#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s9y s SER 2 N 0.00 5.43 0.06 1.61 0.01 -1.26 -3.79 113.70 115.75 1s9y s SER 2 Ca 0.00 2.04 -0.02 0.00 1.31 0.00 0.00 55.95 59.28 1s9y s SER 2 Cb 0.00 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 1s9y s SER 2 CO 0.00 -1.41 -0.01 -1.00 0.41 0.00 0.00 173.24 171.23 1s9y s HIS 3 N -2.14 0.50 0.06 2.43 0.09 -0.35 -4.97 115.29 110.91 1s9y s HIS 3 Ca 0.69 -1.03 -0.12 0.00 -0.00 0.00 0.00 55.06 54.59 1s9y s HIS 3 Cb -0.21 -0.36 0.02 0.00 -0.00 0.00 0.00 32.58 32.02 1s9y s HIS 3 CO 0.35 -0.40 0.28 -1.54 -0.00 0.00 0.00 174.74 173.43 1s9y s SER 4 N -2.92 -0.07 -0.09 1.40 1.04 -1.26 -0.47 113.70 111.34 1s9y s SER 4 Ca 0.08 -0.33 0.03 0.00 0.48 0.00 0.00 55.95 56.21 1s9y s SER 4 Cb 0.08 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.56 1s9y s SER 4 CO -0.10 -0.66 -0.19 -0.32 0.98 0.00 0.00 173.24 172.96 1s9y s MET 5 N -2.99 2.48 -0.01 4.02 -2.45 -0.66 -0.84 119.30 118.85 1s9y s MET 5 Ca -0.02 -0.68 -0.00 0.00 -1.25 0.00 0.00 55.69 53.74 1s9y s MET 5 Cb 0.01 -1.94 0.01 0.00 1.25 0.00 0.00 34.83 34.15 1s9y s MET 5 CO -0.06 0.09 0.02 1.03 1.05 0.00 0.00 175.02 177.15 1s9y s ARG 6 N 0.55 0.01 -0.08 4.11 0.52 0.38 -1.72 118.95 122.72 1s9y s ARG 6 Ca -0.15 0.07 0.02 0.00 -0.52 0.00 0.00 55.73 55.14 1s9y s ARG 6 Cb -0.17 -0.05 -0.02 0.00 0.52 0.00 0.00 34.95 35.23 1s9y s ARG 6 CO 0.05 -0.04 -0.13 0.71 0.02 0.00 0.00 175.30 175.91 1s9y s TYR 7 N 0.27 2.77 -0.07 -0.53 2.02 -0.47 0.63 117.35 121.97 1s9y s TYR 7 Ca -0.02 -0.27 0.04 0.00 -0.37 0.00 0.00 57.07 56.45 1s9y s TYR 7 Cb -0.03 -1.71 -0.00 0.00 -0.40 0.00 0.00 41.96 39.82 1s9y s TYR 7 CO -0.01 0.09 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.79 1s9y s PHE 8 N -0.41 2.15 -0.08 2.71 0.08 0.45 -2.40 117.98 120.49 1s9y s PHE 8 Ca 0.05 -0.74 0.02 0.00 0.12 0.00 0.00 56.93 56.38 1s9y s PHE 8 Cb -0.12 -1.44 0.01 0.00 -0.57 0.00 0.00 43.02 40.90 1s9y s PHE 8 CO 0.02 -0.27 -0.12 -0.06 -0.10 0.00 0.00 175.22 174.69 1s9y s PHE 9 N 0.16 1.50 -0.09 0.36 0.08 0.13 -0.96 117.98 119.16 1s9y s PHE 9 Ca -0.10 -0.60 0.02 0.00 0.12 0.00 0.00 56.93 56.38 1s9y s PHE 9 Cb -0.15 -1.12 0.01 0.00 -0.57 0.00 0.00 43.02 41.19 1s9y s PHE 9 CO 0.05 -0.33 -0.14 0.99 -0.10 0.00 0.00 175.22 175.69 1s9y s THR 10 N 0.83 1.36 -0.12 0.64 2.01 0.27 -0.41 115.64 120.21 1s9y s THR 10 Ca -0.11 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.32 1s9y s THR 10 Cb -0.15 -1.24 0.02 0.00 0.01 0.00 0.00 72.50 71.14 1s9y s THR 10 CO 0.02 0.41 -0.17 -0.44 -0.69 0.00 0.00 174.62 173.75 1s9y s SER 11 N 0.81 2.65 -0.18 3.53 0.01 0.08 -0.61 113.70 119.98 1s9y s SER 11 Ca -0.11 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 56.68 1s9y s SER 11 Cb -0.16 -1.19 0.03 0.00 0.21 0.00 0.00 66.02 64.91 1s9y s SER 11 CO 0.02 0.02 -0.15 -0.69 0.41 0.00 0.00 173.24 172.85 1s9y s VAL 12 N 1.04 1.79 0.40 3.43 1.01 -0.20 -0.80 120.40 127.08 1s9y s VAL 12 Ca -0.04 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 60.78 1s9y s VAL 12 Cb -0.15 -1.72 -0.08 0.00 0.00 0.00 0.00 36.38 34.42 1s9y s VAL 12 CO -0.03 0.37 1.11 -0.94 0.00 0.00 0.00 175.10 175.61 1s9y s SER 13 N 1.37 6.59 -0.45 3.32 1.04 -0.66 -0.43 113.70 124.49 1s9y s SER 13 Ca 0.02 2.20 0.09 0.00 0.48 0.00 0.00 55.95 58.75 1s9y s SER 13 Cb -0.14 -2.60 0.33 0.00 0.10 0.00 0.00 66.02 63.71 1s9y s SER 13 CO -0.10 -0.62 0.77 0.54 0.98 0.00 0.00 173.24 174.82 1s9y n ARG 14 N -0.03 1.69 -1.68 4.02 1.74 -1.26 -4.26 116.66 116.88 1s9y n ARG 14 Ca 0.05 -3.86 -0.58 0.00 -0.77 0.00 0.00 57.85 52.68 1s9y n ARG 14 Cb 0.48 -1.84 -0.08 0.00 -1.02 0.00 0.00 32.46 30.00 1s9y n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1s9y n PRO 15 N 0.27 0.85 -0.94 5.56 -0.02 -1.26 -0.52 135.00 138.93 1s9y n PRO 15 Ca 0.27 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1s9y n PRO 15 Cb 0.56 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1s9y n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s9y n GLY 16 N 3.61 0.50 0.00 -1.23 0.00 -1.26 -4.80 105.19 102.00 1s9y n GLY 16 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1s9y n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s9y n ARG 17 N -1.90 3.21 0.00 1.61 1.74 0.32 -5.14 116.66 116.50 1s9y n ARG 17 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1s9y n ARG 17 Cb 0.09 -0.95 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 1s9y n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s9y n GLY 18 N 2.82 -0.56 3.74 -0.13 0.00 -0.89 -5.10 105.19 105.08 1s9y n GLY 18 Ca 0.00 -1.13 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 1s9y n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s9y s GLU 19 N -2.00 2.87 0.37 1.61 2.02 -1.26 -4.24 118.70 118.06 1s9y s GLU 19 Ca 0.00 1.98 -0.28 0.00 0.02 0.00 0.00 54.97 56.70 1s9y s GLU 19 Cb 0.00 -1.97 -0.12 0.00 0.10 0.00 0.00 34.13 32.15 1s9y s GLU 19 CO 0.00 -1.33 1.35 -0.35 0.02 0.00 0.00 175.26 174.95 1s9y n PRO 20 N -1.57 2.26 -2.27 0.39 -0.04 -1.26 -4.64 135.00 127.87 1s9y n PRO 20 Ca 0.14 0.79 -0.42 0.00 -0.04 0.00 0.00 63.50 63.97 1s9y n PRO 20 Cb 0.48 -2.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.48 1s9y n PRO 20 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1s9y s ARG 21 N -2.00 4.25 -0.15 0.54 6.06 0.43 -4.80 118.95 123.28 1s9y s ARG 21 Ca 0.56 1.88 0.00 0.00 -2.50 0.00 0.00 55.73 55.67 1s9y s ARG 21 Cb -0.53 -3.72 -0.01 0.00 0.06 0.00 0.00 34.95 30.75 1s9y s ARG 21 CO 0.62 -0.66 -0.14 0.12 -2.50 0.00 0.00 175.30 172.74 1s9y s PHE 22 N 3.08 2.79 -0.06 5.12 5.36 -1.26 -1.03 117.98 131.98 1s9y s PHE 22 Ca 0.62 -0.91 -0.01 0.00 -0.96 0.00 0.00 56.93 55.67 1s9y s PHE 22 Cb -0.28 -1.88 0.03 0.00 -0.34 0.00 0.00 43.02 40.55 1s9y s PHE 22 CO 0.23 -0.40 -0.02 0.42 -1.46 0.00 0.00 175.22 173.99 1s9y s ILE 23 N 0.69 0.46 -0.02 3.12 1.01 0.22 -1.86 121.20 124.83 1s9y s ILE 23 Ca -0.07 0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.67 1s9y s ILE 23 Cb -0.16 -0.57 -0.02 0.00 0.01 0.00 0.00 42.46 41.73 1s9y s ILE 23 CO 0.02 0.25 -0.23 0.00 0.00 0.00 0.00 174.94 174.98 1s9y s ALA 24 N 1.61 1.90 0.01 9.38 0.00 -0.70 -0.56 121.76 133.40 1s9y s ALA 24 Ca -0.00 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.99 1s9y s ALA 24 Cb -0.13 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 1s9y s ALA 24 CO -0.04 0.46 -0.05 0.14 0.00 0.00 0.00 175.76 176.27 1s9y s VAL 25 N -0.50 0.38 0.02 0.00 -7.23 -0.14 -1.32 120.40 111.61 1s9y s VAL 25 Ca 0.08 -0.48 0.06 0.00 -1.81 0.00 0.00 61.98 59.83 1s9y s VAL 25 Cb -0.09 -0.38 -0.03 0.00 0.56 0.00 0.00 36.38 36.44 1s9y s VAL 25 CO -0.01 -0.08 -0.17 -0.83 -0.31 0.00 0.00 175.10 173.71 1s9y s GLY 26 N -0.60 1.56 0.04 2.32 0.00 -0.54 -0.41 107.32 109.69 1s9y s GLY 26 Ca -0.03 -1.14 0.02 0.00 0.00 0.00 0.00 44.72 43.57 1s9y s GLY 26 CO -0.00 -1.01 -0.08 -0.19 0.00 0.00 0.00 173.10 171.82 1s9y s TYR 27 N -0.88 0.69 -0.21 1.90 1.51 0.21 -1.68 117.35 118.88 1s9y s TYR 27 Ca 0.14 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1s9y s TYR 27 Cb -0.11 -0.41 0.06 0.00 -0.11 0.00 0.00 41.96 41.39 1s9y s TYR 27 CO 0.04 -0.07 -0.05 0.08 -1.11 0.00 0.00 175.55 174.45 1s9y s VAL 28 N -1.28 1.33 0.00 0.71 1.01 -0.01 -0.47 120.40 121.70 1s9y s VAL 28 Ca -0.09 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1s9y s VAL 28 Cb -0.09 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1s9y s VAL 28 CO 0.00 -0.05 0.00 0.47 0.00 0.00 0.00 175.10 175.53 1s9y n ASP 29 N 4.76 0.00 -1.66 3.32 8.00 -0.02 -0.57 116.55 130.37 1s9y n ASP 29 Ca -0.12 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.45 1s9y n ASP 29 Cb 0.45 0.00 0.35 0.00 -0.02 0.00 0.00 41.12 41.91 1s9y n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1s9y n ASP 30 N 4.24 4.97 -4.33 -2.24 8.00 -1.26 -4.85 116.55 121.08 1s9y n ASP 30 Ca 0.00 -2.69 -0.37 0.00 0.71 0.00 0.00 54.79 52.44 1s9y n ASP 30 Cb 0.00 -0.63 -0.13 0.00 -0.02 0.00 0.00 41.12 40.34 1s9y n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1s9y s THR 31 N -2.33 3.80 0.14 -3.53 2.01 0.27 -5.00 115.64 110.99 1s9y s THR 31 Ca 0.48 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.49 1s9y s THR 31 Cb 0.35 -2.93 -0.07 0.00 0.01 0.00 0.00 72.50 69.87 1s9y s THR 31 CO 0.17 0.14 1.04 -1.58 -0.69 0.00 0.00 174.62 173.70 1s9y s GLN 32 N 1.48 4.63 0.00 4.92 0.74 -1.26 -0.83 119.66 129.34 1s9y s GLN 32 Ca 0.03 1.60 0.00 0.00 0.05 0.00 0.00 55.36 57.03 1s9y s GLN 32 Cb -0.17 -3.33 0.00 0.00 1.10 0.00 0.00 33.01 30.61 1s9y s GLN 32 CO 0.01 0.12 0.00 1.97 -0.55 0.00 0.00 175.29 176.84 1s9y n PHE 33 N 2.67 0.00 -3.95 1.67 1.16 -0.68 -3.78 117.46 114.55 1s9y n PHE 33 Ca 0.03 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.52 1s9y n PHE 33 Cb 0.48 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.25 1s9y n PHE 33 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 1s9y s VAL 34 N -1.90 0.14 -0.05 1.97 -7.23 -1.24 0.30 120.40 112.38 1s9y s VAL 34 Ca 0.00 -1.16 -0.17 0.00 -1.81 0.00 0.00 61.98 58.84 1s9y s VAL 34 Cb 0.00 -0.89 0.03 0.00 0.56 0.00 0.00 36.38 36.08 1s9y s VAL 34 CO 0.00 -0.64 0.40 0.00 -0.31 0.00 0.00 175.10 174.55 1s9y s ARG 35 N -2.63 0.70 -0.05 4.82 1.04 -0.26 -1.46 118.95 121.11 1s9y s ARG 35 Ca -0.05 0.05 0.01 0.00 -1.04 0.00 0.00 55.73 54.70 1s9y s ARG 35 Cb -0.01 0.32 0.02 0.00 -2.04 0.00 0.00 34.95 33.24 1s9y s ARG 35 CO -0.05 -0.18 -0.06 0.12 -0.04 0.00 0.00 175.30 175.09 1s9y s PHE 36 N -0.97 0.88 -0.17 5.89 5.36 -0.43 -0.07 117.98 128.45 1s9y s PHE 36 Ca -0.10 -0.27 -0.02 0.00 -0.96 0.00 0.00 56.93 55.58 1s9y s PHE 36 Cb -0.04 -0.75 0.05 0.00 -0.34 0.00 0.00 43.02 41.95 1s9y s PHE 36 CO 0.04 -0.22 -0.00 0.34 -1.46 0.00 0.00 175.22 173.93 1s9y s ASP 37 N 0.92 2.81 0.61 6.13 -1.08 -1.26 -1.72 116.67 123.08 1s9y s ASP 37 Ca -0.11 -0.72 0.28 0.00 -0.52 0.00 0.00 52.55 51.48 1s9y s ASP 37 Cb -0.14 -0.72 1.52 0.00 -1.46 0.00 0.00 42.92 42.12 1s9y s ASP 37 CO 0.00 -0.25 1.84 0.77 0.52 0.00 0.00 175.17 178.05 1s9y h SER 38 N 8.19 0.00 0.33 -0.34 4.64 -1.76 0.12 113.55 124.73 1s9y h SER 38 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1s9y h SER 38 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1s9y h SER 38 CO 0.35 0.00 -0.81 0.47 -0.87 0.00 0.00 176.83 175.97 1s9y n ASP 39 N -2.76 0.68 -4.78 4.97 8.00 -1.26 -4.96 116.55 116.44 1s9y n ASP 39 Ca -0.02 -0.47 -0.30 0.00 0.71 0.00 0.00 54.79 54.71 1s9y n ASP 39 Cb 0.35 0.64 0.10 0.00 -0.02 0.00 0.00 41.12 42.19 1s9y n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s9y s ALA 40 N -3.06 2.15 0.18 2.24 0.00 0.41 -4.99 121.76 118.69 1s9y s ALA 40 Ca 0.08 -0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.06 1s9y s ALA 40 Cb 0.16 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.12 1s9y s ALA 40 CO 0.78 -1.80 1.40 0.00 0.00 0.00 0.00 175.76 176.15 1s9y h ALA 41 N -1.14 0.58 -0.17 0.00 0.00 -1.93 -3.34 119.26 113.26 1s9y h ALA 41 Ca -0.47 -0.77 -0.14 0.00 0.00 0.00 0.00 54.91 53.54 1s9y h ALA 41 Cb 1.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1s9y h ALA 41 CO 0.57 1.05 -0.48 0.66 0.00 0.00 0.00 179.25 181.05 1s9y h SER 42 N 0.01 0.49 -4.57 0.00 4.64 -1.94 -3.46 113.55 108.71 1s9y h SER 42 Ca -0.01 -0.24 -0.40 0.00 -0.47 0.00 0.00 61.79 60.67 1s9y h SER 42 Cb 1.51 -0.14 0.03 0.00 -0.31 0.00 0.00 62.40 63.50 1s9y h SER 42 CO 0.11 0.89 -0.59 0.00 -0.87 0.00 0.00 176.83 176.37 1s9y n GLN 43 N -3.98 -4.47 -4.19 4.77 1.13 -1.26 -4.97 117.38 104.41 1s9y n GLN 43 Ca -0.02 0.84 -0.11 0.00 -1.94 0.00 0.00 57.00 55.76 1s9y n GLN 43 Cb 0.55 -5.66 -0.10 0.00 0.11 0.00 0.00 30.24 25.14 1s9y n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1s9y s ARG 44 N -5.72 0.92 0.13 -1.09 0.52 -1.26 -5.03 118.95 107.43 1s9y s ARG 44 Ca 0.30 -1.40 -0.31 0.00 -0.52 0.00 0.00 55.73 53.80 1s9y s ARG 44 Cb -0.14 -0.17 -0.07 0.00 0.52 0.00 0.00 34.95 35.09 1s9y s ARG 44 CO 0.37 -0.08 1.28 1.41 0.02 0.00 0.00 175.30 178.31 1s9y s MET 45 N -3.88 4.40 0.21 3.54 -2.45 -1.26 -4.70 119.30 115.16 1s9y s MET 45 Ca 0.17 1.95 0.09 0.00 -1.25 0.00 0.00 55.69 56.64 1s9y s MET 45 Cb 0.06 -3.26 -0.04 0.00 1.25 0.00 0.00 34.83 32.83 1s9y s MET 45 CO -0.02 -0.28 -0.03 -1.21 1.05 0.00 0.00 175.02 174.53 1s9y s GLU 46 N 0.58 2.26 0.30 4.11 2.02 0.89 -4.88 118.70 123.98 1s9y s GLU 46 Ca 0.59 -1.27 -0.25 0.00 0.02 0.00 0.00 54.97 54.07 1s9y s GLU 46 Cb -0.34 -2.23 -0.10 0.00 0.10 0.00 0.00 34.13 31.57 1s9y s GLU 46 CO 0.33 0.42 0.90 -1.25 0.02 0.00 0.00 175.26 175.67 1s9y s PRO 47 N -3.17 4.53 0.00 0.39 0.04 -1.26 -1.10 135.00 134.43 1s9y s PRO 47 Ca 0.28 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1s9y s PRO 47 Cb -0.08 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1s9y s PRO 47 CO 0.18 0.31 0.10 0.54 0.04 0.00 0.00 177.00 178.17 1s9y n ARG 48 N 0.63 -0.11 -4.35 4.56 5.12 0.15 -4.81 116.66 117.84 1s9y n ARG 48 Ca 0.01 -0.10 -0.22 0.00 -1.93 0.00 0.00 57.85 55.61 1s9y n ARG 48 Cb 0.50 -0.58 -0.16 0.00 -1.16 0.00 0.00 32.46 31.06 1s9y n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1s9y s ALA 49 N -0.01 0.91 0.24 7.54 0.00 -1.18 -4.67 121.76 124.59 1s9y s ALA 49 Ca 0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 51.96 51.66 1s9y s ALA 49 Cb 0.00 -0.46 0.37 0.00 0.00 0.00 0.00 23.12 23.03 1s9y s ALA 49 CO 0.00 0.06 1.62 -1.35 0.00 0.00 0.00 175.76 176.09 1s9y h PRO 50 N 7.01 0.05 0.00 0.00 0.11 -1.93 -1.44 132.00 135.80 1s9y h PRO 50 Ca -0.35 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1s9y h PRO 50 Cb 1.17 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1s9y h PRO 50 CO 0.48 0.04 0.00 -2.67 -0.21 0.00 0.00 178.00 175.63 1s9y n TRP 51 N -5.40 0.70 0.44 0.65 4.27 -1.26 -1.99 117.44 114.85 1s9y n TRP 51 Ca 0.12 0.33 0.13 0.00 -3.89 0.00 0.00 57.50 54.19 1s9y n TRP 51 Cb 0.43 -1.03 0.46 0.00 -1.36 0.00 0.00 31.31 29.81 1s9y n TRP 51 CO 0.00 0.00 0.00 0.97 -2.29 0.00 0.00 177.69 176.37 1s9y h ILE 52 N 0.00 0.00 0.00 -1.67 6.09 -1.60 -2.14 117.51 118.18 1s9y h ILE 52 Ca 0.00 -0.44 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 1s9y h ILE 52 Cb 0.14 1.34 0.00 0.00 0.47 0.00 0.00 36.82 38.77 1s9y h ILE 52 CO 0.00 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 174.46 1s9y n GLU 53 N -2.48 0.16 0.00 2.19 -0.58 -0.84 -1.93 120.64 117.17 1s9y n GLU 53 Ca 0.03 0.16 0.09 0.00 -0.42 0.00 0.00 57.16 57.02 1s9y n GLU 53 Cb 0.34 -1.50 0.42 0.00 -0.57 0.00 0.00 31.44 30.13 1s9y n GLU 53 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1s9y n GLN 54 N -1.35 0.02 -2.82 3.49 6.02 -0.81 -4.74 117.38 117.19 1s9y n GLN 54 Ca 0.07 0.16 -0.32 0.00 -0.01 0.00 0.00 57.00 56.90 1s9y n GLN 54 Cb 0.15 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.87 1s9y n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1s9y s GLU 55 N -2.97 3.95 0.85 -1.09 0.41 -0.81 -5.08 118.70 113.96 1s9y s GLU 55 Ca 0.10 0.73 -0.08 0.00 -0.41 0.00 0.00 54.97 55.32 1s9y s GLU 55 Cb 0.13 -2.31 0.18 0.00 -1.78 0.00 0.00 34.13 30.35 1s9y s GLU 55 CO 0.35 -0.04 1.17 0.20 -0.49 0.00 0.00 175.26 176.45 1s9y s GLY 56 N -2.75 1.78 0.36 -1.39 0.00 -1.26 -4.94 107.32 99.12 1s9y s GLY 56 Ca 0.55 -1.61 0.10 0.00 0.00 0.00 0.00 44.72 43.76 1s9y s GLY 56 CO 0.25 -0.90 1.86 -2.55 0.00 0.00 0.00 173.10 171.76 1s9y h PRO 57 N -1.11 0.65 0.00 2.90 0.11 -1.98 -1.35 132.00 131.22 1s9y h PRO 57 Ca -0.39 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.62 1s9y h PRO 57 Cb 1.24 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1s9y h PRO 57 CO 0.35 0.43 -0.32 0.93 -0.21 0.00 0.00 178.00 179.18 1s9y h GLU 58 N 0.67 0.00 -0.06 1.05 5.08 -1.99 -2.38 114.58 116.94 1s9y h GLU 58 Ca 0.46 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1s9y h GLU 58 Cb 0.77 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1s9y h GLU 58 CO -0.21 0.32 0.03 -0.92 -1.00 0.00 0.00 179.01 177.23 1s9y h TYR 59 N 0.00 0.09 -0.36 4.33 3.20 -1.60 -1.59 116.97 121.04 1s9y h TYR 59 Ca -0.00 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 1s9y h TYR 59 Cb 0.57 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1s9y h TYR 59 CO 0.00 0.18 -0.05 -1.49 -1.64 0.00 0.00 178.16 175.16 1s9y h TRP 60 N -0.04 0.62 -0.41 -3.82 4.06 -1.52 0.53 115.95 115.37 1s9y h TRP 60 Ca 0.02 -0.08 -0.10 0.00 2.06 0.00 0.00 58.89 60.79 1s9y h TRP 60 Cb 0.13 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.11 1s9y h TRP 60 CO -0.03 0.63 -0.14 -0.44 -3.56 0.00 0.00 178.44 174.90 1s9y h ASP 61 N 0.55 0.83 -0.15 -3.49 3.32 -1.25 -2.06 116.42 114.16 1s9y h ASP 61 Ca 0.11 -0.38 -0.13 0.00 0.02 0.00 0.00 57.03 56.65 1s9y h ASP 61 Cb 0.43 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1s9y h ASP 61 CO 0.02 1.03 -0.42 1.23 -1.72 0.00 0.00 179.24 179.38 1s9y h GLY 62 N 0.64 0.61 1.62 2.75 0.00 -1.01 -2.13 103.07 105.54 1s9y h GLY 62 Ca 0.10 -0.77 -0.08 0.00 0.00 0.00 0.00 47.33 46.58 1s9y h GLY 62 CO 0.05 0.69 -0.19 0.83 0.00 0.00 0.00 176.54 177.91 1s9y h GLU 63 N 0.19 0.45 -0.09 4.80 4.39 -0.95 0.11 114.58 123.50 1s9y h GLU 63 Ca -0.01 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 1s9y h GLU 63 Cb 1.03 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1s9y h GLU 63 CO 0.09 0.63 -0.01 1.15 -1.16 0.00 0.00 179.01 179.71 1s9y h THR 64 N 0.41 1.27 0.32 1.13 2.02 -1.38 0.52 112.91 117.20 1s9y h THR 64 Ca 0.07 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 1s9y h THR 64 Cb 0.58 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 1s9y h THR 64 CO 0.04 0.24 -0.21 -0.09 0.37 0.00 0.00 175.52 175.87 1s9y h ARG 65 N -0.15 -0.50 -0.67 6.66 2.43 -1.15 -1.07 114.38 119.93 1s9y h ARG 65 Ca 0.02 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 1s9y h ARG 65 Cb 0.38 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.00 1s9y h ARG 65 CO 0.01 -0.33 0.40 0.87 -1.51 0.00 0.00 179.97 179.41 1s9y h LYS 66 N -0.52 0.75 0.00 0.20 1.57 -0.77 -1.61 116.57 116.19 1s9y h LYS 66 Ca -0.03 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1s9y h LYS 66 Cb 0.44 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1s9y h LYS 66 CO 0.02 0.50 -0.22 -0.24 -0.57 0.00 0.00 179.45 178.93 1s9y h VAL 67 N 0.77 0.98 -0.03 0.50 3.04 -0.69 -1.86 116.25 118.96 1s9y h VAL 67 Ca 0.28 -0.81 -0.19 0.00 -1.01 0.00 0.00 66.70 64.97 1s9y h VAL 67 Cb 0.08 1.46 -0.01 0.00 -2.01 0.00 0.00 31.29 30.81 1s9y h VAL 67 CO -0.13 0.22 -0.82 0.11 -1.01 0.00 0.00 177.57 175.93 1s9y h LYS 68 N 0.00 0.29 -0.47 4.17 1.57 -0.30 -2.46 116.57 119.37 1s9y h LYS 68 Ca -0.00 -0.28 -0.08 0.00 -1.87 0.00 0.00 60.65 58.41 1s9y h LYS 68 Cb 0.44 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1s9y h LYS 68 CO 0.03 0.96 -0.05 0.00 -0.57 0.00 0.00 179.45 179.82 1s9y h ALA 69 N 0.94 1.03 -0.67 3.86 0.00 -0.74 -0.23 119.26 123.46 1s9y h ALA 69 Ca -0.04 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 1s9y h ALA 69 Cb 1.42 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1s9y h ALA 69 CO 0.13 0.59 0.12 0.45 0.00 0.00 0.00 179.25 180.54 1s9y h HIS 70 N 0.74 1.17 -0.24 0.00 3.86 -1.20 -1.44 115.15 118.04 1s9y h HIS 70 Ca 0.13 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1s9y h HIS 70 Cb 0.52 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 1s9y h HIS 70 CO 0.03 0.98 0.12 1.03 0.86 0.00 0.00 177.93 180.94 1s9y h SER 71 N 1.03 0.32 -0.05 2.45 0.87 -0.96 -0.83 113.55 116.39 1s9y h SER 71 Ca 0.20 -0.13 0.03 0.00 -1.23 0.00 0.00 61.79 60.67 1s9y h SER 71 Cb 0.43 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 1s9y h SER 71 CO 0.01 0.35 -0.13 1.56 -0.53 0.00 0.00 176.83 178.10 1s9y h GLN 72 N 0.26 -0.19 -0.30 2.24 4.20 -0.70 -0.09 115.11 120.53 1s9y h GLN 72 Ca 0.08 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.87 1s9y h GLN 72 Cb 0.12 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.88 1s9y h GLN 72 CO -0.01 -0.12 -0.09 1.15 -0.67 0.00 0.00 178.83 179.09 1s9y h THR 73 N -0.19 0.67 -0.89 -0.54 2.02 -1.11 -1.22 112.91 111.65 1s9y h THR 73 Ca 0.06 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.31 1s9y h THR 73 Cb 0.28 0.67 -0.07 0.00 -1.74 0.00 0.00 68.15 67.29 1s9y h THR 73 CO -0.16 0.00 0.55 0.45 0.37 0.00 0.00 175.52 176.73 1s9y h HIS 74 N -0.02 1.02 -0.48 3.16 3.86 -0.70 -0.62 115.15 121.37 1s9y h HIS 74 Ca 0.15 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1s9y h HIS 74 Cb 0.24 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 1s9y h HIS 74 CO -0.30 0.50 0.31 -0.09 0.86 0.00 0.00 177.93 179.21 1s9y h ARG 75 N 0.98 0.64 -0.41 2.45 2.43 0.11 -1.34 114.38 119.24 1s9y h ARG 75 Ca 0.40 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.49 1s9y h ARG 75 Cb 0.22 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1s9y h ARG 75 CO -0.19 0.43 0.13 0.28 -1.51 0.00 0.00 179.97 179.11 1s9y h VAL 76 N 0.65 1.22 -0.70 0.20 2.07 -0.65 -2.91 116.25 116.14 1s9y h VAL 76 Ca 0.18 -0.72 0.05 0.00 0.82 0.00 0.00 66.70 67.03 1s9y h VAL 76 Cb -0.06 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1s9y h VAL 76 CO -0.04 0.25 0.46 0.44 0.02 0.00 0.00 177.57 178.71 1s9y h ASP 77 N 0.51 0.67 -0.49 0.57 3.32 -0.76 -0.77 116.42 119.47 1s9y h ASP 77 Ca 0.13 -0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.24 1s9y h ASP 77 Cb 0.26 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 1s9y h ASP 77 CO -0.00 0.45 0.18 -0.07 -1.72 0.00 0.00 179.24 178.08 1s9y h LEU 78 N 0.77 0.20 0.38 1.55 3.38 -1.04 0.28 115.31 120.82 1s9y h LEU 78 Ca 0.29 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 1s9y h LEU 78 Cb 0.18 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1s9y h LEU 78 CO -0.09 0.14 -0.18 1.23 0.09 0.00 0.00 178.44 179.63 1s9y h GLY 79 N 0.36 -0.53 0.02 0.83 0.00 -1.30 -2.02 103.07 100.43 1s9y h GLY 79 Ca 0.23 0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.82 1s9y h GLY 79 CO -0.23 -0.19 -0.33 -0.84 0.00 0.00 0.00 176.54 174.95 1s9y h THR 80 N -0.75 0.26 -0.87 4.70 2.02 -0.83 -1.40 112.91 116.04 1s9y h THR 80 Ca -0.05 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1s9y h THR 80 Cb 0.51 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1s9y h THR 80 CO 0.09 0.00 0.53 -0.07 0.37 0.00 0.00 175.52 176.44 1s9y h LEU 81 N -0.34 1.04 -0.40 2.58 3.38 -0.52 -0.79 115.31 120.27 1s9y h LEU 81 Ca 0.13 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1s9y h LEU 81 Cb 0.54 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1s9y h LEU 81 CO -0.43 0.79 0.10 -0.09 0.09 0.00 0.00 178.44 178.90 1s9y h ARG 82 N 1.20 0.23 -0.08 1.13 2.43 -0.55 -1.45 114.38 117.30 1s9y h ARG 82 Ca 0.31 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1s9y h ARG 82 Cb -0.06 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1s9y h ARG 82 CO -0.06 0.15 0.04 0.78 -1.51 0.00 0.00 179.97 179.37 1s9y h GLY 83 N 0.24 0.12 -0.20 2.80 0.00 -0.69 0.18 103.07 105.52 1s9y h GLY 83 Ca 0.19 -0.06 0.15 0.00 0.00 0.00 0.00 47.33 47.61 1s9y h GLY 83 CO -0.23 0.06 0.04 -0.97 0.00 0.00 0.00 176.54 175.44 1s9y h TYR 84 N 0.00 0.02 -0.31 5.60 0.05 -0.59 0.78 116.97 122.52 1s9y h TYR 84 Ca 0.03 0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.86 1s9y h TYR 84 Cb 0.12 0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.96 1s9y h TYR 84 CO -0.03 -0.19 0.00 0.66 -1.05 0.00 0.00 178.16 177.55 1s9y n TYR 85 N -5.29 0.59 -4.39 4.88 4.01 -0.60 -4.92 117.16 111.44 1s9y n TYR 85 Ca 0.12 -0.25 -0.36 0.00 -0.16 0.00 0.00 57.90 57.26 1s9y n TYR 85 Cb 0.43 -0.09 -0.09 0.00 -0.31 0.00 0.00 39.34 39.29 1s9y n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1s9y n ASN 86 N 0.41 -0.27 -4.94 7.72 5.15 0.27 -4.94 115.26 118.66 1s9y n ASN 86 Ca 0.11 -1.25 -0.24 0.00 -0.60 0.00 0.00 54.58 52.60 1s9y n ASN 86 Cb 0.39 -1.68 0.01 0.00 -0.53 0.00 0.00 39.78 37.98 1s9y n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1s9y s GLN 87 N -7.29 3.10 0.37 1.20 -0.21 -0.06 -5.01 119.66 111.77 1s9y s GLN 87 Ca 0.34 -0.33 -0.25 0.00 0.02 0.00 0.00 55.36 55.14 1s9y s GLN 87 Cb -0.20 -2.50 -0.09 0.00 1.00 0.00 0.00 33.01 31.23 1s9y s GLN 87 CO 1.01 -0.32 1.09 -1.54 -2.12 0.00 0.00 175.29 173.41 1s9y s SER 88 N -4.21 6.80 0.00 5.90 1.04 -1.26 -4.75 113.70 117.22 1s9y s SER 88 Ca 0.49 2.16 0.14 0.00 0.48 0.00 0.00 55.95 59.22 1s9y s SER 88 Cb -0.10 -2.60 0.66 0.00 0.10 0.00 0.00 66.02 64.08 1s9y s SER 88 CO 0.40 -0.47 1.39 -0.62 0.98 0.00 0.00 173.24 174.92 1s9y n GLU 89 N 0.23 0.14 0.04 4.02 1.02 -1.26 -3.36 120.64 121.47 1s9y n GLU 89 Ca 0.04 0.19 -0.21 0.00 -0.02 0.00 0.00 57.16 57.15 1s9y n GLU 89 Cb 0.48 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.25 1s9y n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s9y h ALA 90 N 2.60 0.04 -2.60 0.62 0.00 -1.95 -3.45 119.26 114.53 1s9y h ALA 90 Ca 0.00 -0.92 -0.52 0.00 0.00 0.00 0.00 54.91 53.47 1s9y h ALA 90 Cb 0.16 0.31 0.12 0.00 0.00 0.00 0.00 17.79 18.38 1s9y h ALA 90 CO 0.00 0.66 0.40 0.20 0.00 0.00 0.00 179.25 180.51 1s9y s GLY 91 N -4.74 2.34 -0.05 0.00 0.00 -1.21 -4.61 107.32 99.04 1s9y s GLY 91 Ca -0.16 0.75 -0.22 0.00 0.00 0.00 0.00 44.72 45.08 1s9y s GLY 91 CO 0.82 1.13 0.65 -0.45 0.00 0.00 0.00 173.10 175.25 1s9y s SER 92 N -2.19 6.96 0.08 1.64 0.15 -1.26 -4.75 113.70 114.33 1s9y s SER 92 Ca 0.71 1.16 0.05 0.00 0.70 0.00 0.00 55.95 58.57 1s9y s SER 92 Cb -0.25 -2.39 -0.03 0.00 -1.71 0.00 0.00 66.02 61.64 1s9y s SER 92 CO 0.41 -0.04 -0.13 -1.00 1.20 0.00 0.00 173.24 173.67 1s9y s HIS 93 N 0.50 1.17 0.07 3.44 3.76 -1.26 -4.95 115.29 118.02 1s9y s HIS 93 Ca 0.35 -0.51 0.06 0.00 -0.15 0.00 0.00 55.06 54.81 1s9y s HIS 93 Cb -0.18 -0.65 -0.04 0.00 1.11 0.00 0.00 32.58 32.83 1s9y s HIS 93 CO 0.17 0.05 -0.09 0.99 -0.85 0.00 0.00 174.74 175.01 1s9y s THR 94 N -1.60 3.44 -0.07 1.30 2.01 -1.26 -1.66 115.64 117.80 1s9y s THR 94 Ca 0.00 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 60.88 1s9y s THR 94 Cb -0.08 -2.57 0.02 0.00 0.01 0.00 0.00 72.50 69.88 1s9y s THR 94 CO 0.02 0.20 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.40 1s9y s VAL 95 N -1.15 0.73 -0.03 3.82 1.01 0.02 -1.09 120.40 123.71 1s9y s VAL 95 Ca 0.20 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.08 1s9y s VAL 95 Cb -0.11 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 1s9y s VAL 95 CO 0.12 0.29 -0.23 -1.10 0.00 0.00 0.00 175.10 174.19 1s9y s GLN 96 N 1.34 1.99 0.02 2.72 -0.21 -0.87 -0.74 119.66 123.91 1s9y s GLN 96 Ca -0.03 -0.81 0.02 0.00 0.02 0.00 0.00 55.36 54.56 1s9y s GLN 96 Cb -0.14 -1.83 -0.02 0.00 1.00 0.00 0.00 33.01 32.02 1s9y s GLN 96 CO -0.03 0.44 -0.08 0.50 -2.12 0.00 0.00 175.29 174.00 1s9y s ARG 97 N -0.38 0.54 -0.15 2.91 3.52 0.45 -0.09 118.95 125.75 1s9y s ARG 97 Ca 0.05 -0.54 -0.09 0.00 -0.13 0.00 0.00 55.73 55.02 1s9y s ARG 97 Cb -0.10 -0.42 0.05 0.00 -1.56 0.00 0.00 34.95 32.92 1s9y s ARG 97 CO 0.00 0.10 0.36 1.41 -0.81 0.00 0.00 175.30 176.37 1s9y s MET 98 N -0.96 0.35 0.10 5.12 1.75 -0.34 0.21 119.30 125.52 1s9y s MET 98 Ca -0.04 0.68 -0.12 0.00 -1.25 0.00 0.00 55.69 54.96 1s9y s MET 98 Cb -0.07 -0.01 0.02 0.00 2.84 0.00 0.00 34.83 37.61 1s9y s MET 98 CO 0.00 -0.14 0.29 1.52 -0.65 0.00 0.00 175.02 176.04 1s9y s TYR 99 N 1.17 -0.03 -2.26 4.11 -0.85 -1.01 0.46 117.35 118.94 1s9y s TYR 99 Ca -0.08 -0.31 0.00 0.00 -0.52 0.00 0.00 57.07 56.16 1s9y s TYR 99 Cb -0.08 0.09 0.00 0.00 0.38 0.00 0.00 41.96 42.35 1s9y s TYR 99 CO -0.10 -0.60 0.00 0.41 -1.52 0.00 0.00 175.55 173.75 1s9y n GLY 100 N -0.02 -1.49 3.09 5.49 0.00 -0.75 -1.37 105.19 110.14 1s9y n GLY 100 Ca -0.16 -1.04 -0.08 0.00 0.00 0.00 0.00 46.02 44.74 1s9y n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s9y s ASP 102 N -2.50 3.50 0.08 0.00 1.01 0.72 -1.65 116.67 117.83 1s9y s ASP 102 Ca 0.00 -0.38 0.06 0.00 0.71 0.00 0.00 52.55 52.94 1s9y s ASP 102 Cb 0.03 -0.55 -0.03 0.00 1.01 0.00 0.00 42.92 43.38 1s9y s ASP 102 CO -0.07 0.31 -0.17 0.68 0.21 0.00 0.00 175.17 176.13 1s9y s VAL 103 N -0.72 1.34 0.00 -1.27 -7.23 0.39 -0.16 120.40 112.76 1s9y s VAL 103 Ca 0.11 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 1s9y s VAL 103 Cb -0.10 -1.25 0.00 0.00 0.56 0.00 0.00 36.38 35.59 1s9y s VAL 103 CO 0.01 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 1s9y n GLY 104 N 1.31 -1.55 0.29 2.32 0.00 -0.50 -1.21 105.19 105.86 1s9y n GLY 104 Ca -0.20 -1.59 0.18 0.00 0.00 0.00 0.00 46.02 44.41 1s9y n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1s9y h SER 105 N -0.32 0.00 -0.20 1.61 0.02 -1.92 0.13 113.55 112.87 1s9y h SER 105 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1s9y h SER 105 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1s9y h SER 105 CO 0.00 0.03 0.00 -0.90 -1.14 0.00 0.00 176.83 174.82 1s9y n ASP 106 N -3.18 1.81 -2.76 3.07 5.68 -1.26 -4.90 116.55 115.01 1s9y n ASP 106 Ca -0.01 -1.76 -0.21 0.00 -0.50 0.00 0.00 54.79 52.32 1s9y n ASP 106 Cb 0.22 -0.13 0.03 0.00 -1.14 0.00 0.00 41.12 40.10 1s9y n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1s9y n TRP 107 N 0.43 -1.78 -4.22 2.11 7.02 0.03 -5.01 117.44 116.01 1s9y n TRP 107 Ca 0.16 0.47 -0.24 0.00 -1.02 0.00 0.00 57.50 56.86 1s9y n TRP 107 Cb 0.35 -4.22 -0.07 0.00 -2.42 0.00 0.00 31.31 24.95 1s9y n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1s9y s ARG 108 N -5.58 2.46 0.05 -0.99 0.52 -1.26 -4.81 118.95 109.33 1s9y s ARG 108 Ca 0.27 -1.21 -0.34 0.00 -0.52 0.00 0.00 55.73 53.94 1s9y s ARG 108 Cb -0.12 -2.33 -0.12 0.00 0.52 0.00 0.00 34.95 32.90 1s9y s ARG 108 CO 0.33 0.41 1.75 0.34 0.02 0.00 0.00 175.30 178.16 1s9y n PHE 109 N -0.58 2.34 -0.07 -0.53 -0.00 -1.26 -1.41 117.46 115.95 1s9y n PHE 109 Ca -0.08 0.09 -0.13 0.00 -0.00 0.00 0.00 57.45 57.32 1s9y n PHE 109 Cb 0.57 -2.62 -0.04 0.00 -0.00 0.00 0.00 39.48 37.38 1s9y n PHE 109 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1s9y n LEU 110 N 5.15 1.41 -3.50 -2.13 4.77 0.78 -4.84 117.00 118.65 1s9y n LEU 110 Ca 0.20 0.23 -0.12 0.00 -0.03 0.00 0.00 56.01 56.29 1s9y n LEU 110 Cb 0.30 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 1s9y n LEU 110 CO 0.68 0.01 0.33 0.00 -1.33 0.00 0.00 177.39 177.08 1s9y s ARG 111 N -2.43 1.18 0.26 3.23 1.70 -1.17 -4.99 118.95 116.73 1s9y s ARG 111 Ca -0.22 -0.43 0.05 0.00 -0.47 0.00 0.00 55.73 54.66 1s9y s ARG 111 Cb 0.06 0.54 -0.06 0.00 -0.57 0.00 0.00 34.95 34.93 1s9y s ARG 111 CO 0.29 -0.48 -0.02 0.20 -1.08 0.00 0.00 175.30 174.21 1s9y s GLY 112 N -2.52 1.73 -0.08 3.88 0.00 -1.26 -0.20 107.32 108.87 1s9y s GLY 112 Ca -0.00 -1.86 -0.30 0.00 0.00 0.00 0.00 44.72 42.55 1s9y s GLY 112 CO -0.09 -1.76 0.83 -2.52 0.00 0.00 0.00 173.10 169.56 1s9y s TYR 113 N -3.23 -0.50 -0.23 1.90 -0.85 -0.79 -4.86 117.35 108.78 1s9y s TYR 113 Ca 0.30 0.80 -0.03 0.00 -0.52 0.00 0.00 57.07 57.62 1s9y s TYR 113 Cb 0.05 0.44 0.12 0.00 0.38 0.00 0.00 41.96 42.96 1s9y s TYR 113 CO 0.11 -0.50 0.33 -1.58 -1.52 0.00 0.00 175.55 172.39 1s9y s HIS 114 N -1.44 -0.66 0.05 -3.49 2.46 -1.26 -1.81 115.29 109.15 1s9y s HIS 114 Ca -0.05 0.67 0.08 0.00 0.47 0.00 0.00 55.06 56.24 1s9y s HIS 114 Cb -0.00 -0.09 -0.03 0.00 -0.13 0.00 0.00 32.58 32.33 1s9y s HIS 114 CO 0.04 -0.67 -0.23 -0.65 -2.47 0.00 0.00 174.74 170.76 1s9y s GLN 115 N 2.48 1.88 -0.04 2.88 -0.21 0.17 -1.22 119.66 125.61 1s9y s GLN 115 Ca 0.11 -1.08 0.02 0.00 0.02 0.00 0.00 55.36 54.42 1s9y s GLN 115 Cb -0.15 -2.07 0.01 0.00 1.00 0.00 0.00 33.01 31.80 1s9y s GLN 115 CO -0.14 0.52 -0.07 -0.47 -2.12 0.00 0.00 175.29 173.00 1s9y s TYR 116 N -0.89 0.86 0.18 0.91 5.04 -0.34 -1.20 117.35 121.90 1s9y s TYR 116 Ca 0.13 -0.24 0.06 0.00 -2.44 0.00 0.00 57.07 54.59 1s9y s TYR 116 Cb -0.10 -0.68 -0.05 0.00 0.35 0.00 0.00 41.96 41.49 1s9y s TYR 116 CO 0.04 -0.15 -0.12 0.00 -1.34 0.00 0.00 175.55 173.98 1s9y s ALA 117 N 0.57 1.73 -0.12 3.97 0.00 0.88 -1.59 121.76 127.18 1s9y s ALA 117 Ca -0.08 -1.58 -0.02 0.00 0.00 0.00 0.00 51.96 50.28 1s9y s ALA 117 Cb -0.12 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.04 1s9y s ALA 117 CO 0.01 -0.02 0.02 -0.47 0.00 0.00 0.00 175.76 175.30 1s9y s TYR 118 N -3.16 0.72 -1.51 0.00 5.04 -0.63 -2.04 117.35 115.77 1s9y s TYR 118 Ca 0.20 -0.39 -0.06 0.00 -2.44 0.00 0.00 57.07 54.37 1s9y s TYR 118 Cb 0.01 -0.85 0.01 0.00 0.35 0.00 0.00 41.96 41.47 1s9y s TYR 118 CO 0.04 -0.43 0.78 -0.25 -1.34 0.00 0.00 175.55 174.35 1s9y n ASP 119 N 5.13 -6.20 -0.02 4.32 8.00 -0.25 -2.56 116.55 124.96 1s9y n ASP 119 Ca -0.08 -0.37 -0.00 0.00 0.71 0.00 0.00 54.79 55.05 1s9y n ASP 119 Cb 0.49 -4.97 -0.00 0.00 -0.02 0.00 0.00 41.12 36.62 1s9y n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s9y n GLY 120 N -1.67 0.46 3.14 0.44 0.00 -1.26 -5.02 105.19 101.28 1s9y n GLY 120 Ca -0.08 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 1s9y n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s9y s LYS 121 N -0.98 1.00 0.16 1.61 1.02 -1.06 -5.10 119.74 116.39 1s9y s LYS 121 Ca 0.00 -0.73 -0.34 0.00 0.02 0.00 0.00 55.97 54.93 1s9y s LYS 121 Cb 0.00 -1.01 -0.15 0.00 -0.52 0.00 0.00 37.83 36.15 1s9y s LYS 121 CO 0.00 0.26 1.36 -0.25 -0.92 0.00 0.00 175.35 175.79 1s9y n ASP 122 N 2.05 2.13 0.01 2.83 8.00 -1.26 -1.61 116.55 128.70 1s9y n ASP 122 Ca -0.17 1.12 -0.03 0.00 0.71 0.00 0.00 54.79 56.42 1s9y n ASP 122 Cb 0.55 -1.30 -0.01 0.00 -0.02 0.00 0.00 41.12 40.33 1s9y n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s9y n TYR 123 N 2.28 0.00 -3.69 1.24 9.36 -0.62 -4.70 117.16 121.03 1s9y n TYR 123 Ca 0.15 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.23 1s9y n TYR 123 Cb 0.26 -0.14 -0.08 0.00 -0.63 0.00 0.00 39.34 38.75 1s9y n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1s9y s ILE 124 N -2.17 0.02 -0.05 2.97 2.07 -0.94 -1.71 121.20 121.39 1s9y s ILE 124 Ca -0.07 -0.14 -0.11 0.00 -1.41 0.00 0.00 60.65 58.92 1s9y s ILE 124 Cb 0.02 -0.73 0.02 0.00 0.13 0.00 0.00 42.46 41.90 1s9y s ILE 124 CO 0.09 -0.08 0.26 0.00 -1.91 0.00 0.00 174.94 173.31 1s9y s ALA 125 N -0.51 -0.66 -0.09 1.50 0.00 -1.03 -1.20 121.76 119.77 1s9y s ALA 125 Ca -0.06 0.43 -0.29 0.00 0.00 0.00 0.00 51.96 52.03 1s9y s ALA 125 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 1s9y s ALA 125 CO 0.04 -0.20 0.98 -1.17 0.00 0.00 0.00 175.76 175.41 1s9y s LEU 126 N -0.74 4.27 0.94 0.00 2.96 -0.35 -0.87 118.68 124.88 1s9y s LEU 126 Ca -0.08 1.53 -0.12 0.00 -0.22 0.00 0.00 54.13 55.23 1s9y s LEU 126 Cb -0.04 -3.53 0.15 0.00 0.50 0.00 0.00 46.19 43.27 1s9y s LEU 126 CO 0.02 -0.40 1.12 -0.54 -1.32 0.00 0.00 176.35 175.24 1s9y s LYS 127 N 1.78 0.93 0.31 1.98 1.02 0.56 -4.47 119.74 121.86 1s9y s LYS 127 Ca 0.48 0.37 0.07 0.00 0.02 0.00 0.00 55.97 56.92 1s9y s LYS 127 Cb -0.19 -1.81 0.82 0.00 -0.52 0.00 0.00 37.83 36.14 1s9y s LYS 127 CO 0.20 -2.36 1.73 1.49 -0.92 0.00 0.00 175.35 175.49 1s9y h GLU 128 N -1.62 0.55 0.00 1.68 4.57 -1.89 -0.18 114.58 117.70 1s9y h GLU 128 Ca -0.52 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.63 1s9y h GLU 128 Cb 1.33 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1s9y h GLU 128 CO 0.60 0.36 0.00 -0.40 -1.18 0.00 0.00 179.01 178.40 1s9y n ASP 129 N -4.90 0.00 -2.27 1.04 5.68 -1.26 -4.79 116.55 110.04 1s9y n ASP 129 Ca 0.25 0.47 -0.19 0.00 -0.50 0.00 0.00 54.79 54.82 1s9y n ASP 129 Cb 0.69 -0.49 -0.00 0.00 -1.14 0.00 0.00 41.12 40.18 1s9y n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1s9y n LEU 130 N -1.49 -1.99 0.00 -2.12 4.77 -0.08 -4.83 117.00 111.27 1s9y n LEU 130 Ca 0.04 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1s9y n LEU 130 Cb 0.19 -2.74 0.00 0.00 -2.33 0.00 0.00 43.42 38.54 1s9y n LEU 130 CO 0.15 -0.13 0.00 0.54 -1.33 0.00 0.00 177.39 176.62 1s9y n ARG 131 N -2.98 1.48 -4.13 3.23 1.74 -1.26 -4.67 116.66 110.07 1s9y n ARG 131 Ca -0.21 -0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.78 1s9y n ARG 131 Cb 0.66 -0.12 -0.10 0.00 -1.02 0.00 0.00 32.46 31.88 1s9y n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1s9y s SER 132 N -0.21 0.79 0.10 0.55 1.04 -1.26 -4.98 113.70 109.72 1s9y s SER 132 Ca 0.00 -1.00 0.09 0.00 0.48 0.00 0.00 55.95 55.52 1s9y s SER 132 Cb 0.00 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.23 1s9y s SER 132 CO 0.00 -0.54 -0.18 0.26 0.98 0.00 0.00 173.24 173.76 1s9y s TRP 133 N -3.77 2.53 -0.49 5.02 0.52 -1.26 -0.32 118.94 121.16 1s9y s TRP 133 Ca 0.09 -0.27 -0.11 0.00 0.02 0.00 0.00 56.10 55.83 1s9y s TRP 133 Cb 0.07 -1.37 0.12 0.00 -1.15 0.00 0.00 33.47 31.14 1s9y s TRP 133 CO -0.08 0.35 0.39 0.99 0.02 0.00 0.00 176.95 178.63 1s9y s THR 134 N -1.09 4.51 -0.36 2.01 2.01 -0.05 -4.92 115.64 117.76 1s9y s THR 134 Ca 0.17 -1.71 -0.21 0.00 0.31 0.00 0.00 61.69 60.25 1s9y s THR 134 Cb -0.11 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.46 1s9y s THR 134 CO 0.09 -0.81 0.68 0.00 -0.69 0.00 0.00 174.62 173.89 1s9y s ALA 135 N 1.42 3.45 0.15 7.40 0.00 -1.26 -2.48 121.76 130.44 1s9y s ALA 135 Ca 0.05 -0.79 -0.23 0.00 0.00 0.00 0.00 51.96 50.99 1s9y s ALA 135 Cb -0.27 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.64 1s9y s ALA 135 CO 0.00 -1.38 1.63 0.00 0.00 0.00 0.00 175.76 176.02 1s9y h ALA 136 N 8.46 -0.15 -2.95 0.00 0.00 -1.61 -3.46 119.26 119.55 1s9y h ALA 136 Ca -0.26 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1s9y h ALA 136 Cb 1.11 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1s9y h ALA 136 CO 0.86 -0.68 0.00 -0.40 0.00 0.00 0.00 179.25 179.03 1s9y n ASP 137 N -5.37 0.00 -0.16 0.00 5.68 -1.26 -5.01 116.55 110.43 1s9y n ASP 137 Ca -0.01 -0.77 0.13 0.00 -0.50 0.00 0.00 54.79 53.64 1s9y n ASP 137 Cb 0.29 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 40.73 1s9y n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1s9y h MET 138 N 0.00 0.48 0.31 0.11 2.86 -2.00 -2.10 114.93 114.59 1s9y h MET 138 Ca 0.00 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1s9y h MET 138 Cb 0.00 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1s9y h MET 138 CO 0.00 0.32 -0.15 0.00 1.06 0.00 0.00 176.91 178.14 1s9y h ALA 139 N 1.65 -0.42 -0.15 6.32 0.00 -1.96 -3.00 119.26 121.70 1s9y h ALA 139 Ca 0.35 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1s9y h ALA 139 Cb 0.68 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1s9y h ALA 139 CO -0.12 -0.57 0.15 0.00 0.00 0.00 0.00 179.25 178.72 1s9y h ALA 140 N -0.22 1.82 -0.71 0.00 0.00 -1.74 -1.65 119.26 116.76 1s9y h ALA 140 Ca -0.04 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1s9y h ALA 140 Cb 0.50 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1s9y h ALA 140 CO 0.07 -0.23 0.43 1.96 0.00 0.00 0.00 179.25 181.48 1s9y h GLN 141 N 0.00 0.80 -0.72 0.00 1.08 -1.24 0.33 115.11 115.36 1s9y h GLN 141 Ca 0.07 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 1s9y h GLN 141 Cb 0.37 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.59 1s9y h GLN 141 CO -0.00 0.53 0.25 1.15 -0.95 0.00 0.00 178.83 179.80 1s9y h THR 142 N 0.82 1.25 -0.39 -0.54 2.02 -1.33 -0.62 112.91 114.12 1s9y h THR 142 Ca 0.30 -0.84 -0.15 0.00 0.77 0.00 0.00 66.41 66.48 1s9y h THR 142 Cb 0.09 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1s9y h THR 142 CO -0.14 0.33 -0.36 0.74 0.37 0.00 0.00 175.52 176.47 1s9y h THR 143 N 1.06 1.27 -0.36 3.16 2.02 -1.32 -1.79 112.91 116.94 1s9y h THR 143 Ca 0.24 -1.53 0.03 0.00 0.77 0.00 0.00 66.41 65.91 1s9y h THR 143 Cb 0.26 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 1s9y h THR 143 CO -0.01 0.51 0.17 0.50 0.37 0.00 0.00 175.52 177.06 1s9y h LYS 144 N 0.76 0.34 -0.38 6.66 3.64 0.07 0.27 116.57 127.93 1s9y h LYS 144 Ca 0.07 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 1s9y h LYS 144 Cb 0.95 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 1s9y h LYS 144 CO 0.09 0.23 -0.10 0.45 -2.27 0.00 0.00 179.45 177.85 1s9y h HIS 145 N 0.35 0.72 -0.43 1.91 3.86 -1.00 -0.88 115.15 119.68 1s9y h HIS 145 Ca 0.16 -0.12 -0.14 0.00 -1.16 0.00 0.00 60.37 59.10 1s9y h HIS 145 Cb 0.08 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1s9y h HIS 145 CO -0.11 0.74 -0.29 -0.22 0.86 0.00 0.00 177.93 178.91 1s9y h LYS 146 N 0.61 0.96 0.00 2.45 3.64 -0.75 -2.57 116.57 120.90 1s9y h LYS 146 Ca 0.11 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1s9y h LYS 146 Cb 0.53 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1s9y h LYS 146 CO 0.03 1.12 0.00 -1.49 -2.27 0.00 0.00 179.45 176.84 1s9y h TRP 147 N 0.80 0.00 0.10 1.91 4.06 -0.10 -2.11 115.95 120.61 1s9y h TRP 147 Ca 0.09 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.83 1s9y h TRP 147 Cb 0.87 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.04 1s9y h TRP 147 CO 0.06 0.00 -1.04 0.93 -3.56 0.00 0.00 178.44 174.83 1s9y h GLU 148 N 0.00 0.21 0.00 0.49 5.08 -0.97 -1.60 114.58 117.78 1s9y h GLU 148 Ca 0.00 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 57.96 1s9y h GLU 148 Cb 0.55 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1s9y h GLU 148 CO 0.00 1.17 -0.21 0.00 -1.00 0.00 0.00 179.01 178.97 1s9y h ALA 149 N -0.05 1.44 -0.02 3.43 0.00 -1.41 -2.26 119.26 120.39 1s9y h ALA 149 Ca -0.22 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1s9y h ALA 149 Cb 1.59 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1s9y h ALA 149 CO 0.05 0.26 -0.04 0.00 0.00 0.00 0.00 179.25 179.53 1s9y n ALA 150 N -2.40 2.61 -3.72 0.00 0.00 -0.80 -4.97 120.51 111.23 1s9y n ALA 150 Ca -0.02 -0.53 -0.22 0.00 0.00 0.00 0.00 53.44 52.67 1s9y n ALA 150 Cb 0.29 -1.03 0.03 0.00 0.00 0.00 0.00 19.45 18.73 1s9y n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1s9y n HIS 151 N 0.49 -1.89 -0.05 0.00 -0.00 -0.85 -4.88 115.22 108.03 1s9y n HIS 151 Ca 0.17 0.82 -0.13 0.00 -0.00 0.00 0.00 57.72 58.58 1s9y n HIS 151 Cb 0.44 -4.30 -0.00 0.00 -0.00 0.00 0.00 29.99 26.12 1s9y n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1s9y h VAL 152 N -1.85 1.29 -0.62 1.59 2.07 -1.57 -3.07 116.25 114.08 1s9y h VAL 152 Ca -0.61 -1.72 0.11 0.00 0.82 0.00 0.00 66.70 65.29 1s9y h VAL 152 Cb 1.36 1.64 -0.08 0.00 -1.52 0.00 0.00 31.29 32.68 1s9y h VAL 152 CO 0.57 0.56 0.18 0.00 0.02 0.00 0.00 177.57 178.89 1s9y h ALA 153 N 0.80 0.78 -0.20 1.67 0.00 -1.90 -0.06 119.26 120.35 1s9y h ALA 153 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1s9y h ALA 153 Cb 1.11 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1s9y h ALA 153 CO 0.11 -0.27 0.13 0.93 0.00 0.00 0.00 179.25 180.15 1s9y h GLU 154 N 0.32 0.26 -0.07 0.00 3.07 -1.82 0.42 114.58 116.77 1s9y h GLU 154 Ca 0.33 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.19 1s9y h GLU 154 Cb 0.47 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 1s9y h GLU 154 CO -0.38 0.19 -0.04 0.37 -1.40 0.00 0.00 179.01 177.75 1s9y h GLN 155 N 0.25 -0.04 -0.73 2.33 4.15 -1.29 -1.84 115.11 117.95 1s9y h GLN 155 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1s9y h GLN 155 Cb -0.01 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 1s9y h GLN 155 CO -0.01 -0.02 0.46 -0.07 -1.93 0.00 0.00 178.83 177.25 1s9y h LEU 156 N -0.04 0.85 -0.34 -2.39 3.38 -0.80 -2.31 115.31 113.66 1s9y h LEU 156 Ca 0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1s9y h LEU 156 Cb 0.10 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1s9y h LEU 156 CO -0.09 0.63 0.12 -0.09 0.09 0.00 0.00 178.44 179.10 1s9y h ARG 157 N 0.99 0.52 -0.69 1.13 2.43 -0.50 -0.71 114.38 117.54 1s9y h ARG 157 Ca 0.26 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1s9y h ARG 157 Cb -0.08 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 1s9y h ARG 157 CO -0.05 0.54 0.36 0.00 -1.51 0.00 0.00 179.97 179.31 1s9y h ALA 158 N 0.96 0.89 0.02 2.80 0.00 -1.00 -0.04 119.26 122.89 1s9y h ALA 158 Ca 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1s9y h ALA 158 Cb 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1s9y h ALA 158 CO -0.01 0.42 -0.01 -0.92 0.00 0.00 0.00 179.25 178.73 1s9y h TYR 159 N 0.95 -0.03 -0.52 0.00 3.20 -1.31 -1.86 116.97 117.41 1s9y h TYR 159 Ca 0.24 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 1s9y h TYR 159 Cb 0.06 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1s9y h TYR 159 CO -0.00 0.32 0.03 -0.07 -1.64 0.00 0.00 178.16 176.80 1s9y h LEU 160 N -0.37 0.87 -0.02 2.82 3.38 -1.04 0.50 115.31 121.45 1s9y h LEU 160 Ca -0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1s9y h LEU 160 Cb 0.36 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1s9y h LEU 160 CO 0.00 0.95 -0.13 -0.62 0.09 0.00 0.00 178.44 178.73 1s9y n GLU 161 N -4.33 0.10 0.00 1.13 1.02 -0.04 -3.98 120.64 114.56 1s9y n GLU 161 Ca 0.01 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1s9y n GLU 161 Cb 0.30 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1s9y n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s9y n GLY 162 N 1.46 0.64 0.36 0.62 0.00 -0.70 -4.78 105.19 102.79 1s9y n GLY 162 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 1s9y n GLY 162 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s9y n THR 163 N 0.00 -0.50 0.01 2.61 -1.04 -0.88 -0.36 114.28 114.12 1s9y n THR 163 Ca 0.00 2.20 -0.10 0.00 -2.04 0.00 0.00 64.05 64.11 1s9y n THR 163 Cb 0.00 -2.90 -0.04 0.00 -1.82 0.00 0.00 70.33 65.57 1s9y n THR 163 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s9y h VAL 165 N -0.36 1.13 -0.18 0.00 2.07 -1.36 -0.60 116.25 116.95 1s9y h VAL 165 Ca 0.09 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.31 1s9y h VAL 165 Cb 0.49 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 1s9y h VAL 165 CO -0.31 0.13 -0.18 -0.33 0.02 0.00 0.00 177.57 176.90 1s9y h GLU 166 N 0.27 -0.19 -0.22 1.57 5.08 -0.24 -0.87 114.58 119.98 1s9y h GLU 166 Ca 0.08 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 1s9y h GLU 166 Cb 0.09 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1s9y h GLU 166 CO -0.01 -0.13 -0.32 -1.49 -1.00 0.00 0.00 179.01 176.06 1s9y h TRP 167 N -0.20 0.52 -0.77 4.33 4.06 -0.50 -2.44 115.95 120.95 1s9y h TRP 167 Ca 0.12 -0.12 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 1s9y h TRP 167 Cb 0.37 -0.12 -0.04 0.00 -1.00 0.00 0.00 29.16 28.38 1s9y h TRP 167 CO -0.32 0.72 0.44 1.25 -3.56 0.00 0.00 178.44 176.98 1s9y h LEU 168 N 0.39 0.94 -0.06 -4.49 5.85 -0.50 0.22 115.31 117.66 1s9y h LEU 168 Ca 0.05 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1s9y h LEU 168 Cb 0.76 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 1s9y h LEU 168 CO 0.06 0.75 0.04 0.03 -0.34 0.00 0.00 178.44 178.98 1s9y h ARG 169 N 1.06 0.08 -0.02 1.25 3.08 -0.95 0.20 114.38 119.07 1s9y h ARG 169 Ca 0.27 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.35 1s9y h ARG 169 Cb -0.00 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 1s9y h ARG 169 CO -0.05 0.06 -0.27 -0.09 -1.07 0.00 0.00 179.97 178.56 1s9y h ARG 170 N 0.07 -0.38 -0.69 0.04 2.43 -0.93 0.42 114.38 115.34 1s9y h ARG 170 Ca 0.02 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1s9y h ARG 170 Cb 0.00 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 1s9y h ARG 170 CO -0.00 -0.25 0.44 1.88 -1.51 0.00 0.00 179.97 180.52 1s9y h TYR 171 N -0.40 0.83 -0.97 2.20 0.05 -0.40 -0.58 116.97 117.70 1s9y h TYR 171 Ca 0.07 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.91 1s9y h TYR 171 Cb 0.49 -0.28 -0.06 0.00 1.01 0.00 0.00 36.73 37.90 1s9y h TYR 171 CO -0.31 0.50 0.63 -0.07 -1.05 0.00 0.00 178.16 177.85 1s9y h LEU 172 N 0.88 1.04 -0.10 3.88 3.38 0.53 0.59 115.31 125.51 1s9y h LEU 172 Ca 0.26 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 1s9y h LEU 172 Cb -0.04 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 1s9y h LEU 172 CO -0.08 0.70 -0.10 -0.33 0.09 0.00 0.00 178.44 178.71 1s9y h GLU 173 N 1.20 0.25 -0.38 1.13 5.08 0.39 0.19 114.58 122.44 1s9y h GLU 173 Ca 0.39 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.56 1s9y h GLU 173 Cb 0.04 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1s9y h GLU 173 CO -0.13 0.67 -0.00 -0.91 -1.00 0.00 0.00 179.01 177.63 1s9y h ASN 174 N -0.16 0.57 0.06 1.42 -0.26 -0.73 -2.83 115.58 113.66 1s9y h ASN 174 Ca 0.02 -0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.64 1s9y h ASN 174 Cb 0.62 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.73 1s9y h ASN 174 CO 0.03 0.64 -0.15 0.61 -1.06 0.00 0.00 177.43 177.50 1s9y n GLY 175 N -0.80 0.01 0.17 2.83 0.00 0.20 -4.62 105.19 102.99 1s9y n GLY 175 Ca 0.02 -0.51 0.01 0.00 0.00 0.00 0.00 46.02 45.54 1s9y n GLY 175 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1s9y n LYS 176 N 0.12 -0.08 -0.08 1.61 4.81 0.65 0.48 118.16 125.68 1s9y n LYS 176 Ca 0.14 0.70 0.24 0.00 -0.87 0.00 0.00 58.31 58.52 1s9y n LYS 176 Cb 0.42 -1.05 0.49 0.00 0.02 0.00 0.00 35.03 34.91 1s9y n LYS 176 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1s9y h GLU 177 N 0.00 0.00 0.00 1.64 4.81 -1.84 -3.05 114.58 116.14 1s9y h GLU 177 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1s9y h GLU 177 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1s9y h GLU 177 CO -0.46 0.00 -0.24 0.25 -0.73 0.00 0.00 179.01 177.83 1s9y n THR 178 N -3.28 0.03 -0.32 0.32 -2.24 0.18 -4.76 114.28 104.21 1s9y n THR 178 Ca 0.17 0.01 0.16 0.00 -2.27 0.00 0.00 64.05 62.12 1s9y n THR 178 Cb 1.23 -0.77 0.36 0.00 -2.10 0.00 0.00 70.33 69.05 1s9y n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1s9y h LEU 179 N 0.00 0.46 -3.01 3.22 3.38 -1.20 0.31 115.31 118.48 1s9y h LEU 179 Ca 0.00 0.16 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 1s9y h LEU 179 Cb 0.24 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 1s9y h LEU 179 CO 0.00 0.01 0.16 0.00 0.09 0.00 0.00 178.44 178.69 1s9y n GLN 180 N -5.00 3.13 -4.04 1.13 6.02 -1.15 -4.89 117.38 112.58 1s9y n GLN 180 Ca 0.25 -2.19 -0.25 0.00 -0.01 0.00 0.00 57.00 54.80 1s9y n GLN 180 Cb 0.73 -1.97 -0.04 0.00 1.02 0.00 0.00 30.24 29.98 1s9y n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1s9y s ARG 181 N -2.27 3.10 -0.09 -1.09 1.70 0.11 -5.02 118.95 115.40 1s9y s ARG 181 Ca 0.39 -0.81 -0.01 0.00 -0.47 0.00 0.00 55.73 54.82 1s9y s ARG 181 Cb 0.31 -2.74 0.03 0.00 -0.57 0.00 0.00 34.95 31.97 1s9y s ARG 181 CO 0.10 0.48 -0.02 0.95 -1.08 0.00 0.00 175.30 175.73 1s9y s THR 182 N -1.83 0.60 -0.55 4.99 -4.23 -1.26 -4.68 115.64 108.67 1s9y s THR 182 Ca 0.32 -0.06 -0.17 0.00 -1.18 0.00 0.00 61.69 60.61 1s9y s THR 182 Cb -0.10 -0.73 0.11 0.00 1.34 0.00 0.00 72.50 73.12 1s9y s THR 182 CO 0.26 0.26 0.56 -1.81 -0.54 0.00 0.00 174.62 173.35 1s9y s ASP 183 N 1.88 6.19 0.48 3.99 1.01 0.09 -4.87 116.67 125.44 1s9y s ASP 183 Ca 0.05 -1.61 -0.23 0.00 0.71 0.00 0.00 52.55 51.46 1s9y s ASP 183 Cb -0.13 -2.24 -0.08 0.00 1.01 0.00 0.00 42.92 41.49 1s9y s ASP 183 CO -0.06 -0.92 1.18 0.00 0.21 0.00 0.00 175.17 175.58 1s9y n ALA 184 N 5.60 0.93 -1.78 5.23 0.00 -1.26 -1.77 120.51 127.47 1s9y n ALA 184 Ca -0.12 0.18 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 1s9y n ALA 184 Cb 0.41 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 1s9y n ALA 184 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1s9y s PRO 185 N -2.42 4.47 -0.44 0.00 0.04 -1.26 -4.61 135.00 130.78 1s9y s PRO 185 Ca 0.66 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 63.55 1s9y s PRO 185 Cb -0.48 -3.12 0.02 0.00 0.04 0.00 0.00 34.50 30.96 1s9y s PRO 185 CO 0.54 -0.04 0.67 0.15 0.04 0.00 0.00 177.00 178.36 1s9y s LYS 186 N -1.59 3.32 0.28 4.56 1.02 0.49 -4.83 119.74 122.98 1s9y s LYS 186 Ca 0.48 -0.31 0.07 0.00 0.02 0.00 0.00 55.97 56.23 1s9y s LYS 186 Cb -0.37 -3.94 -0.03 0.00 -0.52 0.00 0.00 37.83 32.97 1s9y s LYS 186 CO 0.48 -1.02 0.19 0.95 -0.92 0.00 0.00 175.35 175.03 1s9y s THR 187 N 2.89 4.06 0.07 2.17 -4.23 -1.26 -1.83 115.64 117.51 1s9y s THR 187 Ca 0.24 -1.47 -0.27 0.00 -1.18 0.00 0.00 61.69 59.01 1s9y s THR 187 Cb -0.14 -3.27 0.09 0.00 1.34 0.00 0.00 72.50 70.52 1s9y s THR 187 CO 0.19 -0.31 0.99 -1.38 -0.54 0.00 0.00 174.62 173.58 1s9y s HIS 188 N -2.21 -0.19 0.05 3.99 -3.43 -0.99 -5.02 115.29 107.49 1s9y s HIS 188 Ca 0.35 -0.03 0.05 0.00 -0.80 0.00 0.00 55.06 54.63 1s9y s HIS 188 Cb -0.07 0.59 -0.02 0.00 -1.43 0.00 0.00 32.58 31.65 1s9y s HIS 188 CO 0.25 -0.64 -0.15 1.41 -2.00 0.00 0.00 174.74 173.61 1s9y s MET 189 N -3.09 0.94 -0.07 -0.38 1.75 -1.26 -0.96 119.30 116.24 1s9y s MET 189 Ca 0.10 -0.82 0.04 0.00 -1.25 0.00 0.00 55.69 53.76 1s9y s MET 189 Cb -0.00 -0.97 -0.00 0.00 2.84 0.00 0.00 34.83 36.70 1s9y s MET 189 CO -0.02 0.23 -0.20 0.95 -0.65 0.00 0.00 175.02 175.33 1s9y s THR 190 N -0.94 1.70 -0.23 10.11 -4.23 -0.71 -5.00 115.64 116.34 1s9y s THR 190 Ca 0.01 -0.84 -0.01 0.00 -1.18 0.00 0.00 61.69 59.68 1s9y s THR 190 Cb -0.08 -1.47 0.02 0.00 1.34 0.00 0.00 72.50 72.31 1s9y s THR 190 CO 0.02 0.48 -0.09 -2.28 -0.54 0.00 0.00 174.62 172.20 1s9y s HIS 191 N 0.20 3.01 -0.09 3.99 2.46 -1.26 -1.67 115.29 121.93 1s9y s HIS 191 Ca -0.10 -1.59 -0.00 0.00 0.47 0.00 0.00 55.06 53.83 1s9y s HIS 191 Cb -0.15 -2.02 0.02 0.00 -0.13 0.00 0.00 32.58 30.31 1s9y s HIS 191 CO 0.05 -0.74 -0.06 -1.01 -2.47 0.00 0.00 174.74 170.51 1s9y s HIS 192 N 1.31 1.18 0.04 3.88 3.76 -0.53 -4.99 115.29 119.94 1s9y s HIS 192 Ca 0.01 -0.50 -0.31 0.00 -0.15 0.00 0.00 55.06 54.11 1s9y s HIS 192 Cb -0.16 -1.03 -0.07 0.00 1.11 0.00 0.00 32.58 32.43 1s9y s HIS 192 CO -0.06 -0.40 1.55 0.00 -0.85 0.00 0.00 174.74 174.98 1s9y s ALA 193 N 1.54 3.64 -0.10 -1.40 0.00 -1.26 -0.48 121.76 123.71 1s9y s ALA 193 Ca 0.00 1.08 0.15 0.00 0.00 0.00 0.00 51.96 53.19 1s9y s ALA 193 Cb -0.13 -3.65 -0.21 0.00 0.00 0.00 0.00 23.12 19.12 1s9y s ALA 193 CO -0.05 -1.02 0.18 1.55 0.00 0.00 0.00 175.76 176.42 1s9y n VAL 194 N 4.68 0.60 -3.01 0.00 3.14 -0.71 -4.88 118.33 118.15 1s9y n VAL 194 Ca 0.15 -0.53 0.00 0.00 -2.96 0.00 0.00 64.34 61.00 1s9y n VAL 194 Cb 0.42 -0.29 0.00 0.00 -1.06 0.00 0.00 33.84 32.90 1s9y n VAL 194 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1s9y n SER 195 N -2.35 1.50 -0.03 6.55 2.88 -0.63 -5.00 113.62 116.53 1s9y n SER 195 Ca -0.15 -0.01 -0.14 0.00 -1.33 0.00 0.00 58.87 57.23 1s9y n SER 195 Cb 0.75 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 64.07 1s9y n SER 195 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1s9y n ASP 196 N -0.02 1.28 -0.15 -3.46 8.00 -1.26 -4.37 116.55 116.57 1s9y n ASP 196 Ca 0.00 0.23 0.02 0.00 0.71 0.00 0.00 54.79 55.75 1s9y n ASP 196 Cb 0.00 -0.22 0.02 0.00 -0.02 0.00 0.00 41.12 40.91 1s9y n ASP 196 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s9y n HIS 197 N -3.17 0.05 -4.55 1.24 1.44 -1.26 -4.97 115.22 104.00 1s9y n HIS 197 Ca -0.27 -0.19 -0.21 0.00 -2.01 0.00 0.00 57.72 55.03 1s9y n HIS 197 Cb 1.06 -0.02 -0.15 0.00 0.12 0.00 0.00 29.99 31.01 1s9y n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1s9y s GLU 198 N -0.55 1.06 -0.05 -1.40 2.02 -1.26 0.17 118.70 118.69 1s9y s GLU 198 Ca 0.05 -0.56 0.03 0.00 0.02 0.00 0.00 54.97 54.51 1s9y s GLU 198 Cb 0.03 -1.04 0.00 0.00 0.10 0.00 0.00 34.13 33.23 1s9y s GLU 198 CO 0.04 0.28 -0.15 0.00 0.02 0.00 0.00 175.26 175.45 1s9y s ALA 199 N -0.46 1.41 -0.08 5.21 0.00 0.47 -1.61 121.76 126.71 1s9y s ALA 199 Ca 0.04 -0.57 -0.19 0.00 0.00 0.00 0.00 51.96 51.24 1s9y s ALA 199 Cb -0.06 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 1s9y s ALA 199 CO -0.00 0.20 0.54 0.99 0.00 0.00 0.00 175.76 177.49 1s9y s THR 200 N 0.32 5.09 -0.18 0.00 2.01 0.37 -1.48 115.64 121.77 1s9y s THR 200 Ca -0.09 1.09 -0.01 0.00 0.31 0.00 0.00 61.69 62.99 1s9y s THR 200 Cb -0.13 -3.87 -0.00 0.00 0.01 0.00 0.00 72.50 68.50 1s9y s THR 200 CO 0.03 0.35 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.43 1s9y s LEU 201 N 0.36 2.56 -0.15 4.42 1.43 -0.23 -1.46 118.68 125.61 1s9y s LEU 201 Ca 0.29 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1s9y s LEU 201 Cb -0.16 -1.61 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 1s9y s LEU 201 CO 0.13 0.04 -0.16 -0.60 0.23 0.00 0.00 176.35 175.99 1s9y s ARG 202 N 1.08 3.21 -0.22 1.70 3.52 -0.67 -0.41 118.95 127.17 1s9y s ARG 202 Ca 0.00 -0.76 -0.14 0.00 -0.13 0.00 0.00 55.73 54.70 1s9y s ARG 202 Cb -0.14 -2.59 -0.04 0.00 -1.56 0.00 0.00 34.95 30.61 1s9y s ARG 202 CO -0.03 0.05 0.31 0.00 -0.81 0.00 0.00 175.30 174.82 1s9y s TRP 204 N 1.26 2.86 -0.11 0.00 0.52 -0.14 -1.00 118.94 122.33 1s9y s TRP 204 Ca 0.15 -0.17 0.02 0.00 0.02 0.00 0.00 56.10 56.12 1s9y s TRP 204 Cb -0.14 -1.74 0.01 0.00 -1.15 0.00 0.00 33.47 30.45 1s9y s TRP 204 CO 0.07 0.16 -0.16 0.00 0.02 0.00 0.00 176.95 177.04 1s9y s ALA 205 N -0.47 1.77 0.07 0.98 0.00 0.58 -2.34 121.76 122.35 1s9y s ALA 205 Ca 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1s9y s ALA 205 Cb -0.12 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 1s9y s ALA 205 CO 0.02 -0.05 -0.05 -0.51 0.00 0.00 0.00 175.76 175.17 1s9y s LEU 206 N 0.92 2.48 -1.44 0.00 1.43 -0.76 -1.39 118.68 119.92 1s9y s LEU 206 Ca -0.07 -0.96 -0.07 0.00 -1.03 0.00 0.00 54.13 51.99 1s9y s LEU 206 Cb -0.15 0.05 0.05 0.00 0.03 0.00 0.00 46.19 46.17 1s9y s LEU 206 CO -0.01 -0.51 0.81 -1.20 0.23 0.00 0.00 176.35 175.68 1s9y n SER 207 N 0.16 -2.90 -4.57 2.29 7.64 -0.95 -0.38 113.62 114.91 1s9y n SER 207 Ca -0.14 -0.82 -0.26 0.00 1.01 0.00 0.00 58.87 58.66 1s9y n SER 207 Cb 0.60 -3.85 -0.09 0.00 -1.01 0.00 0.00 64.21 59.87 1s9y n SER 207 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1s9y s PHE 208 N -3.51 2.63 -0.21 1.43 -0.12 -1.06 -4.62 117.98 112.51 1s9y s PHE 208 Ca 0.34 -0.23 -0.15 0.00 -0.05 0.00 0.00 56.93 56.84 1s9y s PHE 208 Cb -0.17 -1.27 0.06 0.00 -0.63 0.00 0.00 43.02 41.01 1s9y s PHE 208 CO 0.83 0.53 0.54 -0.47 -0.05 0.00 0.00 175.22 176.60 1s9y s TYR 209 N -1.79 -0.70 1.16 3.49 5.04 -0.73 -0.43 117.35 123.38 1s9y s TYR 209 Ca 0.26 1.56 -0.19 0.00 -2.44 0.00 0.00 57.07 56.25 1s9y s TYR 209 Cb -0.08 0.32 0.29 0.00 0.35 0.00 0.00 41.96 42.83 1s9y s TYR 209 CO 0.16 -0.36 1.00 -0.35 -1.34 0.00 0.00 175.55 174.66 1s9y n PRO 210 N 3.57 -3.12 0.23 4.97 -0.04 -1.26 -0.73 135.00 138.61 1s9y n PRO 210 Ca -0.18 -1.60 0.08 0.00 -0.04 0.00 0.00 63.50 61.76 1s9y n PRO 210 Cb 0.57 -1.54 0.54 0.00 -0.04 0.00 0.00 33.50 33.03 1s9y n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s9y h ALA 211 N -2.75 1.30 -1.93 0.55 0.00 -1.95 -3.45 119.26 111.03 1s9y h ALA 211 Ca -0.38 -0.21 -0.62 0.00 0.00 0.00 0.00 54.91 53.70 1s9y h ALA 211 Cb 1.17 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1s9y h ALA 211 CO 0.25 0.29 1.16 -1.91 0.00 0.00 0.00 179.25 179.03 1s9y n GLU 212 N -3.80 2.05 -3.47 0.00 4.07 -1.26 -4.95 120.64 113.29 1s9y n GLU 212 Ca -0.02 0.73 -0.13 0.00 -0.06 0.00 0.00 57.16 57.68 1s9y n GLU 212 Cb 0.33 -2.66 -0.03 0.00 -0.06 0.00 0.00 31.44 29.01 1s9y n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1s9y s ILE 213 N 4.68 0.00 -0.04 6.31 2.07 -1.26 -4.63 121.20 128.32 1s9y s ILE 213 Ca 0.95 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 60.20 1s9y s ILE 213 Cb -0.69 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 40.92 1s9y s ILE 213 CO 0.51 0.00 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.60 1s9y s THR 214 N -2.73 0.51 -0.20 4.00 2.01 -0.30 -4.97 115.64 113.96 1s9y s THR 214 Ca -0.02 -0.11 0.01 0.00 0.31 0.00 0.00 61.69 61.87 1s9y s THR 214 Cb -0.01 -0.53 0.05 0.00 0.01 0.00 0.00 72.50 72.02 1s9y s THR 214 CO -0.05 0.21 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.24 1s9y s LEU 215 N 0.87 2.35 -0.01 4.42 1.43 -1.26 -0.63 118.68 125.86 1s9y s LEU 215 Ca -0.11 -0.94 0.05 0.00 -1.03 0.00 0.00 54.13 52.10 1s9y s LEU 215 Cb -0.14 -1.24 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 1s9y s LEU 215 CO 0.00 -0.16 -0.17 0.42 0.23 0.00 0.00 176.35 176.68 1s9y s THR 216 N 1.39 1.33 -0.03 5.49 -4.23 -0.69 -4.96 115.64 113.94 1s9y s THR 216 Ca -0.02 -0.77 -0.07 0.00 -1.18 0.00 0.00 61.69 59.66 1s9y s THR 216 Cb -0.17 -1.12 -0.04 0.00 1.34 0.00 0.00 72.50 72.51 1s9y s THR 216 CO -0.08 0.34 0.23 0.26 -0.54 0.00 0.00 174.62 174.83 1s9y s TRP 217 N -0.45 3.59 0.09 3.99 0.52 -1.26 -0.70 118.94 124.72 1s9y s TRP 217 Ca 0.06 0.56 0.03 0.00 0.02 0.00 0.00 56.10 56.78 1s9y s TRP 217 Cb -0.07 -1.97 -0.03 0.00 -1.15 0.00 0.00 33.47 30.25 1s9y s TRP 217 CO -0.00 0.65 -0.10 -0.65 0.02 0.00 0.00 176.95 176.87 1s9y s GLN 218 N -1.54 0.81 -0.13 4.98 -0.21 0.11 0.08 119.66 123.76 1s9y s GLN 218 Ca 0.24 -1.12 0.02 0.00 0.02 0.00 0.00 55.36 54.52 1s9y s GLN 218 Cb -0.13 -0.50 0.02 0.00 1.00 0.00 0.00 33.01 33.39 1s9y s GLN 218 CO 0.13 0.08 -0.17 0.50 -2.12 0.00 0.00 175.29 173.71 1s9y s ARG 219 N -2.67 2.43 -1.71 2.91 3.52 0.76 -1.11 118.95 123.08 1s9y s ARG 219 Ca 0.04 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 1s9y s ARG 219 Cb -0.03 -2.07 0.00 0.00 -1.56 0.00 0.00 34.95 31.29 1s9y s ARG 219 CO -0.00 -0.10 0.00 -0.25 -0.81 0.00 0.00 175.30 174.14 1s9y n ASP 220 N 4.31 -4.52 0.00 -2.12 8.00 0.70 -0.59 116.55 122.34 1s9y n ASP 220 Ca -0.19 0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.71 1s9y n ASP 220 Cb 0.51 -4.00 0.00 0.00 -0.02 0.00 0.00 41.12 37.61 1s9y n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s9y n GLY 221 N -0.25 0.64 3.79 0.44 0.00 -1.26 -5.07 105.19 103.47 1s9y n GLY 221 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 1s9y n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s9y s GLU 222 N -0.84 3.47 0.07 1.61 2.02 0.24 -5.01 118.70 120.26 1s9y s GLU 222 Ca 0.00 -0.23 -0.31 0.00 0.02 0.00 0.00 54.97 54.45 1s9y s GLU 222 Cb 0.00 -3.12 -0.08 0.00 0.10 0.00 0.00 34.13 31.03 1s9y s GLU 222 CO 0.00 0.65 1.64 -0.51 0.02 0.00 0.00 175.26 177.06 1s9y s ASP 223 N -0.68 6.61 -0.54 -0.19 1.01 -1.26 -0.17 116.67 121.45 1s9y s ASP 223 Ca 0.12 2.47 -0.11 0.00 0.71 0.00 0.00 52.55 55.75 1s9y s ASP 223 Cb -0.12 -2.56 0.14 0.00 1.01 0.00 0.00 42.92 41.38 1s9y s ASP 223 CO 0.03 -0.88 0.44 -1.10 0.21 0.00 0.00 175.17 173.86 1s9y s GLN 224 N 2.58 2.72 -0.28 8.23 -1.52 0.11 -4.88 119.66 126.62 1s9y s GLN 224 Ca 0.73 -1.89 0.08 0.00 -1.95 0.00 0.00 55.36 52.32 1s9y s GLN 224 Cb -0.39 -4.05 0.45 0.00 -0.22 0.00 0.00 33.01 28.80 1s9y s GLN 224 CO 0.32 -1.23 1.22 0.25 -0.25 0.00 0.00 175.29 175.59 1s9y n THR 225 N 4.77 2.49 -2.38 -0.19 -2.24 -1.26 -4.46 114.28 111.00 1s9y n THR 225 Ca -0.06 -3.96 -0.01 0.00 -2.27 0.00 0.00 64.05 57.75 1s9y n THR 225 Cb 0.41 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 1s9y n THR 225 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s9y n GLN 226 N -0.81 0.33 -0.07 -0.78 6.02 -1.26 -4.84 117.38 115.97 1s9y n GLN 226 Ca 0.39 -1.74 0.00 0.00 -0.01 0.00 0.00 57.00 55.64 1s9y n GLN 226 Cb 0.91 0.04 0.00 0.00 1.02 0.00 0.00 30.24 32.20 1s9y n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1s9y n ASP 227 N 0.00 0.00 -4.81 1.08 9.92 -1.26 -5.15 116.55 116.33 1s9y n ASP 227 Ca -0.08 -0.83 -0.22 0.00 -0.53 0.00 0.00 54.79 53.13 1s9y n ASP 227 Cb 0.92 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 41.36 1s9y n ASP 227 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1s9y s THR 228 N 0.00 3.40 -0.09 -3.53 -4.23 -1.26 -3.29 115.64 106.64 1s9y s THR 228 Ca 0.00 -1.48 0.01 0.00 -1.18 0.00 0.00 61.69 59.04 1s9y s THR 228 Cb 0.00 -3.12 0.02 0.00 1.34 0.00 0.00 72.50 70.74 1s9y s THR 228 CO 0.00 -0.18 -0.10 -0.70 -0.54 0.00 0.00 174.62 173.09 1s9y s GLU 229 N -3.94 1.66 -0.08 3.99 2.12 0.18 -4.96 118.70 117.67 1s9y s GLU 229 Ca 0.39 -0.36 0.04 0.00 0.36 0.00 0.00 54.97 55.41 1s9y s GLU 229 Cb -0.05 -1.51 -0.00 0.00 0.26 0.00 0.00 34.13 32.83 1s9y s GLU 229 CO 0.25 -0.10 -0.22 -1.17 -0.54 0.00 0.00 175.26 173.48 1s9y s LEU 230 N 1.11 2.00 0.33 2.70 0.20 -1.26 -0.12 118.68 123.64 1s9y s LEU 230 Ca -0.06 -0.49 0.02 0.00 0.69 0.00 0.00 54.13 54.29 1s9y s LEU 230 Cb -0.14 -1.27 -0.03 0.00 -0.43 0.00 0.00 46.19 44.32 1s9y s LEU 230 CO -0.02 0.16 0.51 0.68 -0.29 0.00 0.00 176.35 177.39 1s9y s VAL 231 N 0.25 5.02 0.37 1.68 -7.23 -1.11 -5.06 120.40 114.32 1s9y s VAL 231 Ca -0.14 -0.62 -0.26 0.00 -1.81 0.00 0.00 61.98 59.16 1s9y s VAL 231 Cb -0.16 -3.81 -0.09 0.00 0.56 0.00 0.00 36.38 32.88 1s9y s VAL 231 CO 0.06 -0.47 1.10 -1.61 -0.31 0.00 0.00 175.10 173.88 1s9y s GLU 232 N -4.25 4.23 0.25 4.82 2.02 -1.26 -4.71 118.70 119.80 1s9y s GLU 232 Ca 0.39 1.70 -0.31 0.00 0.02 0.00 0.00 54.97 56.77 1s9y s GLU 232 Cb -0.09 -2.74 -0.12 0.00 0.10 0.00 0.00 34.13 31.28 1s9y s GLU 232 CO 0.34 -0.12 1.64 2.41 0.02 0.00 0.00 175.26 179.55 1s9y n THR 233 N 0.27 0.53 -4.34 3.63 -1.04 -1.26 -4.84 114.28 107.22 1s9y n THR 233 Ca 0.03 -0.13 -0.24 0.00 -2.04 0.00 0.00 64.05 61.68 1s9y n THR 233 Cb 0.47 -1.92 -0.12 0.00 -1.82 0.00 0.00 70.33 66.95 1s9y n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s9y s ARG 234 N 0.29 1.29 0.02 -2.82 1.70 -0.55 -4.96 118.95 113.93 1s9y s ARG 234 Ca 0.70 -1.37 -0.30 0.00 -0.47 0.00 0.00 55.73 54.28 1s9y s ARG 234 Cb -0.52 -1.47 -0.04 0.00 -0.57 0.00 0.00 34.95 32.35 1s9y s ARG 234 CO 0.41 0.32 1.04 -1.25 -1.08 0.00 0.00 175.30 174.74 1s9y s PRO 235 N -2.53 4.53 0.46 3.89 0.04 -1.26 -0.42 135.00 139.71 1s9y s PRO 235 Ca 0.14 1.52 0.27 0.00 0.04 0.00 0.00 61.00 62.97 1s9y s PRO 235 Cb -0.07 -3.42 0.71 0.00 0.04 0.00 0.00 34.50 31.76 1s9y s PRO 235 CO 0.07 -0.09 1.74 0.00 0.04 0.00 0.00 177.00 178.76 1s9y h ALA 236 N 6.71 1.00 0.00 8.56 0.00 -1.34 -3.47 119.26 130.73 1s9y h ALA 236 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1s9y h ALA 236 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1s9y h ALA 236 CO 0.76 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.42 1s9y n GLY 237 N 0.74 0.73 0.45 0.00 0.00 -1.26 -4.89 105.19 100.96 1s9y n GLY 237 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1s9y n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s9y n ASP 238 N 0.00 2.88 0.00 1.61 5.75 -1.26 -4.95 116.55 120.58 1s9y n ASP 238 Ca 0.00 -3.14 0.00 0.00 -0.01 0.00 0.00 54.79 51.64 1s9y n ASP 238 Cb 0.00 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 1s9y n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s9y n GLY 239 N -1.08 3.25 3.99 6.12 0.00 -1.26 -5.06 105.19 111.16 1s9y n GLY 239 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1s9y n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s9y s THR 240 N -2.99 2.65 0.31 2.61 -4.23 -1.26 -4.87 115.64 107.87 1s9y s THR 240 Ca 0.00 -0.80 0.07 0.00 -1.18 0.00 0.00 61.69 59.78 1s9y s THR 240 Cb 0.00 -2.86 -0.06 0.00 1.34 0.00 0.00 72.50 70.92 1s9y s THR 240 CO 0.00 0.00 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.68 1s9y s PHE 241 N -2.67 2.11 0.15 3.99 0.08 0.42 -0.90 117.98 121.16 1s9y s PHE 241 Ca 0.58 -0.70 0.02 0.00 0.12 0.00 0.00 56.93 56.95 1s9y s PHE 241 Cb -0.09 -1.27 -0.04 0.00 -0.57 0.00 0.00 43.02 41.04 1s9y s PHE 241 CO 0.37 0.31 -0.02 -0.65 -0.10 0.00 0.00 175.22 175.13 1s9y s GLN 242 N -3.73 1.02 -0.28 0.44 -0.21 0.44 -2.23 119.66 115.11 1s9y s GLN 242 Ca 0.32 -1.46 -0.28 0.00 0.02 0.00 0.00 55.36 53.95 1s9y s GLN 242 Cb 0.05 -0.25 0.19 0.00 1.00 0.00 0.00 33.01 34.00 1s9y s GLN 242 CO 0.14 -0.09 1.36 0.21 -2.12 0.00 0.00 175.29 174.80 1s9y s LYS 243 N -3.88 0.08 0.04 2.91 2.20 -0.49 -1.48 119.74 119.12 1s9y s LYS 243 Ca 0.20 0.03 -0.10 0.00 -0.36 0.00 0.00 55.97 55.74 1s9y s LYS 243 Cb 0.06 0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.42 1s9y s LYS 243 CO 0.01 -0.02 0.20 1.67 -0.36 0.00 0.00 175.35 176.85 1s9y s TRP 244 N -0.81 0.06 -0.02 4.03 1.48 -1.26 -0.31 118.94 122.10 1s9y s TRP 244 Ca 0.08 -0.29 0.01 0.00 -1.06 0.00 0.00 56.10 54.85 1s9y s TRP 244 Cb -0.02 -0.03 0.01 0.00 -1.16 0.00 0.00 33.47 32.28 1s9y s TRP 244 CO -0.09 -0.44 -0.04 0.00 -4.06 0.00 0.00 176.95 172.32 1s9y s ALA 245 N -2.66 0.52 0.16 2.67 0.00 -0.17 -2.77 121.76 119.51 1s9y s ALA 245 Ca -0.04 -0.10 0.09 0.00 0.00 0.00 0.00 51.96 51.91 1s9y s ALA 245 Cb -0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1s9y s ALA 245 CO -0.04 0.04 -0.20 0.00 0.00 0.00 0.00 175.76 175.55 1s9y s ALA 246 N 0.46 2.09 0.00 0.00 0.00 0.83 0.60 121.76 125.74 1s9y s ALA 246 Ca -0.05 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.44 1s9y s ALA 246 Cb -0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 23.12 22.79 1s9y s ALA 246 CO -0.00 0.31 -0.02 0.54 0.00 0.00 0.00 175.76 176.59 1s9y s VAL 247 N -1.75 0.19 -0.27 0.00 0.11 0.46 0.48 120.40 119.61 1s9y s VAL 247 Ca 0.15 -0.17 -0.16 0.00 -2.93 0.00 0.00 61.98 58.87 1s9y s VAL 247 Cb -0.07 -0.18 -0.03 0.00 -1.53 0.00 0.00 36.38 34.57 1s9y s VAL 247 CO 0.07 0.01 0.41 -0.69 -3.33 0.00 0.00 175.10 171.56 1s9y s VAL 248 N -0.17 5.15 0.10 2.04 1.01 -1.21 -1.07 120.40 126.25 1s9y s VAL 248 Ca -0.00 0.64 0.07 0.00 0.00 0.00 0.00 61.98 62.69 1s9y s VAL 248 Cb -0.02 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1s9y s VAL 248 CO -0.00 0.14 -0.19 0.68 0.00 0.00 0.00 175.10 175.73 1s9y s VAL 249 N 2.13 1.58 -0.00 2.92 -7.23 -0.55 -4.99 120.40 114.26 1s9y s VAL 249 Ca 0.16 -1.55 -0.30 0.00 -1.81 0.00 0.00 61.98 58.49 1s9y s VAL 249 Cb -0.16 -1.49 -0.07 0.00 0.56 0.00 0.00 36.38 35.22 1s9y s VAL 249 CO 0.10 -0.14 1.81 -2.84 -0.31 0.00 0.00 175.10 173.72 1s9y s PRO 250 N -2.02 4.16 0.12 4.82 0.02 -1.26 -0.39 135.00 140.45 1s9y s PRO 250 Ca 0.06 2.41 -0.35 0.00 0.02 0.00 0.00 61.00 63.14 1s9y s PRO 250 Cb -0.09 -4.05 -0.15 0.00 0.02 0.00 0.00 34.50 30.22 1s9y s PRO 250 CO 0.04 -0.90 1.46 -1.13 -0.33 0.00 0.00 177.00 176.14 1s9y n SER 251 N 7.26 2.36 0.00 2.53 3.41 0.13 -0.61 113.62 128.69 1s9y n SER 251 Ca 0.19 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.90 1s9y n SER 251 Cb 0.42 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 1s9y n SER 251 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s9y n GLY 252 N 2.96 0.27 0.43 5.00 0.00 -1.26 -4.89 105.19 107.69 1s9y n GLY 252 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 1s9y n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s9y n GLN 253 N -1.68 1.38 -0.27 1.61 6.02 0.22 -4.75 117.38 119.91 1s9y n GLN 253 Ca 0.00 -1.42 0.08 0.00 -0.01 0.00 0.00 57.00 55.65 1s9y n GLN 253 Cb 0.00 -1.19 0.22 0.00 1.02 0.00 0.00 30.24 30.29 1s9y n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1s9y h GLU 254 N 1.71 0.30 0.00 -1.09 3.07 -1.91 -1.37 114.58 115.29 1s9y h GLU 254 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1s9y h GLU 254 Cb 0.51 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1s9y h GLU 254 CO 0.00 0.20 0.25 -0.56 -1.40 0.00 0.00 179.01 177.49 1s9y h GLN 255 N 0.31 0.00 0.00 2.33 -0.00 -1.96 0.14 115.11 115.93 1s9y h GLN 255 Ca 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 59.10 1s9y h GLN 255 Cb 0.82 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.30 1s9y h GLN 255 CO -0.52 0.00 -0.19 0.00 -0.00 0.00 0.00 178.83 178.12 1s9y h ARG 256 N 0.00 0.00 -6.14 0.06 3.08 -1.63 -3.47 114.38 106.28 1s9y h ARG 256 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1s9y h ARG 256 Cb 0.49 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 1s9y h ARG 256 CO 0.00 0.03 -0.32 0.71 -1.07 0.00 0.00 179.97 179.32 1s9y s TYR 257 N -3.22 3.49 -0.03 3.04 1.51 0.49 -0.21 117.35 122.42 1s9y s TYR 257 Ca 0.06 0.56 -0.07 0.00 -1.01 0.00 0.00 57.07 56.60 1s9y s TYR 257 Cb 0.06 -2.00 0.01 0.00 -0.11 0.00 0.00 41.96 39.91 1s9y s TYR 257 CO 0.69 0.45 0.16 0.95 -1.11 0.00 0.00 175.55 176.70 1s9y s THR 258 N -1.63 0.04 -0.17 -0.71 -4.23 -0.26 -4.44 115.64 104.24 1s9y s THR 258 Ca 0.40 -0.36 -0.06 0.00 -1.18 0.00 0.00 61.69 60.49 1s9y s THR 258 Cb -0.12 -0.35 -0.04 0.00 1.34 0.00 0.00 72.50 73.33 1s9y s THR 258 CO 0.24 -0.20 0.02 0.00 -0.54 0.00 0.00 174.62 174.14 1s9y s HIS 260 N 0.40 2.92 -0.23 0.00 3.76 0.12 -1.15 115.29 121.12 1s9y s HIS 260 Ca 0.00 -0.70 -0.04 0.00 -0.15 0.00 0.00 55.06 54.18 1s9y s HIS 260 Cb -0.13 -1.98 -0.00 0.00 1.11 0.00 0.00 32.58 31.57 1s9y s HIS 260 CO 0.01 -0.32 -0.04 0.08 -0.85 0.00 0.00 174.74 173.62 1s9y s VAL 261 N 0.85 3.35 -0.17 -0.90 1.01 -0.67 -1.70 120.40 122.16 1s9y s VAL 261 Ca -0.02 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 1s9y s VAL 261 Cb -0.15 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 1s9y s VAL 261 CO 0.01 0.38 -0.06 -1.10 0.00 0.00 0.00 175.10 174.33 1s9y s GLN 262 N 1.47 3.49 -0.27 2.72 -0.21 0.20 -2.13 119.66 124.92 1s9y s GLN 262 Ca 0.05 -0.60 -0.15 0.00 0.02 0.00 0.00 55.36 54.68 1s9y s GLN 262 Cb -0.15 -2.87 0.08 0.00 1.00 0.00 0.00 33.01 31.07 1s9y s GLN 262 CO -0.03 0.08 0.66 -1.58 -2.12 0.00 0.00 175.29 172.30 1s9y s HIS 263 N 0.76 -1.02 -1.21 0.91 2.46 -1.26 -1.14 115.29 114.79 1s9y s HIS 263 Ca -0.03 2.05 0.00 0.00 0.47 0.00 0.00 55.06 57.56 1s9y s HIS 263 Cb -0.15 0.60 0.00 0.00 -0.13 0.00 0.00 32.58 32.90 1s9y s HIS 263 CO 0.02 -0.51 0.78 -0.85 -2.47 0.00 0.00 174.74 171.71 1s9y n GLU 264 N 4.30 0.00 0.00 2.88 0.28 -1.26 0.14 120.64 126.98 1s9y n GLU 264 Ca -0.20 0.30 0.14 0.00 -0.16 0.00 0.00 57.16 57.23 1s9y n GLU 264 Cb 0.59 -1.53 0.51 0.00 1.43 0.00 0.00 31.44 32.43 1s9y n GLU 264 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1s9y n GLY 265 N -1.28 -1.04 3.55 -1.84 0.00 -1.26 -4.78 105.19 98.54 1s9y n GLY 265 Ca 0.00 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 1s9y n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s9y s LEU 266 N -2.66 3.64 0.30 0.99 1.43 0.12 -4.40 118.68 118.10 1s9y s LEU 266 Ca 0.22 -0.05 0.07 0.00 -1.03 0.00 0.00 54.13 53.34 1s9y s LEU 266 Cb 0.19 -1.94 0.79 0.00 0.03 0.00 0.00 46.19 45.26 1s9y s LEU 266 CO 0.53 0.08 1.74 -0.65 0.23 0.00 0.00 176.35 178.29 1s9y h PRO 267 N 7.37 0.59 -3.11 1.29 0.11 -1.86 -3.42 132.00 132.98 1s9y h PRO 267 Ca -0.37 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.61 1s9y h PRO 267 Cb 1.17 -0.13 -0.18 0.00 0.11 0.00 0.00 31.00 31.97 1s9y h PRO 267 CO 0.64 0.39 -0.22 -1.59 -0.21 0.00 0.00 178.00 177.01 1s9y s LYS 268 N -5.83 0.77 0.67 1.05 0.00 -1.26 -5.16 119.74 109.99 1s9y s LYS 268 Ca -0.11 -0.33 -0.17 0.00 0.00 0.00 0.00 55.97 55.36 1s9y s LYS 268 Cb 0.26 0.34 -0.04 0.00 0.00 0.00 0.00 37.83 38.38 1s9y s LYS 268 CO 0.79 -0.24 0.64 -2.30 0.00 0.00 0.00 175.35 174.25 1s9y n PRO 269 N 0.87 0.45 -3.89 1.78 -0.02 -1.26 -4.99 135.00 127.93 1s9y n PRO 269 Ca -0.20 0.19 -0.35 0.00 -2.02 0.00 0.00 63.50 61.12 1s9y n PRO 269 Cb 0.58 -1.90 -0.05 0.00 -0.02 0.00 0.00 33.50 32.11 1s9y n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1s9y s LEU 270 N -0.65 4.38 -0.15 2.45 1.43 -0.91 -4.93 118.68 120.31 1s9y s LEU 270 Ca 0.69 0.41 0.02 0.00 -1.03 0.00 0.00 54.13 54.22 1s9y s LEU 270 Cb -0.38 -2.39 0.01 0.00 0.03 0.00 0.00 46.19 43.46 1s9y s LEU 270 CO 0.55 0.32 -0.21 -0.89 0.23 0.00 0.00 176.35 176.35 1s9y s THR 271 N -1.20 2.15 -0.10 5.49 2.01 -1.26 -1.67 115.64 121.07 1s9y s THR 271 Ca 0.22 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.31 1s9y s THR 271 Cb -0.12 -1.87 0.01 0.00 0.01 0.00 0.00 72.50 70.52 1s9y s THR 271 CO 0.12 0.54 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.64 1s9y s LEU 272 N 0.85 1.93 -0.06 4.42 1.43 -0.30 -4.94 118.68 122.01 1s9y s LEU 272 Ca -0.06 -0.48 0.06 0.00 -1.03 0.00 0.00 54.13 52.62 1s9y s LEU 272 Cb -0.15 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 1s9y s LEU 272 CO -0.03 0.10 -0.24 -0.13 0.23 0.00 0.00 176.35 176.28 1s9y s ARG 273 N 0.56 2.51 0.00 1.70 0.52 -1.26 -0.86 118.95 122.12 1s9y s ARG 273 Ca -0.15 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.19 1s9y s ARG 273 Cb -0.17 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.20 1s9y s ARG 273 CO 0.05 0.35 0.21 1.87 0.02 0.00 0.00 175.30 177.80