#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s9x s SER 2 N 0.00 4.59 0.06 1.61 0.01 -1.26 -4.02 113.70 114.69 1s9x s SER 2 Ca 0.00 2.39 -0.05 0.00 1.31 0.00 0.00 55.95 59.60 1s9x s SER 2 Cb 0.00 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 1s9x s SER 2 CO 0.00 -2.00 0.08 -1.00 0.41 0.00 0.00 173.24 170.73 1s9x s HIS 3 N -1.79 0.32 0.08 2.43 0.09 -0.20 -4.99 115.29 111.23 1s9x s HIS 3 Ca 0.76 -0.77 -0.08 0.00 -0.00 0.00 0.00 55.06 54.97 1s9x s HIS 3 Cb -0.30 -0.22 -0.00 0.00 -0.00 0.00 0.00 32.58 32.06 1s9x s HIS 3 CO 0.41 -0.44 0.18 -1.54 -0.00 0.00 0.00 174.74 173.35 1s9x s SER 4 N -2.73 0.13 -0.09 1.40 1.04 -1.26 -0.25 113.70 111.95 1s9x s SER 4 Ca 0.04 -0.64 0.02 0.00 0.48 0.00 0.00 55.95 55.85 1s9x s SER 4 Cb 0.05 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.51 1s9x s SER 4 CO -0.09 -0.70 -0.15 -0.32 0.98 0.00 0.00 173.24 172.96 1s9x s MET 5 N -3.73 2.04 -0.00 4.02 -2.45 -0.74 -0.53 119.30 117.91 1s9x s MET 5 Ca 0.04 -0.51 0.00 0.00 -1.25 0.00 0.00 55.69 53.97 1s9x s MET 5 Cb 0.04 -1.69 -0.00 0.00 1.25 0.00 0.00 34.83 34.44 1s9x s MET 5 CO -0.10 0.01 -0.01 1.03 1.05 0.00 0.00 175.02 177.00 1s9x s ARG 6 N 0.77 0.07 -0.05 4.11 0.52 0.18 -1.68 118.95 122.87 1s9x s ARG 6 Ca -0.12 -0.03 0.03 0.00 -0.52 0.00 0.00 55.73 55.09 1s9x s ARG 6 Cb -0.16 -0.07 -0.03 0.00 0.52 0.00 0.00 34.95 35.21 1s9x s ARG 6 CO 0.02 0.02 -0.12 0.71 0.02 0.00 0.00 175.30 175.95 1s9x s TYR 7 N 0.00 2.78 -0.09 -0.53 2.02 -0.39 0.36 117.35 121.51 1s9x s TYR 7 Ca 0.00 -0.09 0.03 0.00 -0.37 0.00 0.00 57.07 56.63 1s9x s TYR 7 Cb -0.01 -1.65 0.01 0.00 -0.40 0.00 0.00 41.96 39.91 1s9x s TYR 7 CO -0.00 0.25 -0.17 -0.06 -1.57 0.00 0.00 175.55 174.00 1s9x s PHE 8 N -0.78 1.94 -0.05 2.71 0.08 0.89 -2.54 117.98 120.24 1s9x s PHE 8 Ca 0.12 -0.79 0.04 0.00 0.12 0.00 0.00 56.93 56.43 1s9x s PHE 8 Cb -0.11 -1.36 -0.00 0.00 -0.57 0.00 0.00 43.02 40.98 1s9x s PHE 8 CO 0.01 -0.36 -0.19 -0.06 -0.10 0.00 0.00 175.22 174.52 1s9x s PHE 9 N 0.60 1.90 -0.07 0.36 0.08 0.17 -0.32 117.98 120.70 1s9x s PHE 9 Ca -0.15 -0.58 -0.01 0.00 0.12 0.00 0.00 56.93 56.31 1s9x s PHE 9 Cb -0.16 -1.28 0.03 0.00 -0.57 0.00 0.00 43.02 41.04 1s9x s PHE 9 CO 0.05 -0.20 -0.00 0.99 -0.10 0.00 0.00 175.22 175.95 1s9x s THR 10 N 0.07 0.36 -0.09 0.64 2.01 -0.05 -0.49 115.64 118.10 1s9x s THR 10 Ca -0.06 0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.09 1s9x s THR 10 Cb -0.13 -0.51 -0.01 0.00 0.01 0.00 0.00 72.50 71.87 1s9x s THR 10 CO 0.03 0.25 -0.22 -0.44 -0.69 0.00 0.00 174.62 173.55 1s9x s SER 11 N 1.83 3.32 -0.11 3.53 0.01 0.21 -0.77 113.70 121.73 1s9x s SER 11 Ca 0.03 -0.48 -0.01 0.00 1.31 0.00 0.00 55.95 56.80 1s9x s SER 11 Cb -0.12 -1.28 0.03 0.00 0.21 0.00 0.00 66.02 64.85 1s9x s SER 11 CO -0.05 0.19 -0.06 -0.69 0.41 0.00 0.00 173.24 173.05 1s9x s VAL 12 N 0.16 0.87 0.49 3.43 1.01 -0.42 -0.92 120.40 125.03 1s9x s VAL 12 Ca -0.12 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.45 1s9x s VAL 12 Cb -0.16 -0.93 -0.08 0.00 0.00 0.00 0.00 36.38 35.21 1s9x s VAL 12 CO 0.07 0.33 1.05 -0.94 0.00 0.00 0.00 175.10 175.60 1s9x s SER 13 N 1.77 6.25 -0.39 3.32 1.04 -0.74 -0.73 113.70 124.22 1s9x s SER 13 Ca 0.05 1.96 0.12 0.00 0.48 0.00 0.00 55.95 58.56 1s9x s SER 13 Cb -0.13 -2.56 0.36 0.00 0.10 0.00 0.00 66.02 63.80 1s9x s SER 13 CO -0.07 -0.85 0.80 0.54 0.98 0.00 0.00 173.24 174.63 1s9x n ARG 14 N -1.02 1.33 -1.58 4.02 1.74 -1.26 -4.35 116.66 115.54 1s9x n ARG 14 Ca 0.10 -3.58 -0.60 0.00 -0.77 0.00 0.00 57.85 53.00 1s9x n ARG 14 Cb 0.52 -1.73 -0.09 0.00 -1.02 0.00 0.00 32.46 30.15 1s9x n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1s9x n PRO 15 N 0.15 0.58 0.00 5.56 -0.02 -1.26 -0.36 135.00 139.65 1s9x n PRO 15 Ca 0.24 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1s9x n PRO 15 Cb 0.65 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1s9x n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s9x n GLY 16 N 5.22 3.14 0.11 -1.23 0.00 -1.26 -4.82 105.19 106.35 1s9x n GLY 16 Ca 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 1s9x n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s9x n ARG 17 N -1.58 0.68 -3.34 1.61 1.74 0.52 -5.10 116.66 111.18 1s9x n ARG 17 Ca 0.00 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1s9x n ARG 17 Cb 0.00 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 1s9x n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s9x n GLY 18 N 1.90 -1.30 3.77 -0.13 0.00 -0.83 -5.10 105.19 103.50 1s9x n GLY 18 Ca -0.34 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.37 1s9x n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s9x s GLU 19 N -0.70 3.41 0.36 1.61 2.02 -1.26 -4.33 118.70 119.81 1s9x s GLU 19 Ca 0.00 1.68 -0.28 0.00 0.02 0.00 0.00 54.97 56.39 1s9x s GLU 19 Cb 0.00 -2.09 -0.11 0.00 0.10 0.00 0.00 34.13 32.02 1s9x s GLU 19 CO 0.00 -0.82 1.45 -0.35 0.02 0.00 0.00 175.26 175.56 1s9x n PRO 20 N -1.14 2.54 -2.22 0.39 -0.04 -1.26 -4.63 135.00 128.64 1s9x n PRO 20 Ca 0.11 0.89 -0.43 0.00 -0.04 0.00 0.00 63.50 64.04 1s9x n PRO 20 Cb 0.50 -2.59 -0.02 0.00 -0.04 0.00 0.00 33.50 31.35 1s9x n PRO 20 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1s9x s ARG 21 N -1.94 4.22 -0.17 0.54 6.06 0.09 -4.78 118.95 122.98 1s9x s ARG 21 Ca 0.54 1.92 -0.02 0.00 -2.50 0.00 0.00 55.73 55.68 1s9x s ARG 21 Cb -0.50 -3.81 -0.01 0.00 0.06 0.00 0.00 34.95 30.68 1s9x s ARG 21 CO 0.62 -0.73 -0.09 0.12 -2.50 0.00 0.00 175.30 172.72 1s9x s PHE 22 N 3.49 2.88 -0.07 5.12 5.36 -1.26 -1.30 117.98 132.21 1s9x s PHE 22 Ca 0.64 -0.76 -0.01 0.00 -0.96 0.00 0.00 56.93 55.84 1s9x s PHE 22 Cb -0.28 -1.95 0.03 0.00 -0.34 0.00 0.00 43.02 40.48 1s9x s PHE 22 CO 0.23 -0.33 0.00 0.42 -1.46 0.00 0.00 175.22 174.08 1s9x s ILE 23 N 0.77 0.36 0.05 3.12 1.01 0.05 -2.29 121.20 124.27 1s9x s ILE 23 Ca -0.04 0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.83 1s9x s ILE 23 Cb -0.15 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 1s9x s ILE 23 CO 0.01 0.26 -0.21 0.00 0.00 0.00 0.00 174.94 175.00 1s9x s ALA 24 N 1.98 2.47 0.00 9.38 0.00 -1.10 -0.87 121.76 133.62 1s9x s ALA 24 Ca 0.05 -1.24 -0.02 0.00 0.00 0.00 0.00 51.96 50.75 1s9x s ALA 24 Cb -0.12 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 1s9x s ALA 24 CO -0.05 0.56 0.04 0.14 0.00 0.00 0.00 175.76 176.44 1s9x s VAL 25 N -0.89 0.06 -0.01 0.00 -7.23 0.56 -1.74 120.40 111.15 1s9x s VAL 25 Ca 0.14 -0.51 0.08 0.00 -1.81 0.00 0.00 61.98 59.87 1s9x s VAL 25 Cb -0.10 -0.22 -0.02 0.00 0.56 0.00 0.00 36.38 36.59 1s9x s VAL 25 CO 0.04 -0.28 -0.24 -0.83 -0.31 0.00 0.00 175.10 173.48 1s9x s GLY 26 N -0.86 1.34 0.08 2.32 0.00 -0.41 -0.07 107.32 109.72 1s9x s GLY 26 Ca -0.09 -1.13 0.04 0.00 0.00 0.00 0.00 44.72 43.54 1s9x s GLY 26 CO -0.00 -0.95 -0.12 -0.19 0.00 0.00 0.00 173.10 171.84 1s9x s TYR 27 N -0.67 1.09 -0.27 1.90 1.51 0.16 -1.23 117.35 119.83 1s9x s TYR 27 Ca 0.11 -0.54 0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1s9x s TYR 27 Cb -0.10 -0.61 0.08 0.00 -0.11 0.00 0.00 41.96 41.22 1s9x s TYR 27 CO -0.00 0.02 0.02 0.08 -1.11 0.00 0.00 175.55 174.56 1s9x s VAL 28 N -1.78 1.38 0.00 0.71 1.01 -0.09 -0.65 120.40 120.97 1s9x s VAL 28 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.56 1s9x s VAL 28 Cb -0.07 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1s9x s VAL 28 CO 0.01 -0.38 0.00 0.47 0.00 0.00 0.00 175.10 175.20 1s9x n ASP 29 N 4.68 0.00 -1.35 3.32 8.00 0.31 -1.27 116.55 130.24 1s9x n ASP 29 Ca -0.06 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.56 1s9x n ASP 29 Cb 0.43 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.85 1s9x n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1s9x n ASP 30 N 7.40 3.92 -4.51 -2.24 8.00 -1.26 -4.88 116.55 122.98 1s9x n ASP 30 Ca 0.00 -2.00 -0.37 0.00 0.71 0.00 0.00 54.79 53.13 1s9x n ASP 30 Cb 0.00 -0.48 -0.12 0.00 -0.02 0.00 0.00 41.12 40.50 1s9x n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1s9x s THR 31 N -1.03 4.79 0.03 -3.53 2.01 -0.40 -5.02 115.64 112.48 1s9x s THR 31 Ca 0.49 -0.03 -0.30 0.00 0.31 0.00 0.00 61.69 62.16 1s9x s THR 31 Cb 0.25 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 1s9x s THR 31 CO 0.33 0.28 0.96 -1.58 -0.69 0.00 0.00 174.62 173.92 1s9x s GLN 32 N 1.68 4.60 -0.02 4.92 0.74 -1.26 -0.91 119.66 129.40 1s9x s GLN 32 Ca 0.07 1.40 0.03 0.00 0.05 0.00 0.00 55.36 56.90 1s9x s GLN 32 Cb -0.16 -3.43 -0.04 0.00 1.10 0.00 0.00 33.01 30.49 1s9x s GLN 32 CO 0.07 0.05 0.03 1.97 -0.55 0.00 0.00 175.29 176.85 1s9x n PHE 33 N 3.52 0.00 -4.12 1.67 1.16 -0.36 -3.99 117.46 115.33 1s9x n PHE 33 Ca 0.04 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.53 1s9x n PHE 33 Cb 0.50 -0.11 -0.10 0.00 -1.61 0.00 0.00 39.48 38.16 1s9x n PHE 33 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 1s9x s VAL 34 N -2.11 0.49 0.05 1.97 -7.23 -1.23 0.13 120.40 112.47 1s9x s VAL 34 Ca -0.01 -1.77 -0.22 0.00 -1.81 0.00 0.00 61.98 58.17 1s9x s VAL 34 Cb 0.01 -1.46 0.05 0.00 0.56 0.00 0.00 36.38 35.54 1s9x s VAL 34 CO 0.12 -0.86 0.51 0.00 -0.31 0.00 0.00 175.10 174.56 1s9x s ARG 35 N -3.55 1.03 0.01 4.82 1.04 -0.40 -1.28 118.95 120.62 1s9x s ARG 35 Ca 0.07 -0.26 0.01 0.00 -1.04 0.00 0.00 55.73 54.51 1s9x s ARG 35 Cb 0.04 0.47 -0.01 0.00 -2.04 0.00 0.00 34.95 33.41 1s9x s ARG 35 CO -0.06 -0.37 -0.04 0.12 -0.04 0.00 0.00 175.30 174.91 1s9x s PHE 36 N -2.48 0.33 -0.19 5.89 5.36 -0.71 0.06 117.98 126.24 1s9x s PHE 36 Ca -0.05 -0.29 -0.04 0.00 -0.96 0.00 0.00 56.93 55.59 1s9x s PHE 36 Cb -0.01 -0.21 0.10 0.00 -0.34 0.00 0.00 43.02 42.56 1s9x s PHE 36 CO -0.02 -0.08 0.28 0.34 -1.46 0.00 0.00 175.22 174.29 1s9x s ASP 37 N -0.81 0.73 0.00 6.13 -1.08 -1.26 -2.72 116.67 117.65 1s9x s ASP 37 Ca -0.06 0.17 0.01 0.00 -0.52 0.00 0.00 52.55 52.15 1s9x s ASP 37 Cb -0.06 0.70 0.05 0.00 -1.46 0.00 0.00 42.92 42.15 1s9x s ASP 37 CO -0.00 -0.29 0.97 -1.54 0.52 0.00 0.00 175.17 174.83 1s9x n SER 38 N 5.34 0.00 -0.24 -0.34 3.41 -0.97 -0.36 113.62 120.46 1s9x n SER 38 Ca -0.05 0.43 0.11 0.00 -0.26 0.00 0.00 58.87 59.09 1s9x n SER 38 Cb 0.50 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.96 1s9x n SER 38 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1s9x n ASP 39 N -1.43 1.50 -4.70 4.04 9.92 -1.26 -4.98 116.55 119.63 1s9x n ASP 39 Ca 0.00 -1.24 -0.29 0.00 -0.53 0.00 0.00 54.79 52.73 1s9x n ASP 39 Cb 0.01 0.74 0.11 0.00 -0.64 0.00 0.00 41.12 41.34 1s9x n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1s9x s ALA 40 N -2.75 2.59 -0.03 2.24 0.00 0.51 -5.02 121.76 119.31 1s9x s ALA 40 Ca 0.13 -0.83 0.12 0.00 0.00 0.00 0.00 51.96 51.39 1s9x s ALA 40 Cb 0.17 -2.87 -0.14 0.00 0.00 0.00 0.00 23.12 20.28 1s9x s ALA 40 CO 0.72 -1.84 1.05 0.00 0.00 0.00 0.00 175.76 175.69 1s9x h ALA 41 N -1.17 0.60 -0.07 0.00 0.00 -1.94 -3.37 119.26 113.32 1s9x h ALA 41 Ca -0.45 -0.94 -0.19 0.00 0.00 0.00 0.00 54.91 53.33 1s9x h ALA 41 Cb 1.30 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1s9x h ALA 41 CO 0.58 1.13 -0.75 0.66 0.00 0.00 0.00 179.25 180.88 1s9x h SER 42 N 0.00 0.46 -5.79 0.00 4.64 -1.95 -3.47 113.55 107.44 1s9x h SER 42 Ca -0.11 -0.31 -0.43 0.00 -0.47 0.00 0.00 61.79 60.47 1s9x h SER 42 Cb 1.71 -0.14 0.03 0.00 -0.31 0.00 0.00 62.40 63.70 1s9x h SER 42 CO 0.08 1.05 -0.69 0.00 -0.87 0.00 0.00 176.83 176.40 1s9x n GLN 43 N -3.82 -6.06 -4.14 4.77 1.13 -1.26 -4.97 117.38 103.03 1s9x n GLN 43 Ca -0.04 0.71 -0.09 0.00 -1.94 0.00 0.00 57.00 55.64 1s9x n GLN 43 Cb 0.72 -5.64 -0.10 0.00 0.11 0.00 0.00 30.24 25.33 1s9x n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1s9x s ARG 44 N -6.33 0.75 0.02 -1.09 0.52 -1.26 -5.03 118.95 106.53 1s9x s ARG 44 Ca 0.56 -1.29 -0.30 0.00 -0.52 0.00 0.00 55.73 54.18 1s9x s ARG 44 Cb -0.27 -0.03 -0.05 0.00 0.52 0.00 0.00 34.95 35.11 1s9x s ARG 44 CO 0.70 -0.06 1.32 1.41 0.02 0.00 0.00 175.30 178.69 1s9x s MET 45 N -3.87 4.33 0.25 3.54 -2.45 -1.26 -4.72 119.30 115.11 1s9x s MET 45 Ca 0.10 1.89 0.07 0.00 -1.25 0.00 0.00 55.69 56.50 1s9x s MET 45 Cb 0.06 -3.48 -0.03 0.00 1.25 0.00 0.00 34.83 32.63 1s9x s MET 45 CO -0.07 -0.47 0.23 -1.21 1.05 0.00 0.00 175.02 174.55 1s9x s GLU 46 N 1.93 3.03 0.23 4.11 2.02 0.11 -4.87 118.70 125.25 1s9x s GLU 46 Ca 0.61 -0.99 -0.19 0.00 0.02 0.00 0.00 54.97 54.42 1s9x s GLU 46 Cb -0.31 -2.63 -0.08 0.00 0.10 0.00 0.00 34.13 31.21 1s9x s GLU 46 CO 0.27 0.41 0.71 -1.25 0.02 0.00 0.00 175.26 175.42 1s9x s PRO 47 N -3.86 4.20 0.00 0.39 0.04 -1.26 -1.27 135.00 133.24 1s9x s PRO 47 Ca 0.33 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1s9x s PRO 47 Cb -0.08 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1s9x s PRO 47 CO 0.26 0.37 0.53 0.54 0.04 0.00 0.00 177.00 178.74 1s9x n ARG 48 N 0.59 0.43 -3.78 4.56 5.12 0.35 -4.81 116.66 119.12 1s9x n ARG 48 Ca -0.02 -0.61 -0.14 0.00 -1.93 0.00 0.00 57.85 55.16 1s9x n ARG 48 Cb 0.51 -0.58 -0.15 0.00 -1.16 0.00 0.00 32.46 31.08 1s9x n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1s9x s ALA 49 N -0.15 -0.09 0.21 7.54 0.00 -1.18 -4.58 121.76 123.52 1s9x s ALA 49 Ca 0.00 0.40 -0.17 0.00 0.00 0.00 0.00 51.96 52.19 1s9x s ALA 49 Cb 0.00 -0.28 0.20 0.00 0.00 0.00 0.00 23.12 23.04 1s9x s ALA 49 CO 0.00 -0.11 1.59 -1.35 0.00 0.00 0.00 175.76 175.89 1s9x h PRO 50 N 6.99 -0.09 0.00 0.00 0.11 -1.94 -1.63 132.00 135.45 1s9x h PRO 50 Ca -0.40 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1s9x h PRO 50 Cb 1.15 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1s9x h PRO 50 CO 0.46 -0.06 0.00 0.11 -0.21 0.00 0.00 178.00 178.30 1s9x h TRP 51 N -0.09 0.00 0.00 0.65 5.08 -1.98 -1.82 115.95 117.79 1s9x h TRP 51 Ca 0.29 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 60.20 1s9x h TRP 51 Cb 0.56 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.71 1s9x h TRP 51 CO -0.66 0.00 -0.27 0.97 -1.28 0.00 0.00 178.44 177.20 1s9x h ILE 52 N 0.00 0.79 0.00 0.12 6.09 -1.64 -2.42 117.51 120.45 1s9x h ILE 52 Ca 0.00 -1.11 0.00 0.00 -1.37 0.00 0.00 64.86 62.38 1s9x h ILE 52 Cb 0.02 1.69 0.00 0.00 0.47 0.00 0.00 36.82 39.00 1s9x h ILE 52 CO 0.00 0.27 0.00 -0.62 -3.07 0.00 0.00 178.15 174.73 1s9x n GLU 53 N -3.63 0.06 0.06 2.19 -0.58 -0.68 -0.72 120.64 117.34 1s9x n GLU 53 Ca -0.01 0.52 0.09 0.00 -0.42 0.00 0.00 57.16 57.35 1s9x n GLU 53 Cb 0.40 -1.69 0.40 0.00 -0.57 0.00 0.00 31.44 29.98 1s9x n GLU 53 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1s9x n GLN 54 N -1.82 0.10 -1.82 3.49 6.02 -0.91 -4.73 117.38 117.71 1s9x n GLN 54 Ca -0.00 0.34 -0.32 0.00 -0.01 0.00 0.00 57.00 57.01 1s9x n GLN 54 Cb 0.04 -1.69 0.03 0.00 1.02 0.00 0.00 30.24 29.64 1s9x n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1s9x s GLU 55 N -3.16 3.23 0.79 -1.09 0.41 0.11 -5.06 118.70 113.92 1s9x s GLU 55 Ca 0.06 1.00 -0.04 0.00 -0.41 0.00 0.00 54.97 55.57 1s9x s GLU 55 Cb 0.09 -2.03 0.15 0.00 -1.78 0.00 0.00 34.13 30.57 1s9x s GLU 55 CO 0.33 -0.87 1.08 0.20 -0.49 0.00 0.00 175.26 175.51 1s9x s GLY 56 N -3.50 1.76 0.31 -1.39 0.00 -1.26 -4.96 107.32 98.28 1s9x s GLY 56 Ca 0.59 -1.67 -0.01 0.00 0.00 0.00 0.00 44.72 43.64 1s9x s GLY 56 CO 0.48 -1.03 1.98 -2.55 0.00 0.00 0.00 173.10 171.98 1s9x h PRO 57 N -0.82 1.00 0.00 2.90 0.11 -1.97 -1.76 132.00 131.46 1s9x h PRO 57 Ca -0.37 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1s9x h PRO 57 Cb 1.26 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1s9x h PRO 57 CO 0.38 0.67 0.00 0.93 -0.21 0.00 0.00 178.00 179.77 1s9x h GLU 58 N 1.03 0.00 -0.02 1.05 5.08 -1.99 -2.16 114.58 117.57 1s9x h GLU 58 Ca 0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1s9x h GLU 58 Cb -0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1s9x h GLU 58 CO -0.06 0.00 -0.04 -0.92 -1.00 0.00 0.00 179.01 176.99 1s9x h TYR 59 N 0.00 0.08 -0.43 4.33 3.20 -1.69 -1.80 116.97 120.65 1s9x h TYR 59 Ca 0.00 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.76 1s9x h TYR 59 Cb 0.33 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 1s9x h TYR 59 CO 0.00 0.63 -0.05 -1.49 -1.64 0.00 0.00 178.16 175.61 1s9x h TRP 60 N -0.50 0.78 -0.24 -3.82 4.06 -1.48 0.19 115.95 114.95 1s9x h TRP 60 Ca 0.00 -0.12 -0.02 0.00 2.06 0.00 0.00 58.89 60.82 1s9x h TRP 60 Cb 0.62 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.56 1s9x h TRP 60 CO 0.13 0.76 0.09 -0.44 -3.56 0.00 0.00 178.44 175.41 1s9x h ASP 61 N 0.68 0.34 -0.07 -3.49 3.32 -1.43 -1.85 116.42 113.92 1s9x h ASP 61 Ca 0.13 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1s9x h ASP 61 Cb 0.49 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 1s9x h ASP 61 CO 0.03 0.43 0.03 1.23 -1.72 0.00 0.00 179.24 179.23 1s9x h GLY 62 N 0.23 0.12 1.78 2.75 0.00 -1.02 -2.10 103.07 104.84 1s9x h GLY 62 Ca 0.08 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 1s9x h GLY 62 CO -0.00 0.06 -0.24 0.83 0.00 0.00 0.00 176.54 177.19 1s9x h GLU 63 N -0.06 0.26 -0.14 4.80 4.39 -0.99 -0.80 114.58 122.04 1s9x h GLU 63 Ca 0.02 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1s9x h GLU 63 Cb 0.19 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1s9x h GLU 63 CO -0.00 0.49 -0.01 1.15 -1.16 0.00 0.00 179.01 179.48 1s9x h THR 64 N 0.24 1.27 -0.36 1.13 2.02 -1.25 -0.23 112.91 115.73 1s9x h THR 64 Ca 0.04 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.34 1s9x h THR 64 Cb 0.56 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 1s9x h THR 64 CO 0.04 0.26 0.24 -0.09 0.37 0.00 0.00 175.52 176.33 1s9x h ARG 65 N -0.03 0.47 -0.52 6.66 2.43 -1.14 -1.31 114.38 120.94 1s9x h ARG 65 Ca 0.04 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1s9x h ARG 65 Cb 0.40 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1s9x h ARG 65 CO 0.01 0.32 0.08 0.87 -1.51 0.00 0.00 179.97 179.74 1s9x h LYS 66 N 0.48 0.87 -0.15 0.20 1.57 -1.10 -2.00 116.57 116.44 1s9x h LYS 66 Ca 0.13 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.60 1s9x h LYS 66 Cb -0.05 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1s9x h LYS 66 CO -0.03 0.85 -0.22 -0.24 -0.57 0.00 0.00 179.45 179.25 1s9x h VAL 67 N 0.75 1.23 -0.07 0.50 3.04 -0.85 -1.58 116.25 119.26 1s9x h VAL 67 Ca 0.16 -1.05 -0.17 0.00 -1.01 0.00 0.00 66.70 64.63 1s9x h VAL 67 Cb 0.41 1.36 -0.01 0.00 -2.01 0.00 0.00 31.29 31.04 1s9x h VAL 67 CO 0.01 0.32 -0.68 0.11 -1.01 0.00 0.00 177.57 176.33 1s9x h LYS 68 N 0.24 0.30 -0.49 4.17 1.57 -1.06 -1.97 116.57 119.34 1s9x h LYS 68 Ca 0.04 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.54 1s9x h LYS 68 Cb 0.53 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1s9x h LYS 68 CO 0.04 0.87 0.08 0.00 -0.57 0.00 0.00 179.45 179.86 1s9x h ALA 69 N 1.07 1.23 -0.26 3.86 0.00 -0.77 -0.28 119.26 124.10 1s9x h ALA 69 Ca -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1s9x h ALA 69 Cb 1.22 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1s9x h ALA 69 CO 0.11 0.52 0.04 0.45 0.00 0.00 0.00 179.25 180.38 1s9x h HIS 70 N 0.72 0.46 -0.45 0.00 3.86 -0.92 -1.93 115.15 116.89 1s9x h HIS 70 Ca 0.16 -0.06 0.03 0.00 -1.16 0.00 0.00 60.37 59.33 1s9x h HIS 70 Cb 0.33 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.64 1s9x h HIS 70 CO 0.02 0.54 0.24 1.03 0.86 0.00 0.00 177.93 180.62 1s9x h SER 71 N 0.24 0.36 -0.56 2.45 0.87 -0.95 -0.59 113.55 115.37 1s9x h SER 71 Ca 0.08 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.69 1s9x h SER 71 Cb 0.33 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 1s9x h SER 71 CO 0.01 0.25 0.37 1.56 -0.53 0.00 0.00 176.83 178.49 1s9x h GLN 72 N 0.47 0.64 -0.04 2.24 4.20 -0.82 0.27 115.11 122.07 1s9x h GLN 72 Ca 0.19 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 1s9x h GLN 72 Cb 0.08 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1s9x h GLN 72 CO -0.12 0.42 -0.23 1.15 -0.67 0.00 0.00 178.83 179.39 1s9x h THR 73 N 0.66 1.47 -0.66 -0.54 2.02 -0.60 -2.98 112.91 112.29 1s9x h THR 73 Ca 0.22 -1.71 0.08 0.00 0.77 0.00 0.00 66.41 65.77 1s9x h THR 73 Cb 0.07 2.46 -0.04 0.00 -1.74 0.00 0.00 68.15 68.90 1s9x h THR 73 CO -0.06 0.48 0.43 0.45 0.37 0.00 0.00 175.52 177.19 1s9x h HIS 74 N -0.34 0.61 -0.55 3.16 3.86 -0.76 -0.30 115.15 120.83 1s9x h HIS 74 Ca -0.02 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 1s9x h HIS 74 Cb 0.89 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 1s9x h HIS 74 CO 0.14 0.31 0.02 -0.09 0.86 0.00 0.00 177.93 179.17 1s9x h ARG 75 N 0.59 0.94 -0.07 2.45 2.43 -0.93 -1.48 114.38 118.32 1s9x h ARG 75 Ca 0.29 -0.27 -0.24 0.00 -0.81 0.00 0.00 59.98 58.96 1s9x h ARG 75 Cb 0.37 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1s9x h ARG 75 CO -0.09 0.92 -0.90 0.28 -1.51 0.00 0.00 179.97 178.66 1s9x h VAL 76 N 0.87 1.30 -0.38 0.20 2.07 -1.11 -3.22 116.25 115.97 1s9x h VAL 76 Ca 0.16 -2.15 -0.04 0.00 0.82 0.00 0.00 66.70 65.49 1s9x h VAL 76 Cb 0.49 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1s9x h VAL 76 CO 0.02 0.67 0.07 0.44 0.02 0.00 0.00 177.57 178.79 1s9x h ASP 77 N 0.43 0.53 -0.33 0.57 3.32 -0.91 0.93 116.42 120.95 1s9x h ASP 77 Ca -0.09 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 56.92 1s9x h ASP 77 Cb 1.54 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.92 1s9x h ASP 77 CO 0.18 0.55 0.11 -0.07 -1.72 0.00 0.00 179.24 178.28 1s9x h LEU 78 N 0.56 0.10 0.61 1.55 3.38 -1.28 0.52 115.31 120.75 1s9x h LEU 78 Ca 0.13 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1s9x h LEU 78 Cb 0.25 0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.03 1s9x h LEU 78 CO -0.00 0.10 -0.29 1.23 0.09 0.00 0.00 178.44 179.56 1s9x h GLY 79 N 0.24 -0.85 -0.16 0.83 0.00 -1.43 -1.89 103.07 99.81 1s9x h GLY 79 Ca 0.15 0.31 0.13 0.00 0.00 0.00 0.00 47.33 47.92 1s9x h GLY 79 CO -0.16 -0.31 -0.08 -0.84 0.00 0.00 0.00 176.54 175.15 1s9x h THR 80 N -0.97 0.43 -0.02 4.70 2.02 -0.51 0.60 112.91 119.17 1s9x h THR 80 Ca -0.08 -0.02 -0.09 0.00 0.77 0.00 0.00 66.41 66.99 1s9x h THR 80 Cb 0.67 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1s9x h THR 80 CO 0.14 0.01 -0.40 -0.07 0.37 0.00 0.00 175.52 175.57 1s9x h LEU 81 N 0.05 0.03 0.19 2.58 3.38 0.04 -1.83 115.31 119.76 1s9x h LEU 81 Ca 0.31 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 1s9x h LEU 81 Cb 0.50 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1s9x h LEU 81 CO -0.59 0.43 -0.15 -0.09 0.09 0.00 0.00 178.44 178.14 1s9x h ARG 82 N 0.03 -0.33 -0.05 1.13 2.43 -0.05 -1.34 114.38 116.19 1s9x h ARG 82 Ca -0.00 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1s9x h ARG 82 Cb 0.72 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.32 1s9x h ARG 82 CO 0.05 -0.22 -0.13 0.78 -1.51 0.00 0.00 179.97 178.94 1s9x h GLY 83 N -0.34 -0.12 -0.26 2.80 0.00 -1.12 -1.20 103.07 102.82 1s9x h GLY 83 Ca -0.01 0.15 0.14 0.00 0.00 0.00 0.00 47.33 47.62 1s9x h GLY 83 CO -0.01 -0.13 -0.06 -0.97 0.00 0.00 0.00 176.54 175.37 1s9x h TYR 84 N -0.20 -0.17 -0.35 5.60 -1.99 -1.01 0.33 116.97 119.20 1s9x h TYR 84 Ca 0.06 0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.85 1s9x h TYR 84 Cb 0.28 0.18 0.00 0.00 2.00 0.00 0.00 36.73 39.19 1s9x h TYR 84 CO -0.21 -0.24 0.00 0.66 -0.00 0.00 0.00 178.16 178.37 1s9x n TYR 85 N -5.37 0.60 -3.92 4.88 4.01 -0.54 -4.95 117.16 111.88 1s9x n TYR 85 Ca 0.10 -0.27 -0.36 0.00 -0.16 0.00 0.00 57.90 57.21 1s9x n TYR 85 Cb 0.39 -0.07 0.01 0.00 -0.31 0.00 0.00 39.34 39.37 1s9x n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1s9x n ASN 86 N 0.51 -4.58 -4.62 7.72 5.15 0.12 -4.98 115.26 114.57 1s9x n ASN 86 Ca 0.12 -1.13 -0.23 0.00 -0.60 0.00 0.00 54.58 52.74 1s9x n ASN 86 Cb 0.39 -1.85 -0.08 0.00 -0.53 0.00 0.00 39.78 37.72 1s9x n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1s9x s GLN 87 N -6.27 2.19 0.47 1.20 -0.21 -0.80 -5.04 119.66 111.21 1s9x s GLN 87 Ca 0.29 -1.51 -0.22 0.00 0.02 0.00 0.00 55.36 53.93 1s9x s GLN 87 Cb -0.15 -2.08 -0.07 0.00 1.00 0.00 0.00 33.01 31.71 1s9x s GLN 87 CO 0.93 0.32 1.15 -1.54 -2.12 0.00 0.00 175.29 174.03 1s9x s SER 88 N -3.67 6.10 0.00 5.90 1.04 -1.26 -4.78 113.70 117.03 1s9x s SER 88 Ca 0.32 2.27 0.04 0.00 0.48 0.00 0.00 55.95 59.07 1s9x s SER 88 Cb -0.05 -2.60 0.27 0.00 0.10 0.00 0.00 66.02 63.74 1s9x s SER 88 CO 0.19 -0.96 1.08 -0.62 0.98 0.00 0.00 173.24 173.91 1s9x n GLU 89 N -0.64 0.90 -0.04 4.02 1.02 -1.26 -3.71 120.64 120.92 1s9x n GLU 89 Ca 0.08 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.01 1s9x n GLU 89 Cb 0.49 -1.08 -0.13 0.00 -0.02 0.00 0.00 31.44 30.70 1s9x n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s9x n ALA 90 N -0.58 0.96 -1.54 0.62 0.00 -1.26 -4.74 120.51 113.97 1s9x n ALA 90 Ca 0.03 -0.67 -0.31 0.00 0.00 0.00 0.00 53.44 52.49 1s9x n ALA 90 Cb 0.02 -0.53 0.05 0.00 0.00 0.00 0.00 19.45 18.99 1s9x n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1s9x s GLY 91 N -5.58 1.70 -0.12 0.00 0.00 -1.24 -4.59 107.32 97.48 1s9x s GLY 91 Ca -0.26 0.12 -0.23 0.00 0.00 0.00 0.00 44.72 44.35 1s9x s GLY 91 CO 0.70 0.44 0.69 -0.45 0.00 0.00 0.00 173.10 174.47 1s9x s SER 92 N -3.69 6.89 0.07 1.64 0.15 -1.26 -4.73 113.70 112.77 1s9x s SER 92 Ca 0.59 1.07 0.08 0.00 0.70 0.00 0.00 55.95 58.38 1s9x s SER 92 Cb -0.14 -2.39 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 1s9x s SER 92 CO 0.54 -0.19 -0.20 -1.00 1.20 0.00 0.00 173.24 173.59 1s9x s HIS 93 N 1.26 1.78 0.00 3.44 4.02 -1.26 -4.92 115.29 119.61 1s9x s HIS 93 Ca 0.35 -0.39 0.02 0.00 1.02 0.00 0.00 55.06 56.06 1s9x s HIS 93 Cb -0.17 -1.02 -0.04 0.00 -1.02 0.00 0.00 32.58 30.33 1s9x s HIS 93 CO 0.15 0.13 -0.02 0.99 1.02 0.00 0.00 174.74 177.01 1s9x s THR 94 N -0.95 3.97 -0.08 1.30 2.01 -1.26 -1.78 115.64 118.85 1s9x s THR 94 Ca 0.07 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.41 1s9x s THR 94 Cb -0.09 -2.76 0.02 0.00 0.01 0.00 0.00 72.50 69.68 1s9x s THR 94 CO 0.03 0.38 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.55 1s9x s VAL 95 N -1.06 1.04 0.02 3.82 1.01 -0.10 -0.59 120.40 124.55 1s9x s VAL 95 Ca 0.19 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 61.86 1s9x s VAL 95 Cb -0.11 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1s9x s VAL 95 CO 0.09 0.35 -0.23 -1.10 0.00 0.00 0.00 175.10 174.21 1s9x s GLN 96 N 1.00 1.65 -0.01 2.72 -0.21 -0.84 -0.62 119.66 123.35 1s9x s GLN 96 Ca -0.08 -0.91 -0.02 0.00 0.02 0.00 0.00 55.36 54.37 1s9x s GLN 96 Cb -0.15 -1.70 0.00 0.00 1.00 0.00 0.00 33.01 32.16 1s9x s GLN 96 CO -0.00 0.45 0.04 0.50 -2.12 0.00 0.00 175.29 174.16 1s9x s ARG 97 N -0.91 0.10 -0.01 2.91 3.52 0.36 -0.58 118.95 124.35 1s9x s ARG 97 Ca 0.09 -0.03 -0.05 0.00 -0.13 0.00 0.00 55.73 55.61 1s9x s ARG 97 Cb -0.09 0.04 -0.00 0.00 -1.56 0.00 0.00 34.95 33.35 1s9x s ARG 97 CO 0.01 -0.02 0.10 1.41 -0.81 0.00 0.00 175.30 175.99 1s9x s MET 98 N -0.20 0.36 -0.01 5.12 1.75 -0.36 0.42 119.30 126.38 1s9x s MET 98 Ca -0.02 -0.29 -0.29 0.00 -1.25 0.00 0.00 55.69 53.84 1s9x s MET 98 Cb -0.02 0.15 0.10 0.00 2.84 0.00 0.00 34.83 37.90 1s9x s MET 98 CO 0.00 -0.08 0.87 1.52 -0.65 0.00 0.00 175.02 176.68 1s9x s TYR 99 N -1.02 -0.38 -2.44 4.11 -0.85 -1.05 0.13 117.35 115.84 1s9x s TYR 99 Ca -0.11 0.31 0.00 0.00 -0.52 0.00 0.00 57.07 56.75 1s9x s TYR 99 Cb -0.06 0.52 0.00 0.00 0.38 0.00 0.00 41.96 42.80 1s9x s TYR 99 CO 0.01 -0.54 0.00 0.41 -1.52 0.00 0.00 175.55 173.90 1s9x n GLY 100 N -0.09 -1.18 3.15 5.49 0.00 -0.40 -1.27 105.19 110.90 1s9x n GLY 100 Ca -0.10 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 1s9x n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s9x s ASP 102 N -1.88 4.36 0.04 0.00 1.01 0.97 -1.78 116.67 119.38 1s9x s ASP 102 Ca -0.08 -0.29 0.03 0.00 0.71 0.00 0.00 52.55 52.92 1s9x s ASP 102 Cb -0.03 -0.89 -0.02 0.00 1.01 0.00 0.00 42.92 42.99 1s9x s ASP 102 CO -0.02 0.24 -0.10 0.68 0.21 0.00 0.00 175.17 176.17 1s9x s VAL 103 N -1.06 0.79 0.00 -1.27 -7.23 0.66 -0.44 120.40 111.85 1s9x s VAL 103 Ca 0.18 -1.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.35 1s9x s VAL 103 Cb -0.11 -0.77 0.00 0.00 0.56 0.00 0.00 36.38 36.06 1s9x s VAL 103 CO 0.09 -0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 1s9x n GLY 104 N 1.72 -2.16 0.22 2.32 0.00 -0.69 -1.03 105.19 105.58 1s9x n GLY 104 Ca -0.20 -1.43 0.14 0.00 0.00 0.00 0.00 46.02 44.54 1s9x n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1s9x h SER 105 N -0.28 0.00 -0.11 1.61 0.02 -1.92 -2.20 113.55 110.68 1s9x h SER 105 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1s9x h SER 105 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1s9x h SER 105 CO 0.00 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 174.79 1s9x n ASP 106 N -2.91 1.70 -3.08 3.07 5.68 -1.26 -4.84 116.55 114.91 1s9x n ASP 106 Ca 0.03 -1.64 -0.20 0.00 -0.50 0.00 0.00 54.79 52.48 1s9x n ASP 106 Cb 0.39 -0.06 0.07 0.00 -1.14 0.00 0.00 41.12 40.38 1s9x n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1s9x n TRP 107 N 0.33 -2.41 -4.34 2.11 7.02 -0.83 -5.02 117.44 114.30 1s9x n TRP 107 Ca 0.17 0.85 -0.29 0.00 -1.02 0.00 0.00 57.50 57.21 1s9x n TRP 107 Cb 0.36 -4.38 -0.12 0.00 -2.42 0.00 0.00 31.31 24.75 1s9x n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1s9x s ARG 108 N -6.08 1.77 -0.01 -0.99 0.52 -1.26 -4.83 118.95 108.06 1s9x s ARG 108 Ca 0.48 -1.18 -0.38 0.00 -0.52 0.00 0.00 55.73 54.14 1s9x s ARG 108 Cb -0.21 -2.10 -0.16 0.00 0.52 0.00 0.00 34.95 33.00 1s9x s ARG 108 CO 0.61 0.48 1.45 0.34 0.02 0.00 0.00 175.30 178.20 1s9x n PHE 109 N 0.87 1.66 -0.04 -0.53 -0.00 -1.26 -1.70 117.46 116.46 1s9x n PHE 109 Ca -0.16 0.60 -0.09 0.00 -0.00 0.00 0.00 57.45 57.80 1s9x n PHE 109 Cb 0.53 -2.37 -0.03 0.00 -0.00 0.00 0.00 39.48 37.61 1s9x n PHE 109 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1s9x n LEU 110 N 3.28 1.27 -3.59 -2.13 4.77 0.42 -4.84 117.00 116.18 1s9x n LEU 110 Ca 0.20 0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 56.27 1s9x n LEU 110 Cb 0.18 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.75 1s9x n LEU 110 CO 0.67 -0.15 0.22 0.00 -1.33 0.00 0.00 177.39 176.79 1s9x s ARG 111 N -2.36 1.07 0.15 3.23 1.70 -1.20 -4.98 118.95 116.57 1s9x s ARG 111 Ca -0.16 -0.54 0.05 0.00 -0.47 0.00 0.00 55.73 54.61 1s9x s ARG 111 Cb 0.04 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.86 1s9x s ARG 111 CO 0.22 -0.42 -0.11 0.20 -1.08 0.00 0.00 175.30 174.12 1s9x s GLY 112 N -2.54 1.10 -0.13 3.88 0.00 -1.26 -0.02 107.32 108.35 1s9x s GLY 112 Ca 0.00 -1.47 -0.27 0.00 0.00 0.00 0.00 44.72 42.98 1s9x s GLY 112 CO -0.09 -1.56 0.66 -2.52 0.00 0.00 0.00 173.10 169.59 1s9x s TYR 113 N -3.08 -0.67 -0.21 1.90 -0.85 -0.69 -4.88 117.35 108.88 1s9x s TYR 113 Ca 0.16 1.36 -0.04 0.00 -0.52 0.00 0.00 57.07 58.02 1s9x s TYR 113 Cb 0.01 0.34 0.09 0.00 0.38 0.00 0.00 41.96 42.78 1s9x s TYR 113 CO 0.02 -0.50 0.22 -1.58 -1.52 0.00 0.00 175.55 172.18 1s9x s HIS 114 N -0.60 -0.27 0.01 -3.49 2.46 -1.26 -1.27 115.29 110.86 1s9x s HIS 114 Ca -0.07 0.19 0.08 0.00 0.47 0.00 0.00 55.06 55.74 1s9x s HIS 114 Cb -0.02 -0.37 -0.02 0.00 -0.13 0.00 0.00 32.58 32.03 1s9x s HIS 114 CO 0.06 -0.61 -0.26 -0.65 -2.47 0.00 0.00 174.74 170.81 1s9x s GLN 115 N 2.32 1.99 -0.04 2.88 -0.21 0.12 -1.66 119.66 125.06 1s9x s GLN 115 Ca 0.07 -1.00 0.05 0.00 0.02 0.00 0.00 55.36 54.50 1s9x s GLN 115 Cb -0.16 -2.03 -0.01 0.00 1.00 0.00 0.00 33.01 31.82 1s9x s GLN 115 CO -0.13 0.54 -0.19 -0.47 -2.12 0.00 0.00 175.29 172.92 1s9x s TYR 116 N -0.70 1.87 0.11 0.91 5.04 -0.23 -1.22 117.35 123.12 1s9x s TYR 116 Ca 0.11 -0.51 0.05 0.00 -2.44 0.00 0.00 57.07 54.28 1s9x s TYR 116 Cb -0.10 -1.24 -0.04 0.00 0.35 0.00 0.00 41.96 40.93 1s9x s TYR 116 CO 0.00 -0.15 -0.12 0.00 -1.34 0.00 0.00 175.55 173.94 1s9x s ALA 117 N -0.09 1.31 -0.23 3.97 0.00 0.26 -1.56 121.76 125.41 1s9x s ALA 117 Ca -0.02 -1.25 -0.02 0.00 0.00 0.00 0.00 51.96 50.67 1s9x s ALA 117 Cb -0.11 -0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.06 1s9x s ALA 117 CO 0.02 0.03 0.06 -0.47 0.00 0.00 0.00 175.76 175.39 1s9x s TYR 118 N -2.33 1.18 -0.82 0.00 5.04 -1.01 -1.99 117.35 117.43 1s9x s TYR 118 Ca 0.07 -1.12 -0.01 0.00 -2.44 0.00 0.00 57.07 53.58 1s9x s TYR 118 Cb -0.04 -1.21 0.00 0.00 0.35 0.00 0.00 41.96 41.06 1s9x s TYR 118 CO 0.01 -0.70 0.11 -0.25 -1.34 0.00 0.00 175.55 173.38 1s9x n ASP 119 N 5.00 -3.51 0.00 4.32 8.00 0.24 -3.57 116.55 127.04 1s9x n ASP 119 Ca -0.07 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1s9x n ASP 119 Cb 0.45 -2.63 0.00 0.00 -0.02 0.00 0.00 41.12 38.92 1s9x n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s9x n GLY 120 N -1.05 0.48 2.94 0.44 0.00 -1.26 -5.01 105.19 101.72 1s9x n GLY 120 Ca -0.10 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 1s9x n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s9x s LYS 121 N -1.91 0.26 0.35 1.61 1.02 -1.23 -5.12 119.74 114.73 1s9x s LYS 121 Ca 0.00 -0.24 -0.25 0.00 0.02 0.00 0.00 55.97 55.50 1s9x s LYS 121 Cb 0.00 -0.18 -0.13 0.00 -0.52 0.00 0.00 37.83 37.00 1s9x s LYS 121 CO 0.00 0.04 0.83 -0.25 -0.92 0.00 0.00 175.35 175.05 1s9x n ASP 122 N 2.66 0.40 0.00 2.83 8.00 -1.26 -2.41 116.55 126.78 1s9x n ASP 122 Ca -0.15 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.41 1s9x n ASP 122 Cb 0.58 -1.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 1s9x n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s9x n TYR 123 N -0.30 0.00 -3.59 1.24 9.36 -0.60 -4.69 117.16 118.57 1s9x n TYR 123 Ca 0.11 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.22 1s9x n TYR 123 Cb 0.35 0.09 -0.06 0.00 -0.63 0.00 0.00 39.34 39.09 1s9x n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1s9x s ILE 124 N -1.92 0.00 0.01 2.97 2.07 -1.07 -1.37 121.20 121.89 1s9x s ILE 124 Ca 0.00 0.00 -0.20 0.00 -1.41 0.00 0.00 60.65 59.04 1s9x s ILE 124 Cb 0.00 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.63 1s9x s ILE 124 CO 0.00 0.00 0.43 0.00 -1.91 0.00 0.00 174.94 173.46 1s9x s ALA 125 N -0.59 -1.09 -0.13 1.50 0.00 -0.77 -1.06 121.76 119.61 1s9x s ALA 125 Ca -0.01 0.49 -0.26 0.00 0.00 0.00 0.00 51.96 52.19 1s9x s ALA 125 Cb -0.02 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 1s9x s ALA 125 CO -0.00 -0.39 0.83 -1.17 0.00 0.00 0.00 175.76 175.03 1s9x s LEU 126 N -1.69 4.22 1.05 0.00 2.96 -0.67 -1.04 118.68 123.51 1s9x s LEU 126 Ca -0.08 1.24 -0.15 0.00 -0.22 0.00 0.00 54.13 54.92 1s9x s LEU 126 Cb -0.02 -3.25 0.21 0.00 0.50 0.00 0.00 46.19 43.63 1s9x s LEU 126 CO 0.01 -0.34 1.12 -0.54 -1.32 0.00 0.00 176.35 175.29 1s9x s LYS 127 N 1.80 0.04 0.20 1.98 1.02 -0.07 -4.52 119.74 120.18 1s9x s LYS 127 Ca 0.40 0.23 -0.19 0.00 0.02 0.00 0.00 55.97 56.43 1s9x s LYS 127 Cb -0.17 -1.72 0.16 0.00 -0.52 0.00 0.00 37.83 35.58 1s9x s LYS 127 CO 0.15 -2.93 1.59 1.49 -0.92 0.00 0.00 175.35 174.74 1s9x h GLU 128 N -2.02 -0.12 0.00 1.68 4.57 -1.89 -0.62 114.58 116.18 1s9x h GLU 128 Ca -0.51 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1s9x h GLU 128 Cb 1.32 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 1s9x h GLU 128 CO 0.51 -0.08 0.00 -0.40 -1.18 0.00 0.00 179.01 177.86 1s9x n ASP 129 N -5.44 0.17 -2.55 1.04 5.68 -1.26 -4.81 116.55 109.38 1s9x n ASP 129 Ca 0.05 0.58 -0.20 0.00 -0.50 0.00 0.00 54.79 54.72 1s9x n ASP 129 Cb 0.36 -0.60 0.01 0.00 -1.14 0.00 0.00 41.12 39.75 1s9x n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1s9x n LEU 130 N -1.72 -2.29 0.00 -2.12 4.77 -0.24 -4.84 117.00 110.56 1s9x n LEU 130 Ca -0.00 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1s9x n LEU 130 Cb 0.01 -2.79 0.00 0.00 -2.33 0.00 0.00 43.42 38.31 1s9x n LEU 130 CO 0.03 0.03 0.00 0.54 -1.33 0.00 0.00 177.39 176.66 1s9x n ARG 131 N -3.39 1.13 -4.24 3.23 1.74 -1.26 -4.66 116.66 109.21 1s9x n ARG 131 Ca -0.16 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.77 1s9x n ARG 131 Cb 0.64 -0.13 -0.10 0.00 -1.02 0.00 0.00 32.46 31.85 1s9x n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1s9x s SER 132 N -0.16 1.56 0.01 0.55 1.04 -1.26 -4.99 113.70 110.44 1s9x s SER 132 Ca 0.00 -1.07 0.08 0.00 0.48 0.00 0.00 55.95 55.43 1s9x s SER 132 Cb 0.00 0.04 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 1s9x s SER 132 CO 0.00 -0.43 -0.23 0.26 0.98 0.00 0.00 173.24 173.82 1s9x s TRP 133 N -3.46 2.43 -0.34 5.02 0.52 -1.26 -0.89 118.94 120.96 1s9x s TRP 133 Ca 0.19 -0.35 -0.10 0.00 0.02 0.00 0.00 56.10 55.86 1s9x s TRP 133 Cb 0.04 -1.48 0.01 0.00 -1.15 0.00 0.00 33.47 30.89 1s9x s TRP 133 CO 0.01 0.10 0.16 0.99 0.02 0.00 0.00 176.95 178.24 1s9x s THR 134 N -0.75 4.47 -0.17 2.01 2.01 -0.21 -4.94 115.64 118.07 1s9x s THR 134 Ca 0.12 -0.68 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 1s9x s THR 134 Cb -0.10 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 1s9x s THR 134 CO 0.01 -0.07 0.19 0.00 -0.69 0.00 0.00 174.62 174.06 1s9x s ALA 135 N 1.56 3.70 0.02 7.40 0.00 -1.26 -1.85 121.76 131.34 1s9x s ALA 135 Ca 0.03 -0.60 -0.26 0.00 0.00 0.00 0.00 51.96 51.13 1s9x s ALA 135 Cb -0.18 -2.20 -0.17 0.00 0.00 0.00 0.00 23.12 20.57 1s9x s ALA 135 CO 0.06 0.24 1.32 0.00 0.00 0.00 0.00 175.76 177.38 1s9x h ALA 136 N 6.26 -0.49 -3.00 0.00 0.00 -1.50 -3.47 119.26 117.07 1s9x h ALA 136 Ca -0.44 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1s9x h ALA 136 Cb 1.17 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1s9x h ALA 136 CO 0.72 -0.64 0.00 -0.40 0.00 0.00 0.00 179.25 178.93 1s9x n ASP 137 N -5.20 0.00 -0.16 0.00 5.68 -1.26 -5.00 116.55 110.61 1s9x n ASP 137 Ca -0.10 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.14 1s9x n ASP 137 Cb 0.27 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.29 1s9x n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1s9x h MET 138 N 0.00 0.46 0.38 0.11 2.86 -1.99 -2.38 114.93 114.36 1s9x h MET 138 Ca 0.00 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1s9x h MET 138 Cb 0.00 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 1s9x h MET 138 CO 0.00 0.30 -0.37 0.00 1.06 0.00 0.00 176.91 177.90 1s9x h ALA 139 N 1.26 -0.80 -0.69 6.32 0.00 -1.96 -2.56 119.26 120.83 1s9x h ALA 139 Ca 0.21 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.14 1s9x h ALA 139 Cb 0.12 0.53 -0.11 0.00 0.00 0.00 0.00 17.79 18.33 1s9x h ALA 139 CO -0.15 -0.99 0.09 0.00 0.00 0.00 0.00 179.25 178.20 1s9x h ALA 140 N -0.34 0.80 -0.76 0.00 0.00 -1.77 -1.14 119.26 116.06 1s9x h ALA 140 Ca -0.03 0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.24 1s9x h ALA 140 Cb 0.69 0.30 -0.13 0.00 0.00 0.00 0.00 17.79 18.64 1s9x h ALA 140 CO -0.06 -0.37 -0.03 1.96 0.00 0.00 0.00 179.25 180.74 1s9x h GLN 141 N 0.18 0.08 -0.76 0.00 1.08 -1.01 0.30 115.11 114.98 1s9x h GLN 141 Ca 0.38 -0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.60 1s9x h GLN 141 Cb 0.64 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.02 1s9x h GLN 141 CO -0.54 0.05 0.50 1.15 -0.95 0.00 0.00 178.83 179.04 1s9x h THR 142 N 0.08 1.16 -0.20 -0.54 2.02 -1.09 0.81 112.91 115.15 1s9x h THR 142 Ca 0.41 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 67.18 1s9x h THR 142 Cb 0.70 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1s9x h THR 142 CO -0.69 0.18 -0.12 0.74 0.37 0.00 0.00 175.52 176.00 1s9x h THR 143 N 0.98 1.31 -0.25 3.16 2.02 -0.46 -2.36 112.91 117.32 1s9x h THR 143 Ca 0.29 -1.22 0.06 0.00 0.77 0.00 0.00 66.41 66.31 1s9x h THR 143 Cb -0.03 1.68 -0.06 0.00 -1.74 0.00 0.00 68.15 68.00 1s9x h THR 143 CO -0.08 0.37 -0.13 0.50 0.37 0.00 0.00 175.52 176.55 1s9x h LYS 144 N 0.13 -0.10 -0.87 6.66 3.64 0.03 0.81 116.57 126.86 1s9x h LYS 144 Ca 0.04 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1s9x h LYS 144 Cb 0.63 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.42 1s9x h LYS 144 CO 0.03 -0.07 0.57 0.45 -2.27 0.00 0.00 179.45 178.17 1s9x h HIS 145 N -0.11 1.01 -0.31 1.91 3.86 -0.85 0.44 115.15 121.10 1s9x h HIS 145 Ca 0.14 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.23 1s9x h HIS 145 Cb 0.31 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1s9x h HIS 145 CO -0.31 0.55 -0.37 -0.22 0.86 0.00 0.00 177.93 178.43 1s9x h LYS 146 N 1.01 0.73 0.00 2.45 3.64 -0.44 -2.30 116.57 121.66 1s9x h LYS 146 Ca 0.37 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1s9x h LYS 146 Cb 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1s9x h LYS 146 CO -0.13 0.98 0.00 -1.49 -2.27 0.00 0.00 179.45 176.55 1s9x h TRP 147 N 0.60 0.00 0.03 1.91 4.06 0.20 -2.55 115.95 120.20 1s9x h TRP 147 Ca 0.06 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.89 1s9x h TRP 147 Cb 0.91 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.06 1s9x h TRP 147 CO 0.05 0.00 -0.60 0.93 -3.56 0.00 0.00 178.44 175.26 1s9x h GLU 148 N 0.00 0.06 -0.09 0.49 5.08 -0.80 -1.54 114.58 117.78 1s9x h GLU 148 Ca 0.00 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1s9x h GLU 148 Cb 0.66 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1s9x h GLU 148 CO 0.00 1.05 0.09 0.00 -1.00 0.00 0.00 179.01 179.15 1s9x h ALA 149 N -0.13 1.85 -0.01 3.43 0.00 -1.43 -1.11 119.26 121.86 1s9x h ALA 149 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1s9x h ALA 149 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1s9x h ALA 149 CO -0.03 -0.13 -0.39 0.00 0.00 0.00 0.00 179.25 178.69 1s9x n ALA 150 N -2.43 3.38 -3.19 0.00 0.00 -0.96 -4.97 120.51 112.33 1s9x n ALA 150 Ca -0.01 -0.49 -0.23 0.00 0.00 0.00 0.00 53.44 52.71 1s9x n ALA 150 Cb 0.19 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.68 1s9x n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1s9x n HIS 151 N -0.57 -2.17 -0.03 0.00 -0.00 -0.42 -4.87 115.22 107.16 1s9x n HIS 151 Ca 0.10 0.64 0.02 0.00 -0.00 0.00 0.00 57.72 58.48 1s9x n HIS 151 Cb 0.38 -4.54 0.36 0.00 -0.00 0.00 0.00 29.99 26.20 1s9x n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1s9x h VAL 152 N -1.67 1.15 -0.38 1.59 2.07 -1.57 -2.34 116.25 115.10 1s9x h VAL 152 Ca -0.54 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 66.60 1s9x h VAL 152 Cb 1.36 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 1s9x h VAL 152 CO 0.57 0.17 0.16 0.00 0.02 0.00 0.00 177.57 178.49 1s9x h ALA 153 N 1.63 0.45 -0.63 1.67 0.00 -1.90 0.13 119.26 120.62 1s9x h ALA 153 Ca 0.15 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1s9x h ALA 153 Cb 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1s9x h ALA 153 CO -0.02 -0.22 0.41 0.93 0.00 0.00 0.00 179.25 180.35 1s9x h GLU 154 N 0.34 0.81 0.11 0.00 3.07 -1.72 0.74 114.58 117.93 1s9x h GLU 154 Ca 0.17 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1s9x h GLU 154 Cb 0.11 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 1s9x h GLU 154 CO -0.14 0.54 -0.05 0.37 -1.40 0.00 0.00 179.01 178.32 1s9x h GLN 155 N 0.84 -0.14 -0.82 2.33 4.15 -1.13 -1.59 115.11 118.75 1s9x h GLN 155 Ca 0.24 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.73 1s9x h GLN 155 Cb -0.07 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.60 1s9x h GLN 155 CO -0.06 0.04 0.54 -0.07 -1.93 0.00 0.00 178.83 177.34 1s9x h LEU 156 N -0.30 0.81 -0.20 -2.39 3.38 -0.44 -1.89 115.31 114.28 1s9x h LEU 156 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1s9x h LEU 156 Cb 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1s9x h LEU 156 CO 0.03 0.53 0.03 -0.09 0.09 0.00 0.00 178.44 179.02 1s9x h ARG 157 N 0.92 0.33 -0.55 1.13 2.43 -0.65 0.13 114.38 118.11 1s9x h ARG 157 Ca 0.35 -0.09 0.04 0.00 -0.81 0.00 0.00 59.98 59.47 1s9x h ARG 157 Cb 0.20 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 1s9x h ARG 157 CO -0.12 0.48 0.31 0.00 -1.51 0.00 0.00 179.97 179.13 1s9x h ALA 158 N 0.83 0.71 0.01 2.80 0.00 -0.81 0.85 119.26 123.66 1s9x h ALA 158 Ca 0.06 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1s9x h ALA 158 Cb 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1s9x h ALA 158 CO 0.00 -0.01 -0.01 -0.92 0.00 0.00 0.00 179.25 178.32 1s9x h TYR 159 N 0.60 -0.02 -0.55 0.00 3.20 -1.23 -0.85 116.97 118.12 1s9x h TYR 159 Ca 0.23 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 1s9x h TYR 159 Cb 0.09 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 1s9x h TYR 159 CO -0.08 0.28 0.14 -0.07 -1.64 0.00 0.00 178.16 176.79 1s9x h LEU 160 N -0.31 0.78 0.00 2.82 3.38 -0.51 0.21 115.31 121.68 1s9x h LEU 160 Ca -0.00 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 1s9x h LEU 160 Cb 0.30 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1s9x h LEU 160 CO 0.00 0.76 -1.00 -0.33 0.09 0.00 0.00 178.44 177.97 1s9x h GLU 161 N 0.81 0.00 0.00 1.13 5.08 -0.88 -3.38 114.58 117.35 1s9x h GLU 161 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1s9x h GLU 161 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1s9x h GLU 161 CO -0.00 0.37 0.00 0.41 -1.00 0.00 0.00 179.01 178.78 1s9x n GLY 162 N 1.31 0.17 0.33 -3.84 0.00 -0.33 -4.66 105.19 98.17 1s9x n GLY 162 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 1s9x n GLY 162 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s9x n THR 163 N 0.00 -0.44 0.01 2.61 -1.04 -1.08 -0.90 114.28 113.44 1s9x n THR 163 Ca 0.00 2.02 -0.11 0.00 -2.04 0.00 0.00 64.05 63.92 1s9x n THR 163 Cb 0.00 -2.69 -0.05 0.00 -1.82 0.00 0.00 70.33 65.78 1s9x n THR 163 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s9x h VAL 165 N -0.43 0.99 -0.58 0.00 2.07 -1.34 -0.50 116.25 116.46 1s9x h VAL 165 Ca 0.09 -0.18 0.11 0.00 0.82 0.00 0.00 66.70 67.54 1s9x h VAL 165 Cb 0.56 1.11 -0.11 0.00 -1.52 0.00 0.00 31.29 31.33 1s9x h VAL 165 CO -0.34 0.05 -0.23 -0.33 0.02 0.00 0.00 177.57 176.74 1s9x h GLU 166 N -0.17 -0.08 -0.49 1.57 5.08 -0.68 0.11 114.58 119.91 1s9x h GLU 166 Ca -0.01 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1s9x h GLU 166 Cb 0.14 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1s9x h GLU 166 CO 0.02 -0.05 -0.13 -1.49 -1.00 0.00 0.00 179.01 176.35 1s9x h TRP 167 N -0.08 1.04 -0.54 4.33 4.06 -0.92 -2.15 115.95 121.69 1s9x h TRP 167 Ca 0.26 -0.22 0.03 0.00 2.06 0.00 0.00 58.89 61.03 1s9x h TRP 167 Cb 0.50 -0.26 -0.04 0.00 -1.00 0.00 0.00 29.16 28.36 1s9x h TRP 167 CO -0.55 1.00 0.32 1.25 -3.56 0.00 0.00 178.44 176.90 1s9x h LEU 168 N 0.83 0.51 -0.27 -4.49 5.85 0.47 0.12 115.31 118.33 1s9x h LEU 168 Ca 0.13 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1s9x h LEU 168 Cb 0.68 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1s9x h LEU 168 CO 0.05 0.36 0.08 0.03 -0.34 0.00 0.00 178.44 178.62 1s9x h ARG 169 N 0.63 0.19 -0.12 1.25 3.08 -0.66 0.33 114.38 119.08 1s9x h ARG 169 Ca 0.22 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.30 1s9x h ARG 169 Cb 0.03 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1s9x h ARG 169 CO -0.10 0.12 -0.14 -0.09 -1.07 0.00 0.00 179.97 178.69 1s9x h ARG 170 N 0.19 -0.16 -0.78 0.04 2.43 -0.66 0.21 114.38 115.65 1s9x h ARG 170 Ca 0.12 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1s9x h ARG 170 Cb 0.11 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1s9x h ARG 170 CO -0.14 -0.11 0.28 1.88 -1.51 0.00 0.00 179.97 180.37 1s9x h TYR 171 N -0.17 1.22 -0.56 2.20 0.05 -0.54 -1.41 116.97 117.76 1s9x h TYR 171 Ca 0.09 -0.11 0.05 0.00 0.05 0.00 0.00 58.73 58.81 1s9x h TYR 171 Cb 0.30 -0.36 -0.05 0.00 1.01 0.00 0.00 36.73 37.63 1s9x h TYR 171 CO -0.25 0.94 0.28 -0.07 -1.05 0.00 0.00 178.16 178.01 1s9x h LEU 172 N 1.15 0.39 0.21 3.88 3.38 -0.21 0.64 115.31 124.75 1s9x h LEU 172 Ca 0.26 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1s9x h LEU 172 Cb 0.26 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1s9x h LEU 172 CO -0.01 0.26 -0.10 -0.33 0.09 0.00 0.00 178.44 178.35 1s9x h GLU 173 N 0.53 -0.27 0.00 1.13 5.08 -0.10 0.51 114.58 121.46 1s9x h GLU 173 Ca 0.25 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.59 1s9x h GLU 173 Cb 0.18 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1s9x h GLU 173 CO -0.18 -0.11 -0.22 -0.91 -1.00 0.00 0.00 179.01 176.60 1s9x h ASN 174 N -0.39 0.00 -0.19 1.42 -0.26 -0.82 -2.83 115.58 112.51 1s9x h ASN 174 Ca -0.03 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1s9x h ASN 174 Cb 0.30 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.56 1s9x h ASN 174 CO 0.05 0.22 0.00 0.61 -1.06 0.00 0.00 177.43 177.24 1s9x n GLY 175 N -0.71 1.14 0.34 2.83 0.00 0.22 -4.57 105.19 104.45 1s9x n GLY 175 Ca -0.02 -0.66 0.05 0.00 0.00 0.00 0.00 46.02 45.39 1s9x n GLY 175 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1s9x n LYS 176 N 1.20 -0.10 0.18 1.61 4.81 0.15 1.00 118.16 127.02 1s9x n LYS 176 Ca 0.17 1.45 0.13 0.00 -0.87 0.00 0.00 58.31 59.19 1s9x n LYS 176 Cb 0.55 -2.17 0.41 0.00 0.02 0.00 0.00 35.03 33.85 1s9x n LYS 176 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1s9x h GLU 177 N 0.00 0.00 0.00 1.64 4.81 -1.83 -3.22 114.58 115.98 1s9x h GLU 177 Ca 0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1s9x h GLU 177 Cb 0.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1s9x h GLU 177 CO -0.96 0.00 -0.05 0.25 -0.73 0.00 0.00 179.01 177.52 1s9x n THR 178 N -2.92 0.09 -0.32 0.32 -2.24 0.28 -4.82 114.28 104.66 1s9x n THR 178 Ca 0.05 0.03 0.18 0.00 -2.27 0.00 0.00 64.05 62.04 1s9x n THR 178 Cb 0.90 -0.63 0.38 0.00 -2.10 0.00 0.00 70.33 68.87 1s9x n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1s9x h LEU 179 N 0.00 0.38 -0.78 3.22 3.38 0.18 0.14 115.31 121.83 1s9x h LEU 179 Ca 0.00 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1s9x h LEU 179 Cb 0.05 0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1s9x h LEU 179 CO 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.46 1s9x n GLN 180 N -5.06 1.50 -2.30 1.13 6.02 -1.22 -4.88 117.38 112.57 1s9x n GLN 180 Ca 0.26 -0.76 -0.26 0.00 -0.01 0.00 0.00 57.00 56.22 1s9x n GLN 180 Cb 0.79 -1.28 0.05 0.00 1.02 0.00 0.00 30.24 30.82 1s9x n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1s9x s ARG 181 N -1.79 2.62 -0.14 -1.09 1.70 0.50 -5.02 118.95 115.74 1s9x s ARG 181 Ca 0.24 -0.10 -0.04 0.00 -0.47 0.00 0.00 55.73 55.36 1s9x s ARG 181 Cb 0.12 -2.23 0.06 0.00 -0.57 0.00 0.00 34.95 32.34 1s9x s ARG 181 CO 0.18 -0.93 0.17 0.95 -1.08 0.00 0.00 175.30 174.60 1s9x s THR 182 N -3.10 -0.26 -0.48 4.99 -4.23 -1.26 -4.74 115.64 106.55 1s9x s THR 182 Ca 0.57 0.12 -0.19 0.00 -1.18 0.00 0.00 61.69 61.01 1s9x s THR 182 Cb -0.11 -0.47 0.05 0.00 1.34 0.00 0.00 72.50 73.31 1s9x s THR 182 CO 0.45 -0.03 0.58 -1.81 -0.54 0.00 0.00 174.62 173.27 1s9x s ASP 183 N 2.28 6.23 0.53 3.99 1.01 -0.02 -4.84 116.67 125.86 1s9x s ASP 183 Ca 0.04 -0.79 -0.21 0.00 0.71 0.00 0.00 52.55 52.30 1s9x s ASP 183 Cb -0.14 -2.28 -0.05 0.00 1.01 0.00 0.00 42.92 41.46 1s9x s ASP 183 CO -0.08 -0.81 1.25 0.00 0.21 0.00 0.00 175.17 175.74 1s9x s ALA 184 N 2.53 2.78 0.37 5.23 0.00 -1.26 -1.27 121.76 130.14 1s9x s ALA 184 Ca 0.15 1.11 -0.27 0.00 0.00 0.00 0.00 51.96 52.96 1s9x s ALA 184 Cb -0.18 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.37 1s9x s ALA 184 CO 0.13 -1.09 1.20 -1.25 0.00 0.00 0.00 175.76 174.75 1s9x s PRO 185 N -2.97 4.19 -0.38 0.00 0.04 -1.26 -4.61 135.00 130.01 1s9x s PRO 185 Ca 0.71 1.95 -0.19 0.00 0.04 0.00 0.00 61.00 63.51 1s9x s PRO 185 Cb -0.34 -2.84 0.01 0.00 0.04 0.00 0.00 34.50 31.37 1s9x s PRO 185 CO 0.39 -0.24 0.54 0.15 0.04 0.00 0.00 177.00 177.89 1s9x s LYS 186 N -2.07 3.50 0.33 4.56 1.02 0.16 -4.85 119.74 122.40 1s9x s LYS 186 Ca 0.54 -0.25 0.08 0.00 0.02 0.00 0.00 55.97 56.35 1s9x s LYS 186 Cb -0.34 -3.85 -0.03 0.00 -0.52 0.00 0.00 37.83 33.09 1s9x s LYS 186 CO 0.43 -0.75 0.21 0.95 -0.92 0.00 0.00 175.35 175.28 1s9x s THR 187 N 2.48 3.36 -0.05 2.17 -4.23 -1.26 -1.70 115.64 116.41 1s9x s THR 187 Ca 0.19 -1.53 -0.31 0.00 -1.18 0.00 0.00 61.69 58.87 1s9x s THR 187 Cb -0.15 -3.10 0.12 0.00 1.34 0.00 0.00 72.50 70.71 1s9x s THR 187 CO 0.15 -0.19 1.13 -1.38 -0.54 0.00 0.00 174.62 173.79 1s9x s HIS 188 N -2.35 -0.15 0.08 3.99 -3.43 -0.91 -5.01 115.29 107.52 1s9x s HIS 188 Ca 0.39 0.03 0.07 0.00 -0.80 0.00 0.00 55.06 54.74 1s9x s HIS 188 Cb -0.04 0.55 -0.03 0.00 -1.43 0.00 0.00 32.58 31.62 1s9x s HIS 188 CO 0.25 -0.38 -0.18 1.41 -2.00 0.00 0.00 174.74 173.83 1s9x s MET 189 N -2.68 1.05 -0.08 -0.38 1.75 -1.26 -0.72 119.30 116.98 1s9x s MET 189 Ca 0.10 -1.02 0.04 0.00 -1.25 0.00 0.00 55.69 53.57 1s9x s MET 189 Cb 0.01 -1.19 -0.00 0.00 2.84 0.00 0.00 34.83 36.48 1s9x s MET 189 CO -0.04 0.28 -0.23 0.95 -0.65 0.00 0.00 175.02 175.33 1s9x s THR 190 N -1.10 1.94 -0.28 10.11 -4.23 -0.67 -4.97 115.64 116.43 1s9x s THR 190 Ca 0.04 -0.97 -0.01 0.00 -1.18 0.00 0.00 61.69 59.57 1s9x s THR 190 Cb -0.10 -1.67 0.05 0.00 1.34 0.00 0.00 72.50 72.12 1s9x s THR 190 CO 0.03 0.54 -0.03 -2.28 -0.54 0.00 0.00 174.62 172.33 1s9x s HIS 191 N 0.20 3.22 -0.09 3.99 2.46 -1.26 -1.61 115.29 122.20 1s9x s HIS 191 Ca -0.13 -1.87 0.01 0.00 0.47 0.00 0.00 55.06 53.54 1s9x s HIS 191 Cb -0.16 -2.07 0.02 0.00 -0.13 0.00 0.00 32.58 30.24 1s9x s HIS 191 CO 0.07 -0.80 -0.09 -1.01 -2.47 0.00 0.00 174.74 170.44 1s9x s HIS 192 N 1.25 1.43 0.21 3.88 3.76 -0.71 -5.00 115.29 120.11 1s9x s HIS 192 Ca -0.05 -0.63 -0.32 0.00 -0.15 0.00 0.00 55.06 53.91 1s9x s HIS 192 Cb -0.19 -1.13 -0.13 0.00 1.11 0.00 0.00 32.58 32.23 1s9x s HIS 192 CO -0.02 -0.40 1.52 0.00 -0.85 0.00 0.00 174.74 174.99 1s9x n ALA 193 N 4.45 1.51 -0.03 -1.40 0.00 -1.26 -1.66 120.51 122.12 1s9x n ALA 193 Ca -0.17 0.42 -0.07 0.00 0.00 0.00 0.00 53.44 53.62 1s9x n ALA 193 Cb 0.51 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.59 1s9x n ALA 193 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1s9x n VAL 194 N 2.71 1.25 -2.20 0.00 3.14 -1.03 -4.84 118.33 117.34 1s9x n VAL 194 Ca 0.14 0.18 0.00 0.00 -2.96 0.00 0.00 64.34 61.69 1s9x n VAL 194 Cb 0.31 -1.91 0.00 0.00 -1.06 0.00 0.00 33.84 31.18 1s9x n VAL 194 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1s9x n SER 195 N -3.91 0.55 0.06 6.55 2.88 -1.02 -4.98 113.62 113.75 1s9x n SER 195 Ca -0.11 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.54 1s9x n SER 195 Cb 0.35 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.84 1s9x n SER 195 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1s9x n ASP 196 N 0.00 0.67 0.00 -3.46 8.00 -1.26 -4.29 116.55 116.21 1s9x n ASP 196 Ca 0.00 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1s9x n ASP 196 Cb 0.00 0.64 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 1s9x n ASP 196 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s9x n HIS 197 N -2.33 0.00 -4.26 1.24 1.44 -1.26 -5.05 115.22 105.01 1s9x n HIS 197 Ca 0.01 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.47 1s9x n HIS 197 Cb 0.50 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.53 1s9x n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1s9x s GLU 198 N -0.31 2.33 0.02 -1.40 2.02 -1.26 0.04 118.70 120.14 1s9x s GLU 198 Ca 0.00 -1.29 0.01 0.00 0.02 0.00 0.00 54.97 53.70 1s9x s GLU 198 Cb 0.00 -2.24 -0.01 0.00 0.10 0.00 0.00 34.13 31.98 1s9x s GLU 198 CO 0.00 0.40 -0.03 0.00 0.02 0.00 0.00 175.26 175.65 1s9x s ALA 199 N -2.08 0.19 -0.17 5.21 0.00 -0.17 -2.43 121.76 122.32 1s9x s ALA 199 Ca 0.30 -0.45 -0.05 0.00 0.00 0.00 0.00 51.96 51.76 1s9x s ALA 199 Cb -0.08 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 1s9x s ALA 199 CO 0.19 -0.08 -0.00 0.99 0.00 0.00 0.00 175.76 176.86 1s9x s THR 200 N -0.98 4.19 -0.17 0.00 2.01 -0.67 -1.34 115.64 118.68 1s9x s THR 200 Ca -0.10 -0.25 -0.00 0.00 0.31 0.00 0.00 61.69 61.65 1s9x s THR 200 Cb -0.07 -2.86 -0.00 0.00 0.01 0.00 0.00 72.50 69.58 1s9x s THR 200 CO -0.00 0.48 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.51 1s9x s LEU 201 N 0.38 2.54 -0.15 4.42 1.43 -0.78 -1.73 118.68 124.79 1s9x s LEU 201 Ca -0.02 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1s9x s LEU 201 Cb -0.14 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.50 1s9x s LEU 201 CO 0.02 0.06 -0.18 -0.60 0.23 0.00 0.00 176.35 175.88 1s9x s ARG 202 N 0.94 3.13 -0.17 1.70 3.52 -0.63 -0.93 118.95 126.52 1s9x s ARG 202 Ca -0.03 -0.80 -0.18 0.00 -0.13 0.00 0.00 55.73 54.60 1s9x s ARG 202 Cb -0.15 -2.54 -0.04 0.00 -1.56 0.00 0.00 34.95 30.66 1s9x s ARG 202 CO -0.02 0.01 0.49 0.00 -0.81 0.00 0.00 175.30 174.97 1s9x s TRP 204 N 1.29 2.87 -0.19 0.00 0.52 0.10 -1.12 118.94 122.41 1s9x s TRP 204 Ca 0.24 -0.52 0.01 0.00 0.02 0.00 0.00 56.10 55.85 1s9x s TRP 204 Cb -0.15 -1.87 0.03 0.00 -1.15 0.00 0.00 33.47 30.34 1s9x s TRP 204 CO 0.10 -0.14 -0.13 0.00 0.02 0.00 0.00 176.95 176.79 1s9x s ALA 205 N 0.30 2.08 0.25 0.98 0.00 -0.20 -2.14 121.76 123.04 1s9x s ALA 205 Ca -0.08 -1.18 0.05 0.00 0.00 0.00 0.00 51.96 50.75 1s9x s ALA 205 Cb -0.15 -1.23 -0.05 0.00 0.00 0.00 0.00 23.12 21.68 1s9x s ALA 205 CO 0.05 -0.65 -0.02 -0.51 0.00 0.00 0.00 175.76 174.63 1s9x s LEU 206 N 1.37 2.31 -1.45 0.00 1.43 -0.69 -1.38 118.68 120.28 1s9x s LEU 206 Ca 0.01 -1.21 -0.07 0.00 -1.03 0.00 0.00 54.13 51.83 1s9x s LEU 206 Cb -0.15 -0.42 0.05 0.00 0.03 0.00 0.00 46.19 45.70 1s9x s LEU 206 CO -0.09 -0.45 0.76 -1.20 0.23 0.00 0.00 176.35 175.60 1s9x n SER 207 N -0.49 -2.54 -4.49 2.29 7.64 -0.98 -0.67 113.62 114.37 1s9x n SER 207 Ca -0.05 -0.86 -0.26 0.00 1.01 0.00 0.00 58.87 58.71 1s9x n SER 207 Cb 0.64 -3.69 -0.10 0.00 -1.01 0.00 0.00 64.21 60.04 1s9x n SER 207 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1s9x s PHE 208 N -3.55 2.45 -0.19 1.43 -0.12 -1.11 -4.59 117.98 112.31 1s9x s PHE 208 Ca 0.31 -0.30 -0.14 0.00 -0.05 0.00 0.00 56.93 56.76 1s9x s PHE 208 Cb -0.16 -1.19 0.06 0.00 -0.63 0.00 0.00 43.02 41.09 1s9x s PHE 208 CO 0.84 0.53 0.47 -0.47 -0.05 0.00 0.00 175.22 176.54 1s9x s TYR 209 N -1.77 -0.61 0.78 3.49 5.04 -0.40 -0.87 117.35 123.00 1s9x s TYR 209 Ca 0.23 1.38 -0.13 0.00 -2.44 0.00 0.00 57.07 56.11 1s9x s TYR 209 Cb -0.08 0.26 0.20 0.00 0.35 0.00 0.00 41.96 42.69 1s9x s TYR 209 CO 0.13 -0.32 0.60 -0.35 -1.34 0.00 0.00 175.55 174.27 1s9x n PRO 210 N 3.56 -2.78 0.21 4.97 -0.04 -1.26 -0.84 135.00 138.83 1s9x n PRO 210 Ca -0.18 -0.97 0.10 0.00 -0.04 0.00 0.00 63.50 62.40 1s9x n PRO 210 Cb 0.56 -1.02 0.36 0.00 -0.04 0.00 0.00 33.50 33.37 1s9x n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s9x h ALA 211 N -2.63 0.95 -2.28 0.55 0.00 -1.95 -3.46 119.26 110.44 1s9x h ALA 211 Ca -0.24 -0.21 -0.58 0.00 0.00 0.00 0.00 54.91 53.88 1s9x h ALA 211 Cb 0.76 -0.04 0.06 0.00 0.00 0.00 0.00 17.79 18.57 1s9x h ALA 211 CO 0.15 0.28 0.75 -1.91 0.00 0.00 0.00 179.25 178.53 1s9x n GLU 212 N -3.29 2.11 -3.60 0.00 4.07 -1.26 -4.97 120.64 113.70 1s9x n GLU 212 Ca 0.01 0.76 -0.05 0.00 -0.06 0.00 0.00 57.16 57.82 1s9x n GLU 212 Cb 0.49 -2.50 -0.03 0.00 -0.06 0.00 0.00 31.44 29.33 1s9x n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1s9x s ILE 213 N 0.69 0.00 -0.04 6.31 2.07 -1.26 -4.73 121.20 124.24 1s9x s ILE 213 Ca 0.76 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 60.03 1s9x s ILE 213 Cb -0.68 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 40.93 1s9x s ILE 213 CO 0.41 0.00 -0.09 -0.89 -1.91 0.00 0.00 174.94 172.45 1s9x s THR 214 N -1.69 0.85 -0.27 4.00 2.01 -0.78 -4.99 115.64 114.76 1s9x s THR 214 Ca 0.06 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.73 1s9x s THR 214 Cb -0.01 -0.79 0.07 0.00 0.01 0.00 0.00 72.50 71.79 1s9x s THR 214 CO -0.04 0.28 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.39 1s9x s LEU 215 N 0.53 3.11 -0.04 4.42 1.43 -1.26 -1.59 118.68 125.28 1s9x s LEU 215 Ca -0.09 -1.49 0.06 0.00 -1.03 0.00 0.00 54.13 51.58 1s9x s LEU 215 Cb -0.13 -1.28 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 1s9x s LEU 215 CO 0.02 -0.29 -0.23 0.42 0.23 0.00 0.00 176.35 176.49 1s9x s THR 216 N 1.28 1.90 0.06 5.49 -4.23 -1.03 -4.94 115.64 114.19 1s9x s THR 216 Ca -0.00 -1.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.38 1s9x s THR 216 Cb -0.19 -1.60 -0.06 0.00 1.34 0.00 0.00 72.50 71.99 1s9x s THR 216 CO -0.09 0.53 0.44 0.26 -0.54 0.00 0.00 174.62 175.22 1s9x s TRP 217 N -0.27 3.65 0.07 3.99 0.52 -1.26 -1.38 118.94 124.26 1s9x s TRP 217 Ca 0.01 0.94 0.04 0.00 0.02 0.00 0.00 56.10 57.11 1s9x s TRP 217 Cb -0.12 -2.26 -0.03 0.00 -1.15 0.00 0.00 33.47 29.91 1s9x s TRP 217 CO 0.02 0.55 -0.11 -0.65 0.02 0.00 0.00 176.95 176.77 1s9x s GLN 218 N -1.59 0.76 -0.11 4.98 -0.21 -0.03 0.17 119.66 123.64 1s9x s GLN 218 Ca 0.30 -0.97 0.03 0.00 0.02 0.00 0.00 55.36 54.74 1s9x s GLN 218 Cb -0.15 -0.61 0.01 0.00 1.00 0.00 0.00 33.01 33.25 1s9x s GLN 218 CO 0.17 0.12 -0.20 0.50 -2.12 0.00 0.00 175.29 173.75 1s9x s ARG 219 N -2.02 2.72 -1.13 2.91 3.52 0.15 -1.35 118.95 123.74 1s9x s ARG 219 Ca -0.02 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.83 1s9x s ARG 219 Cb -0.08 -2.15 0.00 0.00 -1.56 0.00 0.00 34.95 31.16 1s9x s ARG 219 CO 0.01 0.06 0.00 -0.25 -0.81 0.00 0.00 175.30 174.31 1s9x n ASP 220 N 3.84 -3.21 0.00 -2.12 8.00 0.53 0.15 116.55 123.74 1s9x n ASP 220 Ca -0.20 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1s9x n ASP 220 Cb 0.52 -2.96 0.00 0.00 -0.02 0.00 0.00 41.12 38.66 1s9x n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s9x n GLY 221 N -0.39 0.65 3.74 0.44 0.00 -1.26 -5.06 105.19 103.31 1s9x n GLY 221 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1s9x n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s9x s GLU 222 N -0.71 3.74 0.25 1.61 2.02 0.12 -5.01 118.70 120.72 1s9x s GLU 222 Ca 0.00 -0.26 -0.31 0.00 0.02 0.00 0.00 54.97 54.42 1s9x s GLU 222 Cb 0.00 -3.20 -0.12 0.00 0.10 0.00 0.00 34.13 30.91 1s9x s GLU 222 CO 0.00 0.49 1.66 -0.51 0.02 0.00 0.00 175.26 176.92 1s9x s ASP 223 N -0.22 6.38 -0.63 -0.19 1.01 -1.26 0.32 116.67 122.08 1s9x s ASP 223 Ca 0.09 2.90 -0.02 0.00 0.71 0.00 0.00 52.55 56.23 1s9x s ASP 223 Cb -0.12 -2.62 0.16 0.00 1.01 0.00 0.00 42.92 41.36 1s9x s ASP 223 CO 0.01 -0.94 0.44 -1.10 0.21 0.00 0.00 175.17 173.79 1s9x s GLN 224 N 0.38 2.55 -0.51 8.23 -1.52 0.13 -4.82 119.66 124.09 1s9x s GLN 224 Ca 0.69 -2.57 0.04 0.00 -1.95 0.00 0.00 55.36 51.57 1s9x s GLN 224 Cb -0.49 -3.71 0.41 0.00 -0.22 0.00 0.00 33.01 29.00 1s9x s GLN 224 CO 0.40 -1.17 1.30 0.25 -0.25 0.00 0.00 175.29 175.82 1s9x n THR 225 N 3.40 2.63 -2.11 -0.19 -2.24 -1.26 -4.51 114.28 110.01 1s9x n THR 225 Ca 0.08 -4.73 -0.05 0.00 -2.27 0.00 0.00 64.05 57.08 1s9x n THR 225 Cb 0.37 -1.25 -0.01 0.00 -2.10 0.00 0.00 70.33 67.34 1s9x n THR 225 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s9x n GLN 226 N -0.52 0.30 -0.36 -0.78 6.02 -1.26 -4.90 117.38 115.89 1s9x n GLN 226 Ca 0.43 -0.87 0.00 0.00 -0.01 0.00 0.00 57.00 56.54 1s9x n GLN 226 Cb 0.60 0.46 0.00 0.00 1.02 0.00 0.00 30.24 32.32 1s9x n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1s9x n ASP 227 N -0.34 0.00 -4.69 1.08 9.92 -1.26 -5.15 116.55 116.11 1s9x n ASP 227 Ca -0.21 -0.98 -0.26 0.00 -0.53 0.00 0.00 54.79 52.81 1s9x n ASP 227 Cb 0.67 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 41.07 1s9x n ASP 227 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1s9x s THR 228 N 0.00 2.23 -0.13 -3.53 -4.23 -1.26 -3.56 115.64 105.15 1s9x s THR 228 Ca 0.00 -1.83 -0.00 0.00 -1.18 0.00 0.00 61.69 58.68 1s9x s THR 228 Cb 0.00 -2.98 0.02 0.00 1.34 0.00 0.00 72.50 70.88 1s9x s THR 228 CO 0.00 -0.02 -0.10 -0.70 -0.54 0.00 0.00 174.62 173.26 1s9x s GLU 229 N -3.82 1.88 -0.11 3.99 2.12 0.16 -5.00 118.70 117.92 1s9x s GLU 229 Ca 0.38 -0.41 0.03 0.00 0.36 0.00 0.00 54.97 55.34 1s9x s GLU 229 Cb 0.06 -1.85 -0.00 0.00 0.26 0.00 0.00 34.13 32.59 1s9x s GLU 229 CO 0.21 -0.26 -0.22 -1.17 -0.54 0.00 0.00 175.26 173.27 1s9x s LEU 230 N 1.60 2.21 0.14 2.70 0.20 -1.26 -1.60 118.68 122.66 1s9x s LEU 230 Ca 0.05 -0.52 -0.08 0.00 0.69 0.00 0.00 54.13 54.27 1s9x s LEU 230 Cb -0.13 -1.45 -0.06 0.00 -0.43 0.00 0.00 46.19 44.12 1s9x s LEU 230 CO -0.09 0.16 0.43 0.68 -0.29 0.00 0.00 176.35 177.23 1s9x s VAL 231 N 0.35 5.08 0.29 1.68 -7.23 -1.13 -5.05 120.40 114.39 1s9x s VAL 231 Ca -0.17 0.30 -0.29 0.00 -1.81 0.00 0.00 61.98 60.00 1s9x s VAL 231 Cb -0.18 -3.63 -0.10 0.00 0.56 0.00 0.00 36.38 33.03 1s9x s VAL 231 CO 0.08 0.10 1.41 -0.70 -0.31 0.00 0.00 175.10 175.69 1s9x s GLU 232 N -2.42 4.26 0.25 4.82 2.12 -1.26 -4.64 118.70 121.83 1s9x s GLU 232 Ca 0.40 2.33 -0.31 0.00 0.36 0.00 0.00 54.97 57.74 1s9x s GLU 232 Cb -0.13 -3.07 -0.13 0.00 0.26 0.00 0.00 34.13 31.06 1s9x s GLU 232 CO 0.21 -0.38 1.43 2.41 -0.54 0.00 0.00 175.26 178.40 1s9x n THR 233 N 1.61 0.96 -4.29 -1.70 -1.04 -1.26 -4.89 114.28 103.66 1s9x n THR 233 Ca 0.04 -0.24 -0.21 0.00 -2.04 0.00 0.00 64.05 61.60 1s9x n THR 233 Cb 0.40 -1.54 -0.13 0.00 -1.82 0.00 0.00 70.33 67.25 1s9x n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s9x s ARG 234 N -0.42 0.99 0.04 -2.82 1.70 -0.38 -4.97 118.95 113.09 1s9x s ARG 234 Ca 0.68 -0.97 -0.30 0.00 -0.47 0.00 0.00 55.73 54.66 1s9x s ARG 234 Cb -0.63 -1.08 -0.05 0.00 -0.57 0.00 0.00 34.95 32.62 1s9x s ARG 234 CO 0.49 0.25 1.22 -1.25 -1.08 0.00 0.00 175.30 174.93 1s9x s PRO 235 N -1.60 4.41 0.39 3.89 0.04 -1.26 -0.41 135.00 140.45 1s9x s PRO 235 Ca 0.02 1.77 0.23 0.00 0.04 0.00 0.00 61.00 63.07 1s9x s PRO 235 Cb -0.09 -3.40 0.40 0.00 0.04 0.00 0.00 34.50 31.45 1s9x s PRO 235 CO 0.03 -0.32 1.61 0.00 0.04 0.00 0.00 177.00 178.36 1s9x h ALA 236 N 6.99 0.97 0.00 8.56 0.00 -1.51 -3.47 119.26 130.80 1s9x h ALA 236 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1s9x h ALA 236 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1s9x h ALA 236 CO 0.83 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.49 1s9x n GLY 237 N 1.14 0.96 0.31 0.00 0.00 -1.26 -4.86 105.19 101.48 1s9x n GLY 237 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.12 1s9x n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s9x n ASP 238 N 0.00 2.66 0.00 1.61 5.75 -1.26 -4.96 116.55 120.35 1s9x n ASP 238 Ca 0.00 -2.59 0.00 0.00 -0.01 0.00 0.00 54.79 52.19 1s9x n ASP 238 Cb 0.00 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 1s9x n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s9x n GLY 239 N -0.67 2.39 3.99 6.12 0.00 -1.26 -5.07 105.19 110.69 1s9x n GLY 239 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1s9x n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s9x s THR 240 N -2.48 2.33 0.38 2.61 -4.23 -1.26 -4.89 115.64 108.09 1s9x s THR 240 Ca 0.00 -0.68 0.04 0.00 -1.18 0.00 0.00 61.69 59.88 1s9x s THR 240 Cb 0.00 -2.65 -0.06 0.00 1.34 0.00 0.00 72.50 71.13 1s9x s THR 240 CO 0.00 0.00 0.05 -0.36 -0.54 0.00 0.00 174.62 173.77 1s9x s PHE 241 N -2.94 2.09 0.04 3.99 0.08 -0.05 -1.29 117.98 119.89 1s9x s PHE 241 Ca 0.63 -0.91 -0.02 0.00 0.12 0.00 0.00 56.93 56.74 1s9x s PHE 241 Cb -0.07 -1.44 -0.02 0.00 -0.57 0.00 0.00 43.02 40.91 1s9x s PHE 241 CO 0.41 0.12 0.02 -0.65 -0.10 0.00 0.00 175.22 175.02 1s9x s GLN 242 N -3.82 0.51 -0.18 0.44 -0.21 0.45 -2.32 119.66 114.53 1s9x s GLN 242 Ca 0.32 -0.87 -0.30 0.00 0.02 0.00 0.00 55.36 54.53 1s9x s GLN 242 Cb 0.08 0.19 0.13 0.00 1.00 0.00 0.00 33.01 34.41 1s9x s GLN 242 CO 0.15 -0.11 1.03 0.21 -2.12 0.00 0.00 175.29 174.45 1s9x s LYS 243 N -2.73 0.55 0.00 2.91 2.20 -0.48 -1.25 119.74 120.94 1s9x s LYS 243 Ca -0.04 0.17 -0.11 0.00 -0.36 0.00 0.00 55.97 55.63 1s9x s LYS 243 Cb -0.01 0.26 0.01 0.00 -1.51 0.00 0.00 37.83 36.58 1s9x s LYS 243 CO -0.05 -0.16 0.23 1.67 -0.36 0.00 0.00 175.35 176.67 1s9x s TRP 244 N -0.98 -0.07 -0.02 4.03 1.48 -1.26 -1.03 118.94 121.10 1s9x s TRP 244 Ca -0.01 0.04 0.02 0.00 -1.06 0.00 0.00 56.10 55.10 1s9x s TRP 244 Cb -0.01 0.03 0.00 0.00 -1.16 0.00 0.00 33.47 32.33 1s9x s TRP 244 CO 0.00 -0.36 -0.08 0.00 -4.06 0.00 0.00 176.95 172.45 1s9x s ALA 245 N -1.52 0.79 0.09 2.67 0.00 -0.28 -2.83 121.76 120.70 1s9x s ALA 245 Ca -0.13 -0.31 0.04 0.00 0.00 0.00 0.00 51.96 51.56 1s9x s ALA 245 Cb -0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1s9x s ALA 245 CO 0.02 0.13 -0.11 0.00 0.00 0.00 0.00 175.76 175.81 1s9x s ALA 246 N 0.15 1.12 0.08 0.00 0.00 -0.63 0.22 121.76 122.70 1s9x s ALA 246 Ca -0.02 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.81 1s9x s ALA 246 Cb -0.08 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 1s9x s ALA 246 CO 0.00 -0.00 -0.08 0.54 0.00 0.00 0.00 175.76 176.22 1s9x s VAL 247 N -2.24 0.70 -0.35 0.00 0.11 -0.10 -0.66 120.40 117.85 1s9x s VAL 247 Ca 0.04 -1.58 -0.08 0.00 -2.93 0.00 0.00 61.98 57.43 1s9x s VAL 247 Cb -0.04 -1.25 0.04 0.00 -1.53 0.00 0.00 36.38 33.60 1s9x s VAL 247 CO 0.01 -0.64 0.14 -0.69 -3.33 0.00 0.00 175.10 170.59 1s9x s VAL 248 N -2.60 4.04 0.09 2.04 1.01 -1.23 -1.86 120.40 121.89 1s9x s VAL 248 Ca 0.03 -1.06 0.08 0.00 0.00 0.00 0.00 61.98 61.03 1s9x s VAL 248 Cb -0.02 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1s9x s VAL 248 CO -0.02 -0.21 -0.16 0.68 0.00 0.00 0.00 175.10 175.39 1s9x s VAL 249 N 1.45 2.95 0.16 2.92 -7.23 -0.45 -4.95 120.40 115.25 1s9x s VAL 249 Ca -0.00 -1.35 -0.31 0.00 -1.81 0.00 0.00 61.98 58.50 1s9x s VAL 249 Cb -0.20 -2.33 -0.11 0.00 0.56 0.00 0.00 36.38 34.31 1s9x s VAL 249 CO 0.04 0.17 1.76 -2.84 -0.31 0.00 0.00 175.10 173.92 1s9x s PRO 250 N -1.95 4.14 0.10 4.82 0.02 -1.26 -1.00 135.00 139.86 1s9x s PRO 250 Ca 0.18 2.57 -0.31 0.00 0.02 0.00 0.00 61.00 63.46 1s9x s PRO 250 Cb -0.11 -3.33 -0.10 0.00 0.02 0.00 0.00 34.50 30.98 1s9x s PRO 250 CO 0.09 -0.78 1.89 -1.54 -0.33 0.00 0.00 177.00 176.34 1s9x s SER 251 N 1.91 6.42 0.00 2.53 1.04 0.11 -0.76 113.70 124.94 1s9x s SER 251 Ca 0.77 2.75 0.00 0.00 0.48 0.00 0.00 55.95 59.95 1s9x s SER 251 Cb -0.47 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.09 1s9x s SER 251 CO 0.34 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1s9x n GLY 252 N 4.37 2.37 1.04 7.32 0.00 -1.26 -4.91 105.19 114.12 1s9x n GLY 252 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 1s9x n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s9x n GLN 253 N -0.53 2.72 -0.18 1.61 6.02 0.06 -4.64 117.38 122.44 1s9x n GLN 253 Ca 0.00 -2.36 -0.01 0.00 -0.01 0.00 0.00 57.00 54.62 1s9x n GLN 253 Cb 0.00 -1.44 0.09 0.00 1.02 0.00 0.00 30.24 29.91 1s9x n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1s9x h GLU 254 N 3.36 0.34 0.00 -1.09 3.07 -1.91 -1.52 114.58 116.82 1s9x h GLU 254 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1s9x h GLU 254 Cb 0.88 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1s9x h GLU 254 CO 0.00 0.22 0.41 -0.56 -1.40 0.00 0.00 179.01 177.68 1s9x h GLN 255 N 0.35 0.00 0.00 2.33 -0.00 -1.96 0.27 115.11 116.10 1s9x h GLN 255 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.93 1s9x h GLN 255 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.83 1s9x h GLN 255 CO -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 178.83 178.53 1s9x h ARG 256 N 0.00 0.00 -5.70 0.06 3.08 -1.63 -3.46 114.38 106.73 1s9x h ARG 256 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.39 1s9x h ARG 256 Cb 0.81 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.80 1s9x h ARG 256 CO 0.00 0.00 -0.49 0.71 -1.07 0.00 0.00 179.97 179.12 1s9x s TYR 257 N -3.18 3.58 0.02 3.04 1.51 0.95 -0.35 117.35 122.92 1s9x s TYR 257 Ca 0.08 0.46 0.01 0.00 -1.01 0.00 0.00 57.07 56.61 1s9x s TYR 257 Cb 0.07 -1.90 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 1s9x s TYR 257 CO 0.65 0.70 -0.04 0.95 -1.11 0.00 0.00 175.55 176.70 1s9x s THR 258 N -1.14 0.23 -0.16 -0.71 -4.23 -0.45 -4.41 115.64 104.76 1s9x s THR 258 Ca 0.19 -0.61 -0.05 0.00 -1.18 0.00 0.00 61.69 60.05 1s9x s THR 258 Cb -0.12 -0.29 -0.03 0.00 1.34 0.00 0.00 72.50 73.40 1s9x s THR 258 CO 0.09 -0.25 -0.01 0.00 -0.54 0.00 0.00 174.62 173.91 1s9x s HIS 260 N 0.40 3.10 -0.25 0.00 3.76 -0.48 -1.06 115.29 120.77 1s9x s HIS 260 Ca -0.02 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.75 1s9x s HIS 260 Cb -0.14 -1.97 0.04 0.00 1.11 0.00 0.00 32.58 31.62 1s9x s HIS 260 CO 0.02 0.08 -0.09 0.08 -0.85 0.00 0.00 174.74 173.99 1s9x s VAL 261 N 0.20 2.56 -0.21 -0.90 1.01 -0.41 -2.45 120.40 120.19 1s9x s VAL 261 Ca -0.00 -1.23 -0.07 0.00 0.00 0.00 0.00 61.98 60.68 1s9x s VAL 261 Cb -0.13 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1s9x s VAL 261 CO 0.02 0.15 0.05 -1.10 0.00 0.00 0.00 175.10 174.22 1s9x s GLN 262 N 1.25 3.77 -0.28 2.72 -0.21 -0.62 -1.93 119.66 124.36 1s9x s GLN 262 Ca -0.02 -0.44 -0.14 0.00 0.02 0.00 0.00 55.36 54.78 1s9x s GLN 262 Cb -0.17 -3.22 0.09 0.00 1.00 0.00 0.00 33.01 30.70 1s9x s GLN 262 CO -0.06 0.05 0.67 -1.58 -2.12 0.00 0.00 175.29 172.25 1s9x s HIS 263 N 0.96 -1.10 -0.05 0.91 2.46 -1.26 -1.87 115.29 115.34 1s9x s HIS 263 Ca 0.03 2.13 0.17 0.00 0.47 0.00 0.00 55.06 57.86 1s9x s HIS 263 Cb -0.14 0.65 0.91 0.00 -0.13 0.00 0.00 32.58 33.87 1s9x s HIS 263 CO 0.03 -0.55 1.45 -0.85 -2.47 0.00 0.00 174.74 172.35 1s9x n GLU 264 N 4.55 0.11 0.00 2.88 0.28 -1.26 0.76 120.64 127.96 1s9x n GLU 264 Ca -0.18 0.60 0.14 0.00 -0.16 0.00 0.00 57.16 57.56 1s9x n GLU 264 Cb 0.57 -2.05 0.78 0.00 1.43 0.00 0.00 31.44 32.17 1s9x n GLU 264 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1s9x n GLY 265 N -1.28 -1.13 3.45 -1.84 0.00 -1.26 -4.71 105.19 98.41 1s9x n GLY 265 Ca -0.01 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1s9x n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s9x s LEU 266 N -2.37 3.21 0.20 0.99 1.43 0.23 -4.45 118.68 117.92 1s9x s LEU 266 Ca 0.34 -0.20 -0.16 0.00 -1.03 0.00 0.00 54.13 53.07 1s9x s LEU 266 Cb 0.20 -1.80 0.19 0.00 0.03 0.00 0.00 46.19 44.81 1s9x s LEU 266 CO 0.41 0.09 1.62 -0.65 0.23 0.00 0.00 176.35 178.04 1s9x h PRO 267 N 7.32 -0.06 -3.89 1.29 0.11 -1.84 -3.42 132.00 131.52 1s9x h PRO 267 Ca -0.35 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.62 1s9x h PRO 267 Cb 1.18 0.01 -0.19 0.00 0.11 0.00 0.00 31.00 32.11 1s9x h PRO 267 CO 0.61 -0.04 -0.61 -1.59 -0.21 0.00 0.00 178.00 176.17 1s9x s LYS 268 N -6.17 0.47 1.07 1.05 0.00 -1.26 -5.14 119.74 109.77 1s9x s LYS 268 Ca -0.14 -0.71 -0.17 0.00 0.00 0.00 0.00 55.97 54.94 1s9x s LYS 268 Cb 0.18 0.18 0.08 0.00 0.00 0.00 0.00 37.83 38.27 1s9x s LYS 268 CO 0.72 -0.10 0.09 -2.30 0.00 0.00 0.00 175.35 173.76 1s9x n PRO 269 N 1.09 -1.23 -4.38 1.78 -0.02 -1.26 -5.00 135.00 125.98 1s9x n PRO 269 Ca -0.21 -0.34 -0.31 0.00 -2.02 0.00 0.00 63.50 60.62 1s9x n PRO 269 Cb 0.57 -1.73 -0.10 0.00 -0.02 0.00 0.00 33.50 32.22 1s9x n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1s9x s LEU 270 N -1.08 3.15 -0.09 2.45 1.43 -0.81 -4.93 118.68 118.80 1s9x s LEU 270 Ca 0.56 -0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.49 1s9x s LEU 270 Cb -0.14 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.23 1s9x s LEU 270 CO 0.67 0.25 -0.24 -0.89 0.23 0.00 0.00 176.35 176.36 1s9x s THR 271 N -1.08 2.09 -0.05 5.49 2.01 -1.26 -1.29 115.64 121.56 1s9x s THR 271 Ca 0.19 -1.02 0.03 0.00 0.31 0.00 0.00 61.69 61.21 1s9x s THR 271 Cb -0.11 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 70.61 1s9x s THR 271 CO 0.10 0.56 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.69 1s9x s LEU 272 N 0.25 1.82 -0.03 4.42 1.43 -0.22 -4.93 118.68 121.42 1s9x s LEU 272 Ca -0.16 -0.31 0.06 0.00 -1.03 0.00 0.00 54.13 52.68 1s9x s LEU 272 Cb -0.17 -0.87 -0.01 0.00 0.03 0.00 0.00 46.19 45.17 1s9x s LEU 272 CO 0.08 0.10 -0.20 -0.13 0.23 0.00 0.00 176.35 176.43 1s9x s ARG 273 N 0.26 1.81 0.00 1.70 0.52 -1.26 -1.21 118.95 120.77 1s9x s ARG 273 Ca -0.07 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.43 1s9x s ARG 273 Cb -0.12 -1.65 0.00 0.00 0.52 0.00 0.00 34.95 33.70 1s9x s ARG 273 CO 0.03 0.36 0.21 1.87 0.02 0.00 0.00 175.30 177.79