#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h2c s SER 15 N 0.00 -0.33 0.52 1.61 1.04 -0.03 -4.82 113.70 111.69 2h2c s SER 15 Ca 0.00 -0.02 -0.22 0.00 0.48 0.00 0.00 55.95 56.19 2h2c s SER 15 Cb 0.00 0.46 -0.06 0.00 0.10 0.00 0.00 66.02 66.53 2h2c s SER 15 CO 0.00 -0.74 1.31 -1.00 0.98 0.00 0.00 173.24 173.79 2h2c s HIS 16 N -2.84 2.43 0.40 5.02 0.09 -1.26 -0.60 115.29 118.53 2h2c s HIS 16 Ca -0.03 1.41 -0.26 0.00 -0.00 0.00 0.00 55.06 56.17 2h2c s HIS 16 Cb -0.00 -3.70 -0.09 0.00 -0.00 0.00 0.00 32.58 28.78 2h2c s HIS 16 CO -0.05 -2.57 1.36 -1.64 -0.00 0.00 0.00 174.74 171.84 2h2c s MET 17 N -2.84 3.96 0.16 1.40 1.00 -1.26 -4.47 119.30 117.25 2h2c s MET 17 Ca 0.69 2.30 0.03 0.00 0.00 0.00 0.00 55.69 58.71 2h2c s MET 17 Cb -0.38 -2.80 -0.05 0.00 0.00 0.00 0.00 34.83 31.61 2h2c s MET 17 CO 0.45 -0.55 -0.05 0.96 0.00 0.00 0.00 175.02 175.83 2h2c s ILE 18 N -1.21 0.94 -0.17 2.53 -4.36 -0.25 -4.99 121.20 113.69 2h2c s ILE 18 Ca 0.56 -2.01 -0.02 0.00 -0.26 0.00 0.00 60.65 58.92 2h2c s ILE 18 Cb -0.41 -1.98 0.05 0.00 1.25 0.00 0.00 42.46 41.37 2h2c s ILE 18 CO 0.54 -0.62 0.01 0.26 0.24 0.00 0.00 174.94 175.36 2h2c s TRP 19 N -3.48 1.17 -0.03 1.37 0.51 -1.26 -0.41 118.94 116.81 2h2c s TRP 19 Ca 0.20 -0.82 -0.30 0.00 -2.12 0.00 0.00 56.10 53.06 2h2c s TRP 19 Cb 0.04 -1.07 -0.02 0.00 -0.81 0.00 0.00 33.47 31.61 2h2c s TRP 19 CO 0.02 -0.57 0.98 -1.21 -0.51 0.00 0.00 176.95 175.67 2h2c s GLU 20 N 1.81 4.52 -0.11 4.98 2.02 -0.03 -4.65 118.70 127.24 2h2c s GLU 20 Ca 0.00 1.40 -0.20 0.00 0.02 0.00 0.00 54.97 56.20 2h2c s GLU 20 Cb -0.16 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.55 2h2c s GLU 20 CO -0.07 -0.12 0.55 -1.14 0.02 0.00 0.00 175.26 174.49 2h2c s GLN 21 N 1.30 4.36 -0.03 1.61 0.74 -1.26 -0.53 119.66 125.84 2h2c s GLN 21 Ca 0.51 0.58 0.03 0.00 0.05 0.00 0.00 55.36 56.53 2h2c s GLN 21 Cb -0.20 -3.45 0.00 0.00 1.10 0.00 0.00 33.01 30.46 2h2c s GLN 21 CO 0.25 0.10 -0.12 -1.01 -0.55 0.00 0.00 175.29 173.96 2h2c s HIS 22 N 0.78 1.20 -0.15 1.67 3.76 -0.25 -4.99 115.29 117.32 2h2c s HIS 22 Ca 0.29 -0.32 -0.02 0.00 -0.15 0.00 0.00 55.06 54.87 2h2c s HIS 22 Cb -0.16 -0.84 -0.02 0.00 1.11 0.00 0.00 32.58 32.68 2h2c s HIS 22 CO 0.13 -0.12 -0.09 0.99 -0.85 0.00 0.00 174.74 174.79 2h2c s THR 23 N 0.14 3.36 0.15 1.30 2.01 -1.26 -0.32 115.64 121.01 2h2c s THR 23 Ca -0.03 -0.55 0.06 0.00 0.31 0.00 0.00 61.69 61.48 2h2c s THR 23 Cb -0.09 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 2h2c s THR 23 CO 0.01 0.50 -0.12 0.68 -0.69 0.00 0.00 174.62 175.00 2h2c s VAL 24 N 0.48 1.32 -0.24 3.82 -7.23 -0.08 -4.99 120.40 113.47 2h2c s VAL 24 Ca -0.07 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.18 2h2c s VAL 24 Cb -0.15 -1.75 0.05 0.00 0.56 0.00 0.00 36.38 35.09 2h2c s VAL 24 CO 0.04 -0.59 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.22 2h2c s THR 25 N -2.80 2.19 0.12 5.32 2.01 -1.26 -0.63 115.64 120.60 2h2c s THR 25 Ca 0.14 -1.44 -0.09 0.00 0.31 0.00 0.00 61.69 60.61 2h2c s THR 25 Cb -0.01 -2.20 -0.06 0.00 0.01 0.00 0.00 72.50 70.24 2h2c s THR 25 CO 0.03 0.11 0.43 -0.76 -0.69 0.00 0.00 174.62 173.73 2h2c s LEU 26 N 1.16 4.31 -0.06 4.42 1.43 0.04 -4.89 118.68 125.08 2h2c s LEU 26 Ca -0.05 0.79 0.05 0.00 -1.03 0.00 0.00 54.13 53.89 2h2c s LEU 26 Cb -0.18 -3.16 -0.01 0.00 0.03 0.00 0.00 46.19 42.86 2h2c s LEU 26 CO -0.07 0.11 -0.23 -1.00 0.23 0.00 0.00 176.35 175.39 2h2c s HIS 27 N -1.51 2.49 0.33 0.29 3.76 -1.26 -0.65 115.29 118.75 2h2c s HIS 27 Ca 0.37 -0.68 -0.29 0.00 -0.15 0.00 0.00 55.06 54.31 2h2c s HIS 27 Cb -0.13 -1.62 -0.10 0.00 1.11 0.00 0.00 32.58 31.83 2h2c s HIS 27 CO 0.20 -0.19 1.34 1.03 -0.85 0.00 0.00 174.74 176.27 2h2c s ARG 28 N -0.16 4.32 0.02 1.40 0.52 -1.01 -4.69 118.95 119.35 2h2c s ARG 28 Ca -0.03 2.27 0.03 0.00 -0.52 0.00 0.00 55.73 57.48 2h2c s ARG 28 Cb -0.14 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.24 2h2c s ARG 28 CO 0.04 -0.25 -0.05 0.00 0.02 0.00 0.00 175.30 175.06 2h2c s ALA 29 N -1.07 3.10 0.04 2.13 0.00 -0.71 -4.98 121.76 120.26 2h2c s ALA 29 Ca 0.50 -1.04 -0.34 0.00 0.00 0.00 0.00 51.96 51.08 2h2c s ALA 29 Cb -0.41 -1.16 -0.13 0.00 0.00 0.00 0.00 23.12 21.42 2h2c s ALA 29 CO 0.54 0.63 1.72 -2.30 0.00 0.00 0.00 175.76 176.35 2h2c n PRO 30 N 1.32 2.14 -0.85 0.00 -0.02 -1.26 -1.97 135.00 134.37 2h2c n PRO 30 Ca -0.14 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2h2c n PRO 30 Cb 0.52 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 2h2c n PRO 30 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h2c n GLY 31 N 3.88 1.23 0.00 -1.23 0.00 -1.26 -4.79 105.19 103.02 2h2c n GLY 31 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2h2c n GLY 31 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2h2c n PHE 32 N -2.00 0.00 -4.71 1.61 3.72 -0.83 -5.10 117.46 110.14 2h2c n PHE 32 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2h2c n PHE 32 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2h2c n PHE 32 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2h2c n GLY 33 N 2.50 2.04 0.05 1.37 0.00 -0.91 -2.18 105.19 108.06 2h2c n GLY 33 Ca 0.00 -0.56 0.13 0.00 0.00 0.00 0.00 46.02 45.60 2h2c n GLY 33 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2h2c n PHE 34 N 11.70 0.48 -2.37 1.61 3.72 -1.26 -1.74 117.46 129.60 2h2c n PHE 34 Ca 0.00 0.14 -0.08 0.00 -0.05 0.00 0.00 57.45 57.47 2h2c n PHE 34 Cb 0.00 -0.72 0.01 0.00 -0.94 0.00 0.00 39.48 37.82 2h2c n PHE 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2h2c n GLY 35 N 1.40 0.19 3.16 1.37 0.00 -0.93 -3.74 105.19 106.64 2h2c n GLY 35 Ca 0.06 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.38 2h2c n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2h2c s ILE 36 N -2.59 1.09 -0.20 -0.61 -4.36 -1.26 -0.74 121.20 112.53 2h2c s ILE 36 Ca 0.06 -1.18 -0.06 0.00 -0.26 0.00 0.00 60.65 59.21 2h2c s ILE 36 Cb -0.03 -1.03 -0.03 0.00 1.25 0.00 0.00 42.46 42.62 2h2c s ILE 36 CO 0.08 -0.15 0.03 0.00 0.24 0.00 0.00 174.94 175.15 2h2c s ALA 37 N -1.12 3.20 -0.20 2.27 0.00 -0.46 -5.01 121.76 120.45 2h2c s ALA 37 Ca -0.01 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 50.97 2h2c s ALA 37 Cb -0.09 -1.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 2h2c s ALA 37 CO 0.02 -0.05 0.07 0.42 0.00 0.00 0.00 175.76 176.22 2h2c s ILE 38 N 0.81 4.72 0.23 0.00 -1.09 -1.26 -0.33 121.20 124.27 2h2c s ILE 38 Ca 0.02 -0.05 0.03 0.00 -2.23 0.00 0.00 60.65 58.42 2h2c s ILE 38 Cb -0.14 -3.15 -0.01 0.00 -1.58 0.00 0.00 42.46 37.58 2h2c s ILE 38 CO 0.02 0.42 0.12 -1.20 -1.23 0.00 0.00 174.94 173.07 2h2c n SER 39 N 3.90 0.59 -0.03 3.58 7.64 0.18 -4.90 113.62 124.57 2h2c n SER 39 Ca -0.16 -2.30 0.00 0.00 1.01 0.00 0.00 58.87 57.41 2h2c n SER 39 Cb 0.52 0.75 -0.00 0.00 -1.01 0.00 0.00 64.21 64.47 2h2c n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2h2c n GLY 40 N 0.17 -2.10 0.00 0.23 0.00 -1.24 -1.00 105.19 101.25 2h2c n GLY 40 Ca -0.01 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2h2c n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h2c n GLY 41 N -0.13 3.36 0.25 -0.02 0.00 -0.43 -4.22 105.19 104.00 2h2c n GLY 41 Ca 0.00 -1.86 0.13 0.00 0.00 0.00 0.00 46.02 44.29 2h2c n GLY 41 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2h2c h ARG 42 N 0.00 0.00 -0.51 1.61 0.11 -1.16 -1.45 114.38 112.98 2h2c h ARG 42 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2h2c h ARG 42 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2h2c h ARG 42 CO 0.00 0.14 0.00 -0.40 0.10 0.00 0.00 179.97 179.81 2h2c n ASP 43 N -3.49 5.18 -2.76 0.08 5.75 -1.26 -4.61 116.55 115.44 2h2c n ASP 43 Ca -0.01 -2.89 -0.09 0.00 -0.01 0.00 0.00 54.79 51.79 2h2c n ASP 43 Cb 0.30 -0.64 0.08 0.00 -1.03 0.00 0.00 41.12 39.83 2h2c n ASP 43 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2h2c n ASN 44 N 0.42 -2.26 -4.79 -1.12 5.15 -0.55 -4.93 115.26 107.18 2h2c n ASN 44 Ca 0.26 -3.60 -0.32 0.00 -0.60 0.00 0.00 54.58 50.32 2h2c n ASN 44 Cb 1.09 1.77 0.04 0.00 -0.53 0.00 0.00 39.78 42.14 2h2c n ASN 44 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2h2c s PRO 45 N 0.19 2.99 0.17 1.20 0.04 -1.22 -3.43 135.00 134.95 2h2c s PRO 45 Ca 0.25 1.22 -0.32 0.00 0.04 0.00 0.00 61.00 62.19 2h2c s PRO 45 Cb 0.28 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.73 2h2c s PRO 45 CO -0.08 -1.08 1.69 -1.58 0.04 0.00 0.00 177.00 175.99 2h2c s HIS 46 N -2.56 2.79 0.53 0.56 2.46 -0.05 -4.91 115.29 114.12 2h2c s HIS 46 Ca 0.63 0.36 0.20 0.00 0.47 0.00 0.00 55.06 56.73 2h2c s HIS 46 Cb -0.17 -4.07 1.36 0.00 -0.13 0.00 0.00 32.58 29.57 2h2c s HIS 46 CO 0.43 -4.12 2.11 0.74 -2.47 0.00 0.00 174.74 171.43 2h2c h PHE 47 N 7.21 0.00 0.10 3.88 0.04 -1.93 -0.42 116.94 125.82 2h2c h PHE 47 Ca -0.43 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 59.97 2h2c h PHE 47 Cb 1.20 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.33 2h2c h PHE 47 CO 0.68 0.00 -2.11 0.94 -0.60 0.00 0.00 178.31 177.22 2h2c n GLN 48 N -4.41 0.74 -0.05 1.51 7.27 -1.26 -4.63 117.38 116.56 2h2c n GLN 48 Ca 0.01 0.24 0.02 0.00 0.07 0.00 0.00 57.00 57.34 2h2c n GLN 48 Cb 0.24 -1.67 -0.16 0.00 2.41 0.00 0.00 30.24 31.06 2h2c n GLN 48 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2h2c n SER 49 N -3.44 0.07 0.00 1.69 3.41 -1.20 -4.97 113.62 109.17 2h2c n SER 49 Ca -0.35 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 2h2c n SER 49 Cb 1.03 1.58 0.00 0.00 -0.26 0.00 0.00 64.21 66.57 2h2c n SER 49 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2h2c n GLY 50 N 1.48 1.36 3.68 5.00 0.00 -0.17 -5.00 105.19 111.54 2h2c n GLY 50 Ca -0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.41 2h2c n GLY 50 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2h2c n GLU 51 N -2.00 2.37 0.00 1.61 4.07 -1.26 -4.46 120.64 120.97 2h2c n GLU 51 Ca 0.00 0.86 0.11 0.00 -0.06 0.00 0.00 57.16 58.07 2h2c n GLU 51 Cb 0.00 -2.68 0.07 0.00 -0.06 0.00 0.00 31.44 28.77 2h2c n GLU 51 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2h2c n THR 52 N 3.99 0.00 -1.65 6.31 -2.24 -1.26 -0.87 114.28 118.56 2h2c n THR 52 Ca 0.18 -0.45 -0.39 0.00 -2.27 0.00 0.00 64.05 61.12 2h2c n THR 52 Cb 0.31 1.41 0.03 0.00 -2.10 0.00 0.00 70.33 69.99 2h2c n THR 52 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2h2c n SER 53 N 0.94 1.46 -4.74 3.42 7.64 -1.26 -1.31 113.62 119.77 2h2c n SER 53 Ca 0.12 0.94 -0.41 0.00 1.01 0.00 0.00 58.87 60.53 2h2c n SER 53 Cb 0.53 -1.42 -0.02 0.00 -1.01 0.00 0.00 64.21 62.28 2h2c n SER 53 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2h2c s ILE 54 N -1.37 2.71 -0.02 0.44 -1.09 -1.26 -2.90 121.20 117.71 2h2c s ILE 54 Ca 0.69 0.58 0.02 0.00 -2.23 0.00 0.00 60.65 59.71 2h2c s ILE 54 Cb -0.47 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.04 2h2c s ILE 54 CO 0.52 0.08 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.56 2h2c s VAL 55 N 0.18 0.59 -0.59 2.92 1.01 -0.17 -1.09 120.40 123.25 2h2c s VAL 55 Ca 0.61 -0.27 -0.27 0.00 0.00 0.00 0.00 61.98 62.04 2h2c s VAL 55 Cb -0.42 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.45 2h2c s VAL 55 CO 0.41 0.19 1.48 -0.63 0.00 0.00 0.00 175.10 176.55 2h2c s ILE 56 N 0.12 3.69 -0.59 2.22 -1.09 0.28 -0.65 121.20 125.18 2h2c s ILE 56 Ca -0.01 0.54 0.23 0.00 -2.23 0.00 0.00 60.65 59.18 2h2c s ILE 56 Cb -0.06 -4.40 -0.07 0.00 -1.58 0.00 0.00 42.46 36.34 2h2c s ILE 56 CO -0.00 -1.21 1.09 -1.54 -1.23 0.00 0.00 174.94 172.05 2h2c n SER 57 N 10.11 0.63 -3.43 3.58 3.41 0.55 -0.01 113.62 128.46 2h2c n SER 57 Ca 0.13 -0.09 -0.12 0.00 -0.26 0.00 0.00 58.87 58.52 2h2c n SER 57 Cb 0.50 0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 65.06 2h2c n SER 57 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2h2c s ASP 58 N -4.09 -0.56 -0.03 4.04 -1.08 -1.24 -4.67 116.67 109.04 2h2c s ASP 58 Ca 0.04 0.06 0.01 0.00 -0.52 0.00 0.00 52.55 52.14 2h2c s ASP 58 Cb 0.14 0.58 0.02 0.00 -1.46 0.00 0.00 42.92 42.20 2h2c s ASP 58 CO 0.78 -0.92 -0.03 -0.69 0.52 0.00 0.00 175.17 174.83 2h2c s VAL 59 N -3.50 0.39 0.08 1.11 1.01 -1.26 -1.35 120.40 116.88 2h2c s VAL 59 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.61 2h2c s VAL 59 Cb -0.01 -0.43 -0.07 0.00 0.00 0.00 0.00 36.38 35.87 2h2c s VAL 59 CO -0.11 0.18 1.34 -0.76 0.00 0.00 0.00 175.10 175.75 2h2c s LEU 60 N 0.78 4.36 -0.16 3.92 1.43 0.08 -4.93 118.68 124.16 2h2c s LEU 60 Ca -0.09 2.20 -0.36 0.00 -1.03 0.00 0.00 54.13 54.85 2h2c s LEU 60 Cb -0.12 -3.58 -0.13 0.00 0.03 0.00 0.00 46.19 42.39 2h2c s LEU 60 CO -0.00 -0.61 1.87 0.29 0.23 0.00 0.00 176.35 178.12 2h2c n LYS 61 N 4.20 1.83 -2.14 1.70 4.01 -1.26 -1.91 118.16 124.58 2h2c n LYS 61 Ca 0.11 0.66 -0.20 0.00 -0.51 0.00 0.00 58.31 58.38 2h2c n LYS 61 Cb 0.44 -2.49 -0.03 0.00 -0.51 0.00 0.00 35.03 32.43 2h2c n LYS 61 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2h2c n GLY 62 N 4.50 0.23 3.52 0.72 0.00 -1.26 -5.01 105.19 107.89 2h2c n GLY 62 Ca 0.25 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 2h2c n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h2c n GLY 63 N -0.89 0.88 0.51 -0.02 0.00 -0.80 -4.95 105.19 99.92 2h2c n GLY 63 Ca -0.22 -2.06 0.35 0.00 0.00 0.00 0.00 46.02 44.09 2h2c n GLY 63 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2h2c h PRO 64 N 0.00 0.12 -0.00 1.61 0.11 -1.84 -1.57 132.00 130.43 2h2c h PRO 64 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2h2c h PRO 64 Cb 1.11 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2h2c h PRO 64 CO 0.33 0.08 -0.54 0.00 -0.21 0.00 0.00 178.00 177.66 2h2c n ALA 65 N -2.65 3.64 -1.64 -0.75 0.00 -1.24 -4.79 120.51 113.08 2h2c n ALA 65 Ca 0.31 -0.37 -0.53 0.00 0.00 0.00 0.00 53.44 52.86 2h2c n ALA 65 Cb 1.31 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.61 2h2c n ALA 65 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2h2c n GLU 66 N -1.49 1.36 -0.94 0.00 4.07 -0.59 -0.26 120.64 122.78 2h2c n GLU 66 Ca 0.05 0.49 0.00 0.00 -0.06 0.00 0.00 57.16 57.65 2h2c n GLU 66 Cb 0.33 -2.18 0.00 0.00 -0.06 0.00 0.00 31.44 29.54 2h2c n GLU 66 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2h2c n GLY 67 N 3.27 0.83 0.62 8.31 0.00 -1.26 -4.79 105.19 112.18 2h2c n GLY 67 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.20 2h2c n GLY 67 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2h2c n GLN 68 N -2.05 0.06 -4.34 1.61 6.02 0.65 -5.06 117.38 114.26 2h2c n GLN 68 Ca 0.00 0.02 -0.26 0.00 -0.01 0.00 0.00 57.00 56.75 2h2c n GLN 68 Cb 0.01 -0.75 -0.10 0.00 1.02 0.00 0.00 30.24 30.42 2h2c n GLN 68 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2h2c s LEU 69 N -5.82 2.84 0.06 1.08 1.43 -0.48 -5.01 118.68 112.77 2h2c s LEU 69 Ca -0.04 -0.70 0.04 0.00 -1.03 0.00 0.00 54.13 52.40 2h2c s LEU 69 Cb 0.01 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 2h2c s LEU 69 CO 0.05 0.09 -0.11 -1.10 0.23 0.00 0.00 176.35 175.51 2h2c s GLN 70 N -2.98 0.69 0.16 1.70 -0.21 -1.26 -4.77 119.66 112.99 2h2c s GLN 70 Ca 0.25 -0.89 -0.33 0.00 0.02 0.00 0.00 55.36 54.41 2h2c s GLN 70 Cb -0.08 -0.55 -0.16 0.00 1.00 0.00 0.00 33.01 33.22 2h2c s GLN 70 CO 0.15 0.11 1.10 -1.91 -2.12 0.00 0.00 175.29 172.62 2h2c n GLU 71 N 1.28 0.97 -0.34 2.91 2.13 -1.26 -1.82 120.64 124.50 2h2c n GLU 71 Ca -0.21 0.35 0.00 0.00 0.66 0.00 0.00 57.16 57.95 2h2c n GLU 71 Cb 0.55 -1.80 0.00 0.00 0.27 0.00 0.00 31.44 30.45 2h2c n GLU 71 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2h2c n ASN 72 N 1.95 0.00 -4.68 4.31 3.02 0.99 -5.01 115.26 115.84 2h2c n ASN 72 Ca 0.16 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 54.26 2h2c n ASN 72 Cb 0.23 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 2h2c n ASN 72 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2h2c n ASP 73 N 0.00 3.19 -4.72 6.41 8.00 -0.76 -4.76 116.55 123.91 2h2c n ASP 73 Ca 0.00 1.10 -0.38 0.00 0.71 0.00 0.00 54.79 56.22 2h2c n ASP 73 Cb 0.00 -1.46 -0.06 0.00 -0.02 0.00 0.00 41.12 39.58 2h2c n ASP 73 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2h2c s ARG 74 N 0.51 4.33 -0.25 -1.24 0.52 -0.07 -0.56 118.95 122.19 2h2c s ARG 74 Ca 0.75 0.42 -0.23 0.00 -0.52 0.00 0.00 55.73 56.14 2h2c s ARG 74 Cb -0.64 -3.43 -0.01 0.00 0.52 0.00 0.00 34.95 31.39 2h2c s ARG 74 CO 0.41 0.17 0.75 0.08 0.02 0.00 0.00 175.30 176.73 2h2c s VAL 75 N 0.60 4.89 -0.19 3.52 1.01 -0.25 -0.45 120.40 129.53 2h2c s VAL 75 Ca 0.25 1.40 0.08 0.00 0.00 0.00 0.00 61.98 63.71 2h2c s VAL 75 Cb -0.15 -4.05 -0.22 0.00 0.00 0.00 0.00 36.38 31.96 2h2c s VAL 75 CO 0.10 -0.04 0.08 0.00 0.00 0.00 0.00 175.10 175.23 2h2c n ALA 76 N 5.90 1.40 -3.46 5.51 0.00 0.22 -4.51 120.51 125.56 2h2c n ALA 76 Ca 0.03 -1.08 -0.14 0.00 0.00 0.00 0.00 53.44 52.25 2h2c n ALA 76 Cb 0.48 -0.30 -0.08 0.00 0.00 0.00 0.00 19.45 19.54 2h2c n ALA 76 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2h2c s MET 77 N -2.52 0.69 -0.15 0.00 1.75 -1.07 -0.24 119.30 117.76 2h2c s MET 77 Ca -0.20 0.72 -0.00 0.00 -1.25 0.00 0.00 55.69 54.96 2h2c s MET 77 Cb 0.07 0.33 0.03 0.00 2.84 0.00 0.00 34.83 38.11 2h2c s MET 77 CO 0.74 -0.10 -0.09 0.08 -0.65 0.00 0.00 175.02 175.00 2h2c s VAL 78 N 0.15 1.28 -1.43 10.11 1.01 -0.17 -1.20 120.40 130.15 2h2c s VAL 78 Ca -0.01 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 2h2c s VAL 78 Cb -0.04 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 35.03 2h2c s VAL 78 CO 0.01 0.28 0.51 0.59 0.00 0.00 0.00 175.10 176.49 2h2c n ASN 79 N 4.84 -0.86 0.00 3.32 3.02 0.95 -0.85 115.26 125.69 2h2c n ASN 79 Ca -0.14 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 2h2c n ASN 79 Cb 0.49 -3.18 0.00 0.00 -0.61 0.00 0.00 39.78 36.48 2h2c n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2h2c n GLY 80 N -1.87 0.93 3.53 7.41 0.00 -1.26 -5.00 105.19 108.92 2h2c n GLY 80 Ca -0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 2h2c n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h2c s VAL 81 N -3.79 4.83 0.39 1.61 1.01 -0.02 -5.08 120.40 119.35 2h2c s VAL 81 Ca 0.00 0.01 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 2h2c s VAL 81 Cb 0.00 -3.28 -0.10 0.00 0.00 0.00 0.00 36.38 33.00 2h2c s VAL 81 CO 0.00 0.30 1.48 -0.55 0.00 0.00 0.00 175.10 176.33 2h2c s SER 82 N 1.64 6.23 0.00 3.32 0.15 -1.26 -1.00 113.70 122.78 2h2c s SER 82 Ca 0.07 3.03 0.22 0.00 0.70 0.00 0.00 55.95 59.97 2h2c s SER 82 Cb -0.15 -2.67 0.56 0.00 -1.71 0.00 0.00 66.02 62.05 2h2c s SER 82 CO 0.07 -0.95 1.48 0.23 1.20 0.00 0.00 173.24 175.27 2h2c n MET 83 N 0.30 2.65 -1.61 5.44 2.81 0.67 -4.87 117.12 122.51 2h2c n MET 83 Ca 0.02 -2.51 -0.43 0.00 -1.81 0.00 0.00 57.70 52.97 2h2c n MET 83 Cb 0.40 -1.53 -0.03 0.00 -0.71 0.00 0.00 33.22 31.34 2h2c n MET 83 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2h2c n ASP 84 N 1.53 3.50 -3.37 7.83 2.03 -1.26 -2.65 116.55 124.16 2h2c n ASP 84 Ca 0.22 0.46 -0.24 0.00 0.52 0.00 0.00 54.79 55.74 2h2c n ASP 84 Cb 0.60 -1.53 0.03 0.00 -0.72 0.00 0.00 41.12 39.50 2h2c n ASP 84 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2h2c n ASN 85 N 10.13 -5.14 -4.94 1.67 4.05 -1.26 -4.99 115.26 114.79 2h2c n ASN 85 Ca 0.27 -0.44 -0.25 0.00 0.45 0.00 0.00 54.58 54.61 2h2c n ASN 85 Cb 0.42 -4.15 0.00 0.00 1.23 0.00 0.00 39.78 37.28 2h2c n ASN 85 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 2h2c s VAL 86 N -3.14 4.63 0.64 3.44 -7.23 -1.08 -4.71 120.40 112.95 2h2c s VAL 86 Ca 0.44 -0.29 -0.11 0.00 -1.81 0.00 0.00 61.98 60.20 2h2c s VAL 86 Cb -0.21 -3.72 -0.03 0.00 0.56 0.00 0.00 36.38 32.98 2h2c s VAL 86 CO 0.54 -0.55 1.04 -1.61 -0.31 0.00 0.00 175.10 174.20 2h2c s GLU 87 N -4.53 3.39 0.14 4.82 2.02 -1.26 -1.14 118.70 122.13 2h2c s GLU 87 Ca 0.45 0.83 -0.20 0.00 0.02 0.00 0.00 54.97 56.07 2h2c s GLU 87 Cb -0.10 -2.05 -0.00 0.00 0.10 0.00 0.00 34.13 32.07 2h2c s GLU 87 CO 0.39 -0.73 1.69 1.25 0.02 0.00 0.00 175.26 177.88 2h2c h HIS 88 N -0.39 -0.18 -0.18 1.61 -0.00 -1.88 -2.51 115.15 111.63 2h2c h HIS 88 Ca -0.44 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 59.93 2h2c h HIS 88 Cb 1.20 0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 28.71 2h2c h HIS 88 CO 0.64 -0.13 0.01 0.00 -0.00 0.00 0.00 177.93 178.46 2h2c h ALA 89 N 1.17 1.70 -0.25 5.26 0.00 -1.94 -1.65 119.26 123.55 2h2c h ALA 89 Ca 0.11 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2h2c h ALA 89 Cb 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2h2c h ALA 89 CO -0.25 0.23 -0.14 0.35 0.00 0.00 0.00 179.25 179.44 2h2c h PHE 90 N 0.25 0.62 -0.28 0.00 3.57 -1.84 0.10 116.94 119.36 2h2c h PHE 90 Ca 0.06 -0.16 0.01 0.00 3.53 0.00 0.00 57.97 61.41 2h2c h PHE 90 Cb 0.16 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2h2c h PHE 90 CO 0.00 0.81 0.16 0.00 -2.23 0.00 0.00 178.31 177.05 2h2c h ALA 91 N 0.72 0.34 -0.46 2.41 0.00 -1.24 -1.20 119.26 119.83 2h2c h ALA 91 Ca 0.05 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2h2c h ALA 91 Cb 0.66 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2h2c h ALA 91 CO 0.04 -0.22 0.24 0.28 0.00 0.00 0.00 179.25 179.59 2h2c h VAL 92 N 0.33 0.97 -0.43 0.00 2.07 -1.23 -2.24 116.25 115.73 2h2c h VAL 92 Ca 0.11 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 2h2c h VAL 92 Cb -0.00 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 2h2c h VAL 92 CO -0.05 0.09 -0.10 -0.61 0.02 0.00 0.00 177.57 176.92 2h2c h GLN 93 N 0.47 0.75 -0.67 1.57 5.75 -0.64 0.13 115.11 122.47 2h2c h GLN 93 Ca 0.20 -0.24 -0.08 0.00 -0.15 0.00 0.00 58.65 58.38 2h2c h GLN 93 Cb 0.10 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 2h2c h GLN 93 CO -0.13 0.83 0.11 1.96 -2.65 0.00 0.00 178.83 178.94 2h2c h GLN 94 N 0.68 1.12 0.09 1.69 1.08 -0.95 -1.51 115.11 117.32 2h2c h GLN 94 Ca 0.12 -0.30 -0.00 0.00 -1.45 0.00 0.00 58.65 57.01 2h2c h GLN 94 Cb 0.56 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2h2c h GLN 94 CO 0.03 1.02 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.82 2h2c h LEU 95 N 1.04 -0.10 -1.40 1.46 3.38 -1.22 -3.30 115.31 115.18 2h2c h LEU 95 Ca 0.20 -0.41 0.14 0.00 0.09 0.00 0.00 57.88 57.91 2h2c h LEU 95 Cb 0.45 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 2h2c h LEU 95 CO 0.01 0.38 0.54 -0.09 0.09 0.00 0.00 178.44 179.38 2h2c h ARG 96 N -0.62 0.58 -0.00 1.13 2.43 -0.68 -1.56 114.38 115.66 2h2c h ARG 96 Ca -0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2h2c h ARG 96 Cb 0.50 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2h2c h ARG 96 CO 0.02 0.39 -0.03 0.36 -1.51 0.00 0.00 179.97 179.20 2h2c n LYS 97 N -4.53 0.33 -1.92 0.20 2.85 -0.57 -4.86 118.16 109.66 2h2c n LYS 97 Ca 0.16 -0.02 -0.37 0.00 -1.05 0.00 0.00 58.31 57.02 2h2c n LYS 97 Cb 0.47 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 33.39 2h2c n LYS 97 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2h2c s SER 98 N -2.68 5.28 0.00 -5.58 0.01 -0.59 -5.05 113.70 105.09 2h2c s SER 98 Ca 0.24 2.56 0.00 0.00 1.31 0.00 0.00 55.95 60.06 2h2c s SER 98 Cb 0.20 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2h2c s SER 98 CO 0.49 -1.54 0.00 0.61 0.41 0.00 0.00 173.24 173.20 2h2c n GLY 99 N 0.64 0.87 0.32 3.44 0.00 -1.26 -4.89 105.19 104.32 2h2c n GLY 99 Ca 0.12 -0.25 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 2h2c n GLY 99 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2h2c h LYS 100 N 0.00 1.12 -6.10 1.61 1.63 -1.96 -3.44 116.57 109.43 2h2c h LYS 100 Ca 0.00 -0.12 -0.67 0.00 -0.85 0.00 0.00 60.65 59.01 2h2c h LYS 100 Cb 0.00 -0.22 -0.13 0.00 -0.60 0.00 0.00 32.23 31.27 2h2c h LYS 100 CO 0.00 0.81 -0.63 -0.80 -3.45 0.00 0.00 179.45 175.39 2h2c s ASN 101 N -6.10 5.24 -0.18 4.20 0.01 -1.26 -2.40 114.94 114.45 2h2c s ASN 101 Ca -0.13 0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.07 2h2c s ASN 101 Cb 0.16 -1.41 0.04 0.00 0.41 0.00 0.00 41.25 40.44 2h2c s ASN 101 CO 0.81 0.30 -0.09 0.00 -1.51 0.00 0.00 177.10 176.61 2h2c s ALA 102 N -1.07 1.76 -0.17 0.60 0.00 0.18 -4.84 121.76 118.22 2h2c s ALA 102 Ca 0.19 -1.00 -0.27 0.00 0.00 0.00 0.00 51.96 50.88 2h2c s ALA 102 Cb -0.12 -1.18 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 2h2c s ALA 102 CO 0.09 -0.73 0.92 0.21 0.00 0.00 0.00 175.76 176.25 2h2c s LYS 103 N 1.51 4.31 -0.05 0.00 2.20 -1.26 -0.78 119.74 125.67 2h2c s LYS 103 Ca 0.01 1.18 0.01 0.00 -0.36 0.00 0.00 55.97 56.81 2h2c s LYS 103 Cb -0.15 -3.59 0.02 0.00 -1.51 0.00 0.00 37.83 32.60 2h2c s LYS 103 CO -0.08 -0.41 -0.07 0.42 -0.36 0.00 0.00 175.35 174.85 2h2c s ILE 104 N 2.40 0.71 -0.15 5.43 1.01 0.20 -0.04 121.20 130.76 2h2c s ILE 104 Ca 0.42 -0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.81 2h2c s ILE 104 Cb -0.17 -0.71 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 2h2c s ILE 104 CO 0.12 0.26 -0.05 -0.89 0.00 0.00 0.00 174.94 174.38 2h2c s THR 105 N 0.85 3.77 0.25 2.92 2.01 -0.34 -0.91 115.64 124.20 2h2c s THR 105 Ca -0.12 -0.40 0.08 0.00 0.31 0.00 0.00 61.69 61.56 2h2c s THR 105 Cb -0.15 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.66 2h2c s THR 105 CO 0.01 0.50 -0.11 0.27 -0.69 0.00 0.00 174.62 174.59 2h2c s ILE 106 N 0.37 1.82 -0.13 1.82 -5.25 0.57 -0.61 121.20 119.78 2h2c s ILE 106 Ca -0.05 -2.20 0.02 0.00 -0.99 0.00 0.00 60.65 57.43 2h2c s ILE 106 Cb -0.14 -2.28 0.00 0.00 2.95 0.00 0.00 42.46 42.99 2h2c s ILE 106 CO 0.03 -0.43 -0.20 -0.13 -1.79 0.00 0.00 174.94 172.42 2h2c s ARG 107 N -3.66 3.10 -0.23 0.37 0.52 0.40 -1.09 118.95 118.35 2h2c s ARG 107 Ca 0.27 -0.82 -0.03 0.00 -0.52 0.00 0.00 55.73 54.63 2h2c s ARG 107 Cb 0.01 -2.46 0.01 0.00 0.52 0.00 0.00 34.95 33.02 2h2c s ARG 107 CO 0.10 0.05 -0.06 0.50 0.02 0.00 0.00 175.30 175.91 2h2c s ARG 108 N 0.69 3.16 0.32 3.54 3.52 0.31 -0.89 118.95 129.59 2h2c s ARG 108 Ca -0.09 -0.76 -0.29 0.00 -0.13 0.00 0.00 55.73 54.46 2h2c s ARG 108 Cb -0.16 -2.97 -0.10 0.00 -1.56 0.00 0.00 34.95 30.16 2h2c s ARG 108 CO 0.01 -0.27 1.21 -1.59 -0.81 0.00 0.00 175.30 173.85 2h2c s LYS 109 N 1.41 4.45 -0.01 5.12 -2.85 -1.26 -0.85 119.74 125.75 2h2c s LYS 109 Ca 0.04 2.01 0.02 0.00 -1.00 0.00 0.00 55.97 57.04 2h2c s LYS 109 Cb -0.15 -3.08 -0.00 0.00 -2.06 0.00 0.00 37.83 32.54 2h2c s LYS 109 CO -0.05 -0.03 -0.08 0.15 0.10 0.00 0.00 175.35 175.45 2h2c s LYS 110 N -1.70 0.72 0.00 1.78 -0.14 0.46 -4.92 119.74 115.94 2h2c s LYS 110 Ca 0.48 -0.26 0.00 0.00 -1.36 0.00 0.00 55.97 54.83 2h2c s LYS 110 Cb -0.36 -0.69 0.00 0.00 -1.68 0.00 0.00 37.83 35.10 2h2c s LYS 110 CO 0.47 0.13 0.00 0.41 -0.76 0.00 0.00 175.35 175.59 2h2c n GLY 111 N 3.11 -1.07 0.00 -3.33 0.00 -1.26 -1.09 105.19 101.56 2h2c n GLY 111 Ca -0.16 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.73 2h2c n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h2c n GLY 112 N 0.00 0.63 7.00 -0.02 0.00 0.23 -4.87 105.19 108.16 2h2c n GLY 112 Ca 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.81 2h2c n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h2c n GLY 113 N 0.00 0.18 3.06 -0.02 0.00 -1.26 -0.85 105.19 106.30 2h2c n GLY 113 Ca 0.00 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.97 2h2c n GLY 113 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2h2c s TRP 114 N 0.00 0.38 0.16 1.61 0.51 -1.26 -4.84 118.94 115.50 2h2c s TRP 114 Ca 0.00 -0.80 -0.13 0.00 -2.12 0.00 0.00 56.10 53.05 2h2c s TRP 114 Cb 0.00 -0.28 0.05 0.00 -0.81 0.00 0.00 33.47 32.43 2h2c s TRP 114 CO 0.00 -0.32 1.71 -0.09 -0.51 0.00 0.00 176.95 177.74 2h2c h ARG 115 N 3.69 0.83 -6.04 4.98 2.43 -1.92 -2.27 114.38 116.09 2h2c h ARG 115 Ca -0.33 -0.16 -0.65 0.00 -0.81 0.00 0.00 59.98 58.03 2h2c h ARG 115 Cb 1.17 -0.13 -0.31 0.00 -0.42 0.00 0.00 29.97 30.28 2h2c h ARG 115 CO 0.55 0.74 -0.87 1.03 -1.51 0.00 0.00 179.97 179.91 2h2c s ARG 116 N -5.51 2.09 -0.03 0.20 0.52 -1.26 -4.67 118.95 110.30 2h2c s ARG 116 Ca -0.13 -0.82 -0.01 0.00 -0.52 0.00 0.00 55.73 54.25 2h2c s ARG 116 Cb 0.12 -1.89 0.02 0.00 0.52 0.00 0.00 34.95 33.72 2h2c s ARG 116 CO 0.79 0.42 0.06 0.99 0.02 0.00 0.00 175.30 177.58 2h2c s THR 117 N -0.32 -0.04 -0.05 0.02 2.01 -1.26 -5.07 115.64 110.93 2h2c s THR 117 Ca 0.03 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.17 2h2c s THR 117 Cb -0.11 -0.12 0.02 0.00 0.01 0.00 0.00 72.50 72.31 2h2c s THR 117 CO 0.01 0.05 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.07 2h2c s THR 118 N 0.73 0.52 0.10 -0.82 2.01 -1.26 -5.13 115.64 111.79 2h2c s THR 118 Ca -0.06 -0.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.55 2h2c s THR 118 Cb -0.08 -0.57 -0.06 0.00 0.01 0.00 0.00 72.50 71.81 2h2c s THR 118 CO -0.03 0.23 0.99 0.26 -0.69 0.00 0.00 174.62 175.38 2h2c s TRP 119 N 1.08 3.76 0.00 4.92 0.52 -1.26 -5.35 118.94 122.61 2h2c s TRP 119 Ca -0.09 1.75 0.00 0.00 0.02 0.00 0.00 56.10 57.79 2h2c s TRP 119 Cb -0.14 -3.10 0.00 0.00 -1.15 0.00 0.00 33.47 29.08 2h2c s TRP 119 CO -0.01 0.05 0.31 1.33 0.02 0.00 0.00 176.95 178.65