#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pye n SER 2 N 0.00 -0.35 -4.14 1.61 2.88 -1.25 -4.78 113.62 107.58 2pye n SER 2 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 2pye n SER 2 Cb 0.00 -0.17 -0.10 0.00 -0.75 0.00 0.00 64.21 63.19 2pye n SER 2 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2pye s HIS 3 N -0.00 1.20 0.14 0.66 4.02 -0.43 -4.96 115.29 115.92 2pye s HIS 3 Ca 0.00 -1.40 -0.24 0.00 1.02 0.00 0.00 55.06 54.45 2pye s HIS 3 Cb 0.00 -0.57 0.07 0.00 -1.02 0.00 0.00 32.58 31.06 2pye s HIS 3 CO 0.00 -0.66 0.61 -1.54 1.02 0.00 0.00 174.74 174.17 2pye s SER 4 N -3.17 -0.57 -0.05 1.40 1.04 -1.26 -0.40 113.70 110.68 2pye s SER 4 Ca 0.39 0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.91 2pye s SER 4 Cb 0.07 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.78 2pye s SER 4 CO 0.13 -0.93 -0.13 -0.32 0.98 0.00 0.00 173.24 172.97 2pye s MET 5 N -3.51 1.56 0.00 4.02 -2.45 -0.59 -0.98 119.30 117.34 2pye s MET 5 Ca 0.00 -0.45 0.00 0.00 -1.25 0.00 0.00 55.69 53.99 2pye s MET 5 Cb -0.01 -1.34 -0.00 0.00 1.25 0.00 0.00 34.83 34.73 2pye s MET 5 CO -0.11 0.12 -0.01 1.03 1.05 0.00 0.00 175.02 177.11 2pye s ARG 6 N 0.34 0.05 -0.08 4.11 1.81 -0.57 -1.22 118.95 123.39 2pye s ARG 6 Ca -0.08 -0.06 0.05 0.00 -1.72 0.00 0.00 55.73 53.91 2pye s ARG 6 Cb -0.13 -0.02 -0.01 0.00 -0.45 0.00 0.00 34.95 34.35 2pye s ARG 6 CO 0.02 0.00 -0.24 0.71 -0.68 0.00 0.00 175.30 175.12 2pye s TYR 7 N -0.13 2.50 -0.11 -0.53 1.51 -0.51 -0.96 117.35 119.12 2pye s TYR 7 Ca -0.01 -0.83 0.03 0.00 -1.01 0.00 0.00 57.07 55.24 2pye s TYR 7 Cb -0.01 -1.65 0.01 0.00 -0.11 0.00 0.00 41.96 40.20 2pye s TYR 7 CO -0.00 -0.29 -0.21 -0.06 -1.11 0.00 0.00 175.55 173.89 2pye s PHE 8 N 0.04 2.39 -0.04 2.71 0.40 -0.64 -2.52 117.98 120.32 2pye s PHE 8 Ca -0.09 -1.08 0.06 0.00 -0.60 0.00 0.00 56.93 55.22 2pye s PHE 8 Cb -0.15 -1.64 -0.01 0.00 0.51 0.00 0.00 43.02 41.73 2pye s PHE 8 CO 0.06 -0.48 -0.23 -0.06 0.70 0.00 0.00 175.22 175.21 2pye s PHE 9 N 0.64 2.13 -0.09 0.36 0.40 -0.07 -2.17 117.98 119.17 2pye s PHE 9 Ca -0.12 -0.53 -0.03 0.00 -0.60 0.00 0.00 56.93 55.65 2pye s PHE 9 Cb -0.16 -1.39 0.04 0.00 0.51 0.00 0.00 43.02 42.02 2pye s PHE 9 CO 0.03 -0.13 0.05 0.99 0.70 0.00 0.00 175.22 176.87 2pye s THR 10 N -0.29 0.06 -0.10 0.64 2.01 -0.59 -1.93 115.64 115.44 2pye s THR 10 Ca 0.02 0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.17 2pye s THR 10 Cb -0.11 -0.42 -0.01 0.00 0.01 0.00 0.00 72.50 71.96 2pye s THR 10 CO 0.01 0.04 -0.18 -0.55 -0.69 0.00 0.00 174.62 173.26 2pye s SER 11 N 2.09 3.61 -0.07 3.53 0.15 -0.03 -1.55 113.70 121.43 2pye s SER 11 Ca 0.04 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.30 2pye s SER 11 Cb -0.14 -1.33 0.02 0.00 -1.71 0.00 0.00 66.02 62.86 2pye s SER 11 CO -0.05 0.20 -0.09 -0.69 1.20 0.00 0.00 173.24 173.80 2pye s VAL 12 N 0.12 0.95 0.50 4.45 1.01 -0.58 -1.10 120.40 125.75 2pye s VAL 12 Ca -0.09 -0.35 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 2pye s VAL 12 Cb -0.15 -0.91 -0.08 0.00 0.00 0.00 0.00 36.38 35.24 2pye s VAL 12 CO 0.06 0.32 1.02 -0.94 0.00 0.00 0.00 175.10 175.55 2pye s SER 13 N 0.91 6.39 -0.42 3.32 1.04 -0.52 -2.03 113.70 122.39 2pye s SER 13 Ca -0.10 1.80 0.07 0.00 0.48 0.00 0.00 55.95 58.19 2pye s SER 13 Cb -0.15 -2.54 0.23 0.00 0.10 0.00 0.00 66.02 63.65 2pye s SER 13 CO 0.01 -0.75 0.55 0.54 0.98 0.00 0.00 173.24 174.57 2pye n ARG 14 N -1.22 0.58 -1.70 4.02 1.74 -1.26 -4.34 116.66 114.48 2pye n ARG 14 Ca 0.08 -2.90 -0.42 0.00 -0.77 0.00 0.00 57.85 53.84 2pye n ARG 14 Cb 0.53 -1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 30.56 2pye n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2pye n PRO 15 N 1.89 2.77 0.00 5.56 -0.02 -1.26 -1.92 135.00 142.01 2pye n PRO 15 Ca 0.21 1.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.69 2pye n PRO 15 Cb 0.54 -2.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 2pye n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pye n GLY 16 N 4.10 2.57 2.01 -1.23 0.00 -1.26 -4.84 105.19 106.53 2pye n GLY 16 Ca 0.17 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.34 2pye n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pye n ARG 17 N 0.00 2.02 0.00 1.61 5.12 -0.81 -5.02 116.66 119.58 2pye n ARG 17 Ca 0.00 -1.97 0.00 0.00 -1.93 0.00 0.00 57.85 53.95 2pye n ARG 17 Cb 0.00 -1.78 0.00 0.00 -1.16 0.00 0.00 32.46 29.52 2pye n ARG 17 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2pye n GLY 18 N 0.07 -1.89 3.72 -0.13 0.00 -1.24 -4.91 105.19 100.82 2pye n GLY 18 Ca 0.38 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.62 2pye n GLY 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2pye s GLU 19 N 0.00 1.59 0.29 1.61 4.04 -1.26 -4.56 118.70 120.41 2pye s GLU 19 Ca 0.00 1.15 -0.29 0.00 0.04 0.00 0.00 54.97 55.86 2pye s GLU 19 Cb 0.00 -1.82 -0.10 0.00 0.02 0.00 0.00 34.13 32.23 2pye s GLU 19 CO 0.00 -2.10 1.18 -2.14 -1.84 0.00 0.00 175.26 170.36 2pye s PRO 20 N -4.84 4.53 0.12 -4.83 0.02 -1.26 -4.68 135.00 124.06 2pye s PRO 20 Ca 0.63 1.95 -0.30 0.00 0.02 0.00 0.00 61.00 63.30 2pye s PRO 20 Cb -0.19 -3.15 -0.07 0.00 0.02 0.00 0.00 34.50 31.11 2pye s PRO 20 CO 0.57 0.04 1.22 0.50 -0.33 0.00 0.00 177.00 179.00 2pye s ARG 21 N -1.43 4.45 -0.09 5.54 6.06 -0.86 -4.86 118.95 127.76 2pye s ARG 21 Ca 0.47 1.85 0.02 0.00 -2.50 0.00 0.00 55.73 55.56 2pye s ARG 21 Cb -0.35 -3.29 0.02 0.00 0.06 0.00 0.00 34.95 31.39 2pye s ARG 21 CO 0.45 -0.20 -0.12 0.12 -2.50 0.00 0.00 175.30 173.04 2pye s PHE 22 N 0.60 1.59 -0.04 5.12 5.36 -1.26 -1.53 117.98 127.82 2pye s PHE 22 Ca 0.57 -0.67 0.04 0.00 -0.96 0.00 0.00 56.93 55.90 2pye s PHE 22 Cb -0.32 -1.19 0.00 0.00 -0.34 0.00 0.00 43.02 41.17 2pye s PHE 22 CO 0.32 -0.38 -0.15 0.42 -1.46 0.00 0.00 175.22 173.98 2pye s ILE 23 N 0.96 1.26 -0.01 3.12 1.01 -0.60 -1.01 121.20 125.93 2pye s ILE 23 Ca -0.09 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 59.97 2pye s ILE 23 Cb -0.15 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.23 2pye s ILE 23 CO -0.00 0.37 -0.05 0.00 0.00 0.00 0.00 174.94 175.26 2pye s ALA 24 N 0.14 0.48 0.02 9.38 0.00 -0.58 -1.54 121.76 129.66 2pye s ALA 24 Ca -0.05 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.74 2pye s ALA 24 Cb -0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2pye s ALA 24 CO 0.02 0.08 -0.05 0.14 0.00 0.00 0.00 175.76 175.96 2pye s VAL 25 N 0.10 0.31 -0.06 0.00 -7.23 -0.92 -1.56 120.40 111.04 2pye s VAL 25 Ca -0.01 -0.74 0.04 0.00 -1.81 0.00 0.00 61.98 59.46 2pye s VAL 25 Cb -0.05 -0.37 -0.00 0.00 0.56 0.00 0.00 36.38 36.52 2pye s VAL 25 CO -0.00 -0.29 -0.19 -0.83 -0.31 0.00 0.00 175.10 173.48 2pye s GLY 26 N -1.09 1.02 0.11 2.32 0.00 -1.06 -1.61 107.32 107.01 2pye s GLY 26 Ca -0.09 -0.75 0.08 0.00 0.00 0.00 0.00 44.72 43.96 2pye s GLY 26 CO -0.00 -0.34 -0.20 -0.19 0.00 0.00 0.00 173.10 172.37 2pye s TYR 27 N 0.12 1.73 -0.13 1.90 1.51 -0.13 -0.04 117.35 122.31 2pye s TYR 27 Ca -0.07 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 2pye s TYR 27 Cb -0.13 -0.93 0.02 0.00 -0.11 0.00 0.00 41.96 40.81 2pye s TYR 27 CO 0.03 0.21 -0.13 0.08 -1.11 0.00 0.00 175.55 174.64 2pye s VAL 28 N -1.37 1.43 0.00 0.71 1.01 -0.03 -1.52 120.40 120.63 2pye s VAL 28 Ca 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2pye s VAL 28 Cb -0.09 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.94 2pye s VAL 28 CO 0.04 0.43 0.00 0.47 0.00 0.00 0.00 175.10 176.05 2pye n ASP 29 N 4.70 0.00 -1.29 3.32 8.00 -0.15 -0.86 116.55 130.26 2pye n ASP 29 Ca -0.16 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.42 2pye n ASP 29 Cb 0.50 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.92 2pye n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2pye n ASP 30 N 6.00 4.62 -4.32 -2.24 8.00 -1.26 -4.94 116.55 122.41 2pye n ASP 30 Ca 0.00 -2.96 -0.34 0.00 0.71 0.00 0.00 54.79 52.21 2pye n ASP 30 Cb 0.00 -0.60 -0.15 0.00 -0.02 0.00 0.00 41.12 40.36 2pye n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2pye s THR 31 N -2.76 3.00 -0.05 -3.53 2.01 -0.04 -5.02 115.64 109.25 2pye s THR 31 Ca 0.47 -0.65 -0.26 0.00 0.31 0.00 0.00 61.69 61.55 2pye s THR 31 Cb 0.37 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 2pye s THR 31 CO 0.12 0.50 0.82 -1.58 -0.69 0.00 0.00 174.62 173.79 2pye s GLN 32 N 0.82 4.47 -0.00 4.92 0.74 -1.26 -0.85 119.66 128.49 2pye s GLN 32 Ca -0.04 1.10 0.03 0.00 0.05 0.00 0.00 55.36 56.50 2pye s GLN 32 Cb -0.15 -3.47 -0.03 0.00 1.10 0.00 0.00 33.01 30.46 2pye s GLN 32 CO 0.01 -0.03 0.09 1.97 -0.55 0.00 0.00 175.29 176.78 2pye n PHE 33 N 4.00 0.00 -4.00 1.67 -1.74 0.95 -3.76 117.46 114.57 2pye n PHE 33 Ca 0.02 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.83 2pye n PHE 33 Cb 0.51 -0.02 -0.09 0.00 1.52 0.00 0.00 39.48 41.39 2pye n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2pye s VAL 34 N -1.63 0.18 0.02 1.97 -7.23 -1.15 -1.37 120.40 111.19 2pye s VAL 34 Ca 0.00 -1.50 -0.09 0.00 -1.81 0.00 0.00 61.98 58.59 2pye s VAL 34 Cb 0.02 -1.31 0.00 0.00 0.56 0.00 0.00 36.38 35.65 2pye s VAL 34 CO 0.11 -0.83 0.17 -0.60 -0.31 0.00 0.00 175.10 173.65 2pye s ARG 35 N -3.57 0.61 -0.28 4.82 3.52 0.26 -2.55 118.95 121.76 2pye s ARG 35 Ca 0.03 -0.53 -0.14 0.00 -0.13 0.00 0.00 55.73 54.96 2pye s ARG 35 Cb 0.05 0.25 0.09 0.00 -1.56 0.00 0.00 34.95 33.79 2pye s ARG 35 CO -0.09 -0.16 0.67 0.12 -0.81 0.00 0.00 175.30 175.02 2pye s PHE 36 N -2.08 -1.13 -0.13 5.12 5.36 -0.60 -0.02 117.98 124.48 2pye s PHE 36 Ca -0.09 2.16 -0.01 0.00 -0.96 0.00 0.00 56.93 58.03 2pye s PHE 36 Cb -0.04 0.67 0.04 0.00 -0.34 0.00 0.00 43.02 43.36 2pye s PHE 36 CO -0.01 -0.56 -0.03 0.34 -1.46 0.00 0.00 175.22 173.50 2pye s ASP 37 N 2.02 2.38 0.56 6.13 -1.08 -1.26 -1.53 116.67 123.88 2pye s ASP 37 Ca -0.09 -0.46 0.25 0.00 -0.52 0.00 0.00 52.55 51.73 2pye s ASP 37 Cb -0.07 -0.71 1.49 0.00 -1.46 0.00 0.00 42.92 42.17 2pye s ASP 37 CO -0.19 -0.20 2.07 0.77 0.52 0.00 0.00 175.17 178.13 2pye h SER 38 N 8.21 0.00 0.78 -0.34 4.64 -1.47 -1.62 113.55 123.74 2pye h SER 38 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2pye h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2pye h SER 38 CO 0.35 0.00 -0.50 0.47 -0.87 0.00 0.00 176.83 176.28 2pye n ASP 39 N -4.13 0.57 -4.77 4.97 9.92 -1.26 -4.93 116.55 116.93 2pye n ASP 39 Ca 0.04 0.05 -0.33 0.00 -0.53 0.00 0.00 54.79 54.02 2pye n ASP 39 Cb 0.39 0.09 0.05 0.00 -0.64 0.00 0.00 41.12 41.01 2pye n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2pye s ALA 40 N -3.09 2.45 -0.48 2.24 0.00 -0.61 -4.96 121.76 117.31 2pye s ALA 40 Ca 0.09 0.59 0.26 0.00 0.00 0.00 0.00 51.96 52.90 2pye s ALA 40 Cb 0.15 -3.33 0.83 0.00 0.00 0.00 0.00 23.12 20.76 2pye s ALA 40 CO 0.69 -1.31 1.76 0.00 0.00 0.00 0.00 175.76 176.90 2pye h ALA 41 N 0.05 1.00 -0.06 0.00 0.00 -1.91 -3.34 119.26 115.00 2pye h ALA 41 Ca -0.47 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 2pye h ALA 41 Cb 1.25 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.05 2pye h ALA 41 CO 0.54 0.00 -0.51 0.66 0.00 0.00 0.00 179.25 179.94 2pye h SER 42 N 0.00 0.55 -3.06 0.00 4.64 -1.92 -3.47 113.55 110.29 2pye h SER 42 Ca 0.00 -0.68 -0.28 0.00 -0.47 0.00 0.00 61.79 60.35 2pye h SER 42 Cb 0.68 -0.17 0.03 0.00 -0.31 0.00 0.00 62.40 62.64 2pye h SER 42 CO 0.00 1.15 -0.41 0.00 -0.87 0.00 0.00 176.83 176.70 2pye n GLN 43 N -4.26 -3.07 -4.20 4.77 1.13 -1.26 -5.02 117.38 105.48 2pye n GLN 43 Ca -0.09 0.64 -0.18 0.00 -1.94 0.00 0.00 57.00 55.43 2pye n GLN 43 Cb 0.61 -4.92 -0.12 0.00 0.11 0.00 0.00 30.24 25.93 2pye n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2pye s ARG 44 N -5.24 0.91 0.06 -1.09 1.81 -1.26 -5.03 118.95 109.11 2pye s ARG 44 Ca 0.18 -1.08 -0.31 0.00 -1.72 0.00 0.00 55.73 52.81 2pye s ARG 44 Cb -0.08 -0.88 -0.05 0.00 -0.45 0.00 0.00 34.95 33.48 2pye s ARG 44 CO 0.22 0.19 1.19 1.41 -0.68 0.00 0.00 175.30 177.62 2pye s MET 45 N -2.12 4.44 0.05 3.54 -2.45 -1.26 -4.69 119.30 116.81 2pye s MET 45 Ca 0.03 1.75 0.06 0.00 -1.25 0.00 0.00 55.69 56.28 2pye s MET 45 Cb -0.08 -3.35 -0.03 0.00 1.25 0.00 0.00 34.83 32.61 2pye s MET 45 CO 0.03 -0.25 -0.14 -1.21 1.05 0.00 0.00 175.02 174.50 2pye s GLU 46 N 1.05 2.17 0.18 4.11 2.02 0.97 -4.94 118.70 124.26 2pye s GLU 46 Ca 0.58 -0.95 -0.30 0.00 0.02 0.00 0.00 54.97 54.33 2pye s GLU 46 Cb -0.29 -2.28 -0.08 0.00 0.10 0.00 0.00 34.13 31.58 2pye s GLU 46 CO 0.29 0.54 1.05 -1.25 0.02 0.00 0.00 175.26 175.92 2pye s PRO 47 N -1.65 4.65 0.00 0.39 0.04 -1.26 -0.58 135.00 136.59 2pye s PRO 47 Ca 0.17 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2pye s PRO 47 Cb -0.11 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.14 2pye s PRO 47 CO 0.08 0.17 0.58 0.54 0.04 0.00 0.00 177.00 178.40 2pye n ARG 48 N 2.27 0.54 -4.11 4.56 5.12 -0.47 -4.90 116.66 119.67 2pye n ARG 48 Ca 0.02 -0.73 -0.13 0.00 -1.93 0.00 0.00 57.85 55.07 2pye n ARG 48 Cb 0.47 -0.86 -0.11 0.00 -1.16 0.00 0.00 32.46 30.80 2pye n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2pye s ALA 49 N -0.31 0.77 0.08 7.54 0.00 -1.24 -4.65 121.76 123.95 2pye s ALA 49 Ca 0.00 -0.98 -0.15 0.00 0.00 0.00 0.00 51.96 50.83 2pye s ALA 49 Cb 0.00 0.06 -0.15 0.00 0.00 0.00 0.00 23.12 23.03 2pye s ALA 49 CO 0.00 -0.06 1.29 -1.35 0.00 0.00 0.00 175.76 175.64 2pye h PRO 50 N 3.99 0.67 -0.35 0.00 0.11 -1.94 -3.33 132.00 131.15 2pye h PRO 50 Ca -0.36 -0.51 0.06 0.00 0.11 0.00 0.00 66.00 65.30 2pye h PRO 50 Cb 1.19 0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 2pye h PRO 50 CO 0.48 1.13 0.24 0.11 -0.21 0.00 0.00 178.00 179.75 2pye h TRP 51 N 0.36 0.22 0.00 0.65 5.08 -1.95 -2.05 115.95 118.25 2pye h TRP 51 Ca -0.03 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.95 2pye h TRP 51 Cb 1.20 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 27.29 2pye h TRP 51 CO 0.10 0.12 0.00 0.97 -1.28 0.00 0.00 178.44 178.35 2pye h ILE 52 N 0.22 0.00 0.00 0.12 6.09 -1.92 -3.02 117.51 119.01 2pye h ILE 52 Ca 0.16 -0.29 0.00 0.00 -1.37 0.00 0.00 64.86 63.35 2pye h ILE 52 Cb 0.34 1.09 0.00 0.00 0.47 0.00 0.00 36.82 38.72 2pye h ILE 52 CO -0.03 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 174.43 2pye n GLU 53 N -2.43 0.02 0.00 2.19 1.02 -0.77 -2.62 120.64 118.05 2pye n GLU 53 Ca 0.02 0.18 0.14 0.00 -0.02 0.00 0.00 57.16 57.48 2pye n GLU 53 Cb 0.25 -1.50 0.66 0.00 -0.02 0.00 0.00 31.44 30.83 2pye n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pye n GLN 54 N -1.48 0.13 -2.45 3.49 10.64 -1.14 -4.80 117.38 121.76 2pye n GLN 54 Ca 0.05 -0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.81 2pye n GLN 54 Cb 0.21 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 28.05 2pye n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2pye s GLU 55 N -2.87 4.62 0.79 2.61 0.41 -1.08 -5.04 118.70 118.14 2pye s GLU 55 Ca 0.18 1.83 -0.13 0.00 -0.41 0.00 0.00 54.97 56.44 2pye s GLU 55 Cb 0.19 -3.19 0.19 0.00 -1.78 0.00 0.00 34.13 29.54 2pye s GLU 55 CO 0.51 0.17 0.87 0.41 -0.49 0.00 0.00 175.26 176.73 2pye n GLY 56 N 1.25 -2.04 0.21 -1.39 0.00 -1.26 -4.87 105.19 97.10 2pye n GLY 56 Ca -0.01 -1.59 0.15 0.00 0.00 0.00 0.00 46.02 44.57 2pye n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2pye h PRO 57 N 0.00 0.00 -0.08 1.61 0.11 -1.99 -2.77 132.00 128.88 2pye h PRO 57 Ca -0.30 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 2pye h PRO 57 Cb 0.87 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 2pye h PRO 57 CO 0.20 0.00 -0.10 0.93 -0.21 0.00 0.00 178.00 178.82 2pye h GLU 58 N 0.00 0.20 0.10 1.05 3.07 -1.99 -1.94 114.58 115.08 2pye h GLU 58 Ca 0.00 -0.12 -0.00 0.00 -0.50 0.00 0.00 59.36 58.74 2pye h GLU 58 Cb 0.22 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2pye h GLU 58 CO 0.00 0.67 -0.05 -0.92 -1.40 0.00 0.00 179.01 177.31 2pye h TYR 59 N -0.24 -0.13 -0.58 4.33 3.20 -1.85 -1.11 116.97 120.60 2pye h TYR 59 Ca 0.01 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 2pye h TYR 59 Cb 0.64 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 2pye h TYR 59 CO 0.10 -0.05 0.25 -1.49 -1.64 0.00 0.00 178.16 175.33 2pye h TRP 60 N -0.17 0.82 -0.31 -3.82 4.06 -1.57 0.10 115.95 115.06 2pye h TRP 60 Ca -0.01 -0.03 -0.13 0.00 2.06 0.00 0.00 58.89 60.78 2pye h TRP 60 Cb 0.13 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.03 2pye h TRP 60 CO -0.06 0.62 -0.30 -0.44 -3.56 0.00 0.00 178.44 174.70 2pye h ASP 61 N 0.82 0.80 -0.43 -3.49 5.19 -1.24 -2.30 116.42 115.77 2pye h ASP 61 Ca 0.20 -0.47 -0.11 0.00 -0.62 0.00 0.00 57.03 56.03 2pye h ASP 61 Cb 0.13 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 2pye h ASP 61 CO -0.02 1.10 -0.18 1.23 -3.12 0.00 0.00 179.24 178.25 2pye h GLY 62 N 0.52 0.95 1.84 2.75 0.00 -0.77 -1.98 103.07 106.37 2pye h GLY 62 Ca 0.05 -0.84 -0.14 0.00 0.00 0.00 0.00 47.33 46.40 2pye h GLY 62 CO 0.07 0.76 -0.62 0.83 0.00 0.00 0.00 176.54 177.59 2pye h GLU 63 N 0.70 0.16 -0.12 4.80 4.39 -0.86 -0.97 114.58 122.68 2pye h GLU 63 Ca 0.10 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 2pye h GLU 63 Cb 0.74 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.41 2pye h GLU 63 CO 0.06 0.73 -0.10 1.15 -1.16 0.00 0.00 179.01 179.69 2pye h THR 64 N 0.12 1.35 -0.62 1.13 2.02 -1.36 -0.98 112.91 114.57 2pye h THR 64 Ca -0.01 -1.23 -0.09 0.00 0.77 0.00 0.00 66.41 65.85 2pye h THR 64 Cb 1.12 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 69.41 2pye h THR 64 CO 0.09 0.35 0.05 -0.09 0.37 0.00 0.00 175.52 176.29 2pye h ARG 65 N -0.11 1.06 -0.29 6.66 2.43 -1.33 -0.94 114.38 121.86 2pye h ARG 65 Ca 0.02 -0.31 -0.08 0.00 -0.81 0.00 0.00 59.98 58.80 2pye h ARG 65 Cb 0.61 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2pye h ARG 65 CO 0.03 1.01 -0.15 0.87 -1.51 0.00 0.00 179.97 180.22 2pye h LYS 66 N 0.97 0.51 0.00 0.20 1.57 -1.17 -1.53 116.57 117.12 2pye h LYS 66 Ca 0.18 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 2pye h LYS 66 Cb 0.50 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2pye h LYS 66 CO 0.02 0.66 -0.54 -0.24 -0.57 0.00 0.00 179.45 178.78 2pye h VAL 67 N 0.47 0.95 0.00 0.50 3.04 -0.87 -2.35 116.25 117.99 2pye h VAL 67 Ca 0.08 -2.26 -0.16 0.00 -1.01 0.00 0.00 66.70 63.36 2pye h VAL 67 Cb 0.54 2.41 -0.02 0.00 -2.01 0.00 0.00 31.29 32.21 2pye h VAL 67 CO 0.03 0.53 -0.75 0.11 -1.01 0.00 0.00 177.57 176.48 2pye h LYS 68 N 0.00 0.00 -0.16 4.17 1.57 -0.93 -2.39 116.57 118.83 2pye h LYS 68 Ca -0.01 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 2pye h LYS 68 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 2pye h LYS 68 CO 0.07 0.75 -0.43 0.00 -0.57 0.00 0.00 179.45 179.27 2pye h ALA 69 N 1.25 0.26 -0.74 3.86 0.00 -1.27 -2.98 119.26 119.64 2pye h ALA 69 Ca -0.01 -0.47 0.09 0.00 0.00 0.00 0.00 54.91 54.52 2pye h ALA 69 Cb 1.42 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.11 2pye h ALA 69 CO 0.10 0.39 0.39 0.45 0.00 0.00 0.00 179.25 180.58 2pye h HIS 70 N 0.21 0.71 -0.10 0.00 3.86 -1.38 -2.67 115.15 115.78 2pye h HIS 70 Ca -0.01 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2pye h HIS 70 Cb 1.04 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 29.30 2pye h HIS 70 CO 0.10 0.28 0.03 0.66 0.86 0.00 0.00 177.93 179.86 2pye h SER 71 N 0.67 0.15 -0.87 2.45 4.64 -1.41 -2.71 113.55 116.48 2pye h SER 71 Ca 0.36 -0.21 0.12 0.00 -0.47 0.00 0.00 61.79 61.59 2pye h SER 71 Cb 0.34 -0.04 -0.08 0.00 -0.31 0.00 0.00 62.40 62.31 2pye h SER 71 CO -0.25 0.32 0.49 -0.61 -0.87 0.00 0.00 176.83 175.91 2pye h GLN 72 N -0.03 0.73 -0.13 4.77 5.75 -1.37 -0.77 115.11 124.07 2pye h GLN 72 Ca 0.03 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 2pye h GLN 72 Cb 0.23 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 2pye h GLN 72 CO -0.00 0.48 0.06 1.15 -2.65 0.00 0.00 178.83 177.87 2pye h THR 73 N 0.75 1.14 0.00 2.39 2.02 -1.36 -2.53 112.91 115.32 2pye h THR 73 Ca 0.45 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 2pye h THR 73 Cb 0.53 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 2pye h THR 73 CO -0.30 0.12 -0.15 0.45 0.37 0.00 0.00 175.52 176.01 2pye h HIS 74 N 0.07 0.00 -0.16 3.16 3.86 -1.12 -1.18 115.15 119.79 2pye h HIS 74 Ca 0.04 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.13 2pye h HIS 74 Cb 0.15 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 2pye h HIS 74 CO -0.02 0.15 -0.46 -0.09 0.86 0.00 0.00 177.93 178.37 2pye h ARG 75 N 0.00 0.38 0.05 2.45 2.43 -0.95 -2.35 114.38 116.38 2pye h ARG 75 Ca -0.00 -0.21 -0.27 0.00 -0.81 0.00 0.00 59.98 58.69 2pye h ARG 75 Cb 0.29 0.01 0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2pye h ARG 75 CO 0.02 0.77 -1.08 0.28 -1.51 0.00 0.00 179.97 178.45 2pye h VAL 76 N 0.31 1.29 -0.84 0.20 2.07 -0.88 -3.28 116.25 115.12 2pye h VAL 76 Ca 0.02 -2.31 0.05 0.00 0.82 0.00 0.00 66.70 65.28 2pye h VAL 76 Cb 0.93 2.52 -0.05 0.00 -1.52 0.00 0.00 31.29 33.17 2pye h VAL 76 CO 0.08 0.71 0.55 0.44 0.02 0.00 0.00 177.57 179.37 2pye h ASP 77 N 0.30 0.85 -0.81 0.57 3.32 -1.16 -0.83 116.42 118.66 2pye h ASP 77 Ca -0.15 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.94 2pye h ASP 77 Cb 1.75 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 41.06 2pye h ASP 77 CO 0.21 0.56 0.51 -0.07 -1.72 0.00 0.00 179.24 178.73 2pye h LEU 78 N 0.97 0.83 -0.41 1.55 3.38 -1.49 0.29 115.31 120.44 2pye h LEU 78 Ca 0.35 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.14 2pye h LEU 78 Cb 0.15 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2pye h LEU 78 CO -0.12 0.56 -0.69 1.23 0.09 0.00 0.00 178.44 179.51 2pye h GLY 79 N 0.97 0.54 1.22 0.83 0.00 -1.50 -2.70 103.07 102.43 2pye h GLY 79 Ca 0.34 -0.72 -0.16 0.00 0.00 0.00 0.00 47.33 46.78 2pye h GLY 79 CO -0.14 0.64 -0.45 -0.84 0.00 0.00 0.00 176.54 175.76 2pye h THR 80 N 0.34 1.28 -0.05 4.70 2.02 -0.62 -2.87 112.91 117.71 2pye h THR 80 Ca -0.02 -1.63 -0.22 0.00 0.77 0.00 0.00 66.41 65.31 2pye h THR 80 Cb 1.26 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 2pye h THR 80 CO 0.12 0.53 -0.86 -0.07 0.37 0.00 0.00 175.52 175.62 2pye h LEU 81 N 0.67 0.62 -0.96 2.58 3.38 -0.50 -2.18 115.31 118.93 2pye h LEU 81 Ca 0.04 -0.45 0.08 0.00 0.09 0.00 0.00 57.88 57.65 2pye h LEU 81 Cb 1.03 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 2pye h LEU 81 CO 0.10 1.23 0.60 -0.09 0.09 0.00 0.00 178.44 180.37 2pye h ARG 82 N 0.31 1.01 -0.19 1.13 2.43 -1.51 -1.76 114.38 115.80 2pye h ARG 82 Ca -0.06 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 58.99 2pye h ARG 82 Cb 1.47 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2pye h ARG 82 CO 0.15 0.67 -0.11 0.78 -1.51 0.00 0.00 179.97 179.96 2pye h GLY 83 N 1.04 0.45 0.76 2.80 0.00 -1.37 0.29 103.07 107.04 2pye h GLY 83 Ca 0.44 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 47.39 2pye h GLY 83 CO -0.21 0.38 0.33 -0.97 0.00 0.00 0.00 176.54 176.07 2pye h TYR 84 N 0.10 0.62 -0.11 5.60 0.05 -0.95 -1.98 116.97 120.30 2pye h TYR 84 Ca 0.04 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.84 2pye h TYR 84 Cb 0.60 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.15 2pye h TYR 84 CO 0.07 0.32 0.00 0.66 -1.05 0.00 0.00 178.16 178.15 2pye n TYR 85 N -4.80 0.13 -3.74 4.88 4.01 -0.70 -4.95 117.16 111.99 2pye n TYR 85 Ca 0.06 -0.07 -0.29 0.00 -0.16 0.00 0.00 57.90 57.44 2pye n TYR 85 Cb 0.13 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.19 2pye n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2pye n ASN 86 N 0.03 -3.79 -4.93 7.72 4.05 -0.47 -4.98 115.26 112.89 2pye n ASN 86 Ca 0.16 -0.99 -0.25 0.00 0.45 0.00 0.00 54.58 53.95 2pye n ASN 86 Cb 0.27 -3.38 -0.03 0.00 1.23 0.00 0.00 39.78 37.87 2pye n ASN 86 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2pye s GLN 87 N -6.10 3.37 0.61 1.20 -0.21 0.89 -5.03 119.66 114.40 2pye s GLN 87 Ca 0.32 -0.67 -0.18 0.00 0.02 0.00 0.00 55.36 54.85 2pye s GLN 87 Cb -0.11 -2.91 -0.03 0.00 1.00 0.00 0.00 33.01 30.96 2pye s GLN 87 CO 0.86 0.50 1.21 -1.54 -2.12 0.00 0.00 175.29 174.20 2pye s SER 88 N -3.39 5.05 0.27 5.90 1.04 -1.26 -4.79 113.70 116.52 2pye s SER 88 Ca 0.34 2.40 0.07 0.00 0.48 0.00 0.00 55.95 59.24 2pye s SER 88 Cb -0.10 -2.60 0.36 0.00 0.10 0.00 0.00 66.02 63.78 2pye s SER 88 CO 0.28 -1.69 1.62 -0.08 0.98 0.00 0.00 173.24 174.36 2pye h GLU 89 N 0.74 0.14 0.00 4.02 4.57 -1.98 -3.30 114.58 118.77 2pye h GLU 89 Ca -0.50 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 57.59 2pye h GLU 89 Cb 1.30 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 2pye h GLU 89 CO 0.54 0.66 -0.09 0.00 -1.18 0.00 0.00 179.01 178.95 2pye h ALA 90 N 1.32 0.95 -2.36 2.92 0.00 -1.95 -3.44 119.26 116.70 2pye h ALA 90 Ca -0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 2pye h ALA 90 Cb 1.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2pye h ALA 90 CO 0.08 0.00 0.33 0.20 0.00 0.00 0.00 179.25 179.86 2pye s GLY 91 N -3.75 2.69 -0.05 0.00 0.00 -1.24 -4.67 107.32 100.30 2pye s GLY 91 Ca 0.09 0.47 -0.23 0.00 0.00 0.00 0.00 44.72 45.05 2pye s GLY 91 CO 0.63 0.87 0.68 -0.45 0.00 0.00 0.00 173.10 174.83 2pye s SER 92 N -1.75 6.99 0.15 1.64 0.15 -1.26 -4.76 113.70 114.85 2pye s SER 92 Ca 0.52 1.19 0.05 0.00 0.70 0.00 0.00 55.95 58.41 2pye s SER 92 Cb -0.16 -2.40 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 2pye s SER 92 CO 0.21 -0.07 -0.11 -1.00 1.20 0.00 0.00 173.24 173.48 2pye s HIS 93 N 0.57 1.30 -0.04 3.44 3.76 -1.26 -4.96 115.29 118.10 2pye s HIS 93 Ca 0.36 -0.72 0.06 0.00 -0.15 0.00 0.00 55.06 54.61 2pye s HIS 93 Cb -0.18 -0.66 -0.01 0.00 1.11 0.00 0.00 32.58 32.84 2pye s HIS 93 CO 0.18 0.10 -0.21 0.99 -0.85 0.00 0.00 174.74 174.95 2pye s THR 94 N -3.14 1.72 -0.08 1.30 2.01 -1.26 -1.43 115.64 114.75 2pye s THR 94 Ca 0.16 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.31 2pye s THR 94 Cb 0.01 -1.45 -0.00 0.00 0.01 0.00 0.00 72.50 71.07 2pye s THR 94 CO 0.01 0.49 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.51 2pye s VAL 95 N -0.22 1.93 0.04 3.82 1.01 -0.26 -0.39 120.40 126.33 2pye s VAL 95 Ca 0.01 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.04 2pye s VAL 95 Cb -0.11 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 2pye s VAL 95 CO 0.02 0.54 -0.09 -1.10 0.00 0.00 0.00 175.10 174.46 2pye s GLN 96 N 0.13 0.61 -0.10 2.72 -0.21 -0.50 -0.85 119.66 121.46 2pye s GLN 96 Ca -0.11 -0.73 -0.07 0.00 0.02 0.00 0.00 55.36 54.47 2pye s GLN 96 Cb -0.16 -0.46 0.03 0.00 1.00 0.00 0.00 33.01 33.43 2pye s GLN 96 CO 0.06 0.10 0.26 0.50 -2.12 0.00 0.00 175.29 174.09 2pye s ARG 97 N -1.40 0.27 -0.05 2.91 3.52 -0.81 -0.58 118.95 122.81 2pye s ARG 97 Ca -0.06 0.44 0.02 0.00 -0.13 0.00 0.00 55.73 56.00 2pye s ARG 97 Cb -0.09 0.03 0.02 0.00 -1.56 0.00 0.00 34.95 33.35 2pye s ARG 97 CO 0.01 -0.09 -0.07 1.41 -0.81 0.00 0.00 175.30 175.75 2pye s MET 98 N 0.63 1.07 -0.00 5.12 -2.45 -0.54 -0.89 119.30 122.23 2pye s MET 98 Ca -0.04 -0.21 -0.07 0.00 -1.25 0.00 0.00 55.69 54.12 2pye s MET 98 Cb -0.05 -0.98 0.00 0.00 1.25 0.00 0.00 34.83 35.05 2pye s MET 98 CO -0.04 -0.02 0.13 1.52 1.05 0.00 0.00 175.02 177.66 2pye s TYR 99 N 0.72 0.04 -1.19 4.11 -0.85 -1.05 -0.57 117.35 118.55 2pye s TYR 99 Ca -0.11 -0.11 0.00 0.00 -0.52 0.00 0.00 57.07 56.33 2pye s TYR 99 Cb -0.14 -0.05 0.00 0.00 0.38 0.00 0.00 41.96 42.15 2pye s TYR 99 CO 0.01 -0.26 0.00 0.41 -1.52 0.00 0.00 175.55 174.19 2pye n GLY 100 N 1.62 -1.03 3.27 5.49 0.00 -1.00 -1.42 105.19 112.12 2pye n GLY 100 Ca -0.22 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 2pye n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pye s ASP 102 N -1.84 4.48 0.02 0.00 1.01 -0.01 -1.54 116.67 118.78 2pye s ASP 102 Ca -0.07 -0.35 0.02 0.00 0.71 0.00 0.00 52.55 52.85 2pye s ASP 102 Cb -0.02 -0.89 -0.01 0.00 1.01 0.00 0.00 42.92 43.00 2pye s ASP 102 CO -0.01 0.18 -0.06 0.68 0.21 0.00 0.00 175.17 176.18 2pye s VAL 103 N -1.21 0.40 0.03 -1.27 -7.23 0.46 -2.25 120.40 109.33 2pye s VAL 103 Ca 0.22 -0.61 -0.00 0.00 -1.81 0.00 0.00 61.98 59.77 2pye s VAL 103 Cb -0.11 -0.42 0.01 0.00 0.56 0.00 0.00 36.38 36.42 2pye s VAL 103 CO 0.14 -0.15 0.03 0.61 -0.31 0.00 0.00 175.10 175.42 2pye n GLY 104 N 2.24 -1.67 0.25 2.32 0.00 -0.10 -1.31 105.19 106.92 2pye n GLY 104 Ca -0.18 -1.58 0.07 0.00 0.00 0.00 0.00 46.02 44.33 2pye n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2pye h SER 105 N -0.45 0.00 -0.27 1.61 0.02 -1.90 -1.67 113.55 110.89 2pye h SER 105 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2pye h SER 105 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2pye h SER 105 CO 0.01 0.07 0.00 -0.90 -1.14 0.00 0.00 176.83 174.86 2pye n ASP 106 N -4.43 2.02 -0.03 3.07 5.75 -1.26 -4.65 116.55 117.01 2pye n ASP 106 Ca -0.03 -1.84 -0.00 0.00 -0.01 0.00 0.00 54.79 52.91 2pye n ASP 106 Cb 0.15 -0.18 -0.00 0.00 -1.03 0.00 0.00 41.12 40.06 2pye n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2pye n TRP 107 N 0.57 0.00 -3.18 2.11 7.02 -0.63 -5.03 117.44 118.30 2pye n TRP 107 Ca 0.16 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.30 2pye n TRP 107 Cb 0.36 -0.54 -0.06 0.00 -2.42 0.00 0.00 31.31 28.65 2pye n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2pye s ARG 108 N -0.64 4.06 0.34 -0.99 0.52 -1.26 -4.72 118.95 116.27 2pye s ARG 108 Ca 0.00 0.67 -0.28 0.00 -0.52 0.00 0.00 55.73 55.60 2pye s ARG 108 Cb 0.00 -2.65 -0.12 0.00 0.52 0.00 0.00 34.95 32.70 2pye s ARG 108 CO 0.00 0.28 1.33 0.34 0.02 0.00 0.00 175.30 177.28 2pye n PHE 109 N 0.14 2.41 0.04 -0.53 7.35 -1.26 -0.93 117.46 124.67 2pye n PHE 109 Ca 0.00 0.53 0.00 0.00 -0.76 0.00 0.00 57.45 57.22 2pye n PHE 109 Cb 0.52 -2.44 0.00 0.00 0.35 0.00 0.00 39.48 37.91 2pye n PHE 109 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2pye n LEU 110 N 0.77 0.41 -3.85 -2.13 4.77 -0.95 -4.79 117.00 111.22 2pye n LEU 110 Ca 0.04 0.12 -0.10 0.00 -0.03 0.00 0.00 56.01 56.04 2pye n LEU 110 Cb 0.36 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.29 2pye n LEU 110 CO 0.63 -0.45 -0.11 -0.60 -1.33 0.00 0.00 177.39 175.53 2pye s ARG 111 N -2.00 0.71 0.20 3.23 6.06 -1.25 -5.02 118.95 120.87 2pye s ARG 111 Ca 0.00 -0.68 0.05 0.00 -2.50 0.00 0.00 55.73 52.60 2pye s ARG 111 Cb 0.00 0.29 -0.05 0.00 0.06 0.00 0.00 34.95 35.25 2pye s ARG 111 CO 0.00 -0.20 -0.09 0.20 -2.50 0.00 0.00 175.30 172.71 2pye s GLY 112 N -2.19 1.36 -0.03 8.12 0.00 -1.26 -0.83 107.32 112.48 2pye s GLY 112 Ca -0.04 -1.64 -0.11 0.00 0.00 0.00 0.00 44.72 42.93 2pye s GLY 112 CO -0.05 -1.68 0.25 -0.19 0.00 0.00 0.00 173.10 171.43 2pye s TYR 113 N -3.21 -0.15 -0.33 1.90 1.51 -0.70 -4.91 117.35 111.47 2pye s TYR 113 Ca 0.22 0.28 0.07 0.00 -1.01 0.00 0.00 57.07 56.63 2pye s TYR 113 Cb 0.02 0.06 0.19 0.00 -0.11 0.00 0.00 41.96 42.12 2pye s TYR 113 CO 0.05 -0.30 0.60 -1.58 -1.11 0.00 0.00 175.55 173.21 2pye s HIS 114 N -0.95 -1.80 0.16 2.71 2.46 -1.25 -2.36 115.29 114.26 2pye s HIS 114 Ca -0.10 0.79 0.11 0.00 0.47 0.00 0.00 55.06 56.33 2pye s HIS 114 Cb -0.05 0.31 -0.04 0.00 -0.13 0.00 0.00 32.58 32.66 2pye s HIS 114 CO 0.02 -1.12 -0.25 -0.65 -2.47 0.00 0.00 174.74 170.28 2pye s GLN 115 N 2.50 1.43 0.01 2.88 -0.21 0.26 -2.23 119.66 124.30 2pye s GLN 115 Ca 0.12 -1.42 0.01 0.00 0.02 0.00 0.00 55.36 54.08 2pye s GLN 115 Cb -0.08 -1.80 -0.01 0.00 1.00 0.00 0.00 33.01 32.11 2pye s GLN 115 CO -0.20 0.41 -0.03 -0.47 -2.12 0.00 0.00 175.29 172.87 2pye s TYR 116 N -1.41 0.30 0.01 0.91 6.14 -0.62 -1.46 117.35 121.21 2pye s TYR 116 Ca 0.17 -0.23 -0.00 0.00 0.64 0.00 0.00 57.07 57.65 2pye s TYR 116 Cb -0.09 -0.19 -0.01 0.00 0.42 0.00 0.00 41.96 42.09 2pye s TYR 116 CO 0.08 -0.06 -0.01 0.00 0.64 0.00 0.00 175.55 176.20 2pye s ALA 117 N -0.59 0.04 -0.16 3.97 0.00 0.26 -1.96 121.76 123.31 2pye s ALA 117 Ca -0.05 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.62 2pye s ALA 117 Cb -0.04 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.17 2pye s ALA 117 CO -0.00 -0.09 -0.17 -0.47 0.00 0.00 0.00 175.76 175.03 2pye s TYR 118 N -0.81 2.43 -1.55 0.00 5.04 -0.64 -1.41 117.35 120.42 2pye s TYR 118 Ca -0.09 -1.41 -0.05 0.00 -2.44 0.00 0.00 57.07 53.09 2pye s TYR 118 Cb -0.05 -1.73 0.01 0.00 0.35 0.00 0.00 41.96 40.53 2pye s TYR 118 CO -0.00 -0.73 0.61 -0.25 -1.34 0.00 0.00 175.55 173.83 2pye n ASP 119 N 4.71 -6.12 -0.08 4.32 10.43 0.47 -2.50 116.55 127.78 2pye n ASP 119 Ca -0.19 -0.29 -0.01 0.00 2.57 0.00 0.00 54.79 56.88 2pye n ASP 119 Cb 0.50 -4.93 -0.00 0.00 1.84 0.00 0.00 41.12 38.52 2pye n ASP 119 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2pye n GLY 120 N -1.53 0.49 3.37 0.44 0.00 -1.26 -5.01 105.19 101.68 2pye n GLY 120 Ca -0.11 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 2pye n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pye s LYS 121 N -0.92 1.51 0.16 1.61 2.47 -1.04 -5.09 119.74 118.44 2pye s LYS 121 Ca 0.00 -1.25 -0.31 0.00 -1.56 0.00 0.00 55.97 52.84 2pye s LYS 121 Cb 0.00 -1.89 -0.11 0.00 -1.46 0.00 0.00 37.83 34.37 2pye s LYS 121 CO 0.00 0.46 1.74 -0.51 0.16 0.00 0.00 175.35 177.20 2pye s ASP 122 N -1.77 6.44 -0.10 1.43 1.01 -1.26 -1.63 116.67 120.79 2pye s ASP 122 Ca 0.13 2.76 -0.12 0.00 0.71 0.00 0.00 52.55 56.03 2pye s ASP 122 Cb -0.10 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.20 2pye s ASP 122 CO 0.05 -0.96 -0.23 0.00 0.21 0.00 0.00 175.17 174.23 2pye n TYR 123 N 4.78 0.00 -3.67 4.23 9.36 -0.83 -4.72 117.16 126.32 2pye n TYR 123 Ca 0.16 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.24 2pye n TYR 123 Cb 0.37 -0.38 -0.08 0.00 -0.63 0.00 0.00 39.34 38.62 2pye n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2pye s ILE 124 N -2.57 0.00 0.05 2.97 2.07 -1.19 -1.48 121.20 121.05 2pye s ILE 124 Ca -0.20 -0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 58.92 2pye s ILE 124 Cb 0.04 -0.83 0.01 0.00 0.13 0.00 0.00 42.46 41.80 2pye s ILE 124 CO 0.29 -0.01 0.23 0.00 -1.91 0.00 0.00 174.94 173.55 2pye s ALA 125 N 0.21 -0.44 0.19 1.50 0.00 -0.94 -1.60 121.76 120.67 2pye s ALA 125 Ca -0.01 -0.27 -0.27 0.00 0.00 0.00 0.00 51.96 51.42 2pye s ALA 125 Cb -0.04 0.35 -0.08 0.00 0.00 0.00 0.00 23.12 23.35 2pye s ALA 125 CO 0.01 -0.42 0.82 -1.17 0.00 0.00 0.00 175.76 175.01 2pye s LEU 126 N -2.28 4.61 0.97 0.00 2.96 -0.95 -0.90 118.68 123.09 2pye s LEU 126 Ca -0.03 1.73 -0.12 0.00 -0.22 0.00 0.00 54.13 55.50 2pye s LEU 126 Cb 0.00 -3.38 0.17 0.00 0.50 0.00 0.00 46.19 43.49 2pye s LEU 126 CO -0.06 0.19 1.09 -0.54 -1.32 0.00 0.00 176.35 175.71 2pye s LYS 127 N -1.14 0.63 0.28 1.98 1.02 0.11 -4.74 119.74 117.88 2pye s LYS 127 Ca 0.37 0.95 -0.02 0.00 0.02 0.00 0.00 55.97 57.30 2pye s LYS 127 Cb -0.24 -1.73 0.62 0.00 -0.52 0.00 0.00 37.83 35.97 2pye s LYS 127 CO 0.28 -2.71 1.61 1.49 -0.92 0.00 0.00 175.35 175.10 2pye h GLU 128 N -1.89 0.09 -0.05 1.68 4.81 -1.91 0.27 114.58 117.57 2pye h GLU 128 Ca -0.52 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2pye h GLU 128 Cb 1.29 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2pye h GLU 128 CO 0.51 0.06 0.00 -0.40 -0.73 0.00 0.00 179.01 178.45 2pye n ASP 129 N -5.38 0.98 0.00 1.04 3.85 -1.26 -4.60 116.55 111.18 2pye n ASP 129 Ca 0.19 -1.44 0.00 0.00 -0.71 0.00 0.00 54.79 52.84 2pye n ASP 129 Cb 0.63 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 40.37 2pye n ASP 129 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 2pye n LEU 130 N -0.19 0.30 -0.83 -2.12 4.77 0.08 -4.91 117.00 114.09 2pye n LEU 130 Ca 0.19 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.27 2pye n LEU 130 Cb 0.25 -0.45 0.28 0.00 -2.33 0.00 0.00 43.42 41.17 2pye n LEU 130 CO 0.15 -0.15 0.73 0.54 -1.33 0.00 0.00 177.39 177.33 2pye n ARG 131 N -2.00 2.08 -3.75 3.23 3.00 -1.26 -4.85 116.66 113.11 2pye n ARG 131 Ca 0.00 -1.64 -0.08 0.00 -0.01 0.00 0.00 57.85 56.13 2pye n ARG 131 Cb 0.00 -1.43 -0.02 0.00 0.00 0.00 0.00 32.46 31.02 2pye n ARG 131 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2pye s SER 132 N -1.38 -0.32 0.25 0.55 1.04 -1.26 -5.03 113.70 107.55 2pye s SER 132 Ca 0.34 -0.44 0.08 0.00 0.48 0.00 0.00 55.95 56.41 2pye s SER 132 Cb 0.19 0.67 -0.04 0.00 0.10 0.00 0.00 66.02 66.94 2pye s SER 132 CO 0.27 -1.20 0.12 0.26 0.98 0.00 0.00 173.24 173.67 2pye s TRP 133 N -3.79 2.96 -0.22 5.02 0.52 -1.26 0.05 118.94 122.22 2pye s TRP 133 Ca 0.09 -0.15 -0.01 0.00 0.02 0.00 0.00 56.10 56.05 2pye s TRP 133 Cb -0.04 -1.33 0.06 0.00 -1.15 0.00 0.00 33.47 31.01 2pye s TRP 133 CO 0.02 0.56 0.00 0.99 0.02 0.00 0.00 176.95 178.54 2pye s THR 134 N -2.19 0.99 -0.13 2.01 2.01 -0.08 -4.84 115.64 113.41 2pye s THR 134 Ca 0.32 -0.91 -0.07 0.00 0.31 0.00 0.00 61.69 61.34 2pye s THR 134 Cb -0.07 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 2pye s THR 134 CO 0.23 -0.20 0.12 0.00 -0.69 0.00 0.00 174.62 174.08 2pye s ALA 135 N 1.64 3.75 0.10 7.40 0.00 -1.26 -2.22 121.76 131.16 2pye s ALA 135 Ca -0.02 -0.67 -0.07 0.00 0.00 0.00 0.00 51.96 51.20 2pye s ALA 135 Cb -0.18 -1.92 -0.20 0.00 0.00 0.00 0.00 23.12 20.82 2pye s ALA 135 CO -0.08 0.54 1.21 0.00 0.00 0.00 0.00 175.76 177.43 2pye h ALA 136 N 5.28 0.19 -2.73 0.00 0.00 -1.55 -3.47 119.26 116.98 2pye h ALA 136 Ca -0.52 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 53.61 2pye h ALA 136 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2pye h ALA 136 CO 0.60 0.83 0.00 -0.40 0.00 0.00 0.00 179.25 180.28 2pye n ASP 137 N -3.69 0.00 -0.07 0.00 5.68 -1.26 -5.03 116.55 112.18 2pye n ASP 137 Ca -0.09 -0.52 -0.04 0.00 -0.50 0.00 0.00 54.79 53.64 2pye n ASP 137 Cb 0.93 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 41.10 2pye n ASP 137 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 2pye h MET 138 N 0.00 0.69 -0.46 0.11 1.85 -1.99 -1.42 114.93 113.72 2pye h MET 138 Ca 0.00 -0.19 -0.14 0.00 -0.61 0.00 0.00 59.70 58.76 2pye h MET 138 Cb 0.00 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 31.94 2pye h MET 138 CO 0.00 0.74 -0.25 0.00 -0.40 0.00 0.00 176.91 177.00 2pye h ALA 139 N 1.30 0.65 -0.19 0.39 0.00 -1.97 -2.39 119.26 117.05 2pye h ALA 139 Ca 0.12 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 2pye h ALA 139 Cb 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2pye h ALA 139 CO 0.02 0.66 -0.27 0.00 0.00 0.00 0.00 179.25 179.67 2pye h ALA 140 N 0.84 1.20 -0.08 0.00 0.00 -1.81 -2.00 119.26 117.41 2pye h ALA 140 Ca 0.10 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2pye h ALA 140 Cb 0.83 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2pye h ALA 140 CO 0.07 0.52 -0.21 1.96 0.00 0.00 0.00 179.25 181.59 2pye h GLN 141 N 0.32 0.13 -0.37 0.00 1.08 -1.03 0.37 115.11 115.61 2pye h GLN 141 Ca 0.05 -0.03 -0.16 0.00 -1.45 0.00 0.00 58.65 57.05 2pye h GLN 141 Cb 0.64 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 2pye h GLN 141 CO 0.05 0.35 -0.40 1.15 -0.95 0.00 0.00 178.83 179.02 2pye h THR 142 N 0.12 1.27 -0.06 -0.54 2.02 -0.87 -1.54 112.91 113.32 2pye h THR 142 Ca 0.02 -1.58 -0.02 0.00 0.77 0.00 0.00 66.41 65.60 2pye h THR 142 Cb 0.45 1.41 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2pye h THR 142 CO 0.03 0.53 -0.05 0.74 0.37 0.00 0.00 175.52 177.14 2pye h THR 143 N 0.75 1.36 -0.93 3.16 2.02 -0.97 -2.90 112.91 115.39 2pye h THR 143 Ca 0.06 -1.16 0.19 0.00 0.77 0.00 0.00 66.41 66.27 2pye h THR 143 Cb 1.00 1.99 -0.11 0.00 -1.74 0.00 0.00 68.15 69.29 2pye h THR 143 CO 0.10 0.32 0.50 0.50 0.37 0.00 0.00 175.52 177.31 2pye h LYS 144 N -0.27 0.59 -0.19 6.66 3.64 -0.20 -0.45 116.57 126.36 2pye h LYS 144 Ca 0.01 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 2pye h LYS 144 Cb 0.54 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2pye h LYS 144 CO 0.01 0.39 -0.55 0.45 -2.27 0.00 0.00 179.45 177.49 2pye h HIS 145 N 0.61 0.72 -0.42 1.91 3.86 -1.26 -1.03 115.15 119.54 2pye h HIS 145 Ca 0.55 -0.25 -0.06 0.00 -1.16 0.00 0.00 60.37 59.44 2pye h HIS 145 Cb 0.90 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.22 2pye h HIS 145 CO -0.06 0.99 0.01 0.87 0.86 0.00 0.00 177.93 180.60 2pye h LYS 146 N 0.44 0.74 -0.23 2.45 1.57 -1.06 -2.22 116.57 118.27 2pye h LYS 146 Ca 0.01 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 2pye h LYS 146 Cb 1.09 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 2pye h LYS 146 CO 0.10 0.81 0.11 -1.49 -0.57 0.00 0.00 179.45 178.41 2pye h TRP 147 N 0.58 0.33 0.00 -1.35 4.06 -1.09 -1.31 115.95 117.17 2pye h TRP 147 Ca 0.12 -0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.98 2pye h TRP 147 Cb 0.47 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.51 2pye h TRP 147 CO 0.04 0.33 -0.36 1.05 -3.56 0.00 0.00 178.44 175.94 2pye h GLU 148 N 0.23 0.00 0.00 0.49 4.11 -1.17 -0.64 114.58 117.60 2pye h GLU 148 Ca 0.08 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.37 2pye h GLU 148 Cb 0.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2pye h GLU 148 CO -0.01 0.36 -0.66 0.00 0.07 0.00 0.00 179.01 178.78 2pye h ALA 149 N 1.64 0.75 -0.21 1.06 0.00 -1.28 -2.96 119.26 118.25 2pye h ALA 149 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2pye h ALA 149 Cb 0.78 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2pye h ALA 149 CO 0.05 0.82 0.00 0.00 0.00 0.00 0.00 179.25 180.12 2pye n ALA 150 N -2.34 2.49 -3.83 0.00 0.00 -0.50 -4.97 120.51 111.35 2pye n ALA 150 Ca -0.00 -0.68 -0.25 0.00 0.00 0.00 0.00 53.44 52.51 2pye n ALA 150 Cb 0.71 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2pye n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2pye n HIS 151 N 0.78 -1.77 0.02 0.00 -0.00 -0.35 -4.94 115.22 108.96 2pye n HIS 151 Ca 0.17 0.74 -0.13 0.00 -0.00 0.00 0.00 57.72 58.50 2pye n HIS 151 Cb 0.44 -3.92 -0.09 0.00 -0.00 0.00 0.00 29.99 26.43 2pye n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2pye h VAL 152 N -1.85 1.18 -0.96 1.59 2.07 -1.55 -3.30 116.25 113.43 2pye h VAL 152 Ca -0.63 -1.12 0.28 0.00 0.82 0.00 0.00 66.70 66.05 2pye h VAL 152 Cb 1.37 1.89 -0.14 0.00 -1.52 0.00 0.00 31.29 32.88 2pye h VAL 152 CO 0.58 0.27 0.44 0.00 0.02 0.00 0.00 177.57 178.89 2pye h ALA 153 N 0.19 1.68 0.00 1.67 0.00 -1.92 0.21 119.26 121.09 2pye h ALA 153 Ca -0.01 0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2pye h ALA 153 Cb 0.52 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2pye h ALA 153 CO 0.02 -0.51 -0.29 0.93 0.00 0.00 0.00 179.25 179.40 2pye h GLU 154 N 0.30 0.00 -0.03 0.00 3.07 -1.92 -2.61 114.58 113.39 2pye h GLU 154 Ca 0.66 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.40 2pye h GLU 154 Cb 1.42 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.34 2pye h GLU 154 CO -0.62 0.29 -0.42 1.96 -1.40 0.00 0.00 179.01 178.82 2pye h GLN 155 N 0.00 0.34 0.06 2.33 4.20 -0.69 -3.19 115.11 118.16 2pye h GLN 155 Ca -0.00 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.38 2pye h GLN 155 Cb 0.77 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.63 2pye h GLN 155 CO 0.04 1.00 -0.03 -0.07 -0.67 0.00 0.00 178.83 179.10 2pye h LEU 156 N -0.20 -0.07 -0.39 1.46 3.38 -1.35 -2.83 115.31 115.32 2pye h LEU 156 Ca -0.04 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 57.96 2pye h LEU 156 Cb 1.12 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.82 2pye h LEU 156 CO 0.08 0.00 -0.05 0.03 0.09 0.00 0.00 178.44 178.60 2pye h ARG 157 N -0.13 0.05 -1.00 1.13 3.08 -1.59 0.52 114.38 116.45 2pye h ARG 157 Ca -0.01 -0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.23 2pye h ARG 157 Cb 0.11 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.05 2pye h ARG 157 CO 0.01 0.03 0.61 0.00 -1.07 0.00 0.00 179.97 179.56 2pye h ALA 158 N 1.37 1.72 0.16 0.04 0.00 -1.53 0.12 119.26 121.14 2pye h ALA 158 Ca 0.19 0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.95 2pye h ALA 158 Cb 0.28 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.01 2pye h ALA 158 CO -0.36 -0.08 -0.97 -0.92 0.00 0.00 0.00 179.25 176.92 2pye h TYR 159 N 0.74 0.67 -0.46 0.00 3.20 -0.95 -2.98 116.97 117.19 2pye h TYR 159 Ca 0.56 -0.48 -0.12 0.00 3.14 0.00 0.00 58.73 61.84 2pye h TYR 159 Cb 0.91 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 2pye h TYR 159 CO -0.00 1.36 -0.17 -0.07 -1.64 0.00 0.00 178.16 177.64 2pye h LEU 160 N -0.21 0.90 -0.61 2.82 3.38 0.71 0.37 115.31 122.68 2pye h LEU 160 Ca -0.16 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2pye h LEU 160 Cb 1.75 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2pye h LEU 160 CO 0.18 1.06 -0.20 -0.62 0.09 0.00 0.00 178.44 178.95 2pye n GLU 161 N -4.13 1.03 0.00 1.13 1.02 0.35 -4.01 120.64 116.03 2pye n GLU 161 Ca 0.01 -0.61 0.00 0.00 -0.02 0.00 0.00 57.16 56.54 2pye n GLU 161 Cb 0.42 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 2pye n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pye n GLY 162 N 1.30 0.30 0.21 0.62 0.00 -1.13 -4.78 105.19 101.72 2pye n GLY 162 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 2pye n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2pye h THR 163 N 0.00 0.82 -0.42 2.61 2.02 -1.51 0.37 112.91 116.80 2pye h THR 163 Ca 0.00 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.09 2pye h THR 163 Cb 0.00 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 2pye h THR 163 CO 0.00 0.07 0.21 0.00 0.37 0.00 0.00 175.52 176.17 2pye h VAL 165 N 0.42 1.27 -0.57 0.00 2.07 -1.47 -1.78 116.25 116.19 2pye h VAL 165 Ca 0.18 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 2pye h VAL 165 Cb 0.08 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 2pye h VAL 165 CO -0.12 0.47 0.24 -0.33 0.02 0.00 0.00 177.57 177.85 2pye h GLU 166 N 0.76 0.85 -0.18 1.57 5.08 -0.04 -2.68 114.58 119.94 2pye h GLU 166 Ca 0.10 -0.14 -0.21 0.00 -1.00 0.00 0.00 59.36 58.10 2pye h GLU 166 Cb 0.80 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.91 2pye h GLU 166 CO 0.07 0.72 -0.71 -1.49 -1.00 0.00 0.00 179.01 176.59 2pye h TRP 167 N 0.78 1.01 -0.66 4.33 4.06 -1.26 -2.77 115.95 121.45 2pye h TRP 167 Ca 0.19 -0.42 0.11 0.00 2.06 0.00 0.00 58.89 60.83 2pye h TRP 167 Cb 0.18 -0.17 -0.08 0.00 -1.00 0.00 0.00 29.16 28.09 2pye h TRP 167 CO 0.01 1.24 0.24 1.25 -3.56 0.00 0.00 178.44 177.62 2pye h LEU 168 N 0.54 0.23 -0.37 -4.49 5.85 -1.21 0.13 115.31 115.99 2pye h LEU 168 Ca -0.03 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2pye h LEU 168 Cb 1.33 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 2pye h LEU 168 CO 0.15 0.12 0.10 0.03 -0.34 0.00 0.00 178.44 178.50 2pye h ARG 169 N 0.42 0.58 -0.89 1.25 3.08 -1.52 -1.44 114.38 115.86 2pye h ARG 169 Ca 0.34 -0.14 0.08 0.00 0.07 0.00 0.00 59.98 60.33 2pye h ARG 169 Cb 0.45 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.36 2pye h ARG 169 CO -0.34 0.62 0.58 -0.09 -1.07 0.00 0.00 179.97 179.66 2pye h ARG 170 N 0.44 0.93 -0.18 0.04 2.43 -0.88 -1.59 114.38 115.57 2pye h ARG 170 Ca 0.12 -0.06 -0.21 0.00 -0.81 0.00 0.00 59.98 59.02 2pye h ARG 170 Cb 0.29 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2pye h ARG 170 CO -0.00 0.62 -0.70 1.88 -1.51 0.00 0.00 179.97 180.25 2pye h TYR 171 N 0.96 1.00 -0.61 2.20 0.05 -0.50 -2.63 116.97 117.43 2pye h TYR 171 Ca 0.39 -0.41 -0.05 0.00 0.05 0.00 0.00 58.73 58.71 2pye h TYR 171 Cb 0.28 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.83 2pye h TYR 171 CO -0.00 1.23 0.19 -0.07 -1.05 0.00 0.00 178.16 178.46 2pye h LEU 172 N 0.54 0.85 0.04 3.88 3.38 -0.43 -1.98 115.31 121.59 2pye h LEU 172 Ca -0.03 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2pye h LEU 172 Cb 1.32 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2pye h LEU 172 CO 0.14 0.80 -0.02 -0.08 0.09 0.00 0.00 178.44 179.38 2pye h GLU 173 N 0.89 -0.05 0.00 1.13 4.57 -1.37 -2.39 114.58 117.36 2pye h GLU 173 Ca 0.20 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.37 2pye h GLU 173 Cb 0.25 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2pye h GLU 173 CO -0.01 0.61 -0.09 -0.91 -1.18 0.00 0.00 179.01 177.42 2pye h ASN 174 N -0.88 0.00 -0.50 1.04 -0.26 -1.52 -2.50 115.58 110.96 2pye h ASN 174 Ca -0.01 0.00 -0.33 0.00 -0.56 0.00 0.00 56.30 55.41 2pye h ASN 174 Cb 0.68 0.00 -0.21 0.00 -1.06 0.00 0.00 38.32 37.73 2pye h ASN 174 CO 0.01 0.09 -0.28 0.61 -1.06 0.00 0.00 177.43 176.80 2pye n GLY 175 N -1.22 5.54 0.29 2.83 0.00 -0.75 -4.78 105.19 107.10 2pye n GLY 175 Ca -0.03 -1.82 0.17 0.00 0.00 0.00 0.00 46.02 44.34 2pye n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2pye h LYS 176 N 1.49 0.00 0.00 1.61 2.10 -0.95 0.93 116.57 121.75 2pye h LYS 176 Ca 0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 2pye h LYS 176 Cb 1.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.76 2pye h LYS 176 CO 0.58 0.05 0.00 0.93 -2.00 0.00 0.00 179.45 179.02 2pye h GLU 177 N 0.00 0.00 0.00 0.07 3.07 -1.86 -3.10 114.58 112.76 2pye h GLU 177 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2pye h GLU 177 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2pye h GLU 177 CO 0.01 0.00 -0.45 0.25 -1.40 0.00 0.00 179.01 177.42 2pye n THR 178 N -3.04 0.00 -0.02 1.13 -2.24 -0.97 -4.68 114.28 104.45 2pye n THR 178 Ca 0.01 -0.09 -0.19 0.00 -2.27 0.00 0.00 64.05 61.51 2pye n THR 178 Cb 0.31 0.51 -0.14 0.00 -2.10 0.00 0.00 70.33 68.91 2pye n THR 178 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2pye n LEU 179 N -0.85 2.34 -0.74 3.22 4.77 0.28 -4.20 117.00 121.82 2pye n LEU 179 Ca 0.00 0.17 0.08 0.00 -0.03 0.00 0.00 56.01 56.23 2pye n LEU 179 Cb 0.00 -0.84 0.23 0.00 -2.33 0.00 0.00 43.42 40.48 2pye n LEU 179 CO 0.00 0.79 0.69 0.00 -1.33 0.00 0.00 177.39 177.54 2pye n GLN 180 N -3.35 1.94 -1.56 3.23 6.02 -1.17 -4.93 117.38 117.56 2pye n GLN 180 Ca -0.32 -1.45 -0.31 0.00 -0.01 0.00 0.00 57.00 54.90 2pye n GLN 180 Cb 1.04 -1.35 0.05 0.00 1.02 0.00 0.00 30.24 31.01 2pye n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2pye s ARG 181 N -1.52 2.87 -0.25 -1.09 1.70 -1.26 -5.02 118.95 114.37 2pye s ARG 181 Ca 0.30 1.00 -0.04 0.00 -0.47 0.00 0.00 55.73 56.52 2pye s ARG 181 Cb 0.16 -1.98 0.09 0.00 -0.57 0.00 0.00 34.95 32.65 2pye s ARG 181 CO 0.21 -1.16 0.14 0.99 -1.08 0.00 0.00 175.30 174.40 2pye s THR 182 N -2.99 -0.12 -0.48 4.99 2.01 -1.26 -4.68 115.64 113.11 2pye s THR 182 Ca 0.59 -0.53 -0.19 0.00 0.31 0.00 0.00 61.69 61.87 2pye s THR 182 Cb -0.15 -0.85 0.05 0.00 0.01 0.00 0.00 72.50 71.56 2pye s THR 182 CO 0.54 -0.55 0.57 -1.81 -0.69 0.00 0.00 174.62 172.68 2pye s ASP 183 N 2.15 6.22 0.54 3.53 1.11 -0.46 -4.82 116.67 124.94 2pye s ASP 183 Ca 0.07 -0.82 -0.21 0.00 0.18 0.00 0.00 52.55 51.77 2pye s ASP 183 Cb -0.16 -2.27 -0.05 0.00 1.07 0.00 0.00 42.92 41.51 2pye s ASP 183 CO -0.27 -0.79 1.24 0.00 1.18 0.00 0.00 175.17 176.53 2pye s ALA 184 N 2.46 2.74 0.27 5.23 0.00 -1.26 -1.62 121.76 129.57 2pye s ALA 184 Ca 0.14 1.08 -0.29 0.00 0.00 0.00 0.00 51.96 52.89 2pye s ALA 184 Cb -0.19 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.38 2pye s ALA 184 CO 0.13 -1.08 1.15 -1.25 0.00 0.00 0.00 175.76 174.71 2pye s PRO 185 N -3.04 4.57 -0.27 0.00 0.04 -1.26 -4.55 135.00 130.48 2pye s PRO 185 Ca 0.72 1.88 -0.22 0.00 0.04 0.00 0.00 61.00 63.43 2pye s PRO 185 Cb -0.33 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.03 2pye s PRO 185 CO 0.37 0.10 0.71 0.15 0.04 0.00 0.00 177.00 178.37 2pye s LYS 186 N -1.31 4.05 0.11 4.56 1.02 0.48 -4.83 119.74 123.83 2pye s LYS 186 Ca 0.47 0.59 0.11 0.00 0.02 0.00 0.00 55.97 57.15 2pye s LYS 186 Cb -0.33 -3.68 -0.04 0.00 -0.52 0.00 0.00 37.83 33.26 2pye s LYS 186 CO 0.42 -0.53 -0.27 0.95 -0.92 0.00 0.00 175.35 175.01 2pye s THR 187 N 2.70 2.25 0.27 2.17 -4.23 -1.26 -0.94 115.64 116.62 2pye s THR 187 Ca 0.29 -1.68 -0.21 0.00 -1.18 0.00 0.00 61.69 58.91 2pye s THR 187 Cb -0.15 -1.97 0.02 0.00 1.34 0.00 0.00 72.50 71.74 2pye s THR 187 CO 0.10 0.15 0.71 -1.38 -0.54 0.00 0.00 174.62 173.66 2pye s HIS 188 N -1.01 -0.20 -0.03 3.99 -3.43 -1.25 -5.01 115.29 108.36 2pye s HIS 188 Ca 0.14 -0.25 0.03 0.00 -0.80 0.00 0.00 55.06 54.17 2pye s HIS 188 Cb -0.10 0.70 0.00 0.00 -1.43 0.00 0.00 32.58 31.75 2pye s HIS 188 CO 0.05 -1.22 -0.11 1.41 -2.00 0.00 0.00 174.74 172.88 2pye s MET 189 N -3.91 1.08 0.27 -0.38 1.75 -1.26 -0.92 119.30 115.93 2pye s MET 189 Ca 0.11 -0.37 0.09 0.00 -1.25 0.00 0.00 55.69 54.27 2pye s MET 189 Cb -0.06 -1.00 -0.04 0.00 2.84 0.00 0.00 34.83 36.57 2pye s MET 189 CO 0.06 0.15 0.07 0.95 -0.65 0.00 0.00 175.02 175.60 2pye s THR 190 N 0.10 3.61 -0.01 10.11 -4.23 -0.11 -4.94 115.64 120.17 2pye s THR 190 Ca -0.02 -1.76 0.03 0.00 -1.18 0.00 0.00 61.69 58.76 2pye s THR 190 Cb -0.08 -3.00 -0.00 0.00 1.34 0.00 0.00 72.50 70.76 2pye s THR 190 CO 0.01 -0.34 -0.09 -2.28 -0.54 0.00 0.00 174.62 171.38 2pye s HIS 191 N -2.30 0.85 -0.13 3.99 5.04 -1.26 -1.42 115.29 120.06 2pye s HIS 191 Ca 0.33 -0.18 -0.04 0.00 -1.54 0.00 0.00 55.06 53.63 2pye s HIS 191 Cb -0.06 -0.57 0.05 0.00 0.04 0.00 0.00 32.58 32.04 2pye s HIS 191 CO 0.22 -0.04 0.10 -1.01 -2.34 0.00 0.00 174.74 171.66 2pye s HIS 192 N -0.07 0.08 -0.77 3.88 3.76 -0.11 -4.98 115.29 117.07 2pye s HIS 192 Ca 0.01 -0.02 -0.26 0.00 -0.15 0.00 0.00 55.06 54.64 2pye s HIS 192 Cb -0.05 -0.56 -0.02 0.00 1.11 0.00 0.00 32.58 33.05 2pye s HIS 192 CO -0.00 -0.41 1.80 0.00 -0.85 0.00 0.00 174.74 175.28 2pye s ALA 193 N 2.18 2.08 0.22 -1.40 0.00 -1.26 -0.48 121.76 123.09 2pye s ALA 193 Ca 0.03 -1.18 -0.07 0.00 0.00 0.00 0.00 51.96 50.74 2pye s ALA 193 Cb -0.15 -4.41 0.17 0.00 0.00 0.00 0.00 23.12 18.73 2pye s ALA 193 CO -0.07 -4.17 1.78 0.28 0.00 0.00 0.00 175.76 173.58 2pye h VAL 194 N 6.94 1.26 -1.50 0.00 2.07 -1.88 -3.48 116.25 119.66 2pye h VAL 194 Ca -0.09 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.60 2pye h VAL 194 Cb 1.08 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2pye h VAL 194 CO 1.24 0.34 0.00 -1.54 0.02 0.00 0.00 177.57 177.63 2pye n SER 195 N -4.27 0.00 -0.36 0.57 3.41 -1.22 -4.96 113.62 106.78 2pye n SER 195 Ca 0.07 -0.90 0.29 0.00 -0.26 0.00 0.00 58.87 58.06 2pye n SER 195 Cb 0.19 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 64.72 2pye n SER 195 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2pye h ASP 196 N 0.00 0.33 0.00 4.04 2.03 -2.04 -3.15 116.42 117.63 2pye h ASP 196 Ca 0.00 0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 2pye h ASP 196 Cb 0.00 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 2pye h ASP 196 CO 0.00 -0.01 -0.10 1.41 -1.03 0.00 0.00 179.24 179.51 2pye n HIS 197 N -4.60 0.00 -3.65 4.15 8.25 -1.26 -4.97 115.22 113.14 2pye n HIS 197 Ca 0.29 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.55 2pye n HIS 197 Cb 1.09 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.19 2pye n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2pye s GLU 198 N -0.91 3.19 -0.27 -0.41 0.41 -1.19 -0.13 118.70 119.39 2pye s GLU 198 Ca 0.00 -0.95 -0.25 0.00 -0.41 0.00 0.00 54.97 53.36 2pye s GLU 198 Cb 0.00 -2.82 0.07 0.00 -1.78 0.00 0.00 34.13 29.60 2pye s GLU 198 CO 0.00 0.18 0.73 0.00 -0.49 0.00 0.00 175.26 175.68 2pye s ALA 199 N -2.12 -1.78 -0.12 5.21 0.00 -0.87 -3.25 121.76 118.83 2pye s ALA 199 Ca 0.41 2.02 0.03 0.00 0.00 0.00 0.00 51.96 54.42 2pye s ALA 199 Cb -0.09 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.86 2pye s ALA 199 CO 0.30 -0.34 -0.23 0.99 0.00 0.00 0.00 175.76 176.48 2pye s THR 200 N 0.36 2.04 -0.12 0.00 2.01 0.36 -0.22 115.64 120.07 2pye s THR 200 Ca -0.00 -0.99 -0.03 0.00 0.31 0.00 0.00 61.69 60.98 2pye s THR 200 Cb -0.05 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 2pye s THR 200 CO 0.01 0.55 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.73 2pye s LEU 201 N 0.57 3.52 -0.16 4.42 1.43 -0.22 -0.94 118.68 127.30 2pye s LEU 201 Ca -0.13 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 2pye s LEU 201 Cb -0.17 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.25 2pye s LEU 201 CO 0.04 0.28 -0.11 -0.60 0.23 0.00 0.00 176.35 176.19 2pye s ARG 202 N -0.31 2.01 -0.27 1.70 6.06 -0.51 -0.77 118.95 126.87 2pye s ARG 202 Ca 0.06 -0.57 -0.10 0.00 -2.50 0.00 0.00 55.73 52.62 2pye s ARG 202 Cb -0.12 -2.08 -0.05 0.00 0.06 0.00 0.00 34.95 32.76 2pye s ARG 202 CO 0.02 -0.31 0.17 0.00 -2.50 0.00 0.00 175.30 172.68 2pye s TRP 204 N 1.60 3.06 -0.28 0.00 0.52 -0.10 -2.03 118.94 121.72 2pye s TRP 204 Ca 0.07 -0.24 -0.02 0.00 0.02 0.00 0.00 56.10 55.93 2pye s TRP 204 Cb -0.15 -1.89 0.16 0.00 -1.15 0.00 0.00 33.47 30.43 2pye s TRP 204 CO 0.09 0.09 0.52 0.00 0.02 0.00 0.00 176.95 177.67 2pye s ALA 205 N -2.21 -1.79 0.16 0.98 0.00 -1.06 -3.78 121.76 114.06 2pye s ALA 205 Ca 0.43 1.54 0.06 0.00 0.00 0.00 0.00 51.96 53.99 2pye s ALA 205 Cb -0.08 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 2pye s ALA 205 CO 0.29 -1.25 -0.14 -0.51 0.00 0.00 0.00 175.76 174.15 2pye s LEU 206 N 2.74 2.49 -1.50 0.00 1.43 -0.11 -2.27 118.68 121.45 2pye s LEU 206 Ca 0.15 -0.93 -0.06 0.00 -1.03 0.00 0.00 54.13 52.26 2pye s LEU 206 Cb -0.15 -0.57 0.02 0.00 0.03 0.00 0.00 46.19 45.52 2pye s LEU 206 CO -0.19 -0.18 0.69 -1.20 0.23 0.00 0.00 176.35 175.70 2pye n SER 207 N 0.04 -5.84 -4.83 2.29 7.64 -1.14 -0.38 113.62 111.40 2pye n SER 207 Ca -0.12 -0.35 -0.27 0.00 1.01 0.00 0.00 58.87 59.14 2pye n SER 207 Cb 0.59 -4.70 -0.05 0.00 -1.01 0.00 0.00 64.21 59.03 2pye n SER 207 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2pye s PHE 208 N -3.18 3.23 -0.23 1.43 -0.12 -1.14 -4.66 117.98 113.32 2pye s PHE 208 Ca 0.37 0.03 -0.17 0.00 -0.05 0.00 0.00 56.93 57.12 2pye s PHE 208 Cb -0.17 -1.57 0.07 0.00 -0.63 0.00 0.00 43.02 40.72 2pye s PHE 208 CO 0.46 0.52 0.59 -0.47 -0.05 0.00 0.00 175.22 176.28 2pye s TYR 209 N -1.69 -0.80 0.98 3.49 5.04 -0.64 -1.22 117.35 122.51 2pye s TYR 209 Ca 0.32 1.74 -0.12 0.00 -2.44 0.00 0.00 57.07 56.56 2pye s TYR 209 Cb -0.11 0.39 0.18 0.00 0.35 0.00 0.00 41.96 42.76 2pye s TYR 209 CO 0.24 -0.40 1.11 -1.25 -1.34 0.00 0.00 175.55 173.91 2pye s PRO 210 N 1.03 0.62 0.59 4.97 0.04 -1.26 -1.35 135.00 139.64 2pye s PRO 210 Ca -0.06 0.41 0.38 0.00 0.04 0.00 0.00 61.00 61.77 2pye s PRO 210 Cb -0.05 -1.77 2.05 0.00 0.04 0.00 0.00 34.50 34.77 2pye s PRO 210 CO -0.10 -2.58 2.15 0.00 0.04 0.00 0.00 177.00 176.51 2pye h ALA 211 N -1.78 1.05 -2.37 8.56 0.00 -1.95 -3.44 119.26 119.32 2pye h ALA 211 Ca -0.53 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 53.84 2pye h ALA 211 Cb 1.33 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.14 2pye h ALA 211 CO 0.59 -0.05 1.19 -1.21 0.00 0.00 0.00 179.25 179.77 2pye s GLU 212 N -4.01 4.15 -0.04 0.00 0.41 -1.26 -4.98 118.70 112.98 2pye s GLU 212 Ca -0.04 2.55 -0.29 0.00 -0.41 0.00 0.00 54.97 56.77 2pye s GLU 212 Cb 0.11 -4.03 0.09 0.00 -1.78 0.00 0.00 34.13 28.51 2pye s GLU 212 CO 0.34 -0.92 0.76 -1.50 -0.49 0.00 0.00 175.26 173.46 2pye s ILE 213 N 4.07 0.00 -0.07 -1.63 2.07 -1.26 -4.59 121.20 119.79 2pye s ILE 213 Ca 0.85 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 60.12 2pye s ILE 213 Cb -0.42 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.18 2pye s ILE 213 CO 0.39 0.00 -0.15 -0.89 -1.91 0.00 0.00 174.94 172.37 2pye s THR 214 N -1.76 1.38 -0.20 4.00 2.01 -0.93 -5.01 115.64 115.13 2pye s THR 214 Ca -0.05 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.33 2pye s THR 214 Cb -0.00 -1.23 0.04 0.00 0.01 0.00 0.00 72.50 71.32 2pye s THR 214 CO 0.03 0.41 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.51 2pye s LEU 215 N 0.57 2.26 0.12 4.42 1.43 -1.26 -2.08 118.68 124.13 2pye s LEU 215 Ca -0.16 -0.89 0.04 0.00 -1.03 0.00 0.00 54.13 52.10 2pye s LEU 215 Cb -0.16 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 2pye s LEU 215 CO 0.05 -0.15 -0.11 0.42 0.23 0.00 0.00 176.35 176.79 2pye s THR 216 N 1.41 1.11 0.22 5.49 -4.23 -1.00 -4.95 115.64 113.68 2pye s THR 216 Ca -0.01 -1.82 0.09 0.00 -1.18 0.00 0.00 61.69 58.77 2pye s THR 216 Cb -0.16 -1.58 -0.04 0.00 1.34 0.00 0.00 72.50 72.05 2pye s THR 216 CO -0.08 -0.60 -0.04 0.26 -0.54 0.00 0.00 174.62 173.62 2pye s TRP 217 N -2.71 2.69 -0.06 3.99 0.52 -1.26 -0.57 118.94 121.54 2pye s TRP 217 Ca 0.10 -0.21 -0.05 0.00 0.02 0.00 0.00 56.10 55.97 2pye s TRP 217 Cb -0.01 -1.26 0.02 0.00 -1.15 0.00 0.00 33.47 31.07 2pye s TRP 217 CO 0.01 0.57 0.16 -0.65 0.02 0.00 0.00 176.95 177.05 2pye s GLN 218 N -3.24 0.16 -0.31 4.98 -0.21 -0.56 -1.86 119.66 118.63 2pye s GLN 218 Ca 0.28 0.26 -0.01 0.00 0.02 0.00 0.00 55.36 55.91 2pye s GLN 218 Cb -0.08 0.03 0.06 0.00 1.00 0.00 0.00 33.01 34.02 2pye s GLN 218 CO 0.18 -0.06 0.02 0.50 -2.12 0.00 0.00 175.29 173.81 2pye s ARG 219 N 0.34 2.27 -1.22 2.91 3.52 0.21 -1.67 118.95 125.32 2pye s ARG 219 Ca -0.02 -1.40 -0.06 0.00 -0.13 0.00 0.00 55.73 54.11 2pye s ARG 219 Cb -0.03 -3.20 0.01 0.00 -1.56 0.00 0.00 34.95 30.16 2pye s ARG 219 CO -0.01 -0.70 0.84 -0.25 -0.81 0.00 0.00 175.30 174.36 2pye n ASP 220 N 4.56 -5.65 0.00 -2.12 10.43 -1.00 -2.64 116.55 120.14 2pye n ASP 220 Ca -0.10 -0.38 0.00 0.00 2.57 0.00 0.00 54.79 56.87 2pye n ASP 220 Cb 0.43 -4.34 0.00 0.00 1.84 0.00 0.00 41.12 39.05 2pye n ASP 220 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2pye n GLY 221 N -1.66 0.78 3.46 0.44 0.00 -1.26 -5.04 105.19 101.91 2pye n GLY 221 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2pye n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pye s GLU 222 N -0.01 3.02 -0.47 1.61 0.41 -1.08 -5.05 118.70 117.13 2pye s GLU 222 Ca 0.00 -0.64 -0.31 0.00 -0.41 0.00 0.00 54.97 53.61 2pye s GLU 222 Cb 0.00 -2.58 -0.11 0.00 -1.78 0.00 0.00 34.13 29.67 2pye s GLU 222 CO 0.00 0.43 2.35 -0.25 -0.49 0.00 0.00 175.26 177.30 2pye n ASP 223 N 2.89 2.06 -4.55 -0.19 10.43 -1.26 -0.62 116.55 125.30 2pye n ASP 223 Ca -0.18 0.06 -0.41 0.00 2.57 0.00 0.00 54.79 56.83 2pye n ASP 223 Cb 0.53 -1.35 -0.08 0.00 1.84 0.00 0.00 41.12 42.06 2pye n ASP 223 CO 0.00 0.00 0.00 -1.58 -1.07 0.00 0.00 177.20 174.55 2pye s GLN 224 N 7.31 3.59 -0.00 -1.24 2.00 -0.77 -4.87 119.66 125.67 2pye s GLN 224 Ca 1.09 -0.18 0.03 0.00 -2.00 0.00 0.00 55.36 54.29 2pye s GLN 224 Cb -0.64 -3.82 -0.03 0.00 0.80 0.00 0.00 33.01 29.32 2pye s GLN 224 CO 0.40 -0.67 0.10 -2.37 -0.50 0.00 0.00 175.29 172.25 2pye n THR 225 N 5.46 0.00 -2.26 -0.34 5.66 -1.26 -4.31 114.28 117.22 2pye n THR 225 Ca -0.05 -0.37 -0.41 0.00 -3.05 0.00 0.00 64.05 60.18 2pye n THR 225 Cb 0.49 0.90 -0.03 0.00 -1.55 0.00 0.00 70.33 70.13 2pye n THR 225 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2pye s GLN 226 N -1.42 4.44 -1.85 1.09 2.00 -1.26 -3.07 119.66 119.60 2pye s GLN 226 Ca 0.01 2.03 0.00 0.00 -2.00 0.00 0.00 55.36 55.39 2pye s GLN 226 Cb 0.02 -3.17 0.00 0.00 0.80 0.00 0.00 33.01 30.66 2pye s GLN 226 CO 0.11 -0.13 0.00 -0.25 -0.50 0.00 0.00 175.29 174.52 2pye n ASP 227 N 1.89 -5.67 -4.77 6.67 10.43 -1.26 -4.80 116.55 119.04 2pye n ASP 227 Ca 0.03 0.13 -0.22 0.00 2.57 0.00 0.00 54.79 57.30 2pye n ASP 227 Cb 0.43 -4.80 -0.05 0.00 1.84 0.00 0.00 41.12 38.54 2pye n ASP 227 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2pye s THR 228 N -2.93 3.85 -0.09 -3.53 -4.23 -1.17 -1.92 115.64 105.61 2pye s THR 228 Ca 0.00 -1.57 -0.03 0.00 -1.18 0.00 0.00 61.69 58.91 2pye s THR 228 Cb 0.00 -3.17 0.05 0.00 1.34 0.00 0.00 72.50 70.72 2pye s THR 228 CO 0.00 -0.30 0.17 -0.70 -0.54 0.00 0.00 174.62 173.25 2pye s GLU 229 N -3.83 0.08 -0.18 3.99 2.12 0.83 -4.98 118.70 116.73 2pye s GLU 229 Ca 0.35 0.52 0.00 0.00 0.36 0.00 0.00 54.97 56.20 2pye s GLU 229 Cb -0.06 -0.21 0.01 0.00 0.26 0.00 0.00 34.13 34.13 2pye s GLU 229 CO 0.24 -0.25 -0.18 -1.17 -0.54 0.00 0.00 175.26 173.36 2pye s LEU 230 N 1.90 2.25 0.46 2.70 2.96 -1.26 -0.26 118.68 127.42 2pye s LEU 230 Ca -0.02 -0.60 -0.03 0.00 -0.22 0.00 0.00 54.13 53.26 2pye s LEU 230 Cb -0.12 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 2pye s LEU 230 CO -0.06 0.01 0.72 0.68 -1.32 0.00 0.00 176.35 176.38 2pye s VAL 231 N 1.27 4.54 0.45 1.68 -7.23 -0.92 -5.04 120.40 115.15 2pye s VAL 231 Ca 0.04 -0.15 -0.23 0.00 -1.81 0.00 0.00 61.98 59.83 2pye s VAL 231 Cb -0.13 -3.71 -0.07 0.00 0.56 0.00 0.00 36.38 33.02 2pye s VAL 231 CO -0.10 -0.60 1.20 -0.70 -0.31 0.00 0.00 175.10 174.58 2pye s GLU 232 N -4.64 3.77 0.28 4.82 2.12 -1.26 -4.64 118.70 119.15 2pye s GLU 232 Ca 0.47 1.87 -0.30 0.00 0.36 0.00 0.00 54.97 57.37 2pye s GLU 232 Cb -0.10 -2.47 -0.11 0.00 0.26 0.00 0.00 34.13 31.71 2pye s GLU 232 CO 0.41 -0.57 1.54 0.99 -0.54 0.00 0.00 175.26 177.09 2pye s THR 233 N -1.47 2.25 0.08 -1.70 2.01 -1.26 -4.83 115.64 110.72 2pye s THR 233 Ca 0.63 0.22 0.05 0.00 0.31 0.00 0.00 61.69 62.89 2pye s THR 233 Cb -0.31 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 2pye s THR 233 CO 0.38 0.04 -0.13 0.00 -0.69 0.00 0.00 174.62 174.22 2pye s ARG 234 N -0.57 0.81 0.17 4.92 1.70 -0.74 -4.98 118.95 120.25 2pye s ARG 234 Ca 0.61 -0.99 -0.24 0.00 -0.47 0.00 0.00 55.73 54.64 2pye s ARG 234 Cb -0.46 -0.72 -0.08 0.00 -0.57 0.00 0.00 34.95 33.12 2pye s ARG 234 CO 0.47 0.15 0.76 -1.25 -1.08 0.00 0.00 175.30 174.35 2pye s PRO 235 N -1.98 4.51 0.24 3.89 0.04 -1.26 -0.62 135.00 139.82 2pye s PRO 235 Ca -0.01 1.10 0.12 0.00 0.04 0.00 0.00 61.00 62.26 2pye s PRO 235 Cb -0.08 -3.22 0.10 0.00 0.04 0.00 0.00 34.50 31.34 2pye s PRO 235 CO 0.02 0.56 1.45 0.00 0.04 0.00 0.00 177.00 179.07 2pye h ALA 236 N 4.24 0.64 0.00 8.56 0.00 -1.69 -3.47 119.26 127.54 2pye h ALA 236 Ca -0.47 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 53.82 2pye h ALA 236 Cb 1.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2pye h ALA 236 CO 0.66 0.85 0.00 0.41 0.00 0.00 0.00 179.25 181.16 2pye n GLY 237 N 0.99 0.94 0.21 0.00 0.00 -1.26 -4.97 105.19 101.10 2pye n GLY 237 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 2pye n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pye n ASP 238 N 0.00 1.06 0.00 1.61 5.75 -1.26 -4.98 116.55 118.73 2pye n ASP 238 Ca 0.00 -2.22 0.00 0.00 -0.01 0.00 0.00 54.79 52.56 2pye n ASP 238 Cb 0.00 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 2pye n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pye n GLY 239 N -0.55 0.20 3.92 6.12 0.00 -1.26 -5.07 105.19 108.54 2pye n GLY 239 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 2pye n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pye s THR 240 N -2.07 2.60 0.21 2.61 -4.23 -1.26 -4.88 115.64 108.63 2pye s THR 240 Ca 0.00 -1.25 0.06 0.00 -1.18 0.00 0.00 61.69 59.32 2pye s THR 240 Cb 0.00 -2.86 -0.05 0.00 1.34 0.00 0.00 72.50 70.93 2pye s THR 240 CO 0.00 0.00 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.63 2pye s PHE 241 N -2.49 1.64 0.15 3.99 0.40 -0.35 -1.83 117.98 119.49 2pye s PHE 241 Ca 0.49 -0.70 0.04 0.00 -0.60 0.00 0.00 56.93 56.17 2pye s PHE 241 Cb -0.05 -0.85 -0.05 0.00 0.51 0.00 0.00 43.02 42.59 2pye s PHE 241 CO 0.29 0.21 -0.08 -0.65 0.70 0.00 0.00 175.22 175.70 2pye s GLN 242 N -3.72 1.08 -0.20 0.44 -0.21 0.21 -2.87 119.66 114.39 2pye s GLN 242 Ca 0.24 -1.47 -0.31 0.00 0.02 0.00 0.00 55.36 53.84 2pye s GLN 242 Cb 0.02 -0.57 0.15 0.00 1.00 0.00 0.00 33.01 33.61 2pye s GLN 242 CO 0.07 0.04 1.14 0.21 -2.12 0.00 0.00 175.29 174.63 2pye s LYS 243 N -3.78 0.39 -0.07 2.91 2.20 -0.96 -1.80 119.74 118.63 2pye s LYS 243 Ca 0.18 0.03 -0.16 0.00 -0.36 0.00 0.00 55.97 55.66 2pye s LYS 243 Cb 0.03 0.18 0.03 0.00 -1.51 0.00 0.00 37.83 36.57 2pye s LYS 243 CO 0.01 -0.13 0.37 1.67 -0.36 0.00 0.00 175.35 176.91 2pye s TRP 244 N -1.43 -0.32 -0.08 4.03 1.48 -1.26 -2.57 118.94 118.80 2pye s TRP 244 Ca 0.04 0.63 0.05 0.00 -1.06 0.00 0.00 56.10 55.76 2pye s TRP 244 Cb -0.01 0.14 -0.00 0.00 -1.16 0.00 0.00 33.47 32.44 2pye s TRP 244 CO -0.03 -0.34 -0.23 0.00 -4.06 0.00 0.00 176.95 172.28 2pye s ALA 245 N -0.75 2.07 0.04 2.67 0.00 -0.86 -2.17 121.76 122.76 2pye s ALA 245 Ca -0.08 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 50.99 2pye s ALA 245 Cb -0.04 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 2pye s ALA 245 CO 0.03 0.33 -0.17 0.00 0.00 0.00 0.00 175.76 175.95 2pye s ALA 246 N 0.15 1.42 0.02 0.00 0.00 0.64 -0.15 121.76 123.85 2pye s ALA 246 Ca -0.12 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 50.94 2pye s ALA 246 Cb -0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 2pye s ALA 246 CO 0.06 0.30 -0.08 0.54 0.00 0.00 0.00 175.76 176.57 2pye s VAL 247 N -0.82 0.63 -0.31 0.00 0.11 0.05 -0.12 120.40 119.94 2pye s VAL 247 Ca 0.04 -0.74 -0.10 0.00 -2.93 0.00 0.00 61.98 58.25 2pye s VAL 247 Cb -0.08 -0.61 -0.02 0.00 -1.53 0.00 0.00 36.38 34.15 2pye s VAL 247 CO 0.01 -0.10 0.17 -0.69 -3.33 0.00 0.00 175.10 171.16 2pye s VAL 248 N -0.78 4.80 0.22 2.04 1.01 -0.81 -1.06 120.40 125.83 2pye s VAL 248 Ca -0.03 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 61.75 2pye s VAL 248 Cb -0.06 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2pye s VAL 248 CO 0.00 0.10 0.02 0.68 0.00 0.00 0.00 175.10 175.90 2pye s VAL 249 N 1.65 3.66 0.22 2.92 -7.23 0.69 -4.89 120.40 117.42 2pye s VAL 249 Ca 0.05 -1.65 -0.30 0.00 -1.81 0.00 0.00 61.98 58.28 2pye s VAL 249 Cb -0.17 -2.91 -0.09 0.00 0.56 0.00 0.00 36.38 33.78 2pye s VAL 249 CO 0.07 -0.25 1.29 -2.84 -0.31 0.00 0.00 175.10 173.06 2pye s PRO 250 N -3.36 4.40 -0.10 4.82 0.02 -1.26 -2.05 135.00 137.48 2pye s PRO 250 Ca 0.30 2.05 -0.36 0.00 0.02 0.00 0.00 61.00 63.00 2pye s PRO 250 Cb -0.08 -3.18 -0.14 0.00 0.02 0.00 0.00 34.50 31.12 2pye s PRO 250 CO 0.20 -0.21 1.73 0.45 -0.33 0.00 0.00 177.00 178.83 2pye n SER 251 N 2.35 2.83 0.00 2.53 2.88 0.82 -1.88 113.62 123.15 2pye n SER 251 Ca 0.05 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 2pye n SER 251 Cb 0.43 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 2pye n SER 251 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2pye n GLY 252 N 3.97 1.46 0.95 0.46 0.00 -1.26 -4.93 105.19 105.85 2pye n GLY 252 Ca 0.23 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.30 2pye n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pye n GLN 253 N -1.93 2.70 0.28 1.61 6.02 -0.79 -4.75 117.38 120.52 2pye n GLN 253 Ca 0.00 -2.90 0.18 0.00 -0.01 0.00 0.00 57.00 54.27 2pye n GLN 253 Cb 0.00 -1.85 0.82 0.00 1.02 0.00 0.00 30.24 30.24 2pye n GLN 253 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 2pye h GLU 254 N 1.62 0.00 0.00 -1.09 9.09 -1.92 -2.89 114.58 119.39 2pye h GLU 254 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.46 2pye h GLU 254 Cb 1.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.61 2pye h GLU 254 CO 0.27 0.00 0.00 1.04 0.05 0.00 0.00 179.01 180.37 2pye n GLN 255 N -3.01 0.46 0.06 1.06 6.02 -1.26 -2.79 117.38 117.92 2pye n GLN 255 Ca -0.00 0.03 0.13 0.00 -0.01 0.00 0.00 57.00 57.15 2pye n GLN 255 Cb 0.23 -1.50 0.43 0.00 1.02 0.00 0.00 30.24 30.41 2pye n GLN 255 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2pye n ARG 256 N -1.24 0.17 -3.88 -1.09 1.74 -1.09 -4.84 116.66 106.43 2pye n ARG 256 Ca 0.14 0.12 -0.34 0.00 -0.77 0.00 0.00 57.85 57.00 2pye n ARG 256 Cb 0.19 -1.67 -0.05 0.00 -1.02 0.00 0.00 32.46 29.91 2pye n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2pye s TYR 257 N -3.07 3.56 -0.03 -1.55 1.51 -1.12 -2.38 117.35 114.27 2pye s TYR 257 Ca 0.11 0.41 -0.05 0.00 -1.01 0.00 0.00 57.07 56.53 2pye s TYR 257 Cb 0.15 -1.86 0.01 0.00 -0.11 0.00 0.00 41.96 40.14 2pye s TYR 257 CO 0.60 0.65 0.12 0.95 -1.11 0.00 0.00 175.55 176.76 2pye s THR 258 N -1.30 0.02 -0.15 -0.71 -4.23 -0.67 -4.48 115.64 104.13 2pye s THR 258 Ca 0.26 -0.18 -0.06 0.00 -1.18 0.00 0.00 61.69 60.53 2pye s THR 258 Cb -0.13 -0.23 -0.04 0.00 1.34 0.00 0.00 72.50 73.44 2pye s THR 258 CO 0.17 -0.10 0.06 0.00 -0.54 0.00 0.00 174.62 174.21 2pye s HIS 260 N -0.20 2.82 -0.25 0.00 3.76 0.27 0.18 115.29 121.87 2pye s HIS 260 Ca 0.08 -1.41 -0.04 0.00 -0.15 0.00 0.00 55.06 53.54 2pye s HIS 260 Cb -0.12 -1.96 0.01 0.00 1.11 0.00 0.00 32.58 31.61 2pye s HIS 260 CO 0.01 -0.71 -0.02 0.08 -0.85 0.00 0.00 174.74 173.25 2pye s VAL 261 N 1.28 3.36 -0.16 -0.90 1.01 -0.22 -2.39 120.40 122.39 2pye s VAL 261 Ca 0.04 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 2pye s VAL 261 Cb -0.14 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 2pye s VAL 261 CO -0.09 0.27 -0.05 -1.10 0.00 0.00 0.00 175.10 174.13 2pye s GLN 262 N 1.44 3.60 0.02 2.72 -0.21 -0.89 -2.31 119.66 124.03 2pye s GLN 262 Ca 0.03 -0.56 -0.26 0.00 0.02 0.00 0.00 55.36 54.60 2pye s GLN 262 Cb -0.16 -2.88 0.06 0.00 1.00 0.00 0.00 33.01 31.03 2pye s GLN 262 CO -0.02 0.19 0.59 -1.58 -2.12 0.00 0.00 175.29 172.35 2pye s HIS 263 N 0.48 -0.53 0.55 0.91 2.46 -1.26 -2.19 115.29 115.72 2pye s HIS 263 Ca -0.04 0.71 0.23 0.00 0.47 0.00 0.00 55.06 56.43 2pye s HIS 263 Cb -0.15 0.39 1.53 0.00 -0.13 0.00 0.00 32.58 34.23 2pye s HIS 263 CO 0.03 -0.65 2.18 1.49 -2.47 0.00 0.00 174.74 175.33 2pye h GLU 264 N 2.81 0.00 0.00 2.88 4.81 -1.94 -2.56 114.58 120.58 2pye h GLU 264 Ca -0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2pye h GLU 264 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2pye h GLU 264 CO 0.40 0.00 -0.09 0.41 -0.73 0.00 0.00 179.01 179.00 2pye n GLY 265 N -1.45 -1.62 3.52 1.92 0.00 -1.26 -4.72 105.19 101.59 2pye n GLY 265 Ca -0.02 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2pye n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pye s LEU 266 N -4.12 4.56 0.19 0.99 1.43 -0.97 -4.60 118.68 116.17 2pye s LEU 266 Ca 0.11 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.74 2pye s LEU 266 Cb 0.14 -2.58 0.22 0.00 0.03 0.00 0.00 46.19 44.00 2pye s LEU 266 CO 0.60 -0.62 1.69 1.55 0.23 0.00 0.00 176.35 179.79 2pye h PRO 267 N 8.70 0.15 -6.02 1.29 0.13 -1.86 -3.40 132.00 130.99 2pye h PRO 267 Ca -0.26 -0.01 -0.64 0.00 -0.87 0.00 0.00 66.00 64.22 2pye h PRO 267 Cb 1.11 -0.03 -0.30 0.00 0.13 0.00 0.00 31.00 31.90 2pye h PRO 267 CO 0.82 0.10 -0.87 0.21 -0.23 0.00 0.00 178.00 178.04 2pye s LYS 268 N -6.15 1.98 0.31 0.86 2.20 -1.26 -5.12 119.74 112.56 2pye s LYS 268 Ca -0.13 -0.79 -0.29 0.00 -0.36 0.00 0.00 55.97 54.39 2pye s LYS 268 Cb 0.17 -1.82 -0.12 0.00 -1.51 0.00 0.00 37.83 34.55 2pye s LYS 268 CO 0.73 0.42 1.51 -2.30 -0.36 0.00 0.00 175.35 175.35 2pye n PRO 269 N 2.73 2.54 -2.96 4.03 -0.02 -1.26 -4.99 135.00 135.07 2pye n PRO 269 Ca -0.16 0.90 -0.38 0.00 -2.02 0.00 0.00 63.50 61.84 2pye n PRO 269 Cb 0.52 -2.63 -0.06 0.00 -0.02 0.00 0.00 33.50 31.31 2pye n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pye s LEU 270 N -0.82 4.48 -0.29 2.45 1.43 -0.98 -4.92 118.68 120.03 2pye s LEU 270 Ca 0.61 1.64 0.02 0.00 -1.03 0.00 0.00 54.13 55.37 2pye s LEU 270 Cb -0.52 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.24 2pye s LEU 270 CO 0.54 0.10 -0.02 -0.89 0.23 0.00 0.00 176.35 176.31 2pye s THR 271 N -1.35 1.92 0.10 5.49 2.01 -1.26 -1.05 115.64 121.50 2pye s THR 271 Ca 0.41 -1.76 -0.11 0.00 0.31 0.00 0.00 61.69 60.54 2pye s THR 271 Cb -0.21 -2.24 -0.06 0.00 0.01 0.00 0.00 72.50 70.00 2pye s THR 271 CO 0.25 -0.31 0.44 -0.76 -0.69 0.00 0.00 174.62 173.55 2pye s LEU 272 N 1.15 4.35 0.02 4.42 2.01 0.13 -4.92 118.68 125.84 2pye s LEU 272 Ca 0.01 0.88 -0.03 0.00 0.01 0.00 0.00 54.13 55.00 2pye s LEU 272 Cb -0.19 -3.06 -0.01 0.00 0.01 0.00 0.00 46.19 42.94 2pye s LEU 272 CO -0.08 0.16 0.03 -0.60 1.01 0.00 0.00 176.35 176.86 2pye s ARG 273 N -1.90 0.42 -0.34 1.70 3.52 -1.26 -0.59 118.95 120.50 2pye s ARG 273 Ca 0.34 -0.63 -0.29 0.00 -0.13 0.00 0.00 55.73 55.03 2pye s ARG 273 Cb -0.14 0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.41 2pye s ARG 273 CO 0.18 -0.08 1.40 -0.46 -0.81 0.00 0.00 175.30 175.53 2pye s TRP 274 N -1.80 2.47 -0.24 5.12 -0.11 -1.26 -4.98 118.94 118.14 2pye s TRP 274 Ca -0.12 0.74 0.01 0.00 1.22 0.00 0.00 56.10 57.94 2pye s TRP 274 Cb -0.07 -4.10 0.06 0.00 -1.50 0.00 0.00 33.47 27.86 2pye s TRP 274 CO -0.02 -2.01 -0.05 -2.00 -4.62 0.00 0.00 176.95 168.25 2pye s GLU 275 N 4.61 1.66 0.00 5.86 -6.30 -1.26 -4.80 118.70 118.47 2pye s GLU 275 Ca 0.61 -1.06 0.00 0.00 -2.50 0.00 0.00 54.97 52.02 2pye s GLU 275 Cb -0.16 -2.63 0.00 0.00 0.00 0.00 0.00 34.13 31.34 2pye s GLU 275 CO 0.28 -0.62 0.00 -2.30 0.02 0.00 0.00 175.26 172.65