0.00 0.00 174.74 172.25 3fye s HIS 284 N 2.03 3.37 -2.79 3.88 0.09 -1.26 -5.04 115.29 115.57 3fye s HIS 284 Ca 0.46 0.74 0.22 0.00 -0.00 0.00 0.00 55.06 56.48 3fye s HIS 284 Cb -0.18 -2.65 0.18 0.00 -0.00 0.00 0.00 32.58 29.93 3fye s HIS 284 CO 0.16 -0.09 1.21 0.72 -0.00 0.00 0.00 174.74 176.74