#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d40 n GLY -7 N 0.00 -0.46 3.68 0.23 0.00 -1.26 -5.01 105.19 102.37 3d40 n GLY -7 Ca 0.00 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 3d40 n GLY -7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3d40 s LEU -6 N 0.00 4.30 -0.26 0.99 2.96 -1.26 -5.00 118.68 120.42 3d40 s LEU -6 Ca 0.64 2.10 -0.08 0.00 -0.22 0.00 0.00 54.13 56.57 3d40 s LEU -6 Cb -0.03 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 3d40 s LEU -6 CO 0.44 -0.77 0.08 -0.69 -1.32 0.00 0.00 176.35 174.09 3d40 s VAL -5 N 2.81 4.32 0.19 1.68 1.01 -1.26 -5.07 120.40 124.09 3d40 s VAL -5 Ca 0.65 -0.23 -0.31 0.00 0.00 0.00 0.00 61.98 62.09 3d40 s VAL -5 Cb -0.31 -3.05 -0.10 0.00 0.00 0.00 0.00 36.38 32.92 3d40 s VAL -5 CO 0.26 0.29 1.53 -2.84 0.00 0.00 0.00 175.10 174.34 3d40 s PRO -4 N 1.61 4.23 0.08 2.72 0.02 -1.26 -5.00 135.00 137.40 3d40 s PRO -4 Ca 0.06 2.34 0.01 0.00 0.02 0.00 0.00 61.00 63.43 3d40 s PRO -4 Cb -0.15 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.18 3d40 s PRO -4 CO 0.04 -0.55 -0.06 1.03 -0.33 0.00 0.00 177.00 177.13 3d40 s ARG -3 N 0.69 0.75 0.00 5.54 0.52 -1.26 -4.92 118.95 120.27 3d40 s ARG -3 Ca 0.67 -1.25 0.00 0.00 -0.52 0.00 0.00 55.73 54.63 3d40 s ARG -3 Cb -0.43 -0.11 0.00 0.00 0.52 0.00 0.00 34.95 34.93 3d40 s ARG -3 CO 0.35 -0.04 0.00 0.41 0.02 0.00 0.00 175.30 176.04 3d40 n GLY -2 N 0.15 2.22 0.00 -3.53 0.00 -1.26 -4.93 105.19 97.84 3d40 n GLY -2 Ca -0.14 -1.43 0.08 0.00 0.00 0.00 0.00 46.02 44.54 3d40 n GLY -2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d40 n SER -1 N 0.00 0.00 -1.03 1.61 3.41 -1.26 -1.63 113.62 114.72 3d40 n SER -1 Ca 0.00 0.41 0.12 0.00 -0.26 0.00 0.00 58.87 59.14 3d40 n SER -1 Cb 0.00 -0.46 0.21 0.00 -0.26 0.00 0.00 64.21 63.70 3d40 n SER -1 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d40 n HIS 0 N -1.46 0.34 -3.91 7.33 1.44 -1.26 -0.55 115.22 117.15 3d40 n HIS 0 Ca 0.05 -0.17 -0.32 0.00 -2.01 0.00 0.00 57.72 55.27 3d40 n HIS 0 Cb 0.18 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.24 3d40 n HIS 0 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3d40 s MET 1 N -1.66 3.45 0.12 -1.40 1.00 -0.65 -4.81 119.30 115.35 3d40 s MET 1 Ca 0.36 -0.39 -0.25 0.00 0.00 0.00 0.00 55.69 55.41 3d40 s MET 1 Cb 0.22 -3.05 -0.07 0.00 0.00 0.00 0.00 34.83 31.92 3d40 s MET 1 CO 0.31 0.63 0.76 0.99 0.00 0.00 0.00 175.02 177.71 3d40 s THR 2 N -1.46 4.50 0.54 2.05 2.01 -1.26 -4.18 115.64 117.84 3d40 s THR 2 Ca 0.33 1.65 -0.20 0.00 0.31 0.00 0.00 61.69 63.78 3d40 s THR 2 Cb -0.13 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 3d40 s THR 2 CO 0.25 0.48 1.18 -2.84 -0.69 0.00 0.00 174.62 173.00 3d40 s PRO 3 N -0.83 3.31 0.07 4.92 0.02 -1.26 -4.88 135.00 136.35 3d40 s PRO 3 Ca 0.36 1.77 0.24 0.00 0.02 0.00 0.00 61.00 63.38 3d40 s PRO 3 Cb -0.22 -2.09 0.23 0.00 0.02 0.00 0.00 34.50 32.44 3d40 s PRO 3 CO 0.25 -0.92 1.20 -0.25 -0.33 0.00 0.00 177.00 176.95 3d40 n ASP 4 N -1.18 0.63 -3.67 2.53 8.00 0.89 -4.95 116.55 118.79 3d40 n ASP 4 Ca 0.11 -0.11 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 3d40 n ASP 4 Cb 0.49 0.47 -0.08 0.00 -0.02 0.00 0.00 41.12 41.98 3d40 n ASP 4 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3d40 s PHE 5 N -3.15 -0.64 -0.15 1.24 5.36 -0.85 -4.84 117.98 114.94 3d40 s PHE 5 Ca 0.06 1.57 0.01 0.00 -0.96 0.00 0.00 56.93 57.60 3d40 s PHE 5 Cb 0.15 0.22 0.00 0.00 -0.34 0.00 0.00 43.02 43.05 3d40 s PHE 5 CO 0.76 -0.32 -0.17 -1.17 -1.46 0.00 0.00 175.22 172.86 3d40 s LEU 6 N 0.28 2.37 -0.31 6.12 2.96 -0.20 -0.80 118.68 129.09 3d40 s LEU 6 Ca -0.00 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 53.34 3d40 s LEU 6 Cb -0.04 -1.53 0.03 0.00 0.50 0.00 0.00 46.19 45.15 3d40 s LEU 6 CO 0.01 0.08 0.07 0.00 -1.32 0.00 0.00 176.35 175.19 3d40 s ALA 7 N 0.83 2.98 -0.18 5.97 0.00 -0.14 -1.40 121.76 129.82 3d40 s ALA 7 Ca -0.05 -1.66 -0.04 0.00 0.00 0.00 0.00 51.96 50.21 3d40 s ALA 7 Cb -0.15 -2.14 -0.02 0.00 0.00 0.00 0.00 23.12 20.81 3d40 s ALA 7 CO -0.01 -1.19 -0.04 -1.50 0.00 0.00 0.00 175.76 173.02 3d40 s ILE 8 N 1.39 3.61 -0.15 0.00 2.07 -0.72 -0.96 121.20 126.44 3d40 s ILE 8 Ca -0.01 -0.44 -0.01 0.00 -1.41 0.00 0.00 60.65 58.78 3d40 s ILE 8 Cb -0.19 -2.61 -0.01 0.00 0.13 0.00 0.00 42.46 39.78 3d40 s ILE 8 CO 0.01 0.46 -0.11 -0.75 -1.91 0.00 0.00 174.94 172.64 3d40 s LYS 9 N 0.88 3.38 -0.30 3.50 2.36 0.26 -0.38 119.74 129.43 3d40 s LYS 9 Ca -0.01 -0.67 -0.09 0.00 -2.55 0.00 0.00 55.97 52.65 3d40 s LYS 9 Cb -0.15 -2.72 -0.01 0.00 -1.05 0.00 0.00 37.83 33.91 3d40 s LYS 9 CO 0.01 0.11 0.12 0.54 1.55 0.00 0.00 175.35 177.69 3d40 s VAL 10 N 0.63 4.43 0.40 4.02 0.11 -0.18 -0.79 120.40 129.01 3d40 s VAL 10 Ca -0.06 -0.42 -0.27 0.00 -2.93 0.00 0.00 61.98 58.30 3d40 s VAL 10 Cb -0.15 -3.23 -0.09 0.00 -1.53 0.00 0.00 36.38 31.37 3d40 s VAL 10 CO 0.03 0.12 1.39 -0.83 -3.33 0.00 0.00 175.10 172.48 3d40 s GLY 11 N 1.59 2.94 0.47 6.54 0.00 -0.36 -0.60 107.32 117.91 3d40 s GLY 11 Ca 0.05 1.40 0.15 0.00 0.00 0.00 0.00 44.72 46.32 3d40 s GLY 11 CO 0.05 2.04 2.03 -1.33 0.00 0.00 0.00 173.10 175.89 3d40 h GLY 12 N 2.79 0.33 2.00 0.20 0.00 -1.90 -0.83 103.07 105.67 3d40 h GLY 12 Ca -0.50 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.72 3d40 h GLY 12 CO 0.63 0.08 0.00 1.48 0.00 0.00 0.00 176.54 178.73 3d40 h SER 13 N 0.26 0.00 0.87 0.19 4.64 -1.91 -1.47 113.55 116.14 3d40 h SER 13 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3d40 h SER 13 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3d40 h SER 13 CO -0.04 0.00 -0.49 0.18 -0.87 0.00 0.00 176.83 175.61 3d40 n LEU 14 N -2.65 0.63 -0.20 5.97 4.77 -0.32 -4.30 117.00 120.90 3d40 n LEU 14 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3d40 n LEU 14 Cb 0.11 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3d40 n LEU 14 CO 0.17 -0.03 0.24 2.22 -1.33 0.00 0.00 177.39 178.66 3d40 n PHE 15 N -1.98 0.00 -3.94 -1.77 1.16 -0.84 -4.90 117.46 105.19 3d40 n PHE 15 Ca 0.04 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.53 3d40 n PHE 15 Cb 0.41 -0.01 -0.03 0.00 -1.61 0.00 0.00 39.48 38.25 3d40 n PHE 15 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 3d40 s SER 16 N -0.37 0.03 -0.05 5.98 1.04 -0.61 -0.11 113.70 119.60 3d40 s SER 16 Ca 0.00 -0.97 0.02 0.00 0.48 0.00 0.00 55.95 55.48 3d40 s SER 16 Cb 0.00 0.69 0.02 0.00 0.10 0.00 0.00 66.02 66.82 3d40 s SER 16 CO 0.00 -1.32 -0.08 -0.13 0.98 0.00 0.00 173.24 172.69 3d40 s ARG 17 N -3.53 1.18 0.32 4.02 0.52 -1.26 -4.53 118.95 115.67 3d40 s ARG 17 Ca 0.19 -0.23 0.02 0.00 -0.52 0.00 0.00 55.73 55.19 3d40 s ARG 17 Cb -0.03 -1.07 0.59 0.00 0.52 0.00 0.00 34.95 34.97 3d40 s ARG 17 CO 0.11 -0.04 1.94 1.57 0.02 0.00 0.00 175.30 178.90 3d40 h LYS 18 N 7.09 0.91 -0.03 3.54 5.09 -1.96 -0.04 116.57 131.17 3d40 h LYS 18 Ca -0.35 -0.05 0.00 0.00 0.09 0.00 0.00 60.65 60.33 3d40 h LYS 18 Cb 1.17 -0.21 0.00 0.00 0.10 0.00 0.00 32.23 33.29 3d40 h LYS 18 CO 0.47 0.60 0.00 -0.40 -2.09 0.00 0.00 179.45 178.04 3d40 n ASP 19 N -4.47 0.19 -3.22 7.07 3.85 -1.26 -3.80 116.55 114.91 3d40 n ASP 19 Ca 0.12 -1.90 -0.24 0.00 -0.71 0.00 0.00 54.79 52.05 3d40 n ASP 19 Cb 0.17 -0.02 -0.07 0.00 -1.35 0.00 0.00 41.12 39.85 3d40 n ASP 19 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3d40 n GLU 20 N -0.45 0.76 -1.87 0.11 1.02 -0.03 -5.13 120.64 115.06 3d40 n GLU 20 Ca 0.04 -3.29 -0.41 0.00 -0.02 0.00 0.00 57.16 53.47 3d40 n GLU 20 Cb 0.04 -1.31 -0.01 0.00 -0.02 0.00 0.00 31.44 30.14 3d40 n GLU 20 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3d40 s PRO 21 N -1.13 4.17 0.00 3.49 0.04 -1.25 -2.48 135.00 137.84 3d40 s PRO 21 Ca 0.35 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.87 3d40 s PRO 21 Cb 0.16 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.68 3d40 s PRO 21 CO -0.11 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 176.84 3d40 n GLY 22 N 1.24 2.98 3.80 0.56 0.00 -1.26 -4.99 105.19 107.51 3d40 n GLY 22 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3d40 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d40 s SER 23 N -1.62 7.13 0.16 1.61 0.01 -1.04 -5.08 113.70 114.88 3d40 s SER 23 Ca 0.00 1.34 0.07 0.00 1.31 0.00 0.00 55.95 58.67 3d40 s SER 23 Cb 0.00 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 3d40 s SER 23 CO 0.00 0.24 -0.01 -0.76 0.41 0.00 0.00 173.24 173.12 3d40 s LEU 24 N -1.00 3.30 -0.64 2.44 1.43 -1.26 -4.41 118.68 118.54 3d40 s LEU 24 Ca 0.31 -0.38 -0.25 0.00 -1.03 0.00 0.00 54.13 52.78 3d40 s LEU 24 Cb -0.20 -1.97 0.05 0.00 0.03 0.00 0.00 46.19 44.10 3d40 s LEU 24 CO 0.20 0.10 1.06 -0.62 0.23 0.00 0.00 176.35 177.33 3d40 s ASP 25 N -2.83 6.24 0.38 2.29 -1.08 0.84 -4.91 116.67 117.61 3d40 s ASP 25 Ca 0.27 -0.57 0.07 0.00 -0.52 0.00 0.00 52.55 51.80 3d40 s ASP 25 Cb -0.10 -2.47 0.75 0.00 -1.46 0.00 0.00 42.92 39.64 3d40 s ASP 25 CO 0.18 -1.49 1.94 -0.78 0.52 0.00 0.00 175.17 175.54 3d40 h ASP 26 N 9.62 0.37 -0.64 -0.34 3.58 -1.98 -1.60 116.42 125.42 3d40 h ASP 26 Ca -0.27 -0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.08 3d40 h ASP 26 Cb 1.06 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.99 3d40 h ASP 26 CO 1.18 0.43 0.25 -0.78 -2.88 0.00 0.00 179.24 177.44 3d40 h ASP 27 N 0.39 0.89 -0.26 2.28 3.58 -1.98 0.01 116.42 121.33 3d40 h ASP 27 Ca 0.09 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.35 3d40 h ASP 27 Cb 0.25 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 3d40 h ASP 27 CO 0.01 0.82 0.09 0.00 -2.88 0.00 0.00 179.24 177.27 3d40 h ALA 28 N 1.10 0.34 -0.50 -0.78 0.00 -1.71 -0.99 119.26 116.73 3d40 h ALA 28 Ca 0.21 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3d40 h ALA 28 Cb 0.21 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3d40 h ALA 28 CO -0.02 -0.04 0.29 0.28 0.00 0.00 0.00 179.25 179.77 3d40 h VAL 29 N 0.26 1.04 -0.11 0.00 2.07 -1.18 0.68 116.25 119.01 3d40 h VAL 29 Ca 0.08 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3d40 h VAL 29 Cb 0.23 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3d40 h VAL 29 CO -0.00 0.11 0.06 0.74 0.02 0.00 0.00 177.57 178.49 3d40 h THR 30 N 0.58 1.08 -0.36 2.57 2.02 -0.74 0.11 112.91 118.16 3d40 h THR 30 Ca 0.20 -0.22 -0.10 0.00 0.77 0.00 0.00 66.41 67.06 3d40 h THR 30 Cb 0.04 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3d40 h THR 30 CO -0.10 0.07 -0.15 0.03 0.37 0.00 0.00 175.52 175.74 3d40 h ARG 31 N 0.09 0.75 -0.76 6.66 3.08 -0.98 -2.48 114.38 120.73 3d40 h ARG 31 Ca 0.04 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.77 3d40 h ARG 31 Cb 0.06 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 3d40 h ARG 31 CO -0.01 0.93 0.47 0.74 -1.07 0.00 0.00 179.97 181.03 3d40 h PHE 32 N 0.54 0.99 -0.95 3.04 0.05 -0.75 -2.88 116.94 116.98 3d40 h PHE 32 Ca 0.08 0.00 0.03 0.00 3.82 0.00 0.00 57.97 61.91 3d40 h PHE 32 Cb 0.69 -0.33 -0.05 0.00 2.00 0.00 0.00 35.95 38.26 3d40 h PHE 32 CO 0.06 0.66 0.63 0.00 -0.18 0.00 0.00 178.31 179.47 3d40 h ALA 33 N 1.25 1.37 -0.94 2.45 0.00 -0.54 0.13 119.26 122.98 3d40 h ALA 33 Ca 0.27 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3d40 h ALA 33 Cb -0.06 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.33 3d40 h ALA 33 CO -0.05 0.55 0.62 -0.09 0.00 0.00 0.00 179.25 180.28 3d40 h ARG 34 N 1.23 1.21 -0.20 0.00 2.43 -1.23 0.10 114.38 117.91 3d40 h ARG 34 Ca 0.37 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 59.28 3d40 h ARG 34 Cb -0.04 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.24 3d40 h ARG 34 CO -0.10 0.80 -0.62 -0.91 -1.51 0.00 0.00 179.97 177.62 3d40 h ASN 35 N 1.24 0.78 0.14 -3.80 2.35 -0.93 -2.86 115.58 112.50 3d40 h ASN 35 Ca 0.35 -0.45 -0.11 0.00 -0.55 0.00 0.00 56.30 55.54 3d40 h ASN 35 Cb -0.10 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.03 3d40 h ASN 35 CO -0.09 1.22 -0.40 -0.26 -1.65 0.00 0.00 177.43 176.25 3d40 h PHE 36 N 0.51 0.41 -0.88 1.19 0.05 -0.50 -2.79 116.94 114.92 3d40 h PHE 36 Ca -0.01 -0.11 0.02 0.00 3.82 0.00 0.00 57.97 61.69 3d40 h PHE 36 Cb 1.21 -0.09 -0.05 0.00 2.00 0.00 0.00 35.95 39.02 3d40 h PHE 36 CO 0.06 0.70 0.58 0.00 -0.18 0.00 0.00 178.31 179.47 3d40 h ALA 37 N 1.29 1.15 -0.53 2.45 0.00 -0.71 -0.14 119.26 122.77 3d40 h ALA 37 Ca 0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3d40 h ALA 37 Cb 0.83 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3d40 h ALA 37 CO 0.07 0.46 0.21 0.00 0.00 0.00 0.00 179.25 179.99 3d40 h ARG 38 N 1.14 0.79 -0.82 0.00 3.08 -1.27 -2.01 114.38 115.29 3d40 h ARG 38 Ca 0.34 -0.15 0.05 0.00 0.07 0.00 0.00 59.98 60.30 3d40 h ARG 38 Cb -0.05 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 29.82 3d40 h ARG 38 CO -0.10 0.70 0.51 -0.07 -1.07 0.00 0.00 179.97 179.94 3d40 h LEU 39 N 0.72 0.81 -1.38 3.04 3.38 -1.27 -2.77 115.31 117.84 3d40 h LEU 39 Ca 0.18 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3d40 h LEU 39 Cb 0.20 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3d40 h LEU 39 CO -0.01 0.54 -0.25 0.00 0.09 0.00 0.00 178.44 178.81 3d40 h ALA 40 N 1.37 1.49 -0.12 1.53 0.00 -0.52 0.12 119.26 123.14 3d40 h ALA 40 Ca 0.35 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3d40 h ALA 40 Cb 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3d40 h ALA 40 CO -0.15 0.37 0.07 0.93 0.00 0.00 0.00 179.25 180.47 3d40 h GLU 41 N 0.09 0.16 -0.03 0.00 5.08 -1.09 -2.22 114.58 116.57 3d40 h GLU 41 Ca 0.01 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 3d40 h GLU 41 Cb 0.49 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3d40 h GLU 41 CO 0.03 0.15 -0.21 1.15 -1.00 0.00 0.00 179.01 179.13 3d40 h THR 42 N 0.13 1.48 -0.80 1.13 2.02 -1.38 -3.25 112.91 112.23 3d40 h THR 42 Ca 0.04 -1.73 -0.49 0.00 0.77 0.00 0.00 66.41 65.00 3d40 h THR 42 Cb 0.03 2.51 -0.13 0.00 -1.74 0.00 0.00 68.15 68.81 3d40 h THR 42 CO -0.01 0.48 0.78 -1.22 0.37 0.00 0.00 175.52 175.93 3d40 n TYR 43 N -4.54 1.49 -2.17 3.16 4.02 0.38 -4.97 117.16 114.53 3d40 n TYR 43 Ca -0.09 -2.07 -0.42 0.00 -0.01 0.00 0.00 57.90 55.31 3d40 n TYR 43 Cb 0.45 -1.57 -0.03 0.00 -0.02 0.00 0.00 39.34 38.18 3d40 n TYR 43 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3d40 s ARG 44 N -0.84 4.20 0.00 -0.72 3.52 -0.84 -2.15 118.95 122.12 3d40 s ARG 44 Ca 0.60 1.98 0.00 0.00 -0.13 0.00 0.00 55.73 58.18 3d40 s ARG 44 Cb 0.32 -3.88 0.00 0.00 -1.56 0.00 0.00 34.95 29.83 3d40 s ARG 44 CO -0.15 -0.78 0.00 0.41 -0.81 0.00 0.00 175.30 173.97 3d40 n GLY 45 N 3.91 0.60 1.05 8.12 0.00 -1.25 -4.83 105.19 112.79 3d40 n GLY 45 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 3d40 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d40 n ARG 46 N -1.97 0.62 -3.71 1.61 1.74 -0.91 -4.62 116.66 109.42 3d40 n ARG 46 Ca 0.00 -2.43 -0.14 0.00 -0.77 0.00 0.00 57.85 54.51 3d40 n ARG 46 Cb 0.05 -0.68 -0.09 0.00 -1.02 0.00 0.00 32.46 30.73 3d40 n ARG 46 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 3d40 s MET 47 N -1.28 0.67 0.06 5.56 1.75 -1.22 -1.04 119.30 123.81 3d40 s MET 47 Ca 0.33 0.20 0.07 0.00 -1.25 0.00 0.00 55.69 55.04 3d40 s MET 47 Cb 0.35 0.31 -0.03 0.00 2.84 0.00 0.00 34.83 38.31 3d40 s MET 47 CO -0.11 -0.16 -0.20 0.14 -0.65 0.00 0.00 175.02 174.04 3d40 s VAL 48 N -0.69 1.58 -0.19 10.11 -7.23 -0.49 -4.30 120.40 119.18 3d40 s VAL 48 Ca -0.08 -1.30 -0.07 0.00 -1.81 0.00 0.00 61.98 58.73 3d40 s VAL 48 Cb -0.04 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 3d40 s VAL 48 CO 0.04 0.07 0.05 -0.22 -0.31 0.00 0.00 175.10 174.72 3d40 s LEU 49 N -1.45 3.64 -0.20 1.32 2.96 -0.91 -1.76 118.68 122.28 3d40 s LEU 49 Ca 0.06 -0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 53.93 3d40 s LEU 49 Cb -0.09 -1.92 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 3d40 s LEU 49 CO 0.03 0.13 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.48 3d40 s ILE 50 N 0.62 3.15 -0.09 6.68 1.01 0.49 -0.57 121.20 132.48 3d40 s ILE 50 Ca 0.02 -0.58 -0.16 0.00 0.00 0.00 0.00 60.65 59.94 3d40 s ILE 50 Cb -0.13 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 3d40 s ILE 50 CO 0.02 0.46 0.40 -0.55 0.00 0.00 0.00 174.94 175.26 3d40 s SER 51 N 1.22 6.64 0.47 3.58 0.15 0.27 -1.01 113.70 125.01 3d40 s SER 51 Ca 0.02 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.44 3d40 s SER 51 Cb -0.14 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 3d40 s SER 51 CO -0.03 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.16 3d40 n GLY 52 N 2.84 -1.02 7.00 9.45 0.00 0.23 -3.97 105.19 119.73 3d40 n GLY 52 Ca -0.11 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3d40 n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d40 n GLY 53 N 4.83 -1.60 2.63 -0.02 0.00 -1.26 -4.54 105.19 105.24 3d40 n GLY 53 Ca 0.00 -1.29 -0.16 0.00 0.00 0.00 0.00 46.02 44.57 3d40 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d40 n GLY 54 N 0.00 -0.17 3.74 -0.02 0.00 -1.26 -4.85 105.19 102.63 3d40 n GLY 54 Ca 0.00 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 3d40 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d40 s ALA 55 N -2.99 2.20 0.00 4.61 0.00 -1.26 -3.66 121.76 120.66 3d40 s ALA 55 Ca 0.21 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.82 3d40 s ALA 55 Cb -0.09 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3d40 s ALA 55 CO 0.26 -1.73 0.00 0.34 0.00 0.00 0.00 175.76 174.63 3d40 n PHE 56 N -2.87 0.00 0.00 0.00 7.35 -1.26 -4.94 117.46 115.74 3d40 n PHE 56 Ca 0.12 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.81 3d40 n PHE 56 Cb 0.51 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.34 3d40 n PHE 56 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3d40 n ALA 69 N -3.00 0.00 -0.12 3.13 0.00 -1.26 -5.07 120.51 114.19 3d40 n ALA 69 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3d40 n ALA 69 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 3d40 n ALA 69 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3d40 n PHE 70 N -2.10 0.05 0.25 0.00 7.35 -1.26 -4.65 117.46 117.10 3d40 n PHE 70 Ca 0.00 -0.55 0.11 0.00 -0.76 0.00 0.00 57.45 56.26 3d40 n PHE 70 Cb 0.00 -0.06 0.64 0.00 0.35 0.00 0.00 39.48 40.41 3d40 n PHE 70 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3d40 h SER 71 N 0.20 0.00 0.00 -2.13 4.64 -2.05 -0.48 113.55 113.74 3d40 h SER 71 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d40 h SER 71 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3d40 h SER 71 CO 0.00 0.16 0.04 0.25 -0.87 0.00 0.00 176.83 176.42 3d40 h LEU 72 N 0.00 0.00 -1.97 5.97 5.85 -1.96 -1.30 115.31 121.90 3d40 h LEU 72 Ca -0.00 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.83 3d40 h LEU 72 Cb 0.46 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3d40 h LEU 72 CO 0.02 0.00 0.29 0.00 -0.34 0.00 0.00 178.44 178.41 3d40 h ALA 73 N 1.89 2.35 0.00 1.25 0.00 -1.44 0.05 119.26 123.36 3d40 h ALA 73 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3d40 h ALA 73 Cb 0.09 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3d40 h ALA 73 CO 0.00 -0.46 -0.02 0.78 0.00 0.00 0.00 179.25 179.55 3d40 h GLY 74 N 0.03 0.00 1.20 0.00 0.00 -1.45 -1.26 103.07 101.59 3d40 h GLY 74 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.54 3d40 h GLY 74 CO -0.01 0.00 0.53 -2.00 0.00 0.00 0.00 176.54 175.06 3d40 h LEU 75 N 0.00 0.90 -1.29 3.11 5.85 -1.19 -0.76 115.31 121.94 3d40 h LEU 75 Ca -0.00 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 3d40 h LEU 75 Cb 0.07 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3d40 h LEU 75 CO 0.00 0.65 -0.02 0.00 -0.34 0.00 0.00 178.44 178.73 3d40 h THR 76 N 1.06 1.19 -0.13 1.05 1.03 -1.36 0.17 112.91 115.92 3d40 h THR 76 Ca 0.29 -0.75 -0.20 0.00 -0.01 0.00 0.00 66.41 65.75 3d40 h THR 76 Cb -0.10 0.98 0.01 0.00 -1.07 0.00 0.00 68.15 67.97 3d40 h THR 76 CO -0.07 0.25 -0.68 -0.33 -0.01 0.00 0.00 175.52 174.68 3d40 h GLU 77 N 0.44 0.69 -0.50 0.00 5.08 -1.52 -1.66 114.58 117.11 3d40 h GLU 77 Ca 0.10 -0.57 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 3d40 h GLU 77 Cb 0.32 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3d40 h GLU 77 CO 0.01 1.18 0.19 0.00 -1.00 0.00 0.00 179.01 179.39 3d40 h ALA 78 N 0.51 0.65 0.00 3.43 0.00 -0.67 -2.41 119.26 120.77 3d40 h ALA 78 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3d40 h ALA 78 Cb 1.32 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3d40 h ALA 78 CO 0.14 0.28 -0.07 1.79 0.00 0.00 0.00 179.25 181.38 3d40 h THR 79 N 0.67 0.00 -0.68 0.00 1.35 -1.02 -2.85 112.91 110.38 3d40 h THR 79 Ca 0.17 -0.71 -0.06 0.00 -0.55 0.00 0.00 66.41 65.27 3d40 h THR 79 Cb 0.22 1.66 -0.03 0.00 -1.73 0.00 0.00 68.15 68.27 3d40 h THR 79 CO -0.01 0.00 0.21 0.15 -0.25 0.00 0.00 175.52 175.62 3d40 h PHE 80 N 0.00 1.10 -0.85 4.73 3.57 -0.92 -2.53 116.94 122.05 3d40 h PHE 80 Ca 0.00 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.40 3d40 h PHE 80 Cb 0.85 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 3d40 h PHE 80 CO 0.00 0.89 0.56 1.49 -2.23 0.00 0.00 178.31 179.02 3d40 h GLU 81 N 1.00 1.11 -0.33 1.11 4.57 -1.21 -0.15 114.58 120.68 3d40 h GLU 81 Ca 0.22 -0.07 -0.11 0.00 -1.18 0.00 0.00 59.36 58.23 3d40 h GLU 81 Cb 0.30 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 3d40 h GLU 81 CO -0.01 0.74 -0.23 -0.24 -1.18 0.00 0.00 179.01 178.09 3d40 h VAL 82 N 1.15 1.27 -0.62 0.32 3.04 -1.44 -0.91 116.25 119.06 3d40 h VAL 82 Ca 0.31 -1.31 -0.05 0.00 -1.01 0.00 0.00 66.70 64.64 3d40 h VAL 82 Cb -0.13 1.27 -0.03 0.00 -2.01 0.00 0.00 31.29 30.39 3d40 h VAL 82 CO -0.07 0.43 0.18 0.11 -1.01 0.00 0.00 177.57 177.21 3d40 h LYS 83 N 0.57 0.98 -0.67 4.17 1.57 -0.95 -2.35 116.57 119.89 3d40 h LYS 83 Ca 0.08 -0.22 0.05 0.00 -1.87 0.00 0.00 60.65 58.69 3d40 h LYS 83 Cb 0.70 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 3d40 h LYS 83 CO 0.05 0.87 0.39 -0.22 -0.57 0.00 0.00 179.45 179.98 3d40 h LYS 84 N 0.90 0.71 -0.75 3.15 3.64 -0.74 0.70 116.57 124.18 3d40 h LYS 84 Ca 0.20 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3d40 h LYS 84 Cb 0.31 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 3d40 h LYS 84 CO -0.00 0.47 0.44 0.00 -2.27 0.00 0.00 179.45 178.09 3d40 h ARG 85 N 0.74 1.04 -0.30 1.90 2.47 -0.81 0.68 114.38 120.09 3d40 h ARG 85 Ca 0.29 -0.11 -0.13 0.00 -1.26 0.00 0.00 59.98 58.77 3d40 h ARG 85 Cb 0.13 -0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 28.23 3d40 h ARG 85 CO -0.15 0.75 -0.32 -1.49 0.56 0.00 0.00 179.97 179.31 3d40 h TRP 86 N 1.04 0.91 -0.62 3.04 4.06 -1.15 -2.61 115.95 120.61 3d40 h TRP 86 Ca 0.27 -0.28 -0.09 0.00 2.06 0.00 0.00 58.89 60.85 3d40 h TRP 86 Cb -0.01 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 27.94 3d40 h TRP 86 CO -0.01 1.05 0.03 0.00 -3.56 0.00 0.00 178.44 175.95 3d40 h ALA 87 N 0.71 0.88 -0.57 1.49 0.00 -0.50 -0.61 119.26 120.65 3d40 h ALA 87 Ca 0.05 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.66 3d40 h ALA 87 Cb 0.90 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3d40 h ALA 87 CO 0.08 0.67 0.38 0.93 0.00 0.00 0.00 179.25 181.30 3d40 h GLU 88 N 0.98 0.76 -0.46 0.00 5.08 -0.91 0.45 114.58 120.47 3d40 h GLU 88 Ca 0.18 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3d40 h GLU 88 Cb 0.52 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3d40 h GLU 88 CO 0.03 0.50 0.12 -0.22 -1.00 0.00 0.00 179.01 178.44 3d40 h LYS 89 N 0.78 0.73 -0.56 2.33 1.63 -1.10 -1.53 116.57 118.84 3d40 h LYS 89 Ca 0.21 -0.17 -0.11 0.00 -0.85 0.00 0.00 60.65 59.73 3d40 h LYS 89 Cb -0.09 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.42 3d40 h LYS 89 CO -0.05 0.71 -0.07 -0.07 -3.45 0.00 0.00 179.45 176.53 3d40 h LEU 90 N 0.61 1.04 -1.49 5.20 3.38 -0.86 -2.36 115.31 120.83 3d40 h LEU 90 Ca 0.15 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3d40 h LEU 90 Cb 0.30 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3d40 h LEU 90 CO -0.00 1.13 0.06 0.03 0.09 0.00 0.00 178.44 179.75 3d40 h ARG 91 N 0.93 0.39 -0.21 1.13 3.08 -0.75 -1.52 114.38 117.43 3d40 h ARG 91 Ca 0.15 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.21 3d40 h ARG 91 Cb 0.64 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 3d40 h ARG 91 CO 0.04 0.38 0.19 0.78 -1.07 0.00 0.00 179.97 180.29 3d40 h GLY 92 N 0.62 0.00 -1.79 0.04 0.00 -0.74 -1.71 103.07 99.50 3d40 h GLY 92 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 3d40 h GLY 92 CO -0.00 0.00 0.01 0.29 0.00 0.00 0.00 176.54 176.83 3d40 n ILE 93 N -4.04 2.36 -0.23 2.60 -5.35 -0.67 -4.98 119.36 109.04 3d40 n ILE 93 Ca 0.02 -1.92 0.00 0.00 -0.27 0.00 0.00 62.75 60.59 3d40 n ILE 93 Cb 0.33 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 37.96 3d40 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3d40 n GLY 94 N -0.50 0.88 3.82 3.28 0.00 -0.64 -5.06 105.19 106.96 3d40 n GLY 94 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 3d40 n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d40 s VAL 95 N -2.01 5.19 -1.40 1.61 1.01 -0.66 -4.98 120.40 119.15 3d40 s VAL 95 Ca 0.00 0.67 -0.14 0.00 0.00 0.00 0.00 61.98 62.51 3d40 s VAL 95 Cb 0.00 -3.64 0.07 0.00 0.00 0.00 0.00 36.38 32.81 3d40 s VAL 95 CO 0.00 0.54 2.07 0.47 0.00 0.00 0.00 175.10 178.17 3d40 n ASP 96 N 2.30 4.27 -4.71 3.32 8.00 -1.26 -3.52 116.55 124.96 3d40 n ASP 96 Ca -0.14 -2.90 -0.38 0.00 0.71 0.00 0.00 54.79 52.08 3d40 n ASP 96 Cb 0.53 -1.65 -0.07 0.00 -0.02 0.00 0.00 41.12 39.92 3d40 n ASP 96 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d40 s ALA 97 N 2.92 3.52 -0.10 2.24 0.00 -1.26 -0.62 121.76 128.46 3d40 s ALA 97 Ca 0.47 -0.33 -0.01 0.00 0.00 0.00 0.00 51.96 52.10 3d40 s ALA 97 Cb 0.11 -2.60 0.03 0.00 0.00 0.00 0.00 23.12 20.66 3d40 s ALA 97 CO -0.04 -0.06 -0.03 0.12 0.00 0.00 0.00 175.76 175.74 3d40 s PHE 98 N 0.78 1.08 0.25 0.00 5.36 -0.42 -4.83 117.98 120.20 3d40 s PHE 98 Ca 0.22 -0.47 -0.30 0.00 -0.96 0.00 0.00 56.93 55.43 3d40 s PHE 98 Cb -0.15 -1.02 -0.09 0.00 -0.34 0.00 0.00 43.02 41.43 3d40 s PHE 98 CO 0.08 -0.43 1.04 -1.25 -1.46 0.00 0.00 175.22 173.20 3d40 s PRO 99 N 1.84 4.71 -0.08 10.12 0.04 -1.26 -1.22 135.00 149.16 3d40 s PRO 99 Ca 0.05 1.67 0.01 0.00 0.04 0.00 0.00 61.00 62.77 3d40 s PRO 99 Cb -0.13 -3.24 0.02 0.00 0.04 0.00 0.00 34.50 31.19 3d40 s PRO 99 CO -0.07 0.30 -0.10 -0.51 0.04 0.00 0.00 177.00 176.66 3d40 s LEU 100 N -1.17 1.49 -0.40 -3.56 1.43 -0.46 -4.88 118.68 111.13 3d40 s LEU 100 Ca 0.44 -0.29 -0.28 0.00 -1.03 0.00 0.00 54.13 52.97 3d40 s LEU 100 Cb -0.29 -0.80 -0.00 0.00 0.03 0.00 0.00 46.19 45.12 3d40 s LEU 100 CO 0.37 -0.02 1.60 -1.58 0.23 0.00 0.00 176.35 176.95 3d40 s GLN 101 N 0.99 3.40 0.42 1.70 0.74 -1.26 -4.65 119.66 121.00 3d40 s GLN 101 Ca -0.09 1.10 0.11 0.00 0.05 0.00 0.00 55.36 56.53 3d40 s GLN 101 Cb -0.15 -4.12 0.95 0.00 1.10 0.00 0.00 33.01 30.79 3d40 s GLN 101 CO -0.00 -1.78 2.00 1.25 -0.55 0.00 0.00 175.29 176.21 3d40 h LEU 102 N 13.12 0.43 -2.36 3.68 5.85 -1.90 -1.54 115.31 132.59 3d40 h LEU 102 Ca -0.30 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 3d40 h LEU 102 Cb 1.13 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 3d40 h LEU 102 CO 1.08 0.28 -0.04 0.00 -0.34 0.00 0.00 178.44 179.42 3d40 h ALA 103 N 1.70 1.28 -0.01 1.25 0.00 -1.82 0.65 119.26 122.32 3d40 h ALA 103 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3d40 h ALA 103 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3d40 h ALA 103 CO -0.07 0.05 -0.12 0.00 0.00 0.00 0.00 179.25 179.11 3d40 n ALA 104 N -2.23 2.81 0.00 0.00 0.00 -0.58 -4.21 120.51 116.29 3d40 n ALA 104 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3d40 n ALA 104 Cb 0.14 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3d40 n ALA 104 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3d40 n MET 105 N -0.74 5.08 -3.74 0.00 2.00 0.07 -4.81 117.12 114.99 3d40 n MET 105 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.73 3d40 n MET 105 Cb 0.29 -0.47 -0.11 0.00 0.00 0.00 0.00 33.22 32.94 3d40 n MET 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3d40 s THR 107 N 0.49 0.94 -0.09 0.00 -4.23 -0.76 -4.61 115.64 107.39 3d40 s THR 107 Ca -0.02 -2.01 -0.07 0.00 -1.18 0.00 0.00 61.69 58.41 3d40 s THR 107 Cb -0.04 -2.63 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 3d40 s THR 107 CO -0.03 -0.08 0.17 -0.76 -0.54 0.00 0.00 174.62 173.38 3d40 s LEU 108 N -3.38 4.39 -0.05 4.79 1.43 0.41 0.15 118.68 126.41 3d40 s LEU 108 Ca 0.35 0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 53.91 3d40 s LEU 108 Cb 0.08 -2.22 0.03 0.00 0.03 0.00 0.00 46.19 44.11 3d40 s LEU 108 CO 0.13 0.37 0.05 -0.60 0.23 0.00 0.00 176.35 176.54 3d40 s ARG 109 N -1.21 0.03 -1.46 1.70 3.52 -0.38 -2.14 118.95 119.01 3d40 s ARG 109 Ca 0.18 0.30 -0.09 0.00 -0.13 0.00 0.00 55.73 56.00 3d40 s ARG 109 Cb -0.12 -0.68 0.03 0.00 -1.56 0.00 0.00 34.95 32.62 3d40 s ARG 109 CO 0.08 -0.35 0.86 0.09 -0.81 0.00 0.00 175.30 175.16 3d40 n ASN 110 N 5.27 -5.68 0.00 -2.12 3.02 -1.26 -1.17 115.26 113.33 3d40 n ASN 110 Ca -0.04 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 3d40 n ASN 110 Cb 0.50 -4.54 0.00 0.00 -0.61 0.00 0.00 39.78 35.12 3d40 n ASN 110 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d40 n GLY 111 N -1.68 1.19 3.64 7.41 0.00 -1.26 -5.01 105.19 109.49 3d40 n GLY 111 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3d40 n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d40 s ILE 112 N -3.32 4.86 0.31 -0.61 1.01 -0.31 -5.04 121.20 118.09 3d40 s ILE 112 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.35 3d40 s ILE 112 Cb 0.00 -3.19 -0.10 0.00 0.01 0.00 0.00 42.46 39.18 3d40 s ILE 112 CO 0.00 0.46 1.31 -2.16 0.00 0.00 0.00 174.94 174.55 3d40 s PRO 113 N 0.38 4.36 -0.14 2.79 0.04 -1.26 -1.25 135.00 139.92 3d40 s PRO 113 Ca 0.04 2.20 0.01 0.00 0.04 0.00 0.00 61.00 63.28 3d40 s PRO 113 Cb -0.12 -3.09 0.02 0.00 0.04 0.00 0.00 34.50 31.35 3d40 s PRO 113 CO -0.00 -0.20 -0.14 -0.65 0.04 0.00 0.00 177.00 176.05 3d40 s GLN 114 N -1.55 2.26 -0.10 4.56 -1.52 0.12 -4.90 119.66 118.53 3d40 s GLN 114 Ca 0.50 -0.55 -0.30 0.00 -1.95 0.00 0.00 55.36 53.07 3d40 s GLN 114 Cb -0.39 -2.04 -0.03 0.00 -0.22 0.00 0.00 33.01 30.33 3d40 s GLN 114 CO 0.51 -0.20 1.23 -1.17 -0.25 0.00 0.00 175.29 175.41 3d40 s LEU 115 N 1.38 4.24 0.00 2.90 0.20 -1.26 -1.83 118.68 124.31 3d40 s LEU 115 Ca 0.02 1.78 0.00 0.00 0.69 0.00 0.00 54.13 56.62 3d40 s LEU 115 Cb -0.13 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.08 3d40 s LEU 115 CO -0.08 -0.66 0.61 0.54 -0.29 0.00 0.00 176.35 176.47 3d40 n ARG 116 N 5.77 0.00 -4.86 1.98 5.12 0.16 -4.98 116.66 119.86 3d40 n ARG 116 Ca 0.12 -0.73 -0.26 0.00 -1.93 0.00 0.00 57.85 55.05 3d40 n ARG 116 Cb 0.46 -0.99 -0.16 0.00 -1.16 0.00 0.00 32.46 30.61 3d40 n ARG 116 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3d40 s SER 117 N -0.24 2.22 0.00 0.55 0.15 -1.02 -4.93 113.70 110.42 3d40 s SER 117 Ca 0.00 -0.36 0.30 0.00 0.70 0.00 0.00 55.95 56.59 3d40 s SER 117 Cb 0.00 -0.62 1.51 0.00 -1.71 0.00 0.00 66.02 65.21 3d40 s SER 117 CO 0.00 0.16 2.05 -0.62 1.20 0.00 0.00 173.24 176.03 3d40 n GLU 118 N 3.13 0.46 -0.22 5.44 1.02 -1.26 -4.10 120.64 125.10 3d40 n GLU 118 Ca -0.18 -0.01 -0.06 0.00 -0.02 0.00 0.00 57.16 56.88 3d40 n GLU 118 Cb 0.53 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.53 3d40 n GLU 118 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3d40 h VAL 119 N 0.04 1.26 -0.23 2.62 2.07 -1.98 -2.47 116.25 117.54 3d40 h VAL 119 Ca 0.00 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.59 3d40 h VAL 119 Cb 0.28 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3d40 h VAL 119 CO 0.00 0.36 0.07 0.25 0.02 0.00 0.00 177.57 178.27 3d40 h LEU 120 N 1.00 0.06 -0.78 2.57 5.85 -2.00 0.54 115.31 122.56 3d40 h LEU 120 Ca 0.21 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 3d40 h LEU 120 Cb 0.37 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 3d40 h LEU 120 CO 0.00 0.07 0.47 -0.09 -0.34 0.00 0.00 178.44 178.55 3d40 h ARG 121 N 0.17 1.06 -0.52 1.25 9.65 -1.83 -2.20 114.38 121.96 3d40 h ARG 121 Ca 0.10 -0.10 -0.03 0.00 -1.10 0.00 0.00 59.98 58.86 3d40 h ARG 121 Cb 0.08 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.41 3d40 h ARG 121 CO -0.12 0.75 0.22 -0.44 2.80 0.00 0.00 179.97 183.19 3d40 h ASP 122 N 1.07 0.70 -0.70 -3.80 5.19 -0.81 -0.05 116.42 118.03 3d40 h ASP 122 Ca 0.28 -0.15 0.01 0.00 -0.62 0.00 0.00 57.03 56.55 3d40 h ASP 122 Cb -0.04 -0.18 -0.04 0.00 0.18 0.00 0.00 39.33 39.25 3d40 h ASP 122 CO -0.05 0.66 0.46 0.58 -3.12 0.00 0.00 179.24 177.77 3d40 h VAL 123 N 0.70 1.16 -0.37 -1.35 2.07 -0.67 -0.52 116.25 117.26 3d40 h VAL 123 Ca 0.18 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3d40 h VAL 123 Cb 0.17 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 3d40 h VAL 123 CO -0.02 0.17 0.20 -0.07 0.02 0.00 0.00 177.57 177.88 3d40 h LEU 124 N 0.93 0.47 -1.85 2.57 3.38 -1.12 -2.28 115.31 117.40 3d40 h LEU 124 Ca 0.26 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3d40 h LEU 124 Cb -0.07 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3d40 h LEU 124 CO -0.07 0.42 -0.12 0.44 0.09 0.00 0.00 178.44 179.20 3d40 h ASP 125 N 0.48 0.00 0.58 -0.43 3.32 -0.33 0.13 116.42 120.17 3d40 h ASP 125 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3d40 h ASP 125 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3d40 h ASP 125 CO -0.02 0.12 0.00 1.41 -1.72 0.00 0.00 179.24 179.03 3d40 n HIS 126 N -4.12 0.00 -0.46 4.55 8.25 -0.26 -4.90 115.22 118.28 3d40 n HIS 126 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3d40 n HIS 126 Cb 0.21 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 30.94 3d40 n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d40 n GLY 127 N 0.75 0.77 3.95 -1.41 0.00 0.47 -5.00 105.19 104.71 3d40 n GLY 127 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 3d40 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d40 s ALA 128 N -2.09 3.42 -0.41 4.61 0.00 -0.89 -3.87 121.76 122.52 3d40 s ALA 128 Ca 0.00 -1.07 -0.07 0.00 0.00 0.00 0.00 51.96 50.82 3d40 s ALA 128 Cb 0.00 -2.42 0.08 0.00 0.00 0.00 0.00 23.12 20.79 3d40 s ALA 128 CO 0.00 -1.11 0.23 -1.17 0.00 0.00 0.00 175.76 173.71 3d40 s LEU 129 N -5.08 5.09 0.28 0.00 2.96 0.21 -4.10 118.68 118.04 3d40 s LEU 129 Ca 0.59 -1.60 -0.29 0.00 -0.22 0.00 0.00 54.13 52.61 3d40 s LEU 129 Cb -0.11 -1.94 -0.10 0.00 0.50 0.00 0.00 46.19 44.55 3d40 s LEU 129 CO 0.43 -0.52 1.37 -2.84 -1.32 0.00 0.00 176.35 173.46 3d40 s PRO 130 N 1.36 4.31 -0.22 0.98 0.02 -1.26 -1.30 135.00 138.90 3d40 s PRO 130 Ca 0.03 2.24 -0.04 0.00 0.02 0.00 0.00 61.00 63.25 3d40 s PRO 130 Cb -0.23 -3.10 -0.01 0.00 0.02 0.00 0.00 34.50 31.18 3d40 s PRO 130 CO 0.01 -0.31 -0.04 0.08 -0.33 0.00 0.00 177.00 176.40 3d40 s VAL 131 N -0.45 3.39 0.49 3.83 1.01 -0.35 -2.15 120.40 126.17 3d40 s VAL 131 Ca 0.55 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 62.08 3d40 s VAL 131 Cb -0.40 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 3d40 s VAL 131 CO 0.47 0.43 0.13 -0.76 0.00 0.00 0.00 175.10 175.36 3d40 s LEU 132 N 1.42 2.62 0.16 3.92 1.43 0.26 -1.36 118.68 127.15 3d40 s LEU 132 Ca 0.05 -1.41 -0.24 0.00 -1.03 0.00 0.00 54.13 51.49 3d40 s LEU 132 Cb -0.14 -0.99 0.07 0.00 0.03 0.00 0.00 46.19 45.15 3d40 s LEU 132 CO -0.03 -0.79 0.98 0.00 0.23 0.00 0.00 176.35 176.74 3d40 s ALA 133 N -2.78 -1.63 1.34 4.21 0.00 -1.26 -0.57 121.76 121.07 3d40 s ALA 133 Ca 0.23 0.01 -0.20 0.00 0.00 0.00 0.00 51.96 52.01 3d40 s ALA 133 Cb 0.02 0.66 0.34 0.00 0.00 0.00 0.00 23.12 24.14 3d40 s ALA 133 CO 0.13 -1.05 0.97 0.20 0.00 0.00 0.00 175.76 176.01 3d40 s GLY 134 N -3.04 1.46 0.11 0.00 0.00 -1.26 -4.73 107.32 99.86 3d40 s GLY 134 Ca 0.14 -0.64 -0.26 0.00 0.00 0.00 0.00 44.72 43.97 3d40 s GLY 134 CO 0.03 0.29 1.08 -0.35 0.00 0.00 0.00 173.10 174.15 3d40 s ASP 135 N -3.02 -0.09 -0.27 1.64 -1.08 -0.53 -4.81 116.67 108.51 3d40 s ASP 135 Ca 0.69 -0.40 -0.16 0.00 -0.52 0.00 0.00 52.55 52.15 3d40 s ASP 135 Cb -0.16 0.39 -0.03 0.00 -1.46 0.00 0.00 42.92 41.66 3d40 s ASP 135 CO 0.60 -0.74 0.44 0.00 0.52 0.00 0.00 175.17 175.99 3d40 s ALA 136 N -2.69 3.57 -0.05 3.66 0.00 -1.26 -0.14 121.76 124.84 3d40 s ALA 136 Ca 0.16 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.39 3d40 s ALA 136 Cb -0.00 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 3d40 s ALA 136 CO 0.01 -0.75 -0.10 -0.51 0.00 0.00 0.00 175.76 174.41 3d40 s LEU 137 N 2.20 2.97 0.34 0.00 1.43 -0.31 -4.58 118.68 120.72 3d40 s LEU 137 Ca 0.18 -0.11 -0.26 0.00 -1.03 0.00 0.00 54.13 52.90 3d40 s LEU 137 Cb -0.16 -1.64 -0.09 0.00 0.03 0.00 0.00 46.19 44.33 3d40 s LEU 137 CO 0.10 0.35 1.03 -0.36 0.23 0.00 0.00 176.35 177.70 3d40 s PHE 138 N -0.79 3.49 0.36 0.29 0.40 -1.26 -0.92 117.98 119.56 3d40 s PHE 138 Ca 0.12 1.71 0.04 0.00 -0.60 0.00 0.00 56.93 58.21 3d40 s PHE 138 Cb -0.11 -3.12 0.06 0.00 0.51 0.00 0.00 43.02 40.37 3d40 s PHE 138 CO 0.01 -0.36 0.50 -0.40 0.70 0.00 0.00 175.22 175.68 3d40 n ASP 139 N 0.52 1.14 0.02 1.36 5.68 -0.00 -0.45 116.55 124.82 3d40 n ASP 139 Ca 0.02 -1.85 0.08 0.00 -0.50 0.00 0.00 54.79 52.54 3d40 n ASP 139 Cb 0.48 -0.28 0.34 0.00 -1.14 0.00 0.00 41.12 40.52 3d40 n ASP 139 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3d40 n GLU 140 N -1.83 0.03 -0.10 0.11 0.00 -0.91 -1.67 120.64 116.28 3d40 n GLU 140 Ca 0.10 0.28 0.10 0.00 0.00 0.00 0.00 57.16 57.63 3d40 n GLU 140 Cb 0.35 -1.57 0.14 0.00 0.00 0.00 0.00 31.44 30.37 3d40 n GLU 140 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3d40 n HIS 141 N -1.63 0.27 -0.79 -1.84 8.25 -1.26 -4.97 115.22 113.24 3d40 n HIS 141 Ca 0.03 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 3d40 n HIS 141 Cb 0.18 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 3d40 n HIS 141 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d40 n GLY 142 N 1.15 0.64 3.77 -1.41 0.00 -0.67 -5.05 105.19 103.63 3d40 n GLY 142 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3d40 n GLY 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d40 s LYS 143 N -0.21 4.37 0.14 1.61 2.20 -1.26 -4.78 119.74 121.81 3d40 s LYS 143 Ca 0.00 0.86 -0.26 0.00 -0.36 0.00 0.00 55.97 56.22 3d40 s LYS 143 Cb 0.00 -3.32 -0.07 0.00 -1.51 0.00 0.00 37.83 32.93 3d40 s LYS 143 CO 0.00 0.42 0.79 -0.51 -0.36 0.00 0.00 175.35 175.69 3d40 s LEU 144 N -0.44 4.56 0.00 5.43 1.43 -1.26 -0.82 118.68 127.58 3d40 s LEU 144 Ca 0.33 1.63 0.05 0.00 -1.03 0.00 0.00 54.13 55.11 3d40 s LEU 144 Cb -0.20 -3.31 -0.01 0.00 0.03 0.00 0.00 46.19 42.70 3d40 s LEU 144 CO 0.20 0.15 -0.16 0.26 0.23 0.00 0.00 176.35 177.03 3d40 s TRP 145 N -0.85 1.43 -0.11 0.29 0.52 -0.09 -4.95 118.94 115.18 3d40 s TRP 145 Ca 0.37 -0.29 -0.30 0.00 0.02 0.00 0.00 56.10 55.91 3d40 s TRP 145 Cb -0.23 -0.90 -0.03 0.00 -1.15 0.00 0.00 33.47 31.16 3d40 s TRP 145 CO 0.26 -0.00 1.36 0.00 0.02 0.00 0.00 176.95 178.59 3d40 s ALA 146 N -0.49 3.63 -0.31 0.98 0.00 -1.26 -1.16 121.76 123.14 3d40 s ALA 146 Ca 0.06 0.63 -0.04 0.00 0.00 0.00 0.00 51.96 52.61 3d40 s ALA 146 Cb -0.07 -3.64 0.04 0.00 0.00 0.00 0.00 23.12 19.46 3d40 s ALA 146 CO -0.00 -1.15 0.05 0.12 0.00 0.00 0.00 175.76 174.78 3d40 s PHE 147 N 3.35 3.23 0.53 0.00 5.36 0.80 -4.97 117.98 126.27 3d40 s PHE 147 Ca 0.60 -1.53 -0.22 0.00 -0.96 0.00 0.00 56.93 54.82 3d40 s PHE 147 Cb -0.26 -2.19 -0.05 0.00 -0.34 0.00 0.00 43.02 40.17 3d40 s PHE 147 CO 0.20 -0.74 1.35 0.45 -1.46 0.00 0.00 175.22 175.03 3d40 s SER 148 N 1.36 5.42 0.50 6.13 0.15 -1.26 -1.46 113.70 124.53 3d40 s SER 148 Ca -0.02 2.75 0.25 0.00 0.70 0.00 0.00 55.95 59.62 3d40 s SER 148 Cb -0.19 -2.64 1.32 0.00 -1.71 0.00 0.00 66.02 62.80 3d40 s SER 148 CO 0.01 -1.47 1.92 0.77 1.20 0.00 0.00 173.24 175.67 3d40 h SER 149 N 1.62 0.14 0.46 5.45 4.64 -1.88 -0.37 113.55 123.61 3d40 h SER 149 Ca -0.51 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 3d40 h SER 149 Cb 1.29 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3d40 h SER 149 CO 0.58 0.06 -0.03 0.44 -0.87 0.00 0.00 176.83 177.01 3d40 h ASP 150 N 0.14 0.00 0.18 4.97 3.32 -1.94 -2.34 116.42 120.75 3d40 h ASP 150 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 3d40 h ASP 150 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3d40 h ASP 150 CO -0.05 0.03 -0.54 0.54 -1.72 0.00 0.00 179.24 177.50 3d40 n ARG 151 N -3.24 0.53 -0.08 3.56 1.74 -0.15 -4.43 116.66 114.58 3d40 n ARG 151 Ca -0.01 -0.38 0.06 0.00 -0.77 0.00 0.00 57.85 56.75 3d40 n ARG 151 Cb 0.20 -1.49 0.41 0.00 -1.02 0.00 0.00 32.46 30.56 3d40 n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3d40 h VAL 152 N 0.93 1.05 -0.25 1.55 2.07 -1.39 -0.56 116.25 119.65 3d40 h VAL 152 Ca 0.00 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.38 3d40 h VAL 152 Cb 0.56 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3d40 h VAL 152 CO 0.00 0.11 0.21 -0.65 0.02 0.00 0.00 177.57 177.26 3d40 h PRO 153 N 0.61 0.00 -0.39 1.57 0.11 -1.78 -0.58 132.00 131.54 3d40 h PRO 153 Ca 0.22 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.40 3d40 h PRO 153 Cb 0.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 3d40 h PRO 153 CO -0.06 0.00 0.27 0.93 -0.21 0.00 0.00 178.00 178.93 3d40 h GLU 154 N 0.00 0.25 0.00 1.05 5.08 -1.42 -1.61 114.58 117.93 3d40 h GLU 154 Ca 0.12 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3d40 h GLU 154 Cb 0.54 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3d40 h GLU 154 CO -0.00 0.17 -0.15 -0.39 -1.00 0.00 0.00 179.01 177.63 3d40 h VAL 155 N 0.26 0.43 0.00 3.13 -1.51 -1.23 -2.65 116.25 114.68 3d40 h VAL 155 Ca 0.17 -0.84 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 3d40 h VAL 155 Cb 0.36 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 3d40 h VAL 155 CO -0.03 0.15 0.00 0.18 -1.23 0.00 0.00 177.57 176.63 3d40 n LEU 156 N -3.37 0.43 -0.04 4.19 4.77 -0.61 -4.37 117.00 118.00 3d40 n LEU 156 Ca -0.00 0.54 -0.10 0.00 -0.03 0.00 0.00 56.01 56.42 3d40 n LEU 156 Cb 0.35 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3d40 n LEU 156 CO 0.31 -0.12 0.94 -0.07 -1.33 0.00 0.00 177.39 177.12 3d40 h LEU 157 N 0.00 0.18 -0.33 2.23 3.38 -1.55 -1.17 115.31 118.05 3d40 h LEU 157 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d40 h LEU 157 Cb 0.60 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3d40 h LEU 157 CO 0.00 0.14 0.00 -2.65 0.09 0.00 0.00 178.44 176.02 3d40 n PRO 158 N -4.98 0.12 -0.08 1.13 -0.02 -1.26 -3.89 135.00 126.02 3d40 n PRO 158 Ca -0.03 0.30 -0.05 0.00 -2.02 0.00 0.00 63.50 61.70 3d40 n PRO 158 Cb 0.04 -1.71 -0.16 0.00 -0.02 0.00 0.00 33.50 31.65 3d40 n PRO 158 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3d40 n MET 159 N -1.94 0.70 -2.99 -0.52 0.00 -0.55 -4.93 117.12 106.90 3d40 n MET 159 Ca 0.03 -0.05 -0.40 0.00 0.00 0.00 0.00 57.70 57.28 3d40 n MET 159 Cb 0.24 -1.52 -0.04 0.00 0.00 0.00 0.00 33.22 31.90 3d40 n MET 159 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3d40 s VAL 160 N -2.72 4.99 0.05 1.12 1.01 -0.60 -5.05 120.40 119.20 3d40 s VAL 160 Ca -0.09 1.51 -0.05 0.00 0.00 0.00 0.00 61.98 63.34 3d40 s VAL 160 Cb 0.08 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 3d40 s VAL 160 CO 0.84 0.18 0.29 -1.61 0.00 0.00 0.00 175.10 174.81 3d40 s GLU 161 N 1.22 3.58 2.56 2.72 0.41 -1.26 -4.95 118.70 122.97 3d40 s GLU 161 Ca 0.38 -0.11 0.00 0.00 -0.41 0.00 0.00 54.97 54.82 3d40 s GLU 161 Cb -0.18 -3.02 0.00 0.00 -1.78 0.00 0.00 34.13 29.16 3d40 s GLU 161 CO 0.17 0.60 0.00 0.41 -0.49 0.00 0.00 175.26 175.94 3d40 n GLY 162 N 0.75 -0.53 3.52 -1.39 0.00 -1.26 -4.79 105.19 101.50 3d40 n GLY 162 Ca -0.08 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 3d40 n GLY 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d40 s ARG 163 N 0.00 3.33 -0.17 1.61 0.52 -1.26 -4.94 118.95 118.04 3d40 s ARG 163 Ca 0.00 -0.38 -0.18 0.00 -0.52 0.00 0.00 55.73 54.65 3d40 s ARG 163 Cb 0.00 -3.92 -0.04 0.00 0.52 0.00 0.00 34.95 31.51 3d40 s ARG 163 CO 0.00 -0.90 0.51 -1.17 0.02 0.00 0.00 175.30 173.75 3d40 s LEU 164 N 2.62 4.20 -0.17 2.53 2.96 -1.26 -0.08 118.68 129.48 3d40 s LEU 164 Ca 0.20 0.74 -0.05 0.00 -0.22 0.00 0.00 54.13 54.80 3d40 s LEU 164 Cb -0.15 -2.72 -0.03 0.00 0.50 0.00 0.00 46.19 43.80 3d40 s LEU 164 CO 0.17 -0.11 0.01 -0.60 -1.32 0.00 0.00 176.35 174.49 3d40 s ARG 165 N 1.25 3.76 -0.15 1.98 3.52 0.02 -1.08 118.95 128.25 3d40 s ARG 165 Ca 0.25 -0.46 -0.01 0.00 -0.13 0.00 0.00 55.73 55.38 3d40 s ARG 165 Cb -0.15 -3.06 -0.01 0.00 -1.56 0.00 0.00 34.95 30.17 3d40 s ARG 165 CO 0.10 0.20 -0.11 0.08 -0.81 0.00 0.00 175.30 174.76 3d40 s VAL 166 N 0.51 3.12 -0.13 7.11 1.01 -0.08 -0.96 120.40 130.98 3d40 s VAL 166 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3d40 s VAL 166 Cb -0.14 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.92 3d40 s VAL 166 CO 0.02 0.50 -0.12 -0.69 0.00 0.00 0.00 175.10 174.81 3d40 s VAL 167 N 0.65 1.38 -0.34 2.92 1.01 -0.14 -0.73 120.40 125.14 3d40 s VAL 167 Ca -0.06 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 3d40 s VAL 167 Cb -0.15 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 34.93 3d40 s VAL 167 CO 0.03 0.43 0.16 -0.89 0.00 0.00 0.00 175.10 174.83 3d40 s THR 168 N 1.52 4.39 -0.18 3.92 2.01 0.11 -0.58 115.64 126.83 3d40 s THR 168 Ca 0.04 -0.78 -0.20 0.00 0.31 0.00 0.00 61.69 61.06 3d40 s THR 168 Cb -0.13 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 3d40 s THR 168 CO -0.09 -0.12 0.59 -0.76 -0.69 0.00 0.00 174.62 173.54 3d40 s LEU 169 N 1.54 4.17 0.00 4.42 1.43 0.03 -1.76 118.68 128.51 3d40 s LEU 169 Ca 0.02 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 3d40 s LEU 169 Cb -0.18 -2.83 -0.00 0.00 0.03 0.00 0.00 46.19 43.20 3d40 s LEU 169 CO 0.05 -0.21 0.00 1.07 0.23 0.00 0.00 176.35 177.50 3d40 n THR 170 N 4.49 0.00 -0.41 5.49 5.66 0.29 -1.23 114.28 128.57 3d40 n THR 170 Ca -0.03 -0.02 0.08 0.00 -3.05 0.00 0.00 64.05 61.03 3d40 n THR 170 Cb 0.50 0.01 0.33 0.00 -1.55 0.00 0.00 70.33 69.62 3d40 n THR 170 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3d40 n ASP 171 N -2.73 4.47 -4.26 1.09 5.68 -1.26 -0.45 116.55 119.10 3d40 n ASP 171 Ca 0.00 -2.50 -0.14 0.00 -0.50 0.00 0.00 54.79 51.65 3d40 n ASP 171 Cb 0.01 -0.57 -0.10 0.00 -1.14 0.00 0.00 41.12 39.31 3d40 n ASP 171 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3d40 s VAL 172 N -1.99 0.79 -1.58 2.12 -7.23 -1.26 -4.99 120.40 106.25 3d40 s VAL 172 Ca 0.46 -2.00 0.30 0.00 -1.81 0.00 0.00 61.98 58.93 3d40 s VAL 172 Cb 0.31 -2.15 0.56 0.00 0.56 0.00 0.00 36.38 35.66 3d40 s VAL 172 CO 0.20 -0.46 2.02 0.47 -0.31 0.00 0.00 175.10 177.01 3d40 n ASP 173 N -0.28 0.16 0.00 4.85 8.00 -1.26 -2.06 116.55 125.96 3d40 n ASP 173 Ca -0.06 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.03 3d40 n ASP 173 Cb 0.63 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 3d40 n ASP 173 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d40 n GLY 174 N 1.24 -0.13 3.67 0.44 0.00 -1.26 -3.27 105.19 105.88 3d40 n GLY 174 Ca 0.16 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 3d40 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d40 s ILE 175 N -3.00 4.84 0.10 -0.61 1.01 -1.26 -4.96 121.20 117.33 3d40 s ILE 175 Ca 0.00 1.70 -0.22 0.00 0.00 0.00 0.00 60.65 62.13 3d40 s ILE 175 Cb 0.00 -4.17 -0.07 0.00 0.01 0.00 0.00 42.46 38.23 3d40 s ILE 175 CO 0.00 -0.01 0.65 -0.69 0.00 0.00 0.00 174.94 174.89 3d40 s VAL 176 N 2.36 4.62 0.19 2.92 1.01 -1.26 -0.52 120.40 129.72 3d40 s VAL 176 Ca 0.39 1.41 0.03 0.00 0.00 0.00 0.00 61.98 63.81 3d40 s VAL 176 Cb -0.16 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 3d40 s VAL 176 CO 0.11 0.53 -0.02 0.28 0.00 0.00 0.00 175.10 176.00 3d40 s THR 177 N -1.03 0.94 0.30 3.92 -1.32 0.45 -4.59 115.64 114.32 3d40 s THR 177 Ca 0.32 -2.02 -0.29 0.00 -1.21 0.00 0.00 61.69 58.49 3d40 s THR 177 Cb -0.21 -2.15 -0.10 0.00 -1.51 0.00 0.00 72.50 68.53 3d40 s THR 177 CO 0.22 -0.47 1.18 1.51 -2.21 0.00 0.00 174.62 174.84 3d40 s ASP 178 N -3.23 7.07 0.05 8.08 -4.77 -1.26 -1.19 116.67 121.41 3d40 s ASP 178 Ca 0.24 2.44 0.00 0.00 -3.30 0.00 0.00 52.55 51.93 3d40 s ASP 178 Cb 0.05 -2.64 0.00 0.00 -1.09 0.00 0.00 42.92 39.25 3d40 s ASP 178 CO 0.05 -0.30 0.00 0.61 0.70 0.00 0.00 175.17 176.23 3d40 n GLY 182 N 1.04 -0.29 3.77 2.12 0.00 -1.26 -4.88 105.19 105.69 3d40 n GLY 182 Ca -0.01 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 3d40 n GLY 182 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d40 s ASP 183 N -1.85 5.91 0.06 1.61 1.11 -1.26 -5.02 116.67 117.22 3d40 s ASP 183 Ca 0.00 2.93 -0.15 0.00 0.18 0.00 0.00 52.55 55.51 3d40 s ASP 183 Cb 0.00 -2.65 0.02 0.00 1.07 0.00 0.00 42.92 41.36 3d40 s ASP 183 CO 0.00 -1.16 0.33 0.28 1.18 0.00 0.00 175.17 175.80 3d40 s THR 184 N -1.20 0.08 0.07 -1.27 -1.32 -0.34 -4.97 115.64 106.71 3d40 s THR 184 Ca 0.60 -0.65 -0.28 0.00 -1.21 0.00 0.00 61.69 60.15 3d40 s THR 184 Cb -0.44 -0.99 -0.05 0.00 -1.51 0.00 0.00 72.50 69.50 3d40 s THR 184 CO 0.57 -0.36 0.88 -0.63 -2.21 0.00 0.00 174.62 172.87 3d40 s ILE 185 N -2.77 4.62 -0.41 5.08 -1.09 -1.26 -0.41 121.20 124.97 3d40 s ILE 185 Ca -0.03 1.89 -0.29 0.00 -2.23 0.00 0.00 60.65 59.99 3d40 s ILE 185 Cb -0.00 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 3d40 s ILE 185 CO -0.05 0.32 1.49 -0.22 -1.23 0.00 0.00 174.94 175.26 3d40 s LEU 186 N 0.06 3.55 0.21 2.97 2.96 0.33 -4.91 118.68 123.86 3d40 s LEU 186 Ca 0.44 0.89 0.06 0.00 -0.22 0.00 0.00 54.13 55.29 3d40 s LEU 186 Cb -0.22 -3.50 0.16 0.00 0.50 0.00 0.00 46.19 43.13 3d40 s LEU 186 CO 0.27 -1.51 1.49 1.55 -1.32 0.00 0.00 176.35 176.83 3d40 h PRO 187 N 11.20 0.13 -4.30 0.98 0.13 -1.89 -3.38 132.00 134.87 3d40 h PRO 187 Ca -0.29 -0.12 -0.34 0.00 -0.87 0.00 0.00 66.00 64.38 3d40 h PRO 187 Cb 1.12 0.03 -0.29 0.00 0.13 0.00 0.00 31.00 31.98 3d40 h PRO 187 CO 1.08 0.80 -0.76 -1.21 -0.23 0.00 0.00 178.00 177.68 3d40 s GLU 188 N -3.45 0.51 -0.06 0.86 0.41 -1.26 -0.54 118.70 115.16 3d40 s GLU 188 Ca -0.02 -0.18 0.02 0.00 -0.41 0.00 0.00 54.97 54.38 3d40 s GLU 188 Cb 0.11 -0.50 0.01 0.00 -1.78 0.00 0.00 34.13 31.97 3d40 s GLU 188 CO 0.80 0.09 -0.12 0.08 -0.49 0.00 0.00 175.26 175.62 3d40 s VAL 189 N 0.04 1.12 -0.36 2.63 1.01 0.17 -4.93 120.40 120.08 3d40 s VAL 189 Ca -0.00 -0.47 -0.20 0.00 0.00 0.00 0.00 61.98 61.31 3d40 s VAL 189 Cb -0.04 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.32 3d40 s VAL 189 CO -0.00 0.35 0.63 -0.62 0.00 0.00 0.00 175.10 175.46 3d40 s ASP 190 N 0.67 6.41 0.54 3.32 -1.08 -1.26 -2.16 116.67 123.11 3d40 s ASP 190 Ca -0.15 0.09 0.36 0.00 -0.52 0.00 0.00 52.55 52.33 3d40 s ASP 190 Cb -0.16 -2.32 1.77 0.00 -1.46 0.00 0.00 42.92 40.75 3d40 s ASP 190 CO 0.04 -0.61 2.08 0.00 0.52 0.00 0.00 175.17 177.19 3d40 h ALA 191 N 8.51 1.00 0.00 3.66 0.00 -1.20 -1.04 119.26 130.19 3d40 h ALA 191 Ca -0.26 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 3d40 h ALA 191 Cb 1.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3d40 h ALA 191 CO 0.84 0.00 -0.35 0.00 0.00 0.00 0.00 179.25 179.74 3d40 h ARG 192 N 0.00 0.00 -1.09 0.00 3.08 -1.93 -3.38 114.38 111.06 3d40 h ARG 192 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 3d40 h ARG 192 Cb 0.19 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.05 3d40 h ARG 192 CO 0.00 0.35 -0.56 0.45 -1.07 0.00 0.00 179.97 179.14 3d40 n SER 193 N -3.58 -2.98 -1.51 7.04 2.88 -0.45 -5.02 113.62 110.00 3d40 n SER 193 Ca -0.00 -2.89 -0.04 0.00 -1.33 0.00 0.00 58.87 54.61 3d40 n SER 193 Cb 0.48 1.44 0.19 0.00 -0.75 0.00 0.00 64.21 65.56 3d40 n SER 193 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3d40 n PRO 194 N 2.78 2.67 0.02 -1.46 -0.04 -0.90 -4.63 135.00 133.43 3d40 n PRO 194 Ca 0.19 -1.86 0.06 0.00 -0.04 0.00 0.00 63.50 61.85 3d40 n PRO 194 Cb 0.56 -1.85 0.47 0.00 -0.04 0.00 0.00 33.50 32.63 3d40 n PRO 194 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3d40 h GLU 195 N 1.63 0.44 0.00 0.54 9.09 -1.95 -0.83 114.58 123.49 3d40 h GLU 195 Ca 0.17 -0.03 -0.07 0.00 0.05 0.00 0.00 59.36 59.48 3d40 h GLU 195 Cb 1.71 -0.10 -0.01 0.00 -1.65 0.00 0.00 28.75 28.70 3d40 h GLU 195 CO 0.46 0.29 -0.34 1.96 0.05 0.00 0.00 179.01 181.43 3d40 h GLN 196 N 0.45 0.00 -0.29 1.06 1.08 -1.98 -1.61 115.11 113.82 3d40 h GLN 196 Ca 0.16 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.21 3d40 h GLN 196 Cb 0.08 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 3d40 h GLN 196 CO -0.04 0.34 -0.43 0.00 -0.95 0.00 0.00 178.83 177.75 3d40 h ALA 197 N 1.66 0.70 -0.24 3.87 0.00 -1.53 -0.91 119.26 122.82 3d40 h ALA 197 Ca -0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 3d40 h ALA 197 Cb 0.64 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3d40 h ALA 197 CO 0.04 0.67 -0.28 1.88 0.00 0.00 0.00 179.25 181.56 3d40 h TYR 198 N 0.58 0.52 -0.39 0.00 -1.99 -1.34 -1.85 116.97 112.51 3d40 h TYR 198 Ca 0.04 -0.12 -0.11 0.00 2.00 0.00 0.00 58.73 60.55 3d40 h TYR 198 Cb 0.98 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 39.57 3d40 h TYR 198 CO 0.05 0.70 -0.19 0.00 -0.00 0.00 0.00 178.16 178.72 3d40 h ALA 199 N 1.30 0.94 -0.76 3.88 0.00 -1.02 -2.38 119.26 121.22 3d40 h ALA 199 Ca 0.06 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 3d40 h ALA 199 Cb 0.70 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3d40 h ALA 199 CO 0.05 0.61 0.25 0.00 0.00 0.00 0.00 179.25 180.17 3d40 h ALA 200 N 1.13 1.01 -0.80 0.00 0.00 -0.69 -2.33 119.26 117.58 3d40 h ALA 200 Ca 0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3d40 h ALA 200 Cb 0.68 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3d40 h ALA 200 CO 0.05 0.67 0.34 -0.07 0.00 0.00 0.00 179.25 180.24 3d40 h LEU 201 N 1.13 1.09 -0.72 0.00 3.38 -1.11 -0.58 115.31 118.49 3d40 h LEU 201 Ca 0.25 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3d40 h LEU 201 Cb 0.29 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3d40 h LEU 201 CO -0.01 0.95 0.20 -0.25 0.09 0.00 0.00 178.44 179.42 3d40 h TRP 202 N 1.16 1.19 0.00 1.13 7.01 -1.12 -2.76 115.95 122.57 3d40 h TRP 202 Ca 0.27 -0.13 -0.09 0.00 2.11 0.00 0.00 58.89 61.05 3d40 h TRP 202 Cb 0.19 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 26.90 3d40 h TRP 202 CO 0.02 0.95 -0.40 0.78 -2.79 0.00 0.00 178.44 177.00 3d40 h GLY 203 N 1.08 0.00 -6.23 2.65 0.00 -1.00 -3.35 103.07 96.21 3d40 h GLY 203 Ca 0.23 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.97 3d40 h GLY 203 CO -0.00 0.00 -0.74 -1.14 0.00 0.00 0.00 176.54 174.66 3d40 n SER 204 N -3.54 2.62 -3.62 0.19 3.41 -0.26 -5.04 113.62 107.38 3d40 n SER 204 Ca -0.00 -3.19 -0.12 0.00 -0.26 0.00 0.00 58.87 55.30 3d40 n SER 204 Cb 0.53 -0.67 -0.07 0.00 -0.26 0.00 0.00 64.21 63.75 3d40 n SER 204 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3d40 s SER 205 N -1.96 -0.59 1.93 4.04 1.04 -1.22 -4.80 113.70 112.15 3d40 s SER 205 Ca 0.37 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.89 3d40 s SER 205 Cb 0.13 1.09 0.00 0.00 0.10 0.00 0.00 66.02 67.35 3d40 s SER 205 CO -0.06 -0.23 0.00 -1.84 0.98 0.00 0.00 173.24 172.09 3d40 n GLU 206 N 2.28 0.00 -1.31 4.02 0.28 -1.26 -5.03 120.64 119.62 3d40 n GLU 206 Ca -0.13 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.77 3d40 n GLU 206 Cb 0.56 0.00 0.12 0.00 1.43 0.00 0.00 31.44 33.54 3d40 n GLU 206 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3d40 n GLY 211 N 0.00 5.77 0.25 -1.84 0.00 -1.26 -5.19 105.19 102.92 3d40 n GLY 211 Ca 0.00 -1.98 -0.14 0.00 0.00 0.00 0.00 46.02 43.89 3d40 n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d40 h ALA 212 N 1.59 0.49 -0.49 4.61 0.00 -2.06 -1.26 119.26 122.13 3d40 h ALA 212 Ca 0.19 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 3d40 h ALA 212 Cb 1.28 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3d40 h ALA 212 CO 0.39 0.68 0.03 1.98 0.00 0.00 0.00 179.25 182.33 3d40 h MET 213 N 0.67 0.81 -0.80 0.00 1.85 -2.03 -1.40 114.93 114.03 3d40 h MET 213 Ca 0.02 -0.21 -0.04 0.00 -0.61 0.00 0.00 59.70 58.86 3d40 h MET 213 Cb 1.14 -0.10 -0.04 0.00 0.43 0.00 0.00 31.60 33.04 3d40 h MET 213 CO 0.12 0.80 0.34 1.25 -0.40 0.00 0.00 176.91 179.02 3d40 h HIS 214 N 0.76 1.20 -0.66 1.39 6.17 -1.96 0.41 115.15 122.45 3d40 h HIS 214 Ca 0.15 -0.08 -0.01 0.00 0.71 0.00 0.00 60.37 61.15 3d40 h HIS 214 Cb 0.42 -0.36 -0.03 0.00 2.52 0.00 0.00 27.41 29.96 3d40 h HIS 214 CO 0.02 0.89 0.39 1.15 0.71 0.00 0.00 177.93 181.10 3d40 h THR 215 N 1.16 1.20 -0.24 6.26 2.02 -0.86 -0.33 112.91 122.12 3d40 h THR 215 Ca 0.27 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 67.01 3d40 h THR 215 Cb 0.19 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 3d40 h THR 215 CO -0.03 0.21 0.13 0.11 0.37 0.00 0.00 175.52 176.31 3d40 h LYS 216 N 0.90 0.26 -0.24 6.66 1.57 -0.69 -1.15 116.57 123.89 3d40 h LYS 216 Ca 0.24 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3d40 h LYS 216 Cb -0.01 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3d40 h LYS 216 CO -0.04 0.17 0.14 1.25 -0.57 0.00 0.00 179.45 180.40 3d40 h LEU 217 N 0.27 0.29 -0.64 2.94 5.85 -0.71 -0.21 115.31 123.09 3d40 h LEU 217 Ca 0.10 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3d40 h LEU 217 Cb 0.01 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3d40 h LEU 217 CO -0.05 0.27 0.41 0.44 -0.34 0.00 0.00 178.44 179.16 3d40 h ASP 218 N 0.29 0.68 -0.43 1.25 5.19 -0.91 0.17 116.42 122.66 3d40 h ASP 218 Ca 0.09 -0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.39 3d40 h ASP 218 Cb 0.04 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 3d40 h ASP 218 CO -0.02 0.48 -0.11 0.00 -3.12 0.00 0.00 179.24 176.47 3d40 h ALA 219 N 1.26 0.59 0.01 3.45 0.00 -0.87 -1.56 119.26 122.15 3d40 h ALA 219 Ca 0.25 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 3d40 h ALA 219 Cb -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3d40 h ALA 219 CO -0.09 0.49 -0.87 -0.07 0.00 0.00 0.00 179.25 178.71 3d40 h LEU 220 N 0.66 0.13 -0.59 0.00 3.38 -0.79 -0.65 115.31 117.45 3d40 h LEU 220 Ca 0.11 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3d40 h LEU 220 Cb 0.65 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3d40 h LEU 220 CO 0.04 0.93 0.39 0.58 0.09 0.00 0.00 178.44 180.47 3d40 h VAL 221 N 0.05 1.15 -0.48 1.22 2.07 -0.89 0.38 116.25 119.76 3d40 h VAL 221 Ca -0.03 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.23 3d40 h VAL 221 Cb 1.51 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 3d40 h VAL 221 CO 0.12 0.15 0.27 0.74 0.02 0.00 0.00 177.57 178.88 3d40 h THR 222 N 0.80 1.03 -0.42 2.57 2.02 -0.89 0.04 112.91 118.04 3d40 h THR 222 Ca 0.22 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 67.14 3d40 h THR 222 Cb -0.09 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 3d40 h THR 222 CO -0.05 0.10 0.02 0.00 0.37 0.00 0.00 175.52 175.96 3d40 h ALA 224 N 0.91 1.24 0.00 0.00 0.00 -0.60 -1.42 119.26 119.39 3d40 h ALA 224 Ca 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3d40 h ALA 224 Cb 0.46 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3d40 h ALA 224 CO 0.02 0.50 -0.04 0.07 0.00 0.00 0.00 179.25 179.80 3d40 h ARG 225 N 0.50 0.00 -0.70 0.00 0.11 -0.83 -0.71 114.38 112.75 3d40 h ARG 225 Ca 0.10 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.06 3d40 h ARG 225 Cb 0.47 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.48 3d40 h ARG 225 CO 0.03 0.04 0.14 0.54 0.10 0.00 0.00 179.97 180.82 3d40 n ARG 226 N -3.22 4.07 -0.00 0.08 1.74 -0.61 -4.93 116.66 113.79 3d40 n ARG 226 Ca -0.01 -2.91 0.00 0.00 -0.77 0.00 0.00 57.85 54.16 3d40 n ARG 226 Cb 0.22 -2.19 0.00 0.00 -1.02 0.00 0.00 32.46 29.47 3d40 n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d40 n GLY 227 N 0.20 0.03 3.78 -0.13 0.00 -0.27 -5.05 105.19 103.75 3d40 n GLY 227 Ca 0.33 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 3d40 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d40 s ALA 228 N -2.01 2.60 -0.33 4.61 0.00 -0.76 -4.73 121.76 121.13 3d40 s ALA 228 Ca 0.00 0.50 -0.11 0.00 0.00 0.00 0.00 51.96 52.35 3d40 s ALA 228 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3d40 s ALA 228 CO 0.00 -1.04 0.18 -2.00 0.00 0.00 0.00 175.76 172.90 3d40 s GLU 229 N -4.03 3.22 0.11 0.00 2.12 -0.24 -4.16 118.70 115.71 3d40 s GLU 229 Ca 0.66 -0.81 0.09 0.00 0.36 0.00 0.00 54.97 55.27 3d40 s GLU 229 Cb -0.19 -3.65 -0.04 0.00 0.26 0.00 0.00 34.13 30.51 3d40 s GLU 229 CO 0.39 -0.50 -0.20 0.00 -0.54 0.00 0.00 175.26 174.40 3d40 s PHE 231 N -1.10 0.18 -0.20 0.00 0.40 0.09 0.07 117.98 117.42 3d40 s PHE 231 Ca 0.17 -0.02 -0.05 0.00 -0.60 0.00 0.00 56.93 56.43 3d40 s PHE 231 Cb -0.10 -0.15 -0.02 0.00 0.51 0.00 0.00 43.02 43.26 3d40 s PHE 231 CO 0.09 -0.02 -0.01 0.42 0.70 0.00 0.00 175.22 176.39 3d40 s ILE 232 N 0.11 3.84 0.32 0.64 1.01 -0.46 -0.71 121.20 125.95 3d40 s ILE 232 Ca -0.01 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.21 3d40 s ILE 232 Cb -0.03 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.72 3d40 s ILE 232 CO -0.00 0.44 0.52 0.00 0.00 0.00 0.00 174.94 175.89 3d40 s MET 233 N 0.97 1.84 -0.09 2.79 0.23 -0.72 -1.10 119.30 123.22 3d40 s MET 233 Ca 0.01 -1.54 -0.24 0.00 -1.03 0.00 0.00 55.69 52.89 3d40 s MET 233 Cb -0.14 0.48 -0.03 0.00 -1.53 0.00 0.00 34.83 33.60 3d40 s MET 233 CO 0.01 -0.78 0.74 0.50 -2.03 0.00 0.00 175.02 173.47 3d40 s ARG 234 N -3.26 4.40 0.28 3.16 3.52 -0.87 -0.55 118.95 125.62 3d40 s ARG 234 Ca 0.26 0.92 -0.11 0.00 -0.13 0.00 0.00 55.73 56.67 3d40 s ARG 234 Cb -0.01 -3.49 -0.07 0.00 -1.56 0.00 0.00 34.95 29.82 3d40 s ARG 234 CO 0.15 -0.05 0.62 0.20 -0.81 0.00 0.00 175.30 175.42 3d40 s GLY 235 N 0.92 2.23 -0.17 8.12 0.00 0.40 -4.76 107.32 114.06 3d40 s GLY 235 Ca 0.38 -0.20 -0.06 0.00 0.00 0.00 0.00 44.72 44.84 3d40 s GLY 235 CO 0.17 -0.03 0.36 -0.35 0.00 0.00 0.00 173.10 173.25 3d40 s ASP 236 N -2.47 -0.09 0.26 1.64 2.15 -1.26 -4.88 116.67 112.02 3d40 s ASP 236 Ca 0.49 0.84 -0.02 0.00 0.43 0.00 0.00 52.55 54.29 3d40 s ASP 236 Cb -0.11 1.04 0.56 0.00 -0.30 0.00 0.00 42.92 44.11 3d40 s ASP 236 CO 0.22 -0.23 1.67 -0.65 -0.17 0.00 0.00 175.17 176.01 3d40 h PRO 237 N 8.06 0.25 -0.00 4.34 0.11 -1.90 -0.47 132.00 142.37 3d40 h PRO 237 Ca -0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3d40 h PRO 237 Cb 1.12 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3d40 h PRO 237 CO 0.15 0.16 -0.12 0.41 -0.21 0.00 0.00 178.00 178.40 3d40 n GLY 238 N -1.37 -0.87 3.75 -0.55 0.00 -1.26 -3.03 105.19 101.86 3d40 n GLY 238 Ca 0.17 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 3d40 n GLY 238 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d40 s SER 239 N -2.45 7.13 0.22 1.61 0.01 -0.19 -4.98 113.70 115.05 3d40 s SER 239 Ca 0.29 2.27 -0.30 0.00 1.31 0.00 0.00 55.95 59.52 3d40 s SER 239 Cb 0.20 -2.62 -0.10 0.00 0.21 0.00 0.00 66.02 63.72 3d40 s SER 239 CO 0.47 -0.31 1.43 -0.62 0.41 0.00 0.00 173.24 174.63 3d40 s ASP 240 N -0.24 6.69 -0.00 2.44 -1.08 -1.26 -4.90 116.67 118.33 3d40 s ASP 240 Ca 0.50 2.60 0.05 0.00 -0.52 0.00 0.00 52.55 55.19 3d40 s ASP 240 Cb -0.33 -2.62 0.15 0.00 -1.46 0.00 0.00 42.92 38.67 3d40 s ASP 240 CO 0.39 -0.69 1.13 0.18 0.52 0.00 0.00 175.17 176.70 3d40 n LEU 241 N 2.65 2.47 0.22 -1.34 4.77 -1.26 -4.73 117.00 119.78 3d40 n LEU 241 Ca 0.08 -2.00 0.14 0.00 -0.03 0.00 0.00 56.01 54.19 3d40 n LEU 241 Cb 0.40 -0.12 0.77 0.00 -2.33 0.00 0.00 43.42 42.15 3d40 n LEU 241 CO 0.60 0.62 1.12 -0.08 -1.33 0.00 0.00 177.39 178.32 3d40 h GLU 242 N 1.02 0.00 0.00 3.23 4.81 -1.91 0.12 114.58 121.84 3d40 h GLU 242 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3d40 h GLU 242 Cb 0.62 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.00 3d40 h GLU 242 CO 0.00 0.00 -0.01 0.27 -0.73 0.00 0.00 179.01 178.54 3d40 h PHE 243 N 0.00 0.00 0.00 0.92 -5.15 -1.97 -1.12 116.94 109.62 3d40 h PHE 243 Ca 0.05 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.82 3d40 h PHE 243 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.43 3d40 h PHE 243 CO 0.00 0.01 0.00 1.28 -2.00 0.00 0.00 178.31 177.60 3d40 n LEU 244 N -3.25 0.03 0.01 2.10 4.77 0.42 -1.35 117.00 119.73 3d40 n LEU 244 Ca -0.02 0.51 0.13 0.00 -0.03 0.00 0.00 56.01 56.59 3d40 n LEU 244 Cb 0.12 -0.51 0.41 0.00 -2.33 0.00 0.00 43.42 41.11 3d40 n LEU 244 CO 0.23 -0.32 0.69 0.35 -1.33 0.00 0.00 177.39 177.01 3d40 n THR 245 N -1.53 0.08 -4.08 -5.08 -2.24 -0.42 -4.91 114.28 96.09 3d40 n THR 245 Ca 0.03 -0.05 -0.22 0.00 -2.27 0.00 0.00 64.05 61.54 3d40 n THR 245 Cb 0.14 -0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.16 3d40 n THR 245 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d40 s ALA 246 N -3.02 3.62 0.39 6.98 0.00 -0.45 -4.50 121.76 124.78 3d40 s ALA 246 Ca 0.12 -1.45 -0.26 0.00 0.00 0.00 0.00 51.96 50.37 3d40 s ALA 246 Cb 0.17 -1.29 -0.11 0.00 0.00 0.00 0.00 23.12 21.90 3d40 s ALA 246 CO 0.62 0.22 1.29 -2.30 0.00 0.00 0.00 175.76 175.60 3d40 n PRO 247 N -1.21 2.04 -0.28 0.00 -0.02 -1.26 -4.77 135.00 129.51 3d40 n PRO 247 Ca -0.07 0.72 0.13 0.00 -2.02 0.00 0.00 63.50 62.26 3d40 n PRO 247 Cb 0.58 -2.39 0.38 0.00 -0.02 0.00 0.00 33.50 32.05 3d40 n PRO 247 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3d40 h PHE 248 N 2.28 0.82 0.00 6.00 3.57 -1.66 0.52 116.94 128.47 3d40 h PHE 248 Ca -0.48 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.05 3d40 h PHE 248 Cb 1.29 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.77 3d40 h PHE 248 CO 0.49 0.29 0.00 0.66 -2.23 0.00 0.00 178.31 177.52 3d40 h SER 249 N 0.68 0.00 -0.02 0.41 4.64 -1.16 -2.47 113.55 115.63 3d40 h SER 249 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3d40 h SER 249 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3d40 h SER 249 CO -0.22 0.00 -0.07 -1.20 -0.87 0.00 0.00 176.83 174.47 3d40 n SER 250 N -2.38 2.58 -4.76 4.97 7.64 0.17 -5.00 113.62 116.83 3d40 n SER 250 Ca 0.00 -1.82 -0.37 0.00 1.01 0.00 0.00 58.87 57.69 3d40 n SER 250 Cb 0.14 0.07 0.03 0.00 -1.01 0.00 0.00 64.21 63.44 3d40 n SER 250 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3d40 s TRP 251 N -2.08 2.46 0.67 1.43 0.52 -0.93 -4.96 118.94 116.05 3d40 s TRP 251 Ca 0.28 1.49 -0.17 0.00 0.02 0.00 0.00 56.10 57.72 3d40 s TRP 251 Cb 0.20 -3.52 -0.01 0.00 -1.15 0.00 0.00 33.47 28.99 3d40 s TRP 251 CO 0.35 -2.21 1.12 -2.30 0.02 0.00 0.00 176.95 173.93 3d40 n PRO 252 N -1.27 0.81 0.23 4.98 -0.02 -1.26 -4.90 135.00 133.57 3d40 n PRO 252 Ca 0.12 0.33 0.09 0.00 -2.02 0.00 0.00 63.50 62.02 3d40 n PRO 252 Cb 0.48 -2.35 0.57 0.00 -0.02 0.00 0.00 33.50 32.18 3d40 n PRO 252 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d40 h ALA 253 N 0.17 1.36 0.00 3.55 0.00 -2.01 -2.82 119.26 119.51 3d40 h ALA 253 Ca -0.49 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3d40 h ALA 253 Cb 1.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3d40 h ALA 253 CO 0.50 0.25 0.00 -2.39 0.00 0.00 0.00 179.25 177.61 3d40 n HIS 254 N -3.85 0.64 -2.52 0.00 1.44 -1.26 -4.83 115.22 104.84 3d40 n HIS 254 Ca -0.02 0.24 -0.42 0.00 -2.01 0.00 0.00 57.72 55.51 3d40 n HIS 254 Cb 0.30 -0.88 -0.03 0.00 0.12 0.00 0.00 29.99 29.49 3d40 n HIS 254 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3d40 s VAL 255 N -3.20 4.18 0.05 0.61 1.01 -1.07 -5.02 120.40 116.95 3d40 s VAL 255 Ca 0.06 1.65 0.08 0.00 0.00 0.00 0.00 61.98 63.77 3d40 s VAL 255 Cb 0.10 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 3d40 s VAL 255 CO 0.41 0.17 -0.21 -0.13 0.00 0.00 0.00 175.10 175.35 3d40 s ARG 256 N 0.63 1.96 0.12 2.72 1.81 -1.26 -5.05 118.95 119.88 3d40 s ARG 256 Ca 0.54 -1.04 -0.25 0.00 -1.72 0.00 0.00 55.73 53.26 3d40 s ARG 256 Cb -0.27 -2.11 0.07 0.00 -0.45 0.00 0.00 34.95 32.18 3d40 s ARG 256 CO 0.30 0.53 0.89 -1.54 -0.68 0.00 0.00 175.30 174.80 3d40 s SER 257 N -1.42 -0.27 -0.25 0.23 1.04 -1.20 -4.52 113.70 107.31 3d40 s SER 257 Ca 0.14 -0.28 -0.08 0.00 0.48 0.00 0.00 55.95 56.21 3d40 s SER 257 Cb -0.10 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 3d40 s SER 257 CO 0.04 -0.87 0.08 -0.89 0.98 0.00 0.00 173.24 172.58 3d40 s THR 258 N -3.34 4.45 -0.19 2.02 2.01 -0.26 -4.47 115.64 115.87 3d40 s THR 258 Ca 0.09 -0.12 -0.09 0.00 0.31 0.00 0.00 61.69 61.88 3d40 s THR 258 Cb -0.02 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 3d40 s THR 258 CO -0.02 0.33 0.09 -0.60 -0.69 0.00 0.00 174.62 173.74 3d40 s ARG 259 N 1.58 4.07 -0.20 4.92 3.52 0.30 -1.36 118.95 131.78 3d40 s ARG 259 Ca 0.06 -0.29 0.01 0.00 -0.13 0.00 0.00 55.73 55.38 3d40 s ARG 259 Cb -0.15 -3.31 0.02 0.00 -1.56 0.00 0.00 34.95 29.95 3d40 s ARG 259 CO 0.04 0.28 -0.15 0.42 -0.81 0.00 0.00 175.30 175.09 3d40 s ILE 260 N 0.37 2.31 0.29 4.11 1.01 0.11 -0.65 121.20 128.75 3d40 s ILE 260 Ca 0.05 -1.01 -0.04 0.00 0.00 0.00 0.00 60.65 59.65 3d40 s ILE 260 Cb -0.12 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 40.28 3d40 s ILE 260 CO -0.01 0.40 0.41 0.42 0.00 0.00 0.00 174.94 176.16 3d40 s THR 261 N 1.28 0.00 0.00 2.92 -4.23 -0.92 -1.38 115.64 113.31 3d40 s THR 261 Ca 0.02 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 3d40 s THR 261 Cb -0.15 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.20 3d40 s THR 261 CO -0.10 0.00 0.39 1.07 -0.54 0.00 0.00 174.62 175.44