#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8y s LEU 12 N 0.00 3.69 0.51 1.04 1.43 -1.26 -5.04 118.68 119.05 1u8y s LEU 12 Ca 0.00 0.86 -0.22 0.00 -1.03 0.00 0.00 54.13 53.74 1u8y s LEU 12 Cb 0.00 -3.80 -0.06 0.00 0.03 0.00 0.00 46.19 42.36 1u8y s LEU 12 CO 0.00 -0.53 1.24 0.00 0.23 0.00 0.00 176.35 177.28 1u8y s ALA 13 N -2.67 2.84 -0.26 4.21 0.00 -1.26 -4.81 121.76 119.81 1u8y s ALA 13 Ca 0.46 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.52 1u8y s ALA 13 Cb -0.10 -3.46 0.07 0.00 0.00 0.00 0.00 23.12 19.63 1u8y s ALA 13 CO 0.43 -0.99 -0.02 -1.17 0.00 0.00 0.00 175.76 174.01 1u8y s LEU 14 N -3.39 2.95 -0.34 0.00 2.96 -1.26 -0.41 118.68 119.19 1u8y s LEU 14 Ca 0.69 -1.40 -0.17 0.00 -0.22 0.00 0.00 54.13 53.02 1u8y s LEU 14 Cb -0.33 -1.24 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 1u8y s LEU 14 CO 0.39 -0.28 0.47 -1.00 -1.32 0.00 0.00 176.35 174.61 1u8y s HIS 15 N 1.32 3.20 -0.49 5.38 3.76 0.32 -4.95 115.29 123.82 1u8y s HIS 15 Ca -0.02 0.16 -0.21 0.00 -0.15 0.00 0.00 55.06 54.84 1u8y s HIS 15 Cb -0.19 -2.83 0.04 0.00 1.11 0.00 0.00 32.58 30.72 1u8y s HIS 15 CO -0.09 -0.48 0.73 0.15 -0.85 0.00 0.00 174.74 174.20 1u8y s LYS 16 N 2.27 3.24 -0.10 1.40 3.01 -1.26 -0.73 119.74 127.57 1u8y s LYS 16 Ca 0.17 -0.52 -0.05 0.00 -1.01 0.00 0.00 55.97 54.56 1u8y s LYS 16 Cb -0.16 -4.03 -0.04 0.00 -1.01 0.00 0.00 37.83 32.59 1u8y s LYS 16 CO 0.12 -1.22 0.07 0.08 0.51 0.00 0.00 175.35 174.92 1u8y s VAL 17 N 3.08 4.94 -0.08 3.17 1.01 0.93 -0.76 120.40 132.69 1u8y s VAL 17 Ca 0.22 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.24 1u8y s VAL 17 Cb -0.15 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 1u8y s VAL 17 CO 0.17 0.61 -0.24 -0.63 0.00 0.00 0.00 175.10 175.01 1u8y s ILE 18 N -0.96 2.13 -0.20 2.22 -1.09 0.02 -1.04 121.20 122.27 1u8y s ILE 18 Ca 0.14 -1.01 -0.16 0.00 -2.23 0.00 0.00 60.65 57.39 1u8y s ILE 18 Cb -0.12 -1.80 -0.04 0.00 -1.58 0.00 0.00 42.46 38.93 1u8y s ILE 18 CO 0.03 0.56 0.42 -0.04 -1.23 0.00 0.00 174.94 174.69 1u8y s MET 19 N 0.13 4.17 0.08 2.79 -1.94 -0.51 -1.44 119.30 122.59 1u8y s MET 19 Ca -0.12 0.24 0.05 0.00 -1.71 0.00 0.00 55.69 54.15 1u8y s MET 19 Cb -0.16 -3.55 -0.03 0.00 2.01 0.00 0.00 34.83 33.10 1u8y s MET 19 CO 0.07 -0.07 -0.14 0.14 -0.01 0.00 0.00 175.02 175.01 1u8y s VAL 20 N 1.40 1.15 0.00 -6.03 -7.23 -0.74 -4.21 120.40 104.73 1u8y s VAL 20 Ca 0.20 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 1u8y s VAL 20 Cb -0.15 -1.15 0.00 0.00 0.56 0.00 0.00 36.38 35.64 1u8y s VAL 20 CO 0.08 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 1u8y n GLY 21 N 1.15 3.76 3.58 2.32 0.00 -1.26 -0.88 105.19 113.86 1u8y n GLY 21 Ca -0.20 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 1u8y n GLY 21 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1u8y n SER 22 N 0.00 -0.48 -4.77 1.61 7.64 -1.26 -4.26 113.62 112.09 1u8y n SER 22 Ca 0.00 0.30 -0.41 0.00 1.01 0.00 0.00 58.87 59.77 1u8y n SER 22 Cb 0.00 -1.38 -0.01 0.00 -1.01 0.00 0.00 64.21 61.81 1u8y n SER 22 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1u8y s GLY 23 N -2.47 2.86 0.00 0.23 0.00 -1.26 -2.96 107.32 103.72 1u8y s GLY 23 Ca 0.65 1.51 0.00 0.00 0.00 0.00 0.00 44.72 46.88 1u8y s GLY 23 CO 0.61 2.22 0.00 0.61 0.00 0.00 0.00 173.10 176.54 1u8y n GLY 24 N 0.74 0.94 0.25 0.20 0.00 -1.26 -4.91 105.19 101.14 1u8y n GLY 24 Ca 0.02 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.19 1u8y n GLY 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1u8y h VAL 25 N 0.00 0.00 0.00 1.61 -1.51 -1.89 -3.47 116.25 110.99 1u8y h VAL 25 Ca 0.00 -0.58 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 1u8y h VAL 25 Cb 0.00 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 1u8y h VAL 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1u8y n GLY 26 N 0.29 1.76 0.12 5.19 0.00 -1.26 -4.54 105.19 106.75 1u8y n GLY 26 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1u8y n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u8y h LYS 27 N 0.00 0.19 -0.32 1.61 1.57 -1.90 -0.58 116.57 117.14 1u8y h LYS 27 Ca 0.00 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1u8y h LYS 27 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1u8y h LYS 27 CO 0.00 0.12 -0.08 0.77 -0.57 0.00 0.00 179.45 179.70 1u8y h SER 28 N 0.19 0.62 -0.72 0.86 0.02 -1.95 -2.19 113.55 110.38 1u8y h SER 28 Ca 0.10 -0.36 0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1u8y h SER 28 Cb 0.06 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 1u8y h SER 28 CO -0.10 0.84 0.47 0.00 -1.14 0.00 0.00 176.83 176.90 1u8y h ALA 29 N 0.80 0.93 -0.53 3.77 0.00 -1.88 0.52 119.26 122.87 1u8y h ALA 29 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1u8y h ALA 29 Cb 0.57 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1u8y h ALA 29 CO 0.03 0.28 0.24 -0.07 0.00 0.00 0.00 179.25 179.73 1u8y h LEU 30 N 0.93 0.71 -0.44 0.00 3.38 -1.04 -0.35 115.31 118.50 1u8y h LEU 30 Ca 0.28 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1u8y h LEU 30 Cb -0.04 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1u8y h LEU 30 CO -0.09 0.66 0.25 0.74 0.09 0.00 0.00 178.44 180.09 1u8y h THR 31 N 0.71 1.16 -0.07 0.22 2.02 -0.76 -1.38 112.91 114.81 1u8y h THR 31 Ca 0.18 -0.39 -0.14 0.00 0.77 0.00 0.00 66.41 66.83 1u8y h THR 31 Cb 0.15 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1u8y h THR 31 CO -0.02 0.16 -0.58 -0.07 0.37 0.00 0.00 175.52 175.39 1u8y h LEU 32 N 0.58 0.26 -0.33 2.58 3.38 -0.73 -0.17 115.31 120.88 1u8y h LEU 32 Ca 0.16 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1u8y h LEU 32 Cb 0.04 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1u8y h LEU 32 CO -0.03 0.78 -0.13 -0.61 0.09 0.00 0.00 178.44 178.54 1u8y h GLN 33 N 0.17 0.67 -0.35 1.13 5.75 -0.92 0.13 115.11 121.70 1u8y h GLN 33 Ca -0.00 -0.28 -0.05 0.00 -0.15 0.00 0.00 58.65 58.17 1u8y h GLN 33 Cb 1.06 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.58 1u8y h GLN 33 CO 0.09 0.86 0.04 0.35 -2.65 0.00 0.00 178.83 177.52 1u8y h PHE 34 N 0.44 0.63 -0.04 3.99 3.57 -1.12 0.04 116.94 124.44 1u8y h PHE 34 Ca 0.08 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1u8y h PHE 34 Cb 0.65 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 1u8y h PHE 34 CO 0.06 0.66 -0.03 0.52 -2.23 0.00 0.00 178.31 177.29 1u8y h MET 35 N 0.41 0.09 0.00 1.11 2.86 -0.98 -3.39 114.93 115.02 1u8y h MET 35 Ca 0.10 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1u8y h MET 35 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1u8y h MET 35 CO 0.01 0.53 0.00 0.66 1.06 0.00 0.00 176.91 179.17 1u8y n TYR 36 N -4.79 0.00 -3.67 -0.22 4.02 0.02 -5.01 117.16 107.51 1u8y n TYR 36 Ca -0.08 -0.14 -0.23 0.00 -0.01 0.00 0.00 57.90 57.44 1u8y n TYR 36 Cb 0.27 -0.01 0.06 0.00 -0.02 0.00 0.00 39.34 39.63 1u8y n TYR 36 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1u8y n ASP 37 N -0.14 -3.78 -4.06 7.72 2.03 -0.00 -4.99 116.55 113.34 1u8y n ASP 37 Ca 0.00 -0.69 -0.22 0.00 0.52 0.00 0.00 54.79 54.41 1u8y n ASP 37 Cb 0.10 -4.51 -0.15 0.00 -0.72 0.00 0.00 41.12 35.83 1u8y n ASP 37 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1u8y s GLU 38 N -6.11 1.11 -0.05 -0.67 2.02 -1.24 -5.00 118.70 108.76 1u8y s GLU 38 Ca 0.34 -0.42 -0.02 0.00 0.02 0.00 0.00 54.97 54.89 1u8y s GLU 38 Cb -0.16 -1.03 0.03 0.00 0.10 0.00 0.00 34.13 33.07 1u8y s GLU 38 CO 0.78 0.21 0.06 0.12 0.02 0.00 0.00 175.26 176.44 1u8y s PHE 39 N -0.06 0.12 -0.28 1.61 5.36 -1.26 -3.49 117.98 119.98 1u8y s PHE 39 Ca 0.01 0.20 0.01 0.00 -0.96 0.00 0.00 56.93 56.18 1u8y s PHE 39 Cb -0.07 -0.52 0.08 0.00 -0.34 0.00 0.00 43.02 42.17 1u8y s PHE 39 CO 0.00 -0.21 0.03 0.08 -1.46 0.00 0.00 175.22 173.66 1u8y s VAL 40 N 2.15 1.35 0.31 3.12 1.01 -1.26 -5.07 120.40 122.01 1u8y s VAL 40 Ca 0.05 -1.46 -0.29 0.00 0.00 0.00 0.00 61.98 60.28 1u8y s VAL 40 Cb -0.12 -1.86 -0.13 0.00 0.00 0.00 0.00 36.38 34.27 1u8y s VAL 40 CO -0.03 -0.43 1.29 1.21 0.00 0.00 0.00 175.10 177.14 1u8y n GLU 41 N 4.68 2.03 -0.99 2.72 2.13 -1.26 -1.74 120.64 128.21 1u8y n GLU 41 Ca -0.05 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.49 1u8y n GLU 41 Cb 0.43 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.85 1u8y n GLU 41 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1u8y n ASP 42 N 1.18 -3.47 -4.65 4.31 8.00 -1.26 -5.00 116.55 115.67 1u8y n ASP 42 Ca 0.07 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.15 1u8y n ASP 42 Cb 0.34 -1.14 -0.04 0.00 -0.02 0.00 0.00 41.12 40.26 1u8y n ASP 42 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1u8y s TYR 43 N -1.86 3.32 -0.55 1.24 5.04 -0.71 -5.01 117.35 118.81 1u8y s TYR 43 Ca 0.00 1.15 -0.04 0.00 -2.44 0.00 0.00 57.07 55.75 1u8y s TYR 43 Cb 0.00 -3.05 0.14 0.00 0.35 0.00 0.00 41.96 39.41 1u8y s TYR 43 CO 0.00 -0.38 0.37 -2.00 -1.34 0.00 0.00 175.55 172.20 1u8y s GLU 44 N 2.77 2.41 0.05 4.97 2.12 -1.26 -4.95 118.70 124.82 1u8y s GLU 44 Ca 0.35 -2.26 -0.01 0.00 0.36 0.00 0.00 54.97 53.41 1u8y s GLU 44 Cb -0.15 -3.72 0.01 0.00 0.26 0.00 0.00 34.13 30.53 1u8y s GLU 44 CO 0.08 -1.15 0.05 -0.35 -0.54 0.00 0.00 175.26 173.34 1u8y n PRO 45 N 3.93 -1.02 0.00 4.30 -0.04 -1.26 -5.25 135.00 135.66 1u8y n PRO 45 Ca 0.04 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1u8y n PRO 45 Cb 0.39 -0.07 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 1u8y n PRO 45 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1u8y n LYS 47 N -1.60 0.00 -1.37 0.54 4.81 -1.26 -5.21 118.16 114.06 1u8y n LYS 47 Ca 0.01 0.00 -0.54 0.00 -0.87 0.00 0.00 58.31 56.90 1u8y n LYS 47 Cb 0.02 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.98 1u8y n LYS 47 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1u8y n SER 50 N -3.71 1.60 -4.80 3.14 2.88 -1.26 -5.07 113.62 106.39 1u8y n SER 50 Ca 0.00 0.53 -0.36 0.00 -1.33 0.00 0.00 58.87 57.71 1u8y n SER 50 Cb 0.00 -1.12 -0.07 0.00 -0.75 0.00 0.00 64.21 62.27 1u8y n SER 50 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1u8y s TYR 51 N 6.73 3.48 0.14 0.66 1.51 -0.01 -4.90 117.35 124.96 1u8y s TYR 51 Ca 1.13 0.41 0.10 0.00 -1.01 0.00 0.00 57.07 57.70 1u8y s TYR 51 Cb -1.11 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 38.71 1u8y s TYR 51 CO 0.56 0.55 -0.25 1.03 -1.11 0.00 0.00 175.55 176.33 1u8y s ARG 52 N -0.54 1.36 -0.25 -0.62 0.52 -1.26 -0.02 118.95 118.13 1u8y s ARG 52 Ca 0.12 -1.35 -0.25 0.00 -0.52 0.00 0.00 55.73 53.74 1u8y s ARG 52 Cb -0.12 -1.75 0.07 0.00 0.52 0.00 0.00 34.95 33.68 1u8y s ARG 52 CO 0.02 0.40 0.70 0.21 0.02 0.00 0.00 175.30 176.65 1u8y s LYS 53 N -2.19 0.83 -0.15 3.54 2.20 -0.82 -4.99 119.74 118.15 1u8y s LYS 53 Ca 0.14 0.93 -0.17 0.00 -0.36 0.00 0.00 55.97 56.51 1u8y s LYS 53 Cb -0.09 0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 36.59 1u8y s LYS 53 CO 0.06 -0.11 0.44 0.15 -0.36 0.00 0.00 175.35 175.53 1u8y s LYS 54 N 0.28 4.28 0.11 4.03 1.02 -1.26 -1.26 119.74 126.94 1u8y s LYS 54 Ca -0.01 0.34 -0.00 0.00 0.02 0.00 0.00 55.97 56.32 1u8y s LYS 54 Cb -0.05 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 1u8y s LYS 54 CO 0.01 0.10 0.01 0.14 -0.92 0.00 0.00 175.35 174.69 1u8y s VAL 55 N 0.84 0.29 -0.38 3.17 -7.23 -0.50 -4.98 120.40 111.61 1u8y s VAL 55 Ca 0.23 -1.89 -0.11 0.00 -1.81 0.00 0.00 61.98 58.39 1u8y s VAL 55 Cb -0.15 -1.85 0.03 0.00 0.56 0.00 0.00 36.38 34.97 1u8y s VAL 55 CO 0.09 -0.68 0.22 -0.69 -0.31 0.00 0.00 175.10 173.72 1u8y s VAL 56 N -3.90 4.65 -0.44 1.32 1.01 -1.26 -0.38 120.40 121.40 1u8y s VAL 56 Ca 0.17 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 61.16 1u8y s VAL 56 Cb 0.07 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.90 1u8y s VAL 56 CO -0.02 -0.24 0.37 -0.22 0.00 0.00 0.00 175.10 174.98 1u8y s LEU 57 N 1.57 5.23 -1.47 3.92 2.96 0.12 -4.50 118.68 126.51 1u8y s LEU 57 Ca 0.02 -1.00 -0.07 0.00 -0.22 0.00 0.00 54.13 52.87 1u8y s LEU 57 Cb -0.19 -2.22 0.05 0.00 0.50 0.00 0.00 46.19 44.33 1u8y s LEU 57 CO 0.07 -0.55 0.68 0.47 -1.32 0.00 0.00 176.35 175.70 1u8y n ASP 58 N 5.29 -2.09 0.00 3.68 8.00 -1.26 -1.31 116.55 128.86 1u8y n ASP 58 Ca -0.11 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1u8y n ASP 58 Cb 0.46 -3.43 0.00 0.00 -0.02 0.00 0.00 41.12 38.13 1u8y n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u8y n GLY 59 N -1.72 1.18 3.29 0.44 0.00 -1.26 -5.03 105.19 102.08 1u8y n GLY 59 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1u8y n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u8y s GLU 60 N -0.34 3.28 0.00 1.61 2.12 -0.43 -5.08 118.70 119.87 1u8y s GLU 60 Ca 0.00 -0.70 -0.30 0.00 0.36 0.00 0.00 54.97 54.33 1u8y s GLU 60 Cb 0.00 -2.75 -0.05 0.00 0.26 0.00 0.00 34.13 31.59 1u8y s GLU 60 CO 0.00 -0.04 1.27 -2.00 -0.54 0.00 0.00 175.26 173.95 1u8y s GLU 61 N 0.99 4.35 0.31 4.30 2.12 -1.26 0.15 118.70 129.67 1u8y s GLU 61 Ca -0.01 1.80 0.04 0.00 0.36 0.00 0.00 54.97 57.16 1u8y s GLU 61 Cb -0.15 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 1u8y s GLU 61 CO -0.02 -0.42 0.18 0.14 -0.54 0.00 0.00 175.26 174.60 1u8y s VAL 62 N 1.86 0.25 -0.09 3.70 -7.23 0.49 -4.55 120.40 114.84 1u8y s VAL 62 Ca 0.59 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.81 1u8y s VAL 62 Cb -0.29 -2.49 -0.00 0.00 0.56 0.00 0.00 36.38 34.16 1u8y s VAL 62 CO 0.26 0.00 -0.24 -1.10 -0.31 0.00 0.00 175.10 173.71 1u8y s GLN 63 N -3.76 2.82 -0.06 4.82 -0.21 0.45 -1.41 119.66 122.31 1u8y s GLN 63 Ca 0.36 -0.86 0.00 0.00 0.02 0.00 0.00 55.36 54.88 1u8y s GLN 63 Cb 0.04 -2.20 -0.03 0.00 1.00 0.00 0.00 33.01 31.82 1u8y s GLN 63 CO 0.19 0.23 -0.04 -1.50 -2.12 0.00 0.00 175.29 172.05 1u8y s ILE 64 N 0.21 3.97 -0.15 1.08 2.07 -0.39 -0.53 121.20 127.47 1u8y s ILE 64 Ca -0.14 -0.43 0.01 0.00 -1.41 0.00 0.00 60.65 58.68 1u8y s ILE 64 Cb -0.17 -2.66 0.02 0.00 0.13 0.00 0.00 42.46 39.78 1u8y s ILE 64 CO 0.07 0.56 -0.17 -0.62 -1.91 0.00 0.00 174.94 172.87 1u8y s ASP 65 N -0.97 2.81 -0.20 4.50 -1.08 0.09 -1.95 116.67 119.87 1u8y s ASP 65 Ca 0.14 -0.53 -0.02 0.00 -0.52 0.00 0.00 52.55 51.61 1u8y s ASP 65 Cb -0.11 -1.28 -0.00 0.00 -1.46 0.00 0.00 42.92 40.07 1u8y s ASP 65 CO 0.03 -0.01 -0.08 -0.63 0.52 0.00 0.00 175.17 175.00 1u8y s ILE 66 N 1.23 3.07 -0.39 4.11 1.01 0.97 -0.05 121.20 131.15 1u8y s ILE 66 Ca 0.01 -0.60 -0.16 0.00 0.00 0.00 0.00 60.65 59.90 1u8y s ILE 66 Cb -0.14 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 39.97 1u8y s ILE 66 CO -0.08 0.46 0.35 -0.22 0.00 0.00 0.00 174.94 175.45 1u8y s LEU 67 N 1.30 4.79 -0.81 2.97 2.96 -0.20 -0.83 118.68 128.86 1u8y s LEU 67 Ca 0.04 -0.61 -0.13 0.00 -0.22 0.00 0.00 54.13 53.21 1u8y s LEU 67 Cb -0.14 -2.28 0.21 0.00 0.50 0.00 0.00 46.19 44.49 1u8y s LEU 67 CO -0.04 -0.44 0.74 -0.62 -1.32 0.00 0.00 176.35 174.67 1u8y s ASP 68 N 1.74 6.60 0.52 3.68 2.15 -1.26 -1.42 116.67 128.68 1u8y s ASP 68 Ca 0.09 -2.74 -0.02 0.00 0.43 0.00 0.00 52.55 50.31 1u8y s ASP 68 Cb -0.18 -2.17 0.01 0.00 -0.30 0.00 0.00 42.92 40.28 1u8y s ASP 68 CO 0.12 -0.54 0.78 0.42 -0.17 0.00 0.00 175.17 175.77 1u8y s THR 69 N 0.10 3.69 0.35 1.71 -4.23 -1.26 -4.94 115.64 111.06 1u8y s THR 69 Ca 0.18 -0.32 -0.26 0.00 -1.18 0.00 0.00 61.69 60.11 1u8y s THR 69 Cb -0.11 -3.41 -0.09 0.00 1.34 0.00 0.00 72.50 70.23 1u8y s THR 69 CO -0.08 -0.34 1.05 0.00 -0.54 0.00 0.00 174.62 174.71 1u8y s ALA 70 N -2.76 3.19 -0.65 3.99 0.00 -1.26 -4.93 121.76 119.35 1u8y s ALA 70 Ca 0.52 0.75 -0.28 0.00 0.00 0.00 0.00 51.96 52.94 1u8y s ALA 70 Cb -0.10 -3.28 -0.29 0.00 0.00 0.00 0.00 23.12 19.45 1u8y s ALA 70 CO 0.41 -0.16 1.90 0.41 0.00 0.00 0.00 175.76 178.31 1u8y n GLY 71 N 0.64 0.08 0.00 0.00 0.00 -1.26 -4.97 105.19 99.69 1u8y n GLY 71 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1u8y n GLY 71 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u8y n PHE 83 N 15.05 0.00 -0.11 1.61 -0.00 -1.26 -4.70 117.46 128.05 1u8y n PHE 83 Ca 0.44 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.74 1u8y n PHE 83 Cb 0.45 0.00 -0.14 0.00 -0.00 0.00 0.00 39.48 39.79 1u8y n PHE 83 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1u8y n ARG 84 N 0.00 0.67 0.12 -4.13 5.12 -1.26 -4.21 116.66 112.97 1u8y n ARG 84 Ca 0.00 0.09 0.12 0.00 -1.93 0.00 0.00 57.85 56.13 1u8y n ARG 84 Cb 0.00 -1.53 0.46 0.00 -1.16 0.00 0.00 32.46 30.23 1u8y n ARG 84 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1u8y n SER 85 N -3.04 0.73 -4.77 0.55 2.88 -1.26 -4.83 113.62 103.88 1u8y n SER 85 Ca -0.39 0.63 -0.40 0.00 -1.33 0.00 0.00 58.87 57.37 1u8y n SER 85 Cb 1.07 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1u8y n SER 85 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1u8y s GLY 86 N -3.56 2.94 -0.12 0.46 0.00 -1.26 -4.92 107.32 100.86 1u8y s GLY 86 Ca 0.07 1.43 0.16 0.00 0.00 0.00 0.00 44.72 46.37 1u8y s GLY 86 CO 0.48 2.06 0.17 1.18 0.00 0.00 0.00 173.10 176.99 1u8y n GLU 87 N 0.24 1.05 -3.93 2.90 1.02 0.06 -5.00 120.64 116.97 1u8y n GLU 87 Ca 0.03 -0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 57.01 1u8y n GLU 87 Cb 0.41 -1.43 -0.10 0.00 -0.02 0.00 0.00 31.44 30.31 1u8y n GLU 87 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1u8y s GLY 88 N -4.72 0.17 -0.04 0.62 0.00 -0.63 -4.06 107.32 98.66 1u8y s GLY 88 Ca -0.08 -0.44 0.03 0.00 0.00 0.00 0.00 44.72 44.23 1u8y s GLY 88 CO 0.70 -0.55 -0.12 -1.36 0.00 0.00 0.00 173.10 171.77 1u8y s PHE 89 N -1.75 1.29 -0.41 1.90 0.40 -0.35 -0.80 117.98 118.25 1u8y s PHE 89 Ca -0.13 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 55.72 1u8y s PHE 89 Cb -0.07 -0.91 0.05 0.00 0.51 0.00 0.00 43.02 42.61 1u8y s PHE 89 CO -0.01 -0.15 0.28 -0.51 0.70 0.00 0.00 175.22 175.52 1u8y s LEU 90 N 0.23 5.11 -0.65 -0.37 1.43 -0.52 -1.84 118.68 122.07 1u8y s LEU 90 Ca -0.05 -1.22 -0.21 0.00 -1.03 0.00 0.00 54.13 51.62 1u8y s LEU 90 Cb -0.11 -2.06 0.09 0.00 0.03 0.00 0.00 46.19 44.14 1u8y s LEU 90 CO 0.02 -0.50 0.87 0.00 0.23 0.00 0.00 176.35 176.97 1u8y s VAL 92 N 3.43 5.40 0.10 0.00 1.01 -0.06 -0.61 120.40 129.68 1u8y s VAL 92 Ca 0.19 0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 1u8y s VAL 92 Cb -0.19 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1u8y s VAL 92 CO 0.07 0.56 0.04 0.72 0.00 0.00 0.00 175.10 176.50 1u8y s PHE 93 N -1.09 0.70 -0.19 5.22 -0.71 -0.39 -4.14 117.98 117.39 1u8y s PHE 93 Ca 0.19 -1.13 -0.10 0.00 -1.04 0.00 0.00 56.93 54.84 1u8y s PHE 93 Cb -0.13 -0.41 -0.05 0.00 -1.21 0.00 0.00 43.02 41.22 1u8y s PHE 93 CO 0.08 -0.49 0.14 0.45 -1.34 0.00 0.00 175.22 174.06 1u8y s SER 94 N -3.00 6.24 0.19 1.98 0.15 -1.26 -0.70 113.70 117.30 1u8y s SER 94 Ca 0.18 0.26 0.17 0.00 0.70 0.00 0.00 55.95 57.26 1u8y s SER 94 Cb 0.07 -2.09 0.81 0.00 -1.71 0.00 0.00 66.02 63.10 1u8y s SER 94 CO -0.03 0.20 1.52 2.30 1.20 0.00 0.00 173.24 178.43 1u8y n ILE 95 N 3.39 1.15 1.29 6.45 -5.35 -0.70 -1.54 119.36 124.05 1u8y n ILE 95 Ca -0.16 0.46 0.13 0.00 -0.27 0.00 0.00 62.75 62.91 1u8y n ILE 95 Cb 0.52 -1.40 0.40 0.00 -1.74 0.00 0.00 39.64 37.42 1u8y n ILE 95 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1u8y n THR 96 N -1.99 0.07 -3.56 7.28 -2.24 -1.26 0.48 114.28 113.05 1u8y n THR 96 Ca 0.01 -0.34 -0.29 0.00 -2.27 0.00 0.00 64.05 61.15 1u8y n THR 96 Cb 0.11 0.70 -0.15 0.00 -2.10 0.00 0.00 70.33 68.89 1u8y n THR 96 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1u8y s GLU 97 N -1.93 0.30 0.64 -0.78 2.12 -0.59 -4.49 118.70 113.97 1u8y s GLU 97 Ca 0.35 -0.70 0.42 0.00 0.36 0.00 0.00 54.97 55.40 1u8y s GLU 97 Cb 0.20 -1.29 2.17 0.00 0.26 0.00 0.00 34.13 35.47 1u8y s GLU 97 CO 0.31 -1.04 2.28 0.00 -0.54 0.00 0.00 175.26 176.28 1u8y h MET 98 N 8.20 0.00 -0.59 4.30 -0.00 -1.83 -1.17 114.93 123.84 1u8y h MET 98 Ca -0.16 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.47 1u8y h MET 98 Cb 1.01 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.58 1u8y h MET 98 CO 0.43 0.00 0.12 1.49 -0.00 0.00 0.00 176.91 178.94 1u8y h GLU 99 N 0.00 0.97 0.00 -0.10 4.57 -1.93 -0.40 114.58 117.69 1u8y h GLU 99 Ca -0.00 -0.25 -0.07 0.00 -1.18 0.00 0.00 59.36 57.86 1u8y h GLU 99 Cb 0.12 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1u8y h GLU 99 CO 0.00 0.90 -0.34 0.66 -1.18 0.00 0.00 179.01 179.06 1u8y h SER 100 N 0.87 0.00 -0.04 1.04 4.64 -1.54 -2.13 113.55 116.39 1u8y h SER 100 Ca 0.18 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.44 1u8y h SER 100 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1u8y h SER 100 CO 0.01 0.34 -0.21 0.15 -0.87 0.00 0.00 176.83 176.24 1u8y h PHE 101 N 0.00 0.30 -0.93 4.77 3.57 -1.28 -3.17 116.94 120.20 1u8y h PHE 101 Ca -0.00 -0.13 0.07 0.00 3.53 0.00 0.00 57.97 61.43 1u8y h PHE 101 Cb 0.78 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.41 1u8y h PHE 101 CO 0.00 0.84 0.60 0.00 -2.23 0.00 0.00 178.31 177.53 1u8y h ALA 102 N 0.39 1.50 0.00 2.41 0.00 -0.93 -1.69 119.26 120.94 1u8y h ALA 102 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1u8y h ALA 102 Cb 0.87 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1u8y h ALA 102 CO 0.04 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.65 1u8y h ALA 103 N 1.50 1.00 0.00 0.00 0.00 -1.36 -2.87 119.26 117.52 1u8y h ALA 103 Ca 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1u8y h ALA 103 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1u8y h ALA 103 CO -0.16 0.00 -0.06 1.79 0.00 0.00 0.00 179.25 180.82 1u8y h THR 104 N 0.00 0.33 -0.47 0.00 1.35 -1.28 -2.66 112.91 110.18 1u8y h THR 104 Ca 0.00 -0.36 -0.05 0.00 -0.55 0.00 0.00 66.41 65.46 1u8y h THR 104 Cb 0.20 1.26 -0.02 0.00 -1.73 0.00 0.00 68.15 67.86 1u8y h THR 104 CO 0.00 0.06 0.12 0.00 -0.25 0.00 0.00 175.52 175.45 1u8y h ALA 105 N 1.94 0.63 -0.27 6.62 0.00 -1.68 0.43 119.26 126.91 1u8y h ALA 105 Ca -0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1u8y h ALA 105 Cb 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1u8y h ALA 105 CO 0.01 0.31 -0.00 -0.44 0.00 0.00 0.00 179.25 179.13 1u8y h ASP 106 N 0.64 0.48 -0.52 0.00 3.32 -1.69 -1.45 116.42 117.19 1u8y h ASP 106 Ca 0.15 -0.31 0.03 0.00 0.02 0.00 0.00 57.03 56.92 1u8y h ASP 106 Cb 0.32 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 1u8y h ASP 106 CO 0.00 0.67 0.31 -0.26 -1.72 0.00 0.00 179.24 178.24 1u8y h PHE 107 N 0.27 0.57 -0.12 4.55 0.05 -1.39 0.16 116.94 121.03 1u8y h PHE 107 Ca 0.08 0.02 0.03 0.00 3.82 0.00 0.00 57.97 61.92 1u8y h PHE 107 Cb 0.43 -0.18 -0.03 0.00 2.00 0.00 0.00 35.95 38.16 1u8y h PHE 107 CO 0.04 0.32 -0.07 -0.09 -0.18 0.00 0.00 178.31 178.33 1u8y h ARG 108 N 0.61 -0.06 -0.61 1.51 9.65 -0.77 -0.61 114.38 124.10 1u8y h ARG 108 Ca 0.21 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.08 1u8y h ARG 108 Cb 0.03 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.59 1u8y h ARG 108 CO -0.10 -0.04 0.32 1.49 2.80 0.00 0.00 179.97 184.45 1u8y h GLU 109 N -0.06 0.86 -0.63 0.20 4.81 -0.75 -2.59 114.58 116.42 1u8y h GLU 109 Ca 0.07 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1u8y h GLU 109 Cb 0.17 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1u8y h GLU 109 CO -0.16 0.66 0.26 1.96 -0.73 0.00 0.00 179.01 181.00 1u8y h GLN 110 N 0.83 0.95 -0.07 1.92 4.20 -0.35 -2.49 115.11 120.10 1u8y h GLN 110 Ca 0.21 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1u8y h GLN 110 Cb 0.06 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1u8y h GLN 110 CO -0.03 0.80 0.04 0.82 -0.67 0.00 0.00 178.83 179.78 1u8y h ILE 111 N 0.89 1.09 -0.84 2.54 2.04 -0.95 -1.57 117.51 120.71 1u8y h ILE 111 Ca 0.21 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1u8y h ILE 111 Cb 0.20 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 1u8y h ILE 111 CO -0.02 0.07 0.54 -0.07 0.00 0.00 0.00 178.15 178.67 1u8y h LEU 112 N 0.02 0.88 0.68 1.44 3.38 -1.40 0.14 115.31 120.46 1u8y h LEU 112 Ca 0.03 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1u8y h LEU 112 Cb 0.09 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.65 1u8y h LEU 112 CO -0.00 0.60 -0.33 0.03 0.09 0.00 0.00 178.44 178.83 1u8y h ARG 113 N 1.03 -0.89 -0.88 1.13 3.08 -1.30 0.37 114.38 116.93 1u8y h ARG 113 Ca 0.34 0.06 0.11 0.00 0.07 0.00 0.00 59.98 60.56 1u8y h ARG 113 Cb 0.04 0.20 -0.08 0.00 0.08 0.00 0.00 29.97 30.21 1u8y h ARG 113 CO -0.13 -0.59 0.51 0.28 -1.07 0.00 0.00 179.97 178.98 1u8y h VAL 114 N -1.18 0.89 0.00 2.04 2.07 -1.23 0.55 116.25 119.40 1u8y h VAL 114 Ca -0.09 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1u8y h VAL 114 Cb 0.71 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1u8y h VAL 114 CO 0.15 0.15 -0.09 1.17 0.02 0.00 0.00 177.57 178.98 1u8y n LYS 115 N -4.72 0.18 -0.04 1.57 3.00 0.49 -4.89 118.16 113.74 1u8y n LYS 115 Ca 0.15 0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.60 1u8y n LYS 115 Cb 0.32 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.65 1u8y n LYS 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1u8y n GLU 116 N -2.01 0.00 -3.70 1.64 1.02 0.13 -4.91 120.64 112.82 1u8y n GLU 116 Ca 0.06 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.83 1u8y n GLU 116 Cb 0.40 -3.83 -0.06 0.00 -0.02 0.00 0.00 31.44 27.93 1u8y n GLU 116 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1u8y s ASP 117 N -2.16 6.48 0.15 1.62 3.68 -1.17 -4.95 116.67 120.31 1u8y s ASP 117 Ca 0.00 0.57 0.23 0.00 2.13 0.00 0.00 52.55 55.48 1u8y s ASP 117 Cb 0.00 -2.14 -0.04 0.00 -1.45 0.00 0.00 42.92 39.29 1u8y s ASP 117 CO 0.00 0.30 0.96 -0.62 0.13 0.00 0.00 175.17 175.93 1u8y n GLU 118 N 2.45 0.57 -1.67 4.34 -0.58 -1.26 -4.22 120.64 120.27 1u8y n GLU 118 Ca -0.16 0.05 -0.27 0.00 -0.42 0.00 0.00 57.16 56.37 1u8y n GLU 118 Cb 0.53 -1.75 0.06 0.00 -0.57 0.00 0.00 31.44 29.71 1u8y n GLU 118 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1u8y n ASN 119 N -2.52 5.75 -4.76 1.62 2.85 -1.26 -5.04 115.26 111.90 1u8y n ASN 119 Ca -0.00 -3.77 -0.41 0.00 -0.11 0.00 0.00 54.58 50.29 1u8y n ASN 119 Cb 0.54 -0.60 -0.03 0.00 1.24 0.00 0.00 39.78 40.93 1u8y n ASN 119 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1u8y s VAL 120 N -4.57 3.05 -0.21 3.44 1.01 -1.26 -4.90 120.40 116.97 1u8y s VAL 120 Ca 0.56 0.98 -0.37 0.00 0.00 0.00 0.00 61.98 63.15 1u8y s VAL 120 Cb 0.45 -3.63 -0.13 0.00 0.00 0.00 0.00 36.38 33.07 1u8y s VAL 120 CO 0.02 0.20 1.87 -2.65 0.00 0.00 0.00 175.10 174.55 1u8y n PRO 121 N 1.54 1.60 -3.84 2.72 -0.02 -1.26 -4.91 135.00 130.83 1u8y n PRO 121 Ca 0.02 0.57 -0.12 0.00 -2.02 0.00 0.00 63.50 61.95 1u8y n PRO 121 Cb 0.43 -2.40 -0.12 0.00 -0.02 0.00 0.00 33.50 31.39 1u8y n PRO 121 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1u8y s PHE 122 N 4.36 -0.09 -0.02 6.00 5.36 -1.26 -1.21 117.98 131.12 1u8y s PHE 122 Ca 0.98 0.22 -0.00 0.00 -0.96 0.00 0.00 56.93 57.17 1u8y s PHE 122 Cb -0.87 0.02 0.03 0.00 -0.34 0.00 0.00 43.02 41.86 1u8y s PHE 122 CO 0.57 -0.10 0.04 -1.17 -1.46 0.00 0.00 175.22 173.10 1u8y s LEU 123 N -0.21 1.04 -0.25 6.12 0.20 -0.76 -4.52 118.68 120.29 1u8y s LEU 123 Ca -0.03 0.07 -0.20 0.00 0.69 0.00 0.00 54.13 54.66 1u8y s LEU 123 Cb -0.02 -0.03 -0.02 0.00 -0.43 0.00 0.00 46.19 45.69 1u8y s LEU 123 CO 0.00 -0.13 0.61 -0.22 -0.29 0.00 0.00 176.35 176.33 1u8y s LEU 124 N 1.08 4.06 -0.18 -0.68 2.96 -0.89 -0.83 118.68 124.20 1u8y s LEU 124 Ca -0.09 0.68 -0.01 0.00 -0.22 0.00 0.00 54.13 54.50 1u8y s LEU 124 Cb -0.13 -2.83 0.01 0.00 0.50 0.00 0.00 46.19 43.74 1u8y s LEU 124 CO -0.03 -0.36 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.81 1u8y s VAL 125 N 2.48 2.59 -0.54 1.68 1.01 0.22 -1.84 120.40 126.00 1u8y s VAL 125 Ca 0.25 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.30 1u8y s VAL 125 Cb -0.16 -2.12 0.12 0.00 0.00 0.00 0.00 36.38 34.23 1u8y s VAL 125 CO 0.09 0.50 0.52 -0.83 0.00 0.00 0.00 175.10 175.37 1u8y s GLY 126 N 1.22 2.05 0.60 4.51 0.00 -0.33 -1.26 107.32 114.11 1u8y s GLY 126 Ca 0.02 -2.47 -0.03 0.00 0.00 0.00 0.00 44.72 42.24 1u8y s GLY 126 CO -0.07 1.23 0.87 0.21 0.00 0.00 0.00 173.10 175.35 1u8y s ASN 127 N 3.53 5.27 -0.60 1.64 2.47 0.12 -0.60 114.94 126.77 1u8y s ASN 127 Ca 0.04 0.36 -0.03 0.00 0.42 0.00 0.00 52.86 53.64 1u8y s ASN 127 Cb -0.29 -1.23 0.00 0.00 -1.45 0.00 0.00 41.25 38.28 1u8y s ASN 127 CO 0.04 -1.22 0.43 0.29 -3.72 0.00 0.00 177.10 172.91 1u8y n LYS 128 N -2.56 -2.97 0.17 0.43 5.02 -0.11 -1.72 118.16 116.42 1u8y n LYS 128 Ca 0.06 0.36 0.13 0.00 -2.02 0.00 0.00 58.31 56.84 1u8y n LYS 128 Cb 0.59 -4.00 0.61 0.00 -0.02 0.00 0.00 35.03 32.22 1u8y n LYS 128 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1u8y h SER 129 N -0.97 0.00 1.06 4.39 4.64 -1.27 -1.38 113.55 120.01 1u8y h SER 129 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1u8y h SER 129 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1u8y h SER 129 CO 0.24 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.30 1u8y n ASP 130 N -2.38 0.48 -2.48 4.97 5.75 -1.26 -3.24 116.55 118.39 1u8y n ASP 130 Ca -0.00 0.57 -0.35 0.00 -0.01 0.00 0.00 54.79 55.00 1u8y n ASP 130 Cb 0.13 -0.69 0.06 0.00 -1.03 0.00 0.00 41.12 39.58 1u8y n ASP 130 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1u8y n LEU 131 N -1.98 7.55 -0.29 -2.12 4.77 -0.52 -4.75 117.00 119.66 1u8y n LEU 131 Ca 0.05 -4.38 0.09 0.00 -0.03 0.00 0.00 56.01 51.73 1u8y n LEU 131 Cb 0.33 -1.02 0.24 0.00 -2.33 0.00 0.00 43.42 40.64 1u8y n LEU 131 CO 0.25 1.55 1.06 -0.08 -1.33 0.00 0.00 177.39 178.83 1u8y h GLU 132 N 2.30 0.48 0.00 3.23 4.57 -1.76 -0.79 114.58 122.61 1u8y h GLU 132 Ca 0.57 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.72 1u8y h GLU 132 Cb 0.58 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1u8y h GLU 132 CO 1.48 0.32 0.00 -0.40 -1.18 0.00 0.00 179.01 179.22 1u8y n ASP 133 N -4.97 0.00 -0.29 1.04 5.75 -1.26 -1.39 116.55 115.43 1u8y n ASP 133 Ca 0.18 0.37 0.03 0.00 -0.01 0.00 0.00 54.79 55.35 1u8y n ASP 133 Cb 0.50 -0.41 0.07 0.00 -1.03 0.00 0.00 41.12 40.25 1u8y n ASP 133 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1u8y n LYS 134 N -1.41 2.70 -1.70 0.11 5.02 -0.31 -5.05 118.16 117.53 1u8y n LYS 134 Ca 0.02 -1.68 -0.43 0.00 -2.02 0.00 0.00 58.31 54.20 1u8y n LYS 134 Cb 0.06 -1.12 -0.02 0.00 -0.02 0.00 0.00 35.03 33.93 1u8y n LYS 134 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1u8y n ARG 135 N -0.01 2.24 0.00 1.97 0.63 -0.49 -4.44 116.66 116.57 1u8y n ARG 135 Ca 0.05 0.79 0.00 0.00 -0.92 0.00 0.00 57.85 57.78 1u8y n ARG 135 Cb 0.32 -2.47 0.00 0.00 0.45 0.00 0.00 32.46 30.76 1u8y n ARG 135 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1u8y n GLN 136 N 1.63 6.61 -3.97 -0.14 6.02 0.18 -4.93 117.38 122.79 1u8y n GLN 136 Ca 0.09 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.78 1u8y n GLN 136 Cb 0.34 -0.48 -0.16 0.00 1.02 0.00 0.00 30.24 30.96 1u8y n GLN 136 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1u8y s VAL 137 N -0.96 1.55 0.69 5.09 1.01 -0.98 -4.67 120.40 122.14 1u8y s VAL 137 Ca 0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 60.83 1u8y s VAL 137 Cb 0.00 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.71 1u8y s VAL 137 CO 0.00 0.10 1.10 -0.94 0.00 0.00 0.00 175.10 175.36 1u8y s SER 138 N 1.42 4.97 0.19 3.32 1.04 -1.26 -4.90 113.70 118.49 1u8y s SER 138 Ca -0.02 1.92 -0.12 0.00 0.48 0.00 0.00 55.95 58.21 1u8y s SER 138 Cb -0.17 -2.54 0.15 0.00 0.10 0.00 0.00 66.02 63.56 1u8y s SER 138 CO -0.08 -1.72 1.82 0.58 0.98 0.00 0.00 173.24 174.83 1u8y h VAL 139 N -0.34 1.05 -0.79 5.02 2.07 -2.00 -2.45 116.25 118.82 1u8y h VAL 139 Ca -0.46 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1u8y h VAL 139 Cb 1.24 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1u8y h VAL 139 CO 0.54 0.13 0.49 1.05 0.02 0.00 0.00 177.57 179.79 1u8y h GLU 140 N 0.70 1.05 -0.15 1.57 9.09 -1.98 0.47 114.58 125.33 1u8y h GLU 140 Ca 0.24 -0.08 -0.02 0.00 0.05 0.00 0.00 59.36 59.56 1u8y h GLU 140 Cb 0.04 -0.23 -0.01 0.00 -1.65 0.00 0.00 28.75 26.91 1u8y h GLU 140 CO -0.11 0.73 0.03 1.49 0.05 0.00 0.00 179.01 181.20 1u8y h GLU 141 N 1.08 0.25 -0.57 1.06 4.57 -1.83 -0.48 114.58 118.66 1u8y h GLU 141 Ca 0.28 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.36 1u8y h GLU 141 Cb -0.07 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 1u8y h GLU 141 CO -0.06 0.41 0.21 0.00 -1.18 0.00 0.00 179.01 178.39 1u8y h ALA 142 N 0.83 0.74 -0.81 2.92 0.00 -1.14 -2.74 119.26 119.06 1u8y h ALA 142 Ca 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1u8y h ALA 142 Cb 0.27 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1u8y h ALA 142 CO 0.00 0.38 0.46 0.87 0.00 0.00 0.00 179.25 180.96 1u8y h LYS 143 N 0.79 1.13 -0.49 0.00 1.57 -0.82 -1.22 116.57 117.53 1u8y h LYS 143 Ca 0.19 -0.12 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 1u8y h LYS 143 Cb 0.24 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 1u8y h LYS 143 CO -0.01 0.82 0.21 -0.91 -0.57 0.00 0.00 179.45 178.99 1u8y h ASN 144 N 1.13 0.27 -0.59 0.86 2.35 -0.82 0.83 115.58 119.61 1u8y h ASN 144 Ca 0.29 0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 56.01 1u8y h ASN 144 Cb 0.01 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1u8y h ASN 144 CO -0.05 0.19 0.11 -0.09 -1.65 0.00 0.00 177.43 175.94 1u8y h ARG 145 N 0.42 0.97 -0.68 0.81 2.43 -1.18 -1.11 114.38 116.05 1u8y h ARG 145 Ca 0.22 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1u8y h ARG 145 Cb 0.18 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 1u8y h ARG 145 CO -0.19 0.91 0.37 0.00 -1.51 0.00 0.00 179.97 179.55 1u8y h ALA 146 N 1.02 0.87 -0.55 2.80 0.00 -0.57 -1.15 119.26 121.67 1u8y h ALA 146 Ca 0.18 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1u8y h ALA 146 Cb 0.41 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1u8y h ALA 146 CO 0.01 0.39 0.03 -0.44 0.00 0.00 0.00 179.25 179.23 1u8y h ASP 147 N 0.93 0.89 -0.58 0.00 3.32 -0.64 0.16 116.42 120.48 1u8y h ASP 147 Ca 0.24 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1u8y h ASP 147 Cb 0.05 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1u8y h ASP 147 CO -0.04 0.93 0.35 -0.61 -1.72 0.00 0.00 179.24 178.16 1u8y h GLN 148 N 0.86 0.81 -0.01 3.56 4.15 -0.53 -1.61 115.11 122.33 1u8y h GLN 148 Ca 0.17 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1u8y h GLN 148 Cb 0.47 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.99 1u8y h GLN 148 CO 0.02 0.57 -0.19 0.91 -1.93 0.00 0.00 178.83 178.22 1u8y n TRP 149 N -4.41 0.00 -3.36 3.99 8.01 -0.50 -4.96 117.44 116.22 1u8y n TRP 149 Ca 0.06 0.00 -0.19 0.00 -1.31 0.00 0.00 57.50 56.06 1u8y n TRP 149 Cb 0.08 -0.07 0.07 0.00 -2.01 0.00 0.00 31.31 29.37 1u8y n TRP 149 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1u8y n ASN 150 N -0.25 -5.03 -4.35 -0.99 3.02 -0.13 -5.02 115.26 102.51 1u8y n ASN 150 Ca 0.14 -0.45 -0.18 0.00 -0.03 0.00 0.00 54.58 54.06 1u8y n ASN 150 Cb 0.37 -4.19 -0.10 0.00 -0.61 0.00 0.00 39.78 35.25 1u8y n ASN 150 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1u8y s VAL 151 N -3.26 0.75 0.27 2.41 -7.23 -0.21 -5.03 120.40 108.09 1u8y s VAL 151 Ca 0.40 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.54 1u8y s VAL 151 Cb -0.18 -2.68 -0.05 0.00 0.56 0.00 0.00 36.38 34.03 1u8y s VAL 151 CO 0.59 0.00 0.51 0.20 -0.31 0.00 0.00 175.10 176.09 1u8y s ASN 152 N -3.37 6.41 -0.12 4.85 0.01 -1.26 -4.16 114.94 117.30 1u8y s ASN 152 Ca 0.37 0.61 0.02 0.00 -0.71 0.00 0.00 52.86 53.15 1u8y s ASN 152 Cb 0.08 -2.10 -0.00 0.00 0.41 0.00 0.00 41.25 39.64 1u8y s ASN 152 CO 0.14 -0.16 -0.20 -0.47 -1.51 0.00 0.00 177.10 174.89 1u8y s TYR 153 N -2.05 2.66 -0.03 2.20 5.04 -1.26 -2.09 117.35 121.83 1u8y s TYR 153 Ca 0.42 -1.05 0.02 0.00 -2.44 0.00 0.00 57.07 54.02 1u8y s TYR 153 Cb -0.11 -1.78 0.00 0.00 0.35 0.00 0.00 41.96 40.43 1u8y s TYR 153 CO 0.30 -0.44 -0.08 0.08 -1.34 0.00 0.00 175.55 174.07 1u8y s VAL 154 N 0.52 0.73 -0.16 3.14 1.01 -0.77 -5.03 120.40 119.84 1u8y s VAL 154 Ca -0.13 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 1u8y s VAL 154 Cb -0.17 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 1u8y s VAL 154 CO 0.05 0.23 0.17 -1.61 0.00 0.00 0.00 175.10 173.94 1u8y s GLU 155 N 0.22 3.95 0.29 2.72 2.02 -1.26 -1.19 118.70 125.46 1u8y s GLU 155 Ca -0.03 -0.12 0.04 0.00 0.02 0.00 0.00 54.97 54.88 1u8y s GLU 155 Cb -0.08 -3.34 -0.06 0.00 0.10 0.00 0.00 34.13 30.75 1u8y s GLU 155 CO 0.00 0.46 0.02 0.95 0.02 0.00 0.00 175.26 176.71 1u8y s THR 156 N -0.12 1.24 -0.20 3.63 -4.23 0.23 -4.60 115.64 111.60 1u8y s THR 156 Ca 0.12 -2.04 -0.04 0.00 -1.18 0.00 0.00 61.69 58.55 1u8y s THR 156 Cb -0.12 -2.59 0.10 0.00 1.34 0.00 0.00 72.50 71.23 1u8y s THR 156 CO 0.01 -0.16 0.28 -0.55 -0.54 0.00 0.00 174.62 173.66 1u8y s SER 157 N -3.43 0.82 0.45 3.99 0.15 -0.86 -0.94 113.70 113.89 1u8y s SER 157 Ca 0.33 0.10 0.18 0.00 0.70 0.00 0.00 55.95 57.26 1u8y s SER 157 Cb 0.07 0.67 1.05 0.00 -1.71 0.00 0.00 66.02 66.09 1u8y s SER 157 CO 0.13 -0.30 1.96 0.00 1.20 0.00 0.00 173.24 176.23 1u8y h ALA 158 N 8.27 1.47 0.05 5.45 0.00 -1.90 0.95 119.26 133.55 1u8y h ALA 158 Ca -0.17 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1u8y h ALA 158 Cb 1.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1u8y h ALA 158 CO 0.24 0.27 -0.02 -0.22 0.00 0.00 0.00 179.25 179.52 1u8y h LYS 159 N 0.00 -0.06 -0.00 0.00 3.64 -1.94 -3.30 116.57 114.90 1u8y h LYS 159 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1u8y h LYS 159 Cb 0.43 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1u8y h LYS 159 CO 0.03 0.48 -0.27 0.25 -2.27 0.00 0.00 179.45 177.66 1u8y n THR 160 N -4.85 0.00 0.00 1.00 -2.24 -1.20 -4.93 114.28 102.07 1u8y n THR 160 Ca -0.09 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1u8y n THR 160 Cb 0.29 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1u8y n THR 160 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1u8y n ARG 161 N -0.98 0.00 -1.62 -0.78 1.74 0.32 -4.96 116.66 110.37 1u8y n ARG 161 Ca 0.11 0.00 -0.60 0.00 -0.77 0.00 0.00 57.85 56.59 1u8y n ARG 161 Cb 0.33 -1.43 -0.09 0.00 -1.02 0.00 0.00 32.46 30.26 1u8y n ARG 161 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u8y n ALA 162 N -0.02 -0.24 -1.13 7.54 0.00 -1.14 -1.85 120.51 123.67 1u8y n ALA 162 Ca 0.00 0.33 -0.07 0.00 0.00 0.00 0.00 53.44 53.70 1u8y n ALA 162 Cb 0.00 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.25 1u8y n ALA 162 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1u8y n ASN 163 N 5.96 -5.27 0.00 0.00 3.02 -1.26 -2.02 115.26 115.70 1u8y n ASN 163 Ca 0.34 0.16 -0.13 0.00 -0.03 0.00 0.00 54.58 54.92 1u8y n ASN 163 Cb 0.07 -3.64 -0.09 0.00 -0.61 0.00 0.00 39.78 35.51 1u8y n ASN 163 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1u8y h VAL 164 N 0.00 1.27 -0.71 2.41 2.07 -1.67 -2.27 116.25 117.36 1u8y h VAL 164 Ca -0.14 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 1u8y h VAL 164 Cb 1.02 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 32.60 1u8y h VAL 164 CO 0.20 0.22 0.38 0.44 0.02 0.00 0.00 177.57 178.82 1u8y h ASP 165 N -0.37 0.87 -0.31 0.57 3.32 -1.90 -2.98 116.42 115.62 1u8y h ASP 165 Ca -0.00 -0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.03 1u8y h ASP 165 Cb 0.37 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 1u8y h ASP 165 CO 0.00 0.71 0.04 0.50 -1.72 0.00 0.00 179.24 178.77 1u8y h LYS 166 N 0.98 0.14 -0.61 3.56 3.64 -1.89 -0.91 116.57 121.49 1u8y h LYS 166 Ca 0.25 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.57 1u8y h LYS 166 Cb 0.04 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1u8y h LYS 166 CO -0.04 0.09 0.16 -0.39 -2.27 0.00 0.00 179.45 177.00 1u8y h VAL 167 N 0.14 1.24 -0.22 2.00 -1.51 -1.26 0.19 116.25 116.83 1u8y h VAL 167 Ca 0.15 -0.86 -0.14 0.00 -1.23 0.00 0.00 66.70 64.62 1u8y h VAL 167 Cb 0.18 0.61 0.00 0.00 -2.13 0.00 0.00 31.29 29.95 1u8y h VAL 167 CO -0.22 0.33 -0.40 -0.26 -1.23 0.00 0.00 177.57 175.79 1u8y h PHE 168 N 0.90 0.83 -0.33 5.19 0.04 -1.45 -1.69 116.94 120.43 1u8y h PHE 168 Ca 0.20 -0.29 -0.10 0.00 2.80 0.00 0.00 57.97 60.57 1u8y h PHE 168 Cb 0.31 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1u8y h PHE 168 CO 0.02 1.06 -0.18 0.74 -0.60 0.00 0.00 178.31 179.34 1u8y h PHE 169 N 0.37 0.82 -0.84 -0.55 -1.00 -1.04 -1.88 116.94 112.82 1u8y h PHE 169 Ca 0.01 -0.21 -0.01 0.00 2.81 0.00 0.00 57.97 60.58 1u8y h PHE 169 Cb 0.99 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 40.32 1u8y h PHE 169 CO 0.08 0.93 0.49 -0.44 -1.61 0.00 0.00 178.31 177.77 1u8y h ASP 170 N 0.48 1.01 -0.45 2.17 5.19 -0.65 -0.97 116.42 123.21 1u8y h ASP 170 Ca 0.07 -0.07 -0.12 0.00 -0.62 0.00 0.00 57.03 56.30 1u8y h ASP 170 Cb 0.72 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 1u8y h ASP 170 CO 0.05 0.79 -0.16 0.25 -3.12 0.00 0.00 179.24 177.05 1u8y h LEU 171 N 1.16 0.95 -1.19 1.55 5.85 -1.18 -2.12 115.31 120.33 1u8y h LEU 171 Ca 0.30 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 1u8y h LEU 171 Cb -0.03 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 1u8y h LEU 171 CO -0.05 1.09 0.01 0.24 -0.34 0.00 0.00 178.44 179.39 1u8y h MET 172 N 0.83 0.56 -0.34 1.25 2.86 -0.70 -0.87 114.93 118.52 1u8y h MET 172 Ca 0.12 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1u8y h MET 172 Cb 0.71 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 1u8y h MET 172 CO 0.05 0.58 -0.13 0.00 1.06 0.00 0.00 176.91 178.47 1u8y h ARG 173 N 0.54 0.60 -0.26 1.72 3.08 -0.82 0.21 114.38 119.45 1u8y h ARG 173 Ca 0.12 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1u8y h ARG 173 Cb 0.33 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1u8y h ARG 173 CO 0.01 0.72 0.07 0.93 -1.07 0.00 0.00 179.97 180.62 1u8y h GLU 174 N 0.55 0.41 -0.60 0.04 4.39 -0.65 -2.36 114.58 116.37 1u8y h GLU 174 Ca 0.10 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1u8y h GLU 174 Cb 0.55 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1u8y h GLU 174 CO 0.03 0.50 0.23 0.82 -1.16 0.00 0.00 179.01 179.44 1u8y h ILE 175 N 0.25 1.23 -0.90 3.13 2.04 -0.78 -2.84 117.51 119.64 1u8y h ILE 175 Ca 0.08 -0.73 0.08 0.00 1.00 0.00 0.00 64.86 65.29 1u8y h ILE 175 Cb 0.27 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 1u8y h ILE 175 CO 0.00 0.28 0.59 -0.09 0.00 0.00 0.00 178.15 178.93 1u8y h ARG 176 N 0.83 0.95 -1.61 2.37 2.43 -0.42 -2.31 114.38 116.62 1u8y h ARG 176 Ca 0.20 -0.06 -0.60 0.00 -0.81 0.00 0.00 59.98 58.71 1u8y h ARG 176 Cb 0.22 -0.21 -0.23 0.00 -0.42 0.00 0.00 29.97 29.32 1u8y h ARG 176 CO -0.01 0.63 0.75 0.00 -1.51 0.00 0.00 179.97 179.82 1u8y n ALA 177 N -2.40 6.20 -0.55 2.80 0.00 -0.90 -5.09 120.51 120.57 1u8y n ALA 177 Ca 0.14 -3.25 0.00 0.00 0.00 0.00 0.00 53.44 50.33 1u8y n ALA 177 Cb 0.25 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1u8y n ALA 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04