#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f1u s ASN 3 N 0.00 6.28 0.41 8.00 0.02 -1.26 -5.02 114.94 123.37 1f1u s ASN 3 Ca 0.00 -1.39 -0.23 0.00 -1.02 0.00 0.00 52.86 50.22 1f1u s ASN 3 Cb 0.00 -2.37 -0.09 0.00 0.02 0.00 0.00 41.25 38.81 1f1u s ASN 3 CO 0.00 -1.24 1.02 -0.36 0.02 0.00 0.00 177.10 176.55 1f1u s PHE 4 N 3.22 3.27 0.23 2.20 0.08 -1.26 -4.87 117.98 120.85 1f1u s PHE 4 Ca 0.20 1.64 -0.30 0.00 0.12 0.00 0.00 56.93 58.60 1f1u s PHE 4 Cb -0.17 -3.06 -0.09 0.00 -0.57 0.00 0.00 43.02 39.13 1f1u s PHE 4 CO 0.05 -0.50 1.33 0.08 -0.10 0.00 0.00 175.22 176.07 1f1u s VAL 5 N -1.78 3.03 0.63 -0.44 1.01 -1.26 -4.97 120.40 116.62 1f1u s VAL 5 Ca 0.59 0.88 -0.18 0.00 0.00 0.00 0.00 61.98 63.27 1f1u s VAL 5 Cb -0.19 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1f1u s VAL 5 CO 0.24 0.15 1.26 -2.65 0.00 0.00 0.00 175.10 174.09 1f1u n PRO 6 N 2.21 1.15 -3.04 2.72 -0.02 -1.26 -4.87 135.00 131.89 1f1u n PRO 6 Ca 0.05 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 1f1u n PRO 6 Cb 0.42 -2.49 -0.06 0.00 -0.02 0.00 0.00 33.50 31.35 1f1u n PRO 6 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1f1u s THR 7 N -1.39 4.78 0.83 3.45 2.01 -1.26 -5.03 115.64 119.03 1f1u s THR 7 Ca 0.81 0.53 -0.13 0.00 0.31 0.00 0.00 61.69 63.21 1f1u s THR 7 Cb -0.39 -4.19 0.09 0.00 0.01 0.00 0.00 72.50 68.01 1f1u s THR 7 CO 0.42 -0.50 1.14 -2.65 -0.69 0.00 0.00 174.62 172.35 1f1u n PRO 8 N 6.35 0.07 0.10 4.92 -0.02 -1.26 -4.90 135.00 140.26 1f1u n PRO 8 Ca 0.01 0.10 0.12 0.00 -2.02 0.00 0.00 63.50 61.71 1f1u n PRO 8 Cb 0.48 -2.39 0.46 0.00 -0.02 0.00 0.00 33.50 32.03 1f1u n PRO 8 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1f1u n SER 9 N -3.25 0.63 -4.80 2.55 3.41 -1.26 -4.80 113.62 106.11 1f1u n SER 9 Ca 0.13 0.61 -0.26 0.00 -0.26 0.00 0.00 58.87 59.09 1f1u n SER 9 Cb 0.51 -0.76 -0.05 0.00 -0.26 0.00 0.00 64.21 63.64 1f1u n SER 9 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1f1u s VAL 10 N -3.20 4.48 0.49 -3.33 -7.23 -1.26 -5.08 120.40 105.28 1f1u s VAL 10 Ca 0.07 -1.10 -0.23 0.00 -1.81 0.00 0.00 61.98 58.91 1f1u s VAL 10 Cb 0.11 -3.30 -0.06 0.00 0.56 0.00 0.00 36.38 33.69 1f1u s VAL 10 CO 0.46 -0.12 1.33 -2.84 -0.31 0.00 0.00 175.10 173.62 1f1u s PRO 11 N -3.15 3.48 0.62 4.82 0.02 -1.26 -4.94 135.00 134.59 1f1u s PRO 11 Ca 0.31 2.18 -0.17 0.00 0.02 0.00 0.00 61.00 63.33 1f1u s PRO 11 Cb -0.10 -2.44 -0.02 0.00 0.02 0.00 0.00 34.50 31.97 1f1u s PRO 11 CO 0.23 -0.90 1.16 0.00 -0.33 0.00 0.00 177.00 177.17 1f1u s ALA 12 N -1.32 2.49 0.54 -1.55 0.00 -1.26 -4.77 121.76 115.88 1f1u s ALA 12 Ca 0.66 0.83 -0.21 0.00 0.00 0.00 0.00 51.96 53.23 1f1u s ALA 12 Cb -0.39 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.28 1f1u s ALA 12 CO 0.47 -1.22 1.28 -1.25 0.00 0.00 0.00 175.76 175.04 1f1u s PRO 13 N -3.61 3.24 -0.65 0.00 0.04 -1.26 -4.91 135.00 127.85 1f1u s PRO 13 Ca 0.73 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 63.55 1f1u s PRO 13 Cb -0.26 -2.22 0.04 0.00 0.04 0.00 0.00 34.50 32.10 1f1u s PRO 13 CO 0.36 -1.05 1.14 0.34 0.04 0.00 0.00 177.00 177.82 1f1u s ASP 14 N -1.19 6.27 -0.11 6.66 -1.08 -1.26 -4.93 116.67 121.03 1f1u s ASP 14 Ca 0.71 -0.38 -0.20 0.00 -0.52 0.00 0.00 52.55 52.16 1f1u s ASP 14 Cb -0.36 -2.51 -0.04 0.00 -1.46 0.00 0.00 42.92 38.55 1f1u s ASP 14 CO 0.42 -1.57 0.58 -0.63 0.52 0.00 0.00 175.17 174.49 1f1u s ILE 15 N 4.92 5.12 -0.16 4.11 1.01 -1.26 -1.22 121.20 133.71 1f1u s ILE 15 Ca 0.34 1.17 -0.20 0.00 0.00 0.00 0.00 60.65 61.96 1f1u s ILE 15 Cb -0.10 -3.92 -0.23 0.00 0.01 0.00 0.00 42.46 38.22 1f1u s ILE 15 CO 0.18 0.27 0.42 0.58 0.00 0.00 0.00 174.94 176.39 1f1u h VAL 16 N 4.78 1.07 -1.61 2.92 2.07 -1.10 -3.45 116.25 120.93 1f1u h VAL 16 Ca -0.40 -2.28 0.28 0.00 0.82 0.00 0.00 66.70 65.12 1f1u h VAL 16 Cb 1.18 2.58 -0.13 0.00 -1.52 0.00 0.00 31.29 33.40 1f1u h VAL 16 CO 0.76 0.52 0.76 0.00 0.02 0.00 0.00 177.57 179.63 1f1u s ARG 17 N -2.39 0.50 0.28 1.57 1.70 -1.19 -3.01 118.95 116.41 1f1u s ARG 17 Ca -0.24 -0.26 -0.30 0.00 -0.47 0.00 0.00 55.73 54.46 1f1u s ARG 17 Cb 0.04 0.18 -0.10 0.00 -0.57 0.00 0.00 34.95 34.50 1f1u s ARG 17 CO 0.67 -0.23 1.39 0.00 -1.08 0.00 0.00 175.30 176.05 1f1u n ALA 19 N 1.79 2.11 -3.65 0.00 0.00 0.21 -4.82 120.51 116.15 1f1u n ALA 19 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.39 1f1u n ALA 19 Cb 0.41 0.37 -0.02 0.00 0.00 0.00 0.00 19.45 20.21 1f1u n ALA 19 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1f1u s TYR 20 N -1.77 -0.34 -0.02 0.00 -0.85 -1.00 -4.36 117.35 109.00 1f1u s TYR 20 Ca 0.00 0.01 0.05 0.00 -0.52 0.00 0.00 57.07 56.61 1f1u s TYR 20 Cb 0.00 0.63 -0.01 0.00 0.38 0.00 0.00 41.96 42.97 1f1u s TYR 20 CO 0.00 -1.02 -0.16 1.41 -1.52 0.00 0.00 175.55 174.26 1f1u s MET 21 N -3.77 1.47 -0.32 -3.49 -2.45 -0.74 -1.09 119.30 108.91 1f1u s MET 21 Ca 0.07 -0.58 -0.10 0.00 -1.25 0.00 0.00 55.69 53.82 1f1u s MET 21 Cb -0.03 -1.36 -0.01 0.00 1.25 0.00 0.00 34.83 34.68 1f1u s MET 21 CO -0.02 0.31 0.17 -2.00 1.05 0.00 0.00 175.02 174.52 1f1u s GLU 22 N -0.21 3.31 -0.15 4.11 2.12 -0.52 -1.43 118.70 125.93 1f1u s GLU 22 Ca 0.03 -0.74 -0.02 0.00 0.36 0.00 0.00 54.97 54.60 1f1u s GLU 22 Cb -0.08 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.67 1f1u s GLU 22 CO 0.00 -0.45 -0.09 0.42 -0.54 0.00 0.00 175.26 174.60 1f1u s ILE 23 N 1.62 3.34 -0.12 -3.70 1.01 0.41 -0.35 121.20 123.42 1f1u s ILE 23 Ca 0.05 -0.55 -0.18 0.00 0.00 0.00 0.00 60.65 59.97 1f1u s ILE 23 Cb -0.17 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 1f1u s ILE 23 CO 0.07 0.51 0.46 -0.69 0.00 0.00 0.00 174.94 175.29 1f1u s VAL 24 N 0.44 5.19 0.16 2.92 1.01 0.89 -1.08 120.40 129.94 1f1u s VAL 24 Ca -0.07 0.92 0.11 0.00 0.00 0.00 0.00 61.98 62.93 1f1u s VAL 24 Cb -0.15 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1f1u s VAL 24 CO 0.04 0.34 -0.24 0.68 0.00 0.00 0.00 175.10 175.92 1f1u s VAL 25 N 0.56 2.23 -0.19 2.92 -7.23 -0.20 -2.44 120.40 116.06 1f1u s VAL 25 Ca 0.25 -1.90 0.19 0.00 -1.81 0.00 0.00 61.98 58.71 1f1u s VAL 25 Cb -0.15 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.75 1f1u s VAL 25 CO 0.10 -0.06 1.05 0.71 -0.31 0.00 0.00 175.10 176.58 1f1u h THR 26 N 3.48 0.34 -2.85 5.32 1.35 -1.87 -0.84 112.91 117.85 1f1u h THR 26 Ca -0.47 -1.61 -0.56 0.00 -0.55 0.00 0.00 66.41 63.21 1f1u h THR 26 Cb 1.19 1.90 -0.40 0.00 -1.73 0.00 0.00 68.15 69.12 1f1u h THR 26 CO 0.45 0.19 -0.79 -0.62 -0.25 0.00 0.00 175.52 174.50 1f1u s ASP 27 N -5.77 3.53 0.24 5.36 -1.08 -1.26 -4.73 116.67 112.96 1f1u s ASP 27 Ca -0.00 -1.74 -0.05 0.00 -0.52 0.00 0.00 52.55 50.23 1f1u s ASP 27 Cb 0.09 -0.56 0.33 0.00 -1.46 0.00 0.00 42.92 41.32 1f1u s ASP 27 CO 0.78 -0.38 1.86 0.25 0.52 0.00 0.00 175.17 178.20 1f1u h LEU 28 N 7.80 0.86 -0.74 -1.34 5.85 -1.94 -0.84 115.31 124.95 1f1u h LEU 28 Ca -0.10 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1f1u h LEU 28 Cb 0.99 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 1f1u h LEU 28 CO 0.41 0.55 0.36 0.00 -0.34 0.00 0.00 178.44 179.42 1f1u h ALA 29 N 1.41 0.96 -0.30 1.25 0.00 -1.96 0.17 119.26 120.78 1f1u h ALA 29 Ca 0.38 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1f1u h ALA 29 Cb 0.16 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1f1u h ALA 29 CO -0.17 0.52 -0.26 0.87 0.00 0.00 0.00 179.25 180.21 1f1u h LYS 30 N 1.04 0.60 -0.44 0.00 1.79 -1.77 -2.09 116.57 115.70 1f1u h LYS 30 Ca 0.25 -0.24 -0.12 0.00 -2.18 0.00 0.00 60.65 58.37 1f1u h LYS 30 Cb 0.12 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1f1u h LYS 30 CO -0.03 0.80 -0.20 0.77 -1.08 0.00 0.00 179.45 179.71 1f1u h SER 31 N 0.52 0.88 -0.73 0.86 0.02 -0.74 -2.76 113.55 111.59 1f1u h SER 31 Ca 0.07 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 1f1u h SER 31 Cb 0.72 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 1f1u h SER 31 CO 0.06 1.05 0.33 -0.09 -1.14 0.00 0.00 176.83 177.04 1f1u h ARG 32 N 0.76 1.09 -0.73 3.45 2.43 -0.39 -0.75 114.38 120.23 1f1u h ARG 32 Ca 0.11 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1f1u h ARG 32 Cb 0.73 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 1f1u h ARG 32 CO 0.06 0.86 0.40 1.49 -1.51 0.00 0.00 179.97 181.27 1f1u h GLU 33 N 1.07 1.00 0.10 0.20 4.81 -1.11 0.12 114.58 120.77 1f1u h GLU 33 Ca 0.26 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1f1u h GLU 33 Cb 0.15 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1f1u h GLU 33 CO -0.03 0.73 -0.05 0.35 -0.73 0.00 0.00 179.01 179.28 1f1u h PHE 34 N 1.01 -0.12 0.00 0.92 3.57 -1.11 0.12 116.94 121.33 1f1u h PHE 34 Ca 0.26 -0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.57 1f1u h PHE 34 Cb 0.01 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1f1u h PHE 34 CO 0.01 0.38 -0.86 1.88 -2.23 0.00 0.00 178.31 177.49 1f1u h TYR 35 N -0.73 0.17 0.00 0.41 0.05 -1.07 -0.85 116.97 114.94 1f1u h TYR 35 Ca -0.01 -0.10 -0.28 0.00 0.05 0.00 0.00 58.73 58.39 1f1u h TYR 35 Cb 0.56 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.24 1f1u h TYR 35 CO 0.10 0.91 -1.93 0.28 -1.05 0.00 0.00 178.16 176.47 1f1u n VAL 36 N -3.62 1.51 -0.03 -2.88 0.31 0.42 -1.82 118.33 112.23 1f1u n VAL 36 Ca -0.02 -0.18 -0.16 0.00 -0.01 0.00 0.00 64.34 63.96 1f1u n VAL 36 Cb 0.80 -2.07 -0.08 0.00 -0.91 0.00 0.00 33.84 31.59 1f1u n VAL 36 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1f1u h ASP 37 N -1.00 0.75 0.03 4.52 3.32 -1.28 -0.22 116.42 122.54 1f1u h ASP 37 Ca -0.42 -0.63 -0.00 0.00 0.02 0.00 0.00 57.03 55.99 1f1u h ASP 37 Cb 1.37 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1f1u h ASP 37 CO -0.26 1.26 -0.01 0.58 -1.72 0.00 0.00 179.24 179.09 1f1u h VAL 38 N 0.29 1.00 0.00 -1.35 2.07 -0.88 -3.39 116.25 113.99 1f1u h VAL 38 Ca -0.04 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.82 1f1u h VAL 38 Cb 1.24 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1f1u h VAL 38 CO 0.13 0.33 -0.44 -0.07 0.02 0.00 0.00 177.57 177.53 1f1u h LEU 39 N -0.97 0.00 0.00 2.57 3.38 -1.25 -3.48 115.31 115.55 1f1u h LEU 39 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1f1u h LEU 39 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1f1u h LEU 39 CO 0.01 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.17 1f1u n GLY 40 N 1.22 0.49 3.74 0.83 0.00 -0.09 -4.58 105.19 106.79 1f1u n GLY 40 Ca 0.03 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 1f1u n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f1u s LEU 41 N 0.00 3.39 -0.12 0.99 1.43 -0.76 -4.88 118.68 118.73 1f1u s LEU 41 Ca 0.00 2.29 -0.15 0.00 -1.03 0.00 0.00 54.13 55.23 1f1u s LEU 41 Cb 0.00 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.59 1f1u s LEU 41 CO 0.00 -2.02 0.37 -1.00 0.23 0.00 0.00 176.35 173.94 1f1u s HIS 42 N -1.99 3.52 -0.27 0.29 3.76 -0.49 -4.65 115.29 115.45 1f1u s HIS 42 Ca 0.73 0.76 -0.29 0.00 -0.15 0.00 0.00 55.06 56.11 1f1u s HIS 42 Cb -0.28 -2.40 0.01 0.00 1.11 0.00 0.00 32.58 31.02 1f1u s HIS 42 CO 0.42 0.28 1.17 0.08 -0.85 0.00 0.00 174.74 175.84 1f1u s VAL 43 N 0.28 4.39 -0.09 -0.90 1.01 -1.26 -0.48 120.40 123.34 1f1u s VAL 43 Ca 0.21 1.62 -0.24 0.00 0.00 0.00 0.00 61.98 63.56 1f1u s VAL 43 Cb -0.14 -4.24 -0.20 0.00 0.00 0.00 0.00 36.38 31.79 1f1u s VAL 43 CO 0.08 -0.37 0.86 0.74 0.00 0.00 0.00 175.10 176.41 1f1u h THR 44 N 5.71 1.34 -2.60 3.92 2.02 -0.89 -3.48 112.91 118.93 1f1u h THR 44 Ca -0.23 -1.66 0.09 0.00 0.77 0.00 0.00 66.41 65.38 1f1u h THR 44 Cb 1.08 2.38 -0.11 0.00 -1.74 0.00 0.00 68.15 69.76 1f1u h THR 44 CO 1.01 0.40 0.38 -1.83 0.37 0.00 0.00 175.52 175.85 1f1u s GLU 45 N -2.96 1.20 0.13 6.66 -1.05 -1.21 -5.04 118.70 116.43 1f1u s GLU 45 Ca -0.15 -0.56 -0.24 0.00 -0.15 0.00 0.00 54.97 53.86 1f1u s GLU 45 Cb -0.01 0.48 0.08 0.00 -0.44 0.00 0.00 34.13 34.24 1f1u s GLU 45 CO 0.59 -0.54 0.65 -1.83 0.95 0.00 0.00 175.26 175.08 1f1u s GLU 46 N -3.46 1.19 0.02 -4.83 -1.05 -1.26 -1.02 118.70 108.29 1f1u s GLU 46 Ca 0.07 -0.44 0.00 0.00 -0.15 0.00 0.00 54.97 54.46 1f1u s GLU 46 Cb -0.02 0.55 -0.00 0.00 -0.44 0.00 0.00 34.13 34.22 1f1u s GLU 46 CO -0.04 -0.52 0.02 -0.40 0.95 0.00 0.00 175.26 175.27 1f1u n ASP 47 N -0.35 -0.05 0.29 0.83 5.68 0.09 -5.01 116.55 118.01 1f1u n ASP 47 Ca -0.15 -1.11 0.15 0.00 -0.50 0.00 0.00 54.79 53.18 1f1u n ASP 47 Cb 0.64 0.11 0.91 0.00 -1.14 0.00 0.00 41.12 41.64 1f1u n ASP 47 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1f1u h GLU 48 N 0.00 0.00 -0.00 0.11 5.08 -2.02 -3.16 114.58 114.59 1f1u h GLU 48 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1f1u h GLU 48 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1f1u h GLU 48 CO 0.02 0.00 -0.06 0.09 -1.00 0.00 0.00 179.01 178.06 1f1u n ASN 49 N -3.84 0.63 -3.74 1.42 3.02 -1.26 -4.97 115.26 106.52 1f1u n ASN 49 Ca -0.02 -0.81 -0.13 0.00 -0.03 0.00 0.00 54.58 53.58 1f1u n ASN 49 Cb 0.12 0.54 -0.10 0.00 -0.61 0.00 0.00 39.78 39.72 1f1u n ASN 49 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1f1u s THR 50 N -0.77 0.00 -0.05 3.41 2.01 -1.19 -1.28 115.64 117.77 1f1u s THR 50 Ca 0.02 -0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.02 1f1u s THR 50 Cb 0.02 -0.53 0.01 0.00 0.01 0.00 0.00 72.50 72.01 1f1u s THR 50 CO 0.07 -0.01 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.24 1f1u s ILE 51 N 0.12 1.07 -0.22 1.82 1.01 0.18 -0.74 121.20 124.45 1f1u s ILE 51 Ca -0.01 -0.46 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 1f1u s ILE 51 Cb -0.03 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 1f1u s ILE 51 CO 0.01 0.33 -0.04 -0.31 0.00 0.00 0.00 174.94 174.93 1f1u s TYR 52 N 0.51 2.96 0.11 3.97 1.51 -0.19 -0.42 117.35 125.80 1f1u s TYR 52 Ca -0.11 -0.88 0.11 0.00 -1.01 0.00 0.00 57.07 55.18 1f1u s TYR 52 Cb -0.14 -2.10 -0.04 0.00 -0.11 0.00 0.00 41.96 39.57 1f1u s TYR 52 CO 0.03 -0.51 -0.27 -0.51 -1.11 0.00 0.00 175.55 173.18 1f1u s LEU 53 N 1.42 2.28 0.05 -1.29 1.43 0.23 -0.21 118.68 122.59 1f1u s LEU 53 Ca 0.05 -0.71 -0.01 0.00 -1.03 0.00 0.00 54.13 52.43 1f1u s LEU 53 Cb -0.14 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 1f1u s LEU 53 CO -0.02 0.20 -0.02 0.00 0.23 0.00 0.00 176.35 176.74 1f1u s ARG 54 N -1.85 0.58 0.77 1.70 1.70 0.36 -0.00 118.95 122.22 1f1u s ARG 54 Ca 0.13 -1.13 -0.10 0.00 -0.47 0.00 0.00 55.73 54.17 1f1u s ARG 54 Cb -0.10 0.20 0.07 0.00 -0.57 0.00 0.00 34.95 34.56 1f1u s ARG 54 CO 0.05 -0.11 1.12 -1.54 -1.08 0.00 0.00 175.30 173.74 1f1u s SER 55 N -2.72 4.62 0.25 -2.89 1.04 -1.26 -1.40 113.70 111.33 1f1u s SER 55 Ca 0.04 0.68 -0.05 0.00 0.48 0.00 0.00 55.95 57.10 1f1u s SER 55 Cb 0.06 -1.23 0.34 0.00 0.10 0.00 0.00 66.02 65.28 1f1u s SER 55 CO -0.09 -1.80 1.86 0.25 0.98 0.00 0.00 173.24 174.45 1f1u h LEU 56 N -0.90 0.90 -3.37 2.42 5.85 -1.34 -2.68 115.31 116.19 1f1u h LEU 56 Ca -0.45 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1f1u h LEU 56 Cb 1.32 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1f1u h LEU 56 CO 0.64 0.58 0.00 -0.62 -0.34 0.00 0.00 178.44 178.70 1f1u n GLU 57 N -4.58 4.53 -3.30 1.25 1.02 -0.24 -1.86 120.64 117.46 1f1u n GLU 57 Ca 0.13 -2.99 -0.37 0.00 -0.02 0.00 0.00 57.16 53.90 1f1u n GLU 57 Cb 0.16 -2.17 -0.06 0.00 -0.02 0.00 0.00 31.44 29.36 1f1u n GLU 57 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1f1u s GLU 58 N -2.51 4.12 -0.00 3.49 2.56 -1.01 -4.85 118.70 120.50 1f1u s GLU 58 Ca 0.52 0.65 0.05 0.00 0.00 0.00 0.00 54.97 56.20 1f1u s GLU 58 Cb 0.38 -3.13 -0.07 0.00 2.00 0.00 0.00 34.13 33.31 1f1u s GLU 58 CO 0.17 0.58 0.15 1.97 -0.56 0.00 0.00 175.26 177.58 1f1u n PHE 59 N 1.40 0.00 -1.41 5.30 -1.74 -1.26 -4.30 117.46 115.46 1f1u n PHE 59 Ca -0.09 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.51 1f1u n PHE 59 Cb 0.51 -0.08 0.17 0.00 1.52 0.00 0.00 39.48 41.60 1f1u n PHE 59 CO 0.00 0.00 0.00 0.96 -0.56 0.00 0.00 176.76 177.16 1f1u s ILE 60 N -2.06 1.94 0.24 1.97 -4.36 -1.26 -1.16 121.20 116.50 1f1u s ILE 60 Ca -0.01 0.00 -0.06 0.00 -0.26 0.00 0.00 60.65 60.32 1f1u s ILE 60 Cb 0.04 -2.67 0.25 0.00 1.25 0.00 0.00 42.46 41.32 1f1u s ILE 60 CO 0.21 0.00 1.91 -0.74 0.24 0.00 0.00 174.94 176.57 1f1u h HIS 61 N -1.79 1.25 -2.73 1.37 -0.00 -1.68 -3.42 115.15 108.15 1f1u h HIS 61 Ca -0.50 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 59.93 1f1u h HIS 61 Cb 1.32 -0.42 -0.12 0.00 -0.00 0.00 0.00 27.41 28.19 1f1u h HIS 61 CO -0.23 0.80 0.32 -3.38 -0.00 0.00 0.00 177.93 175.44 1f1u s HIS 62 N -6.07 -0.41 -0.03 5.26 0.00 -1.26 -4.74 115.29 108.03 1f1u s HIS 62 Ca -0.13 0.19 0.09 0.00 -3.00 0.00 0.00 55.06 52.21 1f1u s HIS 62 Cb 0.18 0.58 -0.14 0.00 -4.00 0.00 0.00 32.58 29.20 1f1u s HIS 62 CO 0.82 -0.80 0.20 0.09 -1.00 0.00 0.00 174.74 174.06 1f1u n ASN 63 N -0.35 2.84 -3.84 7.38 5.03 0.99 -4.61 115.26 122.71 1f1u n ASN 63 Ca -0.12 -0.03 -0.13 0.00 0.87 0.00 0.00 54.58 55.17 1f1u n ASN 63 Cb 0.63 1.39 -0.14 0.00 -1.02 0.00 0.00 39.78 40.64 1f1u n ASN 63 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1f1u s LEU 64 N -3.56 1.63 -0.17 3.41 1.43 -0.75 -1.78 118.68 118.89 1f1u s LEU 64 Ca -0.03 0.13 -0.00 0.00 -1.03 0.00 0.00 54.13 53.20 1f1u s LEU 64 Cb 0.06 0.20 0.00 0.00 0.03 0.00 0.00 46.19 46.47 1f1u s LEU 64 CO 0.37 -0.04 -0.15 -0.69 0.23 0.00 0.00 176.35 176.07 1f1u s VAL 65 N 0.21 2.63 -0.25 -1.59 1.01 -0.52 -0.60 120.40 121.30 1f1u s VAL 65 Ca -0.01 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 1f1u s VAL 65 Cb -0.02 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1f1u s VAL 65 CO -0.01 0.51 0.12 -0.76 0.00 0.00 0.00 175.10 174.96 1f1u s LEU 66 N 0.98 3.79 -0.12 3.92 1.43 0.44 -0.45 118.68 128.67 1f1u s LEU 66 Ca -0.02 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 1f1u s LEU 66 Cb -0.15 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.06 1f1u s LEU 66 CO -0.03 0.01 -0.19 -0.60 0.23 0.00 0.00 176.35 175.77 1f1u s ARG 67 N 1.37 2.68 0.29 1.70 3.52 -0.24 -0.64 118.95 127.62 1f1u s ARG 67 Ca 0.06 -0.73 -0.29 0.00 -0.13 0.00 0.00 55.73 54.64 1f1u s ARG 67 Cb -0.15 -2.19 -0.10 0.00 -1.56 0.00 0.00 34.95 30.95 1f1u s ARG 67 CO 0.06 -0.02 1.36 -1.14 -0.81 0.00 0.00 175.30 174.75 1f1u s GLN 68 N 0.84 4.31 0.23 5.12 2.00 -0.41 -1.03 119.66 130.73 1f1u s GLN 68 Ca -0.08 2.25 -0.22 0.00 -2.00 0.00 0.00 55.36 55.31 1f1u s GLN 68 Cb -0.15 -3.09 0.04 0.00 0.80 0.00 0.00 33.01 30.61 1f1u s GLN 68 CO -0.01 -0.30 0.85 0.20 -0.50 0.00 0.00 175.29 175.53 1f1u s GLY 69 N -0.09 -0.09 0.22 2.59 0.00 -0.32 -4.85 107.32 104.78 1f1u s GLY 69 Ca 0.54 -0.18 0.02 0.00 0.00 0.00 0.00 44.72 45.10 1f1u s GLY 69 CO 0.49 0.08 1.53 -0.56 0.00 0.00 0.00 173.10 174.64 1f1u h PRO 70 N 2.00 0.33 -4.83 2.90 0.13 -1.93 -3.36 132.00 127.23 1f1u h PRO 70 Ca -0.23 -0.23 -0.62 0.00 -0.87 0.00 0.00 66.00 64.06 1f1u h PRO 70 Cb 1.24 0.04 -0.35 0.00 0.13 0.00 0.00 31.00 32.06 1f1u h PRO 70 CO 0.26 0.84 -0.84 0.42 -0.23 0.00 0.00 178.00 178.45 1f1u s ILE 71 N -3.78 1.68 0.16 -3.56 1.01 -1.26 -4.94 121.20 110.50 1f1u s ILE 71 Ca -0.05 -0.73 -0.31 0.00 0.00 0.00 0.00 60.65 59.55 1f1u s ILE 71 Cb 0.12 -1.54 -0.10 0.00 0.01 0.00 0.00 42.46 40.95 1f1u s ILE 71 CO 0.81 0.48 1.55 0.00 0.00 0.00 0.00 174.94 177.78 1f1u s ALA 72 N 1.15 3.75 0.01 9.38 0.00 -1.26 -4.77 121.76 130.02 1f1u s ALA 72 Ca -0.02 1.34 -0.30 0.00 0.00 0.00 0.00 51.96 52.98 1f1u s ALA 72 Cb -0.14 -3.61 0.11 0.00 0.00 0.00 0.00 23.12 19.48 1f1u s ALA 72 CO -0.06 -0.76 1.23 0.00 0.00 0.00 0.00 175.76 176.17 1f1u s ALA 73 N 1.17 -2.14 -0.25 0.00 0.00 -1.02 -4.53 121.76 114.98 1f1u s ALA 73 Ca 0.69 0.62 -0.10 0.00 0.00 0.00 0.00 51.96 53.17 1f1u s ALA 73 Cb -0.43 0.40 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 1f1u s ALA 73 CO 0.31 -1.04 0.16 0.08 0.00 0.00 0.00 175.76 175.27 1f1u s VAL 74 N -2.56 5.28 0.05 0.00 1.01 0.74 -0.08 120.40 124.84 1f1u s VAL 74 Ca 0.14 0.15 0.09 0.00 0.00 0.00 0.00 61.98 62.36 1f1u s VAL 74 Cb 0.04 -3.48 -0.21 0.00 0.00 0.00 0.00 36.38 32.73 1f1u s VAL 74 CO -0.03 0.31 1.07 0.00 0.00 0.00 0.00 175.10 176.46 1f1u h ALA 75 N 7.82 0.51 -1.88 5.51 0.00 -1.02 0.31 119.26 130.51 1f1u h ALA 75 Ca -0.37 -1.08 -0.01 0.00 0.00 0.00 0.00 54.91 53.45 1f1u h ALA 75 Cb 1.18 0.07 -0.21 0.00 0.00 0.00 0.00 17.79 18.82 1f1u h ALA 75 CO 0.62 1.34 0.26 0.00 0.00 0.00 0.00 179.25 181.46 1f1u s ALA 76 N -2.69 -1.83 -0.28 0.00 0.00 -1.17 -4.74 121.76 111.05 1f1u s ALA 76 Ca -0.01 1.71 -0.05 0.00 0.00 0.00 0.00 51.96 53.61 1f1u s ALA 76 Cb 0.09 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.47 1f1u s ALA 76 CO 0.82 -0.33 0.03 -0.06 0.00 0.00 0.00 175.76 176.22 1f1u s PHE 77 N -0.37 3.14 -0.14 0.00 0.40 -0.08 -1.44 117.98 119.50 1f1u s PHE 77 Ca -0.03 -1.30 -0.03 0.00 -0.60 0.00 0.00 56.93 54.96 1f1u s PHE 77 Cb -0.03 -2.18 -0.03 0.00 0.51 0.00 0.00 43.02 41.30 1f1u s PHE 77 CO 0.03 -0.67 -0.03 0.00 0.70 0.00 0.00 175.22 175.25 1f1u s ALA 78 N 1.41 3.03 -0.05 5.36 0.00 -0.25 -0.89 121.76 130.37 1f1u s ALA 78 Ca 0.01 -0.82 0.05 0.00 0.00 0.00 0.00 51.96 51.19 1f1u s ALA 78 Cb -0.17 -1.54 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 1f1u s ALA 78 CO -0.00 0.27 -0.18 0.71 0.00 0.00 0.00 175.76 176.56 1f1u s TYR 79 N 0.19 2.61 -0.04 0.00 2.02 0.39 -0.62 117.35 121.89 1f1u s TYR 79 Ca -0.02 -0.28 -0.20 0.00 -0.37 0.00 0.00 57.07 56.20 1f1u s TYR 79 Cb -0.14 -1.61 -0.05 0.00 -0.40 0.00 0.00 41.96 39.76 1f1u s TYR 79 CO 0.03 0.09 0.56 0.50 -1.57 0.00 0.00 175.55 175.16 1f1u s ARG 80 N -0.60 4.30 0.45 -0.62 3.52 -0.57 -2.30 118.95 123.14 1f1u s ARG 80 Ca 0.09 0.65 0.08 0.00 -0.13 0.00 0.00 55.73 56.42 1f1u s ARG 80 Cb -0.11 -3.36 0.01 0.00 -1.56 0.00 0.00 34.95 29.92 1f1u s ARG 80 CO 0.01 0.31 0.49 0.14 -0.81 0.00 0.00 175.30 175.44 1f1u s VAL 81 N 0.03 2.56 -0.27 7.11 -7.23 0.05 -0.52 120.40 122.13 1f1u s VAL 81 Ca 0.30 -1.22 0.19 0.00 -1.81 0.00 0.00 61.98 59.43 1f1u s VAL 81 Cb -0.17 -2.78 0.19 0.00 0.56 0.00 0.00 36.38 34.17 1f1u s VAL 81 CO 0.15 0.00 1.53 0.50 -0.31 0.00 0.00 175.10 176.97 1f1u h LYS 82 N 0.78 0.00 -3.01 4.82 3.64 -1.49 -3.42 116.57 117.88 1f1u h LYS 82 Ca -0.39 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.05 1f1u h LYS 82 Cb 1.28 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.04 1f1u h LYS 82 CO 0.52 0.28 0.22 -1.54 -2.27 0.00 0.00 179.45 176.66 1f1u s SER 83 N -6.34 -0.29 0.29 4.20 1.04 -1.26 -5.02 113.70 106.31 1f1u s SER 83 Ca 0.05 -0.55 0.01 0.00 0.48 0.00 0.00 55.95 55.94 1f1u s SER 83 Cb 0.07 0.71 0.54 0.00 0.10 0.00 0.00 66.02 67.44 1f1u s SER 83 CO 0.71 -1.31 1.86 -0.65 0.98 0.00 0.00 173.24 174.83 1f1u h PRO 84 N 2.00 0.99 -0.18 4.02 0.11 -1.96 -0.11 132.00 136.87 1f1u h PRO 84 Ca -0.21 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 65.90 1f1u h PRO 84 Cb 1.26 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1f1u h PRO 84 CO 0.25 0.65 0.15 0.00 -0.21 0.00 0.00 178.00 178.84 1f1u h ALA 85 N 1.52 2.01 0.00 -0.75 0.00 -2.00 -1.04 119.26 119.01 1f1u h ALA 85 Ca 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1f1u h ALA 85 Cb 0.40 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1f1u h ALA 85 CO -0.22 -0.24 0.00 0.93 0.00 0.00 0.00 179.25 179.72 1f1u h GLU 86 N 0.00 0.00 -0.34 0.00 4.39 -1.39 -1.41 114.58 115.82 1f1u h GLU 86 Ca 0.08 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.68 1f1u h GLU 86 Cb 0.38 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1f1u h GLU 86 CO -0.00 0.00 -0.20 0.28 -1.16 0.00 0.00 179.01 177.93 1f1u h VAL 87 N 0.00 1.29 -0.85 3.13 2.07 -1.25 -0.04 116.25 120.60 1f1u h VAL 87 Ca 0.00 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 1f1u h VAL 87 Cb 0.64 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1f1u h VAL 87 CO 0.00 0.43 0.47 0.44 0.02 0.00 0.00 177.57 178.93 1f1u h ASP 88 N 0.51 1.05 -0.79 0.57 3.32 -1.42 -1.80 116.42 117.86 1f1u h ASP 88 Ca 0.07 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1f1u h ASP 88 Cb 0.75 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 1f1u h ASP 88 CO 0.06 0.84 0.31 0.00 -1.72 0.00 0.00 179.24 178.73 1f1u h ALA 89 N 1.25 1.03 -0.36 3.45 0.00 -1.09 -0.57 119.26 122.98 1f1u h ALA 89 Ca 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1f1u h ALA 89 Cb 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1f1u h ALA 89 CO -0.05 0.67 0.18 0.00 0.00 0.00 0.00 179.25 180.05 1f1u h ALA 90 N 1.16 0.46 -0.49 0.00 0.00 -0.50 -1.09 119.26 118.80 1f1u h ALA 90 Ca 0.26 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1f1u h ALA 90 Cb 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1f1u h ALA 90 CO -0.02 0.01 0.31 1.49 0.00 0.00 0.00 179.25 181.04 1f1u h GLU 91 N 0.44 0.61 -0.49 0.00 4.81 -1.02 -1.89 114.58 117.04 1f1u h GLU 91 Ca 0.12 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 1f1u h GLU 91 Cb 0.10 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1f1u h GLU 91 CO -0.02 0.40 -0.02 0.00 -0.73 0.00 0.00 179.01 178.65 1f1u h ALA 92 N 1.20 1.06 0.22 2.92 0.00 -0.88 -0.96 119.26 122.83 1f1u h ALA 92 Ca 0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1f1u h ALA 92 Cb -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1f1u h ALA 92 CO -0.06 0.59 -0.11 -0.92 0.00 0.00 0.00 179.25 178.75 1f1u h TYR 93 N 0.76 -0.28 -0.13 0.00 3.20 -0.90 -1.12 116.97 118.49 1f1u h TYR 93 Ca 0.14 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.91 1f1u h TYR 93 Cb 0.48 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1f1u h TYR 93 CO 0.03 -0.03 -0.36 1.88 -1.64 0.00 0.00 178.16 178.05 1f1u h TYR 94 N -0.51 0.32 -0.54 -3.82 0.05 -1.30 -2.27 116.97 108.91 1f1u h TYR 94 Ca -0.03 -0.08 -0.05 0.00 0.05 0.00 0.00 58.73 58.62 1f1u h TYR 94 Cb 0.38 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 1f1u h TYR 94 CO -0.00 0.60 0.12 0.87 -1.05 0.00 0.00 178.16 178.70 1f1u h LYS 95 N 0.24 0.84 -0.05 4.88 1.57 -1.10 -1.56 116.57 121.39 1f1u h LYS 95 Ca 0.03 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 1f1u h LYS 95 Cb 0.74 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1f1u h LYS 95 CO 0.06 0.76 -0.30 1.49 -0.57 0.00 0.00 179.45 180.89 1f1u h GLU 96 N 0.81 0.08 0.00 3.15 4.81 -0.75 0.06 114.58 122.74 1f1u h GLU 96 Ca 0.18 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1f1u h GLU 96 Cb 0.31 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1f1u h GLU 96 CO 0.00 0.38 0.00 1.28 -0.73 0.00 0.00 179.01 179.94 1f1u n LEU 97 N -4.16 0.00 -0.44 1.64 4.77 -0.89 -4.88 117.00 113.05 1f1u n LEU 97 Ca -0.02 0.03 -0.05 0.00 -0.03 0.00 0.00 56.01 55.94 1f1u n LEU 97 Cb 0.36 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1f1u n LEU 97 CO 0.39 -0.01 -0.05 0.61 -1.33 0.00 0.00 177.39 177.00 1f1u n GLY 98 N 0.68 0.69 3.88 -0.72 0.00 0.01 -5.02 105.19 104.71 1f1u n GLY 98 Ca 0.19 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 1f1u n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f1u s ARG 100 N -2.86 4.29 0.13 0.00 3.52 -1.26 -4.51 118.95 118.27 1f1u s ARG 100 Ca 0.46 2.21 0.07 0.00 -0.13 0.00 0.00 55.73 58.34 1f1u s ARG 100 Cb -0.11 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 1f1u s ARG 100 CO 0.22 -0.42 -0.15 0.95 -0.81 0.00 0.00 175.30 175.09 1f1u s THR 101 N 0.48 1.46 -0.06 4.11 -4.23 -1.26 -1.61 115.64 114.54 1f1u s THR 101 Ca 0.62 -1.77 -0.02 0.00 -1.18 0.00 0.00 61.69 59.34 1f1u s THR 101 Cb -0.40 -1.61 0.04 0.00 1.34 0.00 0.00 72.50 71.86 1f1u s THR 101 CO 0.37 -0.38 0.12 -0.70 -0.54 0.00 0.00 174.62 173.49 1f1u s GLU 102 N -2.69 0.06 -0.13 3.99 2.12 0.26 -4.99 118.70 117.32 1f1u s GLU 102 Ca 0.11 0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.78 1f1u s GLU 102 Cb -0.05 -0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.12 1f1u s GLU 102 CO 0.04 -0.18 -0.14 0.50 -0.54 0.00 0.00 175.26 174.94 1f1u s ARG 103 N 1.26 3.37 -0.21 4.30 6.06 -1.26 -0.62 118.95 131.84 1f1u s ARG 103 Ca -0.08 -0.70 -0.00 0.00 -2.50 0.00 0.00 55.73 52.45 1f1u s ARG 103 Cb -0.12 -2.62 0.06 0.00 0.06 0.00 0.00 34.95 32.33 1f1u s ARG 103 CO -0.05 0.21 -0.04 1.03 -2.50 0.00 0.00 175.30 173.95 1f1u s ARG 104 N 0.36 1.38 0.53 5.12 0.52 -0.24 -5.00 118.95 121.62 1f1u s ARG 104 Ca -0.11 -0.76 0.21 0.00 -0.52 0.00 0.00 55.73 54.55 1f1u s ARG 104 Cb -0.16 -2.35 1.34 0.00 0.52 0.00 0.00 34.95 34.30 1f1u s ARG 104 CO 0.06 -0.57 2.06 0.87 0.02 0.00 0.00 175.30 177.74 1f1u h LYS 105 N 8.05 0.00 -0.58 3.54 1.79 -1.89 -1.45 116.57 126.03 1f1u h LYS 105 Ca -0.19 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 1f1u h LYS 105 Cb 1.09 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1f1u h LYS 105 CO 0.40 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 179.16 1f1u n GLU 106 N -4.45 3.27 0.00 3.15 -0.58 -1.26 -2.25 120.64 118.52 1f1u n GLU 106 Ca 0.04 -2.68 0.00 0.00 -0.42 0.00 0.00 57.16 54.10 1f1u n GLU 106 Cb 0.39 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 1f1u n GLU 106 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1f1u n GLY 107 N 1.01 -1.04 0.03 0.62 0.00 -0.66 -4.68 105.19 100.46 1f1u n GLY 107 Ca 0.23 -1.63 0.05 0.00 0.00 0.00 0.00 46.02 44.67 1f1u n GLY 107 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1f1u n PHE 108 N -1.05 0.00 -4.24 1.61 3.01 -1.26 -4.91 117.46 110.62 1f1u n PHE 108 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.25 1f1u n PHE 108 Cb 0.00 -0.50 -0.12 0.00 -0.01 0.00 0.00 39.48 38.85 1f1u n PHE 108 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1f1u s THR 109 N -3.03 1.46 0.52 4.37 -4.23 -1.26 -5.11 115.64 108.36 1f1u s THR 109 Ca -0.07 -1.53 -0.22 0.00 -1.18 0.00 0.00 61.69 58.69 1f1u s THR 109 Cb 0.10 -1.42 -0.06 0.00 1.34 0.00 0.00 72.50 72.46 1f1u s THR 109 CO 0.72 -0.20 1.31 -0.75 -0.54 0.00 0.00 174.62 175.17 1f1u s LYS 110 N -2.07 3.33 0.00 3.99 2.20 -1.26 -2.17 119.74 123.76 1f1u s LYS 110 Ca 0.05 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.79 1f1u s LYS 110 Cb -0.09 -2.32 0.00 0.00 -1.51 0.00 0.00 37.83 33.91 1f1u s LYS 110 CO 0.04 -1.01 0.00 0.41 -0.36 0.00 0.00 175.35 174.43 1f1u n GLY 111 N 0.65 0.89 3.29 5.54 0.00 -1.26 -4.93 105.19 109.37 1f1u n GLY 111 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1f1u n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f1u s ILE 112 N -3.54 1.96 0.00 -0.61 -1.09 -0.92 -0.98 121.20 116.01 1f1u s ILE 112 Ca 0.00 -1.06 0.00 0.00 -2.23 0.00 0.00 60.65 57.36 1f1u s ILE 112 Cb 0.00 -1.63 0.00 0.00 -1.58 0.00 0.00 42.46 39.25 1f1u s ILE 112 CO 0.00 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 1f1u n GLY 113 N 2.49 1.46 3.70 6.18 0.00 -0.02 -3.96 105.19 115.03 1f1u n GLY 113 Ca -0.16 -1.59 -0.54 0.00 0.00 0.00 0.00 46.02 43.74 1f1u n GLY 113 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1f1u n ASP 114 N 0.00 2.79 -3.97 1.61 2.03 -0.95 -2.64 116.55 115.41 1f1u n ASP 114 Ca 0.00 1.04 -0.12 0.00 0.52 0.00 0.00 54.79 56.23 1f1u n ASP 114 Cb 0.00 -1.23 -0.12 0.00 -0.72 0.00 0.00 41.12 39.04 1f1u n ASP 114 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1f1u s SER 115 N 3.61 0.42 -0.09 1.67 0.01 -0.64 -4.01 113.70 114.68 1f1u s SER 115 Ca 0.95 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.92 1f1u s SER 115 Cb -0.92 0.03 -0.01 0.00 0.21 0.00 0.00 66.02 65.33 1f1u s SER 115 CO 0.59 -0.14 -0.20 0.54 0.41 0.00 0.00 173.24 174.44 1f1u s VAL 116 N -0.88 2.45 0.08 3.43 0.11 -0.68 -1.08 120.40 123.82 1f1u s VAL 116 Ca -0.08 -0.90 0.05 0.00 -2.93 0.00 0.00 61.98 58.12 1f1u s VAL 116 Cb -0.06 -1.96 -0.04 0.00 -1.53 0.00 0.00 36.38 32.79 1f1u s VAL 116 CO -0.00 0.56 -0.03 -0.13 -3.33 0.00 0.00 175.10 172.16 1f1u s ARG 117 N 0.11 2.48 0.02 1.54 0.52 0.21 -0.93 118.95 122.89 1f1u s ARG 117 Ca -0.10 -0.85 -0.03 0.00 -0.52 0.00 0.00 55.73 54.24 1f1u s ARG 117 Cb -0.16 -2.50 -0.01 0.00 0.52 0.00 0.00 34.95 32.80 1f1u s ARG 117 CO 0.06 0.55 0.03 0.14 0.02 0.00 0.00 175.30 176.10 1f1u s VAL 118 N -1.24 0.11 -0.52 3.52 -7.23 0.10 -0.57 120.40 114.57 1f1u s VAL 118 Ca 0.23 -0.89 -0.20 0.00 -1.81 0.00 0.00 61.98 59.32 1f1u s VAL 118 Cb -0.11 -0.41 0.06 0.00 0.56 0.00 0.00 36.38 36.47 1f1u s VAL 118 CO 0.16 -0.49 0.67 -1.61 -0.31 0.00 0.00 175.10 173.52 1f1u s GLU 119 N -1.62 3.13 1.01 4.82 2.02 -0.63 -1.49 118.70 125.95 1f1u s GLU 119 Ca -0.14 -0.87 -0.14 0.00 0.02 0.00 0.00 54.97 53.84 1f1u s GLU 119 Cb -0.08 -4.11 0.19 0.00 0.10 0.00 0.00 34.13 30.23 1f1u s GLU 119 CO -0.01 -1.28 1.13 0.16 0.02 0.00 0.00 175.26 175.28 1f1u s ASP 120 N 2.80 2.65 0.67 -0.19 -4.77 -0.07 -4.20 116.67 113.55 1f1u s ASP 120 Ca 0.16 0.89 0.40 0.00 -3.30 0.00 0.00 52.55 50.71 1f1u s ASP 120 Cb -0.19 -1.38 2.18 0.00 -1.09 0.00 0.00 42.92 42.44 1f1u s ASP 120 CO 0.12 -3.08 2.23 -0.65 0.70 0.00 0.00 175.17 174.48 1f1u h PRO 121 N -1.86 0.00 -0.43 2.11 0.11 -1.97 0.62 132.00 130.58 1f1u h PRO 121 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1f1u h PRO 121 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1f1u h PRO 121 CO 0.53 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.60 1f1u n LEU 122 N -3.01 3.54 0.00 2.35 4.77 -1.26 -4.96 117.00 118.44 1f1u n LEU 122 Ca -0.03 -1.56 0.00 0.00 -0.03 0.00 0.00 56.01 54.40 1f1u n LEU 122 Cb 0.17 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1f1u n LEU 122 CO 0.18 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 1f1u n GLY 123 N 1.53 0.70 3.88 -0.72 0.00 0.21 -4.30 105.19 106.48 1f1u n GLY 123 Ca 0.20 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1f1u n GLY 123 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f1u s PHE 124 N -2.00 3.56 -0.65 1.61 0.40 -1.26 -4.71 117.98 114.93 1f1u s PHE 124 Ca 0.00 0.71 -0.26 0.00 -0.60 0.00 0.00 56.93 56.78 1f1u s PHE 124 Cb 0.00 -2.10 0.04 0.00 0.51 0.00 0.00 43.02 41.47 1f1u s PHE 124 CO 0.00 0.52 1.13 -1.25 0.70 0.00 0.00 175.22 176.32 1f1u s PRO 125 N -2.02 3.27 -0.09 0.24 0.04 -1.26 -0.89 135.00 134.29 1f1u s PRO 125 Ca 0.33 -0.27 -0.04 0.00 0.04 0.00 0.00 61.00 61.06 1f1u s PRO 125 Cb -0.13 -4.13 -0.04 0.00 0.04 0.00 0.00 34.50 30.24 1f1u s PRO 125 CO 0.19 -1.86 0.06 0.71 0.04 0.00 0.00 177.00 176.14 1f1u s TYR 126 N 4.88 3.34 0.00 0.56 1.51 -0.55 -0.90 117.35 126.19 1f1u s TYR 126 Ca 0.33 0.33 0.08 0.00 -1.01 0.00 0.00 57.07 56.80 1f1u s TYR 126 Cb -0.11 -1.84 -0.02 0.00 -0.11 0.00 0.00 41.96 39.88 1f1u s TYR 126 CO 0.17 0.58 -0.26 -2.00 -1.11 0.00 0.00 175.55 172.93 1f1u s GLU 127 N -1.00 1.95 -0.10 -0.62 2.12 -0.07 -0.72 118.70 120.28 1f1u s GLU 127 Ca 0.15 -0.98 0.03 0.00 0.36 0.00 0.00 54.97 54.52 1f1u s GLU 127 Cb -0.12 -1.97 0.01 0.00 0.26 0.00 0.00 34.13 32.31 1f1u s GLU 127 CO 0.04 0.53 -0.18 -0.06 -0.54 0.00 0.00 175.26 175.05 1f1u s PHE 128 N -0.67 2.10 0.06 5.30 0.08 -0.11 -0.46 117.98 124.27 1f1u s PHE 128 Ca 0.10 -0.90 -0.07 0.00 0.12 0.00 0.00 56.93 56.19 1f1u s PHE 128 Cb -0.10 -1.46 -0.01 0.00 -0.57 0.00 0.00 43.02 40.88 1f1u s PHE 128 CO 0.00 -0.41 0.14 -0.59 -0.10 0.00 0.00 175.22 174.26 1f1u s PHE 129 N 0.64 0.18 -0.09 0.36 -0.71 -0.97 -1.69 117.98 115.71 1f1u s PHE 129 Ca -0.13 -0.53 -0.04 0.00 -1.04 0.00 0.00 56.93 55.19 1f1u s PHE 129 Cb -0.16 -0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.49 1f1u s PHE 129 CO 0.04 -0.44 -0.11 0.98 -1.34 0.00 0.00 175.22 174.35 1f1u n TYR 130 N 0.42 0.00 -2.47 3.49 9.36 -1.26 -0.77 117.16 125.94 1f1u n TYR 130 Ca -0.17 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.63 1f1u n TYR 130 Cb 0.60 -0.33 -0.03 0.00 -0.63 0.00 0.00 39.34 38.95 1f1u n TYR 130 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1f1u s GLU 131 N -2.17 4.50 -0.10 2.98 2.02 -1.26 -4.89 118.70 119.78 1f1u s GLU 131 Ca -0.13 1.74 -0.15 0.00 0.02 0.00 0.00 54.97 56.45 1f1u s GLU 131 Cb 0.05 -3.32 0.04 0.00 0.10 0.00 0.00 34.13 30.99 1f1u s GLU 131 CO 0.16 -0.13 0.38 -0.08 0.02 0.00 0.00 175.26 175.62 1f1u s THR 132 N 0.57 0.02 0.17 3.63 -1.32 -1.26 -0.84 115.64 116.60 1f1u s THR 132 Ca 0.55 -0.15 -0.32 0.00 -1.21 0.00 0.00 61.69 60.56 1f1u s THR 132 Cb -0.29 -0.60 -0.10 0.00 -1.51 0.00 0.00 72.50 70.00 1f1u s THR 132 CO 0.31 -0.08 1.61 -0.70 -2.21 0.00 0.00 174.62 173.56 1f1u s GLU 133 N -0.34 4.19 0.26 7.08 2.12 -0.16 -4.87 118.70 126.99 1f1u s GLU 133 Ca -0.05 2.42 -0.19 0.00 0.36 0.00 0.00 54.97 57.51 1f1u s GLU 133 Cb -0.03 -3.16 -0.09 0.00 0.26 0.00 0.00 34.13 31.11 1f1u s GLU 133 CO 0.02 -0.65 0.75 -1.01 -0.54 0.00 0.00 175.26 173.84 1f1u s HIS 134 N 1.25 3.57 0.35 5.30 3.76 -1.26 -2.06 115.29 126.20 1f1u s HIS 134 Ca 0.72 1.39 0.03 0.00 -0.15 0.00 0.00 55.06 57.05 1f1u s HIS 134 Cb -0.45 -2.63 -0.05 0.00 1.11 0.00 0.00 32.58 30.56 1f1u s HIS 134 CO 0.31 0.25 0.09 0.14 -0.85 0.00 0.00 174.74 174.68 1f1u s VAL 135 N -1.66 0.89 0.06 -0.90 -7.23 -0.31 -4.95 120.40 106.29 1f1u s VAL 135 Ca 0.47 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.34 1f1u s VAL 135 Cb -0.15 -2.61 -0.09 0.00 0.56 0.00 0.00 36.38 34.09 1f1u s VAL 135 CO 0.20 0.00 1.92 -0.70 -0.31 0.00 0.00 175.10 176.21 1f1u s GLU 136 N -3.85 4.14 -0.28 4.82 2.12 -1.26 -4.72 118.70 119.67 1f1u s GLU 136 Ca 0.32 2.59 -0.26 0.00 0.36 0.00 0.00 54.97 57.98 1f1u s GLU 136 Cb 0.06 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 30.46 1f1u s GLU 136 CO 0.15 -0.92 0.92 0.50 -0.54 0.00 0.00 175.26 175.37 1f1u s ARG 137 N 3.96 4.10 -0.07 4.30 3.52 -1.26 -4.87 118.95 128.64 1f1u s ARG 137 Ca 0.86 0.95 0.08 0.00 -0.13 0.00 0.00 55.73 57.49 1f1u s ARG 137 Cb -0.43 -3.69 0.34 0.00 -1.56 0.00 0.00 34.95 29.61 1f1u s ARG 137 CO 0.40 -0.68 1.13 1.28 -0.81 0.00 0.00 175.30 176.62 1f1u n LEU 138 N 6.34 2.65 -0.29 -0.88 4.77 -0.78 -4.55 117.00 124.26 1f1u n LEU 138 Ca 0.08 -1.34 0.10 0.00 -0.03 0.00 0.00 56.01 54.82 1f1u n LEU 138 Cb 0.47 -0.45 0.23 0.00 -2.33 0.00 0.00 43.42 41.34 1f1u n LEU 138 CO 0.52 0.43 0.85 0.74 -1.33 0.00 0.00 177.39 178.60 1f1u h THR 139 N 1.87 0.24 -0.46 -5.08 2.02 -1.80 -0.00 112.91 109.71 1f1u h THR 139 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1f1u h THR 139 Cb 0.91 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1f1u h THR 139 CO 0.14 0.02 0.00 0.00 0.37 0.00 0.00 175.52 176.05 1f1u n GLN 140 N -5.36 3.72 -2.11 6.66 6.02 -1.26 -4.72 117.38 120.34 1f1u n GLN 140 Ca 0.18 -2.88 -0.42 0.00 -0.01 0.00 0.00 57.00 53.87 1f1u n GLN 140 Cb 0.60 -1.93 0.00 0.00 1.02 0.00 0.00 30.24 29.94 1f1u n GLN 140 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1f1u n ARG 141 N 0.32 3.57 0.19 -1.09 5.12 -0.02 -4.69 116.66 120.07 1f1u n ARG 141 Ca 0.23 -3.25 0.14 0.00 -1.93 0.00 0.00 57.85 53.05 1f1u n ARG 141 Cb 0.94 -2.96 0.61 0.00 -1.16 0.00 0.00 32.46 29.89 1f1u n ARG 141 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1f1u h TYR 142 N 5.62 0.00 0.00 -1.55 0.05 -1.84 0.23 116.97 119.48 1f1u h TYR 142 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.27 1f1u h TYR 142 Cb 0.57 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.31 1f1u h TYR 142 CO 1.37 0.00 0.00 0.38 -1.05 0.00 0.00 178.16 178.86 1f1u h ASP 143 N 0.00 0.00 -0.10 3.88 2.03 -1.97 -2.91 116.42 117.35 1f1u h ASP 143 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1f1u h ASP 143 Cb 0.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.82 1f1u h ASP 143 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 178.39 1f1u n LEU 144 N -2.62 2.43 -4.66 0.15 4.77 0.06 -5.00 117.00 112.13 1f1u n LEU 144 Ca 0.01 -1.17 -0.43 0.00 -0.03 0.00 0.00 56.01 54.39 1f1u n LEU 144 Cb 0.24 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1f1u n LEU 144 CO 0.22 0.48 1.01 -0.47 -1.33 0.00 0.00 177.39 177.29 1f1u s TYR 145 N -1.21 3.08 0.28 -1.77 6.14 -1.10 -5.03 117.35 117.73 1f1u s TYR 145 Ca 0.20 1.22 -0.07 0.00 0.64 0.00 0.00 57.07 59.06 1f1u s TYR 145 Cb 0.13 -3.39 -0.06 0.00 0.42 0.00 0.00 41.96 39.06 1f1u s TYR 145 CO 0.19 -1.13 0.58 -1.54 0.64 0.00 0.00 175.55 174.29 1f1u s SER 146 N 1.61 6.52 0.63 4.32 1.04 -1.26 -4.98 113.70 121.59 1f1u s SER 146 Ca 0.50 0.84 0.30 0.00 0.48 0.00 0.00 55.95 58.07 1f1u s SER 146 Cb -0.19 -2.19 1.65 0.00 0.10 0.00 0.00 66.02 65.39 1f1u s SER 146 CO 0.11 -0.18 1.97 0.00 0.98 0.00 0.00 173.24 176.12 1f1u h ALA 147 N 1.94 1.60 -0.31 5.32 0.00 -1.96 -1.81 119.26 124.03 1f1u h ALA 147 Ca -0.47 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.26 1f1u h ALA 147 Cb 1.18 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.87 1f1u h ALA 147 CO 0.67 -0.40 -0.21 0.41 0.00 0.00 0.00 179.25 179.72 1f1u n GLY 148 N -1.31 5.08 3.66 0.00 0.00 -1.26 -4.39 105.19 106.97 1f1u n GLY 148 Ca 0.01 -1.36 -0.47 0.00 0.00 0.00 0.00 46.02 44.20 1f1u n GLY 148 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1f1u n GLU 149 N -1.10 2.03 -3.08 1.61 4.07 -0.68 -4.88 120.64 118.61 1f1u n GLU 149 Ca 0.31 0.73 -0.41 0.00 -0.06 0.00 0.00 57.16 57.74 1f1u n GLU 149 Cb 0.95 -2.50 -0.06 0.00 -0.06 0.00 0.00 31.44 29.77 1f1u n GLU 149 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1f1u s LEU 150 N 1.14 4.12 -0.07 4.31 1.43 -1.26 -4.40 118.68 123.95 1f1u s LEU 150 Ca 0.81 0.51 0.21 0.00 -1.03 0.00 0.00 54.13 54.63 1f1u s LEU 150 Cb -0.71 -2.87 -0.29 0.00 0.03 0.00 0.00 46.19 42.35 1f1u s LEU 150 CO 0.40 -0.48 0.39 1.33 0.23 0.00 0.00 176.35 178.22 1f1u n VAL 151 N 5.39 0.50 -3.63 -1.59 0.24 0.87 -1.78 118.33 118.32 1f1u n VAL 151 Ca -0.00 -0.62 -0.15 0.00 -2.04 0.00 0.00 64.34 61.53 1f1u n VAL 151 Cb 0.49 -0.19 -0.07 0.00 -1.47 0.00 0.00 33.84 32.60 1f1u n VAL 151 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1f1u s ARG 152 N -3.18 0.83 -0.04 7.34 3.52 -1.19 -1.07 118.95 125.16 1f1u s ARG 152 Ca -0.08 0.61 -0.28 0.00 -0.13 0.00 0.00 55.73 55.85 1f1u s ARG 152 Cb 0.11 0.40 -0.03 0.00 -1.56 0.00 0.00 34.95 33.87 1f1u s ARG 152 CO 0.88 -0.17 0.88 -1.17 -0.81 0.00 0.00 175.30 174.91 1f1u s LEU 153 N -0.26 4.33 -0.18 -0.88 2.96 -1.26 -0.38 118.68 123.02 1f1u s LEU 153 Ca -0.04 1.47 -0.06 0.00 -0.22 0.00 0.00 54.13 55.28 1f1u s LEU 153 Cb -0.03 -3.39 -0.09 0.00 0.50 0.00 0.00 46.19 43.18 1f1u s LEU 153 CO 0.04 -0.24 -0.21 -0.67 -1.32 0.00 0.00 176.35 173.96 1f1u n ASP 154 N 4.02 1.68 -3.74 3.68 2.03 0.06 -4.92 116.55 119.36 1f1u n ASP 154 Ca 0.04 0.13 -0.06 0.00 0.52 0.00 0.00 54.79 55.42 1f1u n ASP 154 Cb 0.51 -0.45 -0.02 0.00 -0.72 0.00 0.00 41.12 40.44 1f1u n ASP 154 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1f1u s HIS 155 N -2.33 -0.20 0.27 -0.67 -3.43 -1.19 -4.43 115.29 103.30 1f1u s HIS 155 Ca -0.24 -0.13 0.08 0.00 -0.80 0.00 0.00 55.06 53.97 1f1u s HIS 155 Cb 0.08 0.65 -0.04 0.00 -1.43 0.00 0.00 32.58 31.84 1f1u s HIS 155 CO 0.33 -0.95 0.09 -0.06 -2.00 0.00 0.00 174.74 172.16 1f1u s PHE 156 N -3.52 2.86 -0.03 0.38 0.08 -0.21 -1.08 117.98 116.45 1f1u s PHE 156 Ca 0.10 -0.20 -0.00 0.00 0.12 0.00 0.00 56.93 56.95 1f1u s PHE 156 Cb -0.03 -1.33 0.03 0.00 -0.57 0.00 0.00 43.02 41.12 1f1u s PHE 156 CO 0.02 0.55 0.02 1.21 -0.10 0.00 0.00 175.22 176.92 1f1u s ASN 157 N -3.76 0.62 0.00 1.36 3.84 -0.21 -2.31 114.94 114.47 1f1u s ASN 157 Ca 0.33 0.01 0.07 0.00 0.21 0.00 0.00 52.86 53.48 1f1u s ASN 157 Cb -0.07 -0.18 -0.03 0.00 -0.55 0.00 0.00 41.25 40.42 1f1u s ASN 157 CO 0.22 -0.15 -0.21 -1.10 -2.79 0.00 0.00 177.10 173.07 1f1u s GLN 158 N 1.41 2.15 -0.22 0.43 -0.21 0.06 -0.20 119.66 123.08 1f1u s GLN 158 Ca -0.04 -0.91 -0.09 0.00 0.02 0.00 0.00 55.36 54.33 1f1u s GLN 158 Cb -0.13 -2.16 -0.05 0.00 1.00 0.00 0.00 33.01 31.68 1f1u s GLN 158 CO -0.03 0.56 0.12 0.08 -2.12 0.00 0.00 175.29 173.90 1f1u s VAL 159 N -0.76 5.09 0.01 1.09 1.01 0.05 -0.46 120.40 126.42 1f1u s VAL 159 Ca 0.12 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 1f1u s VAL 159 Cb -0.10 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1f1u s VAL 159 CO 0.02 0.39 0.03 0.28 0.00 0.00 0.00 175.10 175.82 1f1u s THR 160 N 0.83 0.10 0.20 3.92 -1.32 -0.31 -2.35 115.64 116.70 1f1u s THR 160 Ca 0.06 -0.80 0.18 0.00 -1.21 0.00 0.00 61.69 59.92 1f1u s THR 160 Cb -0.13 -0.32 0.12 0.00 -1.51 0.00 0.00 72.50 70.66 1f1u s THR 160 CO 0.02 -0.44 1.74 -0.65 -2.21 0.00 0.00 174.62 173.08 1f1u h PRO 161 N 4.56 0.00 -4.13 7.08 0.11 -1.50 -1.23 132.00 136.89 1f1u h PRO 161 Ca -0.31 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.16 1f1u h PRO 161 Cb 1.20 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.91 1f1u h PRO 161 CO 0.41 0.39 -0.71 0.34 -0.21 0.00 0.00 178.00 178.22 1f1u s ASP 162 N -6.49 4.49 0.09 -2.05 -1.08 -1.26 -4.59 116.67 105.77 1f1u s ASP 162 Ca -0.00 -2.30 -0.15 0.00 -0.52 0.00 0.00 52.55 49.58 1f1u s ASP 162 Cb 0.11 -1.48 -0.12 0.00 -1.46 0.00 0.00 42.92 39.97 1f1u s ASP 162 CO 0.69 -0.34 1.36 0.58 0.52 0.00 0.00 175.17 177.97 1f1u h VAL 163 N 6.26 1.31 -0.77 1.11 2.07 -1.85 -1.87 116.25 122.50 1f1u h VAL 163 Ca -0.06 -1.66 0.08 0.00 0.82 0.00 0.00 66.70 65.88 1f1u h VAL 163 Cb 0.98 1.79 -0.07 0.00 -1.52 0.00 0.00 31.29 32.47 1f1u h VAL 163 CO 0.55 0.53 0.43 -0.65 0.02 0.00 0.00 177.57 178.44 1f1u h PRO 164 N 0.43 0.73 -0.51 1.57 0.11 -1.94 0.32 132.00 132.71 1f1u h PRO 164 Ca 0.01 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1f1u h PRO 164 Cb 1.06 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 1f1u h PRO 164 CO 0.10 0.48 0.28 -0.09 -0.21 0.00 0.00 178.00 178.57 1f1u h ARG 165 N 0.75 0.71 -0.67 1.05 2.43 -1.88 -2.55 114.38 114.22 1f1u h ARG 165 Ca 0.36 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.41 1f1u h ARG 165 Cb 0.30 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1f1u h ARG 165 CO -0.23 0.54 0.25 0.78 -1.51 0.00 0.00 179.97 179.81 1f1u h GLY 166 N 0.68 1.08 0.96 2.80 0.00 -0.41 -1.92 103.07 106.26 1f1u h GLY 166 Ca 0.18 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1f1u h GLY 166 CO -0.03 0.57 0.10 -0.09 0.00 0.00 0.00 176.54 177.09 1f1u h ARG 167 N 0.95 0.23 -0.28 4.80 2.43 -0.25 -0.38 114.38 121.88 1f1u h ARG 167 Ca 0.22 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.29 1f1u h ARG 167 Cb 0.24 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1f1u h ARG 167 CO -0.01 0.21 -0.14 0.00 -1.51 0.00 0.00 179.97 178.52 1f1u h ALA 168 N 1.01 1.23 -0.48 2.80 0.00 -1.41 -0.06 119.26 122.34 1f1u h ALA 168 Ca 0.06 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1f1u h ALA 168 Cb 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1f1u h ALA 168 CO -0.01 0.50 0.13 -0.92 0.00 0.00 0.00 179.25 178.95 1f1u h TYR 169 N 0.45 0.80 0.00 0.00 3.20 -1.06 -1.12 116.97 119.23 1f1u h TYR 169 Ca 0.08 -0.09 -0.13 0.00 3.14 0.00 0.00 58.73 61.73 1f1u h TYR 169 Cb 0.51 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 1f1u h TYR 169 CO 0.02 0.71 -0.64 -0.07 -1.64 0.00 0.00 178.16 176.54 1f1u h LEU 170 N 0.65 0.00 -0.72 2.82 3.38 -0.55 -2.19 115.31 118.70 1f1u h LEU 170 Ca 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1f1u h LEU 170 Cb 0.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1f1u h LEU 170 CO -0.00 0.64 0.38 -0.33 0.09 0.00 0.00 178.44 179.22 1f1u h GLU 171 N 0.00 1.01 0.00 1.13 5.08 -0.88 -1.17 114.58 119.75 1f1u h GLU 171 Ca -0.01 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 1f1u h GLU 171 Cb 1.21 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1f1u h GLU 171 CO 0.08 0.77 -0.28 -0.44 -1.00 0.00 0.00 179.01 178.14 1f1u h ASP 172 N 1.00 0.00 0.23 1.42 3.32 -0.85 -0.05 116.42 121.49 1f1u h ASP 172 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1f1u h ASP 172 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1f1u h ASP 172 CO -0.04 0.28 0.00 0.18 -1.72 0.00 0.00 179.24 177.94 1f1u n LEU 173 N -4.19 0.00 0.00 1.55 4.77 -0.83 -4.68 117.00 113.62 1f1u n LEU 173 Ca -0.02 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1f1u n LEU 173 Cb 0.33 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1f1u n LEU 173 CO 0.38 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1f1u n GLY 174 N 0.88 0.52 3.77 -0.72 0.00 -0.03 -4.79 105.19 104.82 1f1u n GLY 174 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1f1u n GLY 174 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f1u s PHE 175 N -2.00 3.47 0.10 1.61 0.40 -0.51 -4.83 117.98 116.23 1f1u s PHE 175 Ca 0.00 1.70 0.06 0.00 -0.60 0.00 0.00 56.93 58.09 1f1u s PHE 175 Cb 0.00 -3.14 -0.04 0.00 0.51 0.00 0.00 43.02 40.35 1f1u s PHE 175 CO 0.00 -0.42 -0.03 1.03 0.70 0.00 0.00 175.22 176.50 1f1u s ARG 176 N -2.01 2.39 -0.31 0.44 0.52 -0.43 -4.02 118.95 115.53 1f1u s ARG 176 Ca 0.51 -0.93 -0.23 0.00 -0.52 0.00 0.00 55.73 54.57 1f1u s ARG 176 Cb -0.25 -2.44 -0.00 0.00 0.52 0.00 0.00 34.95 32.77 1f1u s ARG 176 CO 0.32 0.52 0.75 0.08 0.02 0.00 0.00 175.30 176.99 1f1u s VAL 177 N -1.33 4.82 -0.03 3.52 1.01 -1.26 -0.81 120.40 126.31 1f1u s VAL 177 Ca 0.25 1.08 -0.02 0.00 0.00 0.00 0.00 61.98 63.28 1f1u s VAL 177 Cb -0.11 -4.12 -0.27 0.00 0.00 0.00 0.00 36.38 31.88 1f1u s VAL 177 CO 0.17 -0.25 0.71 0.77 0.00 0.00 0.00 175.10 176.50 1f1u h SER 178 N 8.17 0.36 -5.01 3.32 4.64 -1.37 -3.42 113.55 120.25 1f1u h SER 178 Ca -0.25 -0.59 -0.10 0.00 -0.47 0.00 0.00 61.79 60.38 1f1u h SER 178 Cb 1.10 -0.12 -0.19 0.00 -0.31 0.00 0.00 62.40 62.88 1f1u h SER 178 CO 0.87 1.51 -0.22 -1.61 -0.87 0.00 0.00 176.83 176.51 1f1u s GLU 179 N -2.60 0.75 0.24 4.77 2.02 -1.24 -1.58 118.70 121.06 1f1u s GLU 179 Ca -0.12 -0.23 -0.08 0.00 0.02 0.00 0.00 54.97 54.57 1f1u s GLU 179 Cb 0.07 0.33 -0.02 0.00 0.10 0.00 0.00 34.13 34.61 1f1u s GLU 179 CO 0.83 -0.22 0.36 0.16 0.02 0.00 0.00 175.26 176.41 1f1u s ASP 180 N -1.51 0.10 -0.13 -0.19 1.47 -0.39 -0.85 116.67 115.18 1f1u s ASP 180 Ca -0.11 -1.14 0.02 0.00 1.18 0.00 0.00 52.55 52.49 1f1u s ASP 180 Cb -0.04 0.52 0.01 0.00 -0.34 0.00 0.00 42.92 43.08 1f1u s ASP 180 CO 0.03 -1.05 -0.18 -0.63 0.68 0.00 0.00 175.17 174.02 1f1u s ILE 181 N -3.97 1.74 0.18 2.11 1.01 -0.69 -0.70 121.20 120.88 1f1u s ILE 181 Ca 0.29 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 60.20 1f1u s ILE 181 Cb 0.02 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.87 1f1u s ILE 181 CO 0.11 0.49 -0.06 -0.54 0.00 0.00 0.00 174.94 174.94 1f1u s LYS 182 N 1.00 1.18 0.61 2.79 1.02 -0.22 -0.51 119.74 125.60 1f1u s LYS 182 Ca -0.05 -1.55 0.07 0.00 0.02 0.00 0.00 55.97 54.46 1f1u s LYS 182 Cb -0.15 -0.63 0.10 0.00 -0.52 0.00 0.00 37.83 36.63 1f1u s LYS 182 CO -0.03 0.01 0.84 0.16 -0.92 0.00 0.00 175.35 175.40 1f1u s ASP 183 N -3.23 4.93 0.58 2.83 1.47 -0.87 -1.82 116.67 120.56 1f1u s ASP 183 Ca 0.22 -0.73 0.27 0.00 1.18 0.00 0.00 52.55 53.49 1f1u s ASP 183 Cb 0.04 0.21 1.60 0.00 -0.34 0.00 0.00 42.92 44.43 1f1u s ASP 183 CO 0.04 -1.46 2.10 0.77 0.68 0.00 0.00 175.17 177.31 1f1u h SER 184 N 0.02 0.00 0.65 2.11 4.64 -1.99 0.85 113.55 119.83 1f1u h SER 184 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1f1u h SER 184 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1f1u h SER 184 CO 0.41 0.00 -0.05 0.47 -0.87 0.00 0.00 176.83 176.78 1f1u n ASP 185 N -3.94 0.12 0.00 4.97 8.00 -1.26 -4.93 116.55 119.50 1f1u n ASP 185 Ca 0.02 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1f1u n ASP 185 Cb 0.32 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1f1u n ASP 185 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f1u n GLY 186 N 1.36 0.76 3.71 0.44 0.00 0.29 -5.04 105.19 106.72 1f1u n GLY 186 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1f1u n GLY 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f1u s VAL 187 N -2.30 4.37 -0.15 1.61 1.01 -1.26 -4.81 120.40 118.87 1f1u s VAL 187 Ca 0.00 1.72 -0.29 0.00 0.00 0.00 0.00 61.98 63.40 1f1u s VAL 187 Cb 0.00 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 1f1u s VAL 187 CO 0.00 0.14 1.05 -0.89 0.00 0.00 0.00 175.10 175.40 1f1u s THR 188 N 0.98 4.67 -0.13 3.92 2.01 -1.26 -2.05 115.64 123.78 1f1u s THR 188 Ca 0.55 1.97 0.19 0.00 0.31 0.00 0.00 61.69 64.71 1f1u s THR 188 Cb -0.26 -4.27 -0.27 0.00 0.01 0.00 0.00 72.50 67.71 1f1u s THR 188 CO 0.29 -0.07 0.22 -1.22 -0.69 0.00 0.00 174.62 173.16 1f1u n TYR 189 N 5.57 0.00 -3.49 4.92 4.02 0.33 -4.29 117.16 124.21 1f1u n TYR 189 Ca 0.10 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.84 1f1u n TYR 189 Cb 0.47 -0.77 -0.04 0.00 -0.02 0.00 0.00 39.34 38.98 1f1u n TYR 189 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1f1u s ALA 190 N -2.86 -1.64 -0.10 -0.72 0.00 -1.21 -3.61 121.76 111.61 1f1u s ALA 190 Ca -0.09 0.91 -0.13 0.00 0.00 0.00 0.00 51.96 52.65 1f1u s ALA 190 Cb 0.09 0.38 0.03 0.00 0.00 0.00 0.00 23.12 23.62 1f1u s ALA 190 CO 0.83 -0.54 0.34 0.00 0.00 0.00 0.00 175.76 176.39 1f1u s ALA 191 N -2.31 -0.85 -0.22 0.00 0.00 -0.91 -1.70 121.76 115.77 1f1u s ALA 191 Ca -0.06 0.84 -0.05 0.00 0.00 0.00 0.00 51.96 52.69 1f1u s ALA 191 Cb -0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 1f1u s ALA 191 CO -0.00 -0.19 -0.00 -1.58 0.00 0.00 0.00 175.76 173.99 1f1u s TRP 192 N -0.16 3.02 -0.03 0.00 0.51 -0.03 -1.10 118.94 121.15 1f1u s TRP 192 Ca -0.03 -0.63 0.04 0.00 -2.12 0.00 0.00 56.10 53.36 1f1u s TRP 192 Cb -0.03 -2.13 -0.00 0.00 -0.81 0.00 0.00 33.47 30.50 1f1u s TRP 192 CO 0.01 -0.38 -0.14 -1.64 -0.51 0.00 0.00 176.95 174.29 1f1u s MET 193 N 1.32 1.36 0.07 4.98 -1.94 -0.26 -1.17 119.30 123.66 1f1u s MET 193 Ca 0.04 -0.50 0.03 0.00 -1.71 0.00 0.00 55.69 53.56 1f1u s MET 193 Cb -0.15 -1.24 -0.03 0.00 2.01 0.00 0.00 34.83 35.42 1f1u s MET 193 CO 0.00 0.23 -0.10 -3.38 -0.01 0.00 0.00 175.02 171.76 1f1u s HIS 194 N -0.04 0.95 -0.09 -0.03 -3.43 0.01 -0.71 115.29 111.95 1f1u s HIS 194 Ca -0.01 -0.58 -0.06 0.00 -0.80 0.00 0.00 55.06 53.62 1f1u s HIS 194 Cb -0.09 -0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 30.48 1f1u s HIS 194 CO 0.01 -0.03 -0.14 0.54 -2.00 0.00 0.00 174.74 173.12 1f1u n ARG 195 N 0.98 0.22 -1.40 -0.38 5.12 -1.26 -1.31 116.66 118.63 1f1u n ARG 195 Ca -0.19 0.10 -0.30 0.00 -1.93 0.00 0.00 57.85 55.52 1f1u n ARG 195 Cb 0.56 -0.87 0.22 0.00 -1.16 0.00 0.00 32.46 31.21 1f1u n ARG 195 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 1f1u s LYS 196 N -2.22 -0.50 -0.31 5.56 -2.85 -1.16 -4.92 119.74 113.33 1f1u s LYS 196 Ca -0.14 -0.19 0.00 0.00 -1.00 0.00 0.00 55.97 54.64 1f1u s LYS 196 Cb 0.05 -1.69 0.29 0.00 -2.06 0.00 0.00 37.83 34.42 1f1u s LYS 196 CO 0.18 -3.21 1.79 1.04 0.10 0.00 0.00 175.35 175.25 1f1u n GLN 197 N -4.38 1.80 -4.66 1.78 6.02 -1.26 -4.83 117.38 111.85 1f1u n GLN 197 Ca 0.14 -1.69 -0.32 0.00 -0.01 0.00 0.00 57.00 55.12 1f1u n GLN 197 Cb 0.59 -1.66 -0.07 0.00 1.02 0.00 0.00 30.24 30.12 1f1u n GLN 197 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1f1u s THR 198 N -2.22 1.21 0.25 5.09 -4.23 -1.26 -1.91 115.64 112.58 1f1u s THR 198 Ca 0.33 -1.94 -0.03 0.00 -1.18 0.00 0.00 61.69 58.87 1f1u s THR 198 Cb 0.26 -2.15 0.23 0.00 1.34 0.00 0.00 72.50 72.18 1f1u s THR 198 CO 0.02 0.00 1.76 0.58 -0.54 0.00 0.00 174.62 176.44 1f1u h VAL 199 N 1.27 0.74 -2.54 2.29 2.07 -1.88 -3.42 116.25 114.78 1f1u h VAL 199 Ca -0.43 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 1f1u h VAL 199 Cb 1.31 0.10 -0.15 0.00 -1.52 0.00 0.00 31.29 31.03 1f1u h VAL 199 CO 0.72 0.11 0.21 -1.38 0.02 0.00 0.00 177.57 177.25 1f1u s HIS 200 N -6.00 -0.59 -0.18 1.57 -3.43 -1.26 -4.19 115.29 101.22 1f1u s HIS 200 Ca -0.12 0.68 0.12 0.00 -0.80 0.00 0.00 55.06 54.93 1f1u s HIS 200 Cb 0.21 0.49 -0.19 0.00 -1.43 0.00 0.00 32.58 31.66 1f1u s HIS 200 CO 0.77 -0.74 0.00 -0.25 -2.00 0.00 0.00 174.74 172.53 1f1u n ASP 201 N 0.19 1.18 -3.81 7.38 8.00 0.11 -4.53 116.55 125.08 1f1u n ASP 201 Ca -0.18 -0.03 -0.09 0.00 0.71 0.00 0.00 54.79 55.20 1f1u n ASP 201 Cb 0.61 0.63 -0.07 0.00 -0.02 0.00 0.00 41.12 42.28 1f1u n ASP 201 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1f1u s THR 202 N -2.41 0.12 0.05 -3.53 -1.32 -0.87 -1.05 115.64 106.63 1f1u s THR 202 Ca -0.13 -1.03 0.02 0.00 -1.21 0.00 0.00 61.69 59.35 1f1u s THR 202 Cb 0.06 -1.26 -0.03 0.00 -1.51 0.00 0.00 72.50 69.76 1f1u s THR 202 CO 0.65 -0.57 -0.08 0.00 -2.21 0.00 0.00 174.62 172.41 1f1u s ALA 203 N -3.71 0.64 -0.16 11.08 0.00 -0.98 -1.10 121.76 127.54 1f1u s ALA 203 Ca 0.03 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 1f1u s ALA 203 Cb 0.04 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1f1u s ALA 203 CO -0.10 -0.03 -0.04 -0.51 0.00 0.00 0.00 175.76 175.08 1f1u s LEU 204 N -1.71 3.21 -0.09 0.00 1.43 -0.26 -0.76 118.68 120.49 1f1u s LEU 204 Ca -0.08 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1f1u s LEU 204 Cb -0.09 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 1f1u s LEU 204 CO 0.00 0.15 -0.16 -0.89 0.23 0.00 0.00 176.35 175.68 1f1u s THR 205 N 0.46 2.85 0.11 5.49 2.01 0.39 -2.15 115.64 124.81 1f1u s THR 205 Ca -0.04 -0.76 -0.30 0.00 0.31 0.00 0.00 61.69 60.90 1f1u s THR 205 Cb -0.14 -2.14 -0.06 0.00 0.01 0.00 0.00 72.50 70.16 1f1u s THR 205 CO 0.03 0.55 1.01 -0.83 -0.69 0.00 0.00 174.62 174.69 1f1u s GLY 206 N -0.08 2.93 0.00 4.40 0.00 -1.24 -1.16 107.32 112.18 1f1u s GLY 206 Ca -0.03 0.64 0.00 0.00 0.00 0.00 0.00 44.72 45.33 1f1u s GLY 206 CO 0.04 1.55 0.00 0.61 0.00 0.00 0.00 173.10 175.30 1f1u n GLY 207 N 2.32 -1.64 3.74 0.20 0.00 -0.46 -4.82 105.19 104.53 1f1u n GLY 207 Ca 0.03 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 1f1u n GLY 207 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f1u s ASN 208 N -2.69 6.65 0.27 1.61 0.01 -1.26 -1.32 114.94 118.20 1f1u s ASN 208 Ca 0.00 2.67 -0.14 0.00 -0.71 0.00 0.00 52.86 54.67 1f1u s ASN 208 Cb 0.00 -2.62 0.05 0.00 0.41 0.00 0.00 41.25 39.09 1f1u s ASN 208 CO 0.00 -0.70 0.74 0.61 -1.51 0.00 0.00 177.10 176.23 1f1u n GLY 209 N 2.21 0.98 3.71 0.66 0.00 -0.83 -4.35 105.19 107.57 1f1u n GLY 209 Ca 0.07 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1f1u n GLY 209 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1f1u s PRO 210 N -2.06 4.31 0.05 1.61 0.04 -1.26 -0.35 135.00 137.34 1f1u s PRO 210 Ca 0.15 2.10 -0.00 0.00 0.04 0.00 0.00 61.00 63.29 1f1u s PRO 210 Cb -0.03 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 1f1u s PRO 210 CO 0.08 -0.46 -0.04 1.03 0.04 0.00 0.00 177.00 177.65 1f1u s ARG 211 N 1.15 0.58 -0.32 4.56 0.52 -0.99 -4.23 118.95 120.22 1f1u s ARG 211 Ca 0.65 -1.11 -0.15 0.00 -0.52 0.00 0.00 55.73 54.61 1f1u s ARG 211 Cb -0.37 0.11 -0.02 0.00 0.52 0.00 0.00 34.95 35.19 1f1u s ARG 211 CO 0.30 -0.08 0.35 1.41 0.02 0.00 0.00 175.30 177.30 1f1u s MET 212 N -3.36 3.73 -0.10 3.54 -2.45 0.70 -0.77 119.30 120.58 1f1u s MET 212 Ca 0.03 -0.28 -0.19 0.00 -1.25 0.00 0.00 55.69 54.00 1f1u s MET 212 Cb 0.04 -3.75 -0.16 0.00 1.25 0.00 0.00 34.83 32.20 1f1u s MET 212 CO -0.07 -0.43 0.62 1.25 1.05 0.00 0.00 175.02 177.44 1f1u h HIS 213 N 8.38 -0.06 -3.00 4.11 2.76 -0.90 0.54 115.15 126.97 1f1u h HIS 213 Ca -0.31 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 57.92 1f1u h HIS 213 Cb 1.15 0.02 -0.06 0.00 1.55 0.00 0.00 27.41 30.07 1f1u h HIS 213 CO 0.72 0.50 0.23 -3.38 -1.30 0.00 0.00 177.93 174.69 1f1u s HIS 214 N -2.46 -0.25 -0.02 5.26 -3.43 -1.10 -4.32 115.29 108.97 1f1u s HIS 214 Ca -0.12 -0.17 0.07 0.00 -0.80 0.00 0.00 55.06 54.05 1f1u s HIS 214 Cb -0.01 0.68 -0.02 0.00 -1.43 0.00 0.00 32.58 31.80 1f1u s HIS 214 CO 0.45 -1.17 -0.24 0.54 -2.00 0.00 0.00 174.74 172.32 1f1u s VAL 215 N -3.89 1.88 -0.02 -5.38 0.11 -1.02 -1.05 120.40 111.03 1f1u s VAL 215 Ca 0.09 -1.03 0.06 0.00 -2.93 0.00 0.00 61.98 58.18 1f1u s VAL 215 Cb -0.05 -1.56 -0.01 0.00 -1.53 0.00 0.00 36.38 33.22 1f1u s VAL 215 CO 0.04 0.52 -0.21 0.00 -3.33 0.00 0.00 175.10 172.11 1f1u s ALA 216 N -0.57 1.80 0.09 1.54 0.00 -0.24 -0.56 121.76 123.83 1f1u s ALA 216 Ca 0.09 -0.91 0.10 0.00 0.00 0.00 0.00 51.96 51.24 1f1u s ALA 216 Cb -0.09 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1f1u s ALA 216 CO -0.01 0.42 -0.25 -0.06 0.00 0.00 0.00 175.76 175.86 1f1u s PHE 217 N -0.40 2.35 0.08 0.00 0.40 -0.19 -0.76 117.98 119.46 1f1u s PHE 217 Ca 0.06 -0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 56.01 1f1u s PHE 217 Cb -0.09 -1.32 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 1f1u s PHE 217 CO -0.00 0.27 0.24 0.00 0.70 0.00 0.00 175.22 176.43 1f1u s ALA 218 N -0.97 3.97 0.44 5.36 0.00 0.48 -1.08 121.76 129.96 1f1u s ALA 218 Ca 0.14 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.38 1f1u s ALA 218 Cb -0.10 -1.88 -0.01 0.00 0.00 0.00 0.00 23.12 21.13 1f1u s ALA 218 CO 0.05 0.80 0.43 0.95 0.00 0.00 0.00 175.76 177.99 1f1u s THR 219 N -1.54 2.58 0.07 0.00 -4.23 -0.17 -0.09 115.64 112.26 1f1u s THR 219 Ca 0.36 -1.29 -0.17 0.00 -1.18 0.00 0.00 61.69 59.41 1f1u s THR 219 Cb -0.13 -2.88 -0.14 0.00 1.34 0.00 0.00 72.50 70.70 1f1u s THR 219 CO 0.27 0.00 1.32 0.45 -0.54 0.00 0.00 174.62 176.13 1f1u h HIS 220 N 0.91 0.75 -4.51 3.99 3.86 -1.90 -3.43 115.15 114.82 1f1u h HIS 220 Ca -0.40 -0.28 -0.24 0.00 -1.16 0.00 0.00 60.37 58.29 1f1u h HIS 220 Cb 1.27 -0.14 -0.15 0.00 1.06 0.00 0.00 27.41 29.45 1f1u h HIS 220 CO 0.53 1.03 -0.62 -1.21 0.86 0.00 0.00 177.93 178.52 1f1u s GLU 221 N -4.03 1.18 0.30 2.45 2.02 -1.26 -4.85 118.70 114.52 1f1u s GLU 221 Ca -0.13 -1.62 -0.01 0.00 0.02 0.00 0.00 54.97 53.24 1f1u s GLU 221 Cb 0.07 0.22 0.45 0.00 0.10 0.00 0.00 34.13 34.97 1f1u s GLU 221 CO 0.82 -0.37 1.92 0.87 0.02 0.00 0.00 175.26 178.52 1f1u h LYS 222 N 2.63 0.95 0.00 1.61 1.57 -1.96 -2.48 116.57 118.90 1f1u h LYS 222 Ca -0.36 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 1f1u h LYS 222 Cb 1.24 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 1f1u h LYS 222 CO 0.54 0.71 -0.07 1.12 -0.57 0.00 0.00 179.45 181.19 1f1u h HIS 223 N 0.96 0.00 -0.36 -1.35 2.07 -1.97 -1.70 115.15 112.81 1f1u h HIS 223 Ca 0.24 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.67 1f1u h HIS 223 Cb 0.05 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.01 1f1u h HIS 223 CO 0.01 0.07 -0.15 -0.91 -3.07 0.00 0.00 177.93 173.88 1f1u h ASN 224 N 0.00 0.63 -0.21 3.10 2.35 -1.65 -1.15 115.58 118.66 1f1u h ASN 224 Ca -0.00 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.48 1f1u h ASN 224 Cb 0.21 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1f1u h ASN 224 CO 0.01 0.80 -0.17 0.40 -1.65 0.00 0.00 177.43 176.82 1f1u h ILE 225 N 0.58 1.32 -0.97 2.81 2.04 -1.42 -2.60 117.51 119.28 1f1u h ILE 225 Ca 0.10 -1.30 0.06 0.00 1.00 0.00 0.00 64.86 64.72 1f1u h ILE 225 Cb 0.59 1.71 -0.06 0.00 -0.74 0.00 0.00 36.82 38.32 1f1u h ILE 225 CO 0.04 0.40 0.62 0.40 0.00 0.00 0.00 178.15 179.61 1f1u h ILE 226 N 0.16 1.10 -0.41 -0.67 1.08 -1.28 -1.89 117.51 115.61 1f1u h ILE 226 Ca 0.04 -0.39 -0.03 0.00 -0.39 0.00 0.00 64.86 64.08 1f1u h ILE 226 Cb 0.70 -0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 34.27 1f1u h ILE 226 CO 0.04 0.21 0.10 -0.61 -0.69 0.00 0.00 178.15 177.21 1f1u h GLN 227 N 1.15 0.60 -0.64 2.37 5.75 -1.03 -0.14 115.11 123.17 1f1u h GLN 227 Ca 0.41 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.80 1f1u h GLN 227 Cb 0.13 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 1f1u h GLN 227 CO -0.16 0.54 0.35 0.82 -2.65 0.00 0.00 178.83 177.74 1f1u h ILE 228 N 0.59 1.20 -0.61 2.39 2.04 -0.96 0.84 117.51 123.00 1f1u h ILE 228 Ca 0.14 -0.52 -0.09 0.00 1.00 0.00 0.00 64.86 65.39 1f1u h ILE 228 Cb 0.21 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1f1u h ILE 228 CO -0.00 0.22 0.03 0.00 0.00 0.00 0.00 178.15 178.40 1f1u h ASP 230 N 0.95 0.63 -0.50 0.00 3.32 -0.60 -0.07 116.42 120.15 1f1u h ASP 230 Ca 0.18 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 1f1u h ASP 230 Cb 0.52 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1f1u h ASP 230 CO 0.02 0.65 0.15 0.50 -1.72 0.00 0.00 179.24 178.85 1f1u h LYS 231 N 0.57 0.78 -0.79 3.56 3.64 -0.70 -0.76 116.57 122.87 1f1u h LYS 231 Ca 0.14 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1f1u h LYS 231 Cb 0.24 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 1f1u h LYS 231 CO -0.01 0.73 0.37 0.52 -2.27 0.00 0.00 179.45 178.80 1f1u h MET 232 N 0.68 1.13 -0.63 1.90 2.86 -0.81 -0.91 114.93 119.15 1f1u h MET 232 Ca 0.16 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1f1u h MET 232 Cb 0.28 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 1f1u h MET 232 CO -0.00 0.87 0.40 0.78 1.06 0.00 0.00 176.91 180.02 1f1u h GLY 233 N 1.15 0.90 1.67 8.32 0.00 -0.64 -0.51 103.07 113.96 1f1u h GLY 233 Ca 0.27 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 1f1u h GLY 233 CO -0.03 0.35 -0.18 0.00 0.00 0.00 0.00 176.54 176.68 1f1u h ALA 234 N 1.21 1.27 -0.03 3.60 0.00 -0.45 -1.63 119.26 123.24 1f1u h ALA 234 Ca 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1f1u h ALA 234 Cb -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1f1u h ALA 234 CO -0.05 0.48 0.00 1.28 0.00 0.00 0.00 179.25 180.96 1f1u n LEU 235 N -4.19 0.53 -3.63 0.00 4.77 -0.41 -4.92 117.00 109.15 1f1u n LEU 235 Ca -0.00 -0.20 -0.24 0.00 -0.03 0.00 0.00 56.01 55.54 1f1u n LEU 235 Cb 0.34 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.48 1f1u n LEU 235 CO 0.40 0.10 0.20 -1.14 -1.33 0.00 0.00 177.39 175.62 1f1u n ARG 236 N -0.51 -7.33 -0.78 3.23 3.00 -0.61 -4.91 116.66 108.74 1f1u n ARG 236 Ca 0.18 0.79 0.06 0.00 -0.00 0.00 0.00 57.85 58.88 1f1u n ARG 236 Cb 0.17 -5.80 0.15 0.00 0.00 0.00 0.00 32.46 26.98 1f1u n ARG 236 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 1f1u n ILE 237 N -4.82 1.56 0.31 5.15 -5.35 -0.26 -4.79 119.36 111.16 1f1u n ILE 237 Ca -0.04 -2.50 0.15 0.00 -0.27 0.00 0.00 62.75 60.09 1f1u n ILE 237 Cb 0.57 0.10 0.68 0.00 -1.74 0.00 0.00 39.64 39.25 1f1u n ILE 237 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1f1u h SER 238 N 0.89 0.00 0.26 7.28 4.64 -1.84 -0.50 113.55 124.28 1f1u h SER 238 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1f1u h SER 238 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1f1u h SER 238 CO 0.03 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.09 1f1u n ASP 239 N -2.63 0.00 -0.69 4.97 5.75 -1.26 -1.12 116.55 121.58 1f1u n ASP 239 Ca 0.00 0.05 0.13 0.00 -0.01 0.00 0.00 54.79 54.96 1f1u n ASP 239 Cb 0.19 -0.27 0.35 0.00 -1.03 0.00 0.00 41.12 40.37 1f1u n ASP 239 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1f1u n ARG 240 N -1.27 1.94 -2.97 0.11 5.12 -0.19 -4.71 116.66 114.68 1f1u n ARG 240 Ca 0.07 -1.38 -0.43 0.00 -1.93 0.00 0.00 57.85 54.19 1f1u n ARG 240 Cb 0.11 -1.46 -0.05 0.00 -1.16 0.00 0.00 32.46 29.90 1f1u n ARG 240 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1f1u s ILE 241 N -1.92 4.70 -0.16 0.55 1.01 -0.27 -0.71 121.20 124.41 1f1u s ILE 241 Ca 0.34 0.61 -0.25 0.00 0.00 0.00 0.00 60.65 61.36 1f1u s ILE 241 Cb 0.20 -4.26 -0.24 0.00 0.01 0.00 0.00 42.46 38.18 1f1u s ILE 241 CO 0.31 -0.57 0.54 -0.08 0.00 0.00 0.00 174.94 175.13 1f1u h GLU 242 N 8.75 0.04 -2.82 2.79 4.81 -1.20 -3.49 114.58 123.46 1f1u h GLU 242 Ca -0.25 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 58.79 1f1u h GLU 242 Cb 1.09 0.02 -0.25 0.00 0.63 0.00 0.00 28.75 30.24 1f1u h GLU 242 CO 0.93 1.03 -0.30 0.50 -0.73 0.00 0.00 179.01 180.44 1f1u s ARG 243 N -2.31 0.41 0.00 1.92 3.52 -1.00 -4.95 118.95 116.54 1f1u s ARG 243 Ca -0.23 0.56 0.00 0.00 -0.13 0.00 0.00 55.73 55.93 1f1u s ARG 243 Cb 0.01 0.15 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 1f1u s ARG 243 CO 0.66 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 175.49 1f1u n GLY 244 N 3.18 -2.36 3.77 8.12 0.00 -1.26 -0.69 105.19 115.96 1f1u n GLY 244 Ca -0.15 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.37 1f1u n GLY 244 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1f1u s PRO 245 N -0.53 3.63 0.35 1.61 0.04 -1.26 -4.95 135.00 133.90 1f1u s PRO 245 Ca 0.00 1.66 -0.09 0.00 0.04 0.00 0.00 61.00 62.61 1f1u s PRO 245 Cb 0.00 -2.23 0.04 0.00 0.04 0.00 0.00 34.50 32.34 1f1u s PRO 245 CO 0.00 -0.63 0.62 0.41 0.04 0.00 0.00 177.00 177.44 1f1u n GLY 246 N 0.27 1.50 3.13 0.56 0.00 -0.82 -4.98 105.19 104.85 1f1u n GLY 246 Ca 0.09 -1.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 1f1u n GLY 246 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1f1u s ARG 247 N -2.35 2.87 0.20 1.61 6.06 -1.26 -0.35 118.95 125.73 1f1u s ARG 247 Ca 0.20 -0.79 -0.30 0.00 -2.50 0.00 0.00 55.73 52.34 1f1u s ARG 247 Cb -0.03 -2.41 -0.08 0.00 0.06 0.00 0.00 34.95 32.49 1f1u s ARG 247 CO 0.14 -0.11 0.93 -1.01 -2.50 0.00 0.00 175.30 172.75 1f1u s HIS 248 N 1.07 3.94 0.01 5.12 3.76 -0.14 -0.19 115.29 128.85 1f1u s HIS 248 Ca -0.01 1.87 -0.25 0.00 -0.15 0.00 0.00 55.06 56.52 1f1u s HIS 248 Cb -0.14 -2.98 -0.15 0.00 1.11 0.00 0.00 32.58 30.41 1f1u s HIS 248 CO -0.07 0.41 1.14 0.78 -0.85 0.00 0.00 174.74 176.15 1f1u h GLY 249 N 4.49 -0.62 -4.99 -2.22 0.00 -1.14 -2.95 103.07 95.63 1f1u h GLY 249 Ca -0.45 0.23 -0.53 0.00 0.00 0.00 0.00 47.33 46.58 1f1u h GLY 249 CO 0.69 -0.23 1.02 0.14 0.00 0.00 0.00 176.54 178.16 1f1u s VAL 250 N -4.55 3.08 0.00 4.60 1.01 -0.62 -1.96 120.40 121.96 1f1u s VAL 250 Ca -0.14 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1f1u s VAL 250 Cb 0.02 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1f1u s VAL 250 CO 0.48 -0.01 0.00 -1.54 0.00 0.00 0.00 175.10 174.03 1f1u n SER 251 N 5.82 0.00 -0.09 3.32 3.41 -1.26 -4.44 113.62 120.38 1f1u n SER 251 Ca 0.16 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.76 1f1u n SER 251 Cb 0.41 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1f1u n SER 251 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1f1u n ASN 252 N 0.00 -5.07 -4.75 4.04 5.15 -0.83 -4.80 115.26 109.00 1f1u n ASN 252 Ca 0.00 0.03 -0.41 0.00 -0.60 0.00 0.00 54.58 53.60 1f1u n ASN 252 Cb 0.00 -2.68 -0.03 0.00 -0.53 0.00 0.00 39.78 36.54 1f1u n ASN 252 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1f1u s ALA 253 N -1.40 3.47 -0.40 5.20 0.00 -1.25 -4.75 121.76 122.64 1f1u s ALA 253 Ca 0.00 1.05 -0.25 0.00 0.00 0.00 0.00 51.96 52.76 1f1u s ALA 253 Cb 0.00 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.71 1f1u s ALA 253 CO 0.00 -0.43 0.89 0.12 0.00 0.00 0.00 175.76 176.34 1f1u s PHE 254 N -0.52 3.04 0.36 0.00 5.36 -0.44 -0.97 117.98 124.81 1f1u s PHE 254 Ca 0.51 0.60 0.09 0.00 -0.96 0.00 0.00 56.93 57.17 1f1u s PHE 254 Cb -0.35 -3.69 -0.07 0.00 -0.34 0.00 0.00 43.02 38.58 1f1u s PHE 254 CO 0.42 -0.89 -0.07 1.52 -1.46 0.00 0.00 175.22 174.74 1f1u s TYR 255 N 3.47 2.43 -0.20 10.12 -0.85 0.53 -1.33 117.35 131.52 1f1u s TYR 255 Ca 0.36 -0.53 -0.11 0.00 -0.52 0.00 0.00 57.07 56.27 1f1u s TYR 255 Cb -0.12 -1.46 0.06 0.00 0.38 0.00 0.00 41.96 40.83 1f1u s TYR 255 CO 0.21 0.56 0.48 -1.17 -1.52 0.00 0.00 175.55 174.11 1f1u s LEU 256 N -3.63 -0.28 -0.15 -3.49 2.96 -0.05 -1.95 118.68 112.10 1f1u s LEU 256 Ca 0.33 1.05 0.00 0.00 -0.22 0.00 0.00 54.13 55.29 1f1u s LEU 256 Cb 0.04 1.62 -0.01 0.00 0.50 0.00 0.00 46.19 48.34 1f1u s LEU 256 CO 0.17 -0.20 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.55 1f1u s TYR 257 N 1.36 2.79 0.28 5.38 2.02 0.14 -0.28 117.35 129.04 1f1u s TYR 257 Ca -0.09 -0.86 0.05 0.00 -0.37 0.00 0.00 57.07 55.80 1f1u s TYR 257 Cb -0.07 -1.87 -0.06 0.00 -0.40 0.00 0.00 41.96 39.56 1f1u s TYR 257 CO -0.13 -0.36 -0.02 0.96 -1.57 0.00 0.00 175.55 174.42 1f1u s ILE 258 N 0.63 1.39 -0.09 2.71 -4.36 -0.14 -0.70 121.20 120.65 1f1u s ILE 258 Ca -0.08 -2.07 0.04 0.00 -0.26 0.00 0.00 60.65 58.29 1f1u s ILE 258 Cb -0.16 -2.50 -0.00 0.00 1.25 0.00 0.00 42.46 41.05 1f1u s ILE 258 CO 0.03 -0.24 -0.24 -0.76 0.24 0.00 0.00 174.94 173.97 1f1u s LEU 259 N -3.42 2.06 1.00 0.37 1.43 0.11 -0.77 118.68 119.47 1f1u s LEU 259 Ca 0.31 -0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 52.71 1f1u s LEU 259 Cb 0.05 -1.37 0.21 0.00 0.03 0.00 0.00 46.19 45.12 1f1u s LEU 259 CO 0.12 0.18 1.27 1.51 0.23 0.00 0.00 176.35 179.65 1f1u s ASP 260 N 0.22 2.73 0.60 2.29 -4.77 0.04 -4.83 116.67 112.95 1f1u s ASP 260 Ca -0.15 0.39 0.31 0.00 -3.30 0.00 0.00 52.55 49.80 1f1u s ASP 260 Cb -0.17 -0.52 1.77 0.00 -1.09 0.00 0.00 42.92 42.91 1f1u s ASP 260 CO 0.07 -2.98 2.15 -0.65 0.70 0.00 0.00 175.17 174.46 1f1u h PRO 261 N -1.81 0.00 -0.33 2.11 0.11 -1.89 0.91 132.00 131.10 1f1u h PRO 261 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1f1u h PRO 261 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1f1u h PRO 261 CO 0.39 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.93 1f1u n ASP 262 N -3.68 3.14 0.00 -2.05 8.00 -1.26 -4.94 116.55 115.76 1f1u n ASP 262 Ca -0.00 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.55 1f1u n ASP 262 Cb 0.26 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1f1u n ASP 262 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f1u n GLY 263 N 1.44 0.79 3.75 0.44 0.00 0.31 -5.02 105.19 106.91 1f1u n GLY 263 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1f1u n GLY 263 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1f1u s HIS 264 N -2.86 3.05 -0.15 1.61 3.76 -1.26 -4.64 115.29 114.80 1f1u s HIS 264 Ca 0.00 1.14 -0.16 0.00 -0.15 0.00 0.00 55.06 55.89 1f1u s HIS 264 Cb 0.00 -3.76 -0.04 0.00 1.11 0.00 0.00 32.58 29.88 1f1u s HIS 264 CO 0.00 -2.39 0.40 0.50 -0.85 0.00 0.00 174.74 172.40 1f1u s ARG 265 N -0.68 4.28 -0.14 1.40 3.52 -1.26 -0.78 118.95 125.28 1f1u s ARG 265 Ca 0.57 0.28 -0.00 0.00 -0.13 0.00 0.00 55.73 56.44 1f1u s ARG 265 Cb -0.41 -3.46 -0.01 0.00 -1.56 0.00 0.00 34.95 29.52 1f1u s ARG 265 CO 0.45 0.14 -0.14 0.42 -0.81 0.00 0.00 175.30 175.36 1f1u s ILE 266 N 0.74 2.90 -0.10 4.11 -1.09 0.05 -2.42 121.20 125.38 1f1u s ILE 266 Ca 0.21 -0.70 -0.14 0.00 -2.23 0.00 0.00 60.65 57.79 1f1u s ILE 266 Cb -0.14 -2.22 -0.05 0.00 -1.58 0.00 0.00 42.46 38.47 1f1u s ILE 266 CO 0.07 0.51 0.33 -0.70 -1.23 0.00 0.00 174.94 173.93 1f1u s GLU 267 N 0.60 4.06 -0.11 2.79 2.12 0.28 -0.96 118.70 127.48 1f1u s GLU 267 Ca -0.08 0.21 0.03 0.00 0.36 0.00 0.00 54.97 55.49 1f1u s GLU 267 Cb -0.16 -3.33 -0.01 0.00 0.26 0.00 0.00 34.13 30.89 1f1u s GLU 267 CO 0.03 0.44 -0.19 0.42 -0.54 0.00 0.00 175.26 175.41 1f1u s ILE 268 N -0.18 2.51 0.25 -3.70 -1.09 0.61 -1.02 121.20 118.59 1f1u s ILE 268 Ca 0.20 -0.86 -0.07 0.00 -2.23 0.00 0.00 60.65 57.68 1f1u s ILE 268 Cb -0.14 -2.00 -0.01 0.00 -1.58 0.00 0.00 42.46 38.72 1f1u s ILE 268 CO 0.08 0.55 0.37 -0.72 -1.23 0.00 0.00 174.94 173.98 1f1u s TYR 269 N 0.24 0.77 0.10 3.97 1.13 -0.24 -0.87 117.35 122.45 1f1u s TYR 269 Ca -0.13 -1.05 -0.08 0.00 -1.41 0.00 0.00 57.07 54.40 1f1u s TYR 269 Cb -0.16 -0.11 -0.01 0.00 -1.10 0.00 0.00 41.96 40.58 1f1u s TYR 269 CO 0.07 -0.91 0.18 -0.08 -2.51 0.00 0.00 175.55 172.30 1f1u s THR 270 N -3.87 0.14 0.00 -3.49 -1.32 -0.44 -1.00 115.64 105.65 1f1u s THR 270 Ca 0.29 -1.29 0.00 0.00 -1.21 0.00 0.00 61.69 59.48 1f1u s THR 270 Cb 0.02 -1.45 0.00 0.00 -1.51 0.00 0.00 72.50 69.56 1f1u s THR 270 CO 0.12 -0.63 0.00 1.67 -2.21 0.00 0.00 174.62 173.58 1f1u n GLN 271 N -0.07 0.00 -4.59 7.08 7.27 -1.26 -1.33 117.38 124.48 1f1u n GLN 271 Ca -0.14 0.36 -0.27 0.00 0.07 0.00 0.00 57.00 57.02 1f1u n GLN 271 Cb 0.62 -0.34 -0.09 0.00 2.41 0.00 0.00 30.24 32.84 1f1u n GLN 271 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1f1u s ASP 272 N 0.00 3.34 0.14 1.69 1.01 -1.26 -4.29 116.67 117.30 1f1u s ASP 272 Ca 0.00 -1.52 -0.06 0.00 0.71 0.00 0.00 52.55 51.68 1f1u s ASP 272 Cb 0.00 0.14 -0.02 0.00 1.01 0.00 0.00 42.92 44.05 1f1u s ASP 272 CO 0.00 -0.71 0.20 -0.72 0.21 0.00 0.00 175.17 174.15 1f1u s TYR 273 N -3.01 0.50 -0.03 4.23 -0.85 -1.26 -5.06 117.35 111.86 1f1u s TYR 273 Ca 0.25 -0.88 -0.30 0.00 -0.52 0.00 0.00 57.07 55.61 1f1u s TYR 273 Cb 0.06 -0.18 -0.03 0.00 0.38 0.00 0.00 41.96 42.18 1f1u s TYR 273 CO 0.12 -0.64 1.10 -0.47 -1.52 0.00 0.00 175.55 174.14 1f1u s TYR 274 N -3.98 3.44 -0.04 -3.49 5.04 -1.26 -3.86 117.35 113.19 1f1u s TYR 274 Ca 0.17 1.45 0.06 0.00 -2.44 0.00 0.00 57.07 56.31 1f1u s TYR 274 Cb 0.05 -3.29 0.09 0.00 0.35 0.00 0.00 41.96 39.16 1f1u s TYR 274 CO -0.01 -0.70 1.01 0.25 -1.34 0.00 0.00 175.55 174.76 1f1u n THR 275 N 4.29 1.18 0.51 4.34 -2.24 -0.80 -4.83 114.28 116.73 1f1u n THR 275 Ca 0.09 -1.30 0.12 0.00 -2.27 0.00 0.00 64.05 60.69 1f1u n THR 275 Cb 0.48 0.30 0.46 0.00 -2.10 0.00 0.00 70.33 69.47 1f1u n THR 275 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f1u n GLY 276 N -0.74 -1.38 3.77 3.38 0.00 -1.26 -4.71 105.19 104.25 1f1u n GLY 276 Ca 0.05 0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1f1u n GLY 276 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1f1u s ASP 277 N -4.12 5.53 0.52 1.61 1.11 -1.26 -4.90 116.67 115.16 1f1u s ASP 277 Ca 0.07 2.13 0.26 0.00 0.18 0.00 0.00 52.55 55.19 1f1u s ASP 277 Cb 0.11 -2.57 1.44 0.00 1.07 0.00 0.00 42.92 42.97 1f1u s ASP 277 CO 0.44 -1.34 2.09 1.55 1.18 0.00 0.00 175.17 179.09 1f1u h PRO 278 N 0.86 0.00 -0.23 8.23 0.13 -2.04 -1.93 132.00 137.02 1f1u h PRO 278 Ca -0.49 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 1f1u h PRO 278 Cb 1.26 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 1f1u h PRO 278 CO 0.56 0.11 -0.15 -0.40 -0.23 0.00 0.00 178.00 177.89 1f1u n ASP 279 N -3.76 2.47 -4.55 1.44 5.75 -1.26 -5.04 116.55 111.60 1f1u n ASP 279 Ca -0.02 -3.65 -0.57 0.00 -0.01 0.00 0.00 54.79 50.54 1f1u n ASP 279 Cb 0.22 -0.58 -0.07 0.00 -1.03 0.00 0.00 41.12 39.65 1f1u n ASP 279 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1f1u n ASN 280 N -1.07 0.72 -4.69 -1.12 5.15 -0.73 -4.80 115.26 108.71 1f1u n ASN 280 Ca 0.27 1.14 -0.42 0.00 -0.60 0.00 0.00 54.58 54.97 1f1u n ASN 280 Cb 0.91 -1.02 -0.03 0.00 -0.53 0.00 0.00 39.78 39.11 1f1u n ASN 280 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1f1u s PRO 281 N 0.46 4.37 0.14 1.20 0.04 -1.26 -4.98 135.00 134.97 1f1u s PRO 281 Ca 0.90 1.66 -0.31 0.00 0.04 0.00 0.00 61.00 63.30 1f1u s PRO 281 Cb -1.17 -3.52 -0.08 0.00 0.04 0.00 0.00 34.50 29.77 1f1u s PRO 281 CO 0.55 -0.40 1.28 0.99 0.04 0.00 0.00 177.00 179.47 1f1u s THR 282 N 2.00 3.51 -0.32 1.26 2.01 -1.26 -4.91 115.64 117.94 1f1u s THR 282 Ca 0.56 1.16 -0.14 0.00 0.31 0.00 0.00 61.69 63.57 1f1u s THR 282 Cb -0.25 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.50 1f1u s THR 282 CO 0.23 0.13 0.34 -0.63 -0.69 0.00 0.00 174.62 174.00 1f1u s ILE 283 N 0.62 5.19 -0.25 1.82 1.01 -0.61 -4.97 121.20 124.01 1f1u s ILE 283 Ca 0.59 0.17 -0.09 0.00 0.00 0.00 0.00 60.65 61.32 1f1u s ILE 283 Cb -0.34 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 1f1u s ILE 283 CO 0.33 0.01 0.12 -0.89 0.00 0.00 0.00 174.94 174.51 1f1u s THR 284 N 1.99 4.83 -0.08 2.92 2.01 -1.26 -1.26 115.64 124.79 1f1u s THR 284 Ca 0.12 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.07 1f1u s THR 284 Cb -0.16 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 1f1u s THR 284 CO 0.11 0.32 0.14 0.26 -0.69 0.00 0.00 174.62 174.76 1f1u s TRP 285 N 1.47 3.55 0.33 4.92 0.52 0.12 -4.96 118.94 124.89 1f1u s TRP 285 Ca 0.06 0.44 -0.27 0.00 0.02 0.00 0.00 56.10 56.36 1f1u s TRP 285 Cb -0.15 -1.89 -0.09 0.00 -1.15 0.00 0.00 33.47 30.19 1f1u s TRP 285 CO 0.06 0.69 1.05 0.34 0.02 0.00 0.00 176.95 179.10 1f1u s ASP 286 N -1.33 7.09 0.59 2.95 2.15 -1.26 -1.06 116.67 125.80 1f1u s ASP 286 Ca 0.19 2.09 0.29 0.00 0.43 0.00 0.00 52.55 55.55 1f1u s ASP 286 Cb -0.12 -2.60 1.74 0.00 -0.30 0.00 0.00 42.92 41.64 1f1u s ASP 286 CO 0.09 -0.26 2.17 -0.37 -0.17 0.00 0.00 175.17 176.63 1f1u h VAL 287 N 2.66 0.49 -0.23 1.11 -1.51 -1.72 -1.41 116.25 115.63 1f1u h VAL 287 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1f1u h VAL 287 Cb 1.21 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1f1u h VAL 287 CO 0.65 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 178.40 1f1u n HIS 288 N -3.81 0.29 -2.74 5.19 8.25 -1.26 -4.83 115.22 116.31 1f1u n HIS 288 Ca -0.01 -0.14 -0.42 0.00 -0.26 0.00 0.00 57.72 56.89 1f1u n HIS 288 Cb 0.21 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.29 1f1u n HIS 288 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1f1u s ASP 289 N -1.65 6.30 0.55 0.41 -1.08 -0.53 -4.89 116.67 115.77 1f1u s ASP 289 Ca 0.35 -0.39 0.22 0.00 -0.52 0.00 0.00 52.55 52.20 1f1u s ASP 289 Cb 0.21 -2.48 1.46 0.00 -1.46 0.00 0.00 42.92 40.65 1f1u s ASP 289 CO 0.30 -1.43 2.16 0.78 0.52 0.00 0.00 175.17 177.50 1f1u h ASN 290 N 9.53 0.00 0.54 -0.34 2.35 -1.88 -1.36 115.58 124.43 1f1u h ASN 290 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1f1u h ASN 290 Cb 1.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.44 1f1u h ASN 290 CO 1.16 0.00 0.00 1.56 -1.65 0.00 0.00 177.43 178.50 1f1u h GLN 291 N 0.00 0.00 -0.57 0.81 4.20 -1.91 -1.00 115.11 116.65 1f1u h GLN 291 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1f1u h GLN 291 Cb 0.14 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 1f1u h GLN 291 CO -0.00 0.00 0.35 0.07 -0.67 0.00 0.00 178.83 178.58 1f1u h ARG 292 N 0.00 0.75 0.04 1.46 0.11 -1.59 -2.44 114.38 112.71 1f1u h ARG 292 Ca 0.00 -0.05 -0.18 0.00 0.10 0.00 0.00 59.98 59.85 1f1u h ARG 292 Cb 0.27 -0.17 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 1f1u h ARG 292 CO 0.00 0.52 -0.93 0.00 0.10 0.00 0.00 179.97 179.65 1f1u h ARG 293 N 0.77 0.08 -2.99 0.08 3.08 -1.40 -1.59 114.38 112.41 1f1u h ARG 293 Ca 0.21 -0.13 -0.39 0.00 0.07 0.00 0.00 59.98 59.73 1f1u h ARG 293 Cb -0.06 0.05 -0.39 0.00 0.08 0.00 0.00 29.97 29.65 1f1u h ARG 293 CO -0.04 1.06 -0.71 -0.51 -1.07 0.00 0.00 179.97 178.70 1f1u s ASP 294 N -6.73 1.74 0.50 7.04 1.01 -0.87 -4.19 116.67 115.17 1f1u s ASP 294 Ca -0.23 -0.29 0.15 0.00 0.71 0.00 0.00 52.55 52.89 1f1u s ASP 294 Cb 0.03 -0.03 1.20 0.00 1.01 0.00 0.00 42.92 45.13 1f1u s ASP 294 CO 0.68 -0.31 2.11 -0.25 0.21 0.00 0.00 175.17 177.60 1f1u h TRP 295 N 8.39 0.10 -0.01 4.23 2.91 -0.59 -2.41 115.95 128.57 1f1u h TRP 295 Ca -0.15 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.88 1f1u h TRP 295 Cb 1.14 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.76 1f1u h TRP 295 CO 0.24 0.06 -0.50 0.91 -1.03 0.00 0.00 178.44 178.12 1f1u n TRP 296 N -4.51 0.00 -0.64 2.65 8.01 -1.26 -4.95 117.44 116.74 1f1u n TRP 296 Ca -0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1f1u n TRP 296 Cb 0.15 -0.05 0.00 0.00 -2.01 0.00 0.00 31.31 29.40 1f1u n TRP 296 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1f1u n GLY 297 N 1.42 0.65 3.52 6.99 0.00 -0.91 -5.02 105.19 111.84 1f1u n GLY 297 Ca 0.09 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1f1u n GLY 297 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f1u n ASN 298 N 0.48 0.19 -4.69 1.61 4.13 -1.26 -4.86 115.26 110.86 1f1u n ASN 298 Ca 0.00 1.03 -0.40 0.00 1.68 0.00 0.00 54.58 56.90 1f1u n ASN 298 Cb 0.00 -1.20 0.03 0.00 -1.54 0.00 0.00 39.78 37.07 1f1u n ASN 298 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1f1u n PRO 299 N 0.56 1.58 -2.12 3.52 -0.02 -1.26 -4.92 135.00 132.35 1f1u n PRO 299 Ca 0.11 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.76 1f1u n PRO 299 Cb 0.36 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 1f1u n PRO 299 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1f1u s VAL 300 N -1.30 2.88 -0.38 -1.45 1.01 -1.26 -5.01 120.40 114.90 1f1u s VAL 300 Ca 0.68 0.77 -0.09 0.00 0.00 0.00 0.00 61.98 63.33 1f1u s VAL 300 Cb -0.46 -3.49 0.04 0.00 0.00 0.00 0.00 36.38 32.47 1f1u s VAL 300 CO 0.53 0.14 0.19 -0.69 0.00 0.00 0.00 175.10 175.27 1f1u s VAL 301 N -0.26 4.31 0.33 2.92 1.01 -1.26 -5.00 120.40 122.45 1f1u s VAL 301 Ca 0.56 -1.05 0.08 0.00 0.00 0.00 0.00 61.98 61.57 1f1u s VAL 301 Cb -0.39 -3.46 0.32 0.00 0.00 0.00 0.00 36.38 32.84 1f1u s VAL 301 CO 0.44 -0.28 1.83 -0.65 0.00 0.00 0.00 175.10 176.43 1f1u h PRO 302 N 8.38 0.72 0.00 2.72 0.11 -1.97 -2.29 132.00 139.67 1f1u h PRO 302 Ca -0.24 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1f1u h PRO 302 Cb 1.09 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1f1u h PRO 302 CO 0.67 0.47 -0.06 0.66 -0.21 0.00 0.00 178.00 179.54 1f1u h SER 303 N 0.74 0.00 0.63 -2.05 4.64 -1.96 -0.34 113.55 115.20 1f1u h SER 303 Ca 0.50 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1f1u h SER 303 Cb 0.80 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1f1u h SER 303 CO -0.27 0.06 -0.01 -0.25 -0.87 0.00 0.00 176.83 175.49 1f1u h TRP 304 N 0.00 0.00 -0.01 4.77 7.01 -1.73 -0.03 115.95 125.96 1f1u h TRP 304 Ca -0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1f1u h TRP 304 Cb 0.16 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.22 1f1u h TRP 304 CO 0.00 0.01 -0.50 0.66 -2.79 0.00 0.00 178.44 175.83 1f1u n TYR 305 N -3.14 0.00 -0.02 2.65 4.01 -0.15 -4.61 117.16 115.91 1f1u n TYR 305 Ca -0.01 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.71 1f1u n TYR 305 Cb 0.22 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.23 1f1u n TYR 305 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1f1u n THR 306 N -0.31 0.24 -3.69 -0.72 -2.24 -0.85 -5.05 114.28 101.66 1f1u n THR 306 Ca 0.07 -0.13 -0.37 0.00 -2.27 0.00 0.00 64.05 61.35 1f1u n THR 306 Cb 0.39 -0.83 -0.06 0.00 -2.10 0.00 0.00 70.33 67.73 1f1u n THR 306 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1f1u s GLU 307 N -2.08 3.75 0.06 -0.78 0.41 -0.08 -5.07 118.70 114.90 1f1u s GLU 307 Ca -0.03 0.10 -0.26 0.00 -0.41 0.00 0.00 54.97 54.37 1f1u s GLU 307 Cb 0.01 -3.24 0.08 0.00 -1.78 0.00 0.00 34.13 29.20 1f1u s GLU 307 CO 0.13 0.66 0.69 0.00 -0.49 0.00 0.00 175.26 176.25 1f1u s ALA 308 N -0.82 -1.70 0.31 5.21 0.00 -1.26 -4.84 121.76 118.66 1f1u s ALA 308 Ca 0.18 0.85 -0.21 0.00 0.00 0.00 0.00 51.96 52.78 1f1u s ALA 308 Cb -0.14 0.50 -0.09 0.00 0.00 0.00 0.00 23.12 23.38 1f1u s ALA 308 CO 0.07 -0.63 0.83 -1.12 0.00 0.00 0.00 175.76 174.91 1f1u s SER 309 N -2.22 7.05 0.77 0.00 0.01 0.18 -4.78 113.70 114.72 1f1u s SER 309 Ca -0.02 1.55 -0.13 0.00 1.31 0.00 0.00 55.95 58.66 1f1u s SER 309 Cb -0.01 -2.47 0.06 0.00 0.21 0.00 0.00 66.02 63.81 1f1u s SER 309 CO -0.06 -0.12 1.17 -0.76 0.41 0.00 0.00 173.24 173.89 1f1u s LEU 310 N -2.42 3.18 0.22 2.44 1.43 -1.26 -0.22 118.68 122.04 1f1u s LEU 310 Ca 0.51 2.22 0.11 0.00 -1.03 0.00 0.00 54.13 55.94 1f1u s LEU 310 Cb -0.14 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.46 1f1u s LEU 310 CO 0.20 -2.38 -0.22 0.68 0.23 0.00 0.00 176.35 174.86 1f1u s VAL 311 N -2.28 2.31 0.15 -1.59 -7.23 -1.26 -0.19 120.40 110.32 1f1u s VAL 311 Ca 0.70 -2.14 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 1f1u s VAL 311 Cb -0.25 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1f1u s VAL 311 CO 0.49 -0.23 0.26 -0.76 -0.31 0.00 0.00 175.10 174.54 1f1u s LEU 312 N -2.93 4.25 0.00 1.32 1.43 0.10 -0.28 118.68 122.56 1f1u s LEU 312 Ca 0.23 0.12 -0.07 0.00 -1.03 0.00 0.00 54.13 53.38 1f1u s LEU 312 Cb -0.07 -2.83 0.13 0.00 0.03 0.00 0.00 46.19 43.46 1f1u s LEU 312 CO 0.11 0.06 0.83 -0.90 0.23 0.00 0.00 176.35 176.67 1f1u n ASP 313 N -0.51 0.42 0.00 2.29 5.68 0.94 -4.20 116.55 121.17 1f1u n ASP 313 Ca -0.07 -1.52 0.11 0.00 -0.50 0.00 0.00 54.79 52.81 1f1u n ASP 313 Cb 0.54 -0.60 0.54 0.00 -1.14 0.00 0.00 41.12 40.46 1f1u n ASP 313 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1f1u n LEU 314 N 0.00 0.00 -0.73 -2.12 4.77 -1.26 -1.72 117.00 115.93 1f1u n LEU 314 Ca 0.11 0.36 0.12 0.00 -0.03 0.00 0.00 56.01 56.58 1f1u n LEU 314 Cb 0.40 -0.36 0.33 0.00 -2.33 0.00 0.00 43.42 41.46 1f1u n LEU 314 CO 0.29 -0.09 0.76 0.47 -1.33 0.00 0.00 177.39 177.49 1f1u n ASP 315 N -1.36 2.26 0.00 -1.43 8.00 -1.26 -4.94 116.55 117.81 1f1u n ASP 315 Ca 0.09 -1.76 0.00 0.00 0.71 0.00 0.00 54.79 53.83 1f1u n ASP 315 Cb 0.21 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1f1u n ASP 315 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f1u n GLY 316 N 1.27 0.56 3.78 0.44 0.00 -0.70 -5.06 105.19 105.48 1f1u n GLY 316 Ca 0.17 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1f1u n GLY 316 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f1u s ASN 317 N -2.24 5.67 0.44 1.61 0.01 -1.26 -4.85 114.94 114.32 1f1u s ASN 317 Ca 0.00 0.12 -0.26 0.00 -0.71 0.00 0.00 52.86 52.01 1f1u s ASN 317 Cb 0.00 -1.61 -0.09 0.00 0.41 0.00 0.00 41.25 39.96 1f1u s ASN 317 CO 0.00 0.25 1.44 -2.84 -1.51 0.00 0.00 177.10 174.44 1f1u s PRO 318 N -1.90 3.77 0.08 -0.60 0.02 -1.26 -0.04 135.00 135.07 1f1u s PRO 318 Ca 0.25 2.45 -0.30 0.00 0.02 0.00 0.00 61.00 63.42 1f1u s PRO 318 Cb -0.12 -2.72 -0.05 0.00 0.02 0.00 0.00 34.50 31.63 1f1u s PRO 318 CO 0.16 -0.77 1.03 -0.65 -0.33 0.00 0.00 177.00 176.45 1f1u s GLN 319 N -2.38 4.59 0.51 5.54 -1.52 0.61 -4.73 119.66 122.28 1f1u s GLN 319 Ca 0.59 1.55 -0.23 0.00 -1.95 0.00 0.00 55.36 55.32 1f1u s GLN 319 Cb -0.44 -3.38 -0.06 0.00 -0.22 0.00 0.00 33.01 28.91 1f1u s GLN 319 CO 0.58 0.03 1.36 -2.30 -0.25 0.00 0.00 175.29 174.71 1f1u n PRO 320 N 3.24 1.86 -3.15 2.91 -0.02 -1.26 -4.76 135.00 133.82 1f1u n PRO 320 Ca 0.05 0.67 -0.40 0.00 -2.02 0.00 0.00 63.50 61.81 1f1u n PRO 320 Cb 0.49 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.34 1f1u n PRO 320 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1f1u s VAL 321 N -1.26 5.06 -0.15 -1.45 1.01 -1.26 -4.38 120.40 117.97 1f1u s VAL 321 Ca 0.68 1.18 -0.18 0.00 0.00 0.00 0.00 61.98 63.65 1f1u s VAL 321 Cb -0.43 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1f1u s VAL 321 CO 0.52 0.18 0.50 -0.63 0.00 0.00 0.00 175.10 175.67 1f1u s ILE 322 N 1.46 5.15 -1.70 2.22 -1.09 0.53 -4.88 121.20 122.89 1f1u s ILE 322 Ca 0.30 0.97 0.14 0.00 -2.23 0.00 0.00 60.65 59.83 1f1u s ILE 322 Cb -0.16 -3.84 0.11 0.00 -1.58 0.00 0.00 42.46 36.99 1f1u s ILE 322 CO 0.12 0.26 0.93 0.52 -1.23 0.00 0.00 174.94 175.54