#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f1u s PHE 4 N 0.00 2.87 0.20 1.20 0.08 -1.26 -4.91 117.98 116.16 1f1u s PHE 4 Ca 0.00 1.56 -0.30 0.00 0.12 0.00 0.00 56.93 58.32 1f1u s PHE 4 Cb 0.00 -3.20 -0.08 0.00 -0.57 0.00 0.00 43.02 39.17 1f1u s PHE 4 CO 0.00 -1.19 1.21 0.08 -0.10 0.00 0.00 175.22 175.22 1f1u s VAL 5 N -1.82 3.47 0.72 -0.44 1.01 -1.26 -4.97 120.40 117.10 1f1u s VAL 5 Ca 0.68 1.26 -0.15 0.00 0.00 0.00 0.00 61.98 63.78 1f1u s VAL 5 Cb -0.21 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.39 1f1u s VAL 5 CO 0.25 0.21 1.18 -2.16 0.00 0.00 0.00 175.10 174.59 1f1u s PRO 6 N -0.41 2.27 -0.31 2.72 0.04 -1.26 -4.89 135.00 133.17 1f1u s PRO 6 Ca 0.52 1.67 -0.22 0.00 0.04 0.00 0.00 61.00 63.02 1f1u s PRO 6 Cb -0.33 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.34 1f1u s PRO 6 CO 0.38 -1.72 0.70 0.99 0.04 0.00 0.00 177.00 177.39 1f1u s THR 7 N -2.07 4.87 0.67 1.26 2.01 -1.26 -5.01 115.64 116.10 1f1u s THR 7 Ca 0.73 1.00 -0.17 0.00 0.31 0.00 0.00 61.69 63.56 1f1u s THR 7 Cb -0.27 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.18 1f1u s THR 7 CO 0.44 -0.19 1.22 -2.84 -0.69 0.00 0.00 174.62 172.57 1f1u s PRO 8 N 2.76 2.52 0.51 4.92 0.02 -1.26 -4.94 135.00 139.54 1f1u s PRO 8 Ca 0.28 1.84 0.30 0.00 0.02 0.00 0.00 61.00 63.44 1f1u s PRO 8 Cb -0.15 -1.87 1.01 0.00 0.02 0.00 0.00 34.50 33.51 1f1u s PRO 8 CO 0.12 -1.56 1.85 0.66 -0.33 0.00 0.00 177.00 177.74 1f1u h SER 9 N 0.28 0.00 -3.12 2.53 4.64 -1.97 -3.45 113.55 112.46 1f1u h SER 9 Ca -0.49 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.31 1f1u h SER 9 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 1f1u h SER 9 CO 0.52 0.02 -0.18 0.68 -0.87 0.00 0.00 176.83 177.00 1f1u s VAL 10 N -3.52 5.06 0.59 0.95 -7.23 -1.26 -5.05 120.40 109.95 1f1u s VAL 10 Ca 0.03 -0.04 -0.18 0.00 -1.81 0.00 0.00 61.98 59.98 1f1u s VAL 10 Cb 0.08 -3.74 -0.03 0.00 0.56 0.00 0.00 36.38 33.25 1f1u s VAL 10 CO 0.59 -0.30 1.13 -2.16 -0.31 0.00 0.00 175.10 174.05 1f1u s PRO 11 N -3.53 3.10 0.62 4.82 0.04 -1.26 -4.93 135.00 133.86 1f1u s PRO 11 Ca 0.43 1.56 -0.17 0.00 0.04 0.00 0.00 61.00 62.86 1f1u s PRO 11 Cb -0.11 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 1f1u s PRO 11 CO 0.30 -1.04 1.13 0.00 0.04 0.00 0.00 177.00 177.43 1f1u s ALA 12 N -1.95 2.52 0.52 8.56 0.00 -1.26 -4.74 121.76 125.41 1f1u s ALA 12 Ca 0.71 0.71 -0.22 0.00 0.00 0.00 0.00 51.96 53.16 1f1u s ALA 12 Cb -0.23 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.47 1f1u s ALA 12 CO 0.33 -1.14 1.27 -1.25 0.00 0.00 0.00 175.76 174.97 1f1u s PRO 13 N -3.73 3.37 -0.64 0.00 0.04 -1.26 -4.91 135.00 127.86 1f1u s PRO 13 Ca 0.70 2.03 -0.26 0.00 0.04 0.00 0.00 61.00 63.52 1f1u s PRO 13 Cb -0.23 -2.29 0.04 0.00 0.04 0.00 0.00 34.50 32.05 1f1u s PRO 13 CO 0.36 -0.95 1.12 0.34 0.04 0.00 0.00 177.00 177.92 1f1u s ASP 14 N -1.15 6.29 -0.11 6.66 -1.08 -1.26 -4.93 116.67 121.08 1f1u s ASP 14 Ca 0.69 -0.36 -0.19 0.00 -0.52 0.00 0.00 52.55 52.16 1f1u s ASP 14 Cb -0.35 -2.51 -0.04 0.00 -1.46 0.00 0.00 42.92 38.56 1f1u s ASP 14 CO 0.42 -1.53 0.53 -0.63 0.52 0.00 0.00 175.17 174.48 1f1u s ILE 15 N 4.82 5.15 -0.17 4.11 1.01 -1.26 -1.15 121.20 133.71 1f1u s ILE 15 Ca 0.34 1.06 -0.22 0.00 0.00 0.00 0.00 60.65 61.83 1f1u s ILE 15 Cb -0.10 -3.87 -0.19 0.00 0.01 0.00 0.00 42.46 38.31 1f1u s ILE 15 CO 0.18 0.30 0.37 0.58 0.00 0.00 0.00 174.94 176.38 1f1u h VAL 16 N 4.75 1.10 -1.94 2.92 2.07 -1.01 -3.45 116.25 120.69 1f1u h VAL 16 Ca -0.41 -2.06 0.22 0.00 0.82 0.00 0.00 66.70 65.27 1f1u h VAL 16 Cb 1.18 2.31 -0.12 0.00 -1.52 0.00 0.00 31.29 33.14 1f1u h VAL 16 CO 0.76 0.37 0.63 0.00 0.02 0.00 0.00 177.57 179.35 1f1u s ARG 17 N -2.24 0.75 0.24 1.57 1.70 -1.17 -2.92 118.95 116.88 1f1u s ARG 17 Ca -0.22 -0.38 -0.30 0.00 -0.47 0.00 0.00 55.73 54.37 1f1u s ARG 17 Cb 0.02 0.28 -0.10 0.00 -0.57 0.00 0.00 34.95 34.58 1f1u s ARG 17 CO 0.55 -0.34 1.43 0.00 -1.08 0.00 0.00 175.30 175.87 1f1u n ALA 19 N 2.37 2.03 -3.66 0.00 0.00 0.09 -4.82 120.51 116.51 1f1u n ALA 19 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 1f1u n ALA 19 Cb 0.40 0.41 -0.02 0.00 0.00 0.00 0.00 19.45 20.25 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 -1.83 -0.31 -0.01 0.00 -0.85 -1.02 -4.37 117.35 108.96 1f1u s TYR 20 Ca 0.00 -0.01 0.05 0.00 -0.52 0.00 0.00 57.07 56.59 1f1u s TYR 20 Cb 0.00 0.63 -0.01 0.00 0.38 0.00 0.00 41.96 42.96 1f1u s TYR 20 CO 0.00 -0.98 -0.18 1.41 -1.52 0.00 0.00 175.55 174.28 1f1u s MET 21 N -3.68 1.43 -0.32 -3.49 -2.45 -0.82 -0.76 119.30 109.20 1f1u s MET 21 Ca 0.07 -0.65 -0.09 0.00 -1.25 0.00 0.00 55.69 53.77 1f1u s MET 21 Cb -0.03 -1.38 0.00 0.00 1.25 0.00 0.00 34.83 34.67 1f1u s MET 21 CO -0.02 0.38 0.15 -2.00 1.05 0.00 0.00 175.02 174.58 1f1u s GLU 22 N -0.45 3.18 -0.15 4.11 2.12 -0.57 -1.27 118.70 125.67 1f1u s GLU 22 Ca 0.07 -0.82 -0.02 0.00 0.36 0.00 0.00 54.97 54.55 1f1u s GLU 22 Cb -0.07 -3.57 -0.02 0.00 0.26 0.00 0.00 34.13 30.73 1f1u s GLU 22 CO -0.01 -0.48 -0.07 0.42 -0.54 0.00 0.00 175.26 174.58 1f1u s ILE 23 N 1.58 3.59 -0.13 -3.70 1.01 0.63 -0.39 121.20 123.79 1f1u s ILE 23 Ca 0.04 -0.47 -0.17 0.00 0.00 0.00 0.00 60.65 60.05 1f1u s ILE 23 Cb -0.18 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1f1u s ILE 23 CO 0.06 0.50 0.41 -0.69 0.00 0.00 0.00 174.94 175.22 1f1u s VAL 24 N 0.41 5.22 0.13 2.92 1.01 0.95 -0.80 120.40 130.24 1f1u s VAL 24 Ca -0.06 0.82 0.11 0.00 0.00 0.00 0.00 61.98 62.84 1f1u s VAL 24 Cb -0.15 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1f1u s VAL 24 CO 0.04 0.36 -0.26 0.68 0.00 0.00 0.00 175.10 175.92 1f1u s VAL 25 N 0.49 2.18 -0.16 2.92 -7.23 -0.16 -2.60 120.40 115.84 1f1u s VAL 25 Ca 0.23 -1.76 0.17 0.00 -1.81 0.00 0.00 61.98 58.80 1f1u s VAL 25 Cb -0.14 -1.94 -0.00 0.00 0.56 0.00 0.00 36.38 34.85 1f1u s VAL 25 CO 0.08 0.04 1.19 0.71 -0.31 0.00 0.00 175.10 176.81 1f1u h THR 26 N 3.82 0.62 -2.92 5.32 1.35 -1.87 -0.78 112.91 118.46 1f1u h THR 26 Ca -0.50 -1.99 -0.58 0.00 -0.55 0.00 0.00 66.41 62.80 1f1u h THR 26 Cb 1.18 2.19 -0.40 0.00 -1.73 0.00 0.00 68.15 69.39 1f1u h THR 26 CO 0.40 0.36 -0.78 -0.62 -0.25 0.00 0.00 175.52 174.63 1f1u s ASP 27 N -6.11 3.62 0.24 5.36 -1.08 -1.26 -4.71 116.67 112.72 1f1u s ASP 27 Ca 0.01 -1.87 -0.06 0.00 -0.52 0.00 0.00 52.55 50.12 1f1u s ASP 27 Cb 0.08 -0.68 0.34 0.00 -1.46 0.00 0.00 42.92 41.20 1f1u s ASP 27 CO 0.77 -0.37 1.82 0.25 0.52 0.00 0.00 175.17 178.16 1f1u h LEU 28 N 7.67 0.70 -0.57 -1.34 5.85 -1.94 -0.78 115.31 124.90 1f1u h LEU 28 Ca -0.08 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1f1u h LEU 28 Cb 0.99 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 1f1u h LEU 28 CO 0.42 0.43 0.34 0.00 -0.34 0.00 0.00 178.44 179.29 1f1u h ALA 29 N 1.41 0.73 -0.25 1.25 0.00 -1.95 0.20 119.26 120.65 1f1u h ALA 29 Ca 0.37 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1f1u h ALA 29 Cb 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1f1u h ALA 29 CO -0.21 0.21 -0.27 -0.22 0.00 0.00 0.00 179.25 178.77 1f1u h LYS 30 N 0.77 0.49 -0.23 0.00 3.64 -1.83 -2.07 116.57 117.35 1f1u h LYS 30 Ca 0.20 -0.19 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 1f1u h LYS 30 Cb -0.01 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1f1u h LYS 30 CO -0.04 0.72 -0.40 0.77 -2.27 0.00 0.00 179.45 178.23 1f1u h SER 31 N 0.43 0.56 -0.67 4.20 0.02 -0.71 -2.58 113.55 114.81 1f1u h SER 31 Ca 0.06 -0.25 -0.05 0.00 -0.84 0.00 0.00 61.79 60.71 1f1u h SER 31 Cb 0.70 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 1f1u h SER 31 CO 0.05 0.90 0.23 -0.09 -1.14 0.00 0.00 176.83 176.79 1f1u h ARG 32 N 0.44 1.05 -0.79 3.45 2.43 -0.20 -0.19 114.38 120.57 1f1u h ARG 32 Ca 0.04 -0.20 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1f1u h ARG 32 Cb 0.89 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.24 1f1u h ARG 32 CO 0.08 0.89 0.51 1.49 -1.51 0.00 0.00 179.97 181.42 1f1u h GLU 33 N 1.02 0.99 0.35 0.20 4.81 -1.00 0.52 114.58 121.47 1f1u h GLU 33 Ca 0.23 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1f1u h GLU 33 Cb 0.26 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1f1u h GLU 33 CO -0.01 0.65 -0.17 0.35 -0.73 0.00 0.00 179.01 179.10 1f1u h PHE 34 N 1.02 -0.44 -0.07 0.92 3.57 -1.11 0.66 116.94 121.48 1f1u h PHE 34 Ca 0.30 -0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.63 1f1u h PHE 34 Cb -0.05 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1f1u h PHE 34 CO -0.02 -0.11 -0.66 1.88 -2.23 0.00 0.00 178.31 177.17 1f1u h TYR 35 N -0.84 0.39 0.00 0.41 0.05 -0.99 -0.36 116.97 115.63 1f1u h TYR 35 Ca -0.05 -0.16 -0.35 0.00 0.05 0.00 0.00 58.73 58.22 1f1u h TYR 35 Cb 0.53 -0.06 -0.05 0.00 1.01 0.00 0.00 36.73 38.15 1f1u h TYR 35 CO 0.02 0.87 -2.13 0.28 -1.05 0.00 0.00 178.16 176.15 1f1u n VAL 36 N -3.84 1.52 0.04 -2.88 0.31 0.16 -1.71 118.33 111.93 1f1u n VAL 36 Ca -0.03 -0.25 -0.19 0.00 -0.01 0.00 0.00 64.34 63.86 1f1u n VAL 36 Cb 0.66 -2.00 -0.09 0.00 -0.91 0.00 0.00 33.84 31.49 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 0.87 0.00 4.52 3.32 -1.17 0.23 116.42 123.19 1f1u h ASP 37 Ca -0.52 -0.69 -0.01 0.00 0.02 0.00 0.00 57.03 55.83 1f1u h ASP 37 Cb 1.45 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 1f1u h ASP 37 CO -0.32 1.49 -0.06 0.58 -1.72 0.00 0.00 179.24 179.22 1f1u h VAL 38 N 0.39 0.82 0.00 -1.35 2.07 -0.77 -3.39 116.25 114.02 1f1u h VAL 38 Ca -0.12 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.77 1f1u h VAL 38 Cb 1.67 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1f1u h VAL 38 CO 0.20 0.28 -0.31 -0.07 0.02 0.00 0.00 177.57 177.68 1f1u h LEU 39 N -1.00 0.00 0.03 2.57 3.38 -1.16 -3.48 115.31 115.65 1f1u h LEU 39 Ca -0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1f1u h LEU 39 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1f1u h LEU 39 CO -0.01 0.01 -0.01 0.61 0.09 0.00 0.00 178.44 179.13 1f1u n GLY 40 N 1.17 0.46 3.75 0.83 0.00 0.07 -4.57 105.19 106.90 1f1u n GLY 40 Ca 0.03 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.14 3.51 -0.12 0.99 1.43 -0.69 -4.88 118.68 118.78 1f1u s LEU 41 Ca 0.00 2.26 -0.20 0.00 -1.03 0.00 0.00 54.13 55.16 1f1u s LEU 41 Cb 0.00 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.60 1f1u s LEU 41 CO 0.00 -1.75 0.57 -1.00 0.23 0.00 0.00 176.35 174.40 1f1u s HIS 42 N -1.91 3.50 -0.30 0.29 3.76 -0.59 -4.64 115.29 115.40 1f1u s HIS 42 Ca 0.73 0.99 -0.29 0.00 -0.15 0.00 0.00 55.06 56.34 1f1u s HIS 42 Cb -0.27 -2.67 0.01 0.00 1.11 0.00 0.00 32.58 30.76 1f1u s HIS 42 CO 0.38 0.07 1.14 0.08 -0.85 0.00 0.00 174.74 175.56 1f1u s VAL 43 N 0.95 4.41 -0.08 -0.90 1.01 -1.26 -0.27 120.40 124.26 1f1u s VAL 43 Ca 0.29 1.63 -0.27 0.00 0.00 0.00 0.00 61.98 63.64 1f1u s VAL 43 Cb -0.16 -4.31 -0.22 0.00 0.00 0.00 0.00 36.38 31.68 1f1u s VAL 43 CO 0.12 -0.43 1.00 0.74 0.00 0.00 0.00 175.10 176.53 1f1u h THR 44 N 5.75 1.52 -2.29 3.92 2.02 -1.04 -3.48 112.91 119.32 1f1u h THR 44 Ca -0.22 -1.68 0.13 0.00 0.77 0.00 0.00 66.41 65.41 1f1u h THR 44 Cb 1.07 2.65 -0.13 0.00 -1.74 0.00 0.00 68.15 70.00 1f1u h THR 44 CO 1.03 0.43 0.50 -1.83 0.37 0.00 0.00 175.52 176.01 1f1u s GLU 45 N -3.25 0.92 0.09 6.66 -1.05 -1.21 -5.04 118.70 115.82 1f1u s GLU 45 Ca -0.17 -0.40 -0.25 0.00 -0.15 0.00 0.00 54.97 54.00 1f1u s GLU 45 Cb -0.01 0.38 0.07 0.00 -0.44 0.00 0.00 34.13 34.14 1f1u s GLU 45 CO 0.66 -0.41 0.65 -1.83 0.95 0.00 0.00 175.26 175.28 1f1u s GLU 46 N -3.16 1.17 0.00 -4.83 -1.05 -1.26 -1.03 118.70 108.54 1f1u s GLU 46 Ca 0.07 -0.28 0.00 0.00 -0.15 0.00 0.00 54.97 54.61 1f1u s GLU 46 Cb -0.01 0.54 0.00 0.00 -0.44 0.00 0.00 34.13 34.22 1f1u s GLU 46 CO -0.06 -0.48 0.00 -0.40 0.95 0.00 0.00 175.26 175.27 1f1u n ASP 47 N -0.05 0.00 0.29 0.83 5.68 -0.06 -5.01 116.55 118.23 1f1u n ASP 47 Ca -0.17 -0.65 0.16 0.00 -0.50 0.00 0.00 54.79 53.63 1f1u n ASP 47 Cb 0.63 0.00 0.88 0.00 -1.14 0.00 0.00 41.12 41.49 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 -3.23 114.58 114.51 1f1u h GLU 48 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1f1u h GLU 48 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1f1u h GLU 48 CO 0.00 0.05 -0.08 0.09 -1.00 0.00 0.00 179.01 178.08 1f1u n ASN 49 N -3.46 0.37 -3.78 1.42 3.02 -1.26 -4.96 115.26 106.62 1f1u n ASN 49 Ca -0.02 -0.69 -0.13 0.00 -0.03 0.00 0.00 54.58 53.72 1f1u n ASN 49 Cb 0.18 0.75 -0.11 0.00 -0.61 0.00 0.00 39.78 40.00 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 -0.96 0.02 -0.06 3.41 2.01 -1.22 -0.96 115.64 117.88 1f1u s THR 50 Ca 0.01 -0.15 0.02 0.00 0.31 0.00 0.00 61.69 61.88 1f1u s THR 50 Cb 0.02 -0.45 0.02 0.00 0.01 0.00 0.00 72.50 72.09 1f1u s THR 50 CO 0.07 -0.08 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.19 1f1u s ILE 51 N -0.27 0.97 -0.23 1.82 1.01 0.21 -0.88 121.20 123.83 1f1u s ILE 51 Ca -0.04 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 1f1u s ILE 51 Cb -0.03 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 1f1u s ILE 51 CO 0.01 0.32 0.04 -0.31 0.00 0.00 0.00 174.94 175.00 1f1u s TYR 52 N 0.70 3.06 0.10 3.97 1.51 -0.20 -0.81 117.35 125.69 1f1u s TYR 52 Ca -0.14 -0.49 0.10 0.00 -1.01 0.00 0.00 57.07 55.54 1f1u s TYR 52 Cb -0.15 -2.19 -0.04 0.00 -0.11 0.00 0.00 41.96 39.48 1f1u s TYR 52 CO 0.03 -0.35 -0.27 -0.51 -1.11 0.00 0.00 175.55 173.34 1f1u s LEU 53 N 1.44 2.27 0.04 -1.29 1.43 -0.17 -0.41 118.68 122.01 1f1u s LEU 53 Ca 0.05 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.44 1f1u s LEU 53 Cb -0.15 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.82 1f1u s LEU 53 CO 0.02 0.20 -0.01 0.00 0.23 0.00 0.00 176.35 176.79 1f1u s ARG 54 N -1.82 0.51 0.81 1.70 1.70 0.63 -0.07 118.95 122.43 1f1u s ARG 54 Ca 0.13 -0.95 -0.11 0.00 -0.47 0.00 0.00 55.73 54.33 1f1u s ARG 54 Cb -0.10 0.18 0.11 0.00 -0.57 0.00 0.00 34.95 34.57 1f1u s ARG 54 CO 0.05 -0.10 1.16 -1.54 -1.08 0.00 0.00 175.30 173.79 1f1u s SER 55 N -2.33 4.24 0.24 -2.89 1.04 -1.26 -1.54 113.70 111.19 1f1u s SER 55 Ca -0.02 0.49 -0.06 0.00 0.48 0.00 0.00 55.95 56.84 1f1u s SER 55 Cb 0.01 -0.91 0.30 0.00 0.10 0.00 0.00 66.02 65.51 1f1u s SER 55 CO -0.06 -2.02 1.87 0.25 0.98 0.00 0.00 173.24 174.25 1f1u h LEU 56 N -1.04 0.90 -3.35 2.42 5.85 -1.34 -2.65 115.31 116.10 1f1u h LEU 56 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1f1u h LEU 56 Cb 1.30 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1f1u h LEU 56 CO 0.56 0.60 0.00 -0.62 -0.34 0.00 0.00 178.44 178.64 1f1u n GLU 57 N -4.57 4.31 -3.26 1.25 1.02 -0.36 -1.84 120.64 117.20 1f1u n GLU 57 Ca 0.12 -3.04 -0.37 0.00 -0.02 0.00 0.00 57.16 53.85 1f1u n GLU 57 Cb 0.12 -2.08 -0.06 0.00 -0.02 0.00 0.00 31.44 29.40 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 -2.30 4.17 -0.01 3.49 2.56 -1.00 -4.83 118.70 120.77 1f1u s GLU 58 Ca 0.53 0.71 0.07 0.00 0.00 0.00 0.00 54.97 56.28 1f1u s GLU 58 Cb 0.37 -3.10 -0.10 0.00 2.00 0.00 0.00 34.13 33.31 1f1u s GLU 58 CO 0.21 0.55 0.18 1.97 -0.56 0.00 0.00 175.26 177.61 1f1u n PHE 59 N 1.30 0.00 -1.43 5.30 -1.74 -1.26 -4.29 117.46 115.33 1f1u n PHE 59 Ca -0.07 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.53 1f1u n PHE 59 Cb 0.51 -0.11 0.16 0.00 1.52 0.00 0.00 39.48 41.56 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 -2.24 1.94 0.28 1.97 -4.36 -1.26 -1.12 121.20 116.41 1f1u s ILE 60 Ca -0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 60.65 60.35 1f1u s ILE 60 Cb 0.04 -2.68 0.21 0.00 1.25 0.00 0.00 42.46 41.28 1f1u s ILE 60 CO 0.28 0.00 1.89 -0.74 0.24 0.00 0.00 174.94 176.60 1f1u h HIS 61 N -1.75 1.02 -2.92 1.37 -0.00 -1.65 -3.42 115.15 107.80 1f1u h HIS 61 Ca -0.50 -0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 59.84 1f1u h HIS 61 Cb 1.32 -0.32 -0.12 0.00 -0.00 0.00 0.00 27.41 28.29 1f1u h HIS 61 CO -0.18 0.73 0.24 -3.38 -0.00 0.00 0.00 177.93 175.34 1f1u s HIS 62 N -5.63 -0.50 -0.06 5.26 0.00 -1.26 -4.74 115.29 108.36 1f1u s HIS 62 Ca -0.11 0.29 0.10 0.00 -3.00 0.00 0.00 55.06 52.33 1f1u s HIS 62 Cb 0.17 0.57 -0.15 0.00 -4.00 0.00 0.00 32.58 29.17 1f1u s HIS 62 CO 0.80 -0.84 0.23 0.09 -1.00 0.00 0.00 174.74 174.03 1f1u n ASN 63 N -0.37 2.53 -3.86 7.38 5.03 0.90 -4.61 115.26 122.27 1f1u n ASN 63 Ca -0.15 -0.07 -0.12 0.00 0.87 0.00 0.00 54.58 55.10 1f1u n ASN 63 Cb 0.64 1.40 -0.13 0.00 -1.02 0.00 0.00 39.78 40.67 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 -3.55 1.84 -0.16 3.41 1.43 -0.70 -1.94 118.68 119.01 1f1u s LEU 64 Ca -0.03 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1f1u s LEU 64 Cb 0.06 0.16 0.02 0.00 0.03 0.00 0.00 46.19 46.46 1f1u s LEU 64 CO 0.40 -0.03 -0.20 -0.69 0.23 0.00 0.00 176.35 176.06 1f1u s VAL 65 N -0.06 1.98 -0.25 -1.59 1.01 -0.40 -0.99 120.40 120.10 1f1u s VAL 65 Ca -0.01 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 60.97 1f1u s VAL 65 Cb -0.01 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1f1u s VAL 65 CO 0.00 0.53 0.13 -0.76 0.00 0.00 0.00 175.10 175.01 1f1u s LEU 66 N 1.11 3.86 -0.11 3.92 1.43 0.01 -0.27 118.68 128.62 1f1u s LEU 66 Ca -0.00 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 1f1u s LEU 66 Cb -0.14 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.04 1f1u s LEU 66 CO -0.08 0.01 -0.21 -0.60 0.23 0.00 0.00 176.35 175.69 1f1u s ARG 67 N 1.39 2.81 0.31 1.70 3.52 0.02 -0.62 118.95 128.09 1f1u s ARG 67 Ca 0.06 -0.79 -0.29 0.00 -0.13 0.00 0.00 55.73 54.58 1f1u s ARG 67 Cb -0.15 -2.20 -0.10 0.00 -1.56 0.00 0.00 34.95 30.95 1f1u s ARG 67 CO 0.06 0.09 1.32 -1.14 -0.81 0.00 0.00 175.30 174.82 1f1u s GLN 68 N 0.56 4.35 0.22 5.12 0.74 -0.14 -0.99 119.66 129.53 1f1u s GLN 68 Ca -0.14 2.21 -0.23 0.00 0.05 0.00 0.00 55.36 57.25 1f1u s GLN 68 Cb -0.17 -3.09 0.04 0.00 1.10 0.00 0.00 33.01 30.90 1f1u s GLN 68 CO 0.05 -0.21 0.85 0.20 -0.55 0.00 0.00 175.29 175.63 1f1u s GLY 69 N -0.33 -0.12 0.35 2.59 0.00 -0.30 -4.84 107.32 104.66 1f1u s GLY 69 Ca 0.51 -0.13 0.18 0.00 0.00 0.00 0.00 44.72 45.28 1f1u s GLY 69 CO 0.50 0.04 1.63 -0.56 0.00 0.00 0.00 173.10 174.72 1f1u h PRO 70 N 2.00 0.00 -3.97 2.90 0.13 -1.93 -3.36 132.00 127.77 1f1u h PRO 70 Ca -0.22 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.42 1f1u h PRO 70 Cb 1.24 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 32.00 1f1u h PRO 70 CO 0.26 0.40 -0.79 0.42 -0.23 0.00 0.00 178.00 178.06 1f1u s ILE 71 N -3.35 0.71 0.24 -3.56 1.01 -1.26 -4.94 121.20 110.04 1f1u s ILE 71 Ca 0.02 -0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.28 1f1u s ILE 71 Cb 0.09 -0.79 -0.10 0.00 0.01 0.00 0.00 42.46 41.67 1f1u s ILE 71 CO 0.70 0.31 1.48 0.00 0.00 0.00 0.00 174.94 177.44 1f1u s ALA 72 N 1.81 3.67 0.01 9.38 0.00 -1.26 -4.78 121.76 130.59 1f1u s ALA 72 Ca 0.05 1.36 -0.29 0.00 0.00 0.00 0.00 51.96 53.08 1f1u s ALA 72 Cb -0.12 -3.58 0.11 0.00 0.00 0.00 0.00 23.12 19.53 1f1u s ALA 72 CO -0.07 -0.78 1.25 0.00 0.00 0.00 0.00 175.76 176.16 1f1u s ALA 73 N 0.24 -2.18 -0.24 0.00 0.00 -1.07 -4.50 121.76 114.01 1f1u s ALA 73 Ca 0.62 0.54 -0.09 0.00 0.00 0.00 0.00 51.96 53.03 1f1u s ALA 73 Cb -0.43 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1f1u s ALA 73 CO 0.41 -1.06 0.12 0.08 0.00 0.00 0.00 175.76 175.30 1f1u s VAL 74 N -2.47 4.87 -0.03 0.00 1.01 0.64 -0.03 120.40 124.40 1f1u s VAL 74 Ca 0.16 0.01 0.12 0.00 0.00 0.00 0.00 61.98 62.27 1f1u s VAL 74 Cb 0.03 -3.27 -0.12 0.00 0.00 0.00 0.00 36.38 33.03 1f1u s VAL 74 CO -0.03 0.34 1.16 0.00 0.00 0.00 0.00 175.10 176.58 1f1u h ALA 75 N 7.79 0.56 -1.64 5.51 0.00 -1.05 0.59 119.26 131.03 1f1u h ALA 75 Ca -0.37 -0.85 0.05 0.00 0.00 0.00 0.00 54.91 53.74 1f1u h ALA 75 Cb 1.18 0.03 -0.25 0.00 0.00 0.00 0.00 17.79 18.75 1f1u h ALA 75 CO 0.61 1.07 0.43 0.00 0.00 0.00 0.00 179.25 181.36 1f1u s ALA 76 N -2.80 -1.94 -0.33 0.00 0.00 -1.17 -4.73 121.76 110.78 1f1u s ALA 76 Ca 0.00 1.83 -0.08 0.00 0.00 0.00 0.00 51.96 53.71 1f1u s ALA 76 Cb 0.09 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.97 1f1u s ALA 76 CO 0.80 -0.26 0.13 -0.06 0.00 0.00 0.00 175.76 176.37 1f1u s PHE 77 N -0.02 3.21 -0.14 0.00 0.40 0.02 -1.51 117.98 119.94 1f1u s PHE 77 Ca 0.02 -1.08 -0.04 0.00 -0.60 0.00 0.00 56.93 55.22 1f1u s PHE 77 Cb -0.04 -2.33 -0.03 0.00 0.51 0.00 0.00 43.02 41.13 1f1u s PHE 77 CO -0.04 -0.64 0.01 0.00 0.70 0.00 0.00 175.22 175.25 1f1u s ALA 78 N 1.49 3.21 -0.05 5.36 0.00 0.06 -0.89 121.76 130.94 1f1u s ALA 78 Ca 0.01 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.22 1f1u s ALA 78 Cb -0.18 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.26 1f1u s ALA 78 CO 0.04 0.31 -0.17 0.71 0.00 0.00 0.00 175.76 176.65 1f1u s TYR 79 N 0.02 2.62 -0.01 0.00 2.02 0.25 -0.73 117.35 121.51 1f1u s TYR 79 Ca 0.03 -0.32 -0.20 0.00 -0.37 0.00 0.00 57.07 56.20 1f1u s TYR 79 Cb -0.13 -1.63 -0.05 0.00 -0.40 0.00 0.00 41.96 39.75 1f1u s TYR 79 CO 0.02 0.06 0.59 0.50 -1.57 0.00 0.00 175.55 175.15 1f1u s ARG 80 N -0.53 4.32 0.40 -0.62 3.52 -0.64 -2.55 118.95 122.86 1f1u s ARG 80 Ca 0.07 0.72 0.08 0.00 -0.13 0.00 0.00 55.73 56.47 1f1u s ARG 80 Cb -0.11 -3.35 -0.01 0.00 -1.56 0.00 0.00 34.95 29.91 1f1u s ARG 80 CO 0.01 0.35 0.42 0.14 -0.81 0.00 0.00 175.30 175.41 1f1u s VAL 81 N -0.12 2.92 -0.07 7.11 -7.23 0.32 -0.38 120.40 122.95 1f1u s VAL 81 Ca 0.31 -1.25 0.24 0.00 -1.81 0.00 0.00 61.98 59.47 1f1u s VAL 81 Cb -0.18 -3.04 0.25 0.00 0.56 0.00 0.00 36.38 33.97 1f1u s VAL 81 CO 0.17 -0.03 1.72 0.50 -0.31 0.00 0.00 175.10 177.15 1f1u h LYS 82 N 0.96 0.00 -2.82 4.82 3.64 -1.46 -3.42 116.57 118.29 1f1u h LYS 82 Ca -0.42 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.04 1f1u h LYS 82 Cb 1.27 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.01 1f1u h LYS 82 CO 0.54 0.19 0.29 -1.54 -2.27 0.00 0.00 179.45 176.66 1f1u s SER 83 N -6.16 -0.30 0.32 4.20 1.04 -1.26 -5.02 113.70 106.52 1f1u s SER 83 Ca 0.03 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.09 1f1u s SER 83 Cb 0.08 0.64 0.68 0.00 0.10 0.00 0.00 66.02 67.51 1f1u s SER 83 CO 0.65 -1.15 1.88 -0.65 0.98 0.00 0.00 173.24 174.95 1f1u h PRO 84 N 2.00 0.83 -0.05 4.02 0.11 -1.96 -1.17 132.00 135.78 1f1u h PRO 84 Ca -0.23 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.85 1f1u h PRO 84 Cb 1.26 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1f1u h PRO 84 CO 0.27 0.55 0.04 0.00 -0.21 0.00 0.00 178.00 178.65 1f1u h ALA 85 N 1.56 1.94 0.00 -0.75 0.00 -2.00 -1.45 119.26 118.56 1f1u h ALA 85 Ca 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1f1u h ALA 85 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1f1u h ALA 85 CO -0.20 -0.07 0.00 0.93 0.00 0.00 0.00 179.25 179.91 1f1u h GLU 86 N 0.00 0.00 -0.22 0.00 4.39 -1.59 -1.08 114.58 116.07 1f1u h GLU 86 Ca 0.03 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 1f1u h GLU 86 Cb 0.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1f1u h GLU 86 CO -0.00 0.00 -0.17 0.28 -1.16 0.00 0.00 179.01 177.96 1f1u h VAL 87 N 0.00 1.32 -0.85 3.13 2.07 -1.34 -0.06 116.25 120.52 1f1u h VAL 87 Ca 0.00 -1.31 0.04 0.00 0.82 0.00 0.00 66.70 66.25 1f1u h VAL 87 Cb 0.54 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 1f1u h VAL 87 CO 0.00 0.40 0.54 0.44 0.02 0.00 0.00 177.57 178.97 1f1u h ASP 88 N 0.20 0.89 -0.75 0.57 3.32 -1.48 -1.61 116.42 117.56 1f1u h ASP 88 Ca 0.04 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 1f1u h ASP 88 Cb 0.70 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1f1u h ASP 88 CO 0.05 0.60 0.27 0.00 -1.72 0.00 0.00 179.24 178.44 1f1u h ALA 89 N 1.36 1.05 -0.27 3.45 0.00 -0.99 -0.61 119.26 123.25 1f1u h ALA 89 Ca 0.34 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1f1u h ALA 89 Cb 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1f1u h ALA 89 CO -0.13 0.66 0.14 0.00 0.00 0.00 0.00 179.25 179.92 1f1u h ALA 90 N 1.18 0.34 -0.57 0.00 0.00 -0.60 -0.39 119.26 119.23 1f1u h ALA 90 Ca 0.25 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1f1u h ALA 90 Cb 0.25 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1f1u h ALA 90 CO -0.02 -0.12 0.34 1.49 0.00 0.00 0.00 179.25 180.95 1f1u h GLU 91 N 0.31 0.65 -0.64 0.00 4.81 -0.91 -1.92 114.58 116.88 1f1u h GLU 91 Ca 0.09 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 1f1u h GLU 91 Cb 0.08 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1f1u h GLU 91 CO -0.01 0.43 0.10 0.00 -0.73 0.00 0.00 179.01 178.79 1f1u h ALA 92 N 1.26 0.84 -0.21 2.92 0.00 -0.92 -1.27 119.26 121.88 1f1u h ALA 92 Ca 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1f1u h ALA 92 Cb 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1f1u h ALA 92 CO -0.11 0.61 0.11 -0.92 0.00 0.00 0.00 179.25 178.94 1f1u h TYR 93 N 0.97 0.29 0.00 0.00 5.03 -0.84 -1.31 116.97 121.10 1f1u h TYR 93 Ca 0.19 -0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.41 1f1u h TYR 93 Cb 0.44 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.62 1f1u h TYR 93 CO 0.03 0.27 -0.39 1.88 -1.32 0.00 0.00 178.16 178.63 1f1u h TYR 94 N 0.22 0.00 -0.20 -3.82 0.05 -1.22 -2.10 116.97 109.90 1f1u h TYR 94 Ca 0.07 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.70 1f1u h TYR 94 Cb 0.08 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 1f1u h TYR 94 CO -0.03 0.39 -0.52 0.87 -1.05 0.00 0.00 178.16 177.83 1f1u h LYS 95 N 0.00 0.57 0.00 4.88 1.57 -1.11 -1.59 116.57 120.89 1f1u h LYS 95 Ca -0.00 -0.34 -0.09 0.00 -1.87 0.00 0.00 60.65 58.34 1f1u h LYS 95 Cb 1.00 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1f1u h LYS 95 CO 0.05 0.95 -0.45 1.49 -0.57 0.00 0.00 179.45 180.92 1f1u h GLU 96 N 0.45 0.00 0.00 3.15 4.81 -0.84 -0.64 114.58 121.50 1f1u h GLU 96 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1f1u h GLU 96 Cb 1.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1f1u h GLU 96 CO 0.10 0.45 0.00 1.28 -0.73 0.00 0.00 179.01 180.11 1f1u n LEU 97 N -3.99 0.00 -0.18 1.64 4.77 -0.82 -4.88 117.00 113.54 1f1u n LEU 97 Ca -0.02 0.24 -0.02 0.00 -0.03 0.00 0.00 56.01 56.18 1f1u n LEU 97 Cb 0.47 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1f1u n LEU 97 CO 0.40 -0.07 -0.02 0.61 -1.33 0.00 0.00 177.39 176.98 1f1u n GLY 98 N 0.54 0.57 3.87 -0.72 0.00 -0.25 -5.03 105.19 104.17 1f1u n GLY 98 Ca 0.11 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.87 4.31 0.08 0.00 3.52 -1.26 -4.54 118.95 118.18 1f1u s ARG 100 Ca 0.49 2.18 0.06 0.00 -0.13 0.00 0.00 55.73 58.33 1f1u s ARG 100 Cb -0.11 -3.17 -0.03 0.00 -1.56 0.00 0.00 34.95 30.08 1f1u s ARG 100 CO 0.20 -0.39 -0.16 0.95 -0.81 0.00 0.00 175.30 175.09 1f1u s THR 101 N 0.40 1.28 -0.03 4.11 -4.23 -1.26 -1.68 115.64 114.23 1f1u s THR 101 Ca 0.61 -1.37 -0.01 0.00 -1.18 0.00 0.00 61.69 59.73 1f1u s THR 101 Cb -0.39 -1.21 0.03 0.00 1.34 0.00 0.00 72.50 72.27 1f1u s THR 101 CO 0.37 -0.18 0.05 -0.70 -0.54 0.00 0.00 174.62 173.62 1f1u s GLU 102 N -1.79 -0.06 -0.11 3.99 2.12 0.31 -4.99 118.70 118.17 1f1u s GLU 102 Ca 0.00 0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.63 1f1u s GLU 102 Cb -0.10 -0.38 -0.02 0.00 0.26 0.00 0.00 34.13 33.90 1f1u s GLU 102 CO 0.03 -0.25 -0.13 0.50 -0.54 0.00 0.00 175.26 174.87 1f1u s ARG 103 N 1.63 3.22 -0.19 4.30 6.06 -1.26 -0.73 118.95 131.98 1f1u s ARG 103 Ca -0.02 -0.67 -0.01 0.00 -2.50 0.00 0.00 55.73 52.53 1f1u s ARG 103 Cb -0.12 -2.60 0.05 0.00 0.06 0.00 0.00 34.95 32.34 1f1u s ARG 103 CO -0.03 0.31 -0.02 1.03 -2.50 0.00 0.00 175.30 174.08 1f1u s ARG 104 N 0.11 1.20 0.54 5.12 0.52 -0.39 -5.01 118.95 121.05 1f1u s ARG 104 Ca -0.06 -0.61 0.21 0.00 -0.52 0.00 0.00 55.73 54.75 1f1u s ARG 104 Cb -0.15 -2.19 1.45 0.00 0.52 0.00 0.00 34.95 34.58 1f1u s ARG 104 CO 0.04 -0.55 2.18 0.87 0.02 0.00 0.00 175.30 177.86 1f1u h LYS 105 N 8.12 0.00 -0.72 3.54 1.57 -1.89 -1.12 116.57 126.06 1f1u h LYS 105 Ca -0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1f1u h LYS 105 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1f1u h LYS 105 CO 0.38 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.65 1f1u n GLU 106 N -4.31 2.74 0.00 3.15 -0.58 -1.26 -2.23 120.64 118.15 1f1u n GLU 106 Ca -0.02 -2.62 0.00 0.00 -0.42 0.00 0.00 57.16 54.10 1f1u n GLU 106 Cb 0.11 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 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 1.62 -1.10 0.05 0.62 0.00 -0.50 -4.67 105.19 101.20 1f1u n GLY 107 Ca 0.24 -1.61 -0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.99 0.00 -4.24 1.61 3.01 -1.26 -4.91 117.46 110.67 1f1u n PHE 108 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.26 1f1u n PHE 108 Cb 0.00 -0.69 -0.12 0.00 -0.01 0.00 0.00 39.48 38.67 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 -2.88 1.42 0.49 4.37 -4.23 -1.26 -5.12 115.64 108.43 1f1u s THR 109 Ca -0.08 -1.54 -0.24 0.00 -1.18 0.00 0.00 61.69 58.65 1f1u s THR 109 Cb 0.09 -1.41 -0.07 0.00 1.34 0.00 0.00 72.50 72.45 1f1u s THR 109 CO 0.78 -0.23 1.41 0.29 -0.54 0.00 0.00 174.62 176.33 1f1u n LYS 110 N 0.94 2.07 -0.69 3.99 5.02 -1.26 -2.41 118.16 125.82 1f1u n LYS 110 Ca -0.18 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1f1u n LYS 110 Cb 0.55 -2.62 0.00 0.00 -0.02 0.00 0.00 35.03 32.94 1f1u n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1f1u n GLY 111 N 0.63 1.03 3.31 0.72 0.00 -1.26 -4.93 105.19 104.69 1f1u n GLY 111 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.45 2.19 0.00 -0.61 -1.09 -1.01 -1.08 121.20 116.14 1f1u s ILE 112 Ca 0.00 -1.04 0.00 0.00 -2.23 0.00 0.00 60.65 57.38 1f1u s ILE 112 Cb 0.00 -1.78 0.00 0.00 -1.58 0.00 0.00 42.46 39.10 1f1u s ILE 112 CO 0.00 0.58 0.00 0.61 -1.23 0.00 0.00 174.94 174.90 1f1u n GLY 113 N 2.68 1.46 3.69 6.18 0.00 -0.14 -4.03 105.19 115.03 1f1u n GLY 113 Ca -0.17 -1.58 -0.54 0.00 0.00 0.00 0.00 46.02 43.73 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 2.65 -3.95 1.61 2.03 -0.95 -2.65 116.55 115.29 1f1u n ASP 114 Ca 0.00 1.05 -0.12 0.00 0.52 0.00 0.00 54.79 56.24 1f1u n ASP 114 Cb 0.00 -1.22 -0.13 0.00 -0.72 0.00 0.00 41.12 39.05 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 3.35 0.31 -0.10 1.67 0.01 -0.74 -4.03 113.70 114.16 1f1u s SER 115 Ca 0.95 -0.28 0.02 0.00 1.31 0.00 0.00 55.95 57.96 1f1u s SER 115 Cb -0.94 0.03 -0.01 0.00 0.21 0.00 0.00 66.02 65.31 1f1u s SER 115 CO 0.59 -0.13 -0.18 0.54 0.41 0.00 0.00 173.24 174.47 1f1u s VAL 116 N -0.75 2.64 0.06 3.43 0.11 -0.59 -1.26 120.40 124.05 1f1u s VAL 116 Ca -0.07 -0.83 0.05 0.00 -2.93 0.00 0.00 61.98 58.20 1f1u s VAL 116 Cb -0.05 -2.06 -0.04 0.00 -1.53 0.00 0.00 36.38 32.70 1f1u s VAL 116 CO -0.00 0.55 -0.05 -0.13 -3.33 0.00 0.00 175.10 172.14 1f1u s ARG 117 N 0.10 2.44 0.02 1.54 0.52 0.09 -0.97 118.95 122.68 1f1u s ARG 117 Ca -0.08 -0.84 -0.02 0.00 -0.52 0.00 0.00 55.73 54.26 1f1u s ARG 117 Cb -0.15 -2.46 -0.01 0.00 0.52 0.00 0.00 34.95 32.84 1f1u s ARG 117 CO 0.05 0.55 0.02 0.14 0.02 0.00 0.00 175.30 176.09 1f1u s VAL 118 N -1.17 0.11 -0.49 3.52 -7.23 -0.05 -0.53 120.40 114.55 1f1u s VAL 118 Ca 0.21 -0.87 -0.19 0.00 -1.81 0.00 0.00 61.98 59.32 1f1u s VAL 118 Cb -0.11 -0.35 0.05 0.00 0.56 0.00 0.00 36.38 36.53 1f1u s VAL 118 CO 0.13 -0.48 0.61 -1.61 -0.31 0.00 0.00 175.10 173.45 1f1u s GLU 119 N -1.52 3.14 1.08 4.82 2.02 -0.68 -1.55 118.70 126.01 1f1u s GLU 119 Ca -0.15 -0.83 -0.17 0.00 0.02 0.00 0.00 54.97 53.84 1f1u s GLU 119 Cb -0.09 -4.07 0.24 0.00 0.10 0.00 0.00 34.13 30.30 1f1u s GLU 119 CO -0.01 -1.17 1.18 0.16 0.02 0.00 0.00 175.26 175.44 1f1u s ASP 120 N 2.56 2.02 0.56 -0.19 -4.77 -0.05 -4.11 116.67 112.69 1f1u s ASP 120 Ca 0.16 0.60 0.37 0.00 -3.30 0.00 0.00 52.55 50.38 1f1u s ASP 120 Cb -0.19 -0.85 2.00 0.00 -1.09 0.00 0.00 42.92 42.79 1f1u s ASP 120 CO 0.13 -3.44 2.14 -0.65 0.70 0.00 0.00 175.17 174.05 1f1u h PRO 121 N -2.12 0.00 -0.61 2.11 0.11 -1.97 -0.40 132.00 129.12 1f1u h PRO 121 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1f1u h PRO 121 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1f1u h PRO 121 CO 0.40 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.47 1f1u n LEU 122 N -2.83 3.72 0.00 2.35 4.77 -1.26 -4.95 117.00 118.79 1f1u n LEU 122 Ca -0.02 -1.88 0.00 0.00 -0.03 0.00 0.00 56.01 54.07 1f1u n LEU 122 Cb 0.08 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1f1u n LEU 122 CO 0.17 0.90 0.00 0.61 -1.33 0.00 0.00 177.39 177.75 1f1u n GLY 123 N 1.48 0.72 3.87 -0.72 0.00 -0.16 -4.33 105.19 106.04 1f1u n GLY 123 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.40 3.57 -0.53 1.61 0.40 -1.26 -4.74 117.98 114.63 1f1u s PHE 124 Ca 0.00 0.82 -0.24 0.00 -0.60 0.00 0.00 56.93 56.91 1f1u s PHE 124 Cb 0.00 -2.19 0.04 0.00 0.51 0.00 0.00 43.02 41.38 1f1u s PHE 124 CO 0.00 0.48 0.93 -1.25 0.70 0.00 0.00 175.22 176.08 1f1u s PRO 125 N -2.02 3.36 -0.05 0.24 0.04 -1.26 -0.87 135.00 134.44 1f1u s PRO 125 Ca 0.35 -0.19 -0.01 0.00 0.04 0.00 0.00 61.00 61.19 1f1u s PRO 125 Cb -0.14 -4.03 -0.03 0.00 0.04 0.00 0.00 34.50 30.34 1f1u s PRO 125 CO 0.19 -1.43 0.01 0.71 0.04 0.00 0.00 177.00 176.52 1f1u s TYR 126 N 3.88 3.15 -0.02 0.56 1.51 -0.60 -0.80 117.35 125.04 1f1u s TYR 126 Ca 0.31 0.17 0.07 0.00 -1.01 0.00 0.00 57.07 56.61 1f1u s TYR 126 Cb -0.12 -1.75 -0.02 0.00 -0.11 0.00 0.00 41.96 39.96 1f1u s TYR 126 CO 0.20 0.48 -0.23 -2.00 -1.11 0.00 0.00 175.55 172.89 1f1u s GLU 127 N -1.16 1.90 -0.10 -0.62 2.12 -0.07 -0.87 118.70 119.90 1f1u s GLU 127 Ca 0.16 -0.82 0.03 0.00 0.36 0.00 0.00 54.97 54.70 1f1u s GLU 127 Cb -0.11 -1.82 0.01 0.00 0.26 0.00 0.00 34.13 32.46 1f1u s GLU 127 CO 0.06 0.49 -0.21 -0.06 -0.54 0.00 0.00 175.26 175.00 1f1u s PHE 128 N -0.52 2.32 0.09 5.30 0.08 -0.15 -0.58 117.98 124.53 1f1u s PHE 128 Ca 0.08 -1.00 -0.08 0.00 0.12 0.00 0.00 56.93 56.05 1f1u s PHE 128 Cb -0.09 -1.58 -0.01 0.00 -0.57 0.00 0.00 43.02 40.77 1f1u s PHE 128 CO -0.01 -0.43 0.18 -0.59 -0.10 0.00 0.00 175.22 174.27 1f1u s PHE 129 N 0.55 0.21 0.01 0.36 -0.71 -1.06 -1.54 117.98 115.81 1f1u s PHE 129 Ca -0.15 -0.65 -0.02 0.00 -1.04 0.00 0.00 56.93 55.08 1f1u s PHE 129 Cb -0.17 -0.09 -0.01 0.00 -1.21 0.00 0.00 43.02 41.54 1f1u s PHE 129 CO 0.05 -0.55 -0.05 0.98 -1.34 0.00 0.00 175.22 174.31 1f1u n TYR 130 N -0.07 0.00 -2.26 3.49 9.36 -1.26 -0.52 117.16 125.90 1f1u n TYR 130 Ca -0.14 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.67 1f1u n TYR 130 Cb 0.62 -0.10 -0.03 0.00 -0.63 0.00 0.00 39.34 39.20 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 -2.09 4.40 -0.09 2.98 2.02 -1.26 -4.90 118.70 119.76 1f1u s GLU 131 Ca -0.05 1.99 -0.18 0.00 0.02 0.00 0.00 54.97 56.76 1f1u s GLU 131 Cb 0.01 -3.23 0.04 0.00 0.10 0.00 0.00 34.13 31.06 1f1u s GLU 131 CO 0.06 -0.25 0.43 -0.08 0.02 0.00 0.00 175.26 175.44 1f1u s THR 132 N 0.32 0.02 0.07 3.63 -1.32 -1.26 -0.97 115.64 116.13 1f1u s THR 132 Ca 0.57 -0.19 -0.31 0.00 -1.21 0.00 0.00 61.69 60.56 1f1u s THR 132 Cb -0.35 -0.68 -0.07 0.00 -1.51 0.00 0.00 72.50 69.89 1f1u s THR 132 CO 0.36 -0.10 1.40 -0.70 -2.21 0.00 0.00 174.62 173.36 1f1u s GLU 133 N -0.61 4.31 0.24 7.08 2.12 -0.24 -4.87 118.70 126.73 1f1u s GLU 133 Ca -0.07 2.04 -0.26 0.00 0.36 0.00 0.00 54.97 57.03 1f1u s GLU 133 Cb -0.03 -3.39 -0.09 0.00 0.26 0.00 0.00 34.13 30.88 1f1u s GLU 133 CO 0.04 -0.49 0.87 -1.01 -0.54 0.00 0.00 175.26 174.12 1f1u s HIS 134 N 1.64 3.84 0.36 5.30 3.76 -1.26 -1.96 115.29 126.97 1f1u s HIS 134 Ca 0.65 1.74 0.04 0.00 -0.15 0.00 0.00 55.06 57.33 1f1u s HIS 134 Cb -0.35 -2.86 -0.05 0.00 1.11 0.00 0.00 32.58 30.43 1f1u s HIS 134 CO 0.29 0.39 0.07 0.14 -0.85 0.00 0.00 174.74 174.78 1f1u s VAL 135 N -1.34 1.04 0.09 -0.90 -7.23 -0.28 -4.95 120.40 106.83 1f1u s VAL 135 Ca 0.42 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.29 1f1u s VAL 135 Cb -0.22 -2.64 -0.09 0.00 0.56 0.00 0.00 36.38 33.99 1f1u s VAL 135 CO 0.27 0.00 1.74 -0.70 -0.31 0.00 0.00 175.10 176.10 1f1u s GLU 136 N -3.84 4.17 -0.23 4.82 2.12 -1.26 -4.72 118.70 119.76 1f1u s GLU 136 Ca 0.31 2.45 -0.26 0.00 0.36 0.00 0.00 54.97 57.83 1f1u s GLU 136 Cb 0.07 -3.63 -0.00 0.00 0.26 0.00 0.00 34.13 30.83 1f1u s GLU 136 CO 0.15 -0.79 0.90 0.50 -0.54 0.00 0.00 175.26 175.48 1f1u s ARG 137 N 2.78 4.22 -0.07 4.30 3.52 -1.26 -4.86 118.95 127.58 1f1u s ARG 137 Ca 0.77 1.10 0.10 0.00 -0.13 0.00 0.00 55.73 57.57 1f1u s ARG 137 Cb -0.42 -3.64 0.41 0.00 -1.56 0.00 0.00 34.95 29.74 1f1u s ARG 137 CO 0.34 -0.54 1.23 1.28 -0.81 0.00 0.00 175.30 176.81 1f1u n LEU 138 N 6.03 2.99 -0.28 -0.88 4.77 -0.77 -4.56 117.00 124.31 1f1u n LEU 138 Ca 0.08 -1.51 0.06 0.00 -0.03 0.00 0.00 56.01 54.61 1f1u n LEU 138 Cb 0.47 -0.46 0.17 0.00 -2.33 0.00 0.00 43.42 41.27 1f1u n LEU 138 CO 0.49 0.49 0.80 0.74 -1.33 0.00 0.00 177.39 178.58 1f1u h THR 139 N 2.27 0.27 -0.59 -5.08 2.02 -1.82 0.50 112.91 110.49 1f1u h THR 139 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1f1u h THR 139 Cb 0.98 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1f1u h THR 139 CO 0.15 0.01 0.00 0.00 0.37 0.00 0.00 175.52 176.06 1f1u n GLN 140 N -5.40 3.57 -1.86 6.66 6.02 -1.26 -4.69 117.38 120.42 1f1u n GLN 140 Ca 0.15 -2.81 -0.41 0.00 -0.01 0.00 0.00 57.00 53.92 1f1u n GLN 140 Cb 0.51 -1.82 -0.01 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 0.93 3.50 0.22 -1.09 5.12 0.17 -4.69 116.66 120.82 1f1u n ARG 141 Ca 0.24 -2.92 0.16 0.00 -1.93 0.00 0.00 57.85 53.40 1f1u n ARG 141 Cb 0.84 -2.99 0.73 0.00 -1.16 0.00 0.00 32.46 29.88 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 5.53 0.00 0.00 -1.55 0.05 -1.83 0.29 116.97 119.45 1f1u h TYR 142 Ca 0.60 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.38 1f1u h TYR 142 Cb 0.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.26 1f1u h TYR 142 CO 1.50 0.00 0.00 0.38 -1.05 0.00 0.00 178.16 178.99 1f1u h ASP 143 N 0.00 0.00 -0.02 3.88 2.03 -1.97 -2.87 116.42 117.47 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 0.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 1f1u h ASP 143 CO 0.00 0.00 -0.11 0.18 -1.03 0.00 0.00 179.24 178.28 1f1u n LEU 144 N -2.37 1.96 -4.66 0.15 4.77 0.08 -5.01 117.00 111.92 1f1u n LEU 144 Ca 0.02 -0.91 -0.43 0.00 -0.03 0.00 0.00 56.01 54.66 1f1u n LEU 144 Cb 0.23 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1f1u n LEU 144 CO 0.20 0.36 1.11 -0.47 -1.33 0.00 0.00 177.39 177.26 1f1u s TYR 145 N -1.44 2.78 0.40 -1.77 6.14 -1.09 -5.03 117.35 117.35 1f1u s TYR 145 Ca 0.15 0.92 -0.01 0.00 0.64 0.00 0.00 57.07 58.77 1f1u s TYR 145 Cb 0.12 -3.55 -0.03 0.00 0.42 0.00 0.00 41.96 38.92 1f1u s TYR 145 CO 0.25 -1.96 0.63 -1.54 0.64 0.00 0.00 175.55 173.58 1f1u s SER 146 N 2.09 6.22 0.66 4.32 1.04 -1.26 -4.97 113.70 121.79 1f1u s SER 146 Ca 0.57 0.56 0.41 0.00 0.48 0.00 0.00 55.95 57.98 1f1u s SER 146 Cb -0.24 -2.02 2.25 0.00 0.10 0.00 0.00 66.02 66.11 1f1u s SER 146 CO 0.18 -0.43 2.28 0.00 0.98 0.00 0.00 173.24 176.25 1f1u h ALA 147 N 0.55 1.11 -0.28 5.32 0.00 -1.96 -1.97 119.26 122.02 1f1u h ALA 147 Ca -0.48 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.27 1f1u h ALA 147 Cb 1.22 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 1f1u h ALA 147 CO 0.61 -0.07 -0.24 0.41 0.00 0.00 0.00 179.25 179.96 1f1u n GLY 148 N -1.13 5.09 3.67 0.00 0.00 -1.26 -4.38 105.19 107.18 1f1u n GLY 148 Ca -0.03 -1.36 -0.46 0.00 0.00 0.00 0.00 46.02 44.17 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 2.12 -3.11 1.61 4.07 -0.74 -4.88 120.64 118.61 1f1u n GLU 149 Ca 0.30 0.76 -0.41 0.00 -0.06 0.00 0.00 57.16 57.76 1f1u n GLU 149 Cb 0.92 -2.53 -0.06 0.00 -0.06 0.00 0.00 31.44 29.71 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 0.93 4.13 -0.05 4.31 1.43 -1.26 -4.41 118.68 123.75 1f1u s LEU 150 Ca 0.79 0.49 0.20 0.00 -1.03 0.00 0.00 54.13 54.58 1f1u s LEU 150 Cb -0.69 -2.83 -0.27 0.00 0.03 0.00 0.00 46.19 42.43 1f1u s LEU 150 CO 0.38 -0.47 0.44 1.33 0.23 0.00 0.00 176.35 178.27 1f1u n VAL 151 N 5.37 0.57 -3.63 -1.59 0.24 0.75 -1.82 118.33 118.21 1f1u n VAL 151 Ca -0.01 -0.63 -0.15 0.00 -2.04 0.00 0.00 64.34 61.52 1f1u n VAL 151 Cb 0.49 -0.23 -0.07 0.00 -1.47 0.00 0.00 33.84 32.55 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 -3.15 0.82 -0.04 7.34 3.52 -1.20 -1.22 118.95 125.02 1f1u s ARG 152 Ca -0.07 0.69 -0.29 0.00 -0.13 0.00 0.00 55.73 55.92 1f1u s ARG 152 Cb 0.11 0.40 -0.02 0.00 -1.56 0.00 0.00 34.95 33.87 1f1u s ARG 152 CO 0.87 -0.15 0.97 -1.17 -0.81 0.00 0.00 175.30 175.01 1f1u s LEU 153 N -0.11 4.33 -0.14 -0.88 2.96 -1.26 -0.77 118.68 122.81 1f1u s LEU 153 Ca -0.03 1.59 -0.00 0.00 -0.22 0.00 0.00 54.13 55.46 1f1u s LEU 153 Cb -0.03 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 43.03 1f1u s LEU 153 CO 0.03 -0.31 -0.13 -0.67 -1.32 0.00 0.00 176.35 173.95 1f1u n ASP 154 N 4.25 2.64 -3.77 3.68 2.03 0.22 -4.92 116.55 120.68 1f1u n ASP 154 Ca 0.06 -0.03 -0.04 0.00 0.52 0.00 0.00 54.79 55.30 1f1u n ASP 154 Cb 0.50 -0.25 -0.01 0.00 -0.72 0.00 0.00 41.12 40.64 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 -2.27 -0.14 0.26 -0.67 -3.43 -1.18 -4.44 115.29 103.42 1f1u s HIS 155 Ca -0.19 -0.21 0.09 0.00 -0.80 0.00 0.00 55.06 53.96 1f1u s HIS 155 Cb 0.05 0.66 -0.04 0.00 -1.43 0.00 0.00 32.58 31.82 1f1u s HIS 155 CO 0.31 -0.92 0.02 -0.06 -2.00 0.00 0.00 174.74 172.08 1f1u s PHE 156 N -3.40 2.75 -0.03 0.38 0.08 -0.19 -0.94 117.98 116.63 1f1u s PHE 156 Ca 0.12 -0.21 -0.01 0.00 0.12 0.00 0.00 56.93 56.96 1f1u s PHE 156 Cb -0.02 -1.22 0.03 0.00 -0.57 0.00 0.00 43.02 41.23 1f1u s PHE 156 CO 0.03 0.61 0.05 1.21 -0.10 0.00 0.00 175.22 177.02 1f1u s ASN 157 N -3.66 0.56 0.02 1.36 3.84 -0.38 -2.24 114.94 114.43 1f1u s ASN 157 Ca 0.31 0.07 0.06 0.00 0.21 0.00 0.00 52.86 53.51 1f1u s ASN 157 Cb -0.07 -0.09 -0.03 0.00 -0.55 0.00 0.00 41.25 40.51 1f1u s ASN 157 CO 0.20 -0.19 -0.16 -1.10 -2.79 0.00 0.00 177.10 173.07 1f1u s GLN 158 N 1.59 2.23 -0.18 0.43 -0.21 0.04 -0.05 119.66 123.51 1f1u s GLN 158 Ca -0.02 -0.89 -0.08 0.00 0.02 0.00 0.00 55.36 54.39 1f1u s GLN 158 Cb -0.13 -2.26 -0.04 0.00 1.00 0.00 0.00 33.01 31.58 1f1u s GLN 158 CO -0.03 0.57 0.08 0.08 -2.12 0.00 0.00 175.29 173.87 1f1u s VAL 159 N -0.89 4.99 -0.00 1.09 1.01 -0.03 -0.59 120.40 125.98 1f1u s VAL 159 Ca 0.14 0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 1f1u s VAL 159 Cb -0.11 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 33.05 1f1u s VAL 159 CO 0.04 0.47 0.26 0.28 0.00 0.00 0.00 175.10 176.15 1f1u s THR 160 N 0.21 0.07 0.29 3.92 -1.32 -0.31 -2.26 115.64 116.24 1f1u s THR 160 Ca 0.06 -0.58 0.11 0.00 -1.21 0.00 0.00 61.69 60.07 1f1u s THR 160 Cb -0.12 -0.61 0.01 0.00 -1.51 0.00 0.00 72.50 70.27 1f1u s THR 160 CO -0.00 -0.32 1.68 -0.65 -2.21 0.00 0.00 174.62 173.12 1f1u h PRO 161 N 3.89 0.00 -3.68 7.08 0.11 -1.58 -1.55 132.00 136.27 1f1u h PRO 161 Ca -0.30 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.17 1f1u h PRO 161 Cb 1.18 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.89 1f1u h PRO 161 CO 0.41 0.54 -0.68 0.34 -0.21 0.00 0.00 178.00 178.40 1f1u s ASP 162 N -6.85 4.29 0.14 -2.05 -1.08 -1.26 -4.57 116.67 105.30 1f1u s ASP 162 Ca -0.02 -2.59 -0.13 0.00 -0.52 0.00 0.00 52.55 49.29 1f1u s ASP 162 Cb 0.13 -1.46 0.01 0.00 -1.46 0.00 0.00 42.92 40.14 1f1u s ASP 162 CO 0.75 -0.29 1.59 0.58 0.52 0.00 0.00 175.17 178.32 1f1u h VAL 163 N 5.84 1.26 -0.95 1.11 2.07 -1.84 -1.26 116.25 122.48 1f1u h VAL 163 Ca -0.06 -1.06 0.08 0.00 0.82 0.00 0.00 66.70 66.49 1f1u h VAL 163 Cb 0.94 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.66 1f1u h VAL 163 CO 0.59 0.37 0.61 -0.65 0.02 0.00 0.00 177.57 178.51 1f1u h PRO 164 N 0.68 1.00 -0.26 1.57 0.11 -1.94 0.34 132.00 133.50 1f1u h PRO 164 Ca 0.13 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 1f1u h PRO 164 Cb 0.50 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1f1u h PRO 164 CO 0.02 0.66 0.03 -0.09 -0.21 0.00 0.00 178.00 178.41 1f1u h ARG 165 N 1.03 0.45 -0.61 1.05 2.43 -1.86 -2.31 114.38 114.56 1f1u h ARG 165 Ca 0.43 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1f1u h ARG 165 Cb 0.30 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1f1u h ARG 165 CO -0.19 0.58 0.39 0.78 -1.51 0.00 0.00 179.97 180.03 1f1u h GLY 166 N 0.25 0.86 0.99 2.80 0.00 -0.39 -1.92 103.07 105.67 1f1u h GLY 166 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1f1u h GLY 166 CO 0.01 0.32 0.17 -0.09 0.00 0.00 0.00 176.54 176.95 1f1u h ARG 167 N 0.82 0.35 -0.27 4.80 2.43 -0.21 -0.35 114.38 121.94 1f1u h ARG 167 Ca 0.22 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.28 1f1u h ARG 167 Cb -0.08 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1f1u h ARG 167 CO -0.05 0.25 -0.20 0.00 -1.51 0.00 0.00 179.97 178.46 1f1u h ALA 168 N 1.08 1.15 -0.36 2.80 0.00 -1.33 0.12 119.26 122.72 1f1u h ALA 168 Ca 0.09 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1f1u h ALA 168 Cb -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1f1u h ALA 168 CO -0.02 0.54 0.14 -0.92 0.00 0.00 0.00 179.25 178.98 1f1u h TYR 169 N 0.45 0.56 -0.00 0.00 3.20 -0.97 -1.12 116.97 119.09 1f1u h TYR 169 Ca 0.07 -0.05 -0.13 0.00 3.14 0.00 0.00 58.73 61.76 1f1u h TYR 169 Cb 0.60 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1f1u h TYR 169 CO 0.02 0.52 -0.63 -0.07 -1.64 0.00 0.00 178.16 176.36 1f1u h LEU 170 N 0.44 0.01 -0.58 2.82 3.38 -0.62 -1.90 115.31 118.86 1f1u h LEU 170 Ca 0.12 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1f1u h LEU 170 Cb 0.20 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1f1u h LEU 170 CO -0.01 0.63 0.23 -0.33 0.09 0.00 0.00 178.44 179.05 1f1u h GLU 171 N 0.00 0.87 -0.11 1.13 5.08 -0.61 -1.42 114.58 119.53 1f1u h GLU 171 Ca -0.01 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1f1u h GLU 171 Cb 1.11 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1f1u h GLU 171 CO 0.08 0.75 -0.07 -0.44 -1.00 0.00 0.00 179.01 178.33 1f1u h ASP 172 N 0.80 0.15 0.37 1.42 3.32 -0.90 -0.44 116.42 121.14 1f1u h ASP 172 Ca 0.19 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1f1u h ASP 172 Cb 0.21 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1f1u h ASP 172 CO -0.01 0.25 0.00 0.18 -1.72 0.00 0.00 179.24 177.93 1f1u n LEU 173 N -4.36 0.00 0.00 1.55 4.77 -0.74 -4.67 117.00 113.54 1f1u n LEU 173 Ca -0.01 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1f1u n LEU 173 Cb 0.20 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1f1u n LEU 173 CO 0.36 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1f1u n GLY 174 N 0.26 0.65 3.78 -0.72 0.00 -0.17 -4.76 105.19 104.22 1f1u n GLY 174 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 3.63 0.11 1.61 0.40 -0.60 -4.83 117.98 116.30 1f1u s PHE 175 Ca 0.00 1.76 0.06 0.00 -0.60 0.00 0.00 56.93 58.15 1f1u s PHE 175 Cb 0.00 -2.95 -0.04 0.00 0.51 0.00 0.00 43.02 40.54 1f1u s PHE 175 CO 0.00 0.08 -0.05 1.03 0.70 0.00 0.00 175.22 176.98 1f1u s ARG 176 N -2.13 2.32 -0.28 0.44 0.52 -0.30 -4.15 118.95 115.37 1f1u s ARG 176 Ca 0.51 -0.96 -0.22 0.00 -0.52 0.00 0.00 55.73 54.54 1f1u s ARG 176 Cb -0.19 -2.40 -0.01 0.00 0.52 0.00 0.00 34.95 32.87 1f1u s ARG 176 CO 0.24 0.52 0.73 0.08 0.02 0.00 0.00 175.30 176.89 1f1u s VAL 177 N -1.30 4.87 -0.03 3.52 1.01 -1.26 -0.75 120.40 126.45 1f1u s VAL 177 Ca 0.24 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.41 1f1u s VAL 177 Cb -0.11 -4.07 -0.26 0.00 0.00 0.00 0.00 36.38 31.94 1f1u s VAL 177 CO 0.16 -0.13 0.71 0.77 0.00 0.00 0.00 175.10 176.61 1f1u h SER 178 N 7.99 0.29 -5.01 3.32 4.64 -1.34 -3.42 113.55 120.03 1f1u h SER 178 Ca -0.25 -0.49 -0.11 0.00 -0.47 0.00 0.00 61.79 60.47 1f1u h SER 178 Cb 1.11 -0.09 -0.19 0.00 -0.31 0.00 0.00 62.40 62.91 1f1u h SER 178 CO 0.84 1.42 -0.28 -1.61 -0.87 0.00 0.00 176.83 176.34 1f1u s GLU 179 N -2.60 0.70 0.24 4.77 2.02 -1.24 -1.63 118.70 120.96 1f1u s GLU 179 Ca -0.11 -0.29 -0.10 0.00 0.02 0.00 0.00 54.97 54.50 1f1u s GLU 179 Cb 0.07 0.31 -0.01 0.00 0.10 0.00 0.00 34.13 34.60 1f1u s GLU 179 CO 0.83 -0.20 0.41 0.16 0.02 0.00 0.00 175.26 176.47 1f1u s ASP 180 N -1.53 0.01 -0.11 -0.19 1.47 -0.40 -0.81 116.67 115.12 1f1u s ASP 180 Ca -0.11 -1.06 0.02 0.00 1.18 0.00 0.00 52.55 52.58 1f1u s ASP 180 Cb -0.04 0.55 0.01 0.00 -0.34 0.00 0.00 42.92 43.10 1f1u s ASP 180 CO 0.02 -1.09 -0.17 -0.63 0.68 0.00 0.00 175.17 173.98 1f1u s ILE 181 N -3.99 1.60 0.10 2.11 1.01 -0.71 -0.80 121.20 120.52 1f1u s ILE 181 Ca 0.26 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.23 1f1u s ILE 181 Cb 0.01 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 1f1u s ILE 181 CO 0.10 0.46 -0.08 -0.54 0.00 0.00 0.00 174.94 174.88 1f1u s LYS 182 N 0.83 0.85 0.50 2.79 1.02 -0.22 -0.63 119.74 124.89 1f1u s LYS 182 Ca -0.09 -1.25 0.01 0.00 0.02 0.00 0.00 55.97 54.66 1f1u s LYS 182 Cb -0.16 -0.39 0.10 0.00 -0.52 0.00 0.00 37.83 36.86 1f1u s LYS 182 CO 0.01 0.04 0.69 -0.40 -0.92 0.00 0.00 175.35 174.76 1f1u n ASP 183 N 0.24 1.10 0.28 2.83 5.68 -0.96 -1.76 116.55 123.96 1f1u n ASP 183 Ca -0.14 -1.89 0.14 0.00 -0.50 0.00 0.00 54.79 52.41 1f1u n ASP 183 Cb 0.59 -0.43 0.85 0.00 -1.14 0.00 0.00 41.12 40.99 1f1u n ASP 183 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1f1u h SER 184 N -0.32 0.00 0.41 -1.12 4.64 -1.99 -0.15 113.55 115.02 1f1u h SER 184 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1f1u h SER 184 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1f1u h SER 184 CO 0.26 0.05 -0.10 0.47 -0.87 0.00 0.00 176.83 176.63 1f1u n ASP 185 N -3.78 0.39 0.00 4.97 8.00 -1.26 -4.91 116.55 119.96 1f1u n ASP 185 Ca -0.03 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.00 1f1u n ASP 185 Cb 0.14 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 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 1.29 0.80 3.71 0.44 0.00 -0.07 -5.04 105.19 106.32 1f1u n GLY 186 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.07 4.59 -0.13 1.61 1.01 -1.26 -4.83 120.40 119.32 1f1u s VAL 187 Ca 0.00 1.86 -0.29 0.00 0.00 0.00 0.00 61.98 63.54 1f1u s VAL 187 Cb 0.00 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 1f1u s VAL 187 CO 0.00 0.14 1.06 -0.89 0.00 0.00 0.00 175.10 175.41 1f1u s THR 188 N 1.03 4.65 -0.15 3.92 2.01 -1.26 -2.26 115.64 123.58 1f1u s THR 188 Ca 0.54 1.94 0.18 0.00 0.31 0.00 0.00 61.69 64.66 1f1u s THR 188 Cb -0.24 -4.25 -0.25 0.00 0.01 0.00 0.00 72.50 67.77 1f1u s THR 188 CO 0.28 -0.05 0.27 -1.22 -0.69 0.00 0.00 174.62 173.21 1f1u n TYR 189 N 5.43 0.21 -3.50 4.92 4.02 0.20 -4.20 117.16 124.23 1f1u n TYR 189 Ca 0.10 0.07 -0.15 0.00 -0.01 0.00 0.00 57.90 57.92 1f1u n TYR 189 Cb 0.47 -0.96 -0.04 0.00 -0.02 0.00 0.00 39.34 38.80 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 -2.69 -1.58 -0.11 -0.72 0.00 -1.21 -3.50 121.76 111.94 1f1u s ALA 190 Ca -0.08 0.81 -0.13 0.00 0.00 0.00 0.00 51.96 52.55 1f1u s ALA 190 Cb 0.08 0.44 0.03 0.00 0.00 0.00 0.00 23.12 23.67 1f1u s ALA 190 CO 0.84 -0.56 0.35 0.00 0.00 0.00 0.00 175.76 176.39 1f1u s ALA 191 N -2.50 -0.88 -0.23 0.00 0.00 -0.78 -1.74 121.76 115.64 1f1u s ALA 191 Ca -0.05 0.87 -0.05 0.00 0.00 0.00 0.00 51.96 52.73 1f1u s ALA 191 Cb -0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 1f1u s ALA 191 CO -0.02 -0.19 0.01 -1.58 0.00 0.00 0.00 175.76 173.98 1f1u s TRP 192 N -0.15 3.02 -0.02 0.00 0.51 0.01 -1.14 118.94 121.18 1f1u s TRP 192 Ca -0.03 -0.66 0.06 0.00 -2.12 0.00 0.00 56.10 53.35 1f1u s TRP 192 Cb -0.03 -2.15 -0.01 0.00 -0.81 0.00 0.00 33.47 30.46 1f1u s TRP 192 CO 0.01 -0.43 -0.19 -1.64 -0.51 0.00 0.00 176.95 174.20 1f1u s MET 193 N 1.46 1.53 0.03 4.98 -1.94 -0.20 -1.09 119.30 124.06 1f1u s MET 193 Ca 0.05 -0.67 0.01 0.00 -1.71 0.00 0.00 55.69 53.38 1f1u s MET 193 Cb -0.15 -1.47 -0.02 0.00 2.01 0.00 0.00 34.83 35.20 1f1u s MET 193 CO 0.00 0.40 -0.06 -3.38 -0.01 0.00 0.00 175.02 171.97 1f1u s HIS 194 N -0.42 0.49 -0.16 -0.03 -3.43 0.07 -0.54 115.29 111.27 1f1u s HIS 194 Ca 0.07 -0.52 -0.08 0.00 -0.80 0.00 0.00 55.06 53.73 1f1u s HIS 194 Cb -0.07 -0.31 -0.07 0.00 -1.43 0.00 0.00 32.58 30.70 1f1u s HIS 194 CO -0.01 -0.13 -0.20 0.54 -2.00 0.00 0.00 174.74 172.94 1f1u n ARG 195 N 1.49 0.33 -1.49 -0.38 5.12 -1.26 -1.15 116.66 119.32 1f1u n ARG 195 Ca -0.23 0.14 -0.30 0.00 -1.93 0.00 0.00 57.85 55.53 1f1u n ARG 195 Cb 0.55 -1.05 0.22 0.00 -1.16 0.00 0.00 32.46 31.02 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 -2.28 -0.46 -0.26 5.56 -2.85 -1.15 -4.92 119.74 113.37 1f1u s LYS 196 Ca -0.22 -0.28 0.02 0.00 -1.00 0.00 0.00 55.97 54.49 1f1u s LYS 196 Cb 0.08 -1.71 0.34 0.00 -2.06 0.00 0.00 37.83 34.49 1f1u s LYS 196 CO 0.27 -3.17 1.59 1.04 0.10 0.00 0.00 175.35 175.18 1f1u n GLN 197 N -4.33 1.72 -4.20 1.78 6.02 -1.26 -4.82 117.38 112.28 1f1u n GLN 197 Ca 0.15 -1.66 -0.29 0.00 -0.01 0.00 0.00 57.00 55.19 1f1u n GLN 197 Cb 0.59 -1.65 -0.03 0.00 1.02 0.00 0.00 30.24 30.18 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 -1.93 1.38 0.27 5.09 -4.23 -1.26 -1.84 115.64 113.12 1f1u s THR 198 Ca 0.32 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 1f1u s THR 198 Cb 0.26 -2.05 0.26 0.00 1.34 0.00 0.00 72.50 72.31 1f1u s THR 198 CO 0.05 0.00 1.81 0.58 -0.54 0.00 0.00 174.62 176.52 1f1u h VAL 199 N 0.91 0.87 -2.28 2.29 2.07 -1.88 -3.42 116.25 114.81 1f1u h VAL 199 Ca -0.39 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1f1u h VAL 199 Cb 1.31 -0.08 -0.17 0.00 -1.52 0.00 0.00 31.29 30.83 1f1u h VAL 199 CO 0.62 0.16 0.29 -1.38 0.02 0.00 0.00 177.57 177.28 1f1u s HIS 200 N -5.97 -0.54 -0.19 1.57 -3.43 -1.26 -4.26 115.29 101.21 1f1u s HIS 200 Ca -0.12 0.69 0.13 0.00 -0.80 0.00 0.00 55.06 54.97 1f1u s HIS 200 Cb 0.22 0.48 -0.21 0.00 -1.43 0.00 0.00 32.58 31.63 1f1u s HIS 200 CO 0.80 -0.63 0.01 -0.25 -2.00 0.00 0.00 174.74 172.66 1f1u n ASP 201 N 0.34 0.80 -3.98 7.38 8.00 0.29 -4.52 116.55 124.87 1f1u n ASP 201 Ca -0.16 -0.03 -0.09 0.00 0.71 0.00 0.00 54.79 55.22 1f1u n ASP 201 Cb 0.60 0.69 -0.08 0.00 -0.02 0.00 0.00 41.12 42.32 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 -2.45 0.09 0.03 -3.53 -1.32 -0.87 -1.02 115.64 106.57 1f1u s THR 202 Ca -0.14 -1.45 0.01 0.00 -1.21 0.00 0.00 61.69 58.90 1f1u s THR 202 Cb 0.06 -1.77 -0.02 0.00 -1.51 0.00 0.00 72.50 69.26 1f1u s THR 202 CO 0.71 -0.42 -0.04 0.00 -2.21 0.00 0.00 174.62 172.66 1f1u s ALA 203 N -3.96 0.25 -0.17 11.08 0.00 -0.95 -1.03 121.76 126.97 1f1u s ALA 203 Ca 0.16 -0.65 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 1f1u s ALA 203 Cb 0.04 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 1f1u s ALA 203 CO -0.02 -0.13 -0.05 -0.51 0.00 0.00 0.00 175.76 175.06 1f1u s LEU 204 N -1.51 3.09 -0.10 0.00 1.43 -0.29 -0.78 118.68 120.53 1f1u s LEU 204 Ca -0.14 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1f1u s LEU 204 Cb -0.10 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1f1u s LEU 204 CO -0.01 0.12 -0.15 -0.89 0.23 0.00 0.00 176.35 175.65 1f1u s THR 205 N 0.67 2.92 0.11 5.49 2.01 0.24 -1.86 115.64 125.22 1f1u s THR 205 Ca -0.03 -0.73 -0.30 0.00 0.31 0.00 0.00 61.69 60.94 1f1u s THR 205 Cb -0.15 -2.19 -0.06 0.00 0.01 0.00 0.00 72.50 70.11 1f1u s THR 205 CO 0.02 0.55 1.15 -0.83 -0.69 0.00 0.00 174.62 174.82 1f1u s GLY 206 N -0.02 2.63 0.00 4.40 0.00 -1.23 -1.16 107.32 111.94 1f1u s GLY 206 Ca -0.04 0.82 0.00 0.00 0.00 0.00 0.00 44.72 45.50 1f1u s GLY 206 CO 0.04 1.86 0.00 0.61 0.00 0.00 0.00 173.10 175.61 1f1u n GLY 207 N 2.69 -1.57 3.75 0.20 0.00 -0.58 -4.80 105.19 104.88 1f1u n GLY 207 Ca 0.06 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.74 6.82 0.17 1.61 0.01 -1.26 -1.55 114.94 118.00 1f1u s ASN 208 Ca 0.00 2.57 -0.14 0.00 -0.71 0.00 0.00 52.86 54.59 1f1u s ASN 208 Cb 0.00 -2.63 0.05 0.00 0.41 0.00 0.00 41.25 39.08 1f1u s ASN 208 CO 0.00 -0.54 0.67 0.61 -1.51 0.00 0.00 177.10 176.33 1f1u n GLY 209 N 1.58 0.95 3.70 0.66 0.00 -0.54 -4.34 105.19 107.20 1f1u n GLY 209 Ca 0.03 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.04 4.28 0.04 1.61 0.04 -1.26 -0.46 135.00 137.21 1f1u s PRO 210 Ca 0.15 2.10 -0.00 0.00 0.04 0.00 0.00 61.00 63.28 1f1u s PRO 210 Cb -0.02 -3.39 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 1f1u s PRO 210 CO 0.05 -0.53 -0.03 1.03 0.04 0.00 0.00 177.00 177.56 1f1u s ARG 211 N 1.72 0.50 -0.30 4.56 0.52 -0.96 -4.27 118.95 120.73 1f1u s ARG 211 Ca 0.66 -0.98 -0.14 0.00 -0.52 0.00 0.00 55.73 54.74 1f1u s ARG 211 Cb -0.36 0.14 -0.03 0.00 0.52 0.00 0.00 34.95 35.23 1f1u s ARG 211 CO 0.29 -0.08 0.34 1.41 0.02 0.00 0.00 175.30 177.28 1f1u s MET 212 N -2.93 3.81 -0.08 3.54 -2.45 0.47 -0.85 119.30 120.81 1f1u s MET 212 Ca -0.02 -0.22 -0.14 0.00 -1.25 0.00 0.00 55.69 54.06 1f1u s MET 212 Cb 0.01 -3.72 -0.11 0.00 1.25 0.00 0.00 34.83 32.26 1f1u s MET 212 CO -0.06 -0.37 0.53 1.25 1.05 0.00 0.00 175.02 177.42 1f1u h HIS 213 N 8.33 -0.18 -3.10 4.11 2.76 -0.79 0.63 115.15 126.92 1f1u h HIS 213 Ca -0.31 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 57.87 1f1u h HIS 213 Cb 1.16 0.06 -0.08 0.00 1.55 0.00 0.00 27.41 30.09 1f1u h HIS 213 CO 0.73 0.15 0.16 -3.38 -1.30 0.00 0.00 177.93 174.29 1f1u s HIS 214 N -2.64 -0.24 0.02 5.26 -3.43 -1.09 -4.31 115.29 108.86 1f1u s HIS 214 Ca -0.08 -0.12 0.08 0.00 -0.80 0.00 0.00 55.06 54.14 1f1u s HIS 214 Cb -0.00 0.57 -0.02 0.00 -1.43 0.00 0.00 32.58 31.69 1f1u s HIS 214 CO 0.30 -1.05 -0.24 0.54 -2.00 0.00 0.00 174.74 172.29 1f1u s VAL 215 N -3.87 1.95 -0.03 -5.38 0.11 -1.07 -1.25 120.40 110.86 1f1u s VAL 215 Ca 0.08 -1.22 0.05 0.00 -2.93 0.00 0.00 61.98 57.96 1f1u s VAL 215 Cb -0.03 -1.66 -0.01 0.00 -1.53 0.00 0.00 36.38 33.15 1f1u s VAL 215 CO -0.01 0.39 -0.18 0.00 -3.33 0.00 0.00 175.10 171.97 1f1u s ALA 216 N -0.72 1.58 0.08 1.54 0.00 -0.12 -0.85 121.76 123.27 1f1u s ALA 216 Ca 0.10 -0.76 0.09 0.00 0.00 0.00 0.00 51.96 51.39 1f1u s ALA 216 Cb -0.09 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 1f1u s ALA 216 CO 0.01 0.33 -0.23 -0.06 0.00 0.00 0.00 175.76 175.81 1f1u s PHE 217 N -0.16 2.42 0.13 0.00 0.40 -0.23 -0.61 117.98 119.93 1f1u s PHE 217 Ca 0.00 -0.34 -0.00 0.00 -0.60 0.00 0.00 56.93 56.00 1f1u s PHE 217 Cb -0.10 -1.36 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 1f1u s PHE 217 CO 0.01 0.27 0.29 0.00 0.70 0.00 0.00 175.22 176.49 1f1u s ALA 218 N -0.97 3.93 0.42 5.36 0.00 0.05 -1.14 121.76 129.42 1f1u s ALA 218 Ca 0.14 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.32 1f1u s ALA 218 Cb -0.10 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 1f1u s ALA 218 CO 0.05 0.64 0.32 0.95 0.00 0.00 0.00 175.76 177.72 1f1u s THR 219 N -1.68 2.51 0.13 0.00 -4.23 -0.13 -0.18 115.64 112.07 1f1u s THR 219 Ca 0.36 -1.46 -0.12 0.00 -1.18 0.00 0.00 61.69 59.30 1f1u s THR 219 Cb -0.12 -2.97 -0.08 0.00 1.34 0.00 0.00 72.50 70.68 1f1u s THR 219 CO 0.28 0.00 1.42 0.45 -0.54 0.00 0.00 174.62 176.23 1f1u h HIS 220 N 1.14 1.12 -4.17 3.99 3.86 -1.89 -3.43 115.15 115.75 1f1u h HIS 220 Ca -0.42 -0.38 -0.15 0.00 -1.16 0.00 0.00 60.37 58.26 1f1u h HIS 220 Cb 1.26 -0.22 -0.13 0.00 1.06 0.00 0.00 27.41 29.38 1f1u h HIS 220 CO 0.57 1.22 -0.47 -1.21 0.86 0.00 0.00 177.93 178.89 1f1u s GLU 221 N -4.20 1.11 0.39 2.45 2.02 -1.26 -4.86 118.70 114.35 1f1u s GLU 221 Ca -0.11 -1.35 0.06 0.00 0.02 0.00 0.00 54.97 53.60 1f1u s GLU 221 Cb 0.10 0.32 0.78 0.00 0.10 0.00 0.00 34.13 35.44 1f1u s GLU 221 CO 0.89 -0.38 2.01 0.87 0.02 0.00 0.00 175.26 178.67 1f1u h LYS 222 N 2.65 0.55 0.00 1.61 1.57 -1.96 -2.44 116.57 118.55 1f1u h LYS 222 Ca -0.33 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.37 1f1u h LYS 222 Cb 1.22 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 1f1u h LYS 222 CO 0.52 0.42 -0.12 1.12 -0.57 0.00 0.00 179.45 180.81 1f1u h HIS 223 N 0.56 0.00 -0.26 -1.35 2.07 -1.97 -1.41 115.15 112.79 1f1u h HIS 223 Ca 0.14 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.56 1f1u h HIS 223 Cb 0.03 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.00 1f1u h HIS 223 CO 0.00 0.12 -0.26 -0.91 -3.07 0.00 0.00 177.93 173.81 1f1u h ASN 224 N 0.00 0.52 -0.26 3.10 2.35 -1.64 -1.66 115.58 117.98 1f1u h ASN 224 Ca -0.00 -0.18 -0.12 0.00 -0.55 0.00 0.00 56.30 55.45 1f1u h ASN 224 Cb 0.33 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 1f1u h ASN 224 CO 0.02 0.77 -0.29 0.40 -1.65 0.00 0.00 177.43 176.68 1f1u h ILE 225 N 0.45 1.31 -0.73 2.81 2.04 -1.36 -2.61 117.51 119.42 1f1u h ILE 225 Ca 0.06 -1.46 0.02 0.00 1.00 0.00 0.00 64.86 64.48 1f1u h ILE 225 Cb 0.69 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 1f1u h ILE 225 CO 0.05 0.46 0.48 0.40 0.00 0.00 0.00 178.15 179.55 1f1u h ILE 226 N 0.39 1.15 -0.50 -0.67 2.04 -1.30 -1.91 117.51 116.71 1f1u h ILE 226 Ca 0.04 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 1f1u h ILE 226 Cb 0.86 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1f1u h ILE 226 CO 0.07 0.17 0.13 -0.61 0.00 0.00 0.00 178.15 177.91 1f1u h GLN 227 N 0.94 0.76 -0.72 2.37 5.75 -1.07 0.03 115.11 123.16 1f1u h GLN 227 Ca 0.28 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 1f1u h GLN 227 Cb -0.03 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.37 1f1u h GLN 227 CO -0.07 0.68 0.47 0.82 -2.65 0.00 0.00 178.83 178.07 1f1u h ILE 228 N 0.74 1.19 -0.31 2.39 2.04 -0.98 0.80 117.51 123.38 1f1u h ILE 228 Ca 0.17 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1f1u h ILE 228 Cb 0.26 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1f1u h ILE 228 CO -0.00 0.19 0.10 0.00 0.00 0.00 0.00 178.15 178.44 1f1u h ASP 230 N 0.34 0.88 -0.55 0.00 3.32 -0.55 -0.38 116.42 119.49 1f1u h ASP 230 Ca 0.10 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 1f1u h ASP 230 Cb 0.23 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1f1u h ASP 230 CO -0.00 0.70 -0.10 0.50 -1.72 0.00 0.00 179.24 178.62 1f1u h LYS 231 N 0.99 1.04 -0.47 3.56 3.64 -0.64 -1.17 116.57 123.51 1f1u h LYS 231 Ca 0.26 -0.38 -0.06 0.00 -1.27 0.00 0.00 60.65 59.20 1f1u h LYS 231 Cb -0.00 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1f1u h LYS 231 CO -0.04 1.07 0.05 0.52 -2.27 0.00 0.00 179.45 178.78 1f1u h MET 232 N 0.92 0.75 -0.53 1.90 2.86 -0.75 -0.26 114.93 119.82 1f1u h MET 232 Ca 0.14 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1f1u h MET 232 Cb 0.67 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1f1u h MET 232 CO 0.05 0.73 0.21 0.78 1.06 0.00 0.00 176.91 179.74 1f1u h GLY 233 N 0.95 0.86 1.85 8.32 0.00 -0.70 -0.51 103.07 113.82 1f1u h GLY 233 Ca 0.15 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 1f1u h GLY 233 CO 0.01 0.44 -0.36 0.00 0.00 0.00 0.00 176.54 176.63 1f1u h ALA 234 N 1.06 1.24 -0.04 3.60 0.00 -0.58 -1.73 119.26 122.80 1f1u h ALA 234 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1f1u h ALA 234 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1f1u h ALA 234 CO -0.01 0.52 0.00 1.28 0.00 0.00 0.00 179.25 181.04 1f1u n LEU 235 N -4.08 0.55 -3.67 0.00 4.77 -0.17 -4.91 117.00 109.49 1f1u n LEU 235 Ca -0.01 -0.22 -0.25 0.00 -0.03 0.00 0.00 56.01 55.50 1f1u n LEU 235 Cb 0.43 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.56 1f1u n LEU 235 CO 0.40 0.11 0.18 0.54 -1.33 0.00 0.00 177.39 177.30 1f1u n ARG 236 N -0.47 -7.07 -1.08 3.23 5.12 -0.65 -4.91 116.66 110.82 1f1u n ARG 236 Ca 0.17 0.76 0.02 0.00 -1.93 0.00 0.00 57.85 56.87 1f1u n ARG 236 Cb 0.17 -5.75 0.13 0.00 -1.16 0.00 0.00 32.46 25.85 1f1u n ARG 236 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1f1u n ILE 237 N -4.81 1.66 0.30 0.55 -5.35 -0.26 -4.79 119.36 106.66 1f1u n ILE 237 Ca -0.02 -2.79 0.19 0.00 -0.27 0.00 0.00 62.75 59.86 1f1u n ILE 237 Cb 0.57 0.04 0.86 0.00 -1.74 0.00 0.00 39.64 39.36 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 1.20 0.00 0.37 7.28 4.64 -1.85 -0.37 113.55 124.82 1f1u h SER 238 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1f1u h SER 238 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1f1u h SER 238 CO 0.12 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.18 1f1u n ASP 239 N -3.03 0.00 -0.43 4.97 5.75 -1.26 -1.31 116.55 121.23 1f1u n ASP 239 Ca -0.01 0.33 0.13 0.00 -0.01 0.00 0.00 54.79 55.24 1f1u n ASP 239 Cb 0.22 -0.41 0.41 0.00 -1.03 0.00 0.00 41.12 40.31 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 -1.41 1.40 -2.88 0.11 5.12 -0.15 -4.70 116.66 114.15 1f1u n ARG 240 Ca 0.04 -0.87 -0.43 0.00 -1.93 0.00 0.00 57.85 54.67 1f1u n ARG 240 Cb 0.13 -1.48 -0.04 0.00 -1.16 0.00 0.00 32.46 29.91 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 -2.20 4.61 -0.13 0.55 1.01 -0.43 -0.64 121.20 123.98 1f1u s ILE 241 Ca 0.31 0.90 -0.18 0.00 0.00 0.00 0.00 60.65 61.68 1f1u s ILE 241 Cb 0.20 -4.32 -0.26 0.00 0.01 0.00 0.00 42.46 38.10 1f1u s ILE 241 CO 0.41 -0.60 0.51 -0.08 0.00 0.00 0.00 174.94 175.18 1f1u h GLU 242 N 8.68 0.18 -2.54 2.79 4.81 -1.19 -3.49 114.58 123.82 1f1u h GLU 242 Ca -0.24 -0.30 -0.10 0.00 -0.13 0.00 0.00 59.36 58.59 1f1u h GLU 242 Cb 1.08 0.11 -0.24 0.00 0.63 0.00 0.00 28.75 30.34 1f1u h GLU 242 CO 0.97 1.14 -0.15 0.50 -0.73 0.00 0.00 179.01 180.74 1f1u s ARG 243 N -2.44 0.56 0.00 1.92 3.52 -1.01 -4.95 118.95 116.55 1f1u s ARG 243 Ca -0.22 0.72 0.00 0.00 -0.13 0.00 0.00 55.73 56.11 1f1u s ARG 243 Cb 0.04 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 33.67 1f1u s ARG 243 CO 0.73 -0.08 0.00 0.41 -0.81 0.00 0.00 175.30 175.54 1f1u n GLY 244 N 3.06 -1.91 3.77 8.12 0.00 -1.26 -0.86 105.19 116.11 1f1u n GLY 244 Ca -0.15 -2.15 -0.37 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.40 3.61 0.32 1.61 0.04 -1.26 -4.95 135.00 133.97 1f1u s PRO 245 Ca 0.00 1.81 -0.07 0.00 0.04 0.00 0.00 61.00 62.78 1f1u s PRO 245 Cb 0.00 -2.32 0.03 0.00 0.04 0.00 0.00 34.50 32.24 1f1u s PRO 245 CO 0.00 -0.68 0.54 0.41 0.04 0.00 0.00 177.00 177.31 1f1u n GLY 246 N 0.44 1.71 3.13 0.56 0.00 -0.73 -4.98 105.19 105.33 1f1u n GLY 246 Ca 0.08 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.40 2.91 0.20 1.61 6.06 -1.26 -0.23 118.95 125.84 1f1u s ARG 247 Ca 0.20 -0.81 -0.29 0.00 -2.50 0.00 0.00 55.73 52.33 1f1u s ARG 247 Cb -0.02 -2.43 -0.08 0.00 0.06 0.00 0.00 34.95 32.48 1f1u s ARG 247 CO 0.14 -0.11 0.92 -1.01 -2.50 0.00 0.00 175.30 172.74 1f1u s HIS 248 N 1.05 3.94 0.01 5.12 3.76 -0.00 -0.08 115.29 129.09 1f1u s HIS 248 Ca -0.02 1.85 -0.25 0.00 -0.15 0.00 0.00 55.06 56.49 1f1u s HIS 248 Cb -0.14 -2.96 -0.16 0.00 1.11 0.00 0.00 32.58 30.42 1f1u s HIS 248 CO -0.07 0.41 1.17 0.78 -0.85 0.00 0.00 174.74 176.19 1f1u h GLY 249 N 4.50 -0.55 -4.74 -2.22 0.00 -1.11 -2.92 103.07 96.02 1f1u h GLY 249 Ca -0.45 0.20 -0.53 0.00 0.00 0.00 0.00 47.33 46.56 1f1u h GLY 249 CO 0.69 -0.20 0.88 0.14 0.00 0.00 0.00 176.54 178.05 1f1u s VAL 250 N -4.58 3.06 0.00 4.60 1.01 -0.51 -1.98 120.40 122.00 1f1u s VAL 250 Ca -0.14 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1f1u s VAL 250 Cb 0.02 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1f1u s VAL 250 CO 0.50 0.03 0.00 -1.54 0.00 0.00 0.00 175.10 174.09 1f1u n SER 251 N 4.71 0.00 -0.71 3.32 3.41 -1.26 -4.43 113.62 118.66 1f1u n SER 251 Ca 0.14 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.66 1f1u n SER 251 Cb 0.41 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.32 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 -5.29 -4.75 4.04 4.05 -0.84 -4.79 115.26 107.68 1f1u n ASN 252 Ca 0.00 0.23 -0.41 0.00 0.45 0.00 0.00 54.58 54.85 1f1u n ASN 252 Cb 0.00 -3.61 -0.04 0.00 1.23 0.00 0.00 39.78 37.36 1f1u n ASN 252 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1f1u s ALA 253 N -1.96 3.41 -0.33 5.20 0.00 -1.25 -4.73 121.76 122.10 1f1u s ALA 253 Ca 0.00 0.89 -0.25 0.00 0.00 0.00 0.00 51.96 52.60 1f1u s ALA 253 Cb 0.00 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.78 1f1u s ALA 253 CO 0.00 -0.22 0.86 0.12 0.00 0.00 0.00 175.76 176.52 1f1u s PHE 254 N -0.69 3.15 0.30 0.00 5.36 -0.25 -0.82 117.98 125.02 1f1u s PHE 254 Ca 0.47 0.81 0.09 0.00 -0.96 0.00 0.00 56.93 57.35 1f1u s PHE 254 Cb -0.32 -3.43 -0.06 0.00 -0.34 0.00 0.00 43.02 38.88 1f1u s PHE 254 CO 0.39 -0.69 -0.11 1.52 -1.46 0.00 0.00 175.22 174.86 1f1u s TYR 255 N 3.22 2.18 -0.15 10.12 -0.85 0.68 -1.23 117.35 131.33 1f1u s TYR 255 Ca 0.36 -0.52 -0.10 0.00 -0.52 0.00 0.00 57.07 56.28 1f1u s TYR 255 Cb -0.13 -1.16 0.05 0.00 0.38 0.00 0.00 41.96 41.10 1f1u s TYR 255 CO 0.15 0.51 0.36 -1.17 -1.52 0.00 0.00 175.55 173.89 1f1u s LEU 256 N -3.51 0.28 -0.14 -3.49 2.96 -0.04 -1.78 118.68 112.97 1f1u s LEU 256 Ca 0.30 0.77 0.02 0.00 -0.22 0.00 0.00 54.13 55.00 1f1u s LEU 256 Cb 0.01 1.21 0.00 0.00 0.50 0.00 0.00 46.19 47.91 1f1u s LEU 256 CO 0.14 -0.16 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.49 1f1u s TYR 257 N 0.88 2.68 0.31 5.38 2.02 -0.04 -0.37 117.35 128.21 1f1u s TYR 257 Ca -0.06 -1.21 0.06 0.00 -0.37 0.00 0.00 57.07 55.49 1f1u s TYR 257 Cb -0.06 -1.81 -0.06 0.00 -0.40 0.00 0.00 41.96 39.62 1f1u s TYR 257 CO -0.07 -0.54 -0.01 0.96 -1.57 0.00 0.00 175.55 174.32 1f1u s ILE 258 N 0.72 1.55 -0.10 2.71 -4.36 -0.26 -0.70 121.20 120.77 1f1u s ILE 258 Ca -0.09 -2.07 0.03 0.00 -0.26 0.00 0.00 60.65 58.26 1f1u s ILE 258 Cb -0.16 -2.63 0.01 0.00 1.25 0.00 0.00 42.46 40.93 1f1u s ILE 258 CO 0.01 -0.17 -0.20 -0.76 0.24 0.00 0.00 174.94 174.06 1f1u s LEU 259 N -3.49 1.96 1.06 0.37 1.43 0.19 -0.46 118.68 119.74 1f1u s LEU 259 Ca 0.32 -0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 52.74 1f1u s LEU 259 Cb 0.06 -1.27 0.24 0.00 0.03 0.00 0.00 46.19 45.25 1f1u s LEU 259 CO 0.14 0.10 1.26 1.51 0.23 0.00 0.00 176.35 179.59 1f1u s ASP 260 N 0.58 2.22 0.60 2.29 -4.77 0.11 -4.84 116.67 112.86 1f1u s ASP 260 Ca -0.14 0.35 0.31 0.00 -3.30 0.00 0.00 52.55 49.76 1f1u s ASP 260 Cb -0.17 -0.42 1.78 0.00 -1.09 0.00 0.00 42.92 43.02 1f1u s ASP 260 CO 0.04 -3.30 2.16 -0.65 0.70 0.00 0.00 175.17 174.13 1f1u h PRO 261 N -2.03 0.00 -0.50 2.11 0.11 -1.90 0.25 132.00 130.04 1f1u h PRO 261 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 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 0.34 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.88 1f1u n ASP 262 N -3.69 3.51 0.00 -2.05 8.00 -1.26 -4.94 116.55 116.11 1f1u n ASP 262 Ca -0.00 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.51 1f1u n ASP 262 Cb 0.23 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 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 1.54 0.79 3.75 0.44 0.00 0.08 -5.01 105.19 106.77 1f1u n GLY 263 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.89 3.02 -0.17 1.61 3.76 -1.26 -4.65 115.29 114.71 1f1u s HIS 264 Ca 0.00 1.06 -0.16 0.00 -0.15 0.00 0.00 55.06 55.81 1f1u s HIS 264 Cb 0.00 -3.81 -0.04 0.00 1.11 0.00 0.00 32.58 29.84 1f1u s HIS 264 CO 0.00 -2.59 0.41 0.50 -0.85 0.00 0.00 174.74 172.21 1f1u s ARG 265 N -0.50 4.24 -0.14 1.40 3.52 -1.26 -0.71 118.95 125.50 1f1u s ARG 265 Ca 0.58 0.27 -0.00 0.00 -0.13 0.00 0.00 55.73 56.45 1f1u s ARG 265 Cb -0.42 -3.49 -0.01 0.00 -1.56 0.00 0.00 34.95 29.48 1f1u s ARG 265 CO 0.44 0.07 -0.13 0.42 -0.81 0.00 0.00 175.30 175.29 1f1u s ILE 266 N 0.96 2.99 -0.13 4.11 -1.09 0.40 -2.58 121.20 125.85 1f1u s ILE 266 Ca 0.21 -0.67 -0.14 0.00 -2.23 0.00 0.00 60.65 57.82 1f1u s ILE 266 Cb -0.14 -2.26 -0.05 0.00 -1.58 0.00 0.00 42.46 38.42 1f1u s ILE 266 CO 0.08 0.51 0.31 -0.70 -1.23 0.00 0.00 174.94 173.91 1f1u s GLU 267 N 0.55 4.13 -0.11 2.79 2.12 -0.03 -1.10 118.70 127.05 1f1u s GLU 267 Ca -0.08 0.14 0.02 0.00 0.36 0.00 0.00 54.97 55.41 1f1u s GLU 267 Cb -0.16 -3.37 -0.01 0.00 0.26 0.00 0.00 34.13 30.85 1f1u s GLU 267 CO 0.04 0.35 -0.17 0.42 -0.54 0.00 0.00 175.26 175.36 1f1u s ILE 268 N 0.10 2.69 0.25 -3.70 1.09 0.51 -1.07 121.20 121.05 1f1u s ILE 268 Ca 0.18 -0.80 -0.07 0.00 -1.10 0.00 0.00 60.65 58.86 1f1u s ILE 268 Cb -0.14 -2.09 -0.02 0.00 -1.06 0.00 0.00 42.46 39.16 1f1u s ILE 268 CO 0.06 0.54 0.36 -0.72 -0.10 0.00 0.00 174.94 175.08 1f1u s TYR 269 N 0.25 0.73 0.10 3.97 1.13 -0.29 -0.86 117.35 122.38 1f1u s TYR 269 Ca -0.12 -1.02 -0.09 0.00 -1.41 0.00 0.00 57.07 54.43 1f1u s TYR 269 Cb -0.16 -0.10 0.00 0.00 -1.10 0.00 0.00 41.96 40.60 1f1u s TYR 269 CO 0.06 -0.90 0.21 -0.08 -2.51 0.00 0.00 175.55 172.33 1f1u s THR 270 N -3.93 0.13 0.00 -3.49 -1.32 -0.36 -0.95 115.64 105.72 1f1u s THR 270 Ca 0.29 -1.15 0.00 0.00 -1.21 0.00 0.00 61.69 59.62 1f1u s THR 270 Cb 0.02 -1.36 0.00 0.00 -1.51 0.00 0.00 72.50 69.65 1f1u s THR 270 CO 0.12 -0.61 0.00 1.67 -2.21 0.00 0.00 174.62 173.59 1f1u n GLN 271 N -0.08 0.00 -4.59 7.08 7.27 -1.26 -1.09 117.38 124.71 1f1u n GLN 271 Ca -0.15 0.37 -0.27 0.00 0.07 0.00 0.00 57.00 57.03 1f1u n GLN 271 Cb 0.63 -0.48 -0.11 0.00 2.41 0.00 0.00 30.24 32.69 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 3.57 0.14 1.69 1.01 -1.26 -4.27 116.67 117.55 1f1u s ASP 272 Ca 0.00 -1.39 -0.03 0.00 0.71 0.00 0.00 52.55 51.83 1f1u s ASP 272 Cb 0.00 -0.26 -0.03 0.00 1.01 0.00 0.00 42.92 43.64 1f1u s ASP 272 CO 0.00 -0.52 0.12 -0.72 0.21 0.00 0.00 175.17 174.26 1f1u s TYR 273 N -2.85 0.75 -0.14 4.23 -0.85 -1.26 -5.06 117.35 112.17 1f1u s TYR 273 Ca 0.33 -1.12 -0.29 0.00 -0.52 0.00 0.00 57.07 55.47 1f1u s TYR 273 Cb 0.09 -0.37 -0.01 0.00 0.38 0.00 0.00 41.96 42.05 1f1u s TYR 273 CO 0.16 -0.58 1.00 -0.47 -1.52 0.00 0.00 175.55 174.15 1f1u s TYR 274 N -4.03 3.47 -0.14 -3.49 5.04 -1.26 -3.81 117.35 113.13 1f1u s TYR 274 Ca 0.23 1.54 0.09 0.00 -2.44 0.00 0.00 57.07 56.50 1f1u s TYR 274 Cb 0.06 -3.20 0.18 0.00 0.35 0.00 0.00 41.96 39.36 1f1u s TYR 274 CO 0.02 -0.28 1.11 0.25 -1.34 0.00 0.00 175.55 175.30 1f1u n THR 275 N 4.73 1.44 0.48 4.34 -2.24 -0.77 -4.83 114.28 117.44 1f1u n THR 275 Ca 0.09 -1.55 0.13 0.00 -2.27 0.00 0.00 64.05 60.44 1f1u n THR 275 Cb 0.48 0.16 0.46 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.77 -1.47 3.77 3.38 0.00 -1.26 -4.72 105.19 104.12 1f1u n GLY 276 Ca 0.09 0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.44 5.67 0.58 1.61 1.11 -1.26 -4.90 116.67 115.03 1f1u s ASP 277 Ca 0.07 2.17 0.28 0.00 0.18 0.00 0.00 52.55 55.24 1f1u s ASP 277 Cb 0.10 -2.58 1.72 0.00 1.07 0.00 0.00 42.92 43.24 1f1u s ASP 277 CO 0.48 -1.25 2.23 1.55 1.18 0.00 0.00 175.17 179.36 1f1u h PRO 278 N 1.11 0.00 -0.15 8.23 0.13 -2.04 -1.55 132.00 137.73 1f1u h PRO 278 Ca -0.50 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 1f1u h PRO 278 Cb 1.26 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 1f1u h PRO 278 CO 0.57 0.01 -0.25 -0.40 -0.23 0.00 0.00 178.00 177.70 1f1u n ASP 279 N -3.91 2.20 -4.61 1.44 5.75 -1.26 -5.04 116.55 111.12 1f1u n ASP 279 Ca -0.03 -3.72 -0.56 0.00 -0.01 0.00 0.00 54.79 50.47 1f1u n ASP 279 Cb 0.10 -0.56 -0.07 0.00 -1.03 0.00 0.00 41.12 39.56 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 -1.12 1.40 -4.68 -1.12 5.15 -0.58 -4.80 115.26 109.51 1f1u n ASN 280 Ca 0.24 1.13 -0.42 0.00 -0.60 0.00 0.00 54.58 54.92 1f1u n ASN 280 Cb 0.83 -1.09 -0.03 0.00 -0.53 0.00 0.00 39.78 38.96 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 1.30 4.26 0.21 1.20 0.04 -1.26 -4.98 135.00 135.77 1f1u s PRO 281 Ca 0.91 1.92 -0.30 0.00 0.04 0.00 0.00 61.00 63.57 1f1u s PRO 281 Cb -1.10 -3.69 -0.09 0.00 0.04 0.00 0.00 34.50 29.66 1f1u s PRO 281 CO 0.57 -0.65 1.32 0.99 0.04 0.00 0.00 177.00 179.27 1f1u s THR 282 N 2.93 3.14 -0.36 1.26 2.01 -1.26 -4.91 115.64 118.45 1f1u s THR 282 Ca 0.63 0.94 -0.14 0.00 0.31 0.00 0.00 61.69 63.43 1f1u s THR 282 Cb -0.29 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 1f1u s THR 282 CO 0.24 0.14 0.31 -0.63 -0.69 0.00 0.00 174.62 174.00 1f1u s ILE 283 N 0.06 5.22 -0.26 1.82 1.01 -0.65 -4.97 121.20 123.43 1f1u s ILE 283 Ca 0.57 -0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.90 1f1u s ILE 283 Cb -0.37 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 1f1u s ILE 283 CO 0.39 -0.13 0.14 -0.89 0.00 0.00 0.00 174.94 174.45 1f1u s THR 284 N 1.85 4.96 -0.06 2.92 2.01 -1.26 -1.27 115.64 124.79 1f1u s THR 284 Ca 0.08 0.05 -0.08 0.00 0.31 0.00 0.00 61.69 62.05 1f1u s THR 284 Cb -0.17 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 1f1u s THR 284 CO 0.11 0.30 0.23 0.26 -0.69 0.00 0.00 174.62 174.83 1f1u s TRP 285 N 1.54 3.62 0.41 4.92 0.52 0.02 -4.95 118.94 125.01 1f1u s TRP 285 Ca 0.07 0.64 -0.23 0.00 0.02 0.00 0.00 56.10 56.59 1f1u s TRP 285 Cb -0.15 -2.03 -0.09 0.00 -1.15 0.00 0.00 33.47 30.05 1f1u s TRP 285 CO 0.07 0.69 1.03 0.34 0.02 0.00 0.00 176.95 179.10 1f1u s ASP 286 N -1.22 6.75 0.38 2.95 2.15 -1.26 -1.05 116.67 125.36 1f1u s ASP 286 Ca 0.20 1.97 0.27 0.00 0.43 0.00 0.00 52.55 55.42 1f1u s ASP 286 Cb -0.13 -2.58 1.31 0.00 -0.30 0.00 0.00 42.92 41.22 1f1u s ASP 286 CO 0.09 -0.49 1.82 1.62 -0.17 0.00 0.00 175.17 178.04 1f1u h VAL 287 N 2.08 0.00 -0.18 1.11 3.04 -1.70 -1.38 116.25 119.23 1f1u h VAL 287 Ca -0.48 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 1f1u h VAL 287 Cb 1.21 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 1f1u h VAL 287 CO 0.62 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 178.59 1f1u n HIS 288 N -2.47 0.20 -2.84 3.17 8.25 -1.26 -4.86 115.22 115.42 1f1u n HIS 288 Ca -0.00 -0.11 -0.43 0.00 -0.26 0.00 0.00 57.72 56.92 1f1u n HIS 288 Cb 0.14 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.21 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 -1.72 6.36 0.56 0.41 -1.08 -0.52 -4.89 116.67 115.79 1f1u s ASP 289 Ca 0.31 -0.28 0.30 0.00 -0.52 0.00 0.00 52.55 52.37 1f1u s ASP 289 Cb 0.20 -2.44 1.66 0.00 -1.46 0.00 0.00 42.92 40.89 1f1u s ASP 289 CO 0.29 -1.20 2.16 0.78 0.52 0.00 0.00 175.17 177.72 1f1u h ASN 290 N 9.27 0.00 0.50 -0.34 2.35 -1.89 -1.39 115.58 124.09 1f1u h ASN 290 Ca -0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 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 1.08 0.07 0.00 0.00 -1.65 0.00 0.00 177.43 176.92 1f1u n GLN 291 N -3.63 0.18 -0.11 0.81 6.02 -1.26 -1.44 117.38 117.95 1f1u n GLN 291 Ca -0.02 0.49 0.00 0.00 -0.01 0.00 0.00 57.00 57.46 1f1u n GLN 291 Cb 0.17 -1.90 0.28 0.00 1.02 0.00 0.00 30.24 29.82 1f1u n GLN 291 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1f1u h ARG 292 N 0.00 0.77 0.03 -1.09 0.11 -1.60 -2.49 114.38 110.11 1f1u h ARG 292 Ca 0.00 -0.09 -0.16 0.00 0.10 0.00 0.00 59.98 59.83 1f1u h ARG 292 Cb 0.25 -0.15 -0.02 0.00 1.11 0.00 0.00 29.97 31.16 1f1u h ARG 292 CO 0.00 0.59 -0.87 0.00 0.10 0.00 0.00 179.97 179.79 1f1u h ARG 293 N 0.78 0.06 -3.22 0.08 3.08 -1.44 -1.27 114.38 112.43 1f1u h ARG 293 Ca 0.19 -0.10 -0.42 0.00 0.07 0.00 0.00 59.98 59.72 1f1u h ARG 293 Cb 0.07 0.04 -0.40 0.00 0.08 0.00 0.00 29.97 29.75 1f1u h ARG 293 CO -0.03 1.05 -0.75 -0.51 -1.07 0.00 0.00 179.97 178.66 1f1u s ASP 294 N -6.69 1.82 0.47 7.04 1.01 -0.89 -4.19 116.67 115.25 1f1u s ASP 294 Ca -0.23 -0.30 0.12 0.00 0.71 0.00 0.00 52.55 52.85 1f1u s ASP 294 Cb 0.03 -0.23 1.10 0.00 1.01 0.00 0.00 42.92 44.82 1f1u s ASP 294 CO 0.66 -0.30 2.11 -0.25 0.21 0.00 0.00 175.17 177.61 1f1u h TRP 295 N 8.41 0.21 -0.01 4.23 2.91 -0.53 -2.60 115.95 128.57 1f1u h TRP 295 Ca -0.14 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.88 1f1u h TRP 295 Cb 1.13 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 29.71 1f1u h TRP 295 CO 0.31 0.14 -0.51 0.91 -1.03 0.00 0.00 178.44 178.26 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 -0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.18 1f1u n TRP 296 Cb 0.08 -0.08 0.00 0.00 -2.01 0.00 0.00 31.31 29.29 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 0.66 3.49 6.99 0.00 -0.98 -5.03 105.19 111.74 1f1u n GLY 297 Ca 0.09 -0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 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 0.40 -0.17 -4.73 1.61 4.13 -1.26 -4.85 115.26 110.40 1f1u n ASN 298 Ca 0.00 1.04 -0.39 0.00 1.68 0.00 0.00 54.58 56.91 1f1u n ASN 298 Cb 0.00 -1.15 0.04 0.00 -1.54 0.00 0.00 39.78 37.13 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 0.70 1.74 -2.09 3.52 -0.02 -1.26 -4.91 135.00 132.68 1f1u n PRO 299 Ca 0.12 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.82 1f1u n PRO 299 Cb 0.34 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.27 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 -1.28 2.81 -0.36 -1.45 1.01 -1.26 -5.01 120.40 114.86 1f1u s VAL 300 Ca 0.69 0.71 -0.08 0.00 0.00 0.00 0.00 61.98 63.30 1f1u s VAL 300 Cb -0.43 -3.45 0.04 0.00 0.00 0.00 0.00 36.38 32.53 1f1u s VAL 300 CO 0.51 0.13 0.16 -0.69 0.00 0.00 0.00 175.10 175.21 1f1u s VAL 301 N -0.30 4.14 0.31 2.92 1.01 -1.26 -5.01 120.40 122.21 1f1u s VAL 301 Ca 0.56 -1.07 0.07 0.00 0.00 0.00 0.00 61.98 61.53 1f1u s VAL 301 Cb -0.40 -3.36 0.31 0.00 0.00 0.00 0.00 36.38 32.93 1f1u s VAL 301 CO 0.45 -0.25 1.78 -0.65 0.00 0.00 0.00 175.10 176.43 1f1u h PRO 302 N 8.33 0.72 0.00 2.72 0.11 -1.96 -1.99 132.00 139.93 1f1u h PRO 302 Ca -0.24 -0.04 -0.02 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 32.03 1f1u h PRO 302 CO 0.65 0.48 -0.10 0.66 -0.21 0.00 0.00 178.00 179.47 1f1u h SER 303 N 0.74 0.00 0.31 -2.05 4.64 -1.97 -1.22 113.55 114.00 1f1u h SER 303 Ca 0.57 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1f1u h SER 303 Cb 0.92 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1f1u h SER 303 CO -0.37 0.10 -0.01 -0.25 -0.87 0.00 0.00 176.83 175.43 1f1u h TRP 304 N 0.00 0.00 -0.01 4.77 7.01 -1.68 -0.16 115.95 125.88 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 0.27 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.33 1f1u h TRP 304 CO 0.00 0.01 -0.28 0.66 -2.79 0.00 0.00 178.44 176.04 1f1u n TYR 305 N -3.20 0.00 -0.01 2.65 4.01 -0.47 -4.63 117.16 115.50 1f1u n TYR 305 Ca -0.02 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.70 1f1u n TYR 305 Cb 0.15 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.16 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 0.06 0.19 -3.73 -0.72 -2.24 -0.76 -5.03 114.28 102.05 1f1u n THR 306 Ca 0.07 -0.10 -0.36 0.00 -2.27 0.00 0.00 64.05 61.39 1f1u n THR 306 Cb 0.36 -0.83 -0.06 0.00 -2.10 0.00 0.00 70.33 67.70 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 -2.07 3.62 -0.06 -0.78 0.41 -0.14 -5.07 118.70 114.61 1f1u s GLU 307 Ca -0.02 0.03 -0.29 0.00 -0.41 0.00 0.00 54.97 54.27 1f1u s GLU 307 Cb 0.01 -3.13 0.10 0.00 -1.78 0.00 0.00 34.13 29.33 1f1u s GLU 307 CO 0.10 0.68 0.88 0.00 -0.49 0.00 0.00 175.26 176.43 1f1u s ALA 308 N -1.19 -1.84 0.24 5.21 0.00 -1.26 -4.84 121.76 118.08 1f1u s ALA 308 Ca 0.24 1.24 -0.23 0.00 0.00 0.00 0.00 51.96 53.20 1f1u s ALA 308 Cb -0.14 -0.03 -0.09 0.00 0.00 0.00 0.00 23.12 22.87 1f1u s ALA 308 CO 0.13 -0.51 0.81 -1.12 0.00 0.00 0.00 175.76 175.07 1f1u s SER 309 N -1.81 7.24 0.78 0.00 0.01 0.21 -4.79 113.70 115.34 1f1u s SER 309 Ca -0.00 1.62 -0.13 0.00 1.31 0.00 0.00 55.95 58.75 1f1u s SER 309 Cb -0.01 -2.49 0.07 0.00 0.21 0.00 0.00 66.02 63.80 1f1u s SER 309 CO -0.03 0.04 1.18 -0.76 0.41 0.00 0.00 173.24 174.08 1f1u s LEU 310 N -1.79 3.16 0.21 2.44 1.43 -1.26 -0.39 118.68 122.47 1f1u s LEU 310 Ca 0.44 2.25 0.11 0.00 -1.03 0.00 0.00 54.13 55.89 1f1u s LEU 310 Cb -0.19 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.41 1f1u s LEU 310 CO 0.23 -2.46 -0.21 0.68 0.23 0.00 0.00 176.35 174.82 1f1u s VAL 311 N -2.27 2.48 0.19 -1.59 -7.23 -1.26 -0.26 120.40 110.46 1f1u s VAL 311 Ca 0.71 -2.06 0.04 0.00 -1.81 0.00 0.00 61.98 58.86 1f1u s VAL 311 Cb -0.26 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 1f1u s VAL 311 CO 0.50 -0.17 0.26 -0.76 -0.31 0.00 0.00 175.10 174.62 1f1u s LEU 312 N -2.85 4.14 0.00 1.32 1.43 0.20 -0.25 118.68 122.67 1f1u s LEU 312 Ca 0.23 0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.32 1f1u s LEU 312 Cb -0.07 -2.71 0.10 0.00 0.03 0.00 0.00 46.19 43.53 1f1u s LEU 312 CO 0.11 0.01 0.63 -0.90 0.23 0.00 0.00 176.35 176.44 1f1u n ASP 313 N -0.80 0.56 0.05 2.29 5.68 0.45 -4.21 116.55 120.58 1f1u n ASP 313 Ca -0.08 -1.54 0.11 0.00 -0.50 0.00 0.00 54.79 52.78 1f1u n ASP 313 Cb 0.55 -0.44 0.44 0.00 -1.14 0.00 0.00 41.12 40.54 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 0.32 -0.58 -2.12 4.77 -1.26 -1.74 117.00 116.40 1f1u n LEU 314 Ca 0.10 0.56 0.13 0.00 -0.03 0.00 0.00 56.01 56.77 1f1u n LEU 314 Cb 0.34 -0.49 0.44 0.00 -2.33 0.00 0.00 43.42 41.37 1f1u n LEU 314 CO 0.23 -0.28 0.82 0.47 -1.33 0.00 0.00 177.39 177.30 1f1u n ASP 315 N -1.84 1.79 0.00 -1.43 8.00 -1.26 -4.93 116.55 116.88 1f1u n ASP 315 Ca 0.04 -1.61 0.00 0.00 0.71 0.00 0.00 54.79 53.93 1f1u n ASP 315 Cb 0.26 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 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 1.20 0.71 3.87 0.44 0.00 -0.71 -5.06 105.19 105.64 1f1u n GLY 316 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.15 6.21 0.32 1.61 0.01 -1.26 -4.82 114.94 114.86 1f1u s ASN 317 Ca 0.00 0.30 -0.29 0.00 -0.71 0.00 0.00 52.86 52.16 1f1u s ASN 317 Cb 0.00 -1.92 -0.12 0.00 0.41 0.00 0.00 41.25 39.63 1f1u s ASN 317 CO 0.00 0.27 1.47 -2.65 -1.51 0.00 0.00 177.10 174.68 1f1u n PRO 318 N 1.04 2.45 -2.43 -0.60 -0.02 -1.26 -0.41 135.00 133.78 1f1u n PRO 318 Ca -0.12 0.87 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 1f1u n PRO 318 Cb 0.53 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 1f1u n PRO 318 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1f1u s GLN 319 N -1.21 4.42 0.43 -0.52 -1.52 0.65 -4.76 119.66 117.15 1f1u s GLN 319 Ca 0.60 1.75 -0.26 0.00 -1.95 0.00 0.00 55.36 55.51 1f1u s GLN 319 Cb -0.53 -3.39 -0.09 0.00 -0.22 0.00 0.00 33.01 28.78 1f1u s GLN 319 CO 0.56 -0.29 1.41 -2.14 -0.25 0.00 0.00 175.29 174.57 1f1u s PRO 320 N 1.28 3.78 -0.23 2.91 0.02 -1.26 -4.73 135.00 136.78 1f1u s PRO 320 Ca 0.58 2.38 -0.22 0.00 0.02 0.00 0.00 61.00 63.76 1f1u s PRO 320 Cb -0.29 -2.70 -0.02 0.00 0.02 0.00 0.00 34.50 31.51 1f1u s PRO 320 CO 0.28 -0.72 0.70 0.08 -0.33 0.00 0.00 177.00 177.00 1f1u s VAL 321 N -1.21 4.95 -0.10 3.83 1.01 -1.26 -4.42 120.40 123.20 1f1u s VAL 321 Ca 0.59 1.30 -0.18 0.00 0.00 0.00 0.00 61.98 63.69 1f1u s VAL 321 Cb -0.43 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 1f1u s VAL 321 CO 0.55 0.03 0.48 -0.63 0.00 0.00 0.00 175.10 175.53 1f1u s ILE 322 N 2.39 5.15 -2.00 2.22 -1.09 0.39 -4.84 121.20 123.42 1f1u s ILE 322 Ca 0.30 0.97 0.32 0.00 -2.23 0.00 0.00 60.65 60.01 1f1u s ILE 322 Cb -0.16 -3.82 0.90 0.00 -1.58 0.00 0.00 42.46 37.81 1f1u s ILE 322 CO 0.09 0.35 2.22 0.52 -1.23 0.00 0.00 174.94 176.89