#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lhw s PRO 14 N 0.00 4.37 0.06 0.52 0.04 -1.26 -4.99 135.00 133.74 1lhw s PRO 14 Ca 0.00 1.87 0.04 0.00 0.04 0.00 0.00 61.00 62.96 1lhw s PRO 14 Cb 0.00 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 1lhw s PRO 14 CO 0.00 -0.37 -0.04 0.00 0.04 0.00 0.00 177.00 176.63 1lhw s ALA 15 N 1.38 3.15 0.08 8.56 0.00 -1.26 -4.46 121.76 129.21 1lhw s ALA 15 Ca 0.61 -1.10 0.09 0.00 0.00 0.00 0.00 51.96 51.56 1lhw s ALA 15 Cb -0.31 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 1lhw s ALA 15 CO 0.28 0.66 -0.24 0.54 0.00 0.00 0.00 175.76 177.00 1lhw s VAL 16 N -1.18 2.00 0.13 0.00 0.11 0.72 -1.26 120.40 120.93 1lhw s VAL 16 Ca 0.22 -1.49 -0.30 0.00 -2.93 0.00 0.00 61.98 57.47 1lhw s VAL 16 Cb -0.11 -1.75 -0.07 0.00 -1.53 0.00 0.00 36.38 32.91 1lhw s VAL 16 CO 0.13 0.17 1.23 -1.00 -3.33 0.00 0.00 175.10 172.31 1lhw s HIS 17 N -0.95 3.39 -1.18 1.54 3.76 0.65 -0.03 115.29 122.48 1lhw s HIS 17 Ca 0.11 1.30 0.29 0.00 -0.15 0.00 0.00 55.06 56.60 1lhw s HIS 17 Cb -0.10 -3.48 1.21 0.00 1.11 0.00 0.00 32.58 31.33 1lhw s HIS 17 CO 0.04 -1.45 1.89 1.28 -0.85 0.00 0.00 174.74 175.64 1lhw n LEU 18 N 3.21 0.12 -4.15 0.89 4.77 0.27 -4.74 117.00 117.37 1lhw n LEU 18 Ca 0.07 0.33 -0.16 0.00 -0.03 0.00 0.00 56.01 56.22 1lhw n LEU 18 Cb 0.45 -0.38 -0.11 0.00 -2.33 0.00 0.00 43.42 41.04 1lhw n LEU 18 CO 0.56 0.03 -0.43 -0.94 -1.33 0.00 0.00 177.39 175.28 1lhw s SER 19 N -2.84 1.44 0.00 -1.43 1.04 -1.24 -4.41 113.70 106.26 1lhw s SER 19 Ca 0.19 -0.68 0.02 0.00 0.48 0.00 0.00 55.95 55.96 1lhw s SER 19 Cb 0.19 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 1lhw s SER 19 CO 0.53 -0.17 -0.07 0.20 0.98 0.00 0.00 173.24 174.71 1lhw s ASN 20 N -1.99 0.76 0.63 7.02 0.01 -1.26 -4.99 114.94 115.13 1lhw s ASN 20 Ca -0.01 -0.17 0.00 0.00 -0.71 0.00 0.00 52.86 51.97 1lhw s ASN 20 Cb -0.07 -0.07 0.00 0.00 0.41 0.00 0.00 41.25 41.52 1lhw s ASN 20 CO 0.01 0.04 0.00 0.61 -1.51 0.00 0.00 177.10 176.25 1lhw n GLY 21 N 2.73 2.67 0.00 0.66 0.00 -1.26 -0.74 105.19 109.24 1lhw n GLY 21 Ca -0.14 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.82 1lhw n GLY 21 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1lhw n PRO 22 N 14.00 0.11 -3.61 1.61 -0.02 -1.26 -4.87 135.00 140.95 1lhw n PRO 22 Ca 0.00 0.21 -0.22 0.00 -2.02 0.00 0.00 63.50 61.47 1lhw n PRO 22 Cb 0.00 -1.50 0.07 0.00 -0.02 0.00 0.00 33.50 32.05 1lhw n PRO 22 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lhw n GLY 23 N -0.66 -0.44 0.00 -1.23 0.00 0.08 -4.90 105.19 98.04 1lhw n GLY 23 Ca 0.03 0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.33 1lhw n GLY 23 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1lhw n GLN 24 N -4.58 0.66 -4.06 1.61 6.02 -1.26 -3.62 117.38 112.16 1lhw n GLN 24 Ca -0.13 -0.04 -0.09 0.00 -0.01 0.00 0.00 57.00 56.73 1lhw n GLN 24 Cb 0.61 -1.42 -0.09 0.00 1.02 0.00 0.00 30.24 30.36 1lhw n GLN 24 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1lhw s GLU 25 N -2.94 0.93 0.67 -1.09 -1.05 -1.26 -4.84 118.70 109.12 1lhw s GLU 25 Ca 0.04 -1.28 -0.16 0.00 -0.15 0.00 0.00 54.97 53.42 1lhw s GLU 25 Cb 0.14 0.28 0.01 0.00 -0.44 0.00 0.00 34.13 34.12 1lhw s GLU 25 CO 0.79 -0.28 1.19 -2.14 0.95 0.00 0.00 175.26 175.77 1lhw s PRO 26 N -3.98 2.55 0.29 -4.83 0.02 -1.26 -4.57 135.00 123.22 1lhw s PRO 26 Ca 0.17 1.72 0.23 0.00 0.02 0.00 0.00 61.00 63.14 1lhw s PRO 26 Cb 0.06 -1.89 0.24 0.00 0.02 0.00 0.00 34.50 32.93 1lhw s PRO 26 CO -0.02 -1.51 1.37 -0.84 -0.33 0.00 0.00 177.00 175.67 1lhw h ILE 27 N 0.18 0.00 -2.06 2.83 3.07 -1.21 -3.43 117.51 116.89 1lhw h ILE 27 Ca -0.48 -0.91 -0.03 0.00 1.55 0.00 0.00 64.86 64.99 1lhw h ILE 27 Cb 1.29 1.66 -0.19 0.00 -0.27 0.00 0.00 36.82 39.31 1lhw h ILE 27 CO 0.52 0.00 0.26 0.00 -1.05 0.00 0.00 178.15 177.88 1lhw s ALA 28 N -3.26 -1.78 -0.05 0.16 0.00 -1.25 -4.18 121.76 111.40 1lhw s ALA 28 Ca 0.04 1.25 0.02 0.00 0.00 0.00 0.00 51.96 53.27 1lhw s ALA 28 Cb 0.08 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1lhw s ALA 28 CO 0.72 -0.42 -0.08 0.08 0.00 0.00 0.00 175.76 176.06 1lhw s VAL 29 N -1.55 0.78 -0.02 0.00 1.01 -0.43 -1.16 120.40 119.02 1lhw s VAL 29 Ca -0.08 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 61.71 1lhw s VAL 29 Cb -0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 1lhw s VAL 29 CO 0.05 0.28 -0.22 -0.04 0.00 0.00 0.00 175.10 175.17 1lhw s MET 30 N 0.82 2.19 -0.04 2.72 -1.94 0.14 -0.27 119.30 122.92 1lhw s MET 30 Ca -0.12 -0.88 0.06 0.00 -1.71 0.00 0.00 55.69 53.03 1lhw s MET 30 Cb -0.15 -2.15 -0.02 0.00 2.01 0.00 0.00 34.83 34.53 1lhw s MET 30 CO 0.02 0.57 -0.22 0.99 -0.01 0.00 0.00 175.02 176.36 1lhw s THR 31 N -0.69 2.34 0.10 2.05 2.01 0.24 -0.49 115.64 121.19 1lhw s THR 31 Ca 0.11 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.19 1lhw s THR 31 Cb -0.10 -1.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 1lhw s THR 31 CO 0.00 0.58 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.99 1lhw s PHE 32 N -0.45 1.48 -0.54 4.92 0.40 0.15 0.46 117.98 124.39 1lhw s PHE 32 Ca 0.05 -0.47 -0.21 0.00 -0.60 0.00 0.00 56.93 55.70 1lhw s PHE 32 Cb -0.12 -0.80 0.06 0.00 0.51 0.00 0.00 43.02 42.67 1lhw s PHE 32 CO 0.01 0.14 0.77 0.34 0.70 0.00 0.00 175.22 177.18 1lhw s ASP 33 N -2.03 6.26 0.29 1.36 -1.08 0.42 -1.57 116.67 120.31 1lhw s ASP 33 Ca 0.04 -0.77 0.03 0.00 -0.52 0.00 0.00 52.55 51.34 1lhw s ASP 33 Cb -0.08 -2.35 0.65 0.00 -1.46 0.00 0.00 42.92 39.67 1lhw s ASP 33 CO 0.03 -1.07 1.78 -0.07 0.52 0.00 0.00 175.17 176.37 1lhw h LEU 34 N 10.29 0.74 -1.08 -1.34 4.07 0.96 0.53 115.31 129.47 1lhw h LEU 34 Ca -0.27 0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.78 1lhw h LEU 34 Cb 1.09 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.78 1lhw h LEU 34 CO 1.03 0.30 0.00 0.71 -1.08 0.00 0.00 178.44 179.40 1lhw h THR 35 N 0.76 0.00 -0.02 0.22 1.35 -1.92 -2.44 112.91 110.86 1lhw h THR 35 Ca 0.53 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 1lhw h THR 35 Cb 0.76 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1lhw h THR 35 CO -0.36 0.00 -0.13 0.29 -0.25 0.00 0.00 175.52 175.08 1lhw n LYS 36 N -2.41 1.92 -2.38 4.72 5.02 0.16 -4.96 118.16 120.23 1lhw n LYS 36 Ca 0.01 -1.61 -0.42 0.00 -2.02 0.00 0.00 58.31 54.27 1lhw n LYS 36 Cb 0.19 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 1lhw n LYS 36 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1lhw s ILE 37 N -2.03 3.93 0.00 -0.18 1.01 -0.92 -4.48 121.20 118.54 1lhw s ILE 37 Ca 0.24 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.26 1lhw s ILE 37 Cb 0.18 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1lhw s ILE 37 CO 0.36 0.09 0.00 0.35 0.00 0.00 0.00 174.94 175.74 1lhw n THR 38 N 4.03 0.00 -4.05 2.92 -2.24 -1.26 -4.97 114.28 108.71 1lhw n THR 38 Ca 0.10 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.54 1lhw n THR 38 Cb 0.46 -0.01 -0.15 0.00 -2.10 0.00 0.00 70.33 68.52 1lhw n THR 38 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1lhw s LYS 39 N -1.82 3.08 -0.71 -0.78 2.20 -1.26 -5.03 119.74 115.42 1lhw s LYS 39 Ca 0.00 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 54.83 1lhw s LYS 39 Cb 0.00 -2.72 0.37 0.00 -1.51 0.00 0.00 37.83 33.97 1lhw s LYS 39 CO 0.00 -0.22 1.70 0.25 -0.36 0.00 0.00 175.35 176.72 1lhw n THR 40 N 4.67 3.21 -3.98 3.43 -2.24 -1.26 -4.26 114.28 113.85 1lhw n THR 40 Ca -0.20 -4.56 -0.08 0.00 -2.27 0.00 0.00 64.05 56.95 1lhw n THR 40 Cb 0.50 -1.26 -0.09 0.00 -2.10 0.00 0.00 70.33 67.38 1lhw n THR 40 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1lhw s SER 41 N -1.95 0.31 0.02 3.42 1.04 -1.26 -1.31 113.70 113.97 1lhw s SER 41 Ca 0.50 -0.79 -0.05 0.00 0.48 0.00 0.00 55.95 56.09 1lhw s SER 41 Cb 0.42 0.25 -0.01 0.00 0.10 0.00 0.00 66.02 66.78 1lhw s SER 41 CO -0.33 -0.62 0.09 -0.44 0.98 0.00 0.00 173.24 172.91 1lhw s SER 42 N -2.72 0.12 0.04 7.02 0.01 -0.34 -1.71 113.70 116.11 1lhw s SER 42 Ca 0.04 -0.37 -0.08 0.00 1.31 0.00 0.00 55.95 56.85 1lhw s SER 42 Cb 0.05 0.19 -0.00 0.00 0.21 0.00 0.00 66.02 66.46 1lhw s SER 42 CO -0.09 -0.39 0.16 -0.94 0.41 0.00 0.00 173.24 172.39 1lhw s SER 43 N -1.61 0.08 0.08 2.44 1.04 -0.61 -1.08 113.70 114.04 1lhw s SER 43 Ca -0.12 -0.41 -0.27 0.00 0.48 0.00 0.00 55.95 55.62 1lhw s SER 43 Cb -0.06 0.27 0.09 0.00 0.10 0.00 0.00 66.02 66.41 1lhw s SER 43 CO -0.01 -0.54 1.11 0.72 0.98 0.00 0.00 173.24 175.51 1lhw s PHE 44 N -2.54 -0.07 0.02 5.02 -0.12 -0.29 -0.48 117.98 119.52 1lhw s PHE 44 Ca -0.05 -0.15 0.08 0.00 -0.05 0.00 0.00 56.93 56.76 1lhw s PHE 44 Cb -0.01 0.60 -0.03 0.00 -0.63 0.00 0.00 43.02 42.95 1lhw s PHE 44 CO -0.04 -0.59 -0.24 -1.21 -0.05 0.00 0.00 175.22 173.09 1lhw s GLU 45 N -2.82 2.00 0.03 1.99 2.02 -0.15 0.01 118.70 121.78 1lhw s GLU 45 Ca 0.14 -1.00 0.02 0.00 0.02 0.00 0.00 54.97 54.15 1lhw s GLU 45 Cb 0.01 -2.06 -0.02 0.00 0.10 0.00 0.00 34.13 32.16 1lhw s GLU 45 CO -0.00 0.54 -0.06 0.54 0.02 0.00 0.00 175.26 176.30 1lhw s VAL 46 N -0.75 0.41 -0.01 2.63 0.11 -0.51 -1.57 120.40 120.71 1lhw s VAL 46 Ca 0.12 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.31 1lhw s VAL 46 Cb -0.10 -0.47 0.01 0.00 -1.53 0.00 0.00 36.38 34.29 1lhw s VAL 46 CO 0.01 -0.31 0.01 -0.60 -3.33 0.00 0.00 175.10 170.88 1lhw s ARG 47 N -1.24 0.06 -0.12 1.54 3.52 -0.73 -0.60 118.95 121.38 1lhw s ARG 47 Ca -0.09 0.06 -0.32 0.00 -0.13 0.00 0.00 55.73 55.26 1lhw s ARG 47 Cb -0.08 -0.18 0.13 0.00 -1.56 0.00 0.00 34.95 33.25 1lhw s ARG 47 CO 0.00 -0.07 1.06 -0.08 -0.81 0.00 0.00 175.30 175.40 1lhw s THR 48 N 0.50 0.00 -0.78 4.11 -1.32 -1.26 -0.63 115.64 116.25 1lhw s THR 48 Ca -0.04 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.51 1lhw s THR 48 Cb -0.07 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.05 1lhw s THR 48 CO -0.01 0.00 0.94 0.79 -2.21 0.00 0.00 174.62 174.13 1lhw n TRP 49 N -0.01 0.15 -2.97 9.09 7.02 -1.26 -1.61 117.44 127.84 1lhw n TRP 49 Ca -0.05 -0.24 -0.41 0.00 -1.02 0.00 0.00 57.50 55.79 1lhw n TRP 49 Cb 0.60 -0.02 -0.05 0.00 -2.42 0.00 0.00 31.31 29.42 1lhw n TRP 49 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1lhw s ASP 50 N -0.80 6.80 0.00 -0.99 -1.08 -1.26 -4.95 116.67 114.39 1lhw s ASP 50 Ca 0.12 0.99 0.29 0.00 -0.52 0.00 0.00 52.55 53.43 1lhw s ASP 50 Cb 0.07 -2.41 1.31 0.00 -1.46 0.00 0.00 42.92 40.43 1lhw s ASP 50 CO 0.10 -0.40 1.94 -0.81 0.52 0.00 0.00 175.17 176.51 1lhw n PRO 51 N 5.51 0.28 -3.79 4.34 -0.04 -1.26 -4.72 135.00 135.32 1lhw n PRO 51 Ca 0.03 -0.03 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1lhw n PRO 51 Cb 0.49 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.32 1lhw n PRO 51 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1lhw s GLU 52 N -2.74 0.21 0.00 0.54 2.12 -1.26 -0.27 118.70 117.30 1lhw s GLU 52 Ca 0.22 0.32 0.00 0.00 0.36 0.00 0.00 54.97 55.87 1lhw s GLU 52 Cb 0.20 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.63 1lhw s GLU 52 CO 0.50 -0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.57 1lhw n GLY 53 N 3.28 1.47 3.74 -1.50 0.00 -0.71 -4.41 105.19 107.06 1lhw n GLY 53 Ca -0.16 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.23 1lhw n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lhw s VAL 54 N -1.96 5.26 -0.17 1.61 1.01 0.11 -0.29 120.40 125.98 1lhw s VAL 54 Ca 0.00 0.67 -0.16 0.00 0.00 0.00 0.00 61.98 62.49 1lhw s VAL 54 Cb 0.00 -3.68 -0.12 0.00 0.00 0.00 0.00 36.38 32.58 1lhw s VAL 54 CO 0.00 0.39 0.09 0.40 0.00 0.00 0.00 175.10 175.98 1lhw h ILE 55 N 4.63 0.56 -3.00 2.22 2.04 -1.38 -3.34 117.51 119.23 1lhw h ILE 55 Ca -0.42 -1.64 -0.07 0.00 1.00 0.00 0.00 64.86 63.73 1lhw h ILE 55 Cb 1.17 1.28 -0.16 0.00 -0.74 0.00 0.00 36.82 38.37 1lhw h ILE 55 CO 0.74 0.19 -0.08 0.72 0.00 0.00 0.00 178.15 179.73 1lhw s PHE 56 N -2.23 -0.29 0.07 1.37 -0.12 -0.77 -0.64 117.98 115.35 1lhw s PHE 56 Ca -0.20 0.25 0.07 0.00 -0.05 0.00 0.00 56.93 57.00 1lhw s PHE 56 Cb 0.03 0.24 -0.03 0.00 -0.63 0.00 0.00 43.02 42.64 1lhw s PHE 56 CO 0.40 -0.59 -0.18 -0.47 -0.05 0.00 0.00 175.22 174.33 1lhw s TYR 57 N -2.54 1.60 0.02 3.49 5.04 0.21 -0.94 117.35 124.22 1lhw s TYR 57 Ca -0.05 -0.39 -0.10 0.00 -2.44 0.00 0.00 57.07 54.08 1lhw s TYR 57 Cb -0.01 -0.92 0.01 0.00 0.35 0.00 0.00 41.96 41.39 1lhw s TYR 57 CO -0.03 0.11 0.21 0.20 -1.34 0.00 0.00 175.55 174.71 1lhw s GLY 58 N -1.48 -0.01 0.32 8.97 0.00 0.44 -0.01 107.32 115.54 1lhw s GLY 58 Ca 0.05 -0.10 -0.19 0.00 0.00 0.00 0.00 44.72 44.48 1lhw s GLY 58 CO 0.03 -0.28 0.79 0.51 0.00 0.00 0.00 173.10 174.15 1lhw s ASP 59 N -1.75 -0.11 0.00 1.64 1.47 -0.55 -0.22 116.67 117.15 1lhw s ASP 59 Ca -0.09 -0.86 0.00 0.00 1.18 0.00 0.00 52.55 52.77 1lhw s ASP 59 Cb -0.04 0.76 0.00 0.00 -0.34 0.00 0.00 42.92 43.30 1lhw s ASP 59 CO -0.01 -1.46 0.03 0.35 0.68 0.00 0.00 175.17 174.75 1lhw n THR 60 N -0.51 0.00 -3.15 2.11 -2.24 -0.67 -1.40 114.28 108.41 1lhw n THR 60 Ca -0.06 -0.22 0.05 0.00 -2.27 0.00 0.00 64.05 61.55 1lhw n THR 60 Cb 0.60 1.07 -0.01 0.00 -2.10 0.00 0.00 70.33 69.88 1lhw n THR 60 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1lhw s ASN 61 N -0.38 -0.71 0.59 3.42 3.84 -1.14 -3.97 114.94 116.58 1lhw s ASN 61 Ca 0.00 0.43 0.29 0.00 0.21 0.00 0.00 52.86 53.79 1lhw s ASN 61 Cb 0.00 1.59 1.75 0.00 -0.55 0.00 0.00 41.25 44.04 1lhw s ASN 61 CO 0.00 -0.13 2.21 1.55 -2.79 0.00 0.00 177.10 177.93 1lhw h PRO 62 N 7.98 0.00 -0.06 0.43 0.13 -1.94 0.54 132.00 139.07 1lhw h PRO 62 Ca -0.16 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.95 1lhw h PRO 62 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1lhw h PRO 62 CO -0.00 0.00 -0.05 0.87 -0.23 0.00 0.00 178.00 178.59 1lhw h LYS 63 N 0.00 0.13 0.00 0.86 1.57 -2.00 -3.43 116.57 113.71 1lhw h LYS 63 Ca 0.02 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1lhw h LYS 63 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1lhw h LYS 63 CO -0.00 0.56 -0.24 -0.40 -0.57 0.00 0.00 179.45 178.80 1lhw n ASP 64 N -4.75 0.00 -3.19 0.86 5.68 -0.99 -4.98 116.55 109.18 1lhw n ASP 64 Ca -0.07 -1.48 -0.18 0.00 -0.50 0.00 0.00 54.79 52.55 1lhw n ASP 64 Cb 0.28 -0.10 -0.06 0.00 -1.14 0.00 0.00 41.12 40.10 1lhw n ASP 64 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1lhw s ASP 65 N -0.48 0.49 0.12 -1.12 3.68 0.14 -4.05 116.67 115.44 1lhw s ASP 65 Ca 0.00 -2.40 0.02 0.00 2.13 0.00 0.00 52.55 52.30 1lhw s ASP 65 Cb 0.00 0.46 -0.04 0.00 -1.45 0.00 0.00 42.92 41.89 1lhw s ASP 65 CO 0.00 -0.15 -0.04 -1.66 0.13 0.00 0.00 175.17 173.45 1lhw s TRP 66 N 0.55 0.96 -0.03 -5.34 1.48 0.06 -1.67 118.94 114.95 1lhw s TRP 66 Ca 0.29 -0.96 -0.05 0.00 -1.06 0.00 0.00 56.10 54.32 1lhw s TRP 66 Cb -0.01 -0.55 0.01 0.00 -1.16 0.00 0.00 33.47 31.75 1lhw s TRP 66 CO -0.12 -0.19 0.12 0.12 -4.06 0.00 0.00 176.95 172.82 1lhw s PHE 67 N -3.66 -0.06 -0.02 1.66 5.36 0.69 -0.68 117.98 121.27 1lhw s PHE 67 Ca 0.15 0.15 -0.01 0.00 -0.96 0.00 0.00 56.93 56.26 1lhw s PHE 67 Cb 0.06 0.00 0.02 0.00 -0.34 0.00 0.00 43.02 42.75 1lhw s PHE 67 CO -0.02 -0.14 0.04 1.41 -1.46 0.00 0.00 175.22 175.04 1lhw s MET 68 N -0.47 0.01 -0.12 10.12 -2.45 0.48 -0.42 119.30 126.45 1lhw s MET 68 Ca -0.05 0.12 0.03 0.00 -1.25 0.00 0.00 55.69 54.53 1lhw s MET 68 Cb -0.04 -0.09 -0.00 0.00 1.25 0.00 0.00 34.83 35.95 1lhw s MET 68 CO 0.00 -0.08 -0.21 -1.17 1.05 0.00 0.00 175.02 174.62 1lhw s LEU 69 N 0.48 2.22 0.00 4.11 2.96 -0.12 -1.37 118.68 126.97 1lhw s LEU 69 Ca -0.04 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.35 1lhw s LEU 69 Cb -0.06 -1.46 0.00 0.00 0.50 0.00 0.00 46.19 45.17 1lhw s LEU 69 CO -0.02 0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.76 1lhw n GLY 70 N 3.66 2.72 3.38 7.98 0.00 -0.27 -0.98 105.19 121.68 1lhw n GLY 70 Ca -0.19 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 1lhw n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lhw s LEU 71 N 0.00 2.31 -0.07 0.99 1.43 0.60 -0.58 118.68 123.37 1lhw s LEU 71 Ca 0.00 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1lhw s LEU 71 Cb 0.00 -1.40 0.04 0.00 0.03 0.00 0.00 46.19 44.86 1lhw s LEU 71 CO 0.00 0.30 0.15 -0.60 0.23 0.00 0.00 176.35 176.43 1lhw s ARG 72 N -0.94 0.08 -1.45 1.70 3.52 -0.07 -1.73 118.95 120.05 1lhw s ARG 72 Ca 0.12 0.44 -0.08 0.00 -0.13 0.00 0.00 55.73 56.07 1lhw s ARG 72 Cb -0.10 -0.20 0.04 0.00 -1.56 0.00 0.00 34.95 33.12 1lhw s ARG 72 CO 0.01 -0.21 0.72 -0.25 -0.81 0.00 0.00 175.30 174.76 1lhw n ASP 73 N 4.56 -5.22 0.00 -2.12 8.00 -0.80 -1.60 116.55 119.37 1lhw n ASP 73 Ca -0.20 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 54.86 1lhw n ASP 73 Cb 0.51 -4.21 0.00 0.00 -0.02 0.00 0.00 41.12 37.40 1lhw n ASP 73 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lhw n GLY 74 N -1.52 2.53 3.78 0.44 0.00 0.63 -4.93 105.19 106.12 1lhw n GLY 74 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 1lhw n GLY 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lhw s ARG 75 N 0.00 2.85 0.43 1.61 0.52 -0.63 -0.14 118.95 123.60 1lhw s ARG 75 Ca 0.00 -0.85 -0.26 0.00 -0.52 0.00 0.00 55.73 54.10 1lhw s ARG 75 Cb 0.00 -2.64 -0.09 0.00 0.52 0.00 0.00 34.95 32.74 1lhw s ARG 75 CO 0.00 0.50 1.39 -2.30 0.02 0.00 0.00 175.30 174.91 1lhw n PRO 76 N -0.15 2.19 -4.00 3.54 -0.02 -1.16 -0.89 135.00 134.51 1lhw n PRO 76 Ca -0.09 0.78 -0.14 0.00 -2.02 0.00 0.00 63.50 62.03 1lhw n PRO 76 Cb 0.54 -2.56 -0.14 0.00 -0.02 0.00 0.00 33.50 31.32 1lhw n PRO 76 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1lhw s GLU 77 N -2.34 0.20 -0.06 -0.52 2.12 0.26 -1.55 118.70 116.81 1lhw s GLU 77 Ca 0.60 -0.07 0.05 0.00 0.36 0.00 0.00 54.97 55.91 1lhw s GLU 77 Cb -0.47 -0.22 -0.01 0.00 0.26 0.00 0.00 34.13 33.70 1lhw s GLU 77 CO 0.58 0.03 -0.22 0.42 -0.54 0.00 0.00 175.26 175.54 1lhw s ILE 78 N 0.05 1.83 -0.05 -3.70 1.01 -0.01 -1.11 121.20 119.22 1lhw s ILE 78 Ca -0.00 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 59.79 1lhw s ILE 78 Cb -0.02 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 1lhw s ILE 78 CO -0.00 0.51 -0.25 -1.10 0.00 0.00 0.00 174.94 174.10 1lhw s GLN 79 N 0.01 2.43 -0.01 2.79 -0.21 -0.47 -0.57 119.66 123.63 1lhw s GLN 79 Ca -0.07 -0.90 -0.01 0.00 0.02 0.00 0.00 55.36 54.41 1lhw s GLN 79 Cb -0.14 -2.14 0.00 0.00 1.00 0.00 0.00 33.01 31.73 1lhw s GLN 79 CO 0.04 0.45 0.03 -1.17 -2.12 0.00 0.00 175.29 172.52 1lhw s LEU 80 N -0.32 1.88 -0.19 2.90 2.96 -0.32 -0.39 118.68 125.20 1lhw s LEU 80 Ca 0.01 0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 53.94 1lhw s LEU 80 Cb -0.12 0.10 0.08 0.00 0.50 0.00 0.00 46.19 46.75 1lhw s LEU 80 CO 0.02 -0.01 0.18 -2.28 -1.32 0.00 0.00 176.35 172.94 1lhw s HIS 81 N 0.03 -0.14 0.09 5.38 5.65 0.15 -1.19 115.29 125.26 1lhw s HIS 81 Ca -0.00 0.08 -0.01 0.00 0.25 0.00 0.00 55.06 55.38 1lhw s HIS 81 Cb -0.00 -0.45 0.00 0.00 -1.18 0.00 0.00 32.58 30.95 1lhw s HIS 81 CO 0.00 -0.57 0.13 0.27 -0.65 0.00 0.00 174.74 173.93 1lhw n ASN 82 N 5.31 -0.37 0.18 9.88 0.23 -0.18 -0.76 115.26 129.54 1lhw n ASN 82 Ca -0.06 -1.46 0.06 0.00 -0.53 0.00 0.00 54.58 52.59 1lhw n ASN 82 Cb 0.49 0.67 0.54 0.00 -2.08 0.00 0.00 39.78 39.41 1lhw n ASN 82 CO 0.00 0.00 0.00 -0.74 -0.93 0.00 0.00 177.26 175.59 1lhw h HIS 83 N 1.25 0.15 0.00 -2.53 -0.00 -1.92 -3.18 115.15 108.92 1lhw h HIS 83 Ca -0.07 -0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.21 1lhw h HIS 83 Cb 0.30 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.64 1lhw h HIS 83 CO 0.00 0.15 -1.78 0.91 -0.00 0.00 0.00 177.93 177.21 1lhw n TRP 84 N -4.46 0.34 -3.56 5.26 8.01 -1.26 -5.02 117.44 116.75 1lhw n TRP 84 Ca -0.01 0.11 -0.15 0.00 -1.31 0.00 0.00 57.50 56.14 1lhw n TRP 84 Cb 0.13 -0.76 -0.05 0.00 -2.01 0.00 0.00 31.31 28.61 1lhw n TRP 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1lhw s ALA 85 N -3.23 -1.42 -0.15 6.99 0.00 -1.20 -4.89 121.76 117.85 1lhw s ALA 85 Ca -0.06 0.74 -0.04 0.00 0.00 0.00 0.00 51.96 52.60 1lhw s ALA 85 Cb 0.11 0.32 0.06 0.00 0.00 0.00 0.00 23.12 23.61 1lhw s ALA 85 CO 0.86 -0.48 0.12 -0.65 0.00 0.00 0.00 175.76 175.61 1lhw s GLN 86 N -2.20 0.07 0.10 0.00 1.11 -1.26 -1.02 119.66 116.46 1lhw s GLN 86 Ca -0.07 0.11 -0.10 0.00 0.01 0.00 0.00 55.36 55.31 1lhw s GLN 86 Cb -0.01 -1.36 0.01 0.00 -1.01 0.00 0.00 33.01 30.64 1lhw s GLN 86 CO 0.00 -0.58 0.24 -0.48 0.01 0.00 0.00 175.29 174.48 1lhw s LEU 87 N 2.20 1.18 -0.18 2.90 0.05 -0.33 -4.99 118.68 119.51 1lhw s LEU 87 Ca 0.04 -0.57 -0.03 0.00 0.05 0.00 0.00 54.13 53.62 1lhw s LEU 87 Cb -0.15 1.23 0.06 0.00 -2.05 0.00 0.00 46.19 45.27 1lhw s LEU 87 CO -0.08 -0.76 0.03 -0.89 -0.55 0.00 0.00 176.35 174.10 1lhw s THR 88 N -3.85 0.50 -0.02 5.48 2.01 -1.26 -1.17 115.64 117.33 1lhw s THR 88 Ca 0.04 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.57 1lhw s THR 88 Cb 0.04 -0.97 0.02 0.00 0.01 0.00 0.00 72.50 71.60 1lhw s THR 88 CO -0.11 -0.16 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.96 1lhw s VAL 89 N 1.87 0.25 0.01 3.82 1.01 0.26 -5.00 120.40 122.64 1lhw s VAL 89 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1lhw s VAL 89 Cb -0.16 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 1lhw s VAL 89 CO -0.08 0.14 0.09 -0.83 0.00 0.00 0.00 175.10 174.42 1lhw s GLY 90 N 0.71 2.03 0.02 4.51 0.00 -1.26 -0.83 107.32 112.49 1lhw s GLY 90 Ca -0.07 -0.89 -0.28 0.00 0.00 0.00 0.00 44.72 43.47 1lhw s GLY 90 CO -0.01 -0.79 0.96 0.00 0.00 0.00 0.00 173.10 173.25 1lhw s ALA 91 N -1.24 -1.83 0.00 3.20 0.00 -0.60 -5.01 121.76 116.29 1lhw s ALA 91 Ca 0.25 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1lhw s ALA 91 Cb -0.12 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.42 1lhw s ALA 91 CO 0.16 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.54 1lhw n GLY 92 N -0.30 -0.87 3.88 0.00 0.00 -1.26 -3.00 105.19 103.64 1lhw n GLY 92 Ca -0.07 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 1lhw n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1lhw s PRO 93 N -1.63 2.11 0.39 1.61 0.04 -1.26 -4.72 135.00 131.53 1lhw s PRO 93 Ca 0.00 0.24 -0.27 0.00 0.04 0.00 0.00 61.00 61.01 1lhw s PRO 93 Cb 0.00 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 1lhw s PRO 93 CO 0.00 -1.52 1.28 1.03 0.04 0.00 0.00 177.00 177.83 1lhw s ARG 94 N -5.48 4.08 0.00 4.56 0.52 -1.26 -4.36 118.95 117.01 1lhw s ARG 94 Ca 0.61 2.12 0.09 0.00 -0.52 0.00 0.00 55.73 58.02 1lhw s ARG 94 Cb -0.12 -2.83 0.08 0.00 0.52 0.00 0.00 34.95 32.61 1lhw s ARG 94 CO 0.50 -0.38 0.80 1.28 0.02 0.00 0.00 175.30 177.52 1lhw n LEU 95 N 0.30 1.78 -2.50 2.53 4.77 0.80 -4.73 117.00 119.95 1lhw n LEU 95 Ca 0.03 -1.07 -0.29 0.00 -0.03 0.00 0.00 56.01 54.64 1lhw n LEU 95 Cb 0.44 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 1lhw n LEU 95 CO 0.56 0.36 1.52 -0.90 -1.33 0.00 0.00 177.39 177.60 1lhw n ASP 96 N 0.47 6.82 -1.22 -1.43 5.75 -1.24 -4.37 116.55 121.33 1lhw n ASP 96 Ca 0.05 -3.39 0.09 0.00 -0.01 0.00 0.00 54.79 51.53 1lhw n ASP 96 Cb 0.23 -1.15 0.29 0.00 -1.03 0.00 0.00 41.12 39.45 1lhw n ASP 96 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1lhw n ASP 97 N 0.33 4.10 0.00 -1.12 5.68 -1.19 -4.49 116.55 119.86 1lhw n ASP 97 Ca 0.49 -2.40 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 1lhw n ASP 97 Cb 0.49 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 1lhw n ASP 97 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lhw n GLY 98 N 0.74 0.34 3.77 6.12 0.00 -0.64 -5.00 105.19 110.52 1lhw n GLY 98 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 1lhw n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lhw s ARG 99 N -0.77 2.80 0.16 1.61 0.52 -1.26 -4.72 118.95 117.29 1lhw s ARG 99 Ca 0.00 -0.88 -0.30 0.00 -0.52 0.00 0.00 55.73 54.03 1lhw s ARG 99 Cb 0.00 -2.61 -0.08 0.00 0.52 0.00 0.00 34.95 32.78 1lhw s ARG 99 CO 0.00 0.50 1.31 -1.58 0.02 0.00 0.00 175.30 175.55 1lhw s TRP 100 N -1.67 3.28 -0.06 -0.53 0.52 -1.26 -4.40 118.94 114.82 1lhw s TRP 100 Ca 0.30 1.17 0.02 0.00 0.02 0.00 0.00 56.10 57.61 1lhw s TRP 100 Cb -0.10 -3.59 0.01 0.00 -1.15 0.00 0.00 33.47 28.64 1lhw s TRP 100 CO 0.22 -1.91 -0.12 -1.01 0.02 0.00 0.00 176.95 174.15 1lhw s HIS 101 N 0.47 1.47 0.07 -1.98 3.76 0.23 -4.94 115.29 114.36 1lhw s HIS 101 Ca 0.59 -0.54 -0.28 0.00 -0.15 0.00 0.00 55.06 54.67 1lhw s HIS 101 Cb -0.36 -1.08 -0.05 0.00 1.11 0.00 0.00 32.58 32.21 1lhw s HIS 101 CO 0.35 -0.27 0.91 -1.14 -0.85 0.00 0.00 174.74 173.73 1lhw s GLN 102 N 0.64 4.61 -0.03 1.40 0.74 -1.26 -1.42 119.66 124.34 1lhw s GLN 102 Ca -0.14 1.33 0.03 0.00 0.05 0.00 0.00 55.36 56.62 1lhw s GLN 102 Cb -0.16 -3.39 -0.00 0.00 1.10 0.00 0.00 33.01 30.56 1lhw s GLN 102 CO 0.04 0.18 -0.12 0.08 -0.55 0.00 0.00 175.29 174.92 1lhw s VAL 103 N 0.20 0.98 -0.03 1.34 1.01 0.10 -0.32 120.40 123.68 1lhw s VAL 103 Ca 0.45 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.99 1lhw s VAL 103 Cb -0.22 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.30 1lhw s VAL 103 CO 0.27 0.30 -0.12 -1.61 0.00 0.00 0.00 175.10 173.94 1lhw s GLU 104 N 0.09 1.27 -0.09 2.72 2.02 -0.17 -1.14 118.70 123.40 1lhw s GLU 104 Ca -0.02 -0.42 0.01 0.00 0.02 0.00 0.00 54.97 54.56 1lhw s GLU 104 Cb -0.09 -1.14 0.02 0.00 0.10 0.00 0.00 34.13 33.02 1lhw s GLU 104 CO 0.01 0.16 -0.10 0.08 0.02 0.00 0.00 175.26 175.43 1lhw s VAL 105 N 0.14 1.06 0.12 2.63 1.01 -0.24 -0.72 120.40 124.40 1lhw s VAL 105 Ca -0.03 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 1lhw s VAL 105 Cb -0.10 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.26 1lhw s VAL 105 CO 0.01 0.36 0.27 -1.59 0.00 0.00 0.00 175.10 174.14 1lhw s LYS 106 N 1.21 0.98 -0.17 2.72 -2.85 -0.36 -1.20 119.74 120.08 1lhw s LYS 106 Ca -0.04 -0.96 -0.13 0.00 -1.00 0.00 0.00 55.97 53.83 1lhw s LYS 106 Cb -0.14 0.38 -0.05 0.00 -2.06 0.00 0.00 37.83 35.96 1lhw s LYS 106 CO -0.03 -0.35 0.27 -1.64 0.10 0.00 0.00 175.35 173.71 1lhw s MET 107 N -3.88 4.24 -0.34 1.78 -1.94 -0.42 0.06 119.30 118.79 1lhw s MET 107 Ca 0.08 0.05 -0.00 0.00 -1.71 0.00 0.00 55.69 54.10 1lhw s MET 107 Cb 0.04 -3.44 0.11 0.00 2.01 0.00 0.00 34.83 33.55 1lhw s MET 107 CO -0.08 0.21 0.14 -2.00 -0.01 0.00 0.00 175.02 173.28 1lhw s GLU 108 N 0.56 0.83 7.53 2.03 2.56 -0.09 -4.87 118.70 127.25 1lhw s GLU 108 Ca 0.15 -1.30 0.00 0.00 0.00 0.00 0.00 54.97 53.82 1lhw s GLU 108 Cb -0.13 -2.01 0.00 0.00 2.00 0.00 0.00 34.13 33.99 1lhw s GLU 108 CO 0.03 -1.04 0.00 0.41 -0.56 0.00 0.00 175.26 174.10 1lhw n GLY 109 N 4.49 2.87 0.90 -1.50 0.00 -1.26 -1.43 105.19 109.27 1lhw n GLY 109 Ca 0.01 -0.22 0.06 0.00 0.00 0.00 0.00 46.02 45.87 1lhw n GLY 109 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1lhw n ASP 110 N 6.39 2.61 -4.63 1.61 3.85 -1.26 -4.92 116.55 120.19 1lhw n ASP 110 Ca 0.00 -2.12 -0.24 0.00 -0.71 0.00 0.00 54.79 51.72 1lhw n ASP 110 Cb 0.00 -0.36 -0.08 0.00 -1.35 0.00 0.00 41.12 39.34 1lhw n ASP 110 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 1lhw s SER 111 N -0.87 4.50 -0.18 -1.12 0.01 -0.51 -1.33 113.70 114.19 1lhw s SER 111 Ca 0.29 -0.63 -0.03 0.00 1.31 0.00 0.00 55.95 56.89 1lhw s SER 111 Cb 0.17 -0.82 -0.02 0.00 0.21 0.00 0.00 66.02 65.56 1lhw s SER 111 CO 0.17 0.02 -0.06 -0.69 0.41 0.00 0.00 173.24 173.09 1lhw s VAL 112 N -2.22 3.51 -0.13 3.43 1.01 -0.22 -0.91 120.40 124.86 1lhw s VAL 112 Ca 0.30 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1lhw s VAL 112 Cb -0.07 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1lhw s VAL 112 CO 0.19 0.47 -0.08 -0.22 0.00 0.00 0.00 175.10 175.46 1lhw s LEU 113 N 0.86 3.03 -0.19 3.92 2.96 0.11 -0.41 118.68 128.95 1lhw s LEU 113 Ca -0.01 -0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1lhw s LEU 113 Cb -0.15 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.85 1lhw s LEU 113 CO 0.01 0.20 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.90 1lhw s LEU 114 N 0.15 2.52 -0.07 -0.68 2.96 0.13 -1.22 118.68 122.46 1lhw s LEU 114 Ca -0.04 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.40 1lhw s LEU 114 Cb -0.14 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 1lhw s LEU 114 CO 0.04 0.01 -0.17 -1.61 -1.32 0.00 0.00 176.35 173.29 1lhw s GLU 115 N 1.29 2.74 -0.10 1.98 2.02 0.10 -1.23 118.70 125.50 1lhw s GLU 115 Ca 0.04 -0.76 0.02 0.00 0.02 0.00 0.00 54.97 54.29 1lhw s GLU 115 Cb -0.14 -2.38 0.01 0.00 0.10 0.00 0.00 34.13 31.73 1lhw s GLU 115 CO -0.07 0.45 -0.15 0.08 0.02 0.00 0.00 175.26 175.59 1lhw s VAL 116 N -0.28 1.43 -1.52 2.63 1.01 0.83 -1.00 120.40 123.49 1lhw s VAL 116 Ca 0.01 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 1lhw s VAL 116 Cb -0.13 -1.31 0.07 0.00 0.00 0.00 0.00 36.38 35.01 1lhw s VAL 116 CO 0.03 0.43 0.68 0.47 0.00 0.00 0.00 175.10 176.71 1lhw n ASP 117 N 4.15 -2.31 0.00 3.32 10.43 0.56 -0.94 116.55 131.76 1lhw n ASP 117 Ca -0.19 -0.94 0.00 0.00 2.57 0.00 0.00 54.79 56.22 1lhw n ASP 117 Cb 0.51 -3.22 0.00 0.00 1.84 0.00 0.00 41.12 40.25 1lhw n ASP 117 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1lhw n GLY 118 N -1.70 1.90 3.57 0.44 0.00 -1.26 -5.01 105.19 103.13 1lhw n GLY 118 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1lhw n GLY 118 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lhw s GLU 119 N -0.01 3.07 -0.04 1.61 0.41 -0.11 -5.07 118.70 118.56 1lhw s GLU 119 Ca 0.00 -0.52 -0.30 0.00 -0.41 0.00 0.00 54.97 53.74 1lhw s GLU 119 Cb 0.00 -2.72 -0.05 0.00 -1.78 0.00 0.00 34.13 29.59 1lhw s GLU 119 CO 0.00 0.54 1.39 -2.00 -0.49 0.00 0.00 175.26 174.70 1lhw s GLU 120 N -0.45 4.27 -0.00 1.61 2.12 -1.26 -0.12 118.70 124.86 1lhw s GLU 120 Ca 0.07 1.91 0.05 0.00 0.36 0.00 0.00 54.97 57.36 1lhw s GLU 120 Cb -0.12 -3.66 -0.07 0.00 0.26 0.00 0.00 34.13 30.54 1lhw s GLU 120 CO 0.02 -0.62 0.17 1.33 -0.54 0.00 0.00 175.26 175.62 1lhw n VAL 121 N 4.89 0.00 -3.65 3.70 0.24 -0.37 -4.92 118.33 118.23 1lhw n VAL 121 Ca 0.14 -0.27 -0.13 0.00 -2.04 0.00 0.00 64.34 62.04 1lhw n VAL 121 Cb 0.44 0.74 -0.07 0.00 -1.47 0.00 0.00 33.84 33.47 1lhw n VAL 121 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1lhw s LEU 122 N -2.72 -0.62 -0.17 1.34 2.96 -1.12 -4.39 118.68 113.96 1lhw s LEU 122 Ca 0.00 1.37 -0.03 0.00 -0.22 0.00 0.00 54.13 55.26 1lhw s LEU 122 Cb 0.04 2.31 0.05 0.00 0.50 0.00 0.00 46.19 49.09 1lhw s LEU 122 CO 0.21 -0.23 0.04 -0.60 -1.32 0.00 0.00 176.35 174.44 1lhw s ARG 123 N 0.56 0.54 -0.43 1.98 3.52 -1.26 -0.69 118.95 123.17 1lhw s ARG 123 Ca -0.02 -0.27 -0.19 0.00 -0.13 0.00 0.00 55.73 55.12 1lhw s ARG 123 Cb -0.05 -1.87 0.02 0.00 -1.56 0.00 0.00 34.95 31.50 1lhw s ARG 123 CO -0.02 -0.59 0.55 -0.51 -0.81 0.00 0.00 175.30 173.92 1lhw s LEU 124 N 1.93 4.67 0.24 -0.88 1.43 0.45 -4.93 118.68 121.58 1lhw s LEU 124 Ca 0.01 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1lhw s LEU 124 Cb -0.16 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.44 1lhw s LEU 124 CO -0.08 -0.69 0.47 -0.13 0.23 0.00 0.00 176.35 176.15 1lhw s ARG 125 N 2.51 3.59 -1.35 1.70 0.52 -1.26 -1.06 118.95 123.60 1lhw s ARG 125 Ca 0.18 -0.14 -0.08 0.00 -0.52 0.00 0.00 55.73 55.17 1lhw s ARG 125 Cb -0.15 -2.74 0.02 0.00 0.52 0.00 0.00 34.95 32.59 1lhw s ARG 125 CO 0.17 0.31 1.14 1.04 0.02 0.00 0.00 175.30 177.97 1lhw n GLN 126 N -0.74 -7.53 -0.10 3.54 6.02 -1.10 -4.90 117.38 112.56 1lhw n GLN 126 Ca -0.03 0.81 0.05 0.00 -0.01 0.00 0.00 57.00 57.81 1lhw n GLN 126 Cb 0.54 -5.84 0.10 0.00 1.02 0.00 0.00 30.24 26.06 1lhw n GLN 126 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1lhw n VAL 127 N -4.85 0.70 -4.16 5.09 0.24 -0.44 -4.78 118.33 110.13 1lhw n VAL 127 Ca -0.03 -0.85 -0.10 0.00 -2.04 0.00 0.00 64.34 61.31 1lhw n VAL 127 Cb 0.57 0.70 -0.10 0.00 -1.47 0.00 0.00 33.84 33.55 1lhw n VAL 127 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1lhw s SER 128 N -0.93 0.93 0.31 -1.34 0.01 -1.13 -4.59 113.70 106.96 1lhw s SER 128 Ca 0.17 -1.04 -0.04 0.00 1.31 0.00 0.00 55.95 56.34 1lhw s SER 128 Cb 0.09 0.14 -0.00 0.00 0.21 0.00 0.00 66.02 66.46 1lhw s SER 128 CO 0.13 -0.53 0.44 -0.83 0.41 0.00 0.00 173.24 172.86 1lhw s GLY 129 N -3.03 1.31 0.00 3.44 0.00 -1.26 -4.83 107.32 102.95 1lhw s GLY 129 Ca 0.13 -1.42 -0.02 0.00 0.00 0.00 0.00 44.72 43.42 1lhw s GLY 129 CO -0.05 -0.97 0.89 -1.05 0.00 0.00 0.00 173.10 171.92 1lhw n PRO 130 N -0.50 0.00 0.00 2.90 -0.02 -1.26 -5.14 135.00 130.98 1lhw n PRO 130 Ca 0.01 -0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.03 1lhw n PRO 130 Cb 0.62 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1lhw n PRO 130 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1lhw n LYS 134 N 4.80 0.06 0.06 -0.52 5.02 -1.26 -5.26 118.16 121.06 1lhw n LYS 134 Ca 0.03 -0.36 0.00 0.00 -2.02 0.00 0.00 58.31 55.95 1lhw n LYS 134 Cb 0.03 -0.66 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 1lhw n LYS 134 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1lhw n ARG 135 N -0.05 0.00 -4.34 1.97 3.00 -1.26 -4.92 116.66 111.06 1lhw n ARG 135 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.68 1lhw n ARG 135 Cb 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.60 1lhw n ARG 135 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1lhw s HIS 136 N -2.00 1.62 -1.48 -0.14 3.76 -1.25 -5.01 115.29 110.78 1lhw s HIS 136 Ca 0.00 -1.11 0.03 0.00 -0.15 0.00 0.00 55.06 53.83 1lhw s HIS 136 Cb 0.00 -0.97 0.12 0.00 1.11 0.00 0.00 32.58 32.83 1lhw s HIS 136 CO 0.00 -0.24 0.91 -0.35 -0.85 0.00 0.00 174.74 174.21 1lhw n PRO 137 N -0.50 1.43 -5.10 8.40 -0.04 -1.26 -4.79 135.00 133.15 1lhw n PRO 137 Ca -0.01 -0.46 -0.31 0.00 -0.04 0.00 0.00 63.50 62.68 1lhw n PRO 137 Cb 0.66 -1.34 -0.17 0.00 -0.04 0.00 0.00 33.50 32.61 1lhw n PRO 137 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1lhw s ILE 138 N -1.58 1.99 -0.09 0.52 1.01 -1.26 0.14 121.20 121.92 1lhw s ILE 138 Ca 0.08 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.77 1lhw s ILE 138 Cb 0.05 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 1lhw s ILE 138 CO 0.04 0.54 -0.12 -0.32 0.00 0.00 0.00 174.94 175.08 1lhw s MET 139 N 0.43 3.00 -0.04 2.79 -2.45 -0.61 -4.32 119.30 118.10 1lhw s MET 139 Ca -0.17 -0.66 0.02 0.00 -1.25 0.00 0.00 55.69 53.63 1lhw s MET 139 Cb -0.18 -2.55 -0.03 0.00 1.25 0.00 0.00 34.83 33.32 1lhw s MET 139 CO 0.07 0.43 -0.06 1.03 1.05 0.00 0.00 175.02 177.53 1lhw s ARG 140 N -0.20 2.67 -0.13 4.11 0.52 -0.49 0.33 118.95 125.76 1lhw s ARG 140 Ca 0.01 -0.62 -0.00 0.00 -0.52 0.00 0.00 55.73 54.59 1lhw s ARG 140 Cb -0.13 -2.56 0.03 0.00 0.52 0.00 0.00 34.95 32.81 1lhw s ARG 140 CO 0.03 0.64 -0.07 0.42 0.02 0.00 0.00 175.30 176.34 1lhw s ILE 141 N -0.90 1.06 -0.16 1.52 1.01 0.36 -1.48 121.20 122.61 1lhw s ILE 141 Ca 0.15 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.40 1lhw s ILE 141 Cb -0.11 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.23 1lhw s ILE 141 CO 0.04 0.32 -0.07 0.00 0.00 0.00 0.00 174.94 175.24 1lhw s ALA 142 N 1.69 2.86 -0.07 9.38 0.00 0.98 -0.68 121.76 135.92 1lhw s ALA 142 Ca 0.04 -0.88 -0.16 0.00 0.00 0.00 0.00 51.96 50.96 1lhw s ALA 142 Cb -0.13 -1.47 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 1lhw s ALA 142 CO -0.08 0.14 0.41 -0.51 0.00 0.00 0.00 175.76 175.72 1lhw s LEU 143 N 0.50 4.36 -0.73 0.00 1.43 -0.31 -0.62 118.68 123.30 1lhw s LEU 143 Ca -0.05 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 1lhw s LEU 143 Cb -0.15 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.49 1lhw s LEU 143 CO 0.03 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.39 1lhw n GLY 144 N 2.62 0.82 3.77 -3.19 0.00 0.18 -0.76 105.19 108.63 1lhw n GLY 144 Ca -0.11 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1lhw n GLY 144 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lhw s GLY 145 N -2.45 -0.24 0.37 -0.02 0.00 -1.26 -4.40 107.32 99.32 1lhw s GLY 145 Ca 0.00 0.30 0.07 0.00 0.00 0.00 0.00 44.72 45.09 1lhw s GLY 145 CO 0.00 1.80 0.42 1.08 0.00 0.00 0.00 173.10 176.40 1lhw s LEU 146 N -3.24 3.65 -0.17 0.66 1.43 -1.26 -4.06 118.68 115.68 1lhw s LEU 146 Ca 0.19 -0.47 0.16 0.00 -1.03 0.00 0.00 54.13 52.98 1lhw s LEU 146 Cb 0.02 -2.40 0.55 0.00 0.03 0.00 0.00 46.19 44.38 1lhw s LEU 146 CO -0.01 -0.54 1.45 0.18 0.23 0.00 0.00 176.35 177.66 1lhw n LEU 147 N -1.59 4.04 -3.81 1.79 4.77 -1.26 -4.51 117.00 116.43 1lhw n LEU 147 Ca 0.02 -2.95 -0.09 0.00 -0.03 0.00 0.00 56.01 52.96 1lhw n LEU 147 Cb 0.60 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1lhw n LEU 147 CO 0.42 0.67 0.24 0.72 -1.33 0.00 0.00 177.39 178.11 1lhw s PHE 148 N -2.71 0.01 0.51 -1.77 -0.00 -1.26 -5.03 117.98 107.73 1lhw s PHE 148 Ca 0.43 -0.36 -0.23 0.00 -0.00 0.00 0.00 56.93 56.76 1lhw s PHE 148 Cb 0.34 0.33 -0.07 0.00 -0.00 0.00 0.00 43.02 43.62 1lhw s PHE 148 CO 0.10 -0.92 1.29 -2.30 -0.00 0.00 0.00 175.22 173.39 1lhw n PRO 149 N -0.34 1.72 0.26 1.99 -0.02 -1.26 -4.87 135.00 132.47 1lhw n PRO 149 Ca -0.08 0.63 0.09 0.00 -2.02 0.00 0.00 63.50 62.11 1lhw n PRO 149 Cb 0.62 -2.48 0.66 0.00 -0.02 0.00 0.00 33.50 32.29 1lhw n PRO 149 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lhw h ALA 150 N 1.59 1.72 0.00 3.55 0.00 -1.98 -0.32 119.26 123.82 1lhw h ALA 150 Ca -0.50 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1lhw h ALA 150 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1lhw h ALA 150 CO 0.57 0.09 0.00 0.66 0.00 0.00 0.00 179.25 180.58 1lhw h SER 151 N 0.00 0.00 0.02 0.00 4.64 -1.89 -1.62 113.55 114.70 1lhw h SER 151 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lhw h SER 151 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1lhw h SER 151 CO 0.01 0.00 -0.03 0.59 -0.87 0.00 0.00 176.83 176.53 1lhw n ASN 152 N -2.49 1.41 -4.77 4.97 5.03 -0.13 -4.84 115.26 114.43 1lhw n ASN 152 Ca -0.01 -1.41 -0.31 0.00 0.87 0.00 0.00 54.58 53.72 1lhw n ASN 152 Cb 0.08 0.02 0.09 0.00 -1.02 0.00 0.00 39.78 38.95 1lhw n ASN 152 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1lhw s LEU 153 N -2.07 2.84 0.20 3.41 1.43 -0.61 -4.92 118.68 118.97 1lhw s LEU 153 Ca 0.36 1.64 -0.10 0.00 -1.03 0.00 0.00 54.13 55.00 1lhw s LEU 153 Cb 0.21 -4.32 0.14 0.00 0.03 0.00 0.00 46.19 42.26 1lhw s LEU 153 CO 0.36 -2.01 1.83 0.03 0.23 0.00 0.00 176.35 176.79 1lhw h ARG 154 N -1.11 1.02 -3.56 1.70 3.08 -1.90 -3.36 114.38 110.25 1lhw h ARG 154 Ca -0.45 -0.11 -0.57 0.00 0.07 0.00 0.00 59.98 58.92 1lhw h ARG 154 Cb 1.24 -0.20 -0.40 0.00 0.08 0.00 0.00 29.97 30.69 1lhw h ARG 154 CO 0.54 0.75 -0.76 -1.17 -1.07 0.00 0.00 179.97 178.26 1lhw s LEU 155 N -9.97 2.02 0.63 3.04 2.96 -1.26 -5.13 118.68 110.97 1lhw s LEU 155 Ca -0.13 -1.48 -0.18 0.00 -0.22 0.00 0.00 54.13 52.12 1lhw s LEU 155 Cb 0.15 -0.82 -0.03 0.00 0.50 0.00 0.00 46.19 46.00 1lhw s LEU 155 CO 0.79 -0.39 1.13 -2.65 -1.32 0.00 0.00 176.35 173.91 1lhw n PRO 156 N 4.89 0.98 -4.10 0.98 -0.02 -1.26 -5.03 135.00 131.44 1lhw n PRO 156 Ca -0.04 0.39 -0.11 0.00 -2.02 0.00 0.00 63.50 61.72 1lhw n PRO 156 Cb 0.43 -2.35 -0.07 0.00 -0.02 0.00 0.00 33.50 31.48 1lhw n PRO 156 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1lhw s LEU 157 N -3.24 0.77 -0.43 2.45 0.05 -1.26 -5.09 118.68 111.92 1lhw s LEU 157 Ca 0.80 -1.20 -0.20 0.00 0.05 0.00 0.00 54.13 53.58 1lhw s LEU 157 Cb -0.39 1.13 0.02 0.00 -2.05 0.00 0.00 46.19 44.90 1lhw s LEU 157 CO 0.43 -1.03 0.62 -0.69 -0.55 0.00 0.00 176.35 175.13 1lhw s VAL 158 N -3.97 4.86 0.47 1.48 1.01 -1.26 -4.87 120.40 118.12 1lhw s VAL 158 Ca 0.31 0.11 0.21 0.00 0.00 0.00 0.00 61.98 62.61 1lhw s VAL 158 Cb 0.03 -4.17 0.38 0.00 0.00 0.00 0.00 36.38 32.62 1lhw s VAL 158 CO 0.12 -0.54 1.93 1.55 0.00 0.00 0.00 175.10 178.16 1lhw h PRO 159 N 8.81 0.23 -6.28 2.72 0.13 -1.90 -3.33 132.00 132.40 1lhw h PRO 159 Ca -0.26 -0.01 -0.62 0.00 -0.87 0.00 0.00 66.00 64.24 1lhw h PRO 159 Cb 1.10 -0.05 0.02 0.00 0.13 0.00 0.00 31.00 32.20 1lhw h PRO 159 CO 0.87 0.16 1.07 0.00 -0.23 0.00 0.00 178.00 179.87 1lhw n ALA 160 N -2.58 0.82 -4.05 -0.56 0.00 -1.24 0.07 120.51 112.98 1lhw n ALA 160 Ca 0.14 0.30 -0.32 0.00 0.00 0.00 0.00 53.44 53.56 1lhw n ALA 160 Cb 0.62 -2.47 -0.15 0.00 0.00 0.00 0.00 19.45 17.44 1lhw n ALA 160 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1lhw s LEU 161 N 3.86 3.51 -1.21 0.00 2.96 -1.26 -4.31 118.68 122.24 1lhw s LEU 161 Ca 0.92 -1.46 -0.19 0.00 -0.22 0.00 0.00 54.13 53.18 1lhw s LEU 161 Cb -0.72 -1.52 0.08 0.00 0.50 0.00 0.00 46.19 44.53 1lhw s LEU 161 CO 0.52 -0.22 1.62 -0.62 -1.32 0.00 0.00 176.35 176.33 1lhw s ASP 162 N 1.11 6.77 0.32 3.68 2.15 -1.26 -3.61 116.67 125.82 1lhw s ASP 162 Ca -0.06 -2.25 -0.04 0.00 0.43 0.00 0.00 52.55 50.63 1lhw s ASP 162 Cb -0.20 -2.55 0.02 0.00 -0.30 0.00 0.00 42.92 39.89 1lhw s ASP 162 CO -0.06 -1.20 0.48 0.61 -0.17 0.00 0.00 175.17 174.83 1lhw n GLY 163 N 5.63 2.02 3.30 2.66 0.00 -1.26 -4.23 105.19 113.31 1lhw n GLY 163 Ca 0.43 -1.52 -0.28 0.00 0.00 0.00 0.00 46.02 44.65 1lhw n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lhw s LEU 165 N -1.14 2.06 0.21 0.00 2.96 0.95 -1.77 118.68 121.95 1lhw s LEU 165 Ca 0.10 -0.48 -0.15 0.00 -0.22 0.00 0.00 54.13 53.37 1lhw s LEU 165 Cb -0.09 -1.34 0.01 0.00 0.50 0.00 0.00 46.19 45.27 1lhw s LEU 165 CO 0.02 0.28 0.49 0.00 -1.32 0.00 0.00 176.35 175.82 1lhw s ARG 166 N -0.39 1.41 -1.55 1.98 1.70 -0.61 -0.20 118.95 121.30 1lhw s ARG 166 Ca 0.03 -1.01 -0.15 0.00 -0.47 0.00 0.00 55.73 54.14 1lhw s ARG 166 Cb -0.12 0.49 0.11 0.00 -0.57 0.00 0.00 34.95 34.87 1lhw s ARG 166 CO 0.01 -0.59 0.79 0.54 -1.08 0.00 0.00 175.30 174.97 1lhw n ARG 167 N -0.34 -4.03 -3.08 3.89 1.74 -1.26 -0.98 116.66 112.59 1lhw n ARG 167 Ca -0.07 0.48 -0.39 0.00 -0.77 0.00 0.00 57.85 57.09 1lhw n ARG 167 Cb 0.62 -5.26 -0.05 0.00 -1.02 0.00 0.00 32.46 26.75 1lhw n ARG 167 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1lhw s ASP 168 N -3.14 6.99 -0.10 0.55 3.84 -1.26 -4.14 116.67 119.41 1lhw s ASP 168 Ca 0.64 1.19 0.02 0.00 -0.00 0.00 0.00 52.55 54.39 1lhw s ASP 168 Cb -0.34 -2.40 0.01 0.00 -1.38 0.00 0.00 42.92 38.81 1lhw s ASP 168 CO 0.79 -0.07 -0.15 -0.55 -0.00 0.00 0.00 175.17 175.19 1lhw s SER 169 N 0.57 2.33 -0.25 2.11 0.15 0.37 -4.99 113.70 113.99 1lhw s SER 169 Ca 0.36 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.63 1lhw s SER 169 Cb -0.18 -1.05 0.06 0.00 -1.71 0.00 0.00 66.02 63.14 1lhw s SER 169 CO 0.18 0.03 -0.11 0.26 1.20 0.00 0.00 173.24 174.80 1lhw s TRP 170 N 0.88 3.05 0.00 3.44 0.52 -1.26 -1.57 118.94 124.00 1lhw s TRP 170 Ca -0.09 -2.15 0.00 0.00 0.02 0.00 0.00 56.10 53.88 1lhw s TRP 170 Cb -0.15 -1.86 0.00 0.00 -1.15 0.00 0.00 33.47 30.31 1lhw s TRP 170 CO 0.00 -0.85 0.00 1.28 0.02 0.00 0.00 176.95 177.40 1lhw n LEU 171 N 4.50 0.00 -4.20 2.99 4.77 -0.70 -4.42 117.00 119.94 1lhw n LEU 171 Ca -0.14 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.51 1lhw n LEU 171 Cb 0.43 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.36 1lhw n LEU 171 CO 0.21 0.00 -0.55 -1.81 -1.33 0.00 0.00 177.39 173.91 1lhw s ASP 172 N -4.00 3.15 0.54 -1.43 1.01 -1.26 -4.87 116.67 109.80 1lhw s ASP 172 Ca 0.00 -0.57 0.25 0.00 0.71 0.00 0.00 52.55 52.94 1lhw s ASP 172 Cb 0.00 -1.44 1.42 0.00 1.01 0.00 0.00 42.92 43.91 1lhw s ASP 172 CO 0.00 0.11 2.01 0.50 0.21 0.00 0.00 175.17 178.01 1lhw h LYS 173 N 7.06 0.00 -0.11 8.23 1.63 -1.97 0.10 116.57 131.51 1lhw h LYS 173 Ca -0.27 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.46 1lhw h LYS 173 Cb 1.21 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.83 1lhw h LYS 173 CO 0.52 0.00 -0.26 1.96 -3.45 0.00 0.00 179.45 178.22 1lhw h GLN 174 N 0.00 0.20 -0.00 1.90 4.20 -1.94 -2.31 115.11 117.16 1lhw h GLN 174 Ca 0.21 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1lhw h GLN 174 Cb 0.89 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.65 1lhw h GLN 174 CO -0.00 0.45 -0.19 0.00 -0.67 0.00 0.00 178.83 178.42 1lhw n ALA 175 N -2.48 2.90 -2.28 3.87 0.00 0.33 -4.86 120.51 117.99 1lhw n ALA 175 Ca -0.01 -0.28 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 1lhw n ALA 175 Cb 0.36 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 1lhw n ALA 175 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1lhw s GLU 176 N -2.64 4.24 -0.12 0.00 2.12 -0.87 -0.44 118.70 121.00 1lhw s GLU 176 Ca 0.23 1.86 -0.22 0.00 0.36 0.00 0.00 54.97 57.21 1lhw s GLU 176 Cb 0.19 -3.75 -0.26 0.00 0.26 0.00 0.00 34.13 30.57 1lhw s GLU 176 CO 0.53 -0.68 0.63 0.82 -0.54 0.00 0.00 175.26 176.02 1lhw h ILE 177 N 5.32 1.32 -2.54 -3.70 2.04 -0.32 -3.47 117.51 116.16 1lhw h ILE 177 Ca -0.33 -2.38 0.15 0.00 1.00 0.00 0.00 64.86 63.29 1lhw h ILE 177 Cb 1.15 2.91 -0.07 0.00 -0.74 0.00 0.00 36.82 40.07 1lhw h ILE 177 CO 0.94 0.61 0.41 -0.94 0.00 0.00 0.00 178.15 179.17 1lhw s SER 178 N -6.78 -0.20 -0.09 1.72 1.04 -1.11 -4.99 113.70 103.29 1lhw s SER 178 Ca -0.20 -0.48 -0.07 0.00 0.48 0.00 0.00 55.95 55.69 1lhw s SER 178 Cb 0.02 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.73 1lhw s SER 178 CO 0.73 -1.04 0.23 0.00 0.98 0.00 0.00 173.24 174.14 1lhw s ALA 179 N -3.45 -0.56 0.23 5.32 0.00 -1.26 -0.60 121.76 121.44 1lhw s ALA 179 Ca 0.12 0.75 0.06 0.00 0.00 0.00 0.00 51.96 52.89 1lhw s ALA 179 Cb -0.03 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 1lhw s ALA 179 CO 0.04 -0.13 -0.08 -1.12 0.00 0.00 0.00 175.76 174.46 1lhw s SER 180 N 0.47 2.40 -0.22 0.00 0.01 0.63 -4.98 113.70 112.01 1lhw s SER 180 Ca -0.03 -1.12 -0.06 0.00 1.31 0.00 0.00 55.95 56.05 1lhw s SER 180 Cb -0.04 -0.10 0.11 0.00 0.21 0.00 0.00 66.02 66.19 1lhw s SER 180 CO -0.02 -0.32 0.44 0.00 0.41 0.00 0.00 173.24 173.75 1lhw s ALA 181 N -3.12 -1.28 0.38 1.44 0.00 -1.26 -1.32 121.76 116.59 1lhw s ALA 181 Ca 0.26 1.51 0.12 0.00 0.00 0.00 0.00 51.96 53.84 1lhw s ALA 181 Cb 0.03 -1.46 0.91 0.00 0.00 0.00 0.00 23.12 22.59 1lhw s ALA 181 CO 0.08 -0.88 1.86 -1.35 0.00 0.00 0.00 175.76 175.48 1lhw h PRO 182 N 8.15 0.58 -4.39 0.00 0.11 -1.83 -3.44 132.00 131.18 1lhw h PRO 182 Ca -0.17 -0.03 -0.25 0.00 0.11 0.00 0.00 66.00 65.66 1lhw h PRO 182 Cb 1.12 -0.13 -0.12 0.00 0.11 0.00 0.00 31.00 31.97 1lhw h PRO 182 CO 0.15 0.38 -0.43 0.95 -0.21 0.00 0.00 178.00 178.84 1lhw s THR 183 N -5.60 0.00 0.40 -1.15 -4.23 -1.26 -5.13 115.64 98.66 1lhw s THR 183 Ca -0.09 -1.82 -0.26 0.00 -1.18 0.00 0.00 61.69 58.33 1lhw s THR 183 Cb 0.22 -2.46 -0.09 0.00 1.34 0.00 0.00 72.50 71.51 1lhw s THR 183 CO 0.79 0.00 1.32 -0.94 -0.54 0.00 0.00 174.62 175.24 1lhw s SER 184 N -3.18 6.35 -0.02 3.99 1.04 -1.26 -4.92 113.70 115.70 1lhw s SER 184 Ca 0.35 2.69 -0.30 0.00 0.48 0.00 0.00 55.95 59.16 1lhw s SER 184 Cb 0.04 -2.64 -0.06 0.00 0.10 0.00 0.00 66.02 63.46 1lhw s SER 184 CO 0.15 -0.83 1.51 -0.76 0.98 0.00 0.00 173.24 174.30 1lhw s LEU 185 N -2.35 4.31 -0.02 2.42 1.43 -1.26 -4.98 118.68 118.24 1lhw s LEU 185 Ca 0.56 2.18 -0.30 0.00 -1.03 0.00 0.00 54.13 55.54 1lhw s LEU 185 Cb -0.39 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 1lhw s LEU 185 CO 0.50 -0.82 0.99 -0.13 0.23 0.00 0.00 176.35 177.13 1lhw s ARG 186 N 3.04 4.53 0.19 1.70 0.52 -1.26 -4.96 118.95 122.70 1lhw s ARG 186 Ca 0.68 1.43 -0.28 0.00 -0.52 0.00 0.00 55.73 57.04 1lhw s ARG 186 Cb -0.33 -3.47 -0.08 0.00 0.52 0.00 0.00 34.95 31.59 1lhw s ARG 186 CO 0.27 -0.10 0.86 0.45 0.02 0.00 0.00 175.30 176.81 1lhw s SER 187 N 1.03 7.51 -0.06 0.23 0.15 -1.26 -0.25 113.70 121.04 1lhw s SER 187 Ca 0.52 1.78 0.06 0.00 0.70 0.00 0.00 55.95 59.01 1lhw s SER 187 Cb -0.21 -2.55 0.28 0.00 -1.71 0.00 0.00 66.02 61.83 1lhw s SER 187 CO 0.26 0.16 1.04 0.00 1.20 0.00 0.00 173.24 175.91