#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i19 s TYR -4 N 0.00 2.32 -0.14 1.96 2.02 -1.26 -5.12 117.35 117.13 3i19 s TYR -4 Ca 0.00 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.30 3i19 s TYR -4 Cb 0.00 -1.40 0.01 0.00 -0.40 0.00 0.00 41.96 40.17 3i19 s TYR -4 CO 0.00 0.10 -0.19 -0.06 -1.57 0.00 0.00 175.55 173.83 3i19 s PHE -3 N -0.78 2.45 -0.10 2.71 0.40 -1.26 -5.01 117.98 116.40 3i19 s PHE -3 Ca 0.11 -1.28 0.13 0.00 -0.60 0.00 0.00 56.93 55.29 3i19 s PHE -3 Cb -0.10 -1.71 0.00 0.00 0.51 0.00 0.00 43.02 41.72 3i19 s PHE -3 CO 0.02 -0.62 1.40 0.37 0.70 0.00 0.00 175.22 177.09 3i19 h GLN -2 N 7.56 0.00 0.00 0.44 5.75 -2.09 -3.50 115.11 123.27 3i19 h GLN -2 Ca -0.35 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.15 3i19 h GLN -2 Cb 1.17 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.72 3i19 h GLN -2 CO 0.55 0.61 0.00 0.41 -2.65 0.00 0.00 178.83 177.75 3i19 n GLY -1 N 1.25 -0.72 3.75 2.39 0.00 -1.26 -4.94 105.19 105.66 3i19 n GLY -1 Ca 0.01 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 3i19 n GLY -1 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i19 s MET 0 N -2.49 4.61 -0.10 1.61 -1.94 -1.26 -5.04 119.30 114.69 3i19 s MET 0 Ca 0.00 1.76 0.03 0.00 -1.71 0.00 0.00 55.69 55.77 3i19 s MET 0 Cb 0.00 -3.24 0.01 0.00 2.01 0.00 0.00 34.83 33.61 3i19 s MET 0 CO 0.00 0.13 -0.21 0.14 -0.01 0.00 0.00 175.02 175.07 3i19 s VAL 1 N -0.63 1.83 0.65 -6.03 -7.23 -1.26 -5.14 120.40 102.60 3i19 s VAL 1 Ca 0.47 -0.87 -0.11 0.00 -1.81 0.00 0.00 61.98 59.66 3i19 s VAL 1 Cb -0.31 -1.60 -0.02 0.00 0.56 0.00 0.00 36.38 35.01 3i19 s VAL 1 CO 0.37 0.51 1.04 -0.94 -0.31 0.00 0.00 175.10 175.78 3i19 s SER 2 N 0.52 5.85 0.23 4.85 1.04 -1.26 -4.89 113.70 120.04 3i19 s SER 2 Ca -0.16 1.51 -0.06 0.00 0.48 0.00 0.00 55.95 57.73 3i19 s SER 2 Cb -0.17 -2.48 0.37 0.00 0.10 0.00 0.00 66.02 63.84 3i19 s SER 2 CO 0.06 -1.12 1.79 0.11 0.98 0.00 0.00 173.24 175.05 3i19 h LYS 3 N -0.49 0.65 -0.22 4.02 1.57 -1.94 -1.76 116.57 118.40 3i19 h LYS 3 Ca -0.44 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.31 3i19 h LYS 3 Cb 1.20 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 3i19 h LYS 3 CO 0.60 0.43 0.13 0.78 -0.57 0.00 0.00 179.45 180.82 3i19 h GLY 4 N 0.67 0.30 0.69 3.86 0.00 -1.64 -2.18 103.07 104.78 3i19 h GLY 4 Ca 0.37 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.64 3i19 h GLY 4 CO -0.26 0.09 0.11 -2.09 0.00 0.00 0.00 176.54 174.39 3i19 h GLU 5 N 0.27 0.24 0.00 4.80 4.81 -1.55 -2.60 114.58 120.55 3i19 h GLU 5 Ca 0.09 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3i19 h GLU 5 Cb -0.01 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 3i19 h GLU 5 CO -0.04 0.16 -0.15 1.49 -0.73 0.00 0.00 179.01 179.74 3i19 h GLU 6 N 0.25 0.00 0.00 1.92 4.81 -1.06 -2.36 114.58 118.15 3i19 h GLU 6 Ca 0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3i19 h GLU 6 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3i19 h GLU 6 CO -0.16 0.15 0.00 -0.07 -0.73 0.00 0.00 179.01 178.20 3i19 h LEU 7 N 0.00 0.00 -2.98 1.64 3.38 -0.98 -2.74 115.31 113.63 3i19 h LEU 7 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i19 h LEU 7 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3i19 h LEU 7 CO 0.02 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.04 3i19 n PHE 8 N -2.43 0.62 0.26 1.13 3.72 -0.89 -4.63 117.46 115.24 3i19 n PHE 8 Ca -0.00 -0.59 0.12 0.00 -0.05 0.00 0.00 57.45 56.92 3i19 n PHE 8 Cb 0.12 -0.10 0.74 0.00 -0.94 0.00 0.00 39.48 39.29 3i19 n PHE 8 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3i19 h GLY 9 N 2.06 0.00 0.00 1.37 0.00 -1.61 -3.38 103.07 101.51 3i19 h GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i19 h GLY 9 CO 0.06 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.21 3i19 n GLY 10 N -0.84 6.27 3.69 4.60 0.00 -1.26 -4.80 105.19 112.85 3i19 n GLY 10 Ca -0.02 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 3i19 n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i19 s ILE 11 N 0.93 4.86 -0.13 -0.61 -1.09 -1.26 -4.41 121.20 119.49 3i19 s ILE 11 Ca 0.00 1.85 0.01 0.00 -2.23 0.00 0.00 60.65 60.28 3i19 s ILE 11 Cb 0.00 -4.23 -0.00 0.00 -1.58 0.00 0.00 42.46 36.65 3i19 s ILE 11 CO 0.00 0.08 -0.17 -0.69 -1.23 0.00 0.00 174.94 172.93 3i19 s VAL 12 N 1.68 2.60 0.48 2.92 1.01 -0.14 -4.95 120.40 124.01 3i19 s VAL 12 Ca 0.45 -0.81 -0.23 0.00 0.00 0.00 0.00 61.98 61.39 3i19 s VAL 12 Cb -0.18 -2.07 -0.07 0.00 0.00 0.00 0.00 36.38 34.06 3i19 s VAL 12 CO 0.18 0.53 1.22 -2.16 0.00 0.00 0.00 175.10 174.87 3i19 s PRO 13 N 0.55 3.60 -0.03 2.72 0.04 -1.26 -0.65 135.00 139.98 3i19 s PRO 13 Ca -0.11 1.90 0.05 0.00 0.04 0.00 0.00 61.00 62.89 3i19 s PRO 13 Cb -0.16 -2.38 -0.01 0.00 0.04 0.00 0.00 34.50 31.99 3i19 s PRO 13 CO 0.04 -0.71 -0.18 0.42 0.04 0.00 0.00 177.00 176.60 3i19 s ILE 14 N -1.48 1.46 -0.04 0.56 1.01 0.21 -1.19 121.20 121.73 3i19 s ILE 14 Ca 0.65 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 60.59 3i19 s ILE 14 Cb -0.32 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 3i19 s ILE 14 CO 0.38 0.42 -0.18 -0.76 0.00 0.00 0.00 174.94 174.80 3i19 s LEU 15 N -0.23 1.94 -0.06 2.97 1.43 -0.38 -2.00 118.68 122.36 3i19 s LEU 15 Ca 0.02 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 3i19 s LEU 15 Cb -0.09 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.14 3i19 s LEU 15 CO 0.01 0.17 -0.16 -0.69 0.23 0.00 0.00 176.35 175.91 3i19 s VAL 16 N -0.03 1.35 -0.08 -1.59 1.01 -0.13 -0.86 120.40 120.07 3i19 s VAL 16 Ca -0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 3i19 s VAL 16 Cb -0.11 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.10 3i19 s VAL 16 CO 0.02 0.40 -0.02 -1.61 0.00 0.00 0.00 175.10 173.88 3i19 s GLU 17 N 0.32 0.89 -0.06 2.72 0.41 -0.25 -0.19 118.70 122.54 3i19 s GLU 17 Ca -0.10 -0.01 0.04 0.00 -0.41 0.00 0.00 54.97 54.49 3i19 s GLU 17 Cb -0.14 -1.14 -0.00 0.00 -1.78 0.00 0.00 34.13 31.08 3i19 s GLU 17 CO 0.03 -0.27 -0.19 -1.17 -0.49 0.00 0.00 175.26 173.18 3i19 s LEU 18 N 1.80 1.92 -0.14 1.80 0.20 -0.04 -0.31 118.68 123.90 3i19 s LEU 18 Ca 0.04 -0.41 -0.01 0.00 0.69 0.00 0.00 54.13 54.44 3i19 s LEU 18 Cb -0.13 -1.09 -0.01 0.00 -0.43 0.00 0.00 46.19 44.53 3i19 s LEU 18 CO -0.06 0.14 -0.12 -1.61 -0.29 0.00 0.00 176.35 174.42 3i19 s GLU 19 N 0.20 3.39 0.11 1.98 0.41 -0.41 -1.32 118.70 123.06 3i19 s GLU 19 Ca -0.09 -0.67 0.05 0.00 -0.41 0.00 0.00 54.97 53.85 3i19 s GLU 19 Cb -0.14 -2.69 -0.04 0.00 -1.78 0.00 0.00 34.13 29.48 3i19 s GLU 19 CO 0.04 0.15 -0.12 0.20 -0.49 0.00 0.00 175.26 175.04 3i19 s GLY 20 N 0.51 0.98 -0.18 -1.39 0.00 0.09 -0.78 107.32 106.56 3i19 s GLY 20 Ca -0.08 -1.24 -0.04 0.00 0.00 0.00 0.00 44.72 43.36 3i19 s GLY 20 CO 0.04 -1.30 0.21 -0.35 0.00 0.00 0.00 173.10 171.69 3i19 s ASP 21 N -2.42 1.29 -0.22 1.64 -1.08 -0.59 -1.23 116.67 114.06 3i19 s ASP 21 Ca 0.07 -0.12 0.02 0.00 -0.52 0.00 0.00 52.55 52.00 3i19 s ASP 21 Cb -0.04 0.35 0.04 0.00 -1.46 0.00 0.00 42.92 41.81 3i19 s ASP 21 CO 0.02 -0.31 -0.15 -0.69 0.52 0.00 0.00 175.17 174.55 3i19 s VAL 22 N 2.32 2.13 -1.43 1.11 1.01 -0.51 -0.15 120.40 124.88 3i19 s VAL 22 Ca 0.06 -1.29 -0.12 0.00 0.00 0.00 0.00 61.98 60.63 3i19 s VAL 22 Cb -0.15 -2.08 0.09 0.00 0.00 0.00 0.00 36.38 34.23 3i19 s VAL 22 CO -0.11 0.25 0.66 0.59 0.00 0.00 0.00 175.10 176.49 3i19 n ASN 23 N 4.53 -4.06 0.00 3.32 4.13 -0.14 -1.00 115.26 122.03 3i19 n ASN 23 Ca -0.17 -0.58 0.00 0.00 1.68 0.00 0.00 54.58 55.51 3i19 n ASN 23 Cb 0.46 -3.32 0.00 0.00 -1.54 0.00 0.00 39.78 35.38 3i19 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i19 n GLY 24 N -1.35 1.63 3.58 7.41 0.00 -1.26 -5.00 105.19 110.19 3i19 n GLY 24 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3i19 n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i19 s HIS 25 N -2.84 2.84 0.11 1.61 3.76 -0.17 -5.03 115.29 115.57 3i19 s HIS 25 Ca 0.00 0.47 -0.18 0.00 -0.15 0.00 0.00 55.06 55.20 3i19 s HIS 25 Cb 0.00 -4.20 -0.07 0.00 1.11 0.00 0.00 32.58 29.42 3i19 s HIS 25 CO 0.00 -1.23 0.58 0.15 -0.85 0.00 0.00 174.74 173.39 3i19 s LYS 26 N 4.13 4.13 0.12 1.40 1.02 -1.26 -1.42 119.74 127.86 3i19 s LYS 26 Ca 0.41 0.67 -0.19 0.00 0.02 0.00 0.00 55.97 56.88 3i19 s LYS 26 Cb -0.09 -3.11 0.05 0.00 -0.52 0.00 0.00 37.83 34.16 3i19 s LYS 26 CO 0.28 0.57 0.47 -0.59 -0.92 0.00 0.00 175.35 175.16 3i19 s PHE 27 N -1.26 -0.33 0.02 3.18 -0.71 -0.37 -4.98 117.98 113.54 3i19 s PHE 27 Ca 0.33 0.11 0.04 0.00 -1.04 0.00 0.00 56.93 56.37 3i19 s PHE 27 Cb -0.18 0.35 -0.02 0.00 -1.21 0.00 0.00 43.02 41.96 3i19 s PHE 27 CO 0.19 -0.72 -0.13 -1.12 -1.34 0.00 0.00 175.22 172.10 3i19 s SER 28 N -2.62 1.51 -0.04 1.98 0.01 -1.26 -0.73 113.70 112.55 3i19 s SER 28 Ca 0.01 -0.34 0.03 0.00 1.31 0.00 0.00 55.95 56.95 3i19 s SER 28 Cb 0.01 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.11 3i19 s SER 28 CO -0.10 0.08 -0.12 -0.69 0.41 0.00 0.00 173.24 172.82 3i19 s VAL 29 N -0.59 1.02 -0.05 3.43 1.01 -0.44 -1.43 120.40 123.35 3i19 s VAL 29 Ca 0.03 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.59 3i19 s VAL 29 Cb -0.06 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 3i19 s VAL 29 CO 0.00 0.31 -0.20 -0.44 0.00 0.00 0.00 175.10 174.78 3i19 s SER 30 N 0.28 3.54 0.06 3.32 0.01 -0.14 -0.87 113.70 119.90 3i19 s SER 30 Ca -0.06 -0.35 0.05 0.00 1.31 0.00 0.00 55.95 56.90 3i19 s SER 30 Cb -0.11 -0.75 -0.03 0.00 0.21 0.00 0.00 66.02 65.34 3i19 s SER 30 CO 0.02 0.30 -0.15 -0.83 0.41 0.00 0.00 173.24 172.99 3i19 s GLY 31 N -0.49 0.87 0.01 3.44 0.00 0.73 -0.03 107.32 111.84 3i19 s GLY 31 Ca 0.06 -0.96 -0.00 0.00 0.00 0.00 0.00 44.72 43.81 3i19 s GLY 31 CO 0.01 -0.97 -0.01 -0.54 0.00 0.00 0.00 173.10 171.59 3i19 s GLU 32 N -1.57 0.22 0.00 2.90 2.02 -0.61 -0.95 118.70 120.72 3i19 s GLU 32 Ca -0.00 -0.41 0.00 0.00 0.02 0.00 0.00 54.97 54.58 3i19 s GLU 32 Cb -0.09 0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.22 3i19 s GLU 32 CO 0.02 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.67 3i19 n GLY 33 N 2.05 -0.72 3.25 -1.39 0.00 -0.85 -1.10 105.19 106.44 3i19 n GLY 33 Ca -0.20 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 3i19 n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i19 s GLU 34 N -0.61 0.89 0.01 1.61 -1.05 -0.42 -0.62 118.70 118.51 3i19 s GLU 34 Ca 0.00 -0.70 0.05 0.00 -0.15 0.00 0.00 54.97 54.17 3i19 s GLU 34 Cb 0.00 0.38 -0.02 0.00 -0.44 0.00 0.00 34.13 34.05 3i19 s GLU 34 CO 0.00 -0.30 -0.15 0.20 0.95 0.00 0.00 175.26 175.95 3i19 s GLY 35 N -2.50 0.80 -0.47 -3.83 0.00 0.18 -1.73 107.32 99.77 3i19 s GLY 35 Ca 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 44.72 43.99 3i19 s GLY 35 CO -0.08 -0.69 0.29 -0.35 0.00 0.00 0.00 173.10 172.27 3i19 s ASP 36 N -0.74 3.49 0.57 1.64 -1.08 0.49 -0.96 116.67 120.08 3i19 s ASP 36 Ca 0.04 -2.84 0.31 0.00 -0.52 0.00 0.00 52.55 49.54 3i19 s ASP 36 Cb -0.07 -1.02 1.74 0.00 -1.46 0.00 0.00 42.92 42.11 3i19 s ASP 36 CO 0.00 -0.23 2.19 0.00 0.52 0.00 0.00 175.17 177.66 3i19 h ALA 37 N 6.41 1.36 -0.55 3.66 0.00 -1.73 -0.96 119.26 127.44 3i19 h ALA 37 Ca 0.05 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.02 3i19 h ALA 37 Cb 0.90 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3i19 h ALA 37 CO 0.49 0.06 0.38 1.15 0.00 0.00 0.00 179.25 181.33 3i19 h THR 38 N 0.00 0.86 -0.09 0.00 2.02 -1.87 -2.21 112.91 111.62 3i19 h THR 38 Ca -0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3i19 h THR 38 Cb 0.14 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3i19 h THR 38 CO 0.01 0.05 0.00 -1.22 0.37 0.00 0.00 175.52 174.73 3i19 n TYR 39 N -4.46 0.12 -2.75 3.16 4.01 -0.50 -4.94 117.16 111.81 3i19 n TYR 39 Ca 0.09 -0.37 -0.22 0.00 -0.16 0.00 0.00 57.90 57.24 3i19 n TYR 39 Cb 0.41 -0.03 0.01 0.00 -0.31 0.00 0.00 39.34 39.42 3i19 n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i19 n GLY 40 N -0.05 -0.51 3.47 2.72 0.00 -0.49 -4.75 105.19 105.59 3i19 n GLY 40 Ca 0.04 0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3i19 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i19 s LYS 41 N -5.41 3.63 -0.08 1.61 2.20 -0.66 -0.70 119.74 120.33 3i19 s LYS 41 Ca 0.17 -0.53 0.04 0.00 -0.36 0.00 0.00 55.97 55.29 3i19 s LYS 41 Cb -0.07 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 3i19 s LYS 41 CO 0.21 0.13 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.61 3i19 s LEU 42 N 0.66 1.96 -0.19 5.43 1.43 0.18 -0.38 118.68 127.78 3i19 s LEU 42 Ca -0.02 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 3i19 s LEU 42 Cb -0.14 -1.21 0.04 0.00 0.03 0.00 0.00 46.19 44.90 3i19 s LEU 42 CO 0.02 0.14 -0.10 0.42 0.23 0.00 0.00 176.35 177.06 3i19 s THR 43 N 0.30 1.57 0.02 5.49 -4.23 -0.70 -0.96 115.64 117.13 3i19 s THR 43 Ca -0.14 -0.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.45 3i19 s THR 43 Cb -0.16 -1.64 -0.02 0.00 1.34 0.00 0.00 72.50 72.02 3i19 s THR 43 CO 0.06 0.19 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.53 3i19 s LEU 44 N 1.43 2.19 -0.07 4.79 1.43 -0.46 -1.31 118.68 126.70 3i19 s LEU 44 Ca -0.00 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 3i19 s LEU 44 Cb -0.16 -0.01 0.02 0.00 0.03 0.00 0.00 46.19 46.06 3i19 s LEU 44 CO -0.08 -0.20 -0.11 -0.75 0.23 0.00 0.00 176.35 175.43 3i19 s LYS 45 N -1.19 1.60 0.01 1.70 2.20 -0.26 -0.43 119.74 123.38 3i19 s LYS 45 Ca -0.11 -0.37 0.05 0.00 -0.36 0.00 0.00 55.97 55.19 3i19 s LYS 45 Cb -0.08 -1.38 -0.03 0.00 -1.51 0.00 0.00 37.83 34.83 3i19 s LYS 45 CO -0.00 -0.02 -0.14 -0.06 -0.36 0.00 0.00 175.35 174.77 3i19 s PHE 46 N 0.82 2.69 -0.06 4.03 0.08 0.34 -1.57 117.98 124.32 3i19 s PHE 46 Ca -0.12 -0.17 0.03 0.00 0.12 0.00 0.00 56.93 56.79 3i19 s PHE 46 Cb -0.15 -1.54 0.01 0.00 -0.57 0.00 0.00 43.02 40.76 3i19 s PHE 46 CO 0.02 0.28 -0.14 0.42 -0.10 0.00 0.00 175.22 175.69 3i19 s ILE 47 N -0.91 1.26 -0.39 0.64 -1.09 0.95 -1.14 121.20 120.53 3i19 s ILE 47 Ca 0.15 -0.57 -0.27 0.00 -2.23 0.00 0.00 60.65 57.72 3i19 s ILE 47 Cb -0.11 -1.13 0.02 0.00 -1.58 0.00 0.00 42.46 39.67 3i19 s ILE 47 CO 0.05 0.38 1.02 0.00 -1.23 0.00 0.00 174.94 175.16 3i19 n THR 49 N 6.21 0.00 -0.10 0.00 -2.24 -0.52 -3.64 114.28 113.99 3i19 n THR 49 Ca 0.09 -0.18 0.06 0.00 -2.27 0.00 0.00 64.05 61.76 3i19 n THR 49 Cb 0.48 0.31 0.16 0.00 -2.10 0.00 0.00 70.33 69.18 3i19 n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i19 n THR 50 N -0.19 0.86 0.00 4.28 -2.24 -1.25 -4.98 114.28 110.76 3i19 n THR 50 Ca 0.18 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3i19 n THR 50 Cb 0.32 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 3i19 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i19 n GLY 51 N 0.69 0.40 3.71 3.38 0.00 -1.24 -4.98 105.19 107.15 3i19 n GLY 51 Ca 0.13 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 3i19 n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i19 s LYS 52 N 0.00 4.53 0.03 1.61 2.20 -1.26 -4.42 119.74 122.43 3i19 s LYS 52 Ca 0.00 1.47 -0.30 0.00 -0.36 0.00 0.00 55.97 56.78 3i19 s LYS 52 Cb 0.00 -3.45 -0.06 0.00 -1.51 0.00 0.00 37.83 32.80 3i19 s LYS 52 CO 0.00 -0.11 1.46 -1.17 -0.36 0.00 0.00 175.35 175.17 3i19 s LEU 53 N 1.13 4.34 0.00 5.43 2.96 -1.26 -4.91 118.68 126.37 3i19 s LEU 53 Ca 0.53 2.23 0.31 0.00 -0.22 0.00 0.00 54.13 56.98 3i19 s LEU 53 Cb -0.22 -3.56 1.66 0.00 0.50 0.00 0.00 46.19 44.56 3i19 s LEU 53 CO 0.27 -0.75 2.11 -0.81 -1.32 0.00 0.00 176.35 175.85 3i19 n PRO 54 N 5.21 0.76 -4.31 0.98 -0.04 -1.26 -4.78 135.00 131.55 3i19 n PRO 54 Ca 0.13 -0.05 -0.17 0.00 -0.04 0.00 0.00 63.50 63.38 3i19 n PRO 54 Cb 0.43 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 3i19 n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3i19 s VAL 55 N -2.28 1.28 0.29 0.52 -7.23 -1.26 -4.61 120.40 107.12 3i19 s VAL 55 Ca 0.38 -2.09 -0.29 0.00 -1.81 0.00 0.00 61.98 58.17 3i19 s VAL 55 Cb 0.21 -2.09 -0.10 0.00 0.56 0.00 0.00 36.38 34.96 3i19 s VAL 55 CO 0.42 -0.55 1.25 -2.84 -0.31 0.00 0.00 175.10 173.07 3i19 s PRO 56 N -3.76 4.44 0.25 4.82 0.02 -1.26 -4.93 135.00 134.58 3i19 s PRO 56 Ca 0.22 2.08 -0.04 0.00 0.02 0.00 0.00 61.00 63.28 3i19 s PRO 56 Cb 0.03 -3.13 0.47 0.00 0.02 0.00 0.00 34.50 31.90 3i19 s PRO 56 CO 0.05 -0.09 1.71 -1.49 -0.33 0.00 0.00 177.00 176.85 3i19 h TRP 57 N 3.89 0.42 -0.48 6.54 4.06 -1.96 -1.17 115.95 127.24 3i19 h TRP 57 Ca -0.48 0.04 0.14 0.00 2.06 0.00 0.00 58.89 60.65 3i19 h TRP 57 Cb 1.22 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 29.29 3i19 h TRP 57 CO 0.58 -0.01 0.40 -1.35 -3.56 0.00 0.00 178.44 174.50 3i19 h PRO 58 N 0.36 0.00 0.00 0.49 0.11 -1.91 -0.54 132.00 130.51 3i19 h PRO 58 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 3i19 h PRO 58 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 3i19 h PRO 58 CO -0.45 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.59 3i19 n THR 59 N -4.08 0.52 0.79 -1.15 -2.24 -0.44 -3.17 114.28 104.51 3i19 n THR 59 Ca 0.09 0.10 0.08 0.00 -2.27 0.00 0.00 64.05 62.05 3i19 n THR 59 Cb 0.61 -0.76 -0.09 0.00 -2.10 0.00 0.00 70.33 67.98 3i19 n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i19 n LEU 60 N -1.60 0.85 -0.06 3.22 4.77 -0.22 -4.66 117.00 119.30 3i19 n LEU 60 Ca 0.05 -0.51 -0.07 0.00 -0.03 0.00 0.00 56.01 55.44 3i19 n LEU 60 Cb 0.27 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 3i19 n LEU 60 CO 0.21 0.21 0.73 0.58 -1.33 0.00 0.00 177.39 177.79 3i19 h VAL 61 N 0.11 0.48 0.00 4.08 2.07 -1.49 -0.78 116.25 120.72 3i19 h VAL 61 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 3i19 h VAL 61 Cb 0.41 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3i19 h VAL 61 CO 0.00 0.00 -0.27 0.71 0.02 0.00 0.00 177.57 178.03 3i19 h THR 62 N -0.17 1.14 -0.03 2.57 1.35 -1.83 -2.85 112.91 113.09 3i19 h THR 62 Ca 0.15 -0.95 -0.12 0.00 -0.55 0.00 0.00 66.41 64.94 3i19 h THR 62 Cb 0.39 1.52 0.01 0.00 -1.73 0.00 0.00 68.15 68.34 3i19 h THR 62 CO -0.37 0.27 -0.46 0.74 -0.25 0.00 0.00 175.52 175.45 3i19 h THR 63 N 0.00 1.44 0.00 6.82 2.02 -1.70 -3.46 112.91 118.03 3i19 h THR 63 Ca -0.00 -1.94 -0.06 0.00 0.77 0.00 0.00 66.41 65.18 3i19 h THR 63 Cb 0.50 2.50 -0.02 0.00 -1.74 0.00 0.00 68.15 69.39 3i19 h THR 63 CO 0.04 0.56 0.07 0.18 0.37 0.00 0.00 175.52 176.73 3i19 n LEU 64 N -4.32 2.39 0.00 2.58 4.77 -0.35 -5.04 117.00 117.02 3i19 n LEU 64 Ca -0.09 -1.53 0.00 0.00 -0.03 0.00 0.00 56.01 54.36 3i19 n LEU 64 Cb 0.59 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3i19 n LEU 64 CO 0.44 0.48 0.00 1.33 -1.33 0.00 0.00 177.39 178.32 3i19 n VAL 68 N 2.48 0.00 0.80 4.08 0.24 -1.26 -4.98 118.33 119.68 3i19 n VAL 68 Ca 0.14 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.52 3i19 n VAL 68 Cb 0.36 0.00 0.42 0.00 -1.47 0.00 0.00 33.84 33.15 3i19 n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i19 n GLN 69 N 0.00 0.27 0.17 7.34 6.02 -1.26 -1.42 117.38 128.50 3i19 n GLN 69 Ca 0.00 0.12 0.12 0.00 -0.01 0.00 0.00 57.00 57.22 3i19 n GLN 69 Cb 0.00 -1.50 0.60 0.00 1.02 0.00 0.00 30.24 30.36 3i19 n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i19 n PHE 71 N -2.29 0.18 -1.70 0.00 3.72 -0.51 -4.72 117.46 112.15 3i19 n PHE 71 Ca -0.01 -0.09 -0.41 0.00 -0.05 0.00 0.00 57.45 56.88 3i19 n PHE 71 Cb 0.05 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.60 3i19 n PHE 71 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3i19 n SER 72 N 0.43 2.55 -4.58 4.37 7.64 -0.77 -4.16 113.62 119.10 3i19 n SER 72 Ca 0.17 1.13 -0.43 0.00 1.01 0.00 0.00 58.87 60.75 3i19 n SER 72 Cb 0.37 -1.49 -0.04 0.00 -1.01 0.00 0.00 64.21 62.04 3i19 n SER 72 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3i19 s ARG 73 N -2.13 3.66 -0.25 1.43 3.52 -0.08 -4.78 118.95 120.32 3i19 s ARG 73 Ca 0.60 0.37 -0.18 0.00 -0.13 0.00 0.00 55.73 56.39 3i19 s ARG 73 Cb -0.52 -3.88 -0.03 0.00 -1.56 0.00 0.00 34.95 28.95 3i19 s ARG 73 CO 0.59 -1.17 0.51 0.71 -0.81 0.00 0.00 175.30 175.13 3i19 s TYR 74 N 3.80 3.28 0.61 5.12 1.51 -1.26 -0.72 117.35 129.68 3i19 s TYR 74 Ca 0.39 0.64 -0.18 0.00 -1.01 0.00 0.00 57.07 56.92 3i19 s TYR 74 Cb -0.10 -2.70 -0.06 0.00 -0.11 0.00 0.00 41.96 38.99 3i19 s TYR 74 CO 0.25 -0.25 0.76 -2.30 -1.11 0.00 0.00 175.55 172.89 3i19 n PRO 75 N 5.42 0.67 -0.28 -1.71 -0.02 -1.26 -4.69 135.00 133.13 3i19 n PRO 75 Ca -0.04 0.27 0.09 0.00 -2.02 0.00 0.00 63.50 61.79 3i19 n PRO 75 Cb 0.50 -1.96 0.24 0.00 -0.02 0.00 0.00 33.50 32.25 3i19 n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3i19 h ASP 76 N 0.27 0.25 0.32 2.55 3.58 -2.00 0.22 116.42 121.61 3i19 h ASP 76 Ca -0.47 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.11 3i19 h ASP 76 Cb 1.38 0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.55 3i19 h ASP 76 CO 0.48 0.04 0.00 0.00 -2.88 0.00 0.00 179.24 176.88 3i19 n HIS 77 N -5.05 0.00 0.03 0.28 1.44 -1.26 -2.52 115.22 108.15 3i19 n HIS 77 Ca 0.18 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.91 3i19 n HIS 77 Cb 0.52 -0.28 0.04 0.00 0.12 0.00 0.00 29.99 30.39 3i19 n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3i19 n MET 78 N -1.28 1.54 0.31 -1.40 2.81 0.73 -4.74 117.12 115.09 3i19 n MET 78 Ca 0.08 -1.31 0.20 0.00 -1.81 0.00 0.00 57.70 54.86 3i19 n MET 78 Cb 0.14 -1.09 1.00 0.00 -0.71 0.00 0.00 33.22 32.55 3i19 n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3i19 h LYS 79 N 0.79 0.00 0.00 0.03 1.57 -1.15 -0.29 116.57 117.52 3i19 h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i19 h LYS 79 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3i19 h LYS 79 CO 0.00 0.02 0.00 0.00 -0.57 0.00 0.00 179.45 178.90 3i19 n GLN 80 N -3.22 0.88 -0.03 3.15 0.00 -1.26 -2.99 117.38 113.91 3i19 n GLN 80 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 57.00 57.02 3i19 n GLN 80 Cb 0.15 -1.19 0.06 0.00 0.00 0.00 0.00 30.24 29.26 3i19 n GLN 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3i19 n HIS 81 N -0.69 0.00 -3.11 2.61 8.25 -0.12 -4.78 115.22 117.38 3i19 n HIS 81 Ca 0.08 -0.70 -0.45 0.00 -0.26 0.00 0.00 57.72 56.39 3i19 n HIS 81 Cb 0.04 -0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.04 3i19 n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3i19 s ASP 82 N -1.76 6.71 0.18 0.41 -1.08 -1.16 -4.55 116.67 115.43 3i19 s ASP 82 Ca 0.13 -2.38 -0.10 0.00 -0.52 0.00 0.00 52.55 49.68 3i19 s ASP 82 Cb 0.11 -2.31 0.10 0.00 -1.46 0.00 0.00 42.92 39.36 3i19 s ASP 82 CO 0.01 -0.83 1.74 0.15 0.52 0.00 0.00 175.17 176.76 3i19 h PHE 83 N 8.30 1.02 -0.56 -5.34 3.57 -1.92 -3.09 116.94 118.91 3i19 h PHE 83 Ca 0.14 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.58 3i19 h PHE 83 Cb 1.02 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 3i19 h PHE 83 CO 1.10 0.80 0.35 0.74 -2.23 0.00 0.00 178.31 179.08 3i19 h PHE 84 N 0.93 0.65 0.00 0.41 0.04 -1.90 -2.04 116.94 115.04 3i19 h PHE 84 Ca 0.22 0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.87 3i19 h PHE 84 Cb 0.23 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 3i19 h PHE 84 CO 0.02 0.38 -0.67 0.87 -0.60 0.00 0.00 178.31 178.31 3i19 h LYS 85 N 0.70 0.00 0.00 1.51 1.57 -1.85 -3.33 116.57 115.17 3i19 h LYS 85 Ca 0.22 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 3i19 h LYS 85 Cb -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3i19 h LYS 85 CO -0.09 0.67 -0.06 0.66 -0.57 0.00 0.00 179.45 180.06 3i19 h SER 86 N 0.00 0.00 -0.23 0.86 4.64 -1.27 -2.07 113.55 115.47 3i19 h SER 86 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3i19 h SER 86 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 3i19 h SER 86 CO 0.09 0.06 0.00 1.33 -0.87 0.00 0.00 176.83 177.44 3i19 n VAL 87 N -4.22 0.29 -3.13 0.95 0.24 -1.20 -4.75 118.33 106.51 3i19 n VAL 87 Ca -0.03 -0.56 -0.39 0.00 -2.04 0.00 0.00 64.34 61.32 3i19 n VAL 87 Cb 0.14 0.90 -0.06 0.00 -1.47 0.00 0.00 33.84 33.35 3i19 n VAL 87 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3i19 s MET 88 N -1.71 4.38 0.00 7.34 1.00 -0.78 -1.16 119.30 128.37 3i19 s MET 88 Ca 0.35 0.92 0.18 0.00 0.00 0.00 0.00 55.69 57.14 3i19 s MET 88 Cb 0.21 -3.28 -0.05 0.00 0.00 0.00 0.00 34.83 31.71 3i19 s MET 88 CO 0.30 0.52 0.88 -0.35 0.00 0.00 0.00 175.02 176.37 3i19 n PRO 89 N 2.00 1.49 0.14 2.03 -0.04 -1.26 -2.37 135.00 136.99 3i19 n PRO 89 Ca -0.07 -0.66 0.08 0.00 -0.04 0.00 0.00 63.50 62.81 3i19 n PRO 89 Cb 0.50 -1.33 0.57 0.00 -0.04 0.00 0.00 33.50 33.19 3i19 n PRO 89 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3i19 h GLU 90 N 1.51 0.20 0.00 0.54 4.81 -1.87 -2.74 114.58 117.04 3i19 h GLU 90 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3i19 h GLU 90 Cb 0.56 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3i19 h GLU 90 CO 0.00 0.13 0.00 0.41 -0.73 0.00 0.00 179.01 178.82 3i19 n GLY 91 N -1.52 -3.15 3.10 1.92 0.00 -0.31 -4.64 105.19 100.59 3i19 n GLY 91 Ca 0.00 -2.12 -0.10 0.00 0.00 0.00 0.00 46.02 43.80 3i19 n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3i19 s TYR 92 N -0.66 0.67 0.04 1.61 -0.85 -0.22 -1.83 117.35 116.12 3i19 s TYR 92 Ca 0.00 -0.77 -0.22 0.00 -0.52 0.00 0.00 57.07 55.56 3i19 s TYR 92 Cb 0.00 -0.42 -0.06 0.00 0.38 0.00 0.00 41.96 41.87 3i19 s TYR 92 CO 0.00 -0.18 0.66 0.08 -1.52 0.00 0.00 175.55 174.59 3i19 s VAL 93 N -2.73 4.77 -0.16 -3.49 1.01 0.52 -1.28 120.40 119.03 3i19 s VAL 93 Ca 0.01 1.39 0.01 0.00 0.00 0.00 0.00 61.98 63.40 3i19 s VAL 93 Cb -0.01 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.39 3i19 s VAL 93 CO -0.04 0.44 -0.20 -1.58 0.00 0.00 0.00 175.10 173.72 3i19 s GLN 94 N -0.42 3.03 0.06 2.72 0.74 -0.24 -1.66 119.66 123.89 3i19 s GLN 94 Ca 0.33 -0.83 0.09 0.00 0.05 0.00 0.00 55.36 55.00 3i19 s GLN 94 Cb -0.20 -2.52 -0.03 0.00 1.10 0.00 0.00 33.01 31.36 3i19 s GLN 94 CO 0.20 -0.10 -0.25 -1.21 -0.55 0.00 0.00 175.29 173.38 3i19 s GLU 95 N 1.03 1.61 0.03 1.67 2.02 -0.05 -0.63 118.70 124.38 3i19 s GLU 95 Ca -0.01 -1.10 -0.03 0.00 0.02 0.00 0.00 54.97 53.85 3i19 s GLU 95 Cb -0.14 -1.81 -0.02 0.00 0.10 0.00 0.00 34.13 32.26 3i19 s GLU 95 CO -0.06 0.46 0.04 1.03 0.02 0.00 0.00 175.26 176.75 3i19 s ARG 96 N -1.35 0.52 -0.10 1.61 0.52 -0.73 -0.83 118.95 118.59 3i19 s ARG 96 Ca 0.11 -0.79 0.03 0.00 -0.52 0.00 0.00 55.73 54.56 3i19 s ARG 96 Cb -0.10 0.19 -0.01 0.00 0.52 0.00 0.00 34.95 35.56 3i19 s ARG 96 CO 0.03 -0.11 -0.20 0.99 0.02 0.00 0.00 175.30 176.02 3i19 s THR 97 N -2.51 2.41 -0.23 0.02 2.01 -0.54 -1.16 115.64 115.64 3i19 s THR 97 Ca -0.06 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.04 3i19 s THR 97 Cb -0.02 -1.94 0.04 0.00 0.01 0.00 0.00 72.50 70.59 3i19 s THR 97 CO -0.04 0.55 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.68 3i19 s ILE 98 N 0.17 2.30 -0.37 1.82 1.01 0.36 -1.19 121.20 125.30 3i19 s ILE 98 Ca -0.12 -1.27 -0.15 0.00 0.00 0.00 0.00 60.65 59.11 3i19 s ILE 98 Cb -0.16 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 40.12 3i19 s ILE 98 CO 0.06 0.20 0.36 -0.36 0.00 0.00 0.00 174.94 175.21 3i19 s PHE 99 N 1.21 3.20 -0.35 3.97 0.08 -0.12 -1.00 117.98 124.97 3i19 s PHE 99 Ca -0.02 -0.21 -0.25 0.00 0.12 0.00 0.00 56.93 56.56 3i19 s PHE 99 Cb -0.17 -2.70 0.01 0.00 -0.57 0.00 0.00 43.02 39.59 3i19 s PHE 99 CO -0.07 -0.52 0.89 -0.06 -0.10 0.00 0.00 175.22 175.36 3i19 s PHE 100 N 1.98 3.11 0.18 0.36 0.08 -0.42 -0.83 117.98 122.43 3i19 s PHE 100 Ca 0.10 0.77 -0.33 0.00 0.12 0.00 0.00 56.93 57.60 3i19 s PHE 100 Cb -0.17 -3.55 -0.13 0.00 -0.57 0.00 0.00 43.02 38.60 3i19 s PHE 100 CO 0.12 -0.77 1.57 1.17 -0.10 0.00 0.00 175.22 177.21 3i19 n LYS 101 N 6.64 2.23 -2.08 0.44 4.81 -0.65 -0.85 118.16 128.69 3i19 n LYS 101 Ca 0.06 0.80 -0.19 0.00 -0.87 0.00 0.00 58.31 58.11 3i19 n LYS 101 Cb 0.48 -2.57 -0.04 0.00 0.02 0.00 0.00 35.03 32.93 3i19 n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3i19 n ASP 102 N 3.26 -5.47 0.00 3.14 8.00 -1.26 -4.80 116.55 119.41 3i19 n ASP 102 Ca 0.16 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.82 3i19 n ASP 102 Cb 0.30 -4.57 0.00 0.00 -0.02 0.00 0.00 41.12 36.83 3i19 n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3i19 n ASP 103 N -1.48 0.00 -2.09 -2.24 -0.08 -0.03 -4.95 116.55 105.67 3i19 n ASP 103 Ca -0.22 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.06 3i19 n ASP 103 Cb 0.66 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.12 3i19 n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i19 n GLY 104 N 0.00 -0.81 3.07 0.27 0.00 -1.00 -4.62 105.19 102.10 3i19 n GLY 104 Ca 0.00 -1.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.18 3i19 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i19 s ASN 105 N -1.00 0.92 -0.12 1.61 2.20 -0.83 -1.31 114.94 116.41 3i19 s ASN 105 Ca 0.00 -0.54 -0.07 0.00 -0.94 0.00 0.00 52.86 51.31 3i19 s ASN 105 Cb 0.00 0.02 -0.04 0.00 -2.00 0.00 0.00 41.25 39.23 3i19 s ASN 105 CO 0.00 -0.18 0.14 -0.31 -2.94 0.00 0.00 177.10 173.81 3i19 s TYR 106 N -1.32 3.59 -0.11 1.54 2.02 -0.17 -2.04 117.35 120.86 3i19 s TYR 106 Ca -0.09 0.52 0.03 0.00 -0.37 0.00 0.00 57.07 57.16 3i19 s TYR 106 Cb -0.10 -1.94 0.00 0.00 -0.40 0.00 0.00 41.96 39.52 3i19 s TYR 106 CO 0.01 0.73 -0.22 0.15 -1.57 0.00 0.00 175.55 174.64 3i19 s LYS 107 N -1.00 3.08 0.03 -0.62 1.02 0.76 -0.49 119.74 122.53 3i19 s LYS 107 Ca 0.15 -0.85 0.06 0.00 0.02 0.00 0.00 55.97 55.35 3i19 s LYS 107 Cb -0.12 -2.38 -0.02 0.00 -0.52 0.00 0.00 37.83 34.79 3i19 s LYS 107 CO 0.04 0.13 -0.18 0.95 -0.92 0.00 0.00 175.35 175.37 3i19 s THR 108 N 0.47 1.41 -0.04 2.17 -4.23 -0.31 -0.84 115.64 114.27 3i19 s THR 108 Ca -0.15 -1.04 0.01 0.00 -1.18 0.00 0.00 61.69 59.33 3i19 s THR 108 Cb -0.17 -1.23 0.02 0.00 1.34 0.00 0.00 72.50 72.46 3i19 s THR 108 CO 0.06 0.16 -0.03 0.00 -0.54 0.00 0.00 174.62 174.27 3i19 s ARG 109 N -1.02 0.65 0.03 3.99 1.70 -0.45 -1.77 118.95 122.08 3i19 s ARG 109 Ca 0.05 -0.06 0.02 0.00 -0.47 0.00 0.00 55.73 55.27 3i19 s ARG 109 Cb -0.08 -0.70 -0.02 0.00 -0.57 0.00 0.00 34.95 33.58 3i19 s ARG 109 CO 0.01 -0.08 -0.06 0.00 -1.08 0.00 0.00 175.30 174.09 3i19 s ALA 110 N 0.86 0.44 -0.20 7.88 0.00 0.19 -0.92 121.76 130.02 3i19 s ALA 110 Ca -0.11 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 3i19 s ALA 110 Cb -0.14 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.05 3i19 s ALA 110 CO -0.00 -0.05 -0.11 -2.00 0.00 0.00 0.00 175.76 173.60 3i19 s GLU 111 N -1.47 3.22 -0.22 0.00 2.12 -0.04 -1.08 118.70 121.24 3i19 s GLU 111 Ca -0.11 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 54.52 3i19 s GLU 111 Cb -0.10 -2.82 0.03 0.00 0.26 0.00 0.00 34.13 31.50 3i19 s GLU 111 CO 0.00 -0.19 -0.13 0.08 -0.54 0.00 0.00 175.26 174.47 3i19 s VAL 112 N 1.37 2.40 0.18 3.70 1.01 -0.41 -1.37 120.40 127.28 3i19 s VAL 112 Ca 0.05 -1.05 -0.24 0.00 0.00 0.00 0.00 61.98 60.74 3i19 s VAL 112 Cb -0.14 -2.15 0.05 0.00 0.00 0.00 0.00 36.38 34.15 3i19 s VAL 112 CO -0.07 0.34 0.83 -1.59 0.00 0.00 0.00 175.10 174.61 3i19 s LYS 113 N 1.28 1.37 0.12 2.72 -2.85 -0.75 -1.06 119.74 120.57 3i19 s LYS 113 Ca 0.01 -0.71 -0.27 0.00 -1.00 0.00 0.00 55.97 54.00 3i19 s LYS 113 Cb -0.15 0.49 -0.07 0.00 -2.06 0.00 0.00 37.83 36.04 3i19 s LYS 113 CO -0.09 -0.62 0.83 -0.06 0.10 0.00 0.00 175.35 175.51 3i19 s PHE 114 N -3.54 3.84 -0.38 1.78 0.40 -1.03 -0.71 117.98 118.34 3i19 s PHE 114 Ca 0.10 1.65 -0.00 0.00 -0.60 0.00 0.00 56.93 58.07 3i19 s PHE 114 Cb -0.03 -2.87 0.11 0.00 0.51 0.00 0.00 43.02 40.74 3i19 s PHE 114 CO 0.01 0.36 0.14 -1.21 0.70 0.00 0.00 175.22 175.22 3i19 s GLU 115 N -0.52 1.80 7.47 0.44 0.41 0.48 -4.93 118.70 123.84 3i19 s GLU 115 Ca 0.40 -1.85 0.00 0.00 -0.41 0.00 0.00 54.97 53.11 3i19 s GLU 115 Cb -0.23 -3.44 0.00 0.00 -1.78 0.00 0.00 34.13 28.69 3i19 s GLU 115 CO 0.26 -1.02 0.00 0.41 -0.49 0.00 0.00 175.26 174.42 3i19 n GLY 116 N 4.45 2.74 0.80 -1.39 0.00 -1.26 -2.35 105.19 108.18 3i19 n GLY 116 Ca 0.00 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.88 3i19 n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i19 n ASP 117 N 6.65 2.39 -4.60 1.61 5.75 -1.26 -4.90 116.55 122.20 3i19 n ASP 117 Ca 0.00 -1.84 -0.34 0.00 -0.01 0.00 0.00 54.79 52.60 3i19 n ASP 117 Cb 0.00 -0.17 -0.10 0.00 -1.03 0.00 0.00 41.12 39.81 3i19 n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3i19 s THR 118 N -1.66 4.47 -0.20 2.12 2.01 -0.99 -4.29 115.64 117.09 3i19 s THR 118 Ca 0.34 -0.15 -0.25 0.00 0.31 0.00 0.00 61.69 61.94 3i19 s THR 118 Cb 0.19 -2.98 -0.01 0.00 0.01 0.00 0.00 72.50 69.71 3i19 s THR 118 CO 0.28 0.49 0.84 -0.22 -0.69 0.00 0.00 174.62 175.31 3i19 s LEU 119 N 0.25 4.13 -0.06 4.42 1.98 -0.33 -0.39 118.68 128.68 3i19 s LEU 119 Ca 0.01 1.12 0.05 0.00 -2.89 0.00 0.00 54.13 52.43 3i19 s LEU 119 Cb -0.13 -3.23 -0.02 0.00 0.66 0.00 0.00 46.19 43.48 3i19 s LEU 119 CO 0.01 -0.46 -0.21 0.68 -1.89 0.00 0.00 176.35 174.48 3i19 s VAL 120 N 2.49 2.46 -0.30 1.68 -7.23 0.12 -1.25 120.40 118.37 3i19 s VAL 120 Ca 0.37 -0.93 0.03 0.00 -1.81 0.00 0.00 61.98 59.64 3i19 s VAL 120 Cb -0.16 -1.93 0.08 0.00 0.56 0.00 0.00 36.38 34.93 3i19 s VAL 120 CO 0.10 0.57 -0.03 0.21 -0.31 0.00 0.00 175.10 175.64 3i19 s ASN 121 N -0.36 4.64 -0.23 4.85 3.04 -0.04 -1.81 114.94 125.02 3i19 s ASN 121 Ca 0.03 -1.68 -0.08 0.00 0.04 0.00 0.00 52.86 51.17 3i19 s ASN 121 Cb -0.12 -1.60 -0.04 0.00 -1.54 0.00 0.00 41.25 37.95 3i19 s ASN 121 CO 0.02 -0.28 0.08 -0.13 -3.04 0.00 0.00 177.10 173.75 3i19 s ARG 122 N 1.04 3.79 -0.00 0.43 0.52 -0.47 -1.09 118.95 123.17 3i19 s ARG 122 Ca -0.01 -0.42 0.05 0.00 -0.52 0.00 0.00 55.73 54.83 3i19 s ARG 122 Cb -0.20 -3.34 -0.01 0.00 0.52 0.00 0.00 34.95 31.92 3i19 s ARG 122 CO -0.06 -0.05 -0.16 0.42 0.02 0.00 0.00 175.30 175.47 3i19 s ILE 123 N 1.28 1.25 -0.10 1.52 1.01 0.58 -0.86 121.20 125.87 3i19 s ILE 123 Ca 0.05 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.97 3i19 s ILE 123 Cb -0.15 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 3i19 s ILE 123 CO 0.04 0.29 -0.18 -1.61 0.00 0.00 0.00 174.94 173.48 3i19 s GLU 124 N -0.53 3.08 -0.06 2.79 2.02 -0.10 -1.29 118.70 124.61 3i19 s GLU 124 Ca 0.06 -0.77 0.04 0.00 0.02 0.00 0.00 54.97 54.32 3i19 s GLU 124 Cb -0.06 -2.45 -0.00 0.00 0.10 0.00 0.00 34.13 31.72 3i19 s GLU 124 CO -0.00 0.27 -0.20 -1.17 0.02 0.00 0.00 175.26 174.18 3i19 s LEU 125 N 0.16 1.95 -0.13 1.80 0.20 0.04 -1.34 118.68 121.37 3i19 s LEU 125 Ca -0.10 -0.43 0.00 0.00 0.69 0.00 0.00 54.13 54.30 3i19 s LEU 125 Cb -0.16 -1.14 0.02 0.00 -0.43 0.00 0.00 46.19 44.48 3i19 s LEU 125 CO 0.06 0.16 -0.13 -0.75 -0.29 0.00 0.00 176.35 175.40 3i19 s LYS 126 N 0.17 2.06 -0.10 1.98 2.47 -0.02 -1.54 119.74 124.75 3i19 s LYS 126 Ca -0.09 -0.47 0.03 0.00 -1.56 0.00 0.00 55.97 53.87 3i19 s LYS 126 Cb -0.14 -1.90 -0.01 0.00 -1.46 0.00 0.00 37.83 34.32 3i19 s LYS 126 CO 0.04 -0.20 -0.19 0.20 0.16 0.00 0.00 175.35 175.36 3i19 s GLY 127 N 1.42 1.43 0.14 5.54 0.00 0.79 -0.17 107.32 116.46 3i19 s GLY 127 Ca 0.02 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.79 3i19 s GLY 127 CO -0.08 -0.39 0.00 -0.26 0.00 0.00 0.00 173.10 172.38 3i19 s ILE 128 N 0.12 0.50 -0.96 0.90 -4.36 -0.86 -0.97 121.20 115.56 3i19 s ILE 128 Ca -0.09 -1.94 -0.00 0.00 -0.26 0.00 0.00 60.65 58.35 3i19 s ILE 128 Cb -0.16 -1.99 0.00 0.00 1.25 0.00 0.00 42.46 41.57 3i19 s ILE 128 CO 0.06 -0.57 0.01 0.47 0.24 0.00 0.00 174.94 175.15 3i19 n ASP 129 N -0.15 -3.69 -4.87 4.36 8.00 -1.26 -1.97 116.55 116.98 3i19 n ASP 129 Ca -0.08 -0.02 -0.33 0.00 0.71 0.00 0.00 54.79 55.07 3i19 n ASP 129 Cb 0.63 -2.90 -0.05 0.00 -0.02 0.00 0.00 41.12 38.77 3i19 n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3i19 s PHE 130 N -2.58 3.52 0.02 1.24 0.08 -1.26 -2.38 117.98 116.62 3i19 s PHE 130 Ca 0.01 0.80 -0.22 0.00 0.12 0.00 0.00 56.93 57.64 3i19 s PHE 130 Cb -0.00 -2.18 -0.06 0.00 -0.57 0.00 0.00 43.02 40.21 3i19 s PHE 130 CO 0.01 0.42 0.64 0.15 -0.10 0.00 0.00 175.22 176.34 3i19 s LYS 131 N -2.33 4.36 0.30 0.44 1.02 -1.26 -4.90 119.74 117.38 3i19 s LYS 131 Ca 0.39 0.84 0.04 0.00 0.02 0.00 0.00 55.97 57.27 3i19 s LYS 131 Cb -0.13 -3.33 0.67 0.00 -0.52 0.00 0.00 37.83 34.51 3i19 s LYS 131 CO 0.21 0.38 1.81 0.93 -0.92 0.00 0.00 175.35 177.76 3i19 h GLU 132 N 5.48 0.84 -0.05 1.68 3.07 -1.97 -1.73 114.58 121.89 3i19 h GLU 132 Ca -0.45 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 3i19 h GLU 132 Cb 1.20 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 3i19 h GLU 132 CO 0.69 0.55 0.00 -0.40 -1.40 0.00 0.00 179.01 178.45 3i19 n ASP 133 N -4.67 2.26 -3.25 1.42 5.68 -1.26 -3.79 116.55 112.94 3i19 n ASP 133 Ca 0.21 -2.25 -0.21 0.00 -0.50 0.00 0.00 54.79 52.04 3i19 n ASP 133 Cb 0.46 -0.13 0.18 0.00 -1.14 0.00 0.00 41.12 40.49 3i19 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i19 n GLY 134 N -0.55 -2.60 0.23 6.12 0.00 -0.65 -4.61 105.19 103.13 3i19 n GLY 134 Ca 0.05 -1.49 0.11 0.00 0.00 0.00 0.00 46.02 44.69 3i19 n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3i19 h ASN 135 N -2.17 0.00 0.00 1.61 2.35 -1.93 0.05 115.58 115.50 3i19 h ASN 135 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 3i19 h ASN 135 Cb 0.89 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.26 3i19 h ASN 135 CO 0.19 0.20 -0.20 0.40 -1.65 0.00 0.00 177.43 176.37 3i19 h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.91 -1.46 117.51 121.97 3i19 h ILE 136 Ca -0.00 -0.58 -0.02 0.00 -0.12 0.00 0.00 64.86 64.13 3i19 h ILE 136 Cb 0.64 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.43 3i19 h ILE 136 CO 0.03 0.00 -0.12 -0.07 -0.68 0.00 0.00 178.15 177.31 3i19 h LEU 137 N -0.58 0.00 -1.14 1.44 3.38 -1.75 -2.63 115.31 114.02 3i19 h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i19 h LEU 137 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3i19 h LEU 137 CO 0.00 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.26 3i19 n GLY 138 N -0.13 0.28 3.59 0.83 0.00 0.01 -4.90 105.19 104.85 3i19 n GLY 138 Ca -0.00 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 3i19 n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i19 n HIS 139 N 0.36 -2.04 -0.99 1.61 8.25 -0.99 -4.91 115.22 116.51 3i19 n HIS 139 Ca 0.17 0.62 0.09 0.00 -0.26 0.00 0.00 57.72 58.34 3i19 n HIS 139 Cb 0.36 -3.77 0.26 0.00 1.12 0.00 0.00 29.99 27.96 3i19 n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3i19 n LYS 140 N -3.97 2.95 -4.20 -0.41 5.02 -0.56 -4.99 118.16 112.00 3i19 n LYS 140 Ca -0.13 -2.84 -0.35 0.00 -2.02 0.00 0.00 58.31 52.97 3i19 n LYS 140 Cb 0.61 -1.85 -0.08 0.00 -0.02 0.00 0.00 35.03 33.70 3i19 n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i19 s LEU 141 N -2.81 3.86 0.68 -0.35 1.43 -1.26 -0.77 118.68 119.45 3i19 s LEU 141 Ca 0.42 0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 53.63 3i19 s LEU 141 Cb 0.34 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.64 3i19 s LEU 141 CO 0.09 0.38 1.11 -1.61 0.23 0.00 0.00 176.35 176.55 3i19 s GLU 142 N -1.00 2.71 -0.47 1.70 2.02 -0.09 -4.84 118.70 118.74 3i19 s GLU 142 Ca 0.15 1.34 -0.02 0.00 0.02 0.00 0.00 54.97 56.46 3i19 s GLU 142 Cb -0.12 -1.94 0.12 0.00 0.10 0.00 0.00 34.13 32.30 3i19 s GLU 142 CO 0.04 -1.31 0.26 -0.47 0.02 0.00 0.00 175.26 173.79 3i19 s TYR 143 N -2.45 3.53 0.00 1.61 5.04 -1.26 -4.83 117.35 119.00 3i19 s TYR 143 Ca 0.66 -2.61 0.00 0.00 -2.44 0.00 0.00 57.07 52.68 3i19 s TYR 143 Cb -0.20 -3.17 0.00 0.00 0.35 0.00 0.00 41.96 38.95 3i19 s TYR 143 CO 0.44 -0.92 0.00 0.27 -1.34 0.00 0.00 175.55 174.00 3i19 n ASN 144 N 4.17 0.00 -3.94 4.32 2.04 -1.26 -4.96 115.26 115.63 3i19 n ASN 144 Ca 0.02 0.00 -0.10 0.00 -0.44 0.00 0.00 54.58 54.06 3i19 n ASN 144 Cb 0.40 0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.54 3i19 n ASN 144 CO 0.00 0.00 0.00 -0.31 -0.44 0.00 0.00 177.26 176.51 3i19 s TYR 145 N 0.00 0.18 -0.05 -2.53 1.51 -1.26 -0.94 117.35 114.26 3i19 s TYR 145 Ca 0.00 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.69 3i19 s TYR 145 Cb 0.00 -0.13 0.02 0.00 -0.11 0.00 0.00 41.96 41.74 3i19 s TYR 145 CO 0.00 -0.20 -0.03 0.42 -1.11 0.00 0.00 175.55 174.63 3i19 s ILE 146 N -1.30 0.47 -0.14 2.71 1.01 -0.48 -4.96 121.20 118.52 3i19 s ILE 146 Ca -0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.43 3i19 s ILE 146 Cb -0.08 -0.54 0.07 0.00 0.01 0.00 0.00 42.46 41.91 3i19 s ILE 146 CO -0.00 0.23 0.22 -0.55 0.00 0.00 0.00 174.94 174.84 3i19 s SER 147 N 1.25 0.76 0.20 3.58 0.15 -1.26 0.02 113.70 118.41 3i19 s SER 147 Ca -0.06 0.29 -0.16 0.00 0.70 0.00 0.00 55.95 56.71 3i19 s SER 147 Cb -0.14 0.48 0.02 0.00 -1.71 0.00 0.00 66.02 64.67 3i19 s SER 147 CO -0.02 -0.27 0.50 -1.00 1.20 0.00 0.00 173.24 173.66 3i19 s HIS 148 N 2.35 -0.01 -0.08 3.44 3.76 -0.76 -4.97 115.29 119.02 3i19 s HIS 148 Ca 0.03 -0.34 -0.16 0.00 -0.15 0.00 0.00 55.06 54.44 3i19 s HIS 148 Cb -0.13 0.34 -0.05 0.00 1.11 0.00 0.00 32.58 33.85 3i19 s HIS 148 CO -0.09 -0.92 0.41 -0.80 -0.85 0.00 0.00 174.74 172.49 3i19 s ASN 149 N -2.90 6.68 -0.39 1.40 0.01 -1.26 -1.63 114.94 116.83 3i19 s ASN 149 Ca 0.12 0.80 -0.15 0.00 -0.71 0.00 0.00 52.86 52.92 3i19 s ASN 149 Cb -0.01 -2.25 0.01 0.00 0.41 0.00 0.00 41.25 39.42 3i19 s ASN 149 CO -0.01 0.15 0.33 -0.69 -1.51 0.00 0.00 177.10 175.37 3i19 s VAL 150 N -0.08 5.22 -0.24 1.60 1.01 -0.02 -4.69 120.40 123.19 3i19 s VAL 150 Ca 0.23 -0.45 -0.22 0.00 0.00 0.00 0.00 61.98 61.54 3i19 s VAL 150 Cb -0.15 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 3i19 s VAL 150 CO 0.10 -0.27 0.69 -0.31 0.00 0.00 0.00 175.10 175.31 3i19 s TYR 151 N 1.82 3.31 -0.09 5.22 2.02 -0.76 -0.72 117.35 128.15 3i19 s TYR 151 Ca 0.07 0.93 0.00 0.00 -0.37 0.00 0.00 57.07 57.70 3i19 s TYR 151 Cb -0.18 -2.89 -0.03 0.00 -0.40 0.00 0.00 41.96 38.46 3i19 s TYR 151 CO 0.11 -0.32 -0.09 0.42 -1.57 0.00 0.00 175.55 174.11 3i19 s ILE 152 N 2.50 3.53 0.06 2.71 1.01 0.18 -1.51 121.20 129.67 3i19 s ILE 152 Ca 0.29 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.44 3i19 s ILE 152 Cb -0.15 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 3i19 s ILE 152 CO 0.09 0.56 -0.07 0.28 0.00 0.00 0.00 174.94 175.79 3i19 s THR 153 N -0.37 0.58 0.44 2.92 -1.32 -0.39 -2.48 115.64 115.02 3i19 s THR 153 Ca 0.05 -1.33 -0.24 0.00 -1.21 0.00 0.00 61.69 58.96 3i19 s THR 153 Cb -0.12 -0.92 -0.08 0.00 -1.51 0.00 0.00 72.50 69.86 3i19 s THR 153 CO 0.02 -0.53 1.15 0.00 -2.21 0.00 0.00 174.62 173.06 3i19 s ALA 154 N -2.04 3.03 -0.62 11.08 0.00 -1.25 -0.76 121.76 131.20 3i19 s ALA 154 Ca -0.04 0.91 0.04 0.00 0.00 0.00 0.00 51.96 52.88 3i19 s ALA 154 Cb -0.05 -3.37 0.15 0.00 0.00 0.00 0.00 23.12 19.85 3i19 s ALA 154 CO -0.01 -0.57 0.40 0.34 0.00 0.00 0.00 175.76 175.92 3i19 s ASP 155 N -1.33 4.49 0.24 0.00 -1.08 0.99 -4.68 116.67 115.30 3i19 s ASP 155 Ca 0.61 -3.49 -0.05 0.00 -0.52 0.00 0.00 52.55 49.10 3i19 s ASP 155 Cb -0.28 -1.57 0.33 0.00 -1.46 0.00 0.00 42.92 39.93 3i19 s ASP 155 CO 0.35 -0.14 1.87 0.50 0.52 0.00 0.00 175.17 178.26 3i19 h LYS 156 N 5.84 1.03 -0.54 4.34 3.64 -1.95 -1.39 116.57 127.54 3i19 h LYS 156 Ca 0.07 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 3i19 h LYS 156 Cb 0.81 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 3i19 h LYS 156 CO 0.69 0.68 0.36 1.96 -2.27 0.00 0.00 179.45 180.87 3i19 h GLN 157 N 1.06 0.42 -0.38 1.90 7.50 -1.94 -1.71 115.11 121.96 3i19 h GLN 157 Ca 0.38 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.50 3i19 h GLN 157 Cb 0.11 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.55 3i19 h GLN 157 CO -0.15 0.28 0.00 1.63 -1.50 0.00 0.00 178.83 179.08 3i19 n LYS 158 N -4.47 2.93 -3.58 1.46 5.02 -0.91 -4.97 118.16 113.63 3i19 n LYS 158 Ca 0.08 -2.28 -0.27 0.00 -2.02 0.00 0.00 58.31 53.83 3i19 n LYS 158 Cb 0.29 -1.42 0.02 0.00 -0.02 0.00 0.00 35.03 33.90 3i19 n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3i19 n ASN 159 N 0.48 -4.89 0.00 4.39 4.05 -0.62 -4.75 115.26 113.92 3i19 n ASN 159 Ca 0.15 -0.57 0.00 0.00 0.45 0.00 0.00 54.58 54.61 3i19 n ASN 159 Cb 0.54 -3.94 0.00 0.00 1.23 0.00 0.00 39.78 37.62 3i19 n ASN 159 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3i19 n GLY 160 N -1.54 4.63 3.20 8.20 0.00 -0.63 -4.44 105.19 114.61 3i19 n GLY 160 Ca -0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 3i19 n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i19 s ILE 161 N 0.33 0.77 0.21 -0.61 -4.36 -0.63 -0.00 121.20 116.91 3i19 s ILE 161 Ca 0.00 -1.97 0.11 0.00 -0.26 0.00 0.00 60.65 58.54 3i19 s ILE 161 Cb 0.00 -1.79 -0.05 0.00 1.25 0.00 0.00 42.46 41.87 3i19 s ILE 161 CO 0.00 -0.78 -0.23 -0.54 0.24 0.00 0.00 174.94 173.64 3i19 s LYS 162 N -3.83 1.53 0.03 0.37 1.02 0.06 -1.18 119.74 117.74 3i19 s LYS 162 Ca 0.15 -1.57 -0.08 0.00 0.02 0.00 0.00 55.97 54.49 3i19 s LYS 162 Cb 0.05 -1.79 -0.00 0.00 -0.52 0.00 0.00 37.83 35.57 3i19 s LYS 162 CO -0.02 0.37 0.15 0.00 -0.92 0.00 0.00 175.35 174.93 3i19 s ALA 163 N -1.88 -0.24 -0.05 5.17 0.00 -0.22 -1.26 121.76 123.28 3i19 s ALA 163 Ca 0.22 -0.37 -0.07 0.00 0.00 0.00 0.00 51.96 51.74 3i19 s ALA 163 Cb -0.07 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.31 3i19 s ALA 163 CO 0.11 -0.33 0.18 1.21 0.00 0.00 0.00 175.76 176.93 3i19 s ASN 164 N -2.03 -0.13 -0.02 0.00 2.47 -0.57 -0.76 114.94 113.91 3i19 s ASN 164 Ca -0.06 0.19 -0.28 0.00 0.42 0.00 0.00 52.86 53.13 3i19 s ASN 164 Cb -0.02 0.33 0.10 0.00 -1.45 0.00 0.00 41.25 40.21 3i19 s ASN 164 CO -0.04 -0.17 0.85 0.72 -3.72 0.00 0.00 177.10 174.74 3i19 s PHE 165 N -0.41 -0.40 -0.33 0.43 -0.71 -0.97 -1.82 117.98 113.77 3i19 s PHE 165 Ca -0.05 0.38 -0.03 0.00 -1.04 0.00 0.00 56.93 56.19 3i19 s PHE 165 Cb -0.03 0.51 0.06 0.00 -1.21 0.00 0.00 43.02 42.35 3i19 s PHE 165 CO 0.01 -0.55 0.05 0.15 -1.34 0.00 0.00 175.22 173.54 3i19 s LYS 166 N -2.67 2.39 0.15 1.99 1.02 -1.26 -0.52 119.74 120.85 3i19 s LYS 166 Ca 0.02 -1.34 -0.19 0.00 0.02 0.00 0.00 55.97 54.47 3i19 s LYS 166 Cb -0.01 -3.30 -0.07 0.00 -0.52 0.00 0.00 37.83 33.92 3i19 s LYS 166 CO -0.06 -0.71 0.65 0.00 -0.92 0.00 0.00 175.35 174.32 3i19 s ALA 167 N 1.26 3.50 -0.28 5.17 0.00 -0.48 -4.94 121.76 126.00 3i19 s ALA 167 Ca -0.02 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.05 3i19 s ALA 167 Cb -0.20 -2.73 0.08 0.00 0.00 0.00 0.00 23.12 20.27 3i19 s ALA 167 CO -0.01 0.37 0.02 1.03 0.00 0.00 0.00 175.76 177.17 3i19 s ARG 168 N -1.59 1.33 -0.20 0.00 0.52 -1.26 -0.29 118.95 117.46 3i19 s ARG 168 Ca 0.37 -1.26 -0.19 0.00 -0.52 0.00 0.00 55.73 54.13 3i19 s ARG 168 Cb -0.18 -2.60 -0.03 0.00 0.52 0.00 0.00 34.95 32.66 3i19 s ARG 168 CO 0.21 -0.80 0.55 -1.01 0.02 0.00 0.00 175.30 174.27 3i19 s HIS 169 N 1.32 3.37 0.24 -0.53 3.76 -0.19 -4.88 115.29 118.39 3i19 s HIS 169 Ca 0.03 0.81 -0.30 0.00 -0.15 0.00 0.00 55.06 55.45 3i19 s HIS 169 Cb -0.18 -2.70 -0.10 0.00 1.11 0.00 0.00 32.58 30.70 3i19 s HIS 169 CO -0.12 -0.12 1.44 -0.80 -0.85 0.00 0.00 174.74 174.29 3i19 s ASN 170 N 1.17 6.66 0.27 1.40 0.01 -1.26 0.28 114.94 123.47 3i19 s ASN 170 Ca 0.25 2.65 -0.05 0.00 -0.71 0.00 0.00 52.86 55.00 3i19 s ASN 170 Cb -0.16 -2.62 -0.05 0.00 0.41 0.00 0.00 41.25 38.83 3i19 s ASN 170 CO 0.10 -0.70 0.53 -0.63 -1.51 0.00 0.00 177.10 174.90 3i19 s ILE 171 N 0.03 5.04 -0.45 0.60 1.01 0.00 -0.91 121.20 126.51 3i19 s ILE 171 Ca 0.59 0.06 0.20 0.00 0.00 0.00 0.00 60.65 61.50 3i19 s ILE 171 Cb -0.42 -3.72 0.21 0.00 0.01 0.00 0.00 42.46 38.54 3i19 s ILE 171 CO 0.43 -0.28 1.62 0.35 0.00 0.00 0.00 174.94 177.06 3i19 n THR 172 N -0.81 1.02 0.96 2.92 -2.24 0.05 -1.06 114.28 115.11 3i19 n THR 172 Ca -0.02 0.45 0.11 0.00 -2.27 0.00 0.00 64.05 62.32 3i19 n THR 172 Cb 0.54 -1.40 0.32 0.00 -2.10 0.00 0.00 70.33 67.69 3i19 n THR 172 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3i19 n ASP 173 N -2.13 2.26 0.00 3.42 5.75 -1.26 -4.92 116.55 119.66 3i19 n ASP 173 Ca 0.01 -1.80 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 3i19 n ASP 173 Cb 0.13 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 3i19 n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i19 n GLY 174 N 1.25 0.42 0.00 6.12 0.00 -0.22 -5.07 105.19 107.69 3i19 n GLY 174 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3i19 n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i19 n SER 175 N 0.00 -0.06 -3.92 1.61 2.88 -1.25 -4.78 113.62 108.09 3i19 n SER 175 Ca 0.00 -0.94 -0.14 0.00 -1.33 0.00 0.00 58.87 56.46 3i19 n SER 175 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 3i19 n SER 175 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3i19 s VAL 176 N -0.97 0.22 -0.33 2.46 0.11 -1.26 -0.81 120.40 119.81 3i19 s VAL 176 Ca 0.00 -0.18 -0.06 0.00 -2.93 0.00 0.00 61.98 58.81 3i19 s VAL 176 Cb 0.00 -0.20 0.04 0.00 -1.53 0.00 0.00 36.38 34.68 3i19 s VAL 176 CO 0.00 0.02 0.08 -1.58 -3.33 0.00 0.00 175.10 170.30 3i19 s GLN 177 N -0.17 2.67 0.16 1.54 2.00 0.14 -4.89 119.66 121.12 3i19 s GLN 177 Ca 0.00 -1.14 -0.30 0.00 -2.00 0.00 0.00 55.36 51.92 3i19 s GLN 177 Cb -0.02 -3.40 -0.08 0.00 0.80 0.00 0.00 33.01 30.32 3i19 s GLN 177 CO -0.00 -0.62 1.18 -1.17 -0.50 0.00 0.00 175.29 174.18 3i19 s LEU 178 N 1.40 4.44 -0.33 3.68 2.96 -1.26 -1.02 118.68 128.55 3i19 s LEU 178 Ca -0.01 2.18 0.03 0.00 -0.22 0.00 0.00 54.13 56.10 3i19 s LEU 178 Cb -0.19 -3.60 0.10 0.00 0.50 0.00 0.00 46.19 42.99 3i19 s LEU 178 CO 0.02 -0.36 0.05 0.00 -1.32 0.00 0.00 176.35 174.74 3i19 s ALA 179 N 0.09 2.60 -0.37 5.97 0.00 0.60 -1.64 121.76 129.01 3i19 s ALA 179 Ca 0.53 -2.32 -0.24 0.00 0.00 0.00 0.00 51.96 49.93 3i19 s ALA 179 Cb -0.32 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 20.94 3i19 s ALA 179 CO 0.35 -1.66 0.84 0.34 0.00 0.00 0.00 175.76 175.63 3i19 s ASP 180 N 1.06 6.58 -0.19 0.00 2.15 -0.01 -1.38 116.67 124.88 3i19 s ASP 180 Ca 0.10 0.39 -0.10 0.00 0.43 0.00 0.00 52.55 53.37 3i19 s ASP 180 Cb -0.19 -2.42 -0.05 0.00 -0.30 0.00 0.00 42.92 39.96 3i19 s ASP 180 CO -0.11 -0.80 0.15 -1.00 -0.17 0.00 0.00 175.17 173.25 3i19 s HIS 181 N 3.26 3.43 -0.07 -5.34 3.76 0.32 -0.95 115.29 119.70 3i19 s HIS 181 Ca 0.34 0.38 0.04 0.00 -0.15 0.00 0.00 55.06 55.67 3i19 s HIS 181 Cb -0.13 -2.17 0.00 0.00 1.11 0.00 0.00 32.58 31.40 3i19 s HIS 181 CO 0.18 0.31 -0.19 0.71 -0.85 0.00 0.00 174.74 174.90 3i19 s TYR 182 N 0.28 2.05 0.01 1.40 1.51 -0.33 -2.29 117.35 119.97 3i19 s TYR 182 Ca 0.10 -0.74 0.02 0.00 -1.01 0.00 0.00 57.07 55.44 3i19 s TYR 182 Cb -0.11 -1.39 -0.01 0.00 -0.11 0.00 0.00 41.96 40.33 3i19 s TYR 182 CO -0.01 -0.29 -0.05 -1.14 -1.11 0.00 0.00 175.55 172.94 3i19 s GLN 183 N 0.29 0.41 -0.01 -0.62 0.74 0.06 -1.47 119.66 119.06 3i19 s GLN 183 Ca -0.12 -0.35 0.02 0.00 0.05 0.00 0.00 55.36 54.96 3i19 s GLN 183 Cb -0.15 -0.32 0.00 0.00 1.10 0.00 0.00 33.01 33.64 3i19 s GLN 183 CO 0.05 0.08 -0.06 -1.14 -0.55 0.00 0.00 175.29 173.67 3i19 s GLN 184 N -0.58 0.59 -0.06 1.67 2.00 -0.01 -1.05 119.66 122.23 3i19 s GLN 184 Ca -0.02 -0.20 0.03 0.00 -2.00 0.00 0.00 55.36 53.17 3i19 s GLN 184 Cb -0.04 -0.58 0.01 0.00 0.80 0.00 0.00 33.01 33.19 3i19 s GLN 184 CO -0.00 0.09 -0.13 -0.80 -0.50 0.00 0.00 175.29 173.95 3i19 s ASN 185 N 0.11 1.78 0.02 6.67 -0.87 -0.33 -0.87 114.94 121.44 3i19 s ASN 185 Ca -0.01 -0.29 0.02 0.00 -1.57 0.00 0.00 52.86 51.00 3i19 s ASN 185 Cb -0.05 -0.71 -0.01 0.00 -0.02 0.00 0.00 41.25 40.45 3i19 s ASN 185 CO -0.00 0.06 -0.06 0.42 -2.57 0.00 0.00 177.10 174.95 3i19 s THR 186 N 0.47 0.47 0.51 1.60 -4.23 -0.67 -1.60 115.64 112.20 3i19 s THR 186 Ca -0.11 -0.61 -0.22 0.00 -1.18 0.00 0.00 61.69 59.57 3i19 s THR 186 Cb -0.14 -0.47 -0.06 0.00 1.34 0.00 0.00 72.50 73.17 3i19 s THR 186 CO 0.03 -0.11 1.27 -2.16 -0.54 0.00 0.00 174.62 173.11 3i19 s PRO 187 N -0.78 3.38 -0.00 3.99 0.04 -1.26 -0.35 135.00 140.02 3i19 s PRO 187 Ca -0.03 2.01 -0.15 0.00 0.04 0.00 0.00 61.00 62.87 3i19 s PRO 187 Cb -0.06 -2.29 -0.34 0.00 0.04 0.00 0.00 34.50 31.85 3i19 s PRO 187 CO 0.00 -0.93 0.88 0.82 0.04 0.00 0.00 177.00 177.82 3i19 h ILE 188 N 1.58 1.20 -4.37 0.56 2.04 -1.63 -3.44 117.51 113.45 3i19 h ILE 188 Ca -0.50 -2.62 -0.36 0.00 1.00 0.00 0.00 64.86 62.37 3i19 h ILE 188 Cb 1.28 2.97 0.10 0.00 -0.74 0.00 0.00 36.82 40.43 3i19 h ILE 188 CO 0.58 0.81 0.20 0.61 0.00 0.00 0.00 178.15 180.36 3i19 n GLY 189 N 1.76 -0.27 1.13 5.37 0.00 -1.26 -5.01 105.19 106.90 3i19 n GLY 189 Ca -0.19 -1.88 0.09 0.00 0.00 0.00 0.00 46.02 44.05 3i19 n GLY 189 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i19 n ASP 190 N -3.27 3.73 -4.12 1.61 2.03 -1.26 -5.01 116.55 110.27 3i19 n ASP 190 Ca 0.13 -2.10 -0.30 0.00 0.52 0.00 0.00 54.79 53.04 3i19 n ASP 190 Cb 0.47 -0.42 0.20 0.00 -0.72 0.00 0.00 41.12 40.65 3i19 n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3i19 s GLY 191 N -1.02 1.66 0.51 0.27 0.00 -1.26 -5.02 107.32 102.46 3i19 s GLY 191 Ca 0.41 -0.98 -0.21 0.00 0.00 0.00 0.00 44.72 43.93 3i19 s GLY 191 CO 0.25 -0.20 1.17 2.56 0.00 0.00 0.00 173.10 176.88 3i19 s PRO 192 N -5.59 3.50 0.11 2.90 0.04 -1.26 -5.05 135.00 129.65 3i19 s PRO 192 Ca 0.71 1.75 0.04 0.00 0.04 0.00 0.00 61.00 63.54 3i19 s PRO 192 Cb -0.08 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 3i19 s PRO 192 CO 0.54 -0.76 -0.11 0.14 0.04 0.00 0.00 177.00 176.86 3i19 s VAL 193 N -1.62 1.07 -0.18 -0.36 -7.23 -1.26 -4.69 120.40 106.13 3i19 s VAL 193 Ca 0.69 -1.72 -0.19 0.00 -1.81 0.00 0.00 61.98 58.94 3i19 s VAL 193 Cb -0.28 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 3i19 s VAL 193 CO 0.32 -0.55 0.56 -0.63 -0.31 0.00 0.00 175.10 174.49 3i19 s ILE 194 N -2.50 5.08 -0.35 -0.62 1.01 -1.26 -5.05 121.20 117.51 3i19 s ILE 194 Ca 0.08 1.05 -0.11 0.00 0.00 0.00 0.00 60.65 61.67 3i19 s ILE 194 Cb -0.03 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.58 3i19 s ILE 194 CO 0.01 0.17 0.20 -0.76 0.00 0.00 0.00 174.94 174.56 3i19 s LEU 195 N 1.59 4.55 0.54 2.97 1.43 -1.26 -4.28 118.68 124.21 3i19 s LEU 195 Ca 0.26 -0.79 -0.13 0.00 -1.03 0.00 0.00 54.13 52.45 3i19 s LEU 195 Cb -0.16 -2.04 -0.06 0.00 0.03 0.00 0.00 46.19 43.97 3i19 s LEU 195 CO 0.10 -0.32 0.97 -2.16 0.23 0.00 0.00 176.35 175.17 3i19 s PRO 196 N 1.60 3.76 0.81 1.29 0.04 -1.26 -4.97 135.00 136.26 3i19 s PRO 196 Ca 0.03 0.76 -0.11 0.00 0.04 0.00 0.00 61.00 61.72 3i19 s PRO 196 Cb -0.18 -2.16 0.08 0.00 0.04 0.00 0.00 34.50 32.27 3i19 s PRO 196 CO 0.07 -0.36 1.09 -0.51 0.04 0.00 0.00 177.00 177.33 3i19 s ASP 197 N -3.62 4.29 0.23 6.66 1.01 -1.26 -3.84 116.67 120.14 3i19 s ASP 197 Ca 0.56 1.57 -0.32 0.00 0.71 0.00 0.00 52.55 55.07 3i19 s ASP 197 Cb -0.10 -2.30 -0.13 0.00 1.01 0.00 0.00 42.92 41.40 3i19 s ASP 197 CO 0.42 -2.13 1.50 0.59 0.21 0.00 0.00 175.17 175.75 3i19 n ASN 198 N -3.56 3.12 -1.79 0.27 3.02 -1.26 -4.82 115.26 110.22 3i19 n ASN 198 Ca 0.08 1.12 -0.03 0.00 -0.03 0.00 0.00 54.58 55.72 3i19 n ASN 198 Cb 0.54 -1.47 0.01 0.00 -0.61 0.00 0.00 39.78 38.26 3i19 n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i19 n HIS 199 N 2.41 -1.39 -4.03 3.10 1.44 -1.04 -4.76 115.22 110.95 3i19 n HIS 199 Ca 0.12 -0.71 -0.08 0.00 -2.01 0.00 0.00 57.72 55.05 3i19 n HIS 199 Cb 0.32 0.35 -0.09 0.00 0.12 0.00 0.00 29.99 30.69 3i19 n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3i19 s TYR 200 N -5.70 0.48 -0.31 -1.40 1.13 -0.55 -0.65 117.35 110.36 3i19 s TYR 200 Ca 0.07 -0.95 -0.06 0.00 -1.41 0.00 0.00 57.07 54.72 3i19 s TYR 200 Cb -0.02 -0.29 0.02 0.00 -1.10 0.00 0.00 41.96 40.57 3i19 s TYR 200 CO 0.04 -0.48 0.08 -0.51 -2.51 0.00 0.00 175.55 172.17 3i19 s LEU 201 N -2.93 3.98 -0.33 -3.49 1.43 0.10 -0.77 118.68 116.66 3i19 s LEU 201 Ca 0.11 -0.88 -0.29 0.00 -1.03 0.00 0.00 54.13 52.04 3i19 s LEU 201 Cb 0.07 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.43 3i19 s LEU 201 CO -0.07 -0.24 1.23 -0.55 0.23 0.00 0.00 176.35 176.96 3i19 s SER 202 N 1.45 6.71 -0.07 2.29 0.15 0.53 -0.84 113.70 123.93 3i19 s SER 202 Ca 0.01 1.05 0.04 0.00 0.70 0.00 0.00 55.95 57.75 3i19 s SER 202 Cb -0.18 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 3i19 s SER 202 CO 0.02 -1.08 -0.19 -0.89 1.20 0.00 0.00 173.24 172.31 3i19 s THR 203 N 4.28 1.61 -0.06 6.45 2.01 -0.65 -1.38 115.64 127.90 3i19 s THR 203 Ca 0.53 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.75 3i19 s THR 203 Cb -0.14 -1.40 0.02 0.00 0.01 0.00 0.00 72.50 70.99 3i19 s THR 203 CO 0.23 0.46 -0.06 0.00 -0.69 0.00 0.00 174.62 174.56 3i19 s GLN 204 N 0.27 1.13 -0.13 4.92 -2.07 -0.26 -1.83 119.66 121.69 3i19 s GLN 204 Ca -0.11 -0.18 0.02 0.00 -1.82 0.00 0.00 55.36 53.27 3i19 s GLN 204 Cb -0.15 -1.12 0.01 0.00 -1.09 0.00 0.00 33.01 30.66 3i19 s GLN 204 CO 0.05 -0.11 -0.21 -1.12 -1.32 0.00 0.00 175.29 172.58 3i19 s SER 205 N 1.11 3.01 -0.22 12.60 0.01 0.10 -1.05 113.70 129.26 3i19 s SER 205 Ca -0.07 -0.58 -0.06 0.00 1.31 0.00 0.00 55.95 56.55 3i19 s SER 205 Cb -0.14 -1.39 -0.03 0.00 0.21 0.00 0.00 66.02 64.67 3i19 s SER 205 CO -0.01 0.08 0.04 0.00 0.41 0.00 0.00 173.24 173.76 3i19 s ALA 206 N 0.81 3.15 -0.14 1.44 0.00 0.37 -1.38 121.76 126.00 3i19 s ALA 206 Ca -0.08 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 50.81 3i19 s ALA 206 Cb -0.16 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 3i19 s ALA 206 CO -0.01 -0.23 0.08 -0.51 0.00 0.00 0.00 175.76 175.09 3i19 s LEU 207 N 1.15 4.00 0.00 0.00 1.02 -0.11 -1.68 118.68 123.06 3i19 s LEU 207 Ca 0.04 0.24 -0.01 0.00 0.02 0.00 0.00 54.13 54.42 3i19 s LEU 207 Cb -0.14 -1.98 0.00 0.00 0.02 0.00 0.00 46.19 44.09 3i19 s LEU 207 CO 0.03 0.29 0.37 -1.54 0.02 0.00 0.00 176.35 175.52 3i19 n SER 208 N 2.75 -1.04 -4.30 2.29 3.41 -0.07 -4.69 113.62 111.98 3i19 n SER 208 Ca -0.18 -2.55 -0.24 0.00 -0.26 0.00 0.00 58.87 55.64 3i19 n SER 208 Cb 0.53 1.97 -0.13 0.00 -0.26 0.00 0.00 64.21 66.33 3i19 n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3i19 s LYS 209 N -2.69 1.16 -0.37 4.33 -0.14 -1.26 -1.46 119.74 119.31 3i19 s LYS 209 Ca 0.24 -1.19 -0.19 0.00 -1.36 0.00 0.00 55.97 53.47 3i19 s LYS 209 Cb -0.01 -1.45 0.00 0.00 -1.68 0.00 0.00 37.83 34.70 3i19 s LYS 209 CO 0.17 0.34 0.55 0.34 -0.76 0.00 0.00 175.35 175.99 3i19 s ASP 210 N -1.95 6.33 0.66 2.83 -1.08 -1.26 -4.95 116.67 117.24 3i19 s ASP 210 Ca 0.08 -0.09 0.44 0.00 -0.52 0.00 0.00 52.55 52.45 3i19 s ASP 210 Cb -0.10 -2.28 2.36 0.00 -1.46 0.00 0.00 42.92 41.44 3i19 s ASP 210 CO 0.05 -0.55 2.34 1.55 0.52 0.00 0.00 175.17 179.08 3i19 h PRO 211 N 8.54 0.00 -0.24 4.34 0.13 -2.03 -1.18 132.00 141.56 3i19 h PRO 211 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3i19 h PRO 211 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3i19 h PRO 211 CO 0.80 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.66 3i19 n ASN 212 N -3.07 3.03 -4.65 1.44 3.02 -1.26 -4.92 115.26 108.85 3i19 n ASN 212 Ca -0.03 -1.94 -0.38 0.00 -0.03 0.00 0.00 54.58 52.21 3i19 n ASN 212 Cb 0.08 -0.15 -0.09 0.00 -0.61 0.00 0.00 39.78 39.02 3i19 n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3i19 s GLU 213 N -1.71 4.10 0.00 3.52 2.56 -0.45 -4.96 118.70 121.77 3i19 s GLU 213 Ca 0.35 -0.03 0.22 0.00 0.00 0.00 0.00 54.97 55.51 3i19 s GLU 213 Cb 0.21 -3.56 -0.03 0.00 2.00 0.00 0.00 34.13 32.75 3i19 s GLU 213 CO 0.31 -0.04 1.02 1.63 -0.56 0.00 0.00 175.26 177.62 3i19 n LYS 214 N 4.55 0.06 -2.71 4.30 4.76 -1.26 -4.92 118.16 122.93 3i19 n LYS 214 Ca -0.11 -0.01 -0.28 0.00 -2.87 0.00 0.00 58.31 55.04 3i19 n LYS 214 Cb 0.51 -1.51 -0.01 0.00 -1.84 0.00 0.00 35.03 32.19 3i19 n LYS 214 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3i19 s ARG 215 N -3.04 3.58 0.05 1.97 0.52 -1.26 -5.03 118.95 115.74 3i19 s ARG 215 Ca 0.08 0.22 -0.31 0.00 -0.52 0.00 0.00 55.73 55.20 3i19 s ARG 215 Cb 0.16 -2.39 -0.07 0.00 0.52 0.00 0.00 34.95 33.17 3i19 s ARG 215 CO 0.82 -0.15 1.46 0.34 0.02 0.00 0.00 175.30 177.79 3i19 s ASP 216 N -3.92 6.78 0.28 0.23 -1.08 -1.26 -4.95 116.67 112.75 3i19 s ASP 216 Ca 0.48 2.26 -0.18 0.00 -0.52 0.00 0.00 52.55 54.59 3i19 s ASP 216 Cb -0.10 -2.57 0.02 0.00 -1.46 0.00 0.00 42.92 38.80 3i19 s ASP 216 CO 0.42 -0.75 0.65 -1.38 0.52 0.00 0.00 175.17 174.63 3i19 s HIS 217 N 2.14 0.03 -0.10 -5.34 -3.43 -1.26 -0.97 115.29 106.36 3i19 s HIS 217 Ca 0.66 -0.47 -0.04 0.00 -0.80 0.00 0.00 55.06 54.41 3i19 s HIS 217 Cb -0.35 0.55 0.05 0.00 -1.43 0.00 0.00 32.58 31.40 3i19 s HIS 217 CO 0.29 -1.19 0.21 1.41 -2.00 0.00 0.00 174.74 173.46 3i19 s MET 218 N -3.80 0.14 -0.14 -0.38 1.75 -0.29 -4.97 119.30 111.61 3i19 s MET 218 Ca 0.15 0.54 -0.11 0.00 -1.25 0.00 0.00 55.69 55.03 3i19 s MET 218 Cb -0.04 -0.14 -0.05 0.00 2.84 0.00 0.00 34.83 37.44 3i19 s MET 218 CO 0.08 -0.21 0.21 0.08 -0.65 0.00 0.00 175.02 174.53 3i19 s VAL 219 N 1.65 5.36 -0.06 10.11 1.01 -0.53 -0.50 120.40 137.43 3i19 s VAL 219 Ca -0.05 0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.33 3i19 s VAL 219 Cb -0.11 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.76 3i19 s VAL 219 CO -0.07 0.50 -0.10 -0.22 0.00 0.00 0.00 175.10 175.20 3i19 s LEU 220 N -0.21 1.53 -0.19 3.92 2.96 0.43 -0.89 118.68 126.23 3i19 s LEU 220 Ca 0.15 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.80 3i19 s LEU 220 Cb -0.13 -0.72 0.00 0.00 0.50 0.00 0.00 46.19 45.85 3i19 s LEU 220 CO 0.03 -0.00 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.71 3i19 s LEU 221 N 0.81 2.48 -0.00 -0.68 2.96 -0.68 -1.35 118.68 122.21 3i19 s LEU 221 Ca -0.12 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.30 3i19 s LEU 221 Cb -0.15 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 3i19 s LEU 221 CO 0.02 0.02 -0.08 -0.70 -1.32 0.00 0.00 176.35 174.29 3i19 s GLU 222 N 1.21 0.64 -0.05 1.98 2.12 -0.14 -0.48 118.70 123.99 3i19 s GLU 222 Ca 0.02 -0.30 0.04 0.00 0.36 0.00 0.00 54.97 55.10 3i19 s GLU 222 Cb -0.14 -0.62 -0.00 0.00 0.26 0.00 0.00 34.13 33.63 3i19 s GLU 222 CO -0.06 0.17 -0.18 -0.06 -0.54 0.00 0.00 175.26 174.59 3i19 s PHE 223 N -0.21 1.82 -0.07 5.30 0.08 -0.21 -0.65 117.98 124.04 3i19 s PHE 223 Ca 0.03 -0.55 -0.01 0.00 0.12 0.00 0.00 56.93 56.52 3i19 s PHE 223 Cb -0.03 -1.23 0.03 0.00 -0.57 0.00 0.00 43.02 41.22 3i19 s PHE 223 CO -0.00 -0.19 -0.00 0.08 -0.10 0.00 0.00 175.22 175.00 3i19 s VAL 224 N 0.08 0.39 -0.07 -0.44 1.01 0.12 -1.10 120.40 120.39 3i19 s VAL 224 Ca -0.06 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.04 3i19 s VAL 224 Cb -0.12 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.74 3i19 s VAL 224 CO 0.03 0.25 -0.10 -0.89 0.00 0.00 0.00 175.10 174.39 3i19 s THR 225 N 1.85 1.04 0.36 3.92 2.01 -0.48 -0.90 115.64 123.44 3i19 s THR 225 Ca 0.03 -0.40 -0.26 0.00 0.31 0.00 0.00 61.69 61.38 3i19 s THR 225 Cb -0.12 -0.98 -0.09 0.00 0.01 0.00 0.00 72.50 71.32 3i19 s THR 225 CO -0.05 0.34 1.07 0.00 -0.69 0.00 0.00 174.62 175.30 3i19 s ALA 226 N 0.89 3.18 0.34 7.40 0.00 0.10 -0.34 121.76 133.33 3i19 s ALA 226 Ca -0.11 0.78 -0.14 0.00 0.00 0.00 0.00 51.96 52.50 3i19 s ALA 226 Cb -0.15 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.70 3i19 s ALA 226 CO 0.01 -0.22 0.67 0.00 0.00 0.00 0.00 175.76 176.22 3i19 s ALA 227 N -1.49 -0.45 0.00 0.00 0.00 0.05 -4.52 121.76 115.36 3i19 s ALA 227 Ca 0.54 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.65 3i19 s ALA 227 Cb -0.26 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.72 3i19 s ALA 227 CO 0.32 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.55 3i19 n GLY 228 N -0.51 0.61 3.05 0.00 0.00 -1.26 -1.48 105.19 105.60 3i19 n GLY 228 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 3i19 n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i19 s ILE 229 N -2.00 1.38 -2.29 -0.61 1.01 -1.26 -4.86 121.20 112.57 3i19 s ILE 229 Ca 0.00 -0.59 0.30 0.00 0.00 0.00 0.00 60.65 60.36 3i19 s ILE 229 Cb 0.00 -1.26 0.70 0.00 0.01 0.00 0.00 42.46 41.91 3i19 s ILE 229 CO 0.00 0.41 1.95 0.35 0.00 0.00 0.00 174.94 177.66