#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1j s ASP 3 N 0.00 5.84 -0.29 -2.13 2.15 -1.26 -4.71 116.67 116.27 3i1j s ASP 3 Ca 0.00 -1.93 -0.16 0.00 0.43 0.00 0.00 52.55 50.89 3i1j s ASP 3 Cb 0.00 -2.06 0.12 0.00 -0.30 0.00 0.00 42.92 40.68 3i1j s ASP 3 CO 0.00 -0.72 0.83 -0.47 -0.17 0.00 0.00 175.17 174.64 3i1j s TYR 4 N 1.35 -0.84 -0.19 -5.34 5.04 -1.26 -5.06 117.35 111.05 3i1j s TYR 4 Ca 0.06 1.64 -0.01 0.00 -2.44 0.00 0.00 57.07 56.32 3i1j s TYR 4 Cb -0.26 0.50 0.00 0.00 0.35 0.00 0.00 41.96 42.55 3i1j s TYR 4 CO -0.00 -0.42 -0.12 -1.54 -1.34 0.00 0.00 175.55 172.13 3i1j s SER 5 N 1.63 3.75 0.08 4.32 1.04 -1.26 -4.65 113.70 118.61 3i1j s SER 5 Ca -0.09 -0.49 -0.22 0.00 0.48 0.00 0.00 55.95 55.62 3i1j s SER 5 Cb -0.05 -1.61 -0.07 0.00 0.10 0.00 0.00 66.02 64.40 3i1j s SER 5 CO -0.17 0.01 0.67 0.00 0.98 0.00 0.00 173.24 174.73 3i1j s ALA 6 N 1.24 3.49 0.41 5.32 0.00 -1.26 -5.05 121.76 125.90 3i1j s ALA 6 Ca 0.03 0.17 -0.25 0.00 0.00 0.00 0.00 51.96 51.91 3i1j s ALA 6 Cb -0.14 -2.81 -0.08 0.00 0.00 0.00 0.00 23.12 20.08 3i1j s ALA 6 CO -0.06 0.26 1.19 -1.01 0.00 0.00 0.00 175.76 176.14 3i1j s HIS 7 N -0.72 2.99 0.55 0.00 3.76 -1.26 -4.91 115.29 115.70 3i1j s HIS 7 Ca 0.33 1.53 0.38 0.00 -0.15 0.00 0.00 55.06 57.15 3i1j s HIS 7 Cb -0.20 -3.43 2.06 0.00 1.11 0.00 0.00 32.58 32.11 3i1j s HIS 7 CO 0.21 -1.47 2.16 -1.00 -0.85 0.00 0.00 174.74 173.79 3i1j h PRO 8 N 2.54 0.00 -0.18 8.40 0.13 -1.90 0.19 132.00 141.18 3i1j h PRO 8 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3i1j h PRO 8 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3i1j h PRO 8 CO 0.62 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.78 3i1j n GLU 9 N -2.91 2.42 -0.33 0.86 1.02 -1.26 -3.86 120.64 116.58 3i1j n GLU 9 Ca -0.03 -2.70 0.16 0.00 -0.02 0.00 0.00 57.16 54.58 3i1j n GLU 9 Cb 0.15 -1.69 0.36 0.00 -0.02 0.00 0.00 31.44 30.23 3i1j n GLU 9 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3i1j h LEU 10 N 1.22 0.53 -2.99 -4.62 5.85 -0.48 -2.29 115.31 112.54 3i1j h LEU 10 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3i1j h LEU 10 Cb 1.25 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3i1j h LEU 10 CO 0.14 0.05 0.00 0.18 -0.34 0.00 0.00 178.44 178.47 3i1j n LEU 11 N -4.96 3.77 -4.72 2.25 4.77 0.62 -4.70 117.00 114.04 3i1j n LEU 11 Ca 0.25 -2.27 -0.42 0.00 -0.03 0.00 0.00 56.01 53.53 3i1j n LEU 11 Cb 0.72 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 3i1j n LEU 11 CO 0.15 0.79 1.11 1.17 -1.33 0.00 0.00 177.39 179.28 3i1j n LYS 12 N 0.74 2.44 -0.87 3.23 4.81 -0.86 -1.65 118.16 126.00 3i1j n LYS 12 Ca 0.19 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.50 3i1j n LYS 12 Cb 0.66 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 33.14 3i1j n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i1j n GLY 13 N 1.64 0.97 3.83 3.14 0.00 -1.25 -4.94 105.19 108.57 3i1j n GLY 13 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 3i1j n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1j s ARG 14 N -0.12 3.32 -0.21 1.61 0.52 -0.66 -5.02 118.95 118.39 3i1j s ARG 14 Ca 0.00 -0.22 -0.04 0.00 -0.52 0.00 0.00 55.73 54.95 3i1j s ARG 14 Cb 0.00 -3.08 -0.01 0.00 0.52 0.00 0.00 34.95 32.38 3i1j s ARG 14 CO 0.00 0.75 -0.03 0.08 0.02 0.00 0.00 175.30 176.12 3i1j s VAL 15 N -1.01 3.57 -0.07 3.52 1.01 -1.26 -1.23 120.40 124.92 3i1j s VAL 15 Ca 0.15 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3i1j s VAL 15 Cb -0.12 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.66 3i1j s VAL 15 CO 0.05 0.43 -0.12 -0.63 0.00 0.00 0.00 175.10 174.82 3i1j s ILE 16 N 1.28 1.14 -0.16 2.22 1.01 -0.36 -0.25 121.20 126.08 3i1j s ILE 16 Ca 0.03 -0.47 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 3i1j s ILE 16 Cb -0.14 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 3i1j s ILE 16 CO -0.01 0.36 0.07 -0.22 0.00 0.00 0.00 174.94 175.14 3i1j s LEU 17 N 0.75 3.91 -0.13 2.97 0.20 -0.29 -0.93 118.68 125.16 3i1j s LEU 17 Ca -0.13 0.17 0.02 0.00 0.69 0.00 0.00 54.13 54.88 3i1j s LEU 17 Cb -0.16 -1.97 0.00 0.00 -0.43 0.00 0.00 46.19 43.64 3i1j s LEU 17 CO 0.03 0.25 -0.21 -0.69 -0.29 0.00 0.00 176.35 175.44 3i1j s VAL 18 N -0.07 2.26 0.13 1.68 1.01 -0.07 -0.40 120.40 124.93 3i1j s VAL 18 Ca 0.07 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 3i1j s VAL 18 Cb -0.12 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 3i1j s VAL 18 CO 0.01 0.54 0.31 0.42 0.00 0.00 0.00 175.10 176.38 3i1j s THR 19 N 0.63 5.28 -1.06 3.92 -4.23 -0.77 -1.64 115.64 117.76 3i1j s THR 19 Ca -0.11 -0.32 -0.07 0.00 -1.18 0.00 0.00 61.69 60.01 3i1j s THR 19 Cb -0.16 -3.67 0.01 0.00 1.34 0.00 0.00 72.50 70.01 3i1j s THR 19 CO 0.03 0.01 0.92 0.61 -0.54 0.00 0.00 174.62 175.65 3i1j n GLY 20 N -0.11 -0.22 0.06 3.99 0.00 -1.14 -3.22 105.19 104.54 3i1j n GLY 20 Ca -0.05 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.16 3i1j n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1j n ALA 21 N -4.43 3.03 -0.02 4.61 0.00 -1.16 -3.68 120.51 118.86 3i1j n ALA 21 Ca -0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 53.44 53.04 3i1j n ALA 21 Cb 0.55 -1.25 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 3i1j n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1j h ALA 22 N 3.23 0.14 -2.58 0.00 0.00 -1.83 -3.14 119.26 115.08 3i1j h ALA 22 Ca 0.00 -0.09 -0.42 0.00 0.00 0.00 0.00 54.91 54.40 3i1j h ALA 22 Cb 0.47 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.08 3i1j h ALA 22 CO 0.00 -0.27 -0.54 -0.98 0.00 0.00 0.00 179.25 177.46 3i1j s ARG 23 N -5.57 1.61 6.17 0.00 1.70 -1.26 -4.66 118.95 116.95 3i1j s ARG 23 Ca -0.14 -1.92 0.00 0.00 -0.47 0.00 0.00 55.73 53.20 3i1j s ARG 23 Cb 0.06 0.11 0.00 0.00 -0.57 0.00 0.00 34.95 34.55 3i1j s ARG 23 CO 0.69 -0.53 0.00 0.41 -1.08 0.00 0.00 175.30 174.79 3i1j n GLY 24 N -0.57 3.05 0.22 3.88 0.00 -1.26 -2.66 105.19 107.86 3i1j n GLY 24 Ca 0.03 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 3i1j n GLY 24 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i1j h ILE 25 N 0.00 1.23 -0.82 -0.61 2.04 -1.96 -2.66 117.51 114.73 3i1j h ILE 25 Ca 0.00 -0.79 0.08 0.00 1.00 0.00 0.00 64.86 65.15 3i1j h ILE 25 Cb 0.00 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 3i1j h ILE 25 CO 0.00 0.28 0.49 1.23 0.00 0.00 0.00 178.15 180.15 3i1j h GLY 26 N 0.60 1.26 1.06 5.37 0.00 -1.63 -0.78 103.07 108.95 3i1j h GLY 26 Ca 0.14 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 3i1j h GLY 26 CO -0.00 0.18 0.22 0.00 0.00 0.00 0.00 176.54 176.94 3i1j h ALA 27 N 1.43 0.98 -0.27 3.60 0.00 -1.30 -0.75 119.26 122.94 3i1j h ALA 27 Ca 0.38 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3i1j h ALA 27 Cb 0.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3i1j h ALA 27 CO -0.21 0.67 -0.26 0.00 0.00 0.00 0.00 179.25 179.45 3i1j h ALA 28 N 1.11 1.05 -0.20 0.00 0.00 -1.06 -1.97 119.26 118.19 3i1j h ALA 28 Ca 0.24 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3i1j h ALA 28 Cb 0.33 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3i1j h ALA 28 CO -0.00 0.58 -0.12 0.00 0.00 0.00 0.00 179.25 179.70 3i1j h ALA 29 N 1.26 0.28 -0.52 0.00 0.00 -0.79 -0.58 119.26 118.91 3i1j h ALA 29 Ca 0.07 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.72 3i1j h ALA 29 Cb 0.70 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 3i1j h ALA 29 CO 0.05 0.14 0.25 0.00 0.00 0.00 0.00 179.25 179.69 3i1j h ALA 30 N 0.68 0.66 -0.12 0.00 0.00 -1.06 0.80 119.26 120.22 3i1j h ALA 30 Ca 0.04 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3i1j h ALA 30 Cb 0.63 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3i1j h ALA 30 CO 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 179.25 179.16 3i1j h ARG 31 N 0.48 0.21 -0.29 0.00 3.08 -1.33 -1.65 114.38 114.88 3i1j h ARG 31 Ca 0.23 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.10 3i1j h ARG 31 Cb 0.17 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3i1j h ARG 31 CO -0.18 0.47 -0.27 0.00 -1.07 0.00 0.00 179.97 178.92 3i1j h ALA 32 N 0.73 0.98 -0.39 0.04 0.00 -0.93 0.59 119.26 120.28 3i1j h ALA 32 Ca 0.03 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 3i1j h ALA 32 Cb 0.38 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3i1j h ALA 32 CO 0.01 0.60 -0.05 1.88 0.00 0.00 0.00 179.25 181.69 3i1j h TYR 33 N 0.51 0.80 -0.72 0.00 0.05 -0.82 -2.27 116.97 114.51 3i1j h TYR 33 Ca 0.07 -0.16 -0.07 0.00 0.05 0.00 0.00 58.73 58.63 3i1j h TYR 33 Cb 0.74 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.25 3i1j h TYR 33 CO 0.03 0.83 0.20 0.00 -1.05 0.00 0.00 178.16 178.17 3i1j h ALA 34 N 0.86 0.95 0.00 3.88 0.00 -1.08 -2.31 119.26 121.57 3i1j h ALA 34 Ca 0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3i1j h ALA 34 Cb 0.54 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3i1j h ALA 34 CO 0.03 0.66 -0.00 0.00 0.00 0.00 0.00 179.25 179.94 3i1j h ALA 35 N 1.10 1.01 -0.41 0.00 0.00 -0.79 -2.83 119.26 117.33 3i1j h ALA 35 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3i1j h ALA 35 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3i1j h ALA 35 CO -0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 3i1j n HIS 36 N -3.10 1.22 0.00 0.00 -0.00 -0.86 -4.81 115.22 107.66 3i1j n HIS 36 Ca -0.02 -0.74 0.00 0.00 -0.00 0.00 0.00 57.72 56.96 3i1j n HIS 36 Cb 0.16 -0.30 0.00 0.00 -0.00 0.00 0.00 29.99 29.85 3i1j n HIS 36 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3i1j n GLY 37 N 0.19 0.36 3.76 -1.41 0.00 -1.07 -0.27 105.19 106.75 3i1j n GLY 37 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 3i1j n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1j s ALA 38 N -2.05 3.33 -0.11 4.61 0.00 -0.91 -3.88 121.76 122.75 3i1j s ALA 38 Ca 0.00 0.93 -0.25 0.00 0.00 0.00 0.00 51.96 52.64 3i1j s ALA 38 Cb 0.00 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 3i1j s ALA 38 CO 0.00 -0.30 0.81 -1.12 0.00 0.00 0.00 175.76 175.15 3i1j s SER 39 N -0.97 7.03 0.00 0.00 0.01 -0.37 -4.12 113.70 115.29 3i1j s SER 39 Ca 0.49 1.25 0.04 0.00 1.31 0.00 0.00 55.95 59.05 3i1j s SER 39 Cb -0.31 -2.46 -0.03 0.00 0.21 0.00 0.00 66.02 63.43 3i1j s SER 39 CO 0.40 -0.28 -0.12 0.68 0.41 0.00 0.00 173.24 174.33 3i1j s VAL 40 N 1.52 3.27 -0.18 3.43 -7.23 -1.26 -1.23 120.40 118.71 3i1j s VAL 40 Ca 0.40 -0.87 -0.02 0.00 -1.81 0.00 0.00 61.98 59.68 3i1j s VAL 40 Cb -0.18 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 3i1j s VAL 40 CO 0.17 0.43 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.60 3i1j s VAL 41 N -0.91 3.14 -0.19 1.32 1.01 -0.11 -1.94 120.40 122.72 3i1j s VAL 41 Ca 0.15 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 3i1j s VAL 41 Cb -0.11 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 3i1j s VAL 41 CO 0.05 0.48 -0.01 -0.76 0.00 0.00 0.00 175.10 174.86 3i1j s LEU 42 N 1.00 3.30 -0.08 3.92 1.43 0.14 -0.89 118.68 127.49 3i1j s LEU 42 Ca -0.01 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 3i1j s LEU 42 Cb -0.15 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 3i1j s LEU 42 CO -0.01 0.10 -0.07 -0.22 0.23 0.00 0.00 176.35 176.39 3i1j s LEU 43 N 0.76 3.15 0.07 1.79 2.96 -0.65 -0.31 118.68 126.45 3i1j s LEU 43 Ca -0.00 -0.06 -0.27 0.00 -0.22 0.00 0.00 54.13 53.58 3i1j s LEU 43 Cb -0.14 -1.70 0.09 0.00 0.50 0.00 0.00 46.19 44.94 3i1j s LEU 43 CO 0.02 0.32 1.14 -0.83 -1.32 0.00 0.00 176.35 175.69 3i1j s GLY 44 N -0.57 -0.24 0.11 7.98 0.00 -1.14 -2.88 107.32 110.57 3i1j s GLY 44 Ca 0.09 0.28 -0.14 0.00 0.00 0.00 0.00 44.72 44.95 3i1j s GLY 44 CO 0.02 0.99 1.43 3.21 0.00 0.00 0.00 173.10 178.75 3i1j h ARG 45 N 2.00 0.74 -4.77 2.90 3.08 -1.90 -0.93 114.38 115.51 3i1j h ARG 45 Ca -0.27 -0.39 -0.31 0.00 0.07 0.00 0.00 59.98 59.08 3i1j h ARG 45 Cb 1.21 0.01 -0.21 0.00 0.08 0.00 0.00 29.97 31.07 3i1j h ARG 45 CO 0.29 1.02 -0.74 0.95 -1.07 0.00 0.00 179.97 180.41 3i1j s THR 46 N -4.36 0.70 0.23 2.04 -4.23 -1.26 -4.10 115.64 104.65 3i1j s THR 46 Ca -0.12 -1.17 -0.07 0.00 -1.18 0.00 0.00 61.69 59.15 3i1j s THR 46 Cb 0.09 -0.77 0.19 0.00 1.34 0.00 0.00 72.50 73.35 3i1j s THR 46 CO 0.84 -0.36 1.74 -0.33 -0.54 0.00 0.00 174.62 175.97 3i1j h GLU 47 N 4.39 0.42 -0.72 3.99 5.08 -1.94 -2.42 114.58 123.38 3i1j h GLU 47 Ca -0.37 -0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.12 3i1j h GLU 47 Cb 1.20 -0.10 -0.11 0.00 0.50 0.00 0.00 28.75 30.24 3i1j h GLU 47 CO 0.41 0.28 0.15 0.00 -1.00 0.00 0.00 179.01 178.85 3i1j h ALA 48 N 1.49 0.89 0.00 3.43 0.00 -2.00 0.26 119.26 123.33 3i1j h ALA 48 Ca 0.37 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.41 3i1j h ALA 48 Cb 0.51 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3i1j h ALA 48 CO -0.36 -0.35 -0.16 0.66 0.00 0.00 0.00 179.25 179.04 3i1j h SER 49 N 0.25 0.00 0.03 0.00 4.64 -1.85 -2.69 113.55 113.93 3i1j h SER 49 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3i1j h SER 49 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3i1j h SER 49 CO -0.51 0.16 -0.09 0.18 -0.87 0.00 0.00 176.83 175.70 3i1j n LEU 50 N -4.23 1.76 -0.22 5.97 4.77 -0.01 -4.42 117.00 120.62 3i1j n LEU 50 Ca -0.02 -0.58 -0.08 0.00 -0.03 0.00 0.00 56.01 55.30 3i1j n LEU 50 Cb 0.23 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.33 3i1j n LEU 50 CO 0.35 0.30 0.95 0.00 -1.33 0.00 0.00 177.39 177.66 3i1j h ALA 51 N 4.25 0.79 0.05 -1.18 0.00 -0.96 -1.84 119.26 120.38 3i1j h ALA 51 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3i1j h ALA 51 Cb 0.63 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3i1j h ALA 51 CO 0.00 0.46 -0.03 1.49 0.00 0.00 0.00 179.25 181.18 3i1j h GLU 52 N 0.86 -0.07 -0.99 0.00 4.81 -1.77 -0.27 114.58 117.15 3i1j h GLU 52 Ca 0.19 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.46 3i1j h GLU 52 Cb 0.29 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.63 3i1j h GLU 52 CO -0.01 0.29 0.65 -0.24 -0.73 0.00 0.00 179.01 178.97 3i1j h VAL 53 N -0.43 1.19 -0.54 0.32 3.04 -1.82 0.31 116.25 118.32 3i1j h VAL 53 Ca -0.01 -0.44 -0.06 0.00 -1.01 0.00 0.00 66.70 65.18 3i1j h VAL 53 Cb 0.39 -0.19 -0.02 0.00 -2.01 0.00 0.00 31.29 29.45 3i1j h VAL 53 CO 0.01 0.23 0.10 -1.28 -1.01 0.00 0.00 177.57 175.62 3i1j h SER 54 N 1.27 0.85 -0.43 3.17 0.87 -1.31 -0.95 113.55 117.04 3i1j h SER 54 Ca 0.39 -0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 3i1j h SER 54 Cb -0.04 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 3i1j h SER 54 CO -0.11 0.89 0.16 0.44 -0.53 0.00 0.00 176.83 177.68 3i1j h ASP 55 N 0.78 0.64 -0.21 6.23 3.32 -0.40 -0.99 116.42 125.79 3i1j h ASP 55 Ca 0.17 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 3i1j h ASP 55 Cb 0.39 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3i1j h ASP 55 CO 0.01 0.60 0.06 1.56 -1.72 0.00 0.00 179.24 179.75 3i1j h GLN 56 N 0.69 0.34 -0.38 3.56 4.20 -0.45 0.57 115.11 123.62 3i1j h GLN 56 Ca 0.16 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 3i1j h GLN 56 Cb 0.19 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3i1j h GLN 56 CO -0.01 0.44 0.07 0.82 -0.67 0.00 0.00 178.83 179.47 3i1j h ILE 57 N 0.17 1.19 -0.10 2.54 2.04 -0.90 -1.93 117.51 120.52 3i1j h ILE 57 Ca 0.07 -0.69 -0.17 0.00 1.00 0.00 0.00 64.86 65.07 3i1j h ILE 57 Cb 0.24 0.82 0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3i1j h ILE 57 CO -0.00 0.25 -0.60 0.11 0.00 0.00 0.00 178.15 177.90 3i1j h LYS 58 N 0.56 0.58 -0.97 2.37 1.57 -1.09 -2.32 116.57 117.28 3i1j h LYS 58 Ca 0.13 -0.49 0.08 0.00 -1.87 0.00 0.00 60.65 58.49 3i1j h LYS 58 Cb 0.26 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.61 3i1j h LYS 58 CO 0.00 1.12 0.63 0.77 -0.57 0.00 0.00 179.45 181.39 3i1j h SER 59 N 0.20 0.97 0.47 0.86 0.02 -0.65 -0.30 113.55 115.11 3i1j h SER 59 Ca -0.05 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3i1j h SER 59 Cb 1.25 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.60 3i1j h SER 59 CO 0.12 0.60 0.00 0.00 -1.14 0.00 0.00 176.83 176.41 3i1j n ALA 60 N -2.37 1.52 0.00 3.77 0.00 -0.74 -4.89 120.51 117.80 3i1j n ALA 60 Ca 0.16 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3i1j n ALA 60 Cb 0.23 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3i1j n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1j n GLY 61 N -0.31 0.83 3.88 0.00 0.00 -0.12 -5.09 105.19 104.37 3i1j n GLY 61 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3i1j n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i1j s GLN 62 N -0.59 3.76 0.68 1.61 1.11 -0.88 -5.01 119.66 120.33 3i1j s GLN 62 Ca 0.00 0.16 -0.17 0.00 0.01 0.00 0.00 55.36 55.36 3i1j s GLN 62 Cb 0.00 -2.84 0.01 0.00 -1.01 0.00 0.00 33.01 29.17 3i1j s GLN 62 CO 0.00 0.45 1.27 -1.25 0.01 0.00 0.00 175.29 175.78 3i1j s PRO 63 N -2.40 2.38 -0.42 2.91 0.04 -1.26 -3.96 135.00 132.28 3i1j s PRO 63 Ca 0.40 2.00 -0.42 0.00 0.04 0.00 0.00 61.00 63.02 3i1j s PRO 63 Cb -0.13 -1.83 -0.17 0.00 0.04 0.00 0.00 34.50 32.41 3i1j s PRO 63 CO 0.21 -1.71 1.92 0.94 0.04 0.00 0.00 177.00 178.40 3i1j n GLN 64 N -2.17 0.47 -1.11 4.56 -0.06 -1.26 -4.85 117.38 112.95 3i1j n GLN 64 Ca 0.15 0.15 -0.34 0.00 -2.00 0.00 0.00 57.00 54.97 3i1j n GLN 64 Cb 0.49 -1.82 0.12 0.00 -4.06 0.00 0.00 30.24 24.97 3i1j n GLN 64 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 3i1j n PRO 65 N 6.23 0.17 -2.34 3.69 -0.04 -1.26 -4.91 135.00 136.54 3i1j n PRO 65 Ca 0.40 0.13 -0.42 0.00 -0.04 0.00 0.00 63.50 63.56 3i1j n PRO 65 Cb 0.04 -2.26 -0.03 0.00 -0.04 0.00 0.00 33.50 31.21 3i1j n PRO 65 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3i1j s LEU 66 N -4.10 4.28 -0.21 1.53 2.96 -0.82 -4.92 118.68 117.40 3i1j s LEU 66 Ca 0.70 1.93 -0.07 0.00 -0.22 0.00 0.00 54.13 56.47 3i1j s LEU 66 Cb -0.30 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.80 3i1j s LEU 66 CO 0.54 -0.68 0.06 -0.63 -1.32 0.00 0.00 176.35 174.31 3i1j s ILE 67 N 2.61 4.54 -0.08 6.68 1.09 -1.26 0.27 121.20 135.05 3i1j s ILE 67 Ca 0.60 -0.11 0.03 0.00 -1.10 0.00 0.00 60.65 60.06 3i1j s ILE 67 Cb -0.27 -3.08 0.01 0.00 -1.06 0.00 0.00 42.46 38.06 3i1j s ILE 67 CO 0.23 0.41 -0.15 -0.63 -0.10 0.00 0.00 174.94 174.69 3i1j s ILE 68 N 0.92 1.40 -0.16 2.92 1.01 0.58 -4.95 121.20 122.91 3i1j s ILE 68 Ca 0.04 -0.62 -0.07 0.00 0.00 0.00 0.00 60.65 59.99 3i1j s ILE 68 Cb -0.14 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 3i1j s ILE 68 CO 0.03 0.41 0.08 0.00 0.00 0.00 0.00 174.94 175.46 3i1j s ALA 69 N 0.63 3.52 -0.19 9.38 0.00 -1.26 -2.88 121.76 130.96 3i1j s ALA 69 Ca -0.15 -0.72 -0.15 0.00 0.00 0.00 0.00 51.96 50.94 3i1j s ALA 69 Cb -0.16 -1.91 0.05 0.00 0.00 0.00 0.00 23.12 21.11 3i1j s ALA 69 CO 0.04 0.32 0.49 -1.17 0.00 0.00 0.00 175.76 175.44 3i1j s LEU 70 N -0.08 -0.06 -0.61 0.00 2.96 -0.35 -4.97 118.68 115.57 3i1j s LEU 70 Ca 0.07 1.02 -0.20 0.00 -0.22 0.00 0.00 54.13 54.81 3i1j s LEU 70 Cb -0.12 1.66 0.10 0.00 0.50 0.00 0.00 46.19 48.33 3i1j s LEU 70 CO 0.01 -0.18 0.77 0.21 -1.32 0.00 0.00 176.35 175.83 3i1j s ASN 71 N 0.74 6.19 0.59 3.68 3.84 -1.26 -3.77 114.94 124.95 3i1j s ASN 71 Ca -0.04 -1.36 0.29 0.00 0.21 0.00 0.00 52.86 51.96 3i1j s ASN 71 Cb -0.05 -2.33 1.63 0.00 -0.55 0.00 0.00 41.25 39.95 3i1j s ASN 71 CO -0.05 -1.18 2.07 -0.07 -2.79 0.00 0.00 177.10 175.07 3i1j h LEU 72 N 10.26 0.00 -0.21 3.21 3.38 -1.94 0.75 115.31 130.75 3i1j h LEU 72 Ca -0.28 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 3i1j h LEU 72 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3i1j h LEU 72 CO 1.12 0.00 -0.24 -0.08 0.09 0.00 0.00 178.44 179.33 3i1j h GLU 73 N 0.00 0.00 0.00 1.13 4.81 -1.93 -3.36 114.58 115.23 3i1j h GLU 73 Ca 0.10 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 3i1j h GLU 73 Cb 0.59 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 3i1j h GLU 73 CO -0.00 0.24 -1.37 0.09 -0.73 0.00 0.00 179.01 177.23 3i1j n ASN 74 N -3.19 3.51 -4.76 1.04 4.13 -0.15 -4.95 115.26 110.90 3i1j n ASN 74 Ca 0.03 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.87 3i1j n ASN 74 Cb 0.59 0.88 -0.01 0.00 -1.54 0.00 0.00 39.78 39.70 3i1j n ASN 74 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i1j n ALA 75 N -2.05 2.30 -2.34 5.41 0.00 0.24 -5.00 120.51 119.08 3i1j n ALA 75 Ca -0.07 0.35 -0.21 0.00 0.00 0.00 0.00 53.44 53.51 3i1j n ALA 75 Cb 0.51 -2.41 0.01 0.00 0.00 0.00 0.00 19.45 17.55 3i1j n ALA 75 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3i1j s THR 76 N -0.77 3.89 0.27 0.00 -4.23 -1.26 -4.98 115.64 108.55 3i1j s THR 76 Ca 0.57 -0.71 -0.01 0.00 -1.18 0.00 0.00 61.69 60.36 3i1j s THR 76 Cb -0.49 -3.40 0.25 0.00 1.34 0.00 0.00 72.50 70.20 3i1j s THR 76 CO 0.59 -0.23 1.82 0.00 -0.54 0.00 0.00 174.62 176.26 3i1j h ALA 77 N 0.56 1.37 -0.79 3.99 0.00 -2.00 -0.36 119.26 122.02 3i1j h ALA 77 Ca -0.45 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.52 3i1j h ALA 77 Cb 1.26 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 3i1j h ALA 77 CO 0.55 0.16 0.50 0.37 0.00 0.00 0.00 179.25 180.83 3i1j h GLN 78 N 0.90 0.93 -0.85 0.00 5.75 -1.99 -0.87 115.11 118.98 3i1j h GLN 78 Ca 0.46 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.88 3i1j h GLN 78 Cb 0.44 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 3i1j h GLN 78 CO -0.26 0.62 0.46 1.96 -2.65 0.00 0.00 178.83 178.96 3i1j h GLN 79 N 0.96 1.17 -0.46 1.69 4.20 -1.46 0.37 115.11 121.58 3i1j h GLN 79 Ca 0.32 -0.13 -0.13 0.00 0.06 0.00 0.00 58.65 58.78 3i1j h GLN 79 Cb 0.05 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 3i1j h GLN 79 CO -0.13 0.86 -0.21 1.88 -0.67 0.00 0.00 178.83 180.56 3i1j h TYR 80 N 1.18 1.07 -0.57 2.96 -1.99 -0.98 -0.54 116.97 118.10 3i1j h TYR 80 Ca 0.30 -0.25 0.03 0.00 2.00 0.00 0.00 58.73 60.80 3i1j h TYR 80 Cb 0.02 -0.25 -0.04 0.00 2.00 0.00 0.00 36.73 38.46 3i1j h TYR 80 CO 0.01 1.05 0.34 0.00 -0.00 0.00 0.00 178.16 179.56 3i1j h ARG 81 N 0.81 0.66 -0.68 4.88 3.08 -0.69 -1.29 114.38 121.14 3i1j h ARG 81 Ca 0.11 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3i1j h ARG 81 Cb 0.77 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 3i1j h ARG 81 CO 0.06 0.43 0.36 1.05 -1.07 0.00 0.00 179.97 180.80 3i1j h GLU 82 N 0.67 0.96 -0.43 0.04 4.11 -0.75 -1.62 114.58 117.57 3i1j h GLU 82 Ca 0.23 -0.12 0.01 0.00 0.07 0.00 0.00 59.36 59.55 3i1j h GLU 82 Cb 0.03 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 3i1j h GLU 82 CO -0.10 0.74 0.27 1.25 0.07 0.00 0.00 179.01 181.23 3i1j h LEU 83 N 0.94 0.44 -0.68 3.06 6.46 -0.60 -1.51 115.31 123.42 3i1j h LEU 83 Ca 0.24 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.99 3i1j h LEU 83 Cb 0.07 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 39.87 3i1j h LEU 83 CO -0.04 0.32 0.39 0.00 -0.62 0.00 0.00 178.44 178.49 3i1j h ALA 84 N 1.18 0.88 -0.30 1.25 0.00 -1.01 -2.35 119.26 118.90 3i1j h ALA 84 Ca 0.17 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3i1j h ALA 84 Cb -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3i1j h ALA 84 CO -0.06 0.38 -0.04 0.00 0.00 0.00 0.00 179.25 179.53 3i1j h ALA 85 N 1.19 1.37 -0.44 0.00 0.00 -1.06 0.58 119.26 120.89 3i1j h ALA 85 Ca 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3i1j h ALA 85 Cb 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3i1j h ALA 85 CO -0.04 0.44 0.22 -0.09 0.00 0.00 0.00 179.25 179.78 3i1j h ARG 86 N 0.46 0.63 -0.57 0.00 9.65 -0.99 0.93 114.38 124.49 3i1j h ARG 86 Ca 0.10 -0.09 -0.10 0.00 -1.10 0.00 0.00 59.98 58.79 3i1j h ARG 86 Cb 0.36 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 3i1j h ARG 86 CO 0.02 0.53 -0.05 0.28 2.80 0.00 0.00 179.97 183.54 3i1j h VAL 87 N 0.57 1.27 -0.32 0.20 2.07 -0.87 -1.93 116.25 117.23 3i1j h VAL 87 Ca 0.15 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 3i1j h VAL 87 Cb 0.09 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3i1j h VAL 87 CO -0.02 0.43 0.20 -0.08 0.02 0.00 0.00 177.57 178.12 3i1j h GLU 88 N 0.92 0.44 -0.66 1.57 4.81 -0.83 -0.21 114.58 120.62 3i1j h GLU 88 Ca 0.15 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3i1j h GLU 88 Cb 0.62 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 3i1j h GLU 88 CO 0.04 0.33 0.44 1.25 -0.73 0.00 0.00 179.01 180.34 3i1j h HIS 89 N 0.42 0.81 0.02 0.92 2.76 -0.58 0.93 115.15 120.44 3i1j h HIS 89 Ca 0.12 0.02 -0.28 0.00 -2.20 0.00 0.00 60.37 58.02 3i1j h HIS 89 Cb 0.00 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 28.65 3i1j h HIS 89 CO -0.04 0.50 -1.57 0.93 -1.30 0.00 0.00 177.93 176.45 3i1j h GLU 90 N 0.87 0.05 0.00 5.26 4.39 -1.20 -3.43 114.58 120.52 3i1j h GLU 90 Ca 0.25 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.86 3i1j h GLU 90 Cb -0.07 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 3i1j h GLU 90 CO -0.06 0.72 -0.42 1.19 -1.16 0.00 0.00 179.01 179.28 3i1j n PHE 91 N -3.19 0.00 -0.52 4.33 3.01 -0.11 -5.01 117.46 115.97 3i1j n PHE 91 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.31 3i1j n PHE 91 Cb 1.03 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.50 3i1j n PHE 91 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i1j n GLY 92 N 1.19 0.22 3.27 1.37 0.00 0.31 -4.88 105.19 106.67 3i1j n GLY 92 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3i1j n GLY 92 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i1j s ARG 93 N -0.73 0.85 -0.05 1.61 1.70 -1.26 -4.98 118.95 116.08 3i1j s ARG 93 Ca 0.00 -0.47 0.01 0.00 -0.47 0.00 0.00 55.73 54.79 3i1j s ARG 93 Cb 0.00 0.37 0.02 0.00 -0.57 0.00 0.00 34.95 34.77 3i1j s ARG 93 CO 0.00 -0.28 -0.04 -1.17 -1.08 0.00 0.00 175.30 172.73 3i1j s LEU 94 N -2.07 1.25 -0.02 -1.89 2.96 -1.23 -4.84 118.68 112.84 3i1j s LEU 94 Ca -0.05 -0.13 0.14 0.00 -0.22 0.00 0.00 54.13 53.87 3i1j s LEU 94 Cb -0.01 -0.47 -0.22 0.00 0.50 0.00 0.00 46.19 45.99 3i1j s LEU 94 CO -0.03 -0.07 0.32 0.47 -1.32 0.00 0.00 176.35 175.71 3i1j n ASP 95 N 4.19 1.74 -3.86 3.68 8.00 0.66 -3.88 116.55 127.08 3i1j n ASP 95 Ca -0.22 -0.01 -0.11 0.00 0.71 0.00 0.00 54.79 55.15 3i1j n ASP 95 Cb 0.51 1.64 -0.11 0.00 -0.02 0.00 0.00 41.12 43.14 3i1j n ASP 95 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3i1j s GLY 96 N -3.61 -0.00 -0.13 0.44 0.00 -0.30 -0.73 107.32 102.98 3i1j s GLY 96 Ca -0.05 0.05 -0.04 0.00 0.00 0.00 0.00 44.72 44.68 3i1j s GLY 96 CO 0.59 -0.06 0.11 -2.27 0.00 0.00 0.00 173.10 171.47 3i1j s LEU 97 N -0.87 0.17 -0.33 0.66 0.20 -0.11 -1.14 118.68 117.26 3i1j s LEU 97 Ca -0.10 -0.24 -0.08 0.00 0.69 0.00 0.00 54.13 54.41 3i1j s LEU 97 Cb -0.05 -0.06 0.02 0.00 -0.43 0.00 0.00 46.19 45.67 3i1j s LEU 97 CO 0.01 -0.31 0.12 -0.22 -0.29 0.00 0.00 176.35 175.67 3i1j s LEU 98 N 2.20 4.21 -0.77 -0.68 2.96 0.46 -0.61 118.68 126.44 3i1j s LEU 98 Ca 0.04 -0.89 -0.21 0.00 -0.22 0.00 0.00 54.13 52.84 3i1j s LEU 98 Cb -0.14 -1.92 0.09 0.00 0.50 0.00 0.00 46.19 44.72 3i1j s LEU 98 CO -0.07 -0.28 1.04 -1.00 -1.32 0.00 0.00 176.35 174.72 3i1j s HIS 99 N 1.49 2.84 -0.13 5.38 3.76 0.38 -1.85 115.29 127.16 3i1j s HIS 99 Ca 0.01 -0.88 0.09 0.00 -0.15 0.00 0.00 55.06 54.14 3i1j s HIS 99 Cb -0.18 -4.30 -0.15 0.00 1.11 0.00 0.00 32.58 29.06 3i1j s HIS 99 CO 0.04 -1.60 0.01 -1.71 -0.85 0.00 0.00 174.74 170.63 3i1j n ASN 100 N 7.31 2.07 -4.77 1.40 5.15 -1.23 -1.78 115.26 123.41 3i1j n ASN 100 Ca 0.08 -0.01 -0.40 0.00 -0.60 0.00 0.00 54.58 53.64 3i1j n ASN 100 Cb 0.47 0.62 -0.01 0.00 -0.53 0.00 0.00 39.78 40.33 3i1j n ASN 100 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i1j s ALA 101 N -2.30 3.38 -0.13 5.20 0.00 -1.20 -4.87 121.76 121.84 3i1j s ALA 101 Ca -0.09 1.26 -0.33 0.00 0.00 0.00 0.00 51.96 52.80 3i1j s ALA 101 Cb 0.04 -3.49 0.13 0.00 0.00 0.00 0.00 23.12 19.80 3i1j s ALA 101 CO 0.49 -0.75 1.17 -1.54 0.00 0.00 0.00 175.76 175.13 3i1j s SER 102 N -0.60 -0.16 0.17 0.00 1.04 -1.26 -4.89 113.70 108.00 3i1j s SER 102 Ca 0.53 -0.03 0.10 0.00 0.48 0.00 0.00 55.95 57.03 3i1j s SER 102 Cb -0.39 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.87 3i1j s SER 102 CO 0.51 -0.31 -0.17 0.27 0.98 0.00 0.00 173.24 174.52 3i1j s ILE 103 N -2.53 2.78 -0.05 -1.02 -4.36 -1.26 -5.06 121.20 109.70 3i1j s ILE 103 Ca 0.10 -1.77 -0.03 0.00 -0.26 0.00 0.00 60.65 58.68 3i1j s ILE 103 Cb -0.00 -2.34 -0.27 0.00 1.25 0.00 0.00 42.46 41.10 3i1j s ILE 103 CO -0.05 -0.06 0.66 0.40 0.24 0.00 0.00 174.94 176.12 3i1j h ILE 104 N 3.11 0.92 -1.21 8.37 2.04 -1.99 -3.46 117.51 125.29 3i1j h ILE 104 Ca -0.47 -2.60 0.07 0.00 1.00 0.00 0.00 64.86 62.86 3i1j h ILE 104 Cb 1.20 2.64 -0.02 0.00 -0.74 0.00 0.00 36.82 39.90 3i1j h ILE 104 CO 0.50 0.80 -0.09 0.61 0.00 0.00 0.00 178.15 179.97 3i1j n GLY 105 N 1.78 -1.72 3.77 5.37 0.00 -1.26 -3.87 105.19 109.26 3i1j n GLY 105 Ca -0.22 -1.26 -0.40 0.00 0.00 0.00 0.00 46.02 44.13 3i1j n GLY 105 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i1j s PRO 106 N -0.58 3.78 -1.08 1.61 0.02 -1.26 -4.95 135.00 132.54 3i1j s PRO 106 Ca 0.00 2.44 -0.09 0.00 0.02 0.00 0.00 61.00 63.37 3i1j s PRO 106 Cb 0.00 -2.72 0.27 0.00 0.02 0.00 0.00 34.50 32.07 3i1j s PRO 106 CO 0.00 -0.75 1.07 1.03 -0.33 0.00 0.00 177.00 178.01 3i1j s ARG 107 N -2.37 4.11 0.10 5.54 1.81 -1.26 -4.30 118.95 122.57 3i1j s ARG 107 Ca 0.59 -3.17 0.02 0.00 -1.72 0.00 0.00 55.73 51.46 3i1j s ARG 107 Cb -0.44 -4.51 -0.04 0.00 -0.45 0.00 0.00 34.95 29.50 3i1j s ARG 107 CO 0.57 -1.25 -0.07 0.95 -0.68 0.00 0.00 175.30 174.82 3i1j s THR 108 N -1.17 0.78 0.71 0.02 -4.23 -1.25 -4.96 115.64 105.55 3i1j s THR 108 Ca 0.30 -1.91 -0.16 0.00 -1.18 0.00 0.00 61.69 58.74 3i1j s THR 108 Cb -0.10 -1.65 0.01 0.00 1.34 0.00 0.00 72.50 72.10 3i1j s THR 108 CO -0.08 -0.82 1.08 -2.65 -0.54 0.00 0.00 174.62 171.61 3i1j n PRO 109 N 0.02 0.64 -0.35 3.99 -0.02 -1.26 -3.95 135.00 134.08 3i1j n PRO 109 Ca -0.12 0.28 0.07 0.00 -2.02 0.00 0.00 63.50 61.71 3i1j n PRO 109 Cb 0.60 -2.32 0.25 0.00 -0.02 0.00 0.00 33.50 32.01 3i1j n PRO 109 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3i1j h LEU 110 N -0.09 0.90 -1.24 2.45 3.38 -1.95 -1.19 115.31 117.58 3i1j h LEU 110 Ca -0.48 0.04 0.14 0.00 0.09 0.00 0.00 57.88 57.67 3i1j h LEU 110 Cb 1.33 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.87 3i1j h LEU 110 CO 0.49 0.49 0.58 -0.08 0.09 0.00 0.00 178.44 180.00 3i1j h GLU 111 N 0.97 0.73 -0.10 1.13 4.81 -2.04 -2.26 114.58 117.82 3i1j h GLU 111 Ca 0.48 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 3i1j h GLU 111 Cb 0.48 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3i1j h GLU 111 CO -0.25 0.48 0.00 1.04 -0.73 0.00 0.00 179.01 179.56 3i1j n GLN 112 N -4.57 2.11 -2.86 1.92 6.02 -0.48 -4.90 117.38 114.61 3i1j n GLN 112 Ca 0.17 -1.63 -0.42 0.00 -0.01 0.00 0.00 57.00 55.12 3i1j n GLN 112 Cb 0.44 -1.47 -0.04 0.00 1.02 0.00 0.00 30.24 30.19 3i1j n GLN 112 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3i1j s LEU 113 N -1.87 4.07 0.43 1.08 2.96 -0.85 -4.94 118.68 119.55 3i1j s LEU 113 Ca 0.33 0.94 -0.25 0.00 -0.22 0.00 0.00 54.13 54.93 3i1j s LEU 113 Cb 0.20 -3.22 -0.10 0.00 0.50 0.00 0.00 46.19 43.58 3i1j s LEU 113 CO 0.31 -0.61 1.18 -2.65 -1.32 0.00 0.00 176.35 173.26 3i1j n PRO 114 N 6.21 1.69 -0.35 0.98 -0.02 -1.26 -4.84 135.00 137.40 3i1j n PRO 114 Ca 0.06 0.60 0.07 0.00 -2.02 0.00 0.00 63.50 62.22 3i1j n PRO 114 Cb 0.48 -2.27 0.24 0.00 -0.02 0.00 0.00 33.50 31.93 3i1j n PRO 114 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3i1j h ASP 115 N 1.82 0.88 -0.08 2.55 3.32 -1.97 -2.07 116.42 120.87 3i1j h ASP 115 Ca -0.47 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 56.54 3i1j h ASP 115 Cb 1.31 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 3i1j h ASP 115 CO 0.58 0.45 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.98 3i1j h GLU 116 N 0.94 0.51 -0.29 3.56 3.07 -2.04 -2.86 114.58 117.47 3i1j h GLU 116 Ca 0.49 -0.19 -0.07 0.00 -0.50 0.00 0.00 59.36 59.09 3i1j h GLU 116 Cb 0.52 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 3i1j h GLU 116 CO -0.28 0.72 -0.07 -0.44 -1.40 0.00 0.00 179.01 177.54 3i1j h ASP 117 N 0.45 0.57 0.00 1.42 3.32 -1.76 -0.96 116.42 119.47 3i1j h ASP 117 Ca 0.07 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3i1j h ASP 117 Cb 0.67 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3i1j h ASP 117 CO 0.05 0.81 0.00 0.33 -1.72 0.00 0.00 179.24 178.71 3i1j n PHE 118 N -4.49 0.00 0.00 4.55 7.35 -0.87 -1.58 117.46 122.42 3i1j n PHE 118 Ca -0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 3i1j n PHE 118 Cb 0.32 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 40.13 3i1j n PHE 118 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 3i1j n GLN 120 N 0.56 0.00 0.00 -4.13 7.27 -0.36 -4.62 117.38 116.10 3i1j n GLN 120 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3i1j n GLN 120 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3i1j n GLN 120 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3i1j n VAL 121 N 0.00 0.00 0.00 1.69 0.31 -0.61 -0.70 118.33 119.02 3i1j n VAL 121 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i1j n VAL 121 Cb 0.00 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 3i1j n VAL 121 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 3i1j n HIS 123 N 0.65 0.00 -0.17 3.52 -0.00 -1.26 -0.65 115.22 117.31 3i1j n HIS 123 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 3i1j n HIS 123 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3i1j n HIS 123 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3i1j h VAL 124 N 0.00 1.27 0.00 3.57 2.07 -1.17 0.62 116.25 122.60 3i1j h VAL 124 Ca 0.00 -1.14 -0.26 0.00 0.82 0.00 0.00 66.70 66.12 3i1j h VAL 124 Cb 0.00 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3i1j h VAL 124 CO 0.00 0.40 -1.40 0.78 0.02 0.00 0.00 177.57 177.36 3i1j h ASN 125 N 0.74 0.00 0.00 0.57 4.21 -1.12 -3.37 115.58 116.61 3i1j h ASN 125 Ca 0.13 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.61 3i1j h ASN 125 Cb 0.57 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.77 3i1j h ASN 125 CO 0.03 0.99 -0.56 0.52 -1.29 0.00 0.00 177.43 177.13 3i1j n VAL 126 N -3.17 1.15 0.08 2.81 0.31 -1.24 -4.35 118.33 113.93 3i1j n VAL 126 Ca -0.10 0.23 -0.13 0.00 -0.01 0.00 0.00 64.34 64.34 3i1j n VAL 126 Cb 1.00 -1.79 -0.07 0.00 -0.91 0.00 0.00 33.84 32.07 3i1j n VAL 126 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3i1j h ASN 127 N -0.32 -0.12 -0.81 4.52 2.35 -1.73 0.25 115.58 119.72 3i1j h ASN 127 Ca -0.05 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.74 3i1j h ASN 127 Cb 0.50 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.85 3i1j h ASN 127 CO -0.03 -0.08 0.52 0.00 -1.65 0.00 0.00 177.43 176.19 3i1j h ALA 128 N 0.78 1.07 -0.05 -0.83 0.00 -1.05 -2.94 119.26 116.24 3i1j h ALA 128 Ca -0.01 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3i1j h ALA 128 Cb 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3i1j h ALA 128 CO 0.01 0.35 -0.01 1.15 0.00 0.00 0.00 179.25 180.76 3i1j h THR 129 N 1.02 0.96 0.00 0.00 2.02 -1.66 0.11 112.91 115.36 3i1j h THR 129 Ca 0.32 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.50 3i1j h THR 129 Cb -0.00 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3i1j h THR 129 CO -0.11 0.00 0.00 0.33 0.37 0.00 0.00 175.52 176.11 3i1j n PHE 130 N -5.11 0.00 0.00 3.16 7.35 0.06 -1.67 117.46 121.25 3i1j n PHE 130 Ca -0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.63 3i1j n PHE 130 Cb 0.05 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 39.87 3i1j n PHE 130 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3i1j n LEU 132 N 0.48 0.00 -0.13 -2.13 7.94 0.02 -1.00 117.00 122.18 3i1j n LEU 132 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 3i1j n LEU 132 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 3i1j n LEU 132 CO 0.00 0.00 0.91 0.74 -1.11 0.00 0.00 177.39 177.93 3i1j h THR 133 N 0.00 1.20 -0.32 1.96 2.02 -1.56 -2.28 112.91 113.92 3i1j h THR 133 Ca 0.00 -0.63 0.03 0.00 0.77 0.00 0.00 66.41 66.57 3i1j h THR 133 Cb 0.00 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 3i1j h THR 133 CO 0.00 0.23 0.14 -0.09 0.37 0.00 0.00 175.52 176.17 3i1j h ARG 134 N 0.49 0.29 -0.58 6.66 2.43 -1.33 0.84 114.38 123.18 3i1j h ARG 134 Ca 0.13 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3i1j h ARG 134 Cb 0.21 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 3i1j h ARG 134 CO -0.01 0.19 0.32 0.00 -1.51 0.00 0.00 179.97 178.96 3i1j h ALA 135 N 1.19 1.47 0.00 2.80 0.00 -1.78 -3.00 119.26 119.93 3i1j h ALA 135 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i1j h ALA 135 Cb 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3i1j h ALA 135 CO -0.12 0.44 -0.76 1.28 0.00 0.00 0.00 179.25 180.10 3i1j n LEU 136 N -4.39 0.62 -0.31 0.00 4.77 -0.87 -4.43 117.00 112.38 3i1j n LEU 136 Ca 0.05 0.03 -0.05 0.00 -0.03 0.00 0.00 56.01 56.02 3i1j n LEU 136 Cb 0.10 -0.16 0.08 0.00 -2.33 0.00 0.00 43.42 41.11 3i1j n LEU 136 CO 0.37 0.05 1.12 -0.07 -1.33 0.00 0.00 177.39 177.53 3i1j h LEU 137 N 0.00 1.12 -0.94 2.23 3.38 -0.69 -1.45 115.31 118.96 3i1j h LEU 137 Ca 0.00 -0.13 0.13 0.00 0.09 0.00 0.00 57.88 57.97 3i1j h LEU 137 Cb 0.65 -0.29 -0.09 0.00 0.09 0.00 0.00 40.66 41.03 3i1j h LEU 137 CO 0.00 0.94 0.56 -0.65 0.09 0.00 0.00 178.44 179.37 3i1j h PRO 138 N 1.22 0.82 -0.28 1.13 0.11 -1.77 0.63 132.00 133.85 3i1j h PRO 138 Ca 0.30 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.28 3i1j h PRO 138 Cb 0.11 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 3i1j h PRO 138 CO -0.04 0.54 -0.12 -0.07 -0.21 0.00 0.00 178.00 178.10 3i1j h LEU 139 N 0.84 0.60 -1.17 2.35 3.38 -1.62 -2.73 115.31 116.96 3i1j h LEU 139 Ca 0.49 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3i1j h LEU 139 Cb 0.57 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3i1j h LEU 139 CO -0.30 0.87 0.14 -0.07 0.09 0.00 0.00 178.44 179.17 3i1j h LEU 140 N 0.33 0.67 -0.44 1.67 3.38 -1.03 -2.61 115.31 117.27 3i1j h LEU 140 Ca 0.06 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3i1j h LEU 140 Cb 0.64 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3i1j h LEU 140 CO 0.04 0.65 0.00 0.29 0.09 0.00 0.00 178.44 179.51 3i1j n LYS 141 N -4.31 0.20 0.11 1.13 5.02 0.19 -2.24 118.16 118.26 3i1j n LYS 141 Ca 0.04 0.34 -0.02 0.00 -2.02 0.00 0.00 58.31 56.65 3i1j n LYS 141 Cb 0.20 -1.83 0.01 0.00 -0.02 0.00 0.00 35.03 33.39 3i1j n LYS 141 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1j h ARG 142 N 0.00 0.00 -7.02 1.97 3.08 -1.16 -3.46 114.38 107.79 3i1j h ARG 142 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3i1j h ARG 142 Cb 0.48 0.00 0.16 0.00 0.08 0.00 0.00 29.97 30.68 3i1j h ARG 142 CO 0.00 0.72 0.41 0.45 -1.07 0.00 0.00 179.97 180.48 3i1j n SER 143 N -3.37 1.77 0.18 7.04 2.88 -0.95 -4.94 113.62 116.23 3i1j n SER 143 Ca 0.01 0.84 0.04 0.00 -1.33 0.00 0.00 58.87 58.42 3i1j n SER 143 Cb 0.79 -1.51 0.30 0.00 -0.75 0.00 0.00 64.21 63.04 3i1j n SER 143 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3i1j h GLU 144 N 0.62 0.00 -0.99 -1.46 3.07 -1.91 -3.43 114.58 110.49 3i1j h GLU 144 Ca -0.50 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.39 3i1j h GLU 144 Cb 1.34 0.00 -0.21 0.00 -0.84 0.00 0.00 28.75 29.04 3i1j h GLU 144 CO 0.53 0.43 -0.38 0.34 -1.40 0.00 0.00 179.01 178.54 3i1j s ASP 145 N -6.58 -1.62 0.13 1.42 2.15 -1.26 -4.88 116.67 106.03 3i1j s ASP 145 Ca -0.01 0.16 0.10 0.00 0.43 0.00 0.00 52.55 53.23 3i1j s ASP 145 Cb 0.12 2.03 -0.04 0.00 -0.30 0.00 0.00 42.92 44.72 3i1j s ASP 145 CO 0.71 -0.29 -0.20 0.00 -0.17 0.00 0.00 175.17 175.21 3i1j s ALA 146 N 2.81 2.62 -0.03 3.66 0.00 -0.69 -4.85 121.76 125.27 3i1j s ALA 146 Ca 0.10 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 50.67 3i1j s ALA 146 Cb -0.10 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.46 3i1j s ALA 146 CO -0.25 0.57 -0.04 0.45 0.00 0.00 0.00 175.76 176.48 3i1j s SER 147 N -2.19 0.80 -0.20 0.00 0.15 0.10 -1.09 113.70 111.27 3i1j s SER 147 Ca 0.18 -0.11 -0.03 0.00 0.70 0.00 0.00 55.95 56.69 3i1j s SER 147 Cb -0.10 -0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 63.84 3i1j s SER 147 CO 0.09 -0.04 -0.06 -0.63 1.20 0.00 0.00 173.24 173.80 3i1j s ILE 148 N 0.76 3.35 -0.17 6.45 1.01 0.58 -0.94 121.20 132.24 3i1j s ILE 148 Ca -0.10 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.04 3i1j s ILE 148 Cb -0.13 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.85 3i1j s ILE 148 CO -0.00 0.45 -0.16 0.00 0.00 0.00 0.00 174.94 175.23 3i1j s ALA 149 N 1.14 2.45 -0.08 9.38 0.00 0.22 -1.44 121.76 133.43 3i1j s ALA 149 Ca 0.02 -1.11 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 3i1j s ALA 149 Cb -0.15 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 3i1j s ALA 149 CO -0.01 -0.15 0.19 -0.06 0.00 0.00 0.00 175.76 175.73 3i1j s PHE 150 N 1.00 3.61 -0.16 0.00 0.08 -0.16 -0.47 117.98 121.88 3i1j s PHE 150 Ca -0.02 0.56 -0.18 0.00 0.12 0.00 0.00 56.93 57.41 3i1j s PHE 150 Cb -0.15 -1.97 -0.04 0.00 -0.57 0.00 0.00 43.02 40.30 3i1j s PHE 150 CO -0.04 0.70 0.50 0.99 -0.10 0.00 0.00 175.22 177.28 3i1j s THR 151 N -1.10 5.14 0.00 0.64 2.01 -0.73 -0.48 115.64 121.11 3i1j s THR 151 Ca 0.19 0.96 0.00 0.00 0.31 0.00 0.00 61.69 63.14 3i1j s THR 151 Cb -0.13 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.55 3i1j s THR 151 CO 0.08 0.24 0.00 -0.24 -0.69 0.00 0.00 174.62 174.01 3i1j n SER 152 N 4.29 0.10 -3.54 3.53 2.88 -0.49 -4.92 113.62 115.47 3i1j n SER 152 Ca -0.06 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.39 3i1j n SER 152 Cb 0.51 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.93 3i1j n SER 152 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3i1j s SER 153 N 0.36 -0.37 0.39 -3.46 0.15 -1.26 -4.53 113.70 104.98 3i1j s SER 153 Ca 0.00 0.21 0.11 0.00 0.70 0.00 0.00 55.95 56.98 3i1j s SER 153 Cb 0.00 0.34 0.92 0.00 -1.71 0.00 0.00 66.02 65.57 3i1j s SER 153 CO 0.00 -0.48 1.92 0.77 1.20 0.00 0.00 173.24 176.66 3i1j h SER 154 N 2.30 0.52 1.13 5.45 4.64 -1.98 -0.98 113.55 124.63 3i1j h SER 154 Ca -0.20 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3i1j h SER 154 Cb 1.20 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3i1j h SER 154 CO 0.31 0.29 0.00 1.33 -0.87 0.00 0.00 176.83 177.89 3i1j n VAL 155 N -4.50 0.49 1.52 0.95 0.24 -1.26 -0.32 118.33 115.45 3i1j n VAL 155 Ca 0.14 -0.07 0.15 0.00 -2.04 0.00 0.00 64.34 62.51 3i1j n VAL 155 Cb 0.42 -0.68 0.78 0.00 -1.47 0.00 0.00 33.84 32.89 3i1j n VAL 155 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i1j n GLY 156 N 1.05 -1.23 0.00 7.63 0.00 -0.38 -4.09 105.19 108.17 3i1j n GLY 156 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3i1j n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1j n ARG 157 N -1.23 2.96 -3.64 1.61 1.74 -0.15 -3.46 116.66 114.50 3i1j n ARG 157 Ca 0.16 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 57.02 3i1j n ARG 157 Cb 0.22 -0.95 -0.17 0.00 -1.02 0.00 0.00 32.46 30.54 3i1j n ARG 157 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3i1j s LYS 158 N -1.89 -0.01 0.28 5.56 2.20 0.57 -5.11 119.74 121.34 3i1j s LYS 158 Ca 0.00 0.22 -0.30 0.00 -0.36 0.00 0.00 55.97 55.53 3i1j s LYS 158 Cb 0.00 -1.00 -0.11 0.00 -1.51 0.00 0.00 37.83 35.21 3i1j s LYS 158 CO 0.00 -0.47 1.55 0.20 -0.36 0.00 0.00 175.35 176.27 3i1j s GLY 159 N 2.18 2.19 0.02 5.54 0.00 -1.26 -4.05 107.32 111.94 3i1j s GLY 159 Ca 0.04 1.50 0.03 0.00 0.00 0.00 0.00 44.72 46.29 3i1j s GLY 159 CO -0.06 2.47 -0.10 0.50 0.00 0.00 0.00 173.10 175.91 3i1j s ARG 160 N -0.49 0.71 0.41 2.90 0.52 -1.26 -5.07 118.95 116.66 3i1j s ARG 160 Ca 0.62 -0.55 -0.25 0.00 -0.52 0.00 0.00 55.73 55.04 3i1j s ARG 160 Cb -0.46 -0.65 -0.11 0.00 0.52 0.00 0.00 34.95 34.25 3i1j s ARG 160 CO 0.47 0.16 1.04 0.00 0.02 0.00 0.00 175.30 176.99 3i1j n ALA 161 N 2.24 0.28 -1.62 2.13 0.00 -1.26 -3.27 120.51 119.00 3i1j n ALA 161 Ca -0.17 0.24 -0.16 0.00 0.00 0.00 0.00 53.44 53.35 3i1j n ALA 161 Cb 0.56 -2.10 -0.06 0.00 0.00 0.00 0.00 19.45 17.85 3i1j n ALA 161 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i1j n ASN 162 N 0.52 -4.89 -0.88 0.00 4.13 -1.26 -4.87 115.26 108.00 3i1j n ASN 162 Ca 0.09 0.32 0.10 0.00 1.68 0.00 0.00 54.58 56.77 3i1j n ASN 162 Cb 0.39 -3.83 0.28 0.00 -1.54 0.00 0.00 39.78 35.07 3i1j n ASN 162 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 3i1j n TRP 163 N -2.82 0.44 0.00 3.10 7.02 -1.20 -3.75 117.44 120.23 3i1j n TRP 163 Ca -0.17 -0.22 0.00 0.00 -1.02 0.00 0.00 57.50 56.09 3i1j n TRP 163 Cb 0.55 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.44 3i1j n TRP 163 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3i1j n GLY 164 N 1.32 3.14 0.04 6.99 0.00 -1.25 -0.97 105.19 114.46 3i1j n GLY 164 Ca 0.18 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.31 3i1j n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1j n ALA 165 N 9.81 2.52 0.26 4.61 0.00 -1.26 -4.15 120.51 132.30 3i1j n ALA 165 Ca 0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 53.44 53.16 3i1j n ALA 165 Cb 0.00 -1.40 -0.08 0.00 0.00 0.00 0.00 19.45 17.97 3i1j n ALA 165 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3i1j h TYR 166 N 0.00 -0.59 -0.49 0.00 3.20 -1.16 0.24 116.97 118.16 3i1j h TYR 166 Ca 0.00 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.91 3i1j h TYR 166 Cb 0.60 0.19 -0.05 0.00 1.54 0.00 0.00 36.73 39.01 3i1j h TYR 166 CO 0.00 -0.31 0.23 0.78 -1.64 0.00 0.00 178.16 177.22 3i1j h GLY 167 N -0.75 0.68 0.87 1.82 0.00 -1.71 -1.42 103.07 102.56 3i1j h GLY 167 Ca -0.06 -0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.15 3i1j h GLY 167 CO 0.11 0.08 0.39 -2.08 0.00 0.00 0.00 176.54 175.04 3i1j h VAL 168 N 0.44 1.08 -0.07 4.60 2.07 -1.68 -1.26 116.25 121.43 3i1j h VAL 168 Ca 0.22 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 3i1j h VAL 168 Cb 0.17 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3i1j h VAL 168 CO -0.18 0.14 -0.23 0.77 0.02 0.00 0.00 177.57 178.09 3i1j h SER 169 N 0.77 0.12 0.58 0.57 4.64 -0.17 -2.18 113.55 117.89 3i1j h SER 169 Ca 0.25 -0.03 -0.23 0.00 -0.47 0.00 0.00 61.79 61.31 3i1j h SER 169 Cb 0.02 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3i1j h SER 169 CO -0.10 0.36 -1.03 0.11 -0.87 0.00 0.00 176.83 175.29 3i1j h LYS 170 N 0.11 0.25 -0.37 4.77 1.79 -0.71 -1.61 116.57 120.81 3i1j h LYS 170 Ca 0.02 -0.34 0.08 0.00 -2.18 0.00 0.00 60.65 58.23 3i1j h LYS 170 Cb 0.48 0.11 -0.08 0.00 -1.58 0.00 0.00 32.23 31.16 3i1j h LYS 170 CO 0.03 1.09 -0.13 0.74 -1.08 0.00 0.00 179.45 180.10 3i1j h PHE 171 N 0.11 -0.31 -0.63 -1.35 -1.00 -1.13 -1.81 116.94 110.83 3i1j h PHE 171 Ca -0.08 0.04 0.04 0.00 2.81 0.00 0.00 57.97 60.78 3i1j h PHE 171 Cb 1.71 0.19 -0.05 0.00 3.61 0.00 0.00 35.95 41.42 3i1j h PHE 171 CO 0.05 -0.21 0.37 0.00 -1.61 0.00 0.00 178.31 176.91 3i1j h ALA 172 N 1.27 0.82 -0.41 2.45 0.00 -1.33 -1.52 119.26 120.54 3i1j h ALA 172 Ca 0.18 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3i1j h ALA 172 Cb 0.33 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3i1j h ALA 172 CO -0.41 0.08 0.14 1.15 0.00 0.00 0.00 179.25 180.21 3i1j h THR 173 N 0.71 0.87 -0.73 0.00 2.02 -1.15 0.56 112.91 115.19 3i1j h THR 173 Ca 0.26 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.37 3i1j h THR 173 Cb 0.08 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 3i1j h THR 173 CO -0.13 0.05 0.47 -0.33 0.37 0.00 0.00 175.52 175.95 3i1j h GLU 174 N 0.30 0.89 -0.50 6.66 4.39 -0.89 -2.93 114.58 122.50 3i1j h GLU 174 Ca 0.19 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.76 3i1j h GLU 174 Cb 0.18 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 3i1j h GLU 174 CO -0.20 0.59 -0.00 0.78 -1.16 0.00 0.00 179.01 179.02 3i1j h GLY 175 N 0.92 0.91 -1.17 -3.84 0.00 -0.79 -0.59 103.07 98.50 3i1j h GLY 175 Ca 0.29 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3i1j h GLY 175 CO -0.10 0.58 0.00 -0.10 0.00 0.00 0.00 176.54 176.92 3i1j n LEU 176 N -4.20 0.13 0.00 3.11 0.00 0.15 -1.48 117.00 114.70 3i1j n LEU 176 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 56.01 55.97 3i1j n LEU 176 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 43.42 43.68 3i1j n LEU 176 CO 0.42 0.03 0.00 0.00 0.00 0.00 0.00 177.39 177.84 3i1j n GLN 178 N 0.54 0.00 0.11 1.96 6.02 -0.23 -1.08 117.38 124.70 3i1j n GLN 178 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 3i1j n GLN 178 Cb 0.03 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.23 3i1j n GLN 178 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 3i1j h THR 179 N 0.00 0.50 -0.10 5.09 2.02 -1.52 -2.03 112.91 116.87 3i1j h THR 179 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3i1j h THR 179 Cb 0.00 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3i1j h THR 179 CO 0.00 0.00 0.05 0.25 0.37 0.00 0.00 175.52 176.19 3i1j h LEU 180 N -0.42 0.08 -0.84 2.58 5.85 -1.36 -2.45 115.31 118.75 3i1j h LEU 180 Ca 0.03 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.88 3i1j h LEU 180 Cb 0.44 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.37 3i1j h LEU 180 CO -0.12 0.06 0.45 0.00 -0.34 0.00 0.00 178.44 178.49 3i1j h ALA 181 N 1.04 1.25 -0.14 1.25 0.00 -1.79 -0.30 119.26 120.57 3i1j h ALA 181 Ca 0.04 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3i1j h ALA 181 Cb -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3i1j h ALA 181 CO -0.02 -0.03 -0.23 0.22 0.00 0.00 0.00 179.25 179.19 3i1j h ASP 182 N 0.68 0.24 0.38 0.00 3.58 -0.92 -1.73 116.42 118.65 3i1j h ASP 182 Ca 0.44 -0.07 -0.20 0.00 0.42 0.00 0.00 57.03 57.63 3i1j h ASP 182 Cb 0.56 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.54 3i1j h ASP 182 CO -0.32 0.48 -0.83 -0.33 -2.88 0.00 0.00 179.24 175.35 3i1j h GLU 183 N 0.22 0.34 0.00 0.28 5.08 -0.84 -3.31 114.58 116.35 3i1j h GLU 183 Ca 0.04 -0.32 -0.16 0.00 -1.00 0.00 0.00 59.36 57.92 3i1j h GLU 183 Cb 0.54 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3i1j h GLU 183 CO 0.04 1.00 -0.75 -0.07 -1.00 0.00 0.00 179.01 178.22 3i1j h LEU 184 N 0.21 0.00 -9.19 1.33 3.38 -0.79 -3.45 115.31 106.80 3i1j h LEU 184 Ca -0.05 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.21 3i1j h LEU 184 Cb 1.44 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.21 3i1j h LEU 184 CO 0.14 0.75 0.89 -0.62 0.09 0.00 0.00 178.44 179.69 3i1j n GLU 185 N -3.42 1.36 0.00 1.13 -0.58 -0.68 -2.38 120.64 116.07 3i1j n GLU 185 Ca 0.00 0.50 0.00 0.00 -0.42 0.00 0.00 57.16 57.24 3i1j n GLU 185 Cb 0.79 -2.21 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 3i1j n GLU 185 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i1j n GLY 186 N 4.04 1.15 0.13 0.62 0.00 -1.26 -4.56 105.19 105.32 3i1j n GLY 186 Ca 0.25 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.40 3i1j n GLY 186 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i1j n VAL 187 N 0.00 0.00 -4.19 1.61 0.24 -1.19 -4.88 118.33 109.92 3i1j n VAL 187 Ca 0.00 -0.07 -0.12 0.00 -2.04 0.00 0.00 64.34 62.12 3i1j n VAL 187 Cb 0.00 0.18 -0.10 0.00 -1.47 0.00 0.00 33.84 32.45 3i1j n VAL 187 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3i1j s THR 188 N -2.67 0.17 -0.28 3.34 -4.23 -1.00 -5.03 115.64 105.94 3i1j s THR 188 Ca 0.21 -1.96 0.12 0.00 -1.18 0.00 0.00 61.69 58.88 3i1j s THR 188 Cb 0.19 -2.27 0.80 0.00 1.34 0.00 0.00 72.50 72.56 3i1j s THR 188 CO 0.56 -0.26 1.78 0.00 -0.54 0.00 0.00 174.62 176.16 3i1j n ALA 189 N -0.21 4.18 -2.86 3.99 0.00 -1.26 -4.84 120.51 119.50 3i1j n ALA 189 Ca -0.02 -2.07 -0.37 0.00 0.00 0.00 0.00 53.44 50.98 3i1j n ALA 189 Cb 0.65 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 3i1j n ALA 189 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i1j s VAL 190 N -2.85 5.45 0.13 0.00 1.01 -1.26 -1.71 120.40 121.18 3i1j s VAL 190 Ca 0.55 0.19 0.10 0.00 0.00 0.00 0.00 61.98 62.82 3i1j s VAL 190 Cb 0.43 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 3i1j s VAL 190 CO 0.15 0.60 -0.21 0.00 0.00 0.00 0.00 175.10 175.64 3i1j s ARG 191 N -0.89 1.65 -0.05 2.72 1.70 -0.25 -4.69 118.95 119.14 3i1j s ARG 191 Ca 0.14 -1.26 0.02 0.00 -0.47 0.00 0.00 55.73 54.16 3i1j s ARG 191 Cb -0.12 -2.03 0.02 0.00 -0.57 0.00 0.00 34.95 32.25 3i1j s ARG 191 CO 0.03 0.46 -0.09 0.00 -1.08 0.00 0.00 175.30 174.63 3i1j s ALA 192 N -1.17 0.97 0.13 7.88 0.00 -1.26 -0.31 121.76 128.00 3i1j s ALA 192 Ca 0.17 -0.25 -0.11 0.00 0.00 0.00 0.00 51.96 51.77 3i1j s ALA 192 Cb -0.10 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.55 3i1j s ALA 192 CO 0.09 0.07 0.30 -0.80 0.00 0.00 0.00 175.76 175.42 3i1j s ASN 193 N 0.72 -0.03 0.13 0.00 0.01 -0.52 0.14 114.94 115.38 3i1j s ASN 193 Ca -0.13 -0.60 0.07 0.00 -0.71 0.00 0.00 52.86 51.49 3i1j s ASN 193 Cb -0.15 0.42 -0.04 0.00 0.41 0.00 0.00 41.25 41.89 3i1j s ASN 193 CO 0.02 -0.83 -0.05 -0.94 -1.51 0.00 0.00 177.10 173.79 3i1j s SER 194 N -2.87 4.65 -0.16 -1.22 1.04 0.26 -0.98 113.70 114.41 3i1j s SER 194 Ca 0.08 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.16 3i1j s SER 194 Cb 0.03 -0.97 0.02 0.00 0.10 0.00 0.00 66.02 65.21 3i1j s SER 194 CO -0.08 0.15 -0.16 -0.63 0.98 0.00 0.00 173.24 173.50 3i1j s ILE 195 N -1.42 1.70 -0.47 -1.02 1.01 0.36 -1.10 121.20 120.27 3i1j s ILE 195 Ca 0.24 -0.71 -0.22 0.00 0.00 0.00 0.00 60.65 59.96 3i1j s ILE 195 Cb -0.11 -1.58 0.03 0.00 0.01 0.00 0.00 42.46 40.82 3i1j s ILE 195 CO 0.16 0.48 0.77 0.21 0.00 0.00 0.00 174.94 176.57 3i1j s ASN 196 N 1.44 6.37 0.53 3.58 2.47 0.11 -1.40 114.94 128.03 3i1j s ASN 196 Ca 0.05 -0.27 0.31 0.00 0.42 0.00 0.00 52.86 53.37 3i1j s ASN 196 Cb -0.13 -2.37 1.33 0.00 -1.45 0.00 0.00 41.25 38.63 3i1j s ASN 196 CO -0.11 -0.94 1.98 1.55 -3.72 0.00 0.00 177.10 175.85 3i1j h PRO 197 N 9.02 0.00 0.00 0.43 0.13 -1.88 0.17 132.00 139.87 3i1j h PRO 197 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3i1j h PRO 197 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3i1j h PRO 197 CO 0.97 0.07 0.00 0.41 -0.23 0.00 0.00 178.00 179.22 3i1j n GLY 198 N -0.07 -1.05 3.67 1.56 0.00 -1.26 -2.87 105.19 105.17 3i1j n GLY 198 Ca 0.00 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 3i1j n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1j s ALA 199 N -1.27 3.61 0.16 4.61 0.00 -1.25 -4.96 121.76 122.67 3i1j s ALA 199 Ca 0.00 0.63 0.08 0.00 0.00 0.00 0.00 51.96 52.67 3i1j s ALA 199 Cb 0.00 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 3i1j s ALA 199 CO 0.00 -1.09 -0.18 0.95 0.00 0.00 0.00 175.76 175.44 3i1j s THR 200 N 3.15 1.80 -1.34 0.00 -4.23 -1.26 -4.18 115.64 109.59 3i1j s THR 200 Ca 0.59 -1.91 -0.17 0.00 -1.18 0.00 0.00 61.69 59.02 3i1j s THR 200 Cb -0.26 -1.84 0.05 0.00 1.34 0.00 0.00 72.50 71.80 3i1j s THR 200 CO 0.20 -0.32 1.88 -1.14 -0.54 0.00 0.00 174.62 174.71 3i1j n ARG 201 N 0.30 3.04 -4.26 3.99 0.63 0.20 -4.60 116.66 115.96 3i1j n ARG 201 Ca -0.13 -3.05 -0.14 0.00 -0.92 0.00 0.00 57.85 53.60 3i1j n ARG 201 Cb 0.57 -3.44 -0.10 0.00 0.45 0.00 0.00 32.46 29.94 3i1j n ARG 201 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3i1j s THR 202 N 4.14 1.16 -0.26 5.15 -4.23 -1.26 -4.56 115.64 115.77 3i1j s THR 202 Ca 0.52 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 3i1j s THR 202 Cb 0.07 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 72.01 3i1j s THR 202 CO 0.03 -0.70 0.00 0.61 -0.54 0.00 0.00 174.62 174.02 3i1j n GLY 203 N -0.22 0.00 0.00 3.99 0.00 -1.26 -1.84 105.19 105.86 3i1j n GLY 203 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3i1j n GLY 203 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i1j n ARG 205 N 0.71 0.00 0.00 1.61 1.85 -1.26 -4.65 116.66 114.92 3i1j n ARG 205 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3i1j n ARG 205 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3i1j n ARG 205 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i1j n ALA 206 N 0.00 2.46 0.00 2.89 0.00 -0.77 -3.31 120.51 121.78 3i1j n ALA 206 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1j n ALA 206 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3i1j n ALA 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1j n ALA 208 N 0.25 0.00 -0.61 0.00 0.00 -1.26 -5.14 120.51 113.74 3i1j n ALA 208 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1j n ALA 208 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 3i1j n ALA 208 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i1j n TYR 209 N 3.61 0.00 -1.07 0.00 4.01 -1.21 -5.23 117.16 117.27 3i1j n TYR 209 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3i1j n TYR 209 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3i1j n TYR 209 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3i1j n ASN 213 N 0.00 0.00 -0.24 7.72 0.23 -1.26 -5.05 115.26 116.66 3i1j n ASN 213 Ca 0.00 0.00 0.27 0.00 -0.53 0.00 0.00 54.58 54.32 3i1j n ASN 213 Cb 0.00 0.00 0.65 0.00 -2.08 0.00 0.00 39.78 38.35 3i1j n ASN 213 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 3i1j h PRO 214 N 0.00 0.15 0.00 -0.53 0.11 -1.98 -2.53 132.00 127.21 3i1j h PRO 214 Ca 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 3i1j h PRO 214 Cb 0.00 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 3i1j h PRO 214 CO 0.00 0.10 -0.04 -0.07 -0.21 0.00 0.00 178.00 177.78 3i1j h LEU 215 N 0.15 0.00 0.00 2.35 4.07 -2.01 -2.70 115.31 117.17 3i1j h LEU 215 Ca 0.49 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.45 3i1j h LEU 215 Cb 1.66 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.40 3i1j h LEU 215 CO -0.09 0.04 0.00 0.59 -1.08 0.00 0.00 178.44 177.89 3i1j n ASN 216 N -3.21 0.00 -4.73 -0.43 3.02 -0.95 -4.83 115.26 104.13 3i1j n ASN 216 Ca -0.01 0.47 -0.33 0.00 -0.03 0.00 0.00 54.58 54.68 3i1j n ASN 216 Cb 0.23 -0.49 -0.08 0.00 -0.61 0.00 0.00 39.78 38.84 3i1j n ASN 216 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3i1j s ASN 217 N -2.97 5.37 0.69 6.41 0.02 -1.02 -5.03 114.94 118.41 3i1j s ASN 217 Ca 0.11 0.06 -0.11 0.00 -1.02 0.00 0.00 52.86 51.90 3i1j s ASN 217 Cb 0.14 -1.47 0.01 0.00 0.02 0.00 0.00 41.25 39.95 3i1j s ASN 217 CO 0.37 0.28 1.06 -2.16 0.02 0.00 0.00 177.10 176.67 3i1j s PRO 218 N -1.63 2.95 0.49 -0.60 0.04 -1.26 -4.39 135.00 130.61 3i1j s PRO 218 Ca 0.21 0.88 -0.23 0.00 0.04 0.00 0.00 61.00 61.90 3i1j s PRO 218 Cb -0.12 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 3i1j s PRO 218 CO 0.12 -1.07 1.29 0.00 0.04 0.00 0.00 177.00 177.38 3i1j s ALA 219 N -3.09 2.94 0.26 8.56 0.00 -1.26 -0.63 121.76 128.54 3i1j s ALA 219 Ca 0.58 1.18 -0.04 0.00 0.00 0.00 0.00 51.96 53.68 3i1j s ALA 219 Cb -0.13 -3.49 0.34 0.00 0.00 0.00 0.00 23.12 19.83 3i1j s ALA 219 CO 0.55 -1.05 1.89 -1.35 0.00 0.00 0.00 175.76 175.80 3i1j h PRO 220 N 1.85 1.17 -1.04 0.00 0.11 -1.92 0.49 132.00 132.66 3i1j h PRO 220 Ca -0.50 -0.07 0.41 0.00 0.11 0.00 0.00 66.00 65.95 3i1j h PRO 220 Cb 1.27 -0.26 -0.17 0.00 0.11 0.00 0.00 31.00 31.95 3i1j h PRO 220 CO 0.59 0.77 0.58 0.93 -0.21 0.00 0.00 178.00 180.66 3i1j h GLU 221 N 1.21 0.05 -0.00 1.05 5.08 -1.91 0.17 114.58 120.23 3i1j h GLU 221 Ca 0.40 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 3i1j h GLU 221 Cb 0.06 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3i1j h GLU 221 CO -0.14 0.04 -0.13 -0.25 -1.00 0.00 0.00 179.01 177.52 3i1j n ASP 222 N -5.17 0.21 -4.28 1.42 8.00 0.17 -4.86 116.55 112.03 3i1j n ASP 222 Ca 0.37 0.04 -0.44 0.00 0.71 0.00 0.00 54.79 55.47 3i1j n ASP 222 Cb 1.27 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 42.11 3i1j n ASP 222 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3i1j s ILE 223 N -2.84 5.32 0.00 0.53 -4.36 0.58 -4.99 121.20 115.44 3i1j s ILE 223 Ca 0.18 -2.78 0.00 0.00 -0.26 0.00 0.00 60.65 57.79 3i1j s ILE 223 Cb 0.19 -4.29 0.00 0.00 1.25 0.00 0.00 42.46 39.61 3i1j s ILE 223 CO 0.55 -1.03 0.00 -2.65 0.24 0.00 0.00 174.94 172.04 3i1j n PRO 225 N 3.60 0.00 -0.16 0.37 -0.02 -1.26 -4.44 135.00 133.09 3i1j n PRO 225 Ca 0.15 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.60 3i1j n PRO 225 Cb 0.44 0.00 0.19 0.00 -0.02 0.00 0.00 33.50 34.11 3i1j n PRO 225 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3i1j h VAL 226 N 0.00 1.22 -0.33 -1.45 3.04 -1.90 0.64 116.25 117.47 3i1j h VAL 226 Ca 0.00 -0.74 0.02 0.00 -1.01 0.00 0.00 66.70 64.97 3i1j h VAL 226 Cb 0.00 0.55 -0.03 0.00 -2.01 0.00 0.00 31.29 29.80 3i1j h VAL 226 CO 0.00 0.29 0.17 1.88 -1.01 0.00 0.00 177.57 178.90 3i1j h TYR 227 N 0.87 0.33 -0.32 3.17 -1.99 -1.99 -1.66 116.97 115.37 3i1j h TYR 227 Ca 0.20 0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.88 3i1j h TYR 227 Cb 0.22 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 38.84 3i1j h TYR 227 CO 0.01 0.18 -0.04 -0.07 -0.00 0.00 0.00 178.16 178.24 3i1j h LEU 228 N 0.36 0.59 -0.26 3.88 3.38 -1.87 -3.24 115.31 118.16 3i1j h LEU 228 Ca 0.14 -0.34 0.06 0.00 0.09 0.00 0.00 57.88 57.83 3i1j h LEU 228 Cb 0.03 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.55 3i1j h LEU 228 CO -0.08 0.79 -0.33 0.22 0.09 0.00 0.00 178.44 179.13 3i1j h TYR 229 N 0.38 -0.91 0.00 1.13 3.20 -0.68 -2.51 116.97 117.59 3i1j h TYR 229 Ca 0.09 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3i1j h TYR 229 Cb 0.52 0.44 0.00 0.00 1.54 0.00 0.00 36.73 39.22 3i1j h TYR 229 CO 0.04 -0.39 0.00 1.28 -1.64 0.00 0.00 178.16 177.45 3i1j n LEU 230 N -5.41 0.97 0.00 2.82 4.77 -0.64 -3.95 117.00 115.55 3i1j n LEU 230 Ca -0.01 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 3i1j n LEU 230 Cb 0.33 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3i1j n LEU 230 CO 0.11 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3i1j n GLY 232 N 0.98 0.00 0.04 -0.72 0.00 -0.95 -4.71 105.19 99.83 3i1j n GLY 232 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 3i1j n GLY 232 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i1j n PRO 233 N 0.00 0.05 0.23 1.61 -0.04 -1.26 -2.73 135.00 132.86 3i1j n PRO 233 Ca 0.00 0.34 0.14 0.00 -0.04 0.00 0.00 63.50 63.94 3i1j n PRO 233 Cb 0.00 -1.61 0.43 0.00 -0.04 0.00 0.00 33.50 32.28 3i1j n PRO 233 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3i1j h ASP 234 N 0.00 0.00 -0.61 3.54 3.45 -1.95 -3.07 116.42 117.77 3i1j h ASP 234 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3i1j h ASP 234 Cb 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 3i1j h ASP 234 CO 0.00 0.00 0.00 -1.54 -1.57 0.00 0.00 179.24 176.13 3i1j n SER 235 N -2.98 3.78 -4.60 6.45 3.41 -1.11 -4.97 113.62 113.60 3i1j n SER 235 Ca 0.03 -1.99 -0.50 0.00 -0.26 0.00 0.00 58.87 56.14 3i1j n SER 235 Cb 0.41 -0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3i1j n SER 235 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3i1j n THR 236 N 1.57 0.24 0.00 6.66 -1.04 -1.16 -0.92 114.28 119.63 3i1j n THR 236 Ca 0.22 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 3i1j n THR 236 Cb 0.61 -0.92 0.00 0.00 -1.82 0.00 0.00 70.33 68.20 3i1j n THR 236 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1j n GLY 237 N 2.48 2.63 3.62 3.41 0.00 -1.26 -5.01 105.19 111.06 3i1j n GLY 237 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 3i1j n GLY 237 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i1j s ILE 238 N -2.13 4.41 -0.12 -0.61 -1.09 -0.09 -5.00 121.20 116.58 3i1j s ILE 238 Ca 0.00 1.46 -0.09 0.00 -2.23 0.00 0.00 60.65 59.79 3i1j s ILE 238 Cb 0.00 -4.47 0.04 0.00 -1.58 0.00 0.00 42.46 36.44 3i1j s ILE 238 CO 0.00 -0.68 0.30 0.21 -1.23 0.00 0.00 174.94 173.54 3i1j s ASN 239 N 1.98 -0.33 -0.01 3.58 3.04 -1.26 -4.56 114.94 117.38 3i1j s ASN 239 Ca 0.45 0.62 0.00 0.00 0.04 0.00 0.00 52.86 53.97 3i1j s ASN 239 Cb -0.10 0.59 0.00 0.00 -1.54 0.00 0.00 41.25 40.20 3i1j s ASN 239 CO 0.22 -0.13 0.00 0.61 -3.04 0.00 0.00 177.10 174.76 3i1j n GLY 240 N 3.32 0.41 3.81 1.21 0.00 0.12 -4.97 105.19 109.09 3i1j n GLY 240 Ca -0.16 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 3i1j n GLY 240 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i1j s GLN 241 N -1.70 3.81 -0.46 1.61 -1.52 -1.25 -4.95 119.66 115.20 3i1j s GLN 241 Ca 0.00 -0.14 -0.16 0.00 -1.95 0.00 0.00 55.36 53.10 3i1j s GLN 241 Cb 0.00 -3.30 0.05 0.00 -0.22 0.00 0.00 33.01 29.54 3i1j s GLN 241 CO 0.00 0.55 0.44 0.00 -0.25 0.00 0.00 175.29 176.02 3i1j s ALA 242 N -0.37 3.49 0.35 6.09 0.00 -1.26 -0.58 121.76 129.48 3i1j s ALA 242 Ca 0.12 -1.87 0.08 0.00 0.00 0.00 0.00 51.96 50.29 3i1j s ALA 242 Cb -0.12 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 3i1j s ALA 242 CO 0.02 -1.72 0.17 -0.51 0.00 0.00 0.00 175.76 173.72 3i1j s LEU 243 N 1.94 3.30 -0.02 0.00 1.43 -0.26 -4.98 118.68 120.10 3i1j s LEU 243 Ca 0.08 -0.76 0.08 0.00 -1.03 0.00 0.00 54.13 52.50 3i1j s LEU 243 Cb -0.21 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 3i1j s LEU 243 CO 0.09 -0.33 -0.24 0.20 0.23 0.00 0.00 176.35 176.30 3i1j s ASN 244 N -3.88 3.21 -0.12 2.29 0.01 -1.26 -0.71 114.94 114.48 3i1j s ASN 244 Ca 0.39 -0.45 -0.07 0.00 -0.71 0.00 0.00 52.86 52.02 3i1j s ASN 244 Cb -0.03 -0.41 -0.02 0.00 0.41 0.00 0.00 41.25 41.20 3i1j s ASN 244 CO 0.23 0.32 -0.14 0.00 -1.51 0.00 0.00 177.10 176.00 3i1j h ALA 245 N 5.37 0.00 0.00 0.60 0.00 -0.88 -3.41 119.26 120.94 3i1j h ALA 245 Ca -0.44 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.05 3i1j h ALA 245 Cb 1.13 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3i1j h ALA 245 CO 0.47 0.39 0.00 1.04 0.00 0.00 0.00 179.25 181.15