#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h77 s GLY -7 N 0.00 -1.60 0.00 -0.13 0.00 -1.26 -5.12 107.32 99.22 3h77 s GLY -7 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.53 3h77 s GLY -7 CO 0.00 4.18 0.00 1.44 0.00 0.00 0.00 173.10 178.72 3h77 n SER -6 N 3.41 0.00 -4.77 1.64 7.64 -1.26 -5.07 113.62 115.21 3h77 n SER -6 Ca 0.09 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.58 3h77 n SER -6 Cb 0.62 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.81 3h77 n SER -6 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3h77 s GLU -5 N -5.04 4.00 0.09 1.43 2.02 -1.26 -4.94 118.70 114.99 3h77 s GLU -5 Ca 0.00 1.96 -0.31 0.00 0.02 0.00 0.00 54.97 56.64 3h77 s GLU -5 Cb 0.00 -2.69 -0.07 0.00 0.10 0.00 0.00 34.13 31.47 3h77 s GLU -5 CO 0.00 -0.40 1.32 -0.80 0.02 0.00 0.00 175.26 175.40 3h77 s ASN -4 N -0.99 6.92 -0.73 -0.19 0.01 -1.26 -4.99 114.94 113.70 3h77 s ASN -4 Ca 0.57 2.19 -0.08 0.00 -0.71 0.00 0.00 52.86 54.84 3h77 s ASN -4 Cb -0.33 -2.58 0.19 0.00 0.41 0.00 0.00 41.25 38.94 3h77 s ASN -4 CO 0.42 -0.59 0.60 -0.76 -1.51 0.00 0.00 177.10 175.27 3h77 s LEU -3 N 1.19 5.96 0.29 0.60 1.43 -1.26 -5.05 118.68 121.83 3h77 s LEU -3 Ca 0.62 -2.81 0.01 0.00 -1.03 0.00 0.00 54.13 50.92 3h77 s LEU -3 Cb -0.34 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 43.84 3h77 s LEU -3 CO 0.29 -0.46 0.30 -0.72 0.23 0.00 0.00 176.35 176.00 3h77 s TYR -2 N -0.01 1.30 -1.68 0.29 -0.00 -1.26 -4.89 117.35 111.09 3h77 s TYR -2 Ca 0.18 -1.41 -0.18 0.00 -0.00 0.00 0.00 57.07 55.65 3h77 s TYR -2 Cb -0.15 -0.44 0.15 0.00 -0.00 0.00 0.00 41.96 41.51 3h77 s TYR -2 CO -0.06 -0.88 0.82 1.19 -0.00 0.00 0.00 175.55 176.62 3h77 n PHE -1 N -0.49 -1.83 -2.37 -3.49 3.72 -1.26 -4.90 117.46 106.84 3h77 n PHE -1 Ca 0.04 0.82 -0.40 0.00 -0.05 0.00 0.00 57.45 57.85 3h77 n PHE -1 Cb 0.63 -3.10 -0.04 0.00 -0.94 0.00 0.00 39.48 36.04 3h77 n PHE -1 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3h77 s GLN 0 N -6.89 4.56 0.83 -1.08 -1.52 -1.26 -4.98 119.66 109.31 3h77 s GLN 0 Ca 0.73 1.91 -0.12 0.00 -1.95 0.00 0.00 55.36 55.94 3h77 s GLN 0 Cb -0.40 -3.16 0.10 0.00 -0.22 0.00 0.00 33.01 29.33 3h77 s GLN 0 CO 0.91 0.08 1.19 0.20 -0.25 0.00 0.00 175.29 177.42 3h77 s GLY 1 N -0.68 1.64 0.24 3.09 0.00 -1.23 -4.65 107.32 105.74 3h77 s GLY 1 Ca 0.46 -0.82 -0.30 0.00 0.00 0.00 0.00 44.72 44.07 3h77 s GLY 1 CO 0.44 -0.28 1.14 -1.31 0.00 0.00 0.00 173.10 173.09 3h77 s ASN 2 N -4.64 7.19 0.74 1.64 0.01 -0.25 -4.44 114.94 115.19 3h77 s ASN 2 Ca 0.64 2.25 -0.16 0.00 -0.71 0.00 0.00 52.86 54.88 3h77 s ASN 2 Cb -0.09 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 38.92 3h77 s ASN 2 CO 0.49 -0.24 0.60 -2.65 -1.51 0.00 0.00 177.10 173.79 3h77 n PRO 3 N 1.74 0.29 -4.42 -0.60 -0.02 -1.26 -3.01 135.00 127.72 3h77 n PRO 3 Ca 0.01 0.14 -0.26 0.00 -2.02 0.00 0.00 63.50 61.38 3h77 n PRO 3 Cb 0.45 -1.90 -0.11 0.00 -0.02 0.00 0.00 33.50 31.92 3h77 n PRO 3 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3h77 s ILE 4 N -1.94 2.29 -0.72 4.25 -4.36 -0.40 -0.74 121.20 119.58 3h77 s ILE 4 Ca 0.66 -2.07 -0.23 0.00 -0.26 0.00 0.00 60.65 58.75 3h77 s ILE 4 Cb -0.34 -2.11 0.07 0.00 1.25 0.00 0.00 42.46 41.33 3h77 s ILE 4 CO 0.57 -0.19 1.06 -0.76 0.24 0.00 0.00 174.94 175.86 3h77 s LEU 5 N -2.79 4.24 0.30 0.37 1.43 -1.26 -1.39 118.68 119.57 3h77 s LEU 5 Ca 0.21 -1.07 0.16 0.00 -1.03 0.00 0.00 54.13 52.40 3h77 s LEU 5 Cb -0.07 -2.44 0.18 0.00 0.03 0.00 0.00 46.19 43.88 3h77 s LEU 5 CO 0.10 -1.46 1.50 0.00 0.23 0.00 0.00 176.35 176.72 3h77 h ALA 6 N 9.56 0.72 -1.87 4.21 0.00 -0.94 -3.46 119.26 127.48 3h77 h ALA 6 Ca -0.20 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 3h77 h ALA 6 Cb 1.06 -0.08 -0.21 0.00 0.00 0.00 0.00 17.79 18.56 3h77 h ALA 6 CO 1.20 0.61 0.27 0.20 0.00 0.00 0.00 179.25 181.53 3h77 s GLY 7 N -4.44 -0.46 0.08 0.00 0.00 -1.17 -3.59 107.32 97.74 3h77 s GLY 7 Ca 0.03 1.82 0.03 0.00 0.00 0.00 0.00 44.72 46.60 3h77 s GLY 7 CO 0.73 1.31 -0.08 1.08 0.00 0.00 0.00 173.10 176.14 3h77 s LEU 8 N -0.55 2.38 0.12 0.66 1.02 -1.26 -0.52 118.68 120.54 3h77 s LEU 8 Ca -0.04 -0.78 -0.22 0.00 0.02 0.00 0.00 54.13 53.10 3h77 s LEU 8 Cb -0.02 -0.20 0.06 0.00 0.02 0.00 0.00 46.19 46.05 3h77 s LEU 8 CO 0.04 -0.30 0.56 -0.83 0.02 0.00 0.00 176.35 175.85 3h77 s GLY 9 N -2.32 -0.54 0.10 -3.19 0.00 -0.21 -3.80 107.32 97.38 3h77 s GLY 9 Ca 0.02 0.48 -0.12 0.00 0.00 0.00 0.00 44.72 45.10 3h77 s GLY 9 CO -0.01 0.17 0.30 -0.11 0.00 0.00 0.00 173.10 173.44 3h77 s PHE 10 N -3.39 -0.03 -0.11 1.90 -0.12 -1.26 -0.61 117.98 114.36 3h77 s PHE 10 Ca -0.00 -0.34 -0.06 0.00 -0.05 0.00 0.00 56.93 56.48 3h77 s PHE 10 Cb -0.00 0.10 0.04 0.00 -0.63 0.00 0.00 43.02 42.53 3h77 s PHE 10 CO -0.10 -0.62 0.26 0.45 -0.05 0.00 0.00 175.22 175.17 3h77 s SER 11 N -2.80 -0.28 0.11 1.98 0.15 -0.18 -4.50 113.70 108.17 3h77 s SER 11 Ca 0.04 0.55 0.10 0.00 0.70 0.00 0.00 55.95 57.34 3h77 s SER 11 Cb 0.03 0.46 -0.04 0.00 -1.71 0.00 0.00 66.02 64.76 3h77 s SER 11 CO -0.11 -0.15 -0.26 -0.76 1.20 0.00 0.00 173.24 173.16 3h77 s LEU 12 N 1.06 2.28 0.92 3.45 1.43 -1.26 -1.36 118.68 125.19 3h77 s LEU 12 Ca -0.08 -0.70 -0.10 0.00 -1.03 0.00 0.00 54.13 52.22 3h77 s LEU 12 Cb -0.09 -1.17 0.15 0.00 0.03 0.00 0.00 46.19 45.11 3h77 s LEU 12 CO -0.07 0.17 1.15 -2.84 0.23 0.00 0.00 176.35 174.99 3h77 s PRO 13 N -1.86 0.99 0.13 1.29 0.02 -1.26 -4.96 135.00 129.35 3h77 s PRO 13 Ca 0.12 1.57 -0.12 0.00 0.02 0.00 0.00 61.00 62.59 3h77 s PRO 13 Cb -0.10 -1.72 -0.06 0.00 0.02 0.00 0.00 34.50 32.64 3h77 s PRO 13 CO 0.05 -2.66 1.45 0.87 -0.33 0.00 0.00 177.00 176.38 3h77 h LYS 14 N -1.88 0.87 -6.49 5.54 1.79 -1.97 -3.44 116.57 110.98 3h77 h LYS 14 Ca -0.43 -0.48 -0.57 0.00 -2.18 0.00 0.00 60.65 57.00 3h77 h LYS 14 Cb 1.27 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.88 3h77 h LYS 14 CO 0.41 1.12 0.94 0.50 -1.08 0.00 0.00 179.45 181.34 3h77 s ARG 15 N -4.34 3.84 0.06 3.15 3.52 -1.26 -4.98 118.95 118.94 3h77 s ARG 15 Ca -0.11 0.92 -0.29 0.00 -0.13 0.00 0.00 55.73 56.11 3h77 s ARG 15 Cb 0.10 -3.87 -0.05 0.00 -1.56 0.00 0.00 34.95 29.58 3h77 s ARG 15 CO 0.87 -1.22 0.94 -1.14 -0.81 0.00 0.00 175.30 173.95 3h77 s GLN 16 N 4.24 4.62 -0.20 5.12 0.74 -1.26 -1.55 119.66 131.37 3h77 s GLN 16 Ca 0.51 1.39 0.00 0.00 0.05 0.00 0.00 55.36 57.31 3h77 s GLN 16 Cb -0.12 -3.41 0.02 0.00 1.10 0.00 0.00 33.01 30.60 3h77 s GLN 16 CO 0.25 0.11 -0.15 0.08 -0.55 0.00 0.00 175.29 175.04 3h77 s VAL 17 N 0.40 2.37 0.59 1.34 1.01 0.16 -4.95 120.40 121.32 3h77 s VAL 17 Ca 0.48 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 3h77 s VAL 17 Cb -0.22 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 34.13 3h77 s VAL 17 CO 0.28 0.45 0.85 -0.94 0.00 0.00 0.00 175.10 175.74 3h77 s SER 18 N 1.31 5.27 0.27 3.32 1.04 -1.26 -1.42 113.70 122.23 3h77 s SER 18 Ca 0.04 0.28 -0.01 0.00 0.48 0.00 0.00 55.95 56.73 3h77 s SER 18 Cb -0.14 -1.16 0.46 0.00 0.10 0.00 0.00 66.02 65.28 3h77 s SER 18 CO -0.10 -1.20 1.87 0.78 0.98 0.00 0.00 173.24 175.57 3h77 h ASN 19 N -0.12 1.00 -0.15 7.02 2.35 -1.74 -2.27 115.58 121.69 3h77 h ASN 19 Ca -0.44 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.30 3h77 h ASN 19 Cb 1.29 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 3h77 h ASN 19 CO 0.57 0.61 0.00 0.45 -1.65 0.00 0.00 177.43 177.41 3h77 h HIS 20 N 1.12 0.38 0.00 1.19 3.86 -1.94 -1.67 115.15 118.10 3h77 h HIS 20 Ca 0.45 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.61 3h77 h HIS 20 Cb 0.27 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.62 3h77 h HIS 20 CO -0.00 0.38 -0.14 -0.44 0.86 0.00 0.00 177.93 178.60 3h77 h ASP 21 N 0.36 0.00 0.84 2.45 3.32 -1.78 -3.14 116.42 118.47 3h77 h ASP 21 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3h77 h ASP 21 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3h77 h ASP 21 CO 0.01 0.14 -1.10 0.18 -1.72 0.00 0.00 179.24 176.74 3h77 n LEU 22 N -4.17 0.73 0.28 1.55 4.32 -0.66 -4.51 117.00 114.55 3h77 n LEU 22 Ca -0.02 0.27 0.15 0.00 -0.02 0.00 0.00 56.01 56.38 3h77 n LEU 22 Cb 0.21 -0.06 0.83 0.00 -1.62 0.00 0.00 43.42 42.79 3h77 n LEU 22 CO 0.34 -0.15 1.04 0.58 -1.22 0.00 0.00 177.39 177.98 3h77 h VAL 23 N 0.00 0.42 0.03 4.08 2.07 -1.42 -0.07 116.25 121.36 3h77 h VAL 23 Ca 0.00 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 3h77 h VAL 23 Cb 0.97 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3h77 h VAL 23 CO 0.00 0.07 -0.02 1.23 0.02 0.00 0.00 177.57 178.87 3h77 h GLY 24 N 0.67 -0.04 2.00 2.17 0.00 -1.79 -3.36 103.07 102.72 3h77 h GLY 24 Ca -0.00 0.02 -0.11 0.00 0.00 0.00 0.00 47.33 47.23 3h77 h GLY 24 CO 0.01 -0.02 -0.54 3.21 0.00 0.00 0.00 176.54 179.20 3h77 h ARG 25 N -0.61 0.00 -6.38 4.80 3.08 -1.61 -3.43 114.38 110.24 3h77 h ARG 25 Ca -0.00 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.35 3h77 h ARG 25 Cb 0.56 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.35 3h77 h ARG 25 CO 0.01 0.54 -0.81 0.42 -1.07 0.00 0.00 179.97 179.06 3h77 s ILE 26 N -3.48 2.72 -1.12 2.04 1.01 -0.12 -4.81 121.20 117.43 3h77 s ILE 26 Ca -0.00 -0.85 -0.22 0.00 0.00 0.00 0.00 60.65 59.58 3h77 s ILE 26 Cb 0.11 -2.03 0.01 0.00 0.01 0.00 0.00 42.46 40.56 3h77 s ILE 26 CO 0.73 0.59 1.75 0.20 0.00 0.00 0.00 174.94 178.21 3h77 s ASN 27 N -0.65 6.01 0.13 3.58 0.01 -1.26 -4.51 114.94 118.25 3h77 s ASN 27 Ca 0.10 -1.67 -0.06 0.00 -0.71 0.00 0.00 52.86 50.52 3h77 s ASN 27 Cb -0.11 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.00 3h77 s ASN 27 CO 0.00 -2.00 0.31 1.07 -1.51 0.00 0.00 177.10 174.98 3h77 n THR 28 N 7.13 0.00 -4.06 1.60 5.66 -1.26 -5.04 114.28 118.32 3h77 n THR 28 Ca 0.42 -0.34 -0.08 0.00 -3.05 0.00 0.00 64.05 61.00 3h77 n THR 28 Cb 0.48 0.36 -0.10 0.00 -1.55 0.00 0.00 70.33 69.51 3h77 n THR 28 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3h77 s SER 29 N -1.80 0.42 0.24 1.09 1.04 -1.26 -4.84 113.70 108.59 3h77 s SER 29 Ca 0.06 -0.86 -0.05 0.00 0.48 0.00 0.00 55.95 55.59 3h77 s SER 29 Cb -0.02 0.17 0.37 0.00 0.10 0.00 0.00 66.02 66.65 3h77 s SER 29 CO 0.04 -0.52 1.83 -0.78 0.98 0.00 0.00 173.24 174.79 3h77 h ASP 30 N 3.55 0.75 -0.78 7.02 3.58 -1.98 -2.25 116.42 126.31 3h77 h ASP 30 Ca -0.33 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.15 3h77 h ASP 30 Cb 1.16 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 42.05 3h77 h ASP 30 CO 0.59 0.45 0.50 -0.33 -2.88 0.00 0.00 179.24 177.58 3h77 h GLU 31 N 0.87 1.04 -0.20 0.28 3.07 -1.99 -0.92 114.58 116.73 3h77 h GLU 31 Ca 0.39 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 59.15 3h77 h GLU 31 Cb 0.28 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 3h77 h GLU 31 CO -0.21 0.70 0.03 0.35 -1.40 0.00 0.00 179.01 178.48 3h77 h PHE 32 N 1.06 0.35 -0.11 4.33 3.57 -1.90 -1.58 116.94 122.65 3h77 h PHE 32 Ca 0.28 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 3h77 h PHE 32 Cb -0.10 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 3h77 h PHE 32 CO -0.01 0.47 0.04 0.82 -2.23 0.00 0.00 178.31 177.40 3h77 h ILE 33 N 0.12 1.17 -0.21 1.41 2.04 -1.09 0.71 117.51 121.65 3h77 h ILE 33 Ca 0.06 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 3h77 h ILE 33 Cb 0.32 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3h77 h ILE 33 CO 0.00 0.15 0.04 0.58 0.00 0.00 0.00 178.15 178.92 3h77 h VAL 34 N -0.00 1.22 -0.32 1.67 2.07 -1.21 0.11 116.25 119.78 3h77 h VAL 34 Ca 0.04 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 3h77 h VAL 34 Cb 0.20 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3h77 h VAL 34 CO -0.00 0.23 0.14 -0.08 0.02 0.00 0.00 177.57 177.88 3h77 h GLU 35 N 0.15 0.48 0.00 1.57 4.57 -1.20 -0.64 114.58 119.51 3h77 h GLU 35 Ca 0.07 -0.08 -0.14 0.00 -1.18 0.00 0.00 59.36 58.02 3h77 h GLU 35 Cb 0.31 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 3h77 h GLU 35 CO 0.00 0.47 -1.02 0.00 -1.18 0.00 0.00 179.01 177.28 3h77 h ARG 36 N 0.38 0.00 0.00 1.92 2.47 -0.85 -3.42 114.38 114.88 3h77 h ARG 36 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 3h77 h ARG 36 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 3h77 h ARG 36 CO -0.01 0.42 -0.66 0.25 0.56 0.00 0.00 179.97 180.53 3h77 n THR 37 N -3.05 0.00 -0.73 2.04 -2.24 0.36 -4.70 114.28 105.96 3h77 n THR 37 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3h77 n THR 37 Cb 0.80 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 3h77 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h77 n GLY 38 N 1.74 1.36 3.73 3.38 0.00 -0.25 0.02 105.19 115.18 3h77 n GLY 38 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3h77 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h77 s VAL 39 N -3.53 3.94 -0.07 1.61 1.01 -1.26 -4.25 120.40 117.84 3h77 s VAL 39 Ca 0.00 1.56 -0.00 0.00 0.00 0.00 0.00 61.98 63.54 3h77 s VAL 39 Cb 0.00 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3h77 s VAL 39 CO 0.00 0.22 -0.07 0.54 0.00 0.00 0.00 175.10 175.79 3h77 n ARG 40 N 2.89 0.17 -4.13 2.72 1.74 0.69 -4.08 116.66 116.67 3h77 n ARG 40 Ca 0.05 0.05 -0.10 0.00 -0.77 0.00 0.00 57.85 57.08 3h77 n ARG 40 Cb 0.46 -1.06 -0.10 0.00 -1.02 0.00 0.00 32.46 30.74 3h77 n ARG 40 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3h77 s THR 41 N -2.14 0.53 0.29 0.55 -4.23 -0.72 -1.94 115.64 107.97 3h77 s THR 41 Ca -0.10 -1.81 0.02 0.00 -1.18 0.00 0.00 61.69 58.63 3h77 s THR 41 Cb 0.03 -1.52 -0.03 0.00 1.34 0.00 0.00 72.50 72.33 3h77 s THR 41 CO 0.16 -0.86 0.28 -0.13 -0.54 0.00 0.00 174.62 173.53 3h77 s ARG 42 N -3.62 1.62 -0.09 3.99 3.00 -0.51 -2.56 118.95 120.77 3h77 s ARG 42 Ca 0.08 -1.83 0.03 0.00 0.00 0.00 0.00 55.73 54.01 3h77 s ARG 42 Cb 0.04 0.34 -0.01 0.00 0.00 0.00 0.00 34.95 35.32 3h77 s ARG 42 CO -0.06 -0.60 -0.20 0.71 0.00 0.00 0.00 175.30 175.15 3h77 s TYR 43 N -3.60 2.61 -0.04 -0.53 2.02 -1.26 0.37 117.35 116.93 3h77 s TYR 43 Ca 0.38 -0.78 0.05 0.00 -0.37 0.00 0.00 57.07 56.35 3h77 s TYR 43 Cb 0.03 -1.71 -0.01 0.00 -0.40 0.00 0.00 41.96 39.87 3h77 s TYR 43 CO 0.21 -0.26 -0.20 -1.01 -1.57 0.00 0.00 175.55 172.72 3h77 s HIS 44 N 0.13 1.91 0.85 2.71 3.76 -0.59 -1.08 115.29 122.98 3h77 s HIS 44 Ca -0.10 -0.48 -0.11 0.00 -0.15 0.00 0.00 55.06 54.22 3h77 s HIS 44 Cb -0.16 -1.26 0.10 0.00 1.11 0.00 0.00 32.58 32.38 3h77 s HIS 44 CO 0.06 -0.12 1.10 0.14 -0.85 0.00 0.00 174.74 175.07 3h77 s VAL 45 N -0.21 2.84 0.52 -0.90 -7.23 -1.26 -4.04 120.40 110.12 3h77 s VAL 45 Ca 0.01 0.27 -0.18 0.00 -1.81 0.00 0.00 61.98 60.27 3h77 s VAL 45 Cb -0.11 -2.65 -0.07 0.00 0.56 0.00 0.00 36.38 34.11 3h77 s VAL 45 CO 0.01 -0.36 1.03 -1.61 -0.31 0.00 0.00 175.10 173.87 3h77 s GLU 46 N -4.84 3.69 0.57 4.82 0.41 -1.26 -4.96 118.70 117.12 3h77 s GLU 46 Ca 0.63 1.24 0.26 0.00 -0.41 0.00 0.00 54.97 56.70 3h77 s GLU 46 Cb -0.19 -2.09 1.53 0.00 -1.78 0.00 0.00 34.13 31.60 3h77 s GLU 46 CO 0.57 -0.51 2.06 -1.35 -0.49 0.00 0.00 175.26 175.54 3h77 h PRO 47 N 1.14 0.00 0.00 0.39 0.11 -2.04 -0.77 132.00 130.83 3h77 h PRO 47 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3h77 h PRO 47 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3h77 h PRO 47 CO 0.59 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.77 3h77 n GLU 48 N -4.03 0.21 -3.74 1.05 4.71 -1.26 -4.84 120.64 112.73 3h77 n GLU 48 Ca 0.04 0.35 -0.37 0.00 -0.01 0.00 0.00 57.16 57.17 3h77 n GLU 48 Cb 0.41 -1.84 -0.06 0.00 -1.01 0.00 0.00 31.44 28.94 3h77 n GLU 48 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3h77 s GLN 49 N -3.24 3.61 0.48 3.49 -0.21 -0.30 -5.10 119.66 118.39 3h77 s GLN 49 Ca 0.06 0.04 0.07 0.00 0.02 0.00 0.00 55.36 55.56 3h77 s GLN 49 Cb 0.10 -3.18 0.01 0.00 1.00 0.00 0.00 33.01 30.95 3h77 s GLN 49 CO 0.45 0.73 0.43 0.00 -2.12 0.00 0.00 175.29 174.78 3h77 s ALA 50 N -1.09 4.26 0.46 6.09 0.00 -1.26 -4.85 121.76 125.37 3h77 s ALA 50 Ca 0.20 -1.69 0.20 0.00 0.00 0.00 0.00 51.96 50.66 3h77 s ALA 50 Cb -0.14 -0.94 1.22 0.00 0.00 0.00 0.00 23.12 23.27 3h77 s ALA 50 CO 0.09 -0.38 2.05 -0.24 0.00 0.00 0.00 175.76 177.27 3h77 h VAL 51 N 0.84 0.91 -0.65 0.00 3.04 -1.91 -1.14 116.25 117.34 3h77 h VAL 51 Ca -0.38 -0.51 0.18 0.00 -1.01 0.00 0.00 66.70 64.97 3h77 h VAL 51 Cb 1.28 1.29 -0.03 0.00 -2.01 0.00 0.00 31.29 31.82 3h77 h VAL 51 CO 0.56 0.14 0.46 0.77 -1.01 0.00 0.00 177.57 178.49 3h77 h SER 52 N 0.00 0.08 0.46 3.17 4.64 -1.95 -0.89 113.55 119.06 3h77 h SER 52 Ca -0.00 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 3h77 h SER 52 Cb 0.28 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3h77 h SER 52 CO 0.02 0.04 -0.08 0.00 -0.87 0.00 0.00 176.83 175.93 3h77 h ALA 53 N 1.68 1.16 0.07 5.18 0.00 -1.59 -1.84 119.26 123.92 3h77 h ALA 53 Ca 0.31 -0.07 -0.37 0.00 0.00 0.00 0.00 54.91 54.78 3h77 h ALA 53 Cb 1.14 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3h77 h ALA 53 CO -0.03 0.10 -2.11 1.28 0.00 0.00 0.00 179.25 178.50 3h77 n LEU 54 N -3.42 2.62 -0.24 0.00 4.32 -0.50 -4.40 117.00 115.37 3h77 n LEU 54 Ca -0.01 0.13 -0.06 0.00 -0.02 0.00 0.00 56.01 56.05 3h77 n LEU 54 Cb 0.23 -1.02 0.05 0.00 -1.62 0.00 0.00 43.42 41.06 3h77 n LEU 54 CO 0.28 0.81 1.11 0.24 -1.22 0.00 0.00 177.39 178.60 3h77 h MET 55 N -0.13 0.93 0.65 3.23 2.86 -1.00 -2.77 114.93 118.70 3h77 h MET 55 Ca -0.48 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.03 3h77 h MET 55 Cb 1.89 -0.19 0.01 0.00 0.06 0.00 0.00 31.60 33.37 3h77 h MET 55 CO -0.03 0.68 -0.31 0.28 1.06 0.00 0.00 176.91 178.59 3h77 h VAL 56 N 0.92 0.34 -0.92 -2.22 2.07 -1.56 0.60 116.25 115.48 3h77 h VAL 56 Ca 0.24 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.72 3h77 h VAL 56 Cb 0.00 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.09 3h77 h VAL 56 CO -0.04 0.01 0.60 1.55 0.02 0.00 0.00 177.57 179.71 3h77 h PRO 57 N -0.94 1.05 -0.18 1.57 0.13 -1.77 0.78 132.00 132.65 3h77 h PRO 57 Ca -0.09 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.97 3h77 h PRO 57 Cb 0.69 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 3h77 h PRO 57 CO 0.15 0.69 0.08 0.00 -0.23 0.00 0.00 178.00 178.69 3h77 h ALA 58 N 1.49 0.23 -0.40 -0.56 0.00 -1.29 -0.67 119.26 118.05 3h77 h ALA 58 Ca 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3h77 h ALA 58 Cb 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3h77 h ALA 58 CO -0.14 -0.20 0.21 0.00 0.00 0.00 0.00 179.25 179.12 3h77 h ALA 59 N 0.94 0.52 -0.71 0.00 0.00 -0.57 -2.16 119.26 117.29 3h77 h ALA 59 Ca 0.06 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.96 3h77 h ALA 59 Cb 0.13 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 3h77 h ALA 59 CO -0.01 0.06 0.37 0.00 0.00 0.00 0.00 179.25 179.67 3h77 h ARG 60 N 0.52 0.62 -0.65 0.00 3.08 -0.68 -0.13 114.38 117.14 3h77 h ARG 60 Ca 0.14 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 3h77 h ARG 60 Cb 0.08 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 3h77 h ARG 60 CO -0.02 0.41 0.30 0.37 -1.07 0.00 0.00 179.97 179.97 3h77 h GLN 61 N 0.64 0.94 -0.41 0.04 4.15 -0.96 -0.74 115.11 118.78 3h77 h GLN 61 Ca 0.34 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.58 3h77 h GLN 61 Cb 0.31 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 3h77 h GLN 61 CO -0.24 0.76 0.13 0.00 -1.93 0.00 0.00 178.83 177.55 3h77 h ALA 62 N 1.14 0.54 -0.18 3.38 0.00 -0.84 0.13 119.26 123.42 3h77 h ALA 62 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h77 h ALA 62 Cb 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3h77 h ALA 62 CO -0.03 0.17 0.12 0.82 0.00 0.00 0.00 179.25 180.33 3h77 h ILE 63 N 0.52 1.05 -0.71 0.00 2.04 -0.85 -1.70 117.51 117.86 3h77 h ILE 63 Ca 0.13 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.83 3h77 h ILE 63 Cb 0.25 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3h77 h ILE 63 CO -0.01 0.05 0.18 -0.08 0.00 0.00 0.00 178.15 178.29 3h77 h GLU 64 N 0.24 1.12 -0.28 2.37 4.81 -1.03 -2.23 114.58 119.58 3h77 h GLU 64 Ca 0.06 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3h77 h GLU 64 Cb -0.02 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 3h77 h GLU 64 CO -0.01 0.98 0.17 0.00 -0.73 0.00 0.00 179.01 179.42 3h77 h ALA 65 N 1.12 1.78 0.00 2.92 0.00 -0.44 -0.54 119.26 124.11 3h77 h ALA 65 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3h77 h ALA 65 Cb 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3h77 h ALA 65 CO 0.00 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.45 3h77 n ALA 66 N -2.50 2.50 -1.88 0.00 0.00 -0.67 -4.69 120.51 113.27 3h77 n ALA 66 Ca 0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 3h77 n ALA 66 Cb 0.08 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.05 3h77 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h77 n GLY 67 N 0.84 0.39 3.80 0.00 0.00 -0.21 -4.94 105.19 105.06 3h77 n GLY 67 Ca 0.19 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 3h77 n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h77 s LEU 68 N -2.80 3.24 0.24 0.99 1.43 -0.87 -5.05 118.68 115.87 3h77 s LEU 68 Ca 0.00 -0.92 0.09 0.00 -1.03 0.00 0.00 54.13 52.26 3h77 s LEU 68 Cb 0.00 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 3h77 s LEU 68 CO 0.00 -0.57 0.02 -0.76 0.23 0.00 0.00 176.35 175.27 3h77 s LEU 69 N -3.99 3.31 0.42 1.79 1.43 -1.26 -4.25 118.68 116.12 3h77 s LEU 69 Ca 0.44 -0.53 0.16 0.00 -1.03 0.00 0.00 54.13 53.16 3h77 s LEU 69 Cb 0.01 -1.86 1.04 0.00 0.03 0.00 0.00 46.19 45.41 3h77 s LEU 69 CO 0.25 0.02 1.90 -0.65 0.23 0.00 0.00 176.35 178.10 3h77 h PRO 70 N 2.01 0.42 0.00 1.29 0.11 -1.87 0.02 132.00 133.98 3h77 h PRO 70 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3h77 h PRO 70 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3h77 h PRO 70 CO 0.60 0.28 0.00 -0.85 -0.21 0.00 0.00 178.00 177.82 3h77 n GLU 71 N -4.49 0.18 0.20 1.05 0.00 -1.26 -1.99 120.64 114.33 3h77 n GLU 71 Ca 0.16 0.53 0.14 0.00 0.00 0.00 0.00 57.16 57.99 3h77 n GLU 71 Cb 0.56 -1.93 0.40 0.00 0.00 0.00 0.00 31.44 30.47 3h77 n GLU 71 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3h77 h ASP 72 N 0.00 0.00 -3.11 -1.84 3.32 -1.38 -3.45 116.42 109.96 3h77 h ASP 72 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3h77 h ASP 72 Cb 0.19 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.76 3h77 h ASP 72 CO 0.00 0.00 0.65 -0.63 -1.72 0.00 0.00 179.24 177.54 3h77 s ILE 73 N -3.34 3.58 -0.23 0.35 -1.09 -0.84 -4.55 121.20 115.08 3h77 s ILE 73 Ca 0.06 1.15 0.20 0.00 -2.23 0.00 0.00 60.65 59.83 3h77 s ILE 73 Cb 0.08 -3.74 -0.29 0.00 -1.58 0.00 0.00 42.46 36.93 3h77 s ILE 73 CO 0.58 0.10 0.53 0.47 -1.23 0.00 0.00 174.94 175.40 3h77 n ASP 74 N 3.83 0.49 -3.66 3.58 8.00 -0.07 -4.78 116.55 123.94 3h77 n ASP 74 Ca 0.10 -0.22 -0.13 0.00 0.71 0.00 0.00 54.79 55.25 3h77 n ASP 74 Cb 0.44 1.72 -0.08 0.00 -0.02 0.00 0.00 41.12 43.18 3h77 n ASP 74 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3h77 s LEU 75 N -4.07 -0.44 -0.09 0.64 2.96 -1.21 -4.34 118.68 112.13 3h77 s LEU 75 Ca -0.04 1.28 0.04 0.00 -0.22 0.00 0.00 54.13 55.19 3h77 s LEU 75 Cb 0.13 2.17 0.00 0.00 0.50 0.00 0.00 46.19 49.00 3h77 s LEU 75 CO 0.84 -0.22 -0.22 -0.22 -1.32 0.00 0.00 176.35 175.20 3h77 s LEU 76 N 0.40 2.02 -0.12 -0.68 2.96 -1.04 -0.91 118.68 121.31 3h77 s LEU 76 Ca -0.01 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 3h77 s LEU 76 Cb -0.04 -1.31 0.01 0.00 0.50 0.00 0.00 46.19 45.35 3h77 s LEU 76 CO -0.00 0.16 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.25 3h77 s LEU 77 N 0.30 1.86 -0.04 -0.68 1.43 -0.06 -1.67 118.68 119.80 3h77 s LEU 77 Ca -0.16 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.50 3h77 s LEU 77 Cb -0.17 -1.21 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 3h77 s LEU 77 CO 0.07 0.04 -0.19 0.68 0.23 0.00 0.00 176.35 177.18 3h77 s VAL 78 N 0.92 1.59 -0.14 -1.59 -7.23 -0.40 -0.94 120.40 112.60 3h77 s VAL 78 Ca -0.07 -0.81 -0.00 0.00 -1.81 0.00 0.00 61.98 59.29 3h77 s VAL 78 Cb -0.15 -1.36 -0.01 0.00 0.56 0.00 0.00 36.38 35.42 3h77 s VAL 78 CO -0.02 0.45 -0.13 0.21 -0.31 0.00 0.00 175.10 175.31 3h77 s ASN 79 N -0.04 3.93 0.00 4.85 3.84 0.33 -0.33 114.94 127.53 3h77 s ASN 79 Ca -0.03 -0.37 -0.28 0.00 0.21 0.00 0.00 52.86 52.39 3h77 s ASN 79 Cb -0.12 -1.61 0.08 0.00 -0.55 0.00 0.00 41.25 39.06 3h77 s ASN 79 CO 0.02 0.13 0.72 0.28 -2.79 0.00 0.00 177.10 175.46 3h77 s THR 80 N 0.54 0.00 -0.10 -5.21 -1.32 -1.25 -2.23 115.64 106.07 3h77 s THR 80 Ca -0.08 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.54 3h77 s THR 80 Cb -0.16 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.05 3h77 s THR 80 CO 0.04 0.00 1.11 0.00 -2.21 0.00 0.00 174.62 173.55 3h77 n LEU 81 N 0.38 1.93 -2.89 9.08 -0.00 -1.26 -4.77 117.00 119.46 3h77 n LEU 81 Ca -0.16 -2.64 -0.17 0.00 -0.00 0.00 0.00 56.01 53.03 3h77 n LEU 81 Cb 0.60 -0.33 -0.01 0.00 -0.00 0.00 0.00 43.42 43.69 3h77 n LEU 81 CO 0.18 0.61 -0.09 -1.54 -0.00 0.00 0.00 177.39 176.56 3h77 n SER 82 N -1.13 2.05 -4.72 1.45 3.41 -1.26 -5.06 113.62 108.36 3h77 n SER 82 Ca 0.12 -3.10 -0.31 0.00 -0.26 0.00 0.00 58.87 55.33 3h77 n SER 82 Cb 0.62 -0.56 0.13 0.00 -0.26 0.00 0.00 64.21 64.14 3h77 n SER 82 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3h77 s PRO 83 N -2.95 1.58 0.26 4.33 0.04 -1.26 -4.44 135.00 132.56 3h77 s PRO 83 Ca 0.38 1.24 -0.02 0.00 0.04 0.00 0.00 61.00 62.63 3h77 s PRO 83 Cb 0.38 -1.81 0.44 0.00 0.04 0.00 0.00 34.50 33.55 3h77 s PRO 83 CO -0.06 -2.14 1.84 -0.44 0.04 0.00 0.00 177.00 176.25 3h77 h ASP 84 N -1.49 0.88 -5.09 6.66 5.19 -1.96 -3.44 116.42 117.17 3h77 h ASP 84 Ca -0.45 0.03 -0.22 0.00 -0.62 0.00 0.00 57.03 55.77 3h77 h ASP 84 Cb 1.25 -0.15 -0.15 0.00 0.18 0.00 0.00 39.33 40.47 3h77 h ASP 84 CO 0.48 0.52 -0.65 -1.00 -3.12 0.00 0.00 179.24 175.47 3h77 s HIS 85 N -6.02 1.00 0.01 4.55 3.76 -1.26 -5.02 115.29 112.32 3h77 s HIS 85 Ca -0.12 -1.16 -0.23 0.00 -0.15 0.00 0.00 55.06 53.40 3h77 s HIS 85 Cb 0.20 -0.57 -0.17 0.00 1.11 0.00 0.00 32.58 33.16 3h77 s HIS 85 CO 0.80 -0.41 1.31 1.25 -0.85 0.00 0.00 174.74 176.84 3h77 h HIS 86 N 2.79 0.24 -3.04 1.40 2.76 -2.01 -3.47 115.15 113.83 3h77 h HIS 86 Ca -0.36 -0.07 -0.07 0.00 -2.20 0.00 0.00 60.37 57.67 3h77 h HIS 86 Cb 1.20 -0.05 -0.16 0.00 1.55 0.00 0.00 27.41 29.95 3h77 h HIS 86 CO 0.47 0.63 -0.08 0.16 -1.30 0.00 0.00 177.93 177.81 3h77 s ASP 87 N -5.94 -0.30 1.03 3.26 1.47 -1.26 -4.81 116.67 110.12 3h77 s ASP 87 Ca -0.15 -0.02 -0.04 0.00 1.18 0.00 0.00 52.55 53.52 3h77 s ASP 87 Cb 0.04 0.44 0.06 0.00 -0.34 0.00 0.00 42.92 43.12 3h77 s ASP 87 CO 0.72 -0.70 0.27 -0.81 0.68 0.00 0.00 175.17 175.33 3h77 n PRO 88 N 0.39 -0.95 -1.16 2.11 -0.04 -1.26 -5.11 135.00 128.99 3h77 n PRO 88 Ca -0.18 -0.43 -0.34 0.00 -0.04 0.00 0.00 63.50 62.51 3h77 n PRO 88 Cb 0.60 -0.34 0.12 0.00 -0.04 0.00 0.00 33.50 33.84 3h77 n PRO 88 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3h77 n SER 89 N -3.32 1.02 -0.04 3.54 3.41 -1.26 -4.83 113.62 112.13 3h77 n SER 89 Ca 0.04 0.60 0.01 0.00 -0.26 0.00 0.00 58.87 59.26 3h77 n SER 89 Cb 0.13 -1.50 0.32 0.00 -0.26 0.00 0.00 64.21 62.90 3h77 n SER 89 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3h77 h GLN 90 N -0.78 0.63 -0.53 4.33 5.75 -1.93 -2.34 115.11 120.24 3h77 h GLN 90 Ca -0.47 -0.09 0.01 0.00 -0.15 0.00 0.00 58.65 57.95 3h77 h GLN 90 Cb 1.30 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.71 3h77 h GLN 90 CO 0.46 0.53 0.35 0.00 -2.65 0.00 0.00 178.83 177.52 3h77 h ALA 91 N 1.57 0.67 -0.32 3.38 0.00 -1.90 -1.31 119.26 121.34 3h77 h ALA 91 Ca 0.15 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3h77 h ALA 91 Cb 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3h77 h ALA 91 CO -0.01 0.11 0.18 0.00 0.00 0.00 0.00 179.25 179.53 3h77 h LEU 93 N 0.38 0.29 0.00 0.00 6.46 -1.02 -2.92 115.31 118.50 3h77 h LEU 93 Ca 0.13 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 3h77 h LEU 93 Cb 0.01 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 3h77 h LEU 93 CO -0.06 0.17 -0.48 2.30 -0.62 0.00 0.00 178.44 179.75 3h77 n ILE 94 N -4.96 0.21 0.12 4.05 -5.35 -0.53 -4.26 119.36 108.64 3h77 n ILE 94 Ca 0.09 -0.15 -0.13 0.00 -0.27 0.00 0.00 62.75 62.29 3h77 n ILE 94 Cb 0.27 -0.07 -0.06 0.00 -1.74 0.00 0.00 39.64 38.04 3h77 n ILE 94 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3h77 h GLN 95 N 0.00 -0.52 -0.06 6.28 4.15 -1.05 -0.83 115.11 123.08 3h77 h GLN 95 Ca 0.00 0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.38 3h77 h GLN 95 Cb 0.64 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 3h77 h GLN 95 CO 0.00 -0.35 -0.33 -1.00 -1.93 0.00 0.00 178.83 175.23 3h77 h PRO 96 N -0.54 0.11 -0.91 -2.39 0.13 -1.74 -2.45 132.00 124.21 3h77 h PRO 96 Ca 0.03 -0.04 0.07 0.00 -0.87 0.00 0.00 66.00 65.19 3h77 h PRO 96 Cb 0.57 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.63 3h77 h PRO 96 CO -0.18 0.43 0.59 -0.07 -0.23 0.00 0.00 178.00 178.55 3h77 h LEU 97 N 0.10 0.91 0.00 1.56 3.38 -1.60 -2.38 115.31 117.27 3h77 h LEU 97 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3h77 h LEU 97 Cb 0.63 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3h77 h LEU 97 CO 0.05 0.58 -0.17 0.18 0.09 0.00 0.00 178.44 179.17 3h77 n LEU 98 N -4.50 0.73 -0.94 1.67 4.77 -0.37 -4.95 117.00 113.42 3h77 n LEU 98 Ca 0.14 0.47 -0.07 0.00 -0.03 0.00 0.00 56.01 56.52 3h77 n LEU 98 Cb 0.21 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3h77 n LEU 98 CO 0.32 -0.13 -0.05 0.61 -1.33 0.00 0.00 177.39 176.81 3h77 n GLY 99 N 1.33 0.16 3.82 -0.72 0.00 -0.90 -4.77 105.19 104.11 3h77 n GLY 99 Ca 0.05 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 3h77 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h77 s LEU 100 N -2.22 3.32 1.22 0.99 1.43 -1.07 -4.29 118.68 118.06 3h77 s LEU 100 Ca 0.04 1.69 -0.18 0.00 -1.03 0.00 0.00 54.13 54.65 3h77 s LEU 100 Cb -0.02 -4.51 0.29 0.00 0.03 0.00 0.00 46.19 41.98 3h77 s LEU 100 CO 0.05 -1.26 1.05 -0.13 0.23 0.00 0.00 176.35 176.29 3h77 s ARG 101 N -4.58 -1.37 -1.40 1.70 0.52 -1.26 -4.84 118.95 107.72 3h77 s ARG 101 Ca 0.60 0.21 -0.07 0.00 -0.52 0.00 0.00 55.73 55.96 3h77 s ARG 101 Cb -0.14 -1.55 0.07 0.00 0.52 0.00 0.00 34.95 33.84 3h77 s ARG 101 CO 0.46 -3.87 2.50 0.72 0.02 0.00 0.00 175.30 175.13 3h77 n HIS 102 N -4.92 2.58 -2.37 -0.53 8.25 -1.26 -4.91 115.22 112.06 3h77 n HIS 102 Ca 0.10 -2.89 -0.26 0.00 -0.26 0.00 0.00 57.72 54.41 3h77 n HIS 102 Cb 0.58 -2.01 0.04 0.00 1.12 0.00 0.00 29.99 29.73 3h77 n HIS 102 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3h77 s ILE 103 N -0.24 3.42 0.25 1.59 -4.36 -1.26 -5.04 121.20 115.56 3h77 s ILE 103 Ca 0.57 -0.05 -0.31 0.00 -0.26 0.00 0.00 60.65 60.60 3h77 s ILE 103 Cb 0.18 -3.37 -0.12 0.00 1.25 0.00 0.00 42.46 40.40 3h77 s ILE 103 CO -0.08 -0.39 1.66 -0.81 0.24 0.00 0.00 174.94 175.56 3h77 n PRO 104 N -2.63 2.74 -4.06 0.37 -0.04 -1.26 -4.96 135.00 125.16 3h77 n PRO 104 Ca 0.05 0.98 -0.15 0.00 -0.04 0.00 0.00 63.50 64.34 3h77 n PRO 104 Cb 0.58 -2.80 -0.15 0.00 -0.04 0.00 0.00 33.50 31.10 3h77 n PRO 104 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3h77 s VAL 105 N 0.56 0.29 0.05 0.52 -7.23 -1.26 -2.50 120.40 110.83 3h77 s VAL 105 Ca 0.69 -0.13 -0.16 0.00 -1.81 0.00 0.00 61.98 60.57 3h77 s VAL 105 Cb -0.50 -0.27 0.03 0.00 0.56 0.00 0.00 36.38 36.20 3h77 s VAL 105 CO 0.41 0.10 0.38 -1.48 -0.31 0.00 0.00 175.10 174.19 3h77 s LEU 106 N 0.11 0.56 0.32 1.32 2.34 -0.67 -4.71 118.68 117.95 3h77 s LEU 106 Ca -0.01 -0.10 -0.06 0.00 0.06 0.00 0.00 54.13 54.02 3h77 s LEU 106 Cb -0.04 1.63 -0.05 0.00 -0.56 0.00 0.00 46.19 47.16 3h77 s LEU 106 CO -0.00 -0.67 0.61 -1.81 -1.06 0.00 0.00 176.35 173.42 3h77 s ASP 107 N -2.12 6.46 0.27 1.48 1.11 -1.26 -1.28 116.67 121.34 3h77 s ASP 107 Ca -0.04 0.82 0.12 0.00 0.18 0.00 0.00 52.55 53.63 3h77 s ASP 107 Cb -0.00 -2.19 -0.05 0.00 1.07 0.00 0.00 42.92 41.75 3h77 s ASP 107 CO -0.04 -0.25 -0.17 0.27 1.18 0.00 0.00 175.17 176.15 3h77 s ILE 108 N -2.17 2.61 -0.24 0.77 -4.36 0.55 -4.84 121.20 113.53 3h77 s ILE 108 Ca 0.46 -2.32 0.01 0.00 -0.26 0.00 0.00 60.65 58.54 3h77 s ILE 108 Cb -0.11 -2.37 0.06 0.00 1.25 0.00 0.00 42.46 41.30 3h77 s ILE 108 CO 0.30 -0.38 -0.04 -0.13 0.24 0.00 0.00 174.94 174.93 3h77 s ARG 109 N -3.48 1.53 -0.00 0.37 1.81 -1.26 -3.94 118.95 113.97 3h77 s ARG 109 Ca 0.30 -0.97 0.01 0.00 -1.72 0.00 0.00 55.73 53.34 3h77 s ARG 109 Cb -0.05 -2.55 0.01 0.00 -0.45 0.00 0.00 34.95 31.90 3h77 s ARG 109 CO 0.15 -0.62 0.86 0.00 -0.68 0.00 0.00 175.30 175.01 3h77 n ALA 110 N 4.69 1.71 0.00 2.13 0.00 -1.26 -5.07 120.51 122.72 3h77 n ALA 110 Ca -0.11 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.42 3h77 n ALA 110 Cb 0.44 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.55 3h77 n ALA 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3h77 n GLN 111 N -0.06 0.00 0.00 0.00 3.00 -1.26 -3.47 117.38 115.58 3h77 n GLN 111 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 3h77 n GLN 111 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.87 3h77 n GLN 111 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 3h77 n SER 113 N 0.00 0.00 -0.26 1.08 7.64 -1.26 -4.40 113.62 116.42 3h77 n SER 113 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.95 3h77 n SER 113 Cb 0.00 -0.22 0.20 0.00 -1.01 0.00 0.00 64.21 63.17 3h77 n SER 113 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3h77 h GLY 114 N 0.00 1.08 0.99 0.23 0.00 -1.86 -1.39 103.07 102.11 3h77 h GLY 114 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3h77 h GLY 114 CO 0.00 -0.22 0.16 -2.00 0.00 0.00 0.00 176.54 174.49 3h77 h LEU 115 N 0.27 0.30 -0.30 3.11 6.46 -1.85 0.21 115.31 123.50 3h77 h LEU 115 Ca 0.43 -0.03 -0.19 0.00 -0.12 0.00 0.00 57.88 57.97 3h77 h LEU 115 Cb 0.76 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.60 3h77 h LEU 115 CO -0.52 0.24 -0.86 -0.07 -0.62 0.00 0.00 178.44 176.60 3h77 h LEU 116 N 0.33 0.21 -0.46 2.25 3.38 -1.79 0.14 115.31 119.37 3h77 h LEU 116 Ca 0.09 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3h77 h LEU 116 Cb -0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3h77 h LEU 116 CO -0.02 0.97 0.03 1.88 0.09 0.00 0.00 178.44 181.39 3h77 h TYR 117 N 0.09 0.85 -0.61 1.13 0.05 -1.11 -0.69 116.97 116.68 3h77 h TYR 117 Ca -0.04 -0.14 -0.04 0.00 0.05 0.00 0.00 58.73 58.56 3h77 h TYR 117 Cb 1.49 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 38.97 3h77 h TYR 117 CO 0.02 0.82 0.22 0.78 -1.05 0.00 0.00 178.16 178.95 3h77 h GLY 118 N 0.64 1.00 1.37 3.88 0.00 -0.33 -2.25 103.07 107.38 3h77 h GLY 118 Ca 0.13 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 46.83 3h77 h GLY 118 CO 0.02 0.53 0.03 -2.00 0.00 0.00 0.00 176.54 175.12 3h77 h LEU 119 N 0.86 0.74 -0.48 3.11 5.85 -0.59 -0.46 115.31 124.33 3h77 h LEU 119 Ca 0.20 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3h77 h LEU 119 Cb 0.24 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3h77 h LEU 119 CO -0.01 0.78 0.16 -0.61 -0.34 0.00 0.00 178.44 178.43 3h77 h GLN 120 N 0.73 0.74 -0.64 1.25 5.75 -0.89 0.20 115.11 122.25 3h77 h GLN 120 Ca 0.15 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3h77 h GLN 120 Cb 0.40 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.81 3h77 h GLN 120 CO 0.01 0.69 0.37 0.52 -2.65 0.00 0.00 178.83 177.77 3h77 h MET 121 N 0.65 0.87 -0.32 1.69 2.86 -1.07 -1.75 114.93 117.86 3h77 h MET 121 Ca 0.16 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 3h77 h MET 121 Cb 0.25 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3h77 h MET 121 CO -0.01 0.64 0.14 0.00 1.06 0.00 0.00 176.91 178.75 3h77 h ALA 122 N 1.18 0.42 -0.48 6.32 0.00 -0.86 -1.20 119.26 124.65 3h77 h ALA 122 Ca 0.23 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3h77 h ALA 122 Cb 0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 3h77 h ALA 122 CO -0.04 -0.00 0.15 -0.09 0.00 0.00 0.00 179.25 179.26 3h77 h ARG 123 N 0.38 0.30 -0.10 0.00 2.43 -0.41 -1.12 114.38 115.85 3h77 h ARG 123 Ca 0.11 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3h77 h ARG 123 Cb 0.15 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3h77 h ARG 123 CO -0.01 0.20 0.05 0.78 -1.51 0.00 0.00 179.97 179.47 3h77 h GLY 124 N 0.31 0.16 0.89 2.80 0.00 -1.09 -0.52 103.07 105.62 3h77 h GLY 124 Ca 0.23 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.52 3h77 h GLY 124 CO -0.26 0.07 0.55 1.46 0.00 0.00 0.00 176.54 178.36 3h77 h GLN 125 N 0.04 1.04 -0.15 4.80 1.08 -0.88 -0.36 115.11 120.68 3h77 h GLN 125 Ca 0.04 -0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.08 3h77 h GLN 125 Cb 0.12 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 3h77 h GLN 125 CO -0.00 0.69 -0.26 0.82 -0.95 0.00 0.00 178.83 179.13 3h77 h ILE 126 N 1.07 1.36 0.00 2.54 2.04 -1.07 0.73 117.51 124.18 3h77 h ILE 126 Ca 0.33 -1.50 -0.06 0.00 1.00 0.00 0.00 64.86 64.63 3h77 h ILE 126 Cb -0.01 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 3h77 h ILE 126 CO -0.11 0.45 -0.31 -0.07 0.00 0.00 0.00 178.15 178.11 3h77 h LEU 127 N 0.04 0.00 0.00 1.44 3.38 -0.93 -1.96 115.31 117.28 3h77 h LEU 127 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3h77 h LEU 127 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3h77 h LEU 127 CO 0.06 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.89 3h77 n ALA 128 N -2.27 2.35 -1.24 1.53 0.00 -0.16 -4.91 120.51 115.81 3h77 n ALA 128 Ca -0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.29 3h77 n ALA 128 Cb 0.47 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 3h77 n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h77 n GLY 129 N 1.44 0.66 0.02 0.00 0.00 -0.74 -4.94 105.19 101.64 3h77 n GLY 129 Ca 0.08 -0.85 0.11 0.00 0.00 0.00 0.00 46.02 45.37 3h77 n GLY 129 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h77 n LEU 130 N -0.52 0.63 -3.66 0.99 4.77 0.22 -4.94 117.00 114.50 3h77 n LEU 130 Ca -0.05 -0.04 -0.13 0.00 -0.03 0.00 0.00 56.01 55.76 3h77 n LEU 130 Cb 0.19 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 3h77 n LEU 130 CO 0.07 0.08 0.17 0.00 -1.33 0.00 0.00 177.39 176.38 3h77 s ALA 131 N -3.11 -1.08 -0.18 -1.18 0.00 -1.10 -4.98 121.76 110.13 3h77 s ALA 131 Ca 0.07 0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.50 3h77 s ALA 131 Cb 0.15 0.28 -0.13 0.00 0.00 0.00 0.00 23.12 23.41 3h77 s ALA 131 CO 0.77 -0.42 -0.12 -2.13 0.00 0.00 0.00 175.76 173.86 3h77 n ARG 132 N 0.65 0.71 -3.94 0.00 0.63 -1.26 -4.16 116.66 109.29 3h77 n ARG 132 Ca -0.19 0.08 -0.22 0.00 -0.92 0.00 0.00 57.85 56.60 3h77 n ARG 132 Cb 0.59 -1.37 -0.17 0.00 0.45 0.00 0.00 32.46 31.96 3h77 n ARG 132 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3h77 s HIS 133 N -2.37 0.81 -0.09 -0.14 3.76 -1.26 -3.38 115.29 112.62 3h77 s HIS 133 Ca -0.21 -0.26 0.04 0.00 -0.15 0.00 0.00 55.06 54.48 3h77 s HIS 133 Cb 0.06 -0.81 0.00 0.00 1.11 0.00 0.00 32.58 32.94 3h77 s HIS 133 CO 0.47 -0.30 -0.23 0.08 -0.85 0.00 0.00 174.74 173.91 3h77 s VAL 134 N 1.55 1.95 -0.22 -0.90 1.01 0.02 -0.89 120.40 122.92 3h77 s VAL 134 Ca -0.01 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 3h77 s VAL 134 Cb -0.13 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 3h77 s VAL 134 CO -0.04 0.54 0.14 -0.22 0.00 0.00 0.00 175.10 175.52 3h77 s LEU 135 N 0.36 4.05 -0.15 3.92 2.96 -0.09 -0.58 118.68 129.15 3h77 s LEU 135 Ca -0.18 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 3h77 s LEU 135 Cb -0.18 -2.07 0.01 0.00 0.50 0.00 0.00 46.19 44.45 3h77 s LEU 135 CO 0.08 0.10 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.32 3h77 s VAL 136 N 0.86 2.18 -0.07 1.68 1.01 -0.10 -0.88 120.40 125.08 3h77 s VAL 136 Ca 0.07 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.15 3h77 s VAL 136 Cb -0.13 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.37 3h77 s VAL 136 CO 0.03 0.54 -0.15 -0.69 0.00 0.00 0.00 175.10 174.83 3h77 s VAL 137 N 0.92 1.34 -0.09 2.92 1.01 -0.12 -1.02 120.40 125.37 3h77 s VAL 137 Ca -0.04 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.37 3h77 s VAL 137 Cb -0.15 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 35.03 3h77 s VAL 137 CO -0.04 0.40 -0.23 0.00 0.00 0.00 0.00 175.10 175.23 3h77 s GLY 139 N 0.21 -0.20 -0.00 0.00 0.00 -0.95 -0.81 107.32 105.57 3h77 s GLY 139 Ca -0.14 0.62 -0.01 0.00 0.00 0.00 0.00 44.72 45.18 3h77 s GLY 139 CO 0.07 0.44 0.02 -0.54 0.00 0.00 0.00 173.10 173.10 3h77 s GLU 140 N -0.68 0.18 -0.53 2.90 0.41 -0.25 -4.45 118.70 116.29 3h77 s GLU 140 Ca -0.08 -0.22 0.01 0.00 -0.41 0.00 0.00 54.97 54.28 3h77 s GLU 140 Cb -0.04 0.07 0.14 0.00 -1.78 0.00 0.00 34.13 32.52 3h77 s GLU 140 CO 0.03 -0.03 0.29 0.08 -0.49 0.00 0.00 175.26 175.14 3h77 s VAL 141 N -0.63 2.95 -0.52 2.63 1.01 -1.26 -1.56 120.40 123.01 3h77 s VAL 141 Ca -0.07 -3.04 0.23 0.00 0.00 0.00 0.00 61.98 59.10 3h77 s VAL 141 Cb -0.04 -3.01 -0.06 0.00 0.00 0.00 0.00 36.38 33.27 3h77 s VAL 141 CO -0.00 -0.80 1.08 0.18 0.00 0.00 0.00 175.10 175.57 3h77 n LEU 142 N 3.42 0.65 0.14 3.92 4.77 -1.25 -3.77 117.00 124.89 3h77 n LEU 142 Ca 0.05 0.11 0.10 0.00 -0.03 0.00 0.00 56.01 56.24 3h77 n LEU 142 Cb 0.35 -0.11 0.60 0.00 -2.33 0.00 0.00 43.42 41.93 3h77 n LEU 142 CO 0.33 -0.03 1.11 0.77 -1.33 0.00 0.00 177.39 178.24 3h77 h SER 143 N 0.00 0.11 -0.01 -1.43 4.64 -1.83 0.56 113.55 115.59 3h77 h SER 143 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h77 h SER 143 Cb 0.79 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3h77 h SER 143 CO 0.00 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 176.33 3h77 n LYS 144 N -4.50 1.28 -0.62 4.77 5.02 -1.25 -3.48 118.16 119.39 3h77 n LYS 144 Ca 0.01 -0.40 0.06 0.00 -2.02 0.00 0.00 58.31 55.96 3h77 n LYS 144 Cb 0.19 -1.49 0.19 0.00 -0.02 0.00 0.00 35.03 33.91 3h77 n LYS 144 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3h77 n ARG 145 N -0.51 1.47 -3.18 1.97 1.74 0.17 -5.03 116.66 113.28 3h77 n ARG 145 Ca 0.22 -3.17 -0.39 0.00 -0.77 0.00 0.00 57.85 53.74 3h77 n ARG 145 Cb 0.21 -1.51 -0.05 0.00 -1.02 0.00 0.00 32.46 30.09 3h77 n ARG 145 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3h77 s MET 146 N -3.01 4.35 -0.48 5.56 -1.94 -1.12 -4.69 119.30 117.97 3h77 s MET 146 Ca 0.37 0.63 -0.14 0.00 -1.71 0.00 0.00 55.69 54.84 3h77 s MET 146 Cb 0.36 -3.47 0.09 0.00 2.01 0.00 0.00 34.83 33.83 3h77 s MET 146 CO -0.07 0.05 0.39 0.34 -0.01 0.00 0.00 175.02 175.72 3h77 s ASP 147 N 0.79 6.02 0.00 3.03 2.15 -1.26 -4.95 116.67 122.45 3h77 s ASP 147 Ca 0.30 -1.50 0.28 0.00 0.43 0.00 0.00 52.55 52.07 3h77 s ASP 147 Cb -0.16 -2.14 1.05 0.00 -0.30 0.00 0.00 42.92 41.38 3h77 s ASP 147 CO 0.13 -0.67 1.75 0.00 -0.17 0.00 0.00 175.17 176.21 3h77 s SER 149 N -2.33 2.16 0.50 0.00 1.04 -1.26 -4.37 113.70 109.43 3h77 s SER 149 Ca 0.31 1.50 0.16 0.00 0.48 0.00 0.00 55.95 58.41 3h77 s SER 149 Cb 0.20 -2.19 1.20 0.00 0.10 0.00 0.00 66.02 65.33 3h77 s SER 149 CO 0.45 -3.47 2.09 0.44 0.98 0.00 0.00 173.24 173.73 3h77 h ASP 150 N -2.12 0.00 0.34 7.02 3.32 -1.96 0.28 116.42 123.30 3h77 h ASP 150 Ca -0.55 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.43 3h77 h ASP 150 Cb 1.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 3h77 h ASP 150 CO 0.52 0.07 -0.31 -0.09 -1.72 0.00 0.00 179.24 177.71 3h77 h ARG 151 N 0.00 0.00 0.00 3.56 2.43 -1.91 -3.28 114.38 115.18 3h77 h ARG 151 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3h77 h ARG 151 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3h77 h ARG 151 CO 0.01 0.31 -1.62 0.41 -1.51 0.00 0.00 179.97 177.57 3h77 n GLY 152 N -0.58 -0.88 0.32 2.80 0.00 -0.33 -4.60 105.19 101.91 3h77 n GLY 152 Ca -0.02 -0.49 0.15 0.00 0.00 0.00 0.00 46.02 45.66 3h77 n GLY 152 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3h77 h ARG 153 N 0.00 0.00 -0.03 1.61 0.11 -1.05 -0.12 114.38 114.91 3h77 h ARG 153 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3h77 h ARG 153 Cb 0.78 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.86 3h77 h ARG 153 CO 0.00 0.00 0.02 -2.95 0.10 0.00 0.00 179.97 177.14 3h77 h ASN 154 N 0.00 0.01 0.00 0.08 -1.07 -1.81 -3.08 115.58 109.71 3h77 h ASN 154 Ca 0.08 -0.00 -0.33 0.00 0.07 0.00 0.00 56.30 56.13 3h77 h ASN 154 Cb 0.40 -0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.59 3h77 h ASN 154 CO -0.00 0.01 -2.18 -0.11 0.07 0.00 0.00 177.43 175.22 3h77 n LEU 155 N -4.53 2.48 -0.25 6.14 7.94 -0.32 -4.65 117.00 123.80 3h77 n LEU 155 Ca -0.02 0.02 0.14 0.00 -1.11 0.00 0.00 56.01 55.03 3h77 n LEU 155 Cb 0.10 -0.69 0.42 0.00 0.53 0.00 0.00 43.42 43.79 3h77 n LEU 155 CO 0.34 0.71 1.22 0.28 -1.11 0.00 0.00 177.39 178.83 3h77 h SER 156 N -0.27 0.57 0.16 1.96 0.02 -1.10 -0.33 113.55 114.56 3h77 h SER 156 Ca -0.49 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3h77 h SER 156 Cb 1.63 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.09 3h77 h SER 156 CO -0.16 0.28 0.00 0.16 -1.14 0.00 0.00 176.83 175.97 3h77 h ILE 157 N 0.60 0.00 0.00 3.27 3.07 -1.80 -2.67 117.51 119.98 3h77 h ILE 157 Ca 0.44 -0.06 -0.14 0.00 1.55 0.00 0.00 64.86 66.65 3h77 h ILE 157 Cb 0.81 0.79 -0.03 0.00 -0.27 0.00 0.00 36.82 38.12 3h77 h ILE 157 CO -0.19 0.00 -1.70 0.18 -1.05 0.00 0.00 178.15 175.39 3h77 n LEU 158 N -2.60 0.46 -4.68 0.16 4.77 -0.14 -4.99 117.00 109.99 3h77 n LEU 158 Ca -0.01 0.20 -0.42 0.00 -0.03 0.00 0.00 56.01 55.74 3h77 n LEU 158 Cb 0.09 0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 3h77 n LEU 158 CO 0.16 0.13 0.97 -0.76 -1.33 0.00 0.00 177.39 176.56 3h77 s LEU 159 N -5.33 4.27 0.41 2.23 1.43 -1.01 0.64 118.68 121.33 3h77 s LEU 159 Ca -0.05 1.82 0.04 0.00 -1.03 0.00 0.00 54.13 54.91 3h77 s LEU 159 Cb 0.10 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 3h77 s LEU 159 CO 0.84 -0.61 0.04 -0.83 0.23 0.00 0.00 176.35 176.02 3h77 s GLY 160 N 1.55 2.52 0.14 -3.19 0.00 0.59 -4.68 107.32 104.25 3h77 s GLY 160 Ca 0.56 -1.64 0.09 0.00 0.00 0.00 0.00 44.72 43.73 3h77 s GLY 160 CO 0.21 -2.00 -0.16 0.99 0.00 0.00 0.00 173.10 172.14 3h77 s ASP 161 N -3.67 3.94 0.00 1.64 1.01 -0.25 -3.75 116.67 115.60 3h77 s ASP 161 Ca 0.27 -0.59 0.00 0.00 0.71 0.00 0.00 52.55 52.94 3h77 s ASP 161 Cb 0.07 -0.57 0.00 0.00 1.01 0.00 0.00 42.92 43.43 3h77 s ASP 161 CO 0.13 0.15 0.00 0.61 0.21 0.00 0.00 175.17 176.28 3h77 n GLY 162 N 0.54 1.62 3.13 0.21 0.00 -0.60 -4.53 105.19 105.56 3h77 n GLY 162 Ca -0.14 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 3h77 n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h77 s ALA 163 N -2.00 -0.54 0.04 4.61 0.00 -0.47 -1.08 121.76 122.32 3h77 s ALA 163 Ca 0.00 0.37 0.04 0.00 0.00 0.00 0.00 51.96 52.37 3h77 s ALA 163 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 3h77 s ALA 163 CO 0.00 -0.16 -0.13 0.20 0.00 0.00 0.00 175.76 175.67 3h77 s GLY 164 N -0.57 0.73 0.01 0.00 0.00 0.01 -1.01 107.32 106.49 3h77 s GLY 164 Ca -0.07 -0.80 -0.03 0.00 0.00 0.00 0.00 44.72 43.82 3h77 s GLY 164 CO 0.01 -0.78 0.06 0.00 0.00 0.00 0.00 173.10 172.39 3h77 s ALA 165 N -0.90 -0.11 0.05 3.20 0.00 0.21 -1.06 121.76 123.15 3h77 s ALA 165 Ca -0.00 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 51.71 3h77 s ALA 165 Cb -0.08 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 3h77 s ALA 165 CO 0.01 -0.16 -0.10 0.14 0.00 0.00 0.00 175.76 175.65 3h77 s VAL 166 N -1.21 0.76 -0.18 0.00 -7.23 -0.19 -1.04 120.40 111.31 3h77 s VAL 166 Ca -0.13 -1.14 -0.04 0.00 -1.81 0.00 0.00 61.98 58.85 3h77 s VAL 166 Cb -0.08 -0.78 -0.03 0.00 0.56 0.00 0.00 36.38 36.06 3h77 s VAL 166 CO 0.00 -0.31 -0.01 -0.69 -0.31 0.00 0.00 175.10 173.78 3h77 s VAL 167 N -1.30 3.94 -0.14 1.32 1.01 0.32 -0.92 120.40 124.63 3h77 s VAL 167 Ca -0.07 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 3h77 s VAL 167 Cb -0.10 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 3h77 s VAL 167 CO 0.01 0.46 0.03 -0.69 0.00 0.00 0.00 175.10 174.91 3h77 s VAL 168 N 0.71 4.51 0.23 2.92 1.01 0.25 -0.20 120.40 129.83 3h77 s VAL 168 Ca -0.01 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.84 3h77 s VAL 168 Cb -0.14 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 3h77 s VAL 168 CO 0.02 0.52 0.06 -0.44 0.00 0.00 0.00 175.10 175.26 3h77 s SER 169 N -0.10 1.22 0.50 3.32 0.01 -0.49 -0.80 113.70 117.37 3h77 s SER 169 Ca 0.05 -1.31 -0.24 0.00 1.31 0.00 0.00 55.95 55.77 3h77 s SER 169 Cb -0.12 0.14 -0.07 0.00 0.21 0.00 0.00 66.02 66.18 3h77 s SER 169 CO 0.02 -0.67 1.40 0.00 0.41 0.00 0.00 173.24 174.40 3h77 s ALA 170 N -3.71 3.04 0.43 1.44 0.00 -1.22 -1.28 121.76 120.47 3h77 s ALA 170 Ca 0.33 1.42 0.07 0.00 0.00 0.00 0.00 51.96 53.78 3h77 s ALA 170 Cb 0.07 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 3h77 s ALA 170 CO 0.10 -1.30 0.27 0.20 0.00 0.00 0.00 175.76 175.03 3h77 s GLY 171 N -0.70 2.29 0.00 0.00 0.00 -1.16 -4.52 107.32 103.22 3h77 s GLY 171 Ca 0.66 -1.91 0.14 0.00 0.00 0.00 0.00 44.72 43.61 3h77 s GLY 171 CO 0.53 -1.85 0.66 1.18 0.00 0.00 0.00 173.10 173.62 3h77 n GLU 172 N -1.41 2.17 -4.00 2.90 1.02 -1.26 -3.51 120.64 116.55 3h77 n GLU 172 Ca 0.00 -0.22 -0.12 0.00 -0.02 0.00 0.00 57.16 56.80 3h77 n GLU 172 Cb 0.64 -1.19 -0.13 0.00 -0.02 0.00 0.00 31.44 30.74 3h77 n GLU 172 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3h77 s SER 173 N -2.18 0.38 0.30 1.62 0.15 -1.26 -4.59 113.70 108.11 3h77 s SER 173 Ca 0.07 -0.30 0.26 0.00 0.70 0.00 0.00 55.95 56.68 3h77 s SER 173 Cb 0.11 0.03 0.96 0.00 -1.71 0.00 0.00 66.02 65.41 3h77 s SER 173 CO 0.52 -0.13 1.77 -0.07 1.20 0.00 0.00 173.24 176.53 3h77 h LEU 174 N 5.29 0.00 0.00 3.45 3.38 -1.90 -0.65 115.31 124.88 3h77 h LEU 174 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3h77 h LEU 174 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3h77 h LEU 174 CO 0.45 0.00 -0.34 -1.84 0.09 0.00 0.00 178.44 176.81 3h77 n GLU 175 N -2.43 0.04 -3.04 1.13 0.28 -1.26 -4.83 120.64 110.52 3h77 n GLU 175 Ca 0.03 0.02 -0.09 0.00 -0.16 0.00 0.00 57.16 56.95 3h77 n GLU 175 Cb 0.31 -1.53 -0.03 0.00 1.43 0.00 0.00 31.44 31.62 3h77 n GLU 175 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3h77 n ASP 176 N -1.59 -0.59 0.00 -1.84 5.68 -1.24 -4.91 116.55 112.06 3h77 n ASP 176 Ca 0.06 -2.11 0.00 0.00 -0.50 0.00 0.00 54.79 52.23 3h77 n ASP 176 Cb 0.35 1.19 0.00 0.00 -1.14 0.00 0.00 41.12 41.52 3h77 n ASP 176 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h77 n GLY 177 N -0.33 0.59 3.52 6.12 0.00 0.19 -4.26 105.19 111.03 3h77 n GLY 177 Ca 0.02 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 3h77 n GLY 177 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h77 s LEU 178 N 0.00 3.77 0.17 0.99 2.96 0.08 -0.98 118.68 125.66 3h77 s LEU 178 Ca 0.00 -1.16 -0.09 0.00 -0.22 0.00 0.00 54.13 52.66 3h77 s LEU 178 Cb 0.00 -2.52 0.04 0.00 0.50 0.00 0.00 46.19 44.22 3h77 s LEU 178 CO 0.00 -1.53 1.60 -0.07 -1.32 0.00 0.00 176.35 175.02 3h77 h LEU 179 N 12.28 1.04 -7.00 -0.68 4.07 -1.25 -3.43 115.31 120.34 3h77 h LEU 179 Ca -0.03 -0.35 0.04 0.00 0.08 0.00 0.00 57.88 57.62 3h77 h LEU 179 Cb 1.03 -0.28 -0.15 0.00 1.08 0.00 0.00 40.66 42.35 3h77 h LEU 179 CO 1.30 1.15 0.36 -0.62 -1.08 0.00 0.00 178.44 179.54 3h77 s ASP 180 N -6.66 -0.47 -0.27 -0.43 2.15 -1.13 -4.99 116.67 104.87 3h77 s ASP 180 Ca -0.11 0.07 -0.12 0.00 0.43 0.00 0.00 52.55 52.82 3h77 s ASP 180 Cb 0.13 0.48 0.10 0.00 -0.30 0.00 0.00 42.92 43.33 3h77 s ASP 180 CO 0.87 -0.75 0.62 -0.22 -0.17 0.00 0.00 175.17 175.51 3h77 s LEU 181 N -2.43 -0.91 -0.09 -1.34 0.20 -1.26 -1.28 118.68 111.57 3h77 s LEU 181 Ca 0.02 1.42 0.01 0.00 0.69 0.00 0.00 54.13 56.27 3h77 s LEU 181 Cb -0.01 2.14 0.02 0.00 -0.43 0.00 0.00 46.19 47.91 3h77 s LEU 181 CO -0.09 -0.23 -0.09 -0.13 -0.29 0.00 0.00 176.35 175.53 3h77 s ARG 182 N 2.22 1.53 0.31 1.98 0.52 -0.06 -4.99 118.95 120.45 3h77 s ARG 182 Ca -0.07 -0.30 0.08 0.00 -0.52 0.00 0.00 55.73 54.92 3h77 s ARG 182 Cb -0.09 -1.46 -0.04 0.00 0.52 0.00 0.00 34.95 33.88 3h77 s ARG 182 CO -0.18 -0.15 0.11 -0.51 0.02 0.00 0.00 175.30 174.59 3h77 s LEU 183 N 1.28 3.32 0.34 2.53 1.43 -1.26 -0.87 118.68 125.44 3h77 s LEU 183 Ca -0.03 -0.66 -0.18 0.00 -1.03 0.00 0.00 54.13 52.23 3h77 s LEU 183 Cb -0.14 -1.82 0.04 0.00 0.03 0.00 0.00 46.19 44.30 3h77 s LEU 183 CO -0.03 -0.18 0.75 -0.83 0.23 0.00 0.00 176.35 176.29 3h77 s GLY 184 N -3.80 0.21 -0.04 -3.19 0.00 -0.48 -4.96 107.32 95.06 3h77 s GLY 184 Ca 0.35 -0.59 -0.29 0.00 0.00 0.00 0.00 44.72 44.19 3h77 s GLY 184 CO 0.22 -0.24 0.88 0.00 0.00 0.00 0.00 173.10 173.96 3h77 s ALA 185 N -2.99 -1.83 -0.32 3.20 0.00 -1.26 -1.25 121.76 117.30 3h77 s ALA 185 Ca 0.14 1.18 0.04 0.00 0.00 0.00 0.00 51.96 53.32 3h77 s ALA 185 Cb -0.05 0.07 0.17 0.00 0.00 0.00 0.00 23.12 23.30 3h77 s ALA 185 CO 0.10 -0.55 0.46 0.34 0.00 0.00 0.00 175.76 176.11 3h77 s ASP 186 N -1.95 -0.04 0.00 0.00 -1.08 -0.28 -4.99 116.67 108.34 3h77 s ASP 186 Ca 0.01 -0.52 0.18 0.00 -0.52 0.00 0.00 52.55 51.70 3h77 s ASP 186 Cb -0.01 1.27 0.93 0.00 -1.46 0.00 0.00 42.92 43.65 3h77 s ASP 186 CO -0.04 -0.31 1.51 0.61 0.52 0.00 0.00 175.17 177.46 3h77 n GLY 187 N 5.09 -0.79 0.33 2.66 0.00 -1.25 -1.68 105.19 109.55 3h77 n GLY 187 Ca 0.04 -0.09 0.21 0.00 0.00 0.00 0.00 46.02 46.18 3h77 n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h77 h ASN 188 N 0.00 0.00 -0.63 1.61 2.35 -1.95 -2.15 115.58 114.80 3h77 h ASN 188 Ca 0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 3h77 h ASN 188 Cb 0.12 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.44 3h77 h ASN 188 CO 0.00 0.00 0.11 -1.22 -1.65 0.00 0.00 177.43 174.67 3h77 n TYR 189 N -3.18 2.22 -0.34 1.19 4.01 -0.75 -4.67 117.16 115.63 3h77 n TYR 189 Ca -0.03 -0.92 0.08 0.00 -0.16 0.00 0.00 57.90 56.87 3h77 n TYR 189 Cb 0.10 -0.58 0.25 0.00 -0.31 0.00 0.00 39.34 38.80 3h77 n TYR 189 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3h77 h PHE 190 N 3.44 1.05 -0.16 -0.72 3.57 -1.13 -2.31 116.94 120.68 3h77 h PHE 190 Ca 0.11 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3h77 h PHE 190 Cb 2.12 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 40.54 3h77 h PHE 190 CO 1.17 0.34 0.00 -0.25 -2.23 0.00 0.00 178.31 177.34 3h77 n ASP 191 N -4.71 1.23 -0.30 0.41 8.00 -1.26 -3.80 116.55 116.12 3h77 n ASP 191 Ca 0.19 -1.75 -0.02 0.00 0.71 0.00 0.00 54.79 53.92 3h77 n ASP 191 Cb 0.42 -0.11 0.10 0.00 -0.02 0.00 0.00 41.12 41.52 3h77 n ASP 191 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3h77 h LEU 192 N 1.53 0.89 -6.38 0.64 3.38 -1.75 -3.41 115.31 110.21 3h77 h LEU 192 Ca 0.00 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3h77 h LEU 192 Cb 0.34 -0.20 -0.29 0.00 0.09 0.00 0.00 40.66 40.60 3h77 h LEU 192 CO 0.00 0.61 -0.47 -0.22 0.09 0.00 0.00 178.44 178.45 3h77 s LEU 193 N -10.17 -0.75 0.07 1.67 2.96 -1.25 -0.65 118.68 110.56 3h77 s LEU 193 Ca -0.13 0.16 -0.06 0.00 -0.22 0.00 0.00 54.13 53.88 3h77 s LEU 193 Cb 0.17 1.23 -0.01 0.00 0.50 0.00 0.00 46.19 48.07 3h77 s LEU 193 CO 0.79 -0.31 0.12 0.00 -1.32 0.00 0.00 176.35 175.64 3h77 s MET 194 N 2.58 0.74 -0.24 1.98 0.23 -0.90 -4.63 119.30 119.06 3h77 s MET 194 Ca 0.13 -0.97 0.01 0.00 -1.03 0.00 0.00 55.69 53.83 3h77 s MET 194 Cb -0.15 0.29 0.06 0.00 -1.53 0.00 0.00 34.83 33.50 3h77 s MET 194 CO -0.19 -0.21 -0.08 0.99 -2.03 0.00 0.00 175.02 173.50 3h77 s THR 195 N -3.62 1.75 0.37 3.16 2.01 -1.26 -0.75 115.64 117.30 3h77 s THR 195 Ca 0.03 -1.31 0.14 0.00 0.31 0.00 0.00 61.69 60.87 3h77 s THR 195 Cb 0.04 -1.93 0.11 0.00 0.01 0.00 0.00 72.50 70.74 3h77 s THR 195 CO -0.09 -0.02 1.85 0.00 -0.69 0.00 0.00 174.62 175.66 3h77 h ALA 196 N 7.90 1.38 -2.50 7.40 0.00 -1.61 -3.46 119.26 128.38 3h77 h ALA 196 Ca -0.20 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.22 3h77 h ALA 196 Cb 1.07 -0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.63 3h77 h ALA 196 CO 0.44 0.43 -0.69 0.00 0.00 0.00 0.00 179.25 179.43 3h77 s ALA 197 N -4.19 0.53 0.65 0.00 0.00 0.00 -4.32 121.76 114.44 3h77 s ALA 197 Ca -0.03 -1.06 -0.14 0.00 0.00 0.00 0.00 51.96 50.73 3h77 s ALA 197 Cb 0.14 0.20 -0.00 0.00 0.00 0.00 0.00 23.12 23.45 3h77 s ALA 197 CO 0.71 -0.26 1.09 -1.25 0.00 0.00 0.00 175.76 176.05 3h77 s PRO 198 N -3.11 2.92 -0.20 0.00 0.04 -1.26 -4.26 135.00 129.12 3h77 s PRO 198 Ca 0.01 1.26 -0.36 0.00 0.04 0.00 0.00 61.00 61.95 3h77 s PRO 198 Cb 0.02 -1.97 0.15 0.00 0.04 0.00 0.00 34.50 32.73 3h77 s PRO 198 CO -0.06 -1.14 1.40 0.20 0.04 0.00 0.00 177.00 177.44 3h77 s GLY 199 N -2.86 -0.33 0.00 0.56 0.00 -0.92 -5.01 107.32 98.76 3h77 s GLY 199 Ca 0.64 1.49 0.29 0.00 0.00 0.00 0.00 44.72 47.14 3h77 s GLY 199 CO 0.43 0.43 2.05 -1.14 0.00 0.00 0.00 173.10 174.87 3h77 n SER 200 N -0.22 0.00 0.25 1.64 3.41 -1.26 -3.03 113.62 114.40 3h77 n SER 200 Ca -0.01 -0.57 0.14 0.00 -0.26 0.00 0.00 58.87 58.16 3h77 n SER 200 Cb 0.60 -0.13 0.53 0.00 -0.26 0.00 0.00 64.21 64.95 3h77 n SER 200 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h77 h ALA 201 N 3.63 1.00 -2.35 7.33 0.00 -1.93 -3.45 119.26 123.49 3h77 h ALA 201 Ca 0.00 -0.08 -0.50 0.00 0.00 0.00 0.00 54.91 54.32 3h77 h ALA 201 Cb 0.12 -0.01 0.06 0.00 0.00 0.00 0.00 17.79 17.95 3h77 h ALA 201 CO 0.00 0.11 0.33 -1.12 0.00 0.00 0.00 179.25 178.58 3h77 s SER 202 N -5.95 6.13 0.32 0.00 0.01 -1.17 -4.98 113.70 108.06 3h77 s SER 202 Ca 0.02 1.24 0.07 0.00 1.31 0.00 0.00 55.95 58.58 3h77 s SER 202 Cb 0.09 -2.33 0.74 0.00 0.21 0.00 0.00 66.02 64.74 3h77 s SER 202 CO 0.60 -0.86 1.81 -0.65 0.41 0.00 0.00 173.24 174.55 3h77 h PRO 203 N -0.22 0.75 -4.93 12.44 0.11 -1.89 -3.41 132.00 134.85 3h77 h PRO 203 Ca -0.45 -0.05 -0.33 0.00 0.11 0.00 0.00 66.00 65.29 3h77 h PRO 203 Cb 1.20 -0.17 -0.14 0.00 0.11 0.00 0.00 31.00 32.00 3h77 h PRO 203 CO 0.62 0.50 -0.66 0.95 -0.21 0.00 0.00 178.00 179.20 3h77 s THR 204 N -5.81 0.83 0.19 -1.15 -4.23 -1.26 -5.08 115.64 99.13 3h77 s THR 204 Ca -0.11 -2.01 -0.12 0.00 -1.18 0.00 0.00 61.69 58.27 3h77 s THR 204 Cb 0.24 -2.22 0.09 0.00 1.34 0.00 0.00 72.50 71.95 3h77 s THR 204 CO 0.80 -0.41 1.79 0.15 -0.54 0.00 0.00 174.62 176.41 3h77 h PHE 205 N 2.60 0.52 -3.48 3.99 3.57 -1.81 -3.10 116.94 119.22 3h77 h PHE 205 Ca -0.37 0.02 -0.68 0.00 3.53 0.00 0.00 57.97 60.47 3h77 h PHE 205 Cb 1.21 -0.15 -0.37 0.00 2.79 0.00 0.00 35.95 39.43 3h77 h PHE 205 CO 0.55 0.25 -0.42 -0.51 -2.23 0.00 0.00 178.31 175.95 3h77 s LEU 206 N -10.27 5.00 -0.21 0.59 1.43 -1.26 -2.17 118.68 111.80 3h77 s LEU 206 Ca -0.13 -2.99 -0.20 0.00 -1.03 0.00 0.00 54.13 49.78 3h77 s LEU 206 Cb 0.14 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 3h77 s LEU 206 CO 0.74 -0.31 0.58 -0.62 0.23 0.00 0.00 176.35 176.97 3h77 s ASP 207 N 0.30 6.61 0.28 2.29 -1.08 -1.17 -4.96 116.67 118.93 3h77 s ASP 207 Ca 0.18 0.74 -0.03 0.00 -0.52 0.00 0.00 52.55 52.92 3h77 s ASP 207 Cb -0.21 -2.32 0.38 0.00 -1.46 0.00 0.00 42.92 39.31 3h77 s ASP 207 CO -0.03 -0.25 1.92 -0.33 0.52 0.00 0.00 175.17 177.00 3h77 h GLU 208 N 7.55 1.11 -0.18 4.34 5.08 -1.97 -1.85 114.58 128.66 3h77 h GLU 208 Ca -0.32 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 57.91 3h77 h GLU 208 Cb 1.14 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 3h77 h GLU 208 CO 0.76 0.78 -0.05 -0.91 -1.00 0.00 0.00 179.01 178.59 3h77 h ASN 209 N 1.13 0.35 -0.66 1.42 2.35 -2.00 -1.65 115.58 116.52 3h77 h ASN 209 Ca 0.29 -0.37 0.05 0.00 -0.55 0.00 0.00 56.30 55.72 3h77 h ASN 209 Cb -0.04 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.18 3h77 h ASN 209 CO -0.05 0.64 0.38 0.58 -1.65 0.00 0.00 177.43 177.33 3h77 h VAL 210 N 0.06 1.01 0.00 2.81 2.07 -1.91 -2.08 116.25 118.21 3h77 h VAL 210 Ca 0.04 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 3h77 h VAL 210 Cb 0.49 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3h77 h VAL 210 CO 0.02 0.13 -0.31 -0.07 0.02 0.00 0.00 177.57 177.36 3h77 h LEU 211 N 0.72 0.00 0.12 2.57 3.38 -1.18 -0.57 115.31 120.35 3h77 h LEU 211 Ca 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 3h77 h LEU 211 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3h77 h LEU 211 CO -0.15 0.31 -0.06 -0.09 0.09 0.00 0.00 178.44 178.53 3h77 h ARG 212 N 0.00 -0.16 0.00 1.13 2.43 -0.56 -1.88 114.38 115.34 3h77 h ARG 212 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3h77 h ARG 212 Cb 0.78 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 3h77 h ARG 212 CO 0.04 0.25 0.00 0.39 -1.51 0.00 0.00 179.97 179.14 3h77 n GLU 213 N -4.86 0.00 -0.60 0.20 1.02 -1.23 -4.89 120.64 110.27 3h77 n GLU 213 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3h77 n GLU 213 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.66 3h77 n GLU 213 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h77 n GLY 214 N 0.00 0.68 0.27 0.62 0.00 -0.71 -4.93 105.19 101.13 3h77 n GLY 214 Ca 0.00 -0.15 0.18 0.00 0.00 0.00 0.00 46.02 46.05 3h77 n GLY 214 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h77 h GLY 215 N 0.00 0.00 0.09 -0.02 0.00 -1.25 -2.37 103.07 99.53 3h77 h GLY 215 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3h77 h GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3h77 n GLY 216 N -0.51 -0.41 3.91 4.60 0.00 -1.26 -0.82 105.19 110.71 3h77 n GLY 216 Ca -0.01 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 3h77 n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h77 s GLU 217 N -1.97 3.56 0.37 1.61 0.41 -0.89 -4.90 118.70 116.89 3h77 s GLU 217 Ca 0.39 -0.21 -0.27 0.00 -0.41 0.00 0.00 54.97 54.47 3h77 s GLU 217 Cb 0.20 -2.89 -0.11 0.00 -1.78 0.00 0.00 34.13 29.54 3h77 s GLU 217 CO 0.32 0.49 1.32 1.19 -0.49 0.00 0.00 175.26 178.09 3h77 n PHE 218 N 0.03 2.36 -3.93 1.61 3.72 -1.26 -4.46 117.46 115.53 3h77 n PHE 218 Ca -0.03 0.52 -0.29 0.00 -0.05 0.00 0.00 57.45 57.60 3h77 n PHE 218 Cb 0.52 -2.42 -0.16 0.00 -0.94 0.00 0.00 39.48 36.47 3h77 n PHE 218 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3h77 s LEU 219 N -1.43 1.75 -0.09 4.37 2.96 0.07 -4.89 118.68 121.41 3h77 s LEU 219 Ca 0.57 -0.67 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 3h77 s LEU 219 Cb -0.53 -1.01 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 3h77 s LEU 219 CO 0.61 -0.16 -0.07 -0.32 -1.32 0.00 0.00 176.35 175.09 3h77 s MET 220 N 1.57 2.95 -0.74 1.98 -2.45 -1.26 -2.11 119.30 119.23 3h77 s MET 220 Ca 0.01 -0.57 -0.12 0.00 -1.25 0.00 0.00 55.69 53.77 3h77 s MET 220 Cb -0.15 -2.63 0.19 0.00 1.25 0.00 0.00 34.83 33.49 3h77 s MET 220 CO -0.08 0.55 0.65 1.03 1.05 0.00 0.00 175.02 178.22 3h77 s ARG 221 N -0.49 3.28 0.07 4.11 0.52 0.17 -4.99 118.95 121.61 3h77 s ARG 221 Ca 0.07 -2.38 -0.22 0.00 -0.52 0.00 0.00 55.73 52.68 3h77 s ARG 221 Cb -0.12 -4.24 -0.13 0.00 0.52 0.00 0.00 34.95 30.97 3h77 s ARG 221 CO 0.02 -1.26 1.58 0.78 0.02 0.00 0.00 175.30 176.44 3h77 h GLY 222 N 7.75 0.15 0.85 -3.53 0.00 -1.97 -2.03 103.07 104.29 3h77 h GLY 222 Ca 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 3h77 h GLY 222 CO 0.77 0.08 0.04 -0.09 0.00 0.00 0.00 176.54 177.34 3h77 h ARG 223 N -0.03 0.14 -0.62 4.80 1.12 -1.98 0.31 114.38 118.12 3h77 h ARG 223 Ca 0.03 -0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 58.86 3h77 h ARG 223 Cb 0.20 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.10 3h77 h ARG 223 CO -0.00 0.27 0.32 -1.35 -3.11 0.00 0.00 179.97 176.10 3h77 h PRO 224 N -0.01 0.86 -0.36 0.20 0.11 -1.97 -2.28 132.00 128.54 3h77 h PRO 224 Ca 0.03 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 3h77 h PRO 224 Cb 0.18 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 3h77 h PRO 224 CO -0.00 0.64 0.12 1.98 -0.21 0.00 0.00 178.00 180.53 3h77 h MET 225 N 0.86 0.55 -0.36 1.05 4.05 -1.06 -1.40 114.93 118.63 3h77 h MET 225 Ca 0.22 -0.12 0.06 0.00 -0.28 0.00 0.00 59.70 59.58 3h77 h MET 225 Cb 0.05 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.72 3h77 h MET 225 CO -0.03 0.57 0.06 0.35 0.23 0.00 0.00 176.91 178.08 3h77 h PHE 226 N 0.42 0.09 -0.28 1.39 3.57 -0.61 0.11 116.94 121.63 3h77 h PHE 226 Ca 0.12 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 3h77 h PHE 226 Cb 0.24 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3h77 h PHE 226 CO 0.01 -0.00 0.10 0.93 -2.23 0.00 0.00 178.31 177.11 3h77 h GLU 227 N 0.17 0.42 -0.32 1.11 4.39 -1.28 -0.72 114.58 118.36 3h77 h GLU 227 Ca 0.17 -0.08 -0.13 0.00 0.34 0.00 0.00 59.36 59.66 3h77 h GLU 227 Cb 0.21 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3h77 h GLU 227 CO -0.24 0.46 -0.29 1.25 -1.16 0.00 0.00 179.01 179.03 3h77 h HIS 228 N 0.29 0.91 0.14 4.33 2.76 -1.01 -2.24 115.15 120.33 3h77 h HIS 228 Ca 0.09 -0.27 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 3h77 h HIS 228 Cb 0.21 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 3h77 h HIS 228 CO -0.00 1.03 -0.11 0.00 -1.30 0.00 0.00 177.93 177.55 3h77 h ALA 229 N 0.73 -0.24 -0.53 5.26 0.00 -0.69 -0.68 119.26 123.10 3h77 h ALA 229 Ca 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3h77 h ALA 229 Cb 0.86 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3h77 h ALA 229 CO 0.07 -0.65 0.16 0.66 0.00 0.00 0.00 179.25 179.50 3h77 h SER 230 N -0.26 0.78 -0.66 0.00 4.64 -1.11 -0.26 113.55 116.68 3h77 h SER 230 Ca -0.00 -0.21 -0.06 0.00 -0.47 0.00 0.00 61.79 61.05 3h77 h SER 230 Cb 0.24 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 3h77 h SER 230 CO -0.01 0.79 0.19 1.56 -0.87 0.00 0.00 176.83 178.48 3h77 h GLN 231 N 0.74 1.04 -0.04 4.77 4.20 -1.34 -1.57 115.11 122.91 3h77 h GLN 231 Ca 0.17 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3h77 h GLN 231 Cb 0.29 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 3h77 h GLN 231 CO -0.00 0.91 0.00 1.15 -0.67 0.00 0.00 178.83 180.22 3h77 h THR 232 N 0.96 1.24 -0.45 -0.54 2.02 -0.88 -1.64 112.91 113.62 3h77 h THR 232 Ca 0.21 -0.74 0.02 0.00 0.77 0.00 0.00 66.41 66.67 3h77 h THR 232 Cb 0.32 1.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 3h77 h THR 232 CO -0.00 0.20 0.27 -0.07 0.37 0.00 0.00 175.52 176.29 3h77 h LEU 233 N -0.22 0.44 -0.49 2.58 3.38 -0.90 -0.21 115.31 119.90 3h77 h LEU 233 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3h77 h LEU 233 Cb 0.32 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3h77 h LEU 233 CO 0.00 0.32 0.21 0.58 0.09 0.00 0.00 178.44 179.64 3h77 h VAL 234 N 0.55 1.20 0.13 1.22 2.07 -1.29 -2.16 116.25 117.97 3h77 h VAL 234 Ca 0.18 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 3h77 h VAL 234 Cb 0.01 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3h77 h VAL 234 CO -0.08 0.23 -0.06 -0.09 0.02 0.00 0.00 177.57 177.59 3h77 h ARG 235 N 0.65 -0.17 0.00 1.57 2.43 -0.80 -2.30 114.38 115.77 3h77 h ARG 235 Ca 0.17 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.26 3h77 h ARG 235 Cb 0.17 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3h77 h ARG 235 CO -0.02 -0.06 -0.43 -0.84 -1.51 0.00 0.00 179.97 177.12 3h77 h ILE 236 N -0.24 1.05 -0.33 1.20 3.07 -1.01 -1.23 117.51 120.03 3h77 h ILE 236 Ca -0.02 -1.64 -0.02 0.00 1.55 0.00 0.00 64.86 64.74 3h77 h ILE 236 Cb 0.19 1.95 -0.01 0.00 -0.27 0.00 0.00 36.82 38.68 3h77 h ILE 236 CO 0.03 0.42 0.15 0.00 -1.05 0.00 0.00 178.15 177.70 3h77 h ALA 237 N 1.57 0.43 -0.48 0.16 0.00 -1.31 -1.05 119.26 118.58 3h77 h ALA 237 Ca -0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3h77 h ALA 237 Cb 0.92 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3h77 h ALA 237 CO 0.06 0.01 0.17 0.78 0.00 0.00 0.00 179.25 180.26 3h77 h GLY 238 N 0.39 0.79 1.00 0.00 0.00 -0.89 -1.44 103.07 102.92 3h77 h GLY 238 Ca 0.11 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3h77 h GLY 238 CO -0.01 0.42 0.41 0.83 0.00 0.00 0.00 176.54 178.19 3h77 h GLU 239 N 0.64 0.82 -0.27 4.80 5.08 -1.14 0.18 114.58 124.68 3h77 h GLU 239 Ca 0.16 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3h77 h GLU 239 Cb 0.24 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3h77 h GLU 239 CO -0.01 0.55 0.14 1.98 -1.00 0.00 0.00 179.01 180.68 3h77 h MET 240 N 0.84 0.39 -0.36 2.33 4.05 -0.97 -0.95 114.93 120.27 3h77 h MET 240 Ca 0.23 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.58 3h77 h MET 240 Cb -0.09 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.63 3h77 h MET 240 CO -0.05 0.36 0.15 -0.07 0.23 0.00 0.00 176.91 177.52 3h77 h LEU 241 N 0.32 0.49 -1.15 3.39 4.07 -0.86 -2.87 115.31 118.69 3h77 h LEU 241 Ca 0.10 -0.16 0.01 0.00 0.08 0.00 0.00 57.88 57.91 3h77 h LEU 241 Cb 0.09 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 41.66 3h77 h LEU 241 CO -0.01 0.51 0.57 0.00 -1.08 0.00 0.00 178.44 178.43 3h77 h ALA 242 N 0.99 1.38 0.00 1.53 0.00 -0.54 -1.05 119.26 121.58 3h77 h ALA 242 Ca 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3h77 h ALA 242 Cb 0.17 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3h77 h ALA 242 CO -0.01 0.57 -0.03 0.00 0.00 0.00 0.00 179.25 179.78 3h77 h ALA 243 N 1.46 1.78 -0.27 0.00 0.00 -0.95 -2.64 119.26 118.64 3h77 h ALA 243 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3h77 h ALA 243 Cb -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3h77 h ALA 243 CO -0.07 0.04 0.00 0.72 0.00 0.00 0.00 179.25 179.94 3h77 n HIS 244 N -4.26 0.37 -3.82 0.00 -0.00 -0.92 -4.98 115.22 101.60 3h77 n HIS 244 Ca -0.03 -0.51 -0.25 0.00 -0.00 0.00 0.00 57.72 56.94 3h77 n HIS 244 Cb 0.12 -0.04 0.02 0.00 -0.00 0.00 0.00 29.99 30.09 3h77 n HIS 244 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3h77 n GLU 245 N 0.27 -4.60 -4.28 -0.41 1.02 -0.77 -4.97 120.64 106.91 3h77 n GLU 245 Ca 0.09 0.56 -0.33 0.00 -0.02 0.00 0.00 57.16 57.46 3h77 n GLU 245 Cb 0.40 -5.09 -0.09 0.00 -0.02 0.00 0.00 31.44 26.64 3h77 n GLU 245 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3h77 s LEU 246 N -6.89 3.53 0.40 -4.62 1.43 -0.47 -5.04 118.68 107.00 3h77 s LEU 246 Ca 0.17 -0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 3h77 s LEU 246 Cb -0.09 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 3h77 s LEU 246 CO 0.84 0.28 0.59 0.28 0.23 0.00 0.00 176.35 178.57 3h77 s THR 247 N -1.09 4.32 0.30 5.49 -1.32 -1.26 -4.52 115.64 117.55 3h77 s THR 247 Ca 0.20 -0.60 0.05 0.00 -1.21 0.00 0.00 61.69 60.12 3h77 s THR 247 Cb -0.12 -3.57 0.31 0.00 -1.51 0.00 0.00 72.50 67.61 3h77 s THR 247 CO 0.10 -0.35 1.67 -0.07 -2.21 0.00 0.00 174.62 173.76 3h77 h LEU 248 N 0.60 0.23 -2.48 9.08 3.38 -1.96 0.43 115.31 124.59 3h77 h LEU 248 Ca -0.47 0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3h77 h LEU 248 Cb 1.24 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.18 3h77 h LEU 248 CO 0.57 -0.09 0.00 0.44 0.09 0.00 0.00 178.44 179.46 3h77 h ASP 249 N 0.31 0.00 1.21 -0.43 3.32 -1.95 -2.33 116.42 116.55 3h77 h ASP 249 Ca 0.59 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.64 3h77 h ASP 249 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3h77 h ASP 249 CO -0.60 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.39 3h77 n ASP 250 N -3.05 0.47 -4.73 6.45 8.00 0.14 -4.76 116.55 119.06 3h77 n ASP 250 Ca -0.02 0.55 -0.36 0.00 0.71 0.00 0.00 54.79 55.67 3h77 n ASP 250 Cb 0.14 -0.67 -0.07 0.00 -0.02 0.00 0.00 41.12 40.50 3h77 n ASP 250 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h77 s ILE 251 N -3.07 5.30 -0.19 0.53 -1.09 -0.88 -4.57 121.20 117.23 3h77 s ILE 251 Ca 0.11 0.55 0.15 0.00 -2.23 0.00 0.00 60.65 59.23 3h77 s ILE 251 Cb 0.14 -3.63 -0.22 0.00 -1.58 0.00 0.00 42.46 37.18 3h77 s ILE 251 CO 0.54 0.40 0.03 0.47 -1.23 0.00 0.00 174.94 175.16 3h77 n ASP 252 N 3.49 0.69 -3.89 3.58 8.00 -0.34 -4.99 116.55 123.09 3h77 n ASP 252 Ca -0.12 -0.01 -0.11 0.00 0.71 0.00 0.00 54.79 55.25 3h77 n ASP 252 Cb 0.52 0.80 -0.13 0.00 -0.02 0.00 0.00 41.12 42.29 3h77 n ASP 252 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3h77 s HIS 253 N -2.44 0.05 -0.12 1.24 3.76 -1.05 -4.75 115.29 111.97 3h77 s HIS 253 Ca -0.11 -0.09 0.02 0.00 -0.15 0.00 0.00 55.06 54.72 3h77 s HIS 253 Cb 0.06 -0.04 0.02 0.00 1.11 0.00 0.00 32.58 33.72 3h77 s HIS 253 CO 0.72 -0.05 -0.16 0.08 -0.85 0.00 0.00 174.74 174.48 3h77 s VAL 254 N -0.35 1.57 -0.32 -0.90 1.01 0.05 -1.04 120.40 120.42 3h77 s VAL 254 Ca -0.04 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 3h77 s VAL 254 Cb -0.02 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.95 3h77 s VAL 254 CO -0.00 0.46 0.08 -0.63 0.00 0.00 0.00 175.10 175.01 3h77 s ILE 255 N 1.07 3.70 0.07 2.22 -1.09 -0.17 -2.04 121.20 124.96 3h77 s ILE 255 Ca -0.04 -1.08 0.06 0.00 -2.23 0.00 0.00 60.65 57.36 3h77 s ILE 255 Cb -0.15 -3.06 -0.03 0.00 -1.58 0.00 0.00 42.46 37.65 3h77 s ILE 255 CO -0.03 -0.12 -0.16 0.00 -1.23 0.00 0.00 174.94 173.40 3h77 n HIS 257 N 1.41 1.11 -2.91 0.00 -0.00 -0.19 -4.93 115.22 109.72 3h77 n HIS 257 Ca -0.20 0.83 -0.13 0.00 0.46 0.00 0.00 57.72 58.68 3h77 n HIS 257 Cb 0.54 -2.22 0.03 0.00 -0.12 0.00 0.00 29.99 28.21 3h77 n HIS 257 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3h77 n GLN 258 N 2.07 0.88 0.27 1.57 10.64 -1.26 -4.40 117.38 127.15 3h77 n GLN 258 Ca 0.19 -2.40 0.15 0.00 -1.83 0.00 0.00 57.00 53.12 3h77 n GLN 258 Cb 0.14 -1.33 0.69 0.00 -0.86 0.00 0.00 30.24 28.88 3h77 n GLN 258 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 3h77 h PRO 259 N 3.47 0.00 -3.85 2.61 0.13 -1.95 -3.43 132.00 128.99 3h77 h PRO 259 Ca -0.04 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.99 3h77 h PRO 259 Cb 1.01 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.04 3h77 h PRO 259 CO 0.32 0.08 -0.23 0.54 -0.23 0.00 0.00 178.00 178.48 3h77 s ASN 260 N -5.85 -0.04 0.37 1.44 2.20 -1.26 -4.55 114.94 107.26 3h77 s ASN 260 Ca -0.00 -1.00 0.19 0.00 -0.94 0.00 0.00 52.86 51.11 3h77 s ASN 260 Cb 0.10 0.53 0.62 0.00 -2.00 0.00 0.00 41.25 40.50 3h77 s ASN 260 CO 0.56 -1.06 1.70 0.25 -2.94 0.00 0.00 177.10 175.61 3h77 h LEU 261 N 2.35 0.00 -0.60 3.54 5.85 -0.68 -3.21 115.31 122.56 3h77 h LEU 261 Ca -0.29 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 3h77 h LEU 261 Cb 1.25 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 3h77 h LEU 261 CO 0.40 0.36 0.21 0.03 -0.34 0.00 0.00 178.44 179.10 3h77 h ARG 262 N 0.00 0.92 -0.30 1.25 3.08 -1.84 0.06 114.38 117.55 3h77 h ARG 262 Ca -0.00 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 59.80 3h77 h ARG 262 Cb 0.96 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 3h77 h ARG 262 CO 0.05 0.81 -0.05 0.82 -1.07 0.00 0.00 179.97 180.53 3h77 h ILE 263 N 0.85 1.27 -0.45 2.04 2.04 -1.93 0.07 117.51 121.40 3h77 h ILE 263 Ca 0.20 -1.06 0.05 0.00 1.00 0.00 0.00 64.86 65.05 3h77 h ILE 263 Cb 0.26 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 3h77 h ILE 263 CO -0.01 0.34 0.18 0.25 0.00 0.00 0.00 178.15 178.91 3h77 h LEU 264 N 0.34 0.22 -0.83 1.44 5.85 -1.57 -1.18 115.31 119.58 3h77 h LEU 264 Ca 0.08 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 3h77 h LEU 264 Cb 0.52 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 3h77 h LEU 264 CO 0.03 0.16 0.24 0.44 -0.34 0.00 0.00 178.44 178.96 3h77 h ASP 265 N 0.37 1.03 -0.73 1.25 3.45 -0.65 -1.72 116.42 119.43 3h77 h ASP 265 Ca 0.21 -0.18 -0.02 0.00 0.43 0.00 0.00 57.03 57.46 3h77 h ASP 265 Cb 0.18 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 38.65 3h77 h ASP 265 CO -0.19 0.95 0.36 0.00 -1.57 0.00 0.00 179.24 178.79 3h77 h ALA 266 N 1.18 0.94 -0.20 3.45 0.00 -0.39 -1.04 119.26 123.20 3h77 h ALA 266 Ca 0.24 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3h77 h ALA 266 Cb 0.28 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3h77 h ALA 266 CO -0.01 0.49 -0.14 0.28 0.00 0.00 0.00 179.25 179.87 3h77 h VAL 267 N 1.01 1.32 -0.34 0.00 2.07 -1.03 -1.73 116.25 117.55 3h77 h VAL 267 Ca 0.25 -1.25 0.06 0.00 0.82 0.00 0.00 66.70 66.58 3h77 h VAL 267 Cb 0.10 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 3h77 h VAL 267 CO -0.03 0.38 0.02 -0.61 0.02 0.00 0.00 177.57 177.34 3h77 h GLN 268 N 0.12 0.12 -0.48 1.57 -0.00 -1.17 -0.79 115.11 114.48 3h77 h GLN 268 Ca 0.04 -0.01 -0.13 0.00 -0.00 0.00 0.00 58.65 58.56 3h77 h GLN 268 Cb 0.65 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.09 3h77 h GLN 268 CO 0.04 0.08 -0.19 1.49 0.00 0.00 0.00 178.83 180.24 3h77 h GLU 269 N 0.12 0.97 -0.09 1.69 4.57 -1.16 -1.16 114.58 119.53 3h77 h GLU 269 Ca 0.17 -0.41 -0.13 0.00 -1.18 0.00 0.00 59.36 57.81 3h77 h GLU 269 Cb 0.22 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 3h77 h GLU 269 CO -0.26 1.08 -0.52 1.96 -1.18 0.00 0.00 179.01 180.08 3h77 h GLN 270 N 0.83 0.24 0.00 1.92 4.20 -1.09 -3.16 115.11 118.05 3h77 h GLN 270 Ca 0.11 -0.14 -0.17 0.00 0.06 0.00 0.00 58.65 58.51 3h77 h GLN 270 Cb 0.76 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 3h77 h GLN 270 CO 0.06 0.71 -0.98 -0.07 -0.67 0.00 0.00 178.83 177.88 3h77 h LEU 271 N 0.19 0.00 0.82 1.46 3.38 -1.05 -3.48 115.31 116.62 3h77 h LEU 271 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3h77 h LEU 271 Cb 0.99 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3h77 h LEU 271 CO 0.08 0.71 -0.15 0.61 0.09 0.00 0.00 178.44 179.77 3h77 n GLY 272 N 1.33 0.20 3.76 0.83 0.00 -0.45 -5.00 105.19 105.86 3h77 n GLY 272 Ca -0.03 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 3h77 n GLY 272 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h77 s ILE 273 N -2.30 5.09 0.24 -0.61 1.01 -1.23 -5.01 121.20 118.39 3h77 s ILE 273 Ca 0.00 0.98 -0.31 0.00 0.00 0.00 0.00 60.65 61.32 3h77 s ILE 273 Cb 0.00 -3.81 -0.14 0.00 0.01 0.00 0.00 42.46 38.52 3h77 s ILE 273 CO 0.00 0.41 1.22 -2.65 0.00 0.00 0.00 174.94 173.92 3h77 n PRO 274 N 3.00 1.60 -0.15 2.79 -0.02 -1.26 -4.80 135.00 136.17 3h77 n PRO 274 Ca -0.09 0.57 0.18 0.00 -2.02 0.00 0.00 63.50 62.14 3h77 n PRO 274 Cb 0.52 -2.09 0.56 0.00 -0.02 0.00 0.00 33.50 32.46 3h77 n PRO 274 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3h77 h GLN 275 N 3.21 0.29 0.00 -0.52 4.15 -1.96 -1.98 115.11 118.31 3h77 h GLN 275 Ca -0.43 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.97 3h77 h GLN 275 Cb 1.31 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.94 3h77 h GLN 275 CO 0.69 0.19 0.00 1.12 -1.93 0.00 0.00 178.83 178.90 3h77 h HIS 276 N 0.30 0.00 0.00 3.99 2.07 -2.01 -1.70 115.15 117.80 3h77 h HIS 276 Ca 0.37 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.89 3h77 h HIS 276 Cb 1.01 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.99 3h77 h HIS 276 CO -0.00 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 176.49 3h77 n LYS 277 N -2.73 0.22 -2.96 5.12 5.02 -0.74 -4.74 118.16 117.35 3h77 n LYS 277 Ca -0.00 0.19 -0.42 0.00 -2.02 0.00 0.00 58.31 56.06 3h77 n LYS 277 Cb 0.18 -1.76 -0.05 0.00 -0.02 0.00 0.00 35.03 33.38 3h77 n LYS 277 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3h77 s PHE 278 N -3.09 3.25 0.02 2.13 0.08 -0.64 -0.77 117.98 118.95 3h77 s PHE 278 Ca 0.11 0.90 -0.30 0.00 0.12 0.00 0.00 56.93 57.76 3h77 s PHE 278 Cb 0.13 -3.11 -0.05 0.00 -0.57 0.00 0.00 43.02 39.43 3h77 s PHE 278 CO 0.58 -0.48 1.16 0.00 -0.10 0.00 0.00 175.22 176.38 3h77 s ALA 279 N 2.85 3.38 -0.11 5.36 0.00 -0.87 -4.98 121.76 127.39 3h77 s ALA 279 Ca 0.32 0.73 0.02 0.00 0.00 0.00 0.00 51.96 53.04 3h77 s ALA 279 Cb -0.15 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 3h77 s ALA 279 CO 0.10 -0.48 -0.20 0.08 0.00 0.00 0.00 175.76 175.26 3h77 s VAL 280 N 1.35 2.45 0.00 0.00 1.01 -1.26 -4.65 120.40 119.30 3h77 s VAL 280 Ca 0.57 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3h77 s VAL 280 Cb -0.27 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.14 3h77 s VAL 280 CO 0.27 0.55 0.00 0.35 0.00 0.00 0.00 175.10 176.27 3h77 n THR 281 N 3.49 0.00 0.24 3.92 -2.24 -1.26 -4.89 114.28 113.54 3h77 n THR 281 Ca -0.19 -0.10 0.07 0.00 -2.27 0.00 0.00 64.05 61.57 3h77 n THR 281 Cb 0.53 0.55 0.57 0.00 -2.10 0.00 0.00 70.33 69.87 3h77 n THR 281 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3h77 h VAL 282 N 0.00 1.04 -0.39 2.28 3.04 -1.83 0.47 116.25 120.87 3h77 h VAL 282 Ca 0.00 -0.44 -0.02 0.00 -1.01 0.00 0.00 66.70 65.23 3h77 h VAL 282 Cb 0.00 1.24 -0.02 0.00 -2.01 0.00 0.00 31.29 30.50 3h77 h VAL 282 CO 0.00 0.12 0.13 -2.24 -1.01 0.00 0.00 177.57 174.58 3h77 h ASP 283 N 0.00 0.50 0.00 3.17 2.03 -1.89 -0.95 116.42 119.28 3h77 h ASP 283 Ca -0.00 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.24 3h77 h ASP 283 Cb 0.23 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 3h77 h ASP 283 CO 0.02 0.47 -1.68 -2.11 -1.03 0.00 0.00 179.24 174.91 3h77 n ARG 284 N -4.37 0.47 -0.00 4.15 1.85 -0.72 -0.22 116.66 117.82 3h77 n ARG 284 Ca 0.02 -0.14 0.04 0.00 -1.00 0.00 0.00 57.85 56.78 3h77 n ARG 284 Cb 0.16 -1.36 -0.06 0.00 -1.05 0.00 0.00 32.46 30.16 3h77 n ARG 284 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3h77 n LEU 285 N -2.02 0.32 0.00 2.89 4.32 0.08 -3.70 117.00 118.89 3h77 n LEU 285 Ca -0.03 -0.38 0.00 0.00 -0.02 0.00 0.00 56.01 55.58 3h77 n LEU 285 Cb 0.39 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 3h77 n LEU 285 CO 0.32 0.08 0.00 0.61 -1.22 0.00 0.00 177.39 177.18 3h77 n GLY 286 N 1.39 -0.37 3.50 -0.72 0.00 -0.36 -4.30 105.19 104.33 3h77 n GLY 286 Ca 0.01 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 3h77 n GLY 286 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3h77 s ASN 287 N -4.00 6.19 -0.39 1.61 3.84 0.21 -4.53 114.94 117.87 3h77 s ASN 287 Ca 0.00 -0.58 0.06 0.00 0.21 0.00 0.00 52.86 52.55 3h77 s ASN 287 Cb 0.00 -2.22 0.62 0.00 -0.55 0.00 0.00 41.25 39.10 3h77 s ASN 287 CO 0.00 -0.53 1.76 0.23 -2.79 0.00 0.00 177.10 175.77 3h77 n MET 288 N 5.55 2.17 0.00 0.43 2.81 -1.26 -0.30 117.12 126.52 3h77 n MET 288 Ca -0.08 -3.08 0.00 0.00 -1.81 0.00 0.00 57.70 52.74 3h77 n MET 288 Cb 0.48 -2.06 0.00 0.00 -0.71 0.00 0.00 33.22 30.93 3h77 n MET 288 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3h77 n ALA 289 N -1.10 0.00 0.31 3.04 0.00 -1.26 -1.38 120.51 120.12 3h77 n ALA 289 Ca 0.50 0.00 0.20 0.00 0.00 0.00 0.00 53.44 54.14 3h77 n ALA 289 Cb 1.44 0.00 0.95 0.00 0.00 0.00 0.00 19.45 21.84 3h77 n ALA 289 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h77 h SER 290 N 0.00 0.00 1.31 0.00 4.64 -1.92 -2.63 113.55 114.94 3h77 h SER 290 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3h77 h SER 290 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3h77 h SER 290 CO 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 176.83 175.83 3h77 h ALA 291 N 2.00 0.97 -0.26 5.18 0.00 -1.44 -3.36 119.26 122.34 3h77 h ALA 291 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3h77 h ALA 291 Cb 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3h77 h ALA 291 CO 0.00 0.16 0.15 0.77 0.00 0.00 0.00 179.25 180.33 3h77 h SER 292 N 0.00 0.23 0.55 0.00 0.02 -1.55 -0.23 113.55 112.58 3h77 h SER 292 Ca -0.00 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3h77 h SER 292 Cb 0.82 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.32 3h77 h SER 292 CO 0.02 0.17 -0.27 0.74 -1.14 0.00 0.00 176.83 176.35 3h77 h THR 293 N 0.30 0.43 -0.40 -2.27 2.02 -1.78 -1.12 112.91 110.09 3h77 h THR 293 Ca 0.11 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 3h77 h THR 293 Cb 0.01 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 3h77 h THR 293 CO -0.06 0.02 -0.05 1.55 0.37 0.00 0.00 175.52 177.36 3h77 h PRO 294 N -0.84 0.66 -0.43 6.66 0.13 -1.75 -0.66 132.00 135.78 3h77 h PRO 294 Ca -0.08 -0.18 -0.09 0.00 -0.87 0.00 0.00 66.00 64.79 3h77 h PRO 294 Cb 0.61 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.64 3h77 h PRO 294 CO 0.12 0.71 -0.09 -0.39 -0.23 0.00 0.00 178.00 178.13 3h77 h VAL 295 N 0.62 1.25 -0.58 1.56 -1.51 -1.00 -0.70 116.25 115.89 3h77 h VAL 295 Ca 0.12 -1.13 -0.04 0.00 -1.23 0.00 0.00 66.70 64.42 3h77 h VAL 295 Cb 0.46 1.02 -0.02 0.00 -2.13 0.00 0.00 31.29 30.62 3h77 h VAL 295 CO 0.02 0.39 0.19 0.74 -1.23 0.00 0.00 177.57 177.68 3h77 h THR 296 N 0.69 1.24 -0.59 7.19 2.02 -0.94 -0.21 112.91 122.32 3h77 h THR 296 Ca 0.12 -0.80 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 3h77 h THR 296 Cb 0.56 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 3h77 h THR 296 CO 0.03 0.30 0.26 0.25 0.37 0.00 0.00 175.52 176.74 3h77 h LEU 297 N 0.82 0.78 -0.52 2.58 5.85 -0.99 -1.21 115.31 122.62 3h77 h LEU 297 Ca 0.19 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 3h77 h LEU 297 Cb 0.27 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3h77 h LEU 297 CO -0.01 0.72 -0.04 0.00 -0.34 0.00 0.00 178.44 178.76 3h77 h ALA 298 N 1.10 0.71 -0.57 1.25 0.00 -0.79 -0.32 119.26 120.65 3h77 h ALA 298 Ca 0.20 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3h77 h ALA 298 Cb 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3h77 h ALA 298 CO -0.02 0.57 0.00 0.52 0.00 0.00 0.00 179.25 180.32 3h77 h MET 299 N 0.83 0.98 -0.00 0.00 2.86 -0.79 -3.14 114.93 115.67 3h77 h MET 299 Ca 0.14 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3h77 h MET 299 Cb 0.59 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3h77 h MET 299 CO 0.04 0.97 -0.45 1.19 1.06 0.00 0.00 176.91 179.71 3h77 n PHE 300 N -4.19 0.00 -0.21 -0.22 3.72 -0.48 -4.43 117.46 111.65 3h77 n PHE 300 Ca 0.03 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.45 3h77 n PHE 300 Cb 0.33 -0.27 0.11 0.00 -0.94 0.00 0.00 39.48 38.72 3h77 n PHE 300 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 176.76 179.06 3h77 h TRP 301 N 0.04 0.05 -0.28 1.38 2.91 -1.00 0.61 115.95 119.66 3h77 h TRP 301 Ca 0.00 0.04 0.08 0.00 1.13 0.00 0.00 58.89 60.14 3h77 h TRP 301 Cb 0.50 0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.21 3h77 h TRP 301 CO 0.00 -0.13 0.24 -1.35 -1.03 0.00 0.00 178.44 176.17 3h77 h PRO 302 N 0.16 0.00 0.00 2.65 0.11 -1.80 -0.83 132.00 132.29 3h77 h PRO 302 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 3h77 h PRO 302 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 3h77 h PRO 302 CO -0.50 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.04 3h77 n ASP 303 N -4.15 0.52 -4.59 -2.05 8.00 0.20 -4.74 116.55 109.73 3h77 n ASP 303 Ca 0.04 0.55 -0.41 0.00 0.71 0.00 0.00 54.79 55.68 3h77 n ASP 303 Cb 0.39 -0.69 -0.07 0.00 -0.02 0.00 0.00 41.12 40.73 3h77 n ASP 303 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h77 s ILE 304 N -3.07 4.97 0.39 0.53 1.01 -0.32 -5.04 121.20 119.68 3h77 s ILE 304 Ca 0.12 0.73 -0.08 0.00 0.00 0.00 0.00 60.65 61.41 3h77 s ILE 304 Cb 0.15 -3.97 -0.06 0.00 0.01 0.00 0.00 42.46 38.59 3h77 s ILE 304 CO 0.57 -0.13 0.72 -1.10 0.00 0.00 0.00 174.94 175.00 3h77 s GLN 305 N 2.52 3.69 0.20 2.79 -1.52 -1.26 -5.00 119.66 121.09 3h77 s GLN 305 Ca 0.23 0.30 -0.32 0.00 -1.95 0.00 0.00 55.36 53.61 3h77 s GLN 305 Cb -0.15 -2.45 -0.14 0.00 -0.22 0.00 0.00 33.01 30.05 3h77 s GLN 305 CO 0.12 -0.01 1.44 -2.30 -0.25 0.00 0.00 175.29 174.29 3h77 n PRO 306 N -1.41 1.95 0.00 2.91 -0.02 -1.26 -1.89 135.00 135.28 3h77 n PRO 306 Ca 0.01 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3h77 n PRO 306 Cb 0.54 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3h77 n PRO 306 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h77 n GLY 307 N 2.55 1.98 3.80 -1.23 0.00 0.21 -4.96 105.19 107.54 3h77 n GLY 307 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3h77 n GLY 307 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h77 s GLN 308 N -0.70 4.14 -0.20 1.61 -0.21 -0.79 -4.78 119.66 118.73 3h77 s GLN 308 Ca 0.00 1.30 -0.10 0.00 0.02 0.00 0.00 55.36 56.58 3h77 s GLN 308 Cb 0.00 -2.32 -0.05 0.00 1.00 0.00 0.00 33.01 31.65 3h77 s GLN 308 CO 0.00 -0.13 0.12 1.03 -2.12 0.00 0.00 175.29 174.19 3h77 s ARG 309 N -2.90 4.15 -0.10 2.91 0.52 -1.26 -2.93 118.95 119.35 3h77 s ARG 309 Ca 0.61 -0.23 0.02 0.00 -0.52 0.00 0.00 55.73 55.61 3h77 s ARG 309 Cb -0.15 -3.39 -0.01 0.00 0.52 0.00 0.00 34.95 31.91 3h77 s ARG 309 CO 0.20 0.30 -0.17 0.08 0.02 0.00 0.00 175.30 175.73 3h77 s VAL 310 N 0.34 2.74 -0.22 3.52 1.01 0.75 -1.20 120.40 127.35 3h77 s VAL 310 Ca 0.07 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 3h77 s VAL 310 Cb -0.11 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 3h77 s VAL 310 CO -0.02 0.55 0.04 -0.22 0.00 0.00 0.00 175.10 175.45 3h77 s LEU 311 N 0.04 3.41 -0.15 3.92 2.96 -0.20 -0.83 118.68 127.82 3h77 s LEU 311 Ca -0.06 -0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.66 3h77 s LEU 311 Cb -0.15 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 3h77 s LEU 311 CO 0.05 0.04 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.36 3h77 s VAL 312 N 1.16 3.58 -0.11 1.68 1.01 0.27 -1.00 120.40 126.98 3h77 s VAL 312 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.55 3h77 s VAL 312 Cb -0.14 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.70 3h77 s VAL 312 CO 0.02 0.50 -0.10 -0.76 0.00 0.00 0.00 175.10 174.76 3h77 s LEU 313 N 0.46 1.36 0.18 3.92 1.43 -0.13 -0.66 118.68 125.23 3h77 s LEU 313 Ca -0.05 -0.33 0.09 0.00 -1.03 0.00 0.00 54.13 52.81 3h77 s LEU 313 Cb -0.15 -0.89 -0.04 0.00 0.03 0.00 0.00 46.19 45.14 3h77 s LEU 313 CO 0.03 -0.08 -0.20 0.28 0.23 0.00 0.00 176.35 176.62 3h77 s THR 314 N 1.46 1.99 -0.05 5.49 -1.32 -0.21 -1.02 115.64 121.98 3h77 s THR 314 Ca 0.01 -1.98 -0.15 0.00 -1.21 0.00 0.00 61.69 58.36 3h77 s THR 314 Cb -0.13 -1.95 0.03 0.00 -1.51 0.00 0.00 72.50 68.94 3h77 s THR 314 CO -0.06 -0.27 0.35 -0.47 -2.21 0.00 0.00 174.62 171.96 3h77 s TYR 315 N -1.99 -0.28 0.22 9.09 5.04 -1.26 -1.79 117.35 126.38 3h77 s TYR 315 Ca 0.18 0.54 -0.10 0.00 -2.44 0.00 0.00 57.07 55.25 3h77 s TYR 315 Cb -0.06 0.13 -0.01 0.00 0.35 0.00 0.00 41.96 42.37 3h77 s TYR 315 CO 0.08 -0.35 0.37 0.20 -1.34 0.00 0.00 175.55 174.51 3h77 s GLY 316 N -0.87 0.67 0.86 8.97 0.00 0.17 -4.17 107.32 112.95 3h77 s GLY 316 Ca -0.09 -1.01 -0.13 0.00 0.00 0.00 0.00 44.72 43.49 3h77 s GLY 316 CO 0.04 -0.81 0.97 -1.14 0.00 0.00 0.00 173.10 172.16 3h77 n SER 317 N -0.32 0.04 0.00 1.64 3.41 -1.26 -1.75 113.62 115.37 3h77 n SER 317 Ca -0.02 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 3h77 n SER 317 Cb 0.63 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 3h77 n SER 317 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h77 n GLY 318 N 0.76 2.85 3.82 5.00 0.00 -1.26 -3.20 105.19 113.15 3h77 n GLY 318 Ca 0.12 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 3h77 n GLY 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h77 s ALA 319 N 0.00 3.00 0.21 4.61 0.00 -0.68 -2.61 121.76 126.30 3h77 s ALA 319 Ca 0.00 0.41 0.10 0.00 0.00 0.00 0.00 51.96 52.46 3h77 s ALA 319 Cb 0.00 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 3h77 s ALA 319 CO 0.00 -0.04 -0.18 0.95 0.00 0.00 0.00 175.76 176.49 3h77 s THR 320 N -2.21 2.04 0.28 0.00 -4.23 -0.72 -1.12 115.64 109.67 3h77 s THR 320 Ca 0.63 -2.16 -0.19 0.00 -1.18 0.00 0.00 61.69 58.79 3h77 s THR 320 Cb -0.11 -2.07 0.02 0.00 1.34 0.00 0.00 72.50 71.68 3h77 s THR 320 CO 0.18 -0.41 0.67 -1.66 -0.54 0.00 0.00 174.62 172.86 3h77 s TRP 321 N -2.43 -0.03 -0.10 3.99 -2.14 -0.38 -0.66 118.94 117.19 3h77 s TRP 321 Ca 0.22 -0.42 -0.30 0.00 2.66 0.00 0.00 56.10 58.26 3h77 s TRP 321 Cb -0.04 0.59 0.12 0.00 -3.10 0.00 0.00 33.47 31.04 3h77 s TRP 321 CO 0.09 -1.21 0.95 0.20 -2.66 0.00 0.00 176.95 174.32 3h77 s GLY 322 N -2.96 -0.36 -0.01 3.67 0.00 -0.74 -1.38 107.32 105.55 3h77 s GLY 322 Ca 0.14 1.61 0.02 0.00 0.00 0.00 0.00 44.72 46.49 3h77 s GLY 322 CO 0.08 0.75 -0.07 0.00 0.00 0.00 0.00 173.10 173.86 3h77 s ALA 323 N -1.90 0.64 0.04 3.20 0.00 -0.05 -1.04 121.76 122.65 3h77 s ALA 323 Ca 0.01 -0.30 0.04 0.00 0.00 0.00 0.00 51.96 51.70 3h77 s ALA 323 Cb -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 3h77 s ALA 323 CO -0.02 0.14 -0.11 0.00 0.00 0.00 0.00 175.76 175.77 3h77 s ALA 324 N -0.08 0.92 -0.16 0.00 0.00 0.16 -0.89 121.76 121.72 3h77 s ALA 324 Ca 0.01 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.20 3h77 s ALA 324 Cb -0.04 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.01 3h77 s ALA 324 CO -0.00 0.13 -0.20 -1.17 0.00 0.00 0.00 175.76 174.52 3h77 s LEU 325 N -1.30 2.05 -0.03 0.00 2.96 -0.40 -0.57 118.68 121.38 3h77 s LEU 325 Ca -0.03 -0.60 0.03 0.00 -0.22 0.00 0.00 54.13 53.32 3h77 s LEU 325 Cb -0.08 -1.41 -0.00 0.00 0.50 0.00 0.00 46.19 45.19 3h77 s LEU 325 CO 0.01 0.02 -0.13 -0.47 -1.32 0.00 0.00 176.35 174.46 3h77 s TYR 326 N 1.15 1.30 -0.15 5.38 5.04 -0.01 -0.85 117.35 129.21 3h77 s TYR 326 Ca 0.01 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.30 3h77 s TYR 326 Cb -0.14 -0.89 0.03 0.00 0.35 0.00 0.00 41.96 41.30 3h77 s TYR 326 CO -0.09 -0.12 -0.13 0.50 -1.34 0.00 0.00 175.55 174.38 3h77 s ARG 327 N 0.07 2.18 0.28 4.97 3.52 -0.16 -0.17 118.95 129.65 3h77 s ARG 327 Ca -0.02 -0.57 -0.30 0.00 -0.13 0.00 0.00 55.73 54.71 3h77 s ARG 327 Cb -0.09 -2.10 -0.10 0.00 -1.56 0.00 0.00 34.95 31.09 3h77 s ARG 327 CO 0.01 -0.27 1.46 0.15 -0.81 0.00 0.00 175.30 175.84 3h77 s LYS 328 N 1.50 4.23 0.00 5.12 1.02 -1.15 0.57 119.74 131.03 3h77 s LYS 328 Ca 0.04 2.37 0.00 0.00 0.02 0.00 0.00 55.97 58.41 3h77 s LYS 328 Cb -0.13 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 3h77 s LYS 328 CO -0.10 -0.44 0.38 -2.30 -0.92 0.00 0.00 175.35 171.97