#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jao n ARG 5 N 0.00 0.00 -1.41 1.97 1.74 -1.26 -4.96 116.66 112.74 2jao n ARG 5 Ca 0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 2jao n ARG 5 Cb 0.00 -0.84 0.09 0.00 -1.02 0.00 0.00 32.46 30.69 2jao n ARG 5 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2jao s PRO 6 N -0.56 2.18 -0.12 5.56 0.02 -1.26 -5.01 135.00 135.81 2jao s PRO 6 Ca 0.53 1.58 -0.19 0.00 0.02 0.00 0.00 61.00 62.94 2jao s PRO 6 Cb -0.76 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 31.87 2jao s PRO 6 CO 0.42 -1.76 0.51 0.08 -0.33 0.00 0.00 177.00 175.91 2jao s VAL 7 N -2.25 5.17 -0.18 3.83 1.01 -0.75 -4.94 120.40 122.29 2jao s VAL 7 Ca 0.70 1.02 -0.07 0.00 0.00 0.00 0.00 61.98 63.63 2jao s VAL 7 Cb -0.25 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2jao s VAL 7 CO 0.47 0.31 0.04 -0.60 0.00 0.00 0.00 175.10 175.32 2jao s ARG 8 N 0.70 3.89 -0.20 2.72 3.52 -1.26 -1.46 118.95 126.85 2jao s ARG 8 Ca 0.27 -0.39 -0.01 0.00 -0.13 0.00 0.00 55.73 55.48 2jao s ARG 8 Cb -0.15 -3.16 0.01 0.00 -1.56 0.00 0.00 34.95 30.09 2jao s ARG 8 CO 0.11 0.24 -0.14 0.08 -0.81 0.00 0.00 175.30 174.78 2jao s VAL 9 N 0.45 2.57 -0.22 7.11 1.01 0.75 -0.94 120.40 131.13 2jao s VAL 9 Ca 0.02 -0.80 -0.16 0.00 0.00 0.00 0.00 61.98 61.04 2jao s VAL 9 Cb -0.13 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2jao s VAL 9 CO 0.01 0.47 0.39 -0.76 0.00 0.00 0.00 175.10 175.21 2jao s LEU 10 N 1.35 4.13 -0.19 3.92 1.43 0.35 -1.95 118.68 127.72 2jao s LEU 10 Ca 0.05 0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 53.60 2jao s LEU 10 Cb -0.14 -2.49 0.01 0.00 0.03 0.00 0.00 46.19 43.60 2jao s LEU 10 CO -0.09 -0.10 -0.14 -0.69 0.23 0.00 0.00 176.35 175.56 2jao s VAL 11 N 1.48 2.62 0.79 -1.59 1.01 -0.13 -1.11 120.40 123.47 2jao s VAL 11 Ca 0.18 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 2jao s VAL 11 Cb -0.15 -2.14 0.07 0.00 0.00 0.00 0.00 36.38 34.16 2jao s VAL 11 CO 0.08 0.49 1.10 0.21 0.00 0.00 0.00 175.10 176.98 2jao s ASN 12 N 1.29 4.35 0.00 3.32 3.04 -0.45 -0.89 114.94 125.61 2jao s ASN 12 Ca 0.04 1.84 0.00 0.00 0.04 0.00 0.00 52.86 54.78 2jao s ASN 12 Cb -0.14 -2.51 0.00 0.00 -1.54 0.00 0.00 41.25 37.06 2jao s ASN 12 CO -0.08 -2.13 0.00 0.80 -3.04 0.00 0.00 177.10 172.65 2jao n MET 13 N -3.59 0.00 -2.02 0.43 0.00 -1.25 -3.70 117.12 106.99 2jao n MET 13 Ca 0.09 0.07 -0.42 0.00 -0.00 0.00 0.00 57.70 57.45 2jao n MET 13 Cb 0.53 -0.44 -0.03 0.00 0.00 0.00 0.00 33.22 33.28 2jao n MET 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2jao s ASP 14 N -2.83 6.67 0.00 6.12 1.01 -1.26 -0.35 116.67 126.02 2jao s ASP 14 Ca 0.00 2.55 0.00 0.00 0.71 0.00 0.00 52.55 55.81 2jao s ASP 14 Cb 0.00 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2jao s ASP 14 CO 0.00 -0.75 0.00 0.61 0.21 0.00 0.00 175.17 175.24 2jao n GLY 15 N 3.28 1.82 1.49 0.21 0.00 -0.06 -4.73 105.19 107.19 2jao n GLY 15 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2jao n GLY 15 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jao n VAL 16 N -2.00 0.04 -0.09 1.61 0.31 -0.86 -4.77 118.33 112.56 2jao n VAL 16 Ca 0.00 0.01 -0.12 0.00 -0.01 0.00 0.00 64.34 64.22 2jao n VAL 16 Cb 0.00 -1.02 -0.10 0.00 -0.91 0.00 0.00 33.84 31.81 2jao n VAL 16 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2jao n LEU 17 N -2.80 2.25 -4.46 7.52 4.77 0.53 -4.67 117.00 120.13 2jao n LEU 17 Ca 0.00 -0.08 -0.33 0.00 -0.03 0.00 0.00 56.01 55.57 2jao n LEU 17 Cb 0.24 -0.43 -0.13 0.00 -2.33 0.00 0.00 43.42 40.77 2jao n LEU 17 CO 0.00 0.72 -0.43 0.00 -1.33 0.00 0.00 177.39 176.36 2jao s ALA 18 N -2.39 2.74 -1.23 -1.18 0.00 -0.47 -0.83 121.76 118.40 2jao s ALA 18 Ca -0.22 -0.92 -0.14 0.00 0.00 0.00 0.00 51.96 50.68 2jao s ALA 18 Cb 0.06 -1.16 0.16 0.00 0.00 0.00 0.00 23.12 22.18 2jao s ALA 18 CO 0.50 0.42 1.50 -3.47 0.00 0.00 0.00 175.76 174.71 2jao n ASP 19 N 2.82 5.17 -0.07 0.00 -0.08 0.27 -0.88 116.55 123.78 2jao n ASP 19 Ca -0.18 -2.97 -0.11 0.00 -1.51 0.00 0.00 54.79 50.02 2jao n ASP 19 Cb 0.53 -1.59 -0.04 0.00 2.34 0.00 0.00 41.12 42.35 2jao n ASP 19 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2jao h PHE 20 N 7.14 0.37 -0.34 -0.67 3.04 -1.93 -2.70 116.94 121.86 2jao h PHE 20 Ca 0.34 -0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.25 2jao h PHE 20 Cb 0.86 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 39.25 2jao h PHE 20 CO 1.15 0.43 0.19 0.93 -2.02 0.00 0.00 178.31 179.00 2jao h GLU 21 N 0.20 0.46 -0.53 1.11 4.39 -1.99 0.95 114.58 119.17 2jao h GLU 21 Ca 0.07 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 2jao h GLU 21 Cb 0.23 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 2jao h GLU 21 CO -0.00 0.37 0.17 0.77 -1.16 0.00 0.00 179.01 179.16 2jao h SER 22 N 0.43 0.77 -0.43 1.42 0.02 -1.98 -2.30 113.55 111.48 2jao h SER 22 Ca 0.12 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 60.81 2jao h SER 22 Cb 0.04 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 2jao h SER 22 CO -0.02 0.77 0.07 1.23 -1.14 0.00 0.00 176.83 177.74 2jao h GLY 23 N 0.73 0.84 0.83 -3.77 0.00 -1.25 -1.85 103.07 98.61 2jao h GLY 23 Ca 0.17 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 2jao h GLY 23 CO -0.01 0.48 -0.02 -2.00 0.00 0.00 0.00 176.54 174.99 2jao h LEU 24 N 0.75 0.41 -0.35 3.11 5.85 -0.68 -2.32 115.31 122.07 2jao h LEU 24 Ca 0.16 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2jao h LEU 24 Cb 0.36 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2jao h LEU 24 CO 0.01 0.65 0.20 0.25 -0.34 0.00 0.00 178.44 179.21 2jao h LEU 25 N 0.17 0.44 -1.07 2.25 5.85 -1.37 0.25 115.31 121.82 2jao h LEU 25 Ca 0.06 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 2jao h LEU 25 Cb 0.45 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2jao h LEU 25 CO 0.02 0.39 0.20 1.56 -0.34 0.00 0.00 178.44 180.27 2jao h GLN 26 N 0.45 0.87 -0.29 1.25 4.20 -1.37 -1.23 115.11 118.99 2jao h GLN 26 Ca 0.13 -0.15 -0.17 0.00 0.06 0.00 0.00 58.65 58.52 2jao h GLN 26 Cb 0.04 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 2jao h GLN 26 CO -0.02 0.73 -0.49 0.78 -0.67 0.00 0.00 178.83 179.16 2jao h GLY 27 N 0.98 0.87 0.82 3.46 0.00 -1.08 -2.46 103.07 105.65 2jao h GLY 27 Ca 0.20 -0.96 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 2jao h GLY 27 CO -0.01 0.86 0.00 -2.75 0.00 0.00 0.00 176.54 174.64 2jao h PHE 28 N 0.62 0.37 -0.10 5.60 3.04 -0.50 -1.88 116.94 124.09 2jao h PHE 28 Ca 0.03 -0.06 -0.07 0.00 3.98 0.00 0.00 57.97 61.84 2jao h PHE 28 Cb 1.07 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.47 2jao h PHE 28 CO 0.06 0.53 -0.26 0.00 -2.02 0.00 0.00 178.31 176.62 2jao h ARG 29 N 0.11 0.19 -0.06 1.11 3.08 -1.26 0.24 114.38 117.78 2jao h ARG 29 Ca 0.06 -0.06 -0.23 0.00 0.07 0.00 0.00 59.98 59.81 2jao h ARG 29 Cb 0.38 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.42 2jao h ARG 29 CO 0.01 0.44 -0.90 -0.09 -1.07 0.00 0.00 179.97 178.36 2jao h ARG 30 N 0.17 0.63 0.07 0.04 2.43 -1.40 -3.12 114.38 113.20 2jao h ARG 30 Ca 0.03 -0.60 -0.31 0.00 -0.81 0.00 0.00 59.98 58.28 2jao h ARG 30 Cb 0.56 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 2jao h ARG 30 CO 0.04 1.21 -1.72 -0.09 -1.51 0.00 0.00 179.97 177.90 2jao h ARG 31 N 0.39 0.15 -2.24 0.20 2.43 -1.18 -3.39 114.38 110.74 2jao h ARG 31 Ca -0.08 -0.26 -0.58 0.00 -0.81 0.00 0.00 59.98 58.25 2jao h ARG 31 Cb 1.53 0.10 -0.42 0.00 -0.42 0.00 0.00 29.97 30.76 2jao h ARG 31 CO 0.17 0.91 -0.69 1.19 -1.51 0.00 0.00 179.97 180.04 2jao n PHE 32 N -3.30 3.57 0.31 2.20 3.72 0.82 -4.93 117.46 119.85 2jao n PHE 32 Ca -0.21 -4.00 0.20 0.00 -0.05 0.00 0.00 57.45 53.39 2jao n PHE 32 Cb 1.04 -0.49 0.95 0.00 -0.94 0.00 0.00 39.48 40.04 2jao n PHE 32 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2jao h PRO 33 N 3.21 0.00 0.00 -1.08 0.13 -1.73 -1.46 132.00 131.08 2jao h PRO 33 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2jao h PRO 33 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 2jao h PRO 33 CO 0.79 0.00 -0.45 -0.85 -0.23 0.00 0.00 178.00 177.25 2jao n GLU 34 N -2.98 0.11 -3.46 0.86 0.00 -1.26 -4.95 120.64 108.95 2jao n GLU 34 Ca -0.01 0.04 -0.29 0.00 0.00 0.00 0.00 57.16 56.89 2jao n GLU 34 Cb 0.16 -1.57 -0.04 0.00 0.00 0.00 0.00 31.44 29.99 2jao n GLU 34 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2jao s GLU 35 N -3.06 3.63 0.49 3.44 0.41 -0.55 -5.07 118.70 117.99 2jao s GLU 35 Ca 0.10 -0.04 -0.24 0.00 -0.41 0.00 0.00 54.97 54.38 2jao s GLU 35 Cb 0.16 -2.71 -0.07 0.00 -1.78 0.00 0.00 34.13 29.73 2jao s GLU 35 CO 0.68 0.30 1.34 -0.35 -0.49 0.00 0.00 175.26 176.73 2jao n PRO 36 N -0.64 1.88 -4.39 0.39 -0.04 -1.26 -5.05 135.00 125.90 2jao n PRO 36 Ca -0.02 0.68 -0.19 0.00 -0.04 0.00 0.00 63.50 63.93 2jao n PRO 36 Cb 0.53 -2.52 -0.10 0.00 -0.04 0.00 0.00 33.50 31.37 2jao n PRO 36 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2jao s HIS 37 N -1.25 1.77 -0.35 0.54 -3.43 -1.26 -5.10 115.29 106.21 2jao s HIS 37 Ca 0.66 -1.02 -0.05 0.00 -0.80 0.00 0.00 55.06 53.85 2jao s HIS 37 Cb -0.45 -1.10 0.06 0.00 -1.43 0.00 0.00 32.58 29.66 2jao s HIS 37 CO 0.54 -0.10 0.11 0.08 -2.00 0.00 0.00 174.74 173.36 2jao s VAL 38 N -3.45 3.56 0.49 -5.38 1.01 -1.26 -5.09 120.40 110.27 2jao s VAL 38 Ca 0.35 -1.34 -0.24 0.00 0.00 0.00 0.00 61.98 60.75 2jao s VAL 38 Cb 0.08 -3.09 -0.07 0.00 0.00 0.00 0.00 36.38 33.29 2jao s VAL 38 CO 0.14 -0.26 1.38 -2.65 0.00 0.00 0.00 175.10 173.71 2jao n PRO 39 N 4.75 1.99 -0.33 2.72 -0.02 -1.26 -4.82 135.00 138.02 2jao n PRO 39 Ca -0.11 0.72 0.15 0.00 -2.02 0.00 0.00 63.50 62.24 2jao n PRO 39 Cb 0.44 -2.58 0.35 0.00 -0.02 0.00 0.00 33.50 31.69 2jao n PRO 39 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2jao h LEU 40 N 1.92 0.61 -2.36 2.45 3.38 -1.98 0.20 115.31 119.53 2jao h LEU 40 Ca -0.50 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2jao h LEU 40 Cb 1.29 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 2jao h LEU 40 CO 0.59 0.11 -0.03 -0.33 0.09 0.00 0.00 178.44 178.87 2jao h GLU 41 N 0.57 0.00 -0.02 1.13 4.39 -1.93 -2.14 114.58 116.58 2jao h GLU 41 Ca 0.61 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.31 2jao h GLU 41 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2jao h GLU 41 CO -0.47 0.03 -0.15 1.04 -1.16 0.00 0.00 179.01 178.30 2jao n GLN 42 N -3.77 1.80 -1.70 2.33 6.02 0.70 -4.95 117.38 117.79 2jao n GLN 42 Ca -0.03 -1.40 -0.43 0.00 -0.01 0.00 0.00 57.00 55.13 2jao n GLN 42 Cb 0.12 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 2jao n GLN 42 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2jao n ARG 43 N 0.62 2.59 -3.91 -1.09 5.12 -0.80 -4.95 116.66 114.23 2jao n ARG 43 Ca 0.13 0.93 -0.16 0.00 -1.93 0.00 0.00 57.85 56.83 2jao n ARG 43 Cb 0.50 -2.75 -0.16 0.00 -1.16 0.00 0.00 32.46 28.89 2jao n ARG 43 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2jao s ARG 44 N 1.04 0.21 0.00 5.56 1.81 -1.26 -4.20 118.95 122.11 2jao s ARG 44 Ca 0.76 0.06 0.00 0.00 -1.72 0.00 0.00 55.73 54.83 2jao s ARG 44 Cb -0.56 -0.36 0.00 0.00 -0.45 0.00 0.00 34.95 33.58 2jao s ARG 44 CO 0.34 -0.10 0.00 0.41 -0.68 0.00 0.00 175.30 175.28 2jao n GLY 45 N 3.87 -1.75 0.16 -3.53 0.00 -1.07 -4.83 105.19 98.04 2jao n GLY 45 Ca -0.24 -1.40 -0.10 0.00 0.00 0.00 0.00 46.02 44.29 2jao n GLY 45 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2jao h PHE 46 N 0.00 0.49 -3.53 1.61 3.57 -1.98 -3.42 116.94 113.70 2jao h PHE 46 Ca 0.00 -0.05 -0.62 0.00 3.53 0.00 0.00 57.97 60.84 2jao h PHE 46 Cb 0.00 -0.14 -0.12 0.00 2.79 0.00 0.00 35.95 38.48 2jao h PHE 46 CO 0.00 0.49 0.32 -0.51 -2.23 0.00 0.00 178.31 176.38 2jao s LEU 47 N -9.75 4.15 0.37 0.59 1.43 -1.26 -4.95 118.68 109.26 2jao s LEU 47 Ca -0.13 0.34 0.07 0.00 -1.03 0.00 0.00 54.13 53.38 2jao s LEU 47 Cb 0.09 -2.97 0.72 0.00 0.03 0.00 0.00 46.19 44.06 2jao s LEU 47 CO 0.74 -0.68 1.92 0.00 0.23 0.00 0.00 176.35 178.56 2jao h ALA 48 N 8.43 1.48 -0.21 4.21 0.00 -1.93 -3.10 119.26 128.15 2jao h ALA 48 Ca -0.25 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 2jao h ALA 48 Cb 1.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2jao h ALA 48 CO 0.89 0.37 -0.41 -2.95 0.00 0.00 0.00 179.25 177.15 2jao h ASN 49 N 0.39 0.53 -0.77 0.00 -1.07 -1.92 -1.55 115.58 111.18 2jao h ASN 49 Ca 0.09 -0.24 0.01 0.00 0.07 0.00 0.00 56.30 56.23 2jao h ASN 49 Cb 0.29 -0.15 -0.04 0.00 -2.07 0.00 0.00 38.32 36.35 2jao h ASN 49 CO 0.01 0.88 0.51 -0.33 0.07 0.00 0.00 177.43 178.57 2jao h GLU 50 N 0.41 1.02 -0.51 4.14 5.08 -1.92 0.68 114.58 123.49 2jao h GLU 50 Ca 0.04 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 2jao h GLU 50 Cb 0.89 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2jao h GLU 50 CO 0.08 0.68 -0.03 0.37 -1.00 0.00 0.00 179.01 179.11 2jao h GLN 51 N 1.04 0.92 -0.11 2.33 4.15 -1.39 -1.57 115.11 120.48 2jao h GLN 51 Ca 0.28 -0.31 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 2jao h GLN 51 Cb -0.11 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 2jao h GLN 51 CO -0.06 0.96 -0.30 1.88 -1.93 0.00 0.00 178.83 179.37 2jao h TYR 52 N 0.78 0.22 -0.11 3.99 0.05 -1.03 -2.29 116.97 118.59 2jao h TYR 52 Ca 0.14 -0.05 -0.15 0.00 0.05 0.00 0.00 58.73 58.73 2jao h TYR 52 Cb 0.56 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 2jao h TYR 52 CO 0.04 0.49 -0.56 0.78 -1.05 0.00 0.00 178.16 177.86 2jao h GLY 53 N 1.04 0.37 2.00 3.88 0.00 -0.64 -1.77 103.07 107.94 2jao h GLY 53 Ca 0.02 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 2jao h GLY 53 CO 0.05 0.39 -0.43 0.00 0.00 0.00 0.00 176.54 176.54 2jao h ALA 54 N 1.15 1.06 0.50 3.60 0.00 -1.01 -2.80 119.26 121.77 2jao h ALA 54 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2jao h ALA 54 Cb 1.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2jao h ALA 54 CO 0.09 0.54 -0.24 1.25 0.00 0.00 0.00 179.25 180.89 2jao h LEU 55 N 0.00 -0.57 -7.10 0.00 5.85 -1.01 -3.46 115.31 109.02 2jao h LEU 55 Ca -0.00 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 2jao h LEU 55 Cb 0.89 0.15 -0.24 0.00 0.37 0.00 0.00 40.66 41.83 2jao h LEU 55 CO 0.06 -0.17 -0.20 -0.60 -0.34 0.00 0.00 178.44 177.19 2jao s ARG 56 N -4.21 0.50 0.30 1.25 3.52 -0.70 -5.09 118.95 114.52 2jao s ARG 56 Ca -0.12 1.08 0.03 0.00 -0.13 0.00 0.00 55.73 56.59 2jao s ARG 56 Cb 0.01 0.25 0.77 0.00 -1.56 0.00 0.00 34.95 34.43 2jao s ARG 56 CO 0.40 -0.18 1.60 -1.35 -0.81 0.00 0.00 175.30 174.96 2jao h PRO 57 N 7.48 0.08 0.00 5.12 0.11 -1.73 -0.27 132.00 142.79 2jao h PRO 57 Ca -0.27 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 2jao h PRO 57 Cb 1.17 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2jao h PRO 57 CO 0.18 0.05 -0.00 0.38 -0.21 0.00 0.00 178.00 178.41 2jao h ASP 58 N 0.08 0.00 1.25 -2.05 3.04 -1.90 -2.98 116.42 113.86 2jao h ASP 58 Ca 0.59 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.38 2jao h ASP 58 Cb 1.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 2jao h ASP 58 CO -0.79 0.00 0.00 -0.07 -2.04 0.00 0.00 179.24 176.34 2jao h LEU 59 N 0.00 0.00 -0.36 0.15 3.38 -1.27 -2.83 115.31 114.38 2jao h LEU 59 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2jao h LEU 59 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2jao h LEU 59 CO 0.00 0.00 0.13 0.00 0.09 0.00 0.00 178.44 178.66 2jao h ALA 60 N 2.00 0.47 -0.29 1.53 0.00 -1.66 -1.41 119.26 119.90 2jao h ALA 60 Ca 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2jao h ALA 60 Cb 0.63 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2jao h ALA 60 CO 0.00 0.08 -0.18 1.49 0.00 0.00 0.00 179.25 180.64 2jao h GLU 61 N 0.43 0.53 -0.05 0.00 4.81 -1.71 -1.96 114.58 116.63 2jao h GLU 61 Ca 0.12 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 2jao h GLU 61 Cb 0.21 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2jao h GLU 61 CO -0.01 0.68 -0.13 0.87 -0.73 0.00 0.00 179.01 179.69 2jao h LYS 62 N 0.48 0.18 -0.80 1.92 1.57 -1.31 -2.11 116.57 116.49 2jao h LYS 62 Ca 0.08 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2jao h LYS 62 Cb 0.58 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 2jao h LYS 62 CO 0.04 0.74 0.40 -0.24 -0.57 0.00 0.00 179.45 179.82 2jao h VAL 63 N -0.36 1.25 -0.55 0.50 3.04 -1.26 -2.41 116.25 116.46 2jao h VAL 63 Ca -0.00 -0.67 0.03 0.00 -1.01 0.00 0.00 66.70 65.04 2jao h VAL 63 Cb 0.75 0.21 -0.03 0.00 -2.01 0.00 0.00 31.29 30.21 2jao h VAL 63 CO 0.03 0.29 0.36 0.00 -1.01 0.00 0.00 177.57 177.24 2jao h ALA 64 N 1.21 1.72 0.00 3.17 0.00 -1.30 -1.21 119.26 122.84 2jao h ALA 64 Ca 0.28 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2jao h ALA 64 Cb 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2jao h ALA 64 CO -0.04 0.23 -0.08 0.66 0.00 0.00 0.00 179.25 180.02 2jao h SER 65 N 0.64 0.00 0.29 0.00 4.64 -0.85 -1.78 113.55 116.49 2jao h SER 65 Ca 0.22 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 2jao h SER 65 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2jao h SER 65 CO -0.06 0.08 -0.14 0.58 -0.87 0.00 0.00 176.83 176.42 2jao h VAL 66 N 0.00 0.72 0.00 0.95 2.07 -1.17 -3.08 116.25 115.75 2jao h VAL 66 Ca -0.00 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2jao h VAL 66 Cb 0.19 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2jao h VAL 66 CO 0.01 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.72 2jao n TYR 67 N -5.12 0.00 1.18 1.57 4.11 -1.01 -2.25 117.16 115.65 2jao n TYR 67 Ca -0.09 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 57.93 2jao n TYR 67 Cb 0.26 -0.45 0.28 0.00 -0.00 0.00 0.00 39.34 39.43 2jao n TYR 67 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 2jao n GLU 68 N -1.45 0.94 -2.57 -3.48 1.02 -0.70 -4.81 120.64 109.59 2jao n GLU 68 Ca 0.07 -0.63 -0.38 0.00 -0.02 0.00 0.00 57.16 56.21 2jao n GLU 68 Cb 0.25 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.14 2jao n GLU 68 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2jao s SER 69 N -2.49 6.98 0.24 1.62 0.01 -0.95 -4.83 113.70 114.28 2jao s SER 69 Ca 0.23 2.06 -0.31 0.00 1.31 0.00 0.00 55.95 59.24 2jao s SER 69 Cb 0.19 -2.59 -0.14 0.00 0.21 0.00 0.00 66.02 63.68 2jao s SER 69 CO 0.53 -0.33 1.21 -2.65 0.41 0.00 0.00 173.24 172.41 2jao n PRO 70 N 0.35 1.58 0.00 12.44 -0.02 -1.26 -2.42 135.00 145.68 2jao n PRO 70 Ca 0.03 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2jao n PRO 70 Cb 0.48 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2jao n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jao n GLY 71 N 1.74 2.72 0.37 -1.23 0.00 -1.26 -4.95 105.19 102.58 2jao n GLY 71 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 2jao n GLY 71 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2jao h PHE 72 N 0.00 -0.85 -0.60 1.61 3.57 -1.79 -2.19 116.94 116.69 2jao h PHE 72 Ca 0.00 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 2jao h PHE 72 Cb 0.00 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 2jao h PHE 72 CO 0.00 -0.51 0.14 0.74 -2.23 0.00 0.00 178.31 176.46 2jao h PHE 73 N -0.97 1.01 -0.88 0.41 0.04 -1.82 -3.15 116.94 111.58 2jao h PHE 73 Ca -0.09 -0.12 0.18 0.00 2.80 0.00 0.00 57.97 60.74 2jao h PHE 73 Cb 0.72 -0.28 -0.11 0.00 2.20 0.00 0.00 35.95 38.47 2jao h PHE 73 CO -0.02 0.85 0.43 1.25 -0.60 0.00 0.00 178.31 180.23 2jao h LEU 74 N 0.87 0.46 -2.16 1.54 5.85 -1.75 -3.07 115.31 117.05 2jao h LEU 74 Ca 0.19 0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.03 2jao h LEU 74 Cb 0.35 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2jao h LEU 74 CO 0.00 0.13 0.00 0.59 -0.34 0.00 0.00 178.44 178.82 2jao n ASN 75 N -4.94 3.25 -4.69 1.25 4.13 -0.83 -4.76 115.26 108.67 2jao n ASN 75 Ca 0.20 -1.97 -0.43 0.00 1.68 0.00 0.00 54.58 54.06 2jao n ASN 75 Cb 0.54 -0.21 -0.01 0.00 -1.54 0.00 0.00 39.78 38.55 2jao n ASN 75 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2jao n LEU 76 N 1.37 3.39 -4.80 3.41 4.77 -1.16 -4.97 117.00 119.00 2jao n LEU 76 Ca 0.19 1.18 -0.34 0.00 -0.03 0.00 0.00 56.01 57.01 2jao n LEU 76 Cb 0.58 -1.46 -0.02 0.00 -2.33 0.00 0.00 43.42 40.18 2jao n LEU 76 CO 0.16 -0.47 0.72 -1.61 -1.33 0.00 0.00 177.39 174.85 2jao s GLU 77 N -1.24 3.66 0.62 3.23 2.02 -1.26 -4.83 118.70 120.91 2jao s GLU 77 Ca 0.61 1.32 -0.17 0.00 0.02 0.00 0.00 54.97 56.75 2jao s GLU 77 Cb -0.60 -2.08 -0.02 0.00 0.10 0.00 0.00 34.13 31.54 2jao s GLU 77 CO 0.57 -0.54 1.14 -2.14 0.02 0.00 0.00 175.26 174.30 2jao s PRO 78 N -3.47 2.92 0.28 0.39 0.02 -1.26 -0.57 135.00 133.30 2jao s PRO 78 Ca 0.66 1.56 -0.29 0.00 0.02 0.00 0.00 61.00 62.95 2jao s PRO 78 Cb -0.16 -1.95 -0.10 0.00 0.02 0.00 0.00 34.50 32.31 2jao s PRO 78 CO 0.25 -1.19 1.30 0.42 -0.33 0.00 0.00 177.00 177.45 2jao s ILE 79 N -2.03 2.95 0.11 2.83 -1.09 -0.01 -4.61 121.20 119.35 2jao s ILE 79 Ca 0.71 0.88 -0.34 0.00 -2.23 0.00 0.00 60.65 59.67 2jao s ILE 79 Cb -0.24 -3.56 -0.14 0.00 -1.58 0.00 0.00 42.46 36.94 2jao s ILE 79 CO 0.36 0.18 1.61 -2.65 -1.23 0.00 0.00 174.94 173.21 2jao n PRO 80 N 1.54 2.05 -0.60 2.79 -0.02 -1.26 -1.87 135.00 137.64 2jao n PRO 80 Ca 0.02 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2jao n PRO 80 Cb 0.42 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2jao n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jao n GLY 81 N 3.51 1.58 0.13 -1.23 0.00 -1.26 -4.64 105.19 103.28 2jao n GLY 81 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 2jao n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jao h ALA 82 N 0.00 0.22 -0.26 4.61 0.00 -1.69 -1.97 119.26 120.17 2jao h ALA 82 Ca 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2jao h ALA 82 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2jao h ALA 82 CO 0.00 0.02 0.03 -0.07 0.00 0.00 0.00 179.25 179.23 2jao h LEU 83 N 0.00 0.43 -0.02 0.00 3.38 -1.91 -0.81 115.31 116.38 2jao h LEU 83 Ca 0.04 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.75 2jao h LEU 83 Cb 0.54 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2jao h LEU 83 CO 0.02 0.60 -0.17 0.44 0.09 0.00 0.00 178.44 179.43 2jao h ASP 84 N 0.24 -0.49 -0.85 -0.43 3.45 -1.96 -2.36 116.42 114.02 2jao h ASP 84 Ca 0.08 0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.60 2jao h ASP 84 Cb 0.37 0.21 -0.04 0.00 -0.56 0.00 0.00 39.33 39.30 2jao h ASP 84 CO 0.01 -0.22 0.50 0.00 -1.57 0.00 0.00 179.24 177.95 2jao h ALA 85 N 0.68 1.26 -0.21 3.45 0.00 -1.20 -1.82 119.26 121.41 2jao h ALA 85 Ca 0.06 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 2jao h ALA 85 Cb 0.34 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jao h ALA 85 CO -0.17 0.62 -0.64 1.25 0.00 0.00 0.00 179.25 180.31 2jao h LEU 86 N 1.19 0.87 -0.42 0.00 5.85 -1.07 -0.15 115.31 121.58 2jao h LEU 86 Ca 0.31 -0.51 0.03 0.00 0.84 0.00 0.00 57.88 58.55 2jao h LEU 86 Cb -0.02 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 2jao h LEU 86 CO -0.05 1.29 0.21 0.03 -0.34 0.00 0.00 178.44 179.57 2jao h ARG 87 N 0.56 0.40 -0.51 1.25 3.08 -1.31 -0.60 114.38 117.26 2jao h ARG 87 Ca -0.01 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 2jao h ARG 87 Cb 1.24 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 2jao h ARG 87 CO 0.13 0.27 0.14 1.49 -1.07 0.00 0.00 179.97 180.93 2jao h GLU 88 N 0.42 0.80 -0.37 0.04 4.81 -1.21 -2.69 114.58 116.39 2jao h GLU 88 Ca 0.18 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2jao h GLU 88 Cb 0.09 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2jao h GLU 88 CO -0.13 0.76 0.21 1.98 -0.73 0.00 0.00 179.01 181.11 2jao h MET 89 N 0.70 0.51 0.00 1.92 4.05 -0.90 -2.58 114.93 118.62 2jao h MET 89 Ca 0.16 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.52 2jao h MET 89 Cb 0.31 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.01 2jao h MET 89 CO -0.00 0.40 -0.03 -0.97 0.23 0.00 0.00 176.91 176.54 2jao h ASN 90 N 0.47 0.00 0.27 1.39 -1.24 -1.02 -2.47 115.58 112.99 2jao h ASN 90 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.14 2jao h ASN 90 Cb 0.03 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.08 2jao h ASN 90 CO -0.02 0.03 -0.27 0.47 -1.29 0.00 0.00 177.43 176.34 2jao n ASP 91 N -4.08 0.95 -4.77 1.15 8.00 -0.99 -4.92 116.55 111.90 2jao n ASP 91 Ca -0.03 -0.82 -0.39 0.00 0.71 0.00 0.00 54.79 54.26 2jao n ASP 91 Cb 0.11 0.14 -0.02 0.00 -0.02 0.00 0.00 41.12 41.33 2jao n ASP 91 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2jao s MET 92 N -2.55 4.17 0.38 -1.24 -1.94 -0.93 -4.98 119.30 112.21 2jao s MET 92 Ca 0.23 1.99 -0.25 0.00 -1.71 0.00 0.00 55.69 55.94 2jao s MET 92 Cb 0.19 -2.84 -0.09 0.00 2.01 0.00 0.00 34.83 34.10 2jao s MET 92 CO 0.53 -0.27 1.11 -1.59 -0.01 0.00 0.00 175.02 174.80 2jao s LYS 93 N -2.07 4.19 -1.49 2.03 -2.85 -1.26 -3.37 119.74 114.93 2jao s LYS 93 Ca 0.54 1.70 -0.09 0.00 -1.00 0.00 0.00 55.97 57.11 2jao s LYS 93 Cb -0.34 -2.70 0.06 0.00 -2.06 0.00 0.00 37.83 32.79 2jao s LYS 93 CO 0.44 -0.16 0.81 -0.25 0.10 0.00 0.00 175.35 176.29 2jao n ASP 94 N 0.20 -3.11 -3.80 0.03 8.00 -1.26 -4.96 116.55 111.65 2jao n ASP 94 Ca 0.04 -0.85 -0.16 0.00 0.71 0.00 0.00 54.79 54.52 2jao n ASP 94 Cb 0.47 -3.65 -0.16 0.00 -0.02 0.00 0.00 41.12 37.76 2jao n ASP 94 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2jao s THR 95 N -3.48 0.10 -0.13 -3.53 2.01 -1.22 -1.80 115.64 107.60 2jao s THR 95 Ca 0.43 0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.59 2jao s THR 95 Cb -0.22 -0.21 0.01 0.00 0.01 0.00 0.00 72.50 72.08 2jao s THR 95 CO 0.85 0.13 -0.23 -1.61 -0.69 0.00 0.00 174.62 173.07 2jao s GLU 96 N 1.06 3.02 -0.09 4.92 2.02 -0.54 -4.83 118.70 124.27 2jao s GLU 96 Ca -0.09 -0.86 0.03 0.00 0.02 0.00 0.00 54.97 54.07 2jao s GLU 96 Cb -0.13 -2.38 -0.01 0.00 0.10 0.00 0.00 34.13 31.70 2jao s GLU 96 CO -0.02 0.05 -0.18 0.08 0.02 0.00 0.00 175.26 175.21 2jao s VAL 97 N 0.65 2.63 0.07 2.63 1.01 -1.26 -0.18 120.40 125.96 2jao s VAL 97 Ca -0.11 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.10 2jao s VAL 97 Cb -0.16 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 2jao s VAL 97 CO 0.02 0.56 -0.17 -0.36 0.00 0.00 0.00 175.10 175.14 2jao s PHE 98 N 0.00 1.50 -0.26 5.22 0.40 -0.82 -4.90 117.98 119.11 2jao s PHE 98 Ca -0.06 -0.42 -0.10 0.00 -0.60 0.00 0.00 56.93 55.76 2jao s PHE 98 Cb -0.15 -0.85 -0.04 0.00 0.51 0.00 0.00 43.02 42.49 2jao s PHE 98 CO 0.05 0.11 0.15 0.42 0.70 0.00 0.00 175.22 176.65 2jao s ILE 99 N -1.11 5.03 -0.24 0.64 1.01 0.13 -0.95 121.20 125.71 2jao s ILE 99 Ca 0.03 0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.77 2jao s ILE 99 Cb -0.09 -3.38 0.04 0.00 0.01 0.00 0.00 42.46 39.04 2jao s ILE 99 CO 0.03 0.29 -0.12 0.00 0.00 0.00 0.00 174.94 175.14 2jao s THR 101 N 1.19 0.42 -0.26 0.00 -1.32 -0.57 -3.83 115.64 111.27 2jao s THR 101 Ca -0.04 -0.66 -0.09 0.00 -1.21 0.00 0.00 61.69 59.70 2jao s THR 101 Cb -0.18 -0.44 -0.04 0.00 -1.51 0.00 0.00 72.50 70.34 2jao s THR 101 CO -0.07 -0.17 0.13 -0.89 -2.21 0.00 0.00 174.62 171.41 2jao s THR 102 N -0.80 4.79 0.58 5.08 2.01 -1.25 -1.83 115.64 124.22 2jao s THR 102 Ca -0.05 -0.01 -0.09 0.00 0.31 0.00 0.00 61.69 61.85 2jao s THR 102 Cb -0.06 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 2jao s THR 102 CO 0.00 0.29 0.94 -2.16 -0.69 0.00 0.00 174.62 173.01 2jao s PRO 103 N 1.68 3.43 0.61 4.92 0.04 -1.26 -5.00 135.00 139.42 2jao s PRO 103 Ca 0.07 0.46 -0.19 0.00 0.04 0.00 0.00 61.00 61.37 2jao s PRO 103 Cb -0.16 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 2jao s PRO 103 CO 0.07 -0.51 1.31 -0.51 0.04 0.00 0.00 177.00 177.39 2jao s LEU 104 N -5.03 3.67 0.49 -3.56 1.43 -1.26 -4.93 118.68 109.49 2jao s LEU 104 Ca 0.53 2.64 0.18 0.00 -1.03 0.00 0.00 54.13 56.45 2jao s LEU 104 Cb -0.11 -4.51 1.20 0.00 0.03 0.00 0.00 46.19 42.80 2jao s LEU 104 CO 0.50 -1.83 2.06 -0.07 0.23 0.00 0.00 176.35 177.24 2jao h LEU 105 N 0.87 0.00 -7.85 1.79 3.38 -2.05 -3.10 115.31 108.34 2jao h LEU 105 Ca -0.51 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 56.77 2jao h LEU 105 Cb 1.32 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.95 2jao h LEU 105 CO 0.55 0.12 1.76 -0.54 0.09 0.00 0.00 178.44 180.42 2jao s LYS 106 N -4.66 3.95 0.26 1.13 1.02 -1.26 -4.83 119.74 115.35 2jao s LYS 106 Ca -0.04 -2.07 0.25 0.00 0.02 0.00 0.00 55.97 54.13 2jao s LYS 106 Cb 0.16 -5.33 0.93 0.00 -0.52 0.00 0.00 37.83 33.07 2jao s LYS 106 CO 0.66 -2.06 1.75 0.10 -0.92 0.00 0.00 175.35 174.87 2jao h TYR 107 N 7.78 0.00 -0.57 3.18 -0.00 -1.93 -3.39 116.97 122.03 2jao h TYR 107 Ca 0.36 0.00 0.11 0.00 -0.00 0.00 0.00 58.73 59.20 2jao h TYR 107 Cb 0.90 0.00 -0.09 0.00 -0.00 0.00 0.00 36.73 37.53 2jao h TYR 107 CO 1.29 0.00 0.02 -0.44 -0.00 0.00 0.00 178.16 179.03 2jao h ASP 108 N 0.00 -0.21 -0.24 0.10 3.32 -1.89 -1.62 116.42 115.88 2jao h ASP 108 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2jao h ASP 108 Cb 0.51 0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2jao h ASP 108 CO 0.00 -0.08 0.00 1.41 -1.72 0.00 0.00 179.24 178.85 2jao n HIS 109 N -5.24 0.57 -0.10 4.55 8.25 -1.26 -4.66 115.22 117.33 2jao n HIS 109 Ca 0.08 -0.71 -0.18 0.00 -0.26 0.00 0.00 57.72 56.64 2jao n HIS 109 Cb 0.32 -0.17 -0.06 0.00 1.12 0.00 0.00 29.99 31.20 2jao n HIS 109 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jao h VAL 111 N -0.89 1.30 -0.33 0.00 -1.51 -1.68 -1.36 116.25 111.78 2jao h VAL 111 Ca -0.33 -1.04 -0.03 0.00 -1.23 0.00 0.00 66.70 64.07 2jao h VAL 111 Cb 1.24 1.72 -0.01 0.00 -2.13 0.00 0.00 31.29 32.10 2jao h VAL 111 CO -0.20 0.30 0.09 1.23 -1.23 0.00 0.00 177.57 177.76 2jao h GLY 112 N -0.06 0.56 1.53 5.19 0.00 -1.85 -3.01 103.07 105.43 2jao h GLY 112 Ca 0.03 -0.34 0.01 0.00 0.00 0.00 0.00 47.33 47.04 2jao h GLY 112 CO 0.02 0.32 0.29 0.83 0.00 0.00 0.00 176.54 178.00 2jao h GLU 113 N 0.38 0.55 -0.63 4.80 5.08 -1.76 -2.32 114.58 120.68 2jao h GLU 113 Ca 0.11 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 2jao h GLU 113 Cb 0.27 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2jao h GLU 113 CO -0.00 0.36 0.11 0.87 -1.00 0.00 0.00 179.01 179.35 2jao h LYS 114 N 0.56 1.03 -0.23 2.33 1.57 -1.13 0.72 116.57 121.42 2jao h LYS 114 Ca 0.17 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2jao h LYS 114 Cb -0.01 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2jao h LYS 114 CO -0.04 0.95 0.10 1.88 -0.57 0.00 0.00 179.45 181.77 2jao h TYR 115 N 0.94 0.35 -0.50 -1.35 -1.99 -1.36 -2.63 116.97 110.43 2jao h TYR 115 Ca 0.19 -0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.82 2jao h TYR 115 Cb 0.41 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 39.02 2jao h TYR 115 CO 0.03 0.37 -0.01 -0.09 -0.00 0.00 0.00 178.16 178.46 2jao h ARG 116 N 0.23 0.85 -0.42 4.88 2.43 -1.33 -1.76 114.38 119.26 2jao h ARG 116 Ca 0.08 -0.24 0.07 0.00 -0.81 0.00 0.00 59.98 59.08 2jao h ARG 116 Cb 0.16 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.56 2jao h ARG 116 CO -0.01 0.86 0.05 2.35 -1.51 0.00 0.00 179.97 181.71 2jao h TRP 117 N 0.78 0.08 -0.42 2.20 7.01 -0.70 -0.50 115.95 124.40 2jao h TRP 117 Ca 0.15 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.12 2jao h TRP 117 Cb 0.49 0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.56 2jao h TRP 117 CO 0.03 -0.03 0.04 0.28 -2.79 0.00 0.00 178.44 175.97 2jao h VAL 118 N 0.17 1.25 -0.46 2.65 2.07 -1.21 0.57 116.25 121.30 2jao h VAL 118 Ca 0.21 -0.93 0.05 0.00 0.82 0.00 0.00 66.70 66.84 2jao h VAL 118 Cb 0.27 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2jao h VAL 118 CO -0.30 0.32 0.21 -0.08 0.02 0.00 0.00 177.57 177.74 2jao h GLU 119 N 0.56 0.40 0.15 1.57 4.81 -1.06 -0.33 114.58 120.68 2jao h GLU 119 Ca 0.12 -0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 59.04 2jao h GLU 119 Cb 0.41 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.71 2jao h GLU 119 CO 0.01 0.27 -1.29 1.96 -0.73 0.00 0.00 179.01 179.23 2jao h GLN 120 N 0.41 0.32 0.00 1.92 4.20 -0.86 -2.83 115.11 118.27 2jao h GLN 120 Ca 0.21 -0.54 -0.08 0.00 0.06 0.00 0.00 58.65 58.30 2jao h GLN 120 Cb 0.15 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2jao h GLN 120 CO -0.17 1.26 -1.38 0.09 -0.67 0.00 0.00 178.83 177.96 2jao n ASN 121 N -3.56 0.68 0.03 1.46 4.13 0.17 -4.73 115.26 113.44 2jao n ASN 121 Ca -0.10 0.28 0.00 0.00 1.68 0.00 0.00 54.58 56.44 2jao n ASN 121 Cb 1.04 0.62 0.00 0.00 -1.54 0.00 0.00 39.78 39.90 2jao n ASN 121 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2jao n LEU 122 N -2.69 0.62 0.00 3.41 4.77 -0.28 -4.99 117.00 117.84 2jao n LEU 122 Ca -0.06 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2jao n LEU 122 Cb 0.69 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2jao n LEU 122 CO 0.42 -0.43 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 2jao n GLY 123 N 3.24 4.41 0.41 -0.72 0.00 -0.39 -4.87 105.19 107.28 2jao n GLY 123 Ca 0.00 -1.50 0.22 0.00 0.00 0.00 0.00 46.02 44.74 2jao n GLY 123 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jao h PRO 124 N 0.00 0.37 -0.71 1.61 0.11 -1.85 0.60 132.00 132.12 2jao h PRO 124 Ca 0.00 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.12 2jao h PRO 124 Cb 0.00 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 30.99 2jao h PRO 124 CO 0.00 0.24 0.47 1.05 -0.21 0.00 0.00 178.00 179.55 2jao h GLU 125 N 0.38 0.84 0.00 1.05 9.09 -1.95 -2.26 114.58 121.73 2jao h GLU 125 Ca 0.55 -0.05 -0.09 0.00 0.05 0.00 0.00 59.36 59.82 2jao h GLU 125 Cb 1.45 -0.19 -0.01 0.00 -1.65 0.00 0.00 28.75 28.34 2jao h GLU 125 CO -0.24 0.56 -0.45 0.74 0.05 0.00 0.00 179.01 179.67 2jao h PHE 126 N 0.87 0.00 -0.91 2.06 0.04 -1.21 -3.16 116.94 114.63 2jao h PHE 126 Ca 0.28 0.00 0.10 0.00 2.80 0.00 0.00 57.97 61.15 2jao h PHE 126 Cb 0.05 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.13 2jao h PHE 126 CO -0.00 0.45 0.58 0.28 -0.60 0.00 0.00 178.31 179.02 2jao h VAL 127 N 0.00 0.96 0.00 -0.55 2.07 -1.26 -1.77 116.25 115.69 2jao h VAL 127 Ca -0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2jao h VAL 127 Cb 1.08 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2jao h VAL 127 CO 0.06 0.16 0.00 -0.33 0.02 0.00 0.00 177.57 177.48 2jao h GLU 128 N 0.89 0.00 -0.46 1.57 5.08 -1.57 -2.84 114.58 117.25 2jao h GLU 128 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2jao h GLU 128 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2jao h GLU 128 CO -0.19 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.36 2jao n ARG 129 N -2.73 2.71 -2.49 2.33 5.12 -0.67 -4.98 116.66 115.96 2jao n ARG 129 Ca -0.01 -2.23 -0.41 0.00 -1.93 0.00 0.00 57.85 53.26 2jao n ARG 129 Cb 0.12 -1.38 -0.04 0.00 -1.16 0.00 0.00 32.46 30.00 2jao n ARG 129 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2jao s ILE 130 N -1.02 3.94 -0.18 0.55 1.01 -1.08 -0.69 121.20 123.73 2jao s ILE 130 Ca 0.32 1.58 0.01 0.00 0.00 0.00 0.00 60.65 62.56 2jao s ILE 130 Cb 0.17 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.65 2jao s ILE 130 CO 0.22 0.23 -0.19 -0.63 0.00 0.00 0.00 174.94 174.57 2jao s ILE 131 N 0.13 1.98 -0.19 2.92 1.01 0.73 -4.92 121.20 122.86 2jao s ILE 131 Ca 0.52 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 60.15 2jao s ILE 131 Cb -0.29 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.32 2jao s ILE 131 CO 0.33 0.51 0.18 -0.76 0.00 0.00 0.00 174.94 175.21 2jao s LEU 132 N 1.32 4.21 -0.03 2.97 1.02 -1.26 -1.51 118.68 125.40 2jao s LEU 132 Ca 0.05 0.30 -0.29 0.00 0.02 0.00 0.00 54.13 54.21 2jao s LEU 132 Cb -0.13 -2.18 0.06 0.00 0.02 0.00 0.00 46.19 43.96 2jao s LEU 132 CO -0.12 0.14 0.63 0.28 0.02 0.00 0.00 176.35 177.30 2jao s THR 133 N 0.47 0.01 -2.76 5.49 -1.32 -0.76 -4.98 115.64 111.79 2jao s THR 133 Ca 0.11 -0.06 0.25 0.00 -1.21 0.00 0.00 61.69 60.78 2jao s THR 133 Cb -0.12 -0.96 0.34 0.00 -1.51 0.00 0.00 72.50 70.25 2jao s THR 133 CO 0.00 -0.03 1.44 0.54 -2.21 0.00 0.00 174.62 174.36 2jao n ARG 134 N 0.85 2.11 -3.60 7.08 5.12 -1.26 -3.79 116.66 123.17 2jao n ARG 134 Ca -0.19 -1.63 -0.28 0.00 -1.93 0.00 0.00 57.85 53.82 2jao n ARG 134 Cb 0.57 -1.47 -0.16 0.00 -1.16 0.00 0.00 32.46 30.25 2jao n ARG 134 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2jao s ASP 135 N -1.92 3.31 0.45 0.55 -1.08 -1.26 -5.00 116.67 111.71 2jao s ASP 135 Ca 0.32 -1.16 0.26 0.00 -0.52 0.00 0.00 52.55 51.45 2jao s ASP 135 Cb 0.20 -0.42 0.60 0.00 -1.46 0.00 0.00 42.92 41.84 2jao s ASP 135 CO 0.31 -0.41 1.70 0.11 0.52 0.00 0.00 175.17 177.41 2jao h LYS 136 N 8.35 0.00 0.00 4.34 1.57 -1.86 -3.28 116.57 125.69 2jao h LYS 136 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2jao h LYS 136 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2jao h LYS 136 CO 0.41 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 181.08 2jao h THR 137 N 0.00 0.00 -0.18 -0.16 1.35 -1.92 -2.54 112.91 109.46 2jao h THR 137 Ca 0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2jao h THR 137 Cb 0.87 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 2jao h THR 137 CO 0.00 0.00 0.00 1.33 -0.25 0.00 0.00 175.52 176.60 2jao n VAL 138 N -2.76 0.23 -3.67 6.82 0.24 -1.24 -4.65 118.33 113.30 2jao n VAL 138 Ca -0.00 -0.47 -0.36 0.00 -2.04 0.00 0.00 64.34 61.47 2jao n VAL 138 Cb 0.19 0.74 -0.07 0.00 -1.47 0.00 0.00 33.84 33.23 2jao n VAL 138 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2jao s VAL 139 N -1.77 5.37 -0.29 3.34 1.01 -0.96 -5.07 120.40 122.03 2jao s VAL 139 Ca 0.34 0.34 -0.17 0.00 0.00 0.00 0.00 61.98 62.50 2jao s VAL 139 Cb 0.20 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 2jao s VAL 139 CO 0.30 0.44 0.45 -0.04 0.00 0.00 0.00 175.10 176.24 2jao s MET 140 N 0.23 3.90 0.32 2.72 -1.94 -1.26 -4.71 119.30 118.56 2jao s MET 140 Ca 0.12 0.04 -0.15 0.00 -1.71 0.00 0.00 55.69 54.00 2jao s MET 140 Cb -0.12 -3.70 0.02 0.00 2.01 0.00 0.00 34.83 33.04 2jao s MET 140 CO 0.01 -0.40 0.66 0.20 -0.01 0.00 0.00 175.02 175.47 2jao s GLY 141 N 1.65 0.43 -0.14 -0.03 0.00 -1.26 -5.03 107.32 102.95 2jao s GLY 141 Ca 0.17 -0.76 0.04 0.00 0.00 0.00 0.00 44.72 44.17 2jao s GLY 141 CO 0.11 -0.41 0.29 1.22 0.00 0.00 0.00 173.10 174.30 2jao n ASP 142 N -0.91 1.44 -4.06 1.64 9.92 -0.11 -2.33 116.55 122.13 2jao n ASP 142 Ca -0.04 0.17 -0.17 0.00 -0.53 0.00 0.00 54.79 54.21 2jao n ASP 142 Cb 0.60 -0.28 -0.13 0.00 -0.64 0.00 0.00 41.12 40.67 2jao n ASP 142 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2jao s LEU 143 N -6.45 2.13 -0.21 0.64 1.43 -1.07 -1.31 118.68 113.85 2jao s LEU 143 Ca -0.18 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 2jao s LEU 143 Cb 0.07 -0.39 0.05 0.00 0.03 0.00 0.00 46.19 45.95 2jao s LEU 143 CO 0.76 -0.01 -0.10 -0.22 0.23 0.00 0.00 176.35 177.01 2jao s LEU 144 N -0.87 2.45 -0.44 1.79 2.96 -0.39 -0.50 118.68 123.68 2jao s LEU 144 Ca -0.01 -0.97 -0.18 0.00 -0.22 0.00 0.00 54.13 52.74 2jao s LEU 144 Cb -0.06 -1.28 0.03 0.00 0.50 0.00 0.00 46.19 45.38 2jao s LEU 144 CO 0.00 -0.15 0.52 -0.63 -1.32 0.00 0.00 176.35 174.77 2jao s ILE 145 N 1.35 5.00 -0.19 6.68 1.01 -0.26 -0.66 121.20 134.13 2jao s ILE 145 Ca -0.02 -0.31 -0.14 0.00 0.00 0.00 0.00 60.65 60.18 2jao s ILE 145 Cb -0.17 -4.13 0.05 0.00 0.01 0.00 0.00 42.46 38.23 2jao s ILE 145 CO -0.08 -0.54 0.48 -0.62 0.00 0.00 0.00 174.94 174.17 2jao s ASP 146 N 2.06 -0.55 0.00 3.58 -1.08 -0.98 -1.34 116.67 118.36 2jao s ASP 146 Ca 0.15 1.00 0.28 0.00 -0.52 0.00 0.00 52.55 53.46 2jao s ASP 146 Cb -0.17 0.95 1.22 0.00 -1.46 0.00 0.00 42.92 43.46 2jao s ASP 146 CO 0.14 -0.18 1.91 -0.90 0.52 0.00 0.00 175.17 176.66 2jao n ASP 147 N 3.51 0.00 -4.73 -0.34 5.75 -1.26 -2.19 116.55 117.29 2jao n ASP 147 Ca -0.18 0.47 -0.42 0.00 -0.01 0.00 0.00 54.79 54.66 2jao n ASP 147 Cb 0.56 -0.49 -0.03 0.00 -1.03 0.00 0.00 41.12 40.13 2jao n ASP 147 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2jao s LYS 148 N -2.98 4.40 0.21 0.11 2.20 -1.26 -4.83 119.74 117.59 2jao s LYS 148 Ca 0.14 1.97 0.02 0.00 -0.36 0.00 0.00 55.97 57.75 2jao s LYS 148 Cb 0.19 -3.25 0.15 0.00 -1.51 0.00 0.00 37.83 33.41 2jao s LYS 148 CO 0.51 -0.27 1.49 0.38 -0.36 0.00 0.00 175.35 177.11 2jao h ASP 149 N 5.99 0.33 -3.26 1.43 3.04 -1.98 -3.42 116.42 118.55 2jao h ASP 149 Ca -0.43 -0.21 -0.49 0.00 -3.24 0.00 0.00 57.03 52.66 2jao h ASP 149 Cb 1.21 -0.10 -0.39 0.00 -1.04 0.00 0.00 39.33 39.02 2jao h ASP 149 CO 0.80 0.91 -0.77 0.21 -2.04 0.00 0.00 179.24 178.35 2jao s ASN 150 N -6.92 2.24 -0.23 4.15 3.84 -1.26 -5.08 114.94 111.69 2jao s ASN 150 Ca -0.04 -0.42 -0.06 0.00 0.21 0.00 0.00 52.86 52.54 2jao s ASN 150 Cb 0.11 -0.59 -0.03 0.00 -0.55 0.00 0.00 41.25 40.19 2jao s ASN 150 CO 0.81 -0.22 0.04 -0.63 -2.79 0.00 0.00 177.10 174.31 2jao s ILE 151 N 1.87 4.13 0.29 -5.21 1.01 -1.26 -5.09 121.20 116.94 2jao s ILE 151 Ca 0.02 -0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.48 2jao s ILE 151 Cb -0.14 -2.90 -0.06 0.00 0.01 0.00 0.00 42.46 39.37 2jao s ILE 151 CO -0.07 0.38 0.00 -1.10 0.00 0.00 0.00 174.94 174.16 2jao s GLN 152 N 1.32 1.54 0.00 2.79 -1.52 -1.26 -5.02 119.66 117.52 2jao s GLN 152 Ca 0.05 -1.81 0.00 0.00 -1.95 0.00 0.00 55.36 51.64 2jao s GLN 152 Cb -0.15 -0.92 0.00 0.00 -0.22 0.00 0.00 33.01 31.72 2jao s GLN 152 CO 0.02 -0.08 0.00 0.41 -0.25 0.00 0.00 175.29 175.39 2jao n GLY 153 N -0.59 -0.56 0.21 3.09 0.00 -1.26 -4.70 105.19 101.39 2jao n GLY 153 Ca -0.04 -0.76 0.11 0.00 0.00 0.00 0.00 46.02 45.33 2jao n GLY 153 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jao h LEU 154 N 0.00 0.00 -8.63 0.99 3.38 -1.96 -3.41 115.31 105.68 2jao h LEU 154 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 2jao h LEU 154 Cb 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 2jao h LEU 154 CO 0.00 0.11 0.19 -0.70 0.09 0.00 0.00 178.44 178.13 2jao s GLU 155 N -3.25 3.38 0.33 1.13 2.56 -1.26 -4.95 118.70 116.63 2jao s GLU 155 Ca 0.05 -0.23 0.01 0.00 0.00 0.00 0.00 54.97 54.80 2jao s GLU 155 Cb 0.06 -3.92 0.55 0.00 2.00 0.00 0.00 34.13 32.82 2jao s GLU 155 CO 0.67 -0.99 1.96 1.49 -0.56 0.00 0.00 175.26 177.82 2jao h GLU 156 N 8.83 0.86 -3.22 4.30 4.81 -1.95 -3.33 114.58 124.89 2jao h GLU 156 Ca -0.25 -0.08 -0.62 0.00 -0.13 0.00 0.00 59.36 58.27 2jao h GLU 156 Cb 1.10 -0.18 -0.40 0.00 0.63 0.00 0.00 28.75 29.89 2jao h GLU 156 CO 0.90 0.62 -0.70 0.99 -0.73 0.00 0.00 179.01 180.10 2jao s THR 157 N -5.62 1.86 0.83 0.32 2.01 -1.26 -5.09 115.64 108.69 2jao s THR 157 Ca -0.10 -2.79 -0.13 0.00 0.31 0.00 0.00 61.69 58.98 2jao s THR 157 Cb 0.17 -2.30 0.08 0.00 0.01 0.00 0.00 72.50 70.46 2jao s THR 157 CO 0.78 -0.84 1.10 -2.65 -0.69 0.00 0.00 174.62 172.32 2jao n PRO 158 N 3.46 0.08 0.22 4.92 -0.02 -1.25 -4.93 135.00 137.47 2jao n PRO 158 Ca 0.07 0.10 0.10 0.00 -2.02 0.00 0.00 63.50 61.74 2jao n PRO 158 Cb 0.34 -2.36 0.42 0.00 -0.02 0.00 0.00 33.50 31.89 2jao n PRO 158 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2jao h SER 159 N -1.04 0.00 -3.37 2.55 4.64 -1.82 -3.46 113.55 111.05 2jao h SER 159 Ca -0.46 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.36 2jao h SER 159 Cb 1.30 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.39 2jao h SER 159 CO 0.44 0.23 -0.02 -1.66 -0.87 0.00 0.00 176.83 174.95 2jao s TRP 160 N -3.58 3.50 -0.16 4.77 1.48 -0.99 -4.61 118.94 119.34 2jao s TRP 160 Ca 0.01 0.75 -0.17 0.00 -1.06 0.00 0.00 56.10 55.64 2jao s TRP 160 Cb 0.10 -2.21 -0.04 0.00 -1.16 0.00 0.00 33.47 30.15 2jao s TRP 160 CO 0.64 -0.00 0.43 -2.00 -4.06 0.00 0.00 176.95 171.96 2jao s GLU 161 N -3.97 4.25 -0.19 3.25 2.12 -0.42 -4.91 118.70 118.83 2jao s GLU 161 Ca 0.46 0.31 -0.29 0.00 0.36 0.00 0.00 54.97 55.81 2jao s GLU 161 Cb -0.10 -3.49 -0.00 0.00 0.26 0.00 0.00 34.13 30.80 2jao s GLU 161 CO 0.34 0.05 1.09 -1.58 -0.54 0.00 0.00 175.26 174.62 2jao s HIS 162 N 1.00 3.26 -0.35 5.30 5.65 -1.26 -1.26 115.29 127.63 2jao s HIS 162 Ca 0.22 1.39 -0.13 0.00 0.25 0.00 0.00 55.06 56.79 2jao s HIS 162 Cb -0.15 -3.31 -0.01 0.00 -1.18 0.00 0.00 32.58 27.93 2jao s HIS 162 CO 0.08 -0.72 0.24 0.42 -0.65 0.00 0.00 174.74 174.12 2jao s ILE 163 N 3.02 5.24 -0.36 0.89 -1.09 0.16 -4.48 121.20 124.59 2jao s ILE 163 Ca 0.47 -0.29 -0.29 0.00 -2.23 0.00 0.00 60.65 58.31 2jao s ILE 163 Cb -0.17 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 2jao s ILE 163 CO 0.10 -0.05 1.37 -0.22 -1.23 0.00 0.00 174.94 174.92 2jao s LEU 164 N 1.71 3.73 -0.18 2.97 2.96 -0.23 -2.32 118.68 127.32 2jao s LEU 164 Ca 0.06 1.02 -0.29 0.00 -0.22 0.00 0.00 54.13 54.70 2jao s LEU 164 Cb -0.18 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 42.97 2jao s LEU 164 CO 0.10 -1.27 1.06 0.12 -1.32 0.00 0.00 176.35 175.04 2jao s PHE 165 N 4.96 3.34 0.20 5.38 5.36 -0.93 -0.28 117.98 136.01 2jao s PHE 165 Ca 0.59 1.45 -0.30 0.00 -0.96 0.00 0.00 56.93 57.71 2jao s PHE 165 Cb -0.15 -3.27 -0.09 0.00 -0.34 0.00 0.00 43.02 39.16 2jao s PHE 165 CO 0.28 -0.55 1.39 0.99 -1.46 0.00 0.00 175.22 175.87 2jao s THR 166 N 2.84 2.98 0.06 0.12 2.01 -0.62 -4.18 115.64 118.85 2jao s THR 166 Ca 0.47 0.79 -0.07 0.00 0.31 0.00 0.00 61.69 63.18 2jao s THR 166 Cb -0.17 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 2jao s THR 166 CO 0.11 0.11 0.15 0.00 -0.69 0.00 0.00 174.62 174.30 2jao h HIS 169 N -0.02 0.00 -0.02 0.00 2.07 -1.84 -3.11 115.15 112.23 2jao h HIS 169 Ca 0.39 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.91 2jao h HIS 169 Cb 0.64 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.62 2jao h HIS 169 CO -0.78 0.00 0.00 0.27 -3.07 0.00 0.00 177.93 174.35 2jao n ASN 170 N -2.33 1.46 -0.32 3.10 0.23 -0.52 -2.60 115.26 114.28 2jao n ASN 170 Ca 0.02 -1.28 -0.03 0.00 -0.53 0.00 0.00 54.58 52.76 2jao n ASN 170 Cb 0.23 -0.01 0.12 0.00 -2.08 0.00 0.00 39.78 38.03 2jao n ASN 170 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2jao h GLN 171 N 0.69 1.22 -0.02 -3.83 5.75 -1.21 -2.00 115.11 115.71 2jao h GLN 171 Ca 0.00 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 2jao h GLN 171 Cb 0.22 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 28.51 2jao h GLN 171 CO 0.00 0.87 0.00 0.72 -2.65 0.00 0.00 178.83 177.77 2jao n HIS 172 N -4.35 0.02 -2.45 3.99 8.25 -1.26 -4.91 115.22 114.50 2jao n HIS 172 Ca 0.10 -0.01 -0.42 0.00 -0.26 0.00 0.00 57.72 57.13 2jao n HIS 172 Cb 0.07 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 2jao n HIS 172 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2jao s LEU 173 N -1.96 4.36 -0.12 2.41 0.20 -0.75 -5.00 118.68 117.82 2jao s LEU 173 Ca 0.39 1.97 -0.20 0.00 0.69 0.00 0.00 54.13 56.99 2jao s LEU 173 Cb 0.21 -3.58 -0.04 0.00 -0.43 0.00 0.00 46.19 42.35 2jao s LEU 173 CO 0.33 -0.46 0.56 0.00 -0.29 0.00 0.00 176.35 176.50 2jao s ALA 174 N 1.13 3.45 0.06 5.97 0.00 -1.26 -5.06 121.76 126.05 2jao s ALA 174 Ca 0.58 -0.13 0.09 0.00 0.00 0.00 0.00 51.96 52.49 2jao s ALA 174 Cb -0.28 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 2jao s ALA 174 CO 0.29 -0.15 -0.25 -0.51 0.00 0.00 0.00 175.76 175.14 2jao s LEU 175 N 0.96 2.19 0.60 0.00 1.43 -1.26 -5.13 118.68 117.48 2jao s LEU 175 Ca 0.29 -0.60 -0.18 0.00 -1.03 0.00 0.00 54.13 52.61 2jao s LEU 175 Cb -0.16 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 2jao s LEU 175 CO 0.12 0.21 1.19 -2.84 0.23 0.00 0.00 176.35 175.27 2jao s PRO 176 N -1.36 2.93 0.59 1.29 0.02 -1.26 -4.90 135.00 132.30 2jao s PRO 176 Ca 0.11 1.77 0.29 0.00 0.02 0.00 0.00 61.00 63.19 2jao s PRO 176 Cb -0.10 -1.93 1.52 0.00 0.02 0.00 0.00 34.50 34.01 2jao s PRO 176 CO 0.03 -1.23 1.95 -1.00 -0.33 0.00 0.00 177.00 176.42 2jao h PRO 177 N 0.76 0.00 0.00 5.54 0.13 -2.05 -0.75 132.00 135.63 2jao h PRO 177 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2jao h PRO 177 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2jao h PRO 177 CO 0.55 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.11 2jao h THR 178 N 0.00 0.00 -3.54 1.56 1.35 -2.06 -3.43 112.91 106.80 2jao h THR 178 Ca 0.19 -0.28 -0.61 0.00 -0.55 0.00 0.00 66.41 65.16 2jao h THR 178 Cb 1.01 1.15 -0.12 0.00 -1.73 0.00 0.00 68.15 68.46 2jao h THR 178 CO -0.00 0.00 -0.13 -0.13 -0.25 0.00 0.00 175.52 175.01 2jao s ARG 179 N -3.67 4.13 0.08 4.72 1.81 -0.29 -5.07 118.95 120.67 2jao s ARG 179 Ca 0.00 0.25 -0.14 0.00 -1.72 0.00 0.00 55.73 54.12 2jao s ARG 179 Cb 0.10 -3.59 -0.06 0.00 -0.45 0.00 0.00 34.95 30.95 2jao s ARG 179 CO 0.44 -0.17 0.48 1.03 -0.68 0.00 0.00 175.30 176.40 2jao s ARG 180 N 1.72 3.95 0.07 3.54 0.52 -1.26 -4.90 118.95 122.59 2jao s ARG 180 Ca 0.20 0.44 0.07 0.00 -0.52 0.00 0.00 55.73 55.93 2jao s ARG 180 Cb -0.15 -3.07 -0.04 0.00 0.52 0.00 0.00 34.95 32.21 2jao s ARG 180 CO 0.09 0.58 -0.15 1.03 0.02 0.00 0.00 175.30 176.86 2jao s ARG 181 N -1.58 2.04 -0.26 3.54 0.52 -1.26 -1.07 118.95 120.89 2jao s ARG 181 Ca 0.32 -1.02 -0.07 0.00 -0.52 0.00 0.00 55.73 54.44 2jao s ARG 181 Cb -0.16 -2.22 -0.01 0.00 0.52 0.00 0.00 34.95 33.08 2jao s ARG 181 CO 0.17 0.52 0.05 -1.17 0.02 0.00 0.00 175.30 174.90 2jao s LEU 182 N -1.79 3.50 0.32 2.53 2.96 0.61 -4.87 118.68 121.94 2jao s LEU 182 Ca 0.17 -0.43 0.10 0.00 -0.22 0.00 0.00 54.13 53.75 2jao s LEU 182 Cb -0.11 -1.87 0.52 0.00 0.50 0.00 0.00 46.19 45.23 2jao s LEU 182 CO 0.08 -0.09 1.71 -0.07 -1.32 0.00 0.00 176.35 176.67 2jao h LEU 183 N 8.22 0.07 0.00 -0.68 3.38 -1.95 -1.66 115.31 122.68 2jao h LEU 183 Ca -0.36 -0.03 0.28 0.00 0.09 0.00 0.00 57.88 57.85 2jao h LEU 183 Cb 1.15 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 2jao h LEU 183 CO 0.59 0.53 0.75 -1.54 0.09 0.00 0.00 178.44 178.87 2jao n SER 184 N -3.97 -1.17 0.00 -0.43 3.41 -1.26 -4.48 113.62 105.72 2jao n SER 184 Ca -0.02 -1.34 0.07 0.00 -0.26 0.00 0.00 58.87 57.32 2jao n SER 184 Cb 0.50 1.84 0.34 0.00 -0.26 0.00 0.00 64.21 66.63 2jao n SER 184 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2jao n TRP 185 N -0.79 0.00 0.99 7.33 7.02 -1.26 -1.81 117.44 128.92 2jao n TRP 185 Ca 0.03 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.63 2jao n TRP 185 Cb 0.52 -0.35 0.33 0.00 -2.42 0.00 0.00 31.31 29.39 2jao n TRP 185 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2jao n SER 186 N -1.35 0.40 -4.85 -0.99 7.64 -1.26 -4.87 113.62 108.34 2jao n SER 186 Ca 0.06 -0.08 -0.30 0.00 1.01 0.00 0.00 58.87 59.55 2jao n SER 186 Cb 0.13 0.09 0.06 0.00 -1.01 0.00 0.00 64.21 63.47 2jao n SER 186 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jao s ASP 187 N -3.03 5.22 -1.37 6.43 2.15 -0.75 -4.93 116.67 120.39 2jao s ASP 187 Ca 0.12 1.29 -0.11 0.00 0.43 0.00 0.00 52.55 54.27 2jao s ASP 187 Cb 0.18 -2.11 0.10 0.00 -0.30 0.00 0.00 42.92 40.79 2jao s ASP 187 CO 0.66 -1.51 2.08 -3.20 -0.17 0.00 0.00 175.17 173.04 2jao n ASN 188 N -3.13 4.74 0.26 -0.34 5.15 -1.26 -4.71 115.26 115.97 2jao n ASN 188 Ca 0.07 -2.98 0.10 0.00 -0.60 0.00 0.00 54.58 51.17 2jao n ASN 188 Cb 0.56 -1.56 0.70 0.00 -0.53 0.00 0.00 39.78 38.95 2jao n ASN 188 CO 0.00 0.00 0.00 4.11 1.40 0.00 0.00 177.26 182.77 2jao h TRP 189 N 5.79 0.00 -0.49 1.20 5.08 -1.90 -2.60 115.95 123.04 2jao h TRP 189 Ca 0.49 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.46 2jao h TRP 189 Cb 0.61 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.75 2jao h TRP 189 CO 1.37 0.04 0.28 0.00 -1.28 0.00 0.00 178.44 178.85 2jao h ARG 190 N 0.00 0.67 -0.70 0.12 3.08 -1.99 -2.40 114.38 113.16 2jao h ARG 190 Ca -0.00 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 2jao h ARG 190 Cb 0.07 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 2jao h ARG 190 CO 0.00 0.51 0.32 0.78 -1.07 0.00 0.00 179.97 180.51 2jao h GLY 191 N 0.65 1.07 0.95 0.04 0.00 -1.87 -2.22 103.07 101.70 2jao h GLY 191 Ca 0.17 -0.53 0.02 0.00 0.00 0.00 0.00 47.33 46.99 2jao h GLY 191 CO -0.03 0.51 0.50 -2.22 0.00 0.00 0.00 176.54 175.29 2jao h ILE 192 N 0.99 1.16 -0.25 2.60 2.04 -1.34 -0.58 117.51 122.13 2jao h ILE 192 Ca 0.24 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2jao h ILE 192 Cb 0.13 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 2jao h ILE 192 CO -0.03 0.18 0.15 0.40 0.00 0.00 0.00 178.15 178.85 2jao h ILE 193 N 1.00 1.10 -0.85 -0.67 2.04 -1.20 -2.44 117.51 116.50 2jao h ILE 193 Ca 0.29 -0.24 0.07 0.00 1.00 0.00 0.00 64.86 65.99 2jao h ILE 193 Cb -0.06 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 2jao h ILE 193 CO -0.08 0.09 0.55 -0.33 0.00 0.00 0.00 178.15 178.38 2jao h GLU 194 N 0.31 0.88 -0.56 2.37 4.39 -1.15 -1.73 114.58 119.09 2jao h GLU 194 Ca 0.09 -0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.79 2jao h GLU 194 Cb 0.02 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.44 2jao h GLU 194 CO -0.02 0.58 0.37 0.66 -1.16 0.00 0.00 179.01 179.45 2jao h SER 195 N 0.91 0.49 0.19 1.42 4.64 -0.61 -2.39 113.55 118.19 2jao h SER 195 Ca 0.37 -0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.40 2jao h SER 195 Cb 0.27 -0.11 0.02 0.00 -0.31 0.00 0.00 62.40 62.28 2jao h SER 195 CO -0.14 0.32 -1.21 0.11 -0.87 0.00 0.00 176.83 175.04 2jao h LYS 196 N 0.56 0.58 -0.61 4.77 1.79 -1.21 -3.21 116.57 119.24 2jao h LYS 196 Ca 0.24 -0.76 0.04 0.00 -2.18 0.00 0.00 60.65 57.99 2jao h LYS 196 Cb 0.23 0.25 -0.04 0.00 -1.58 0.00 0.00 32.23 31.09 2jao h LYS 196 CO -0.07 1.34 0.41 -0.09 -1.08 0.00 0.00 179.45 179.96 2jao h ARG 197 N 0.26 0.66 0.00 3.15 2.43 -1.17 -2.47 114.38 117.24 2jao h ARG 197 Ca -0.17 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.95 2jao h ARG 197 Cb 1.88 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 31.28 2jao h ARG 197 CO 0.23 0.44 -0.04 0.00 -1.51 0.00 0.00 179.97 179.09 2jao h ALA 198 N 1.65 1.01 -0.02 2.80 0.00 -1.43 -3.46 119.26 119.81 2jao h ALA 198 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2jao h ALA 198 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jao h ALA 198 CO -0.07 0.05 0.00 0.43 0.00 0.00 0.00 179.25 179.66