#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h76 s ASN 2 N 0.00 7.40 0.84 1.61 0.01 -0.47 -4.50 114.94 119.83 3h76 s ASN 2 Ca 0.00 1.68 -0.14 0.00 -0.71 0.00 0.00 52.86 53.69 3h76 s ASN 2 Cb 0.00 -2.56 0.04 0.00 0.41 0.00 0.00 41.25 39.14 3h76 s ASN 2 CO 0.00 -0.11 0.77 -2.65 -1.51 0.00 0.00 177.10 173.60 3h76 n PRO 3 N 3.15 0.01 -4.26 -0.60 -0.02 -1.26 -2.85 135.00 129.18 3h76 n PRO 3 Ca 0.02 0.07 -0.16 0.00 -2.02 0.00 0.00 63.50 61.41 3h76 n PRO 3 Cb 0.50 -2.09 -0.10 0.00 -0.02 0.00 0.00 33.50 31.78 3h76 n PRO 3 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3h76 s ILE 4 N -2.19 1.31 -0.78 4.25 -4.36 0.26 -2.11 121.20 117.58 3h76 s ILE 4 Ca 0.66 -1.92 -0.23 0.00 -0.26 0.00 0.00 60.65 58.90 3h76 s ILE 4 Cb -0.28 -1.72 0.07 0.00 1.25 0.00 0.00 42.46 41.79 3h76 s ILE 4 CO 0.58 -0.58 1.11 -0.76 0.24 0.00 0.00 174.94 175.54 3h76 s LEU 5 N -2.86 4.22 0.13 0.37 1.43 -1.26 -1.40 118.68 119.31 3h76 s LEU 5 Ca 0.14 -1.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.08 3h76 s LEU 5 Cb -0.01 -2.46 -0.12 0.00 0.03 0.00 0.00 46.19 43.63 3h76 s LEU 5 CO 0.03 -1.43 1.30 0.00 0.23 0.00 0.00 176.35 176.47 3h76 h ALA 6 N 9.51 0.39 -2.56 4.21 0.00 -1.15 -3.46 119.26 126.20 3h76 h ALA 6 Ca -0.13 -0.82 -0.10 0.00 0.00 0.00 0.00 54.91 53.87 3h76 h ALA 6 Cb 1.05 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.59 3h76 h ALA 6 CO 1.21 1.04 -0.29 0.20 0.00 0.00 0.00 179.25 181.41 3h76 s GLY 7 N -4.61 -0.06 0.04 0.00 0.00 -1.18 -3.81 107.32 97.70 3h76 s GLY 7 Ca -0.02 -0.15 0.02 0.00 0.00 0.00 0.00 44.72 44.58 3h76 s GLY 7 CO 0.83 -0.35 -0.08 1.08 0.00 0.00 0.00 173.10 174.59 3h76 s LEU 8 N -2.20 2.26 0.18 0.66 1.02 -1.26 -0.73 118.68 118.61 3h76 s LEU 8 Ca -0.03 -0.56 -0.21 0.00 0.02 0.00 0.00 54.13 53.35 3h76 s LEU 8 Cb -0.00 -0.16 0.05 0.00 0.02 0.00 0.00 46.19 46.10 3h76 s LEU 8 CO -0.05 -0.21 0.57 -0.83 0.02 0.00 0.00 176.35 175.85 3h76 s GLY 9 N -1.61 -0.41 0.12 -3.19 0.00 -0.16 -3.74 107.32 98.34 3h76 s GLY 9 Ca -0.10 0.18 -0.18 0.00 0.00 0.00 0.00 44.72 44.63 3h76 s GLY 9 CO 0.00 -0.02 0.44 -0.11 0.00 0.00 0.00 173.10 173.41 3h76 s PHE 10 N -3.80 -0.28 -0.18 1.90 -0.12 -1.26 -0.91 117.98 113.34 3h76 s PHE 10 Ca 0.04 0.01 -0.14 0.00 -0.05 0.00 0.00 56.93 56.79 3h76 s PHE 10 Cb -0.01 0.31 0.05 0.00 -0.63 0.00 0.00 43.02 42.74 3h76 s PHE 10 CO -0.09 -0.72 0.46 0.45 -0.05 0.00 0.00 175.22 175.28 3h76 s SER 11 N -2.71 -0.53 0.09 1.98 0.15 -0.01 -4.44 113.70 108.22 3h76 s SER 11 Ca 0.02 0.97 0.07 0.00 0.70 0.00 0.00 55.95 57.70 3h76 s SER 11 Cb 0.01 0.92 -0.03 0.00 -1.71 0.00 0.00 66.02 65.21 3h76 s SER 11 CO -0.11 -0.18 -0.17 -0.76 1.20 0.00 0.00 173.24 173.21 3h76 s LEU 12 N 0.77 2.30 0.87 3.45 1.43 -1.26 -1.38 118.68 124.86 3h76 s LEU 12 Ca -0.04 -0.66 -0.10 0.00 -1.03 0.00 0.00 54.13 52.29 3h76 s LEU 12 Cb -0.05 -0.70 0.12 0.00 0.03 0.00 0.00 46.19 45.58 3h76 s LEU 12 CO -0.06 -0.01 1.12 -2.84 0.23 0.00 0.00 176.35 174.79 3h76 s PRO 13 N -1.88 1.41 0.20 1.29 0.02 -1.26 -4.96 135.00 129.82 3h76 s PRO 13 Ca 0.03 1.36 0.03 0.00 0.02 0.00 0.00 61.00 62.43 3h76 s PRO 13 Cb -0.10 -1.79 0.12 0.00 0.02 0.00 0.00 34.50 32.76 3h76 s PRO 13 CO 0.03 -2.30 1.47 0.87 -0.33 0.00 0.00 177.00 176.75 3h76 h LYS 14 N -1.62 0.24 -6.51 5.54 1.79 -1.98 -3.44 116.57 110.59 3h76 h LYS 14 Ca -0.44 -0.20 -0.57 0.00 -2.18 0.00 0.00 60.65 57.25 3h76 h LYS 14 Cb 1.26 0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 31.87 3h76 h LYS 14 CO 0.46 0.87 0.82 0.50 -1.08 0.00 0.00 179.45 181.02 3h76 s ARG 15 N -3.51 3.72 0.02 3.15 3.52 -1.25 -4.97 118.95 119.62 3h76 s ARG 15 Ca -0.04 0.52 -0.30 0.00 -0.13 0.00 0.00 55.73 55.78 3h76 s ARG 15 Cb 0.11 -3.89 -0.05 0.00 -1.56 0.00 0.00 34.95 29.56 3h76 s ARG 15 CO 0.81 -1.27 1.25 -1.14 -0.81 0.00 0.00 175.30 174.14 3h76 s GLN 16 N 4.16 4.37 -0.39 5.12 0.74 -1.26 -1.15 119.66 131.25 3h76 s GLN 16 Ca 0.45 1.79 -0.09 0.00 0.05 0.00 0.00 55.36 57.56 3h76 s GLN 16 Cb -0.09 -3.45 0.05 0.00 1.10 0.00 0.00 33.01 30.63 3h76 s GLN 16 CO 0.28 -0.38 0.21 0.08 -0.55 0.00 0.00 175.29 174.93 3h76 s VAL 17 N 1.65 4.26 0.77 1.34 1.01 0.30 -4.95 120.40 124.79 3h76 s VAL 17 Ca 0.59 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 3h76 s VAL 17 Cb -0.29 -3.49 0.06 0.00 0.00 0.00 0.00 36.38 32.66 3h76 s VAL 17 CO 0.27 -0.35 1.15 -0.94 0.00 0.00 0.00 175.10 175.23 3h76 s SER 18 N 1.77 4.81 0.39 3.32 1.04 -1.26 -1.47 113.70 122.29 3h76 s SER 18 Ca 0.02 0.88 0.09 0.00 0.48 0.00 0.00 55.95 57.41 3h76 s SER 18 Cb -0.21 -1.47 0.86 0.00 0.10 0.00 0.00 66.02 65.30 3h76 s SER 18 CO 0.04 -1.72 1.98 0.78 0.98 0.00 0.00 173.24 175.30 3h76 h ASN 19 N -0.92 0.53 0.13 7.02 2.35 -1.81 -2.82 115.58 120.07 3h76 h ASN 19 Ca -0.46 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.16 3h76 h ASN 19 Cb 1.31 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.55 3h76 h ASN 19 CO 0.65 0.35 -0.49 0.45 -1.65 0.00 0.00 177.43 176.74 3h76 h HIS 20 N 0.61 0.51 -0.47 1.19 3.86 -1.93 -2.96 115.15 115.96 3h76 h HIS 20 Ca 0.27 -0.16 0.10 0.00 -1.16 0.00 0.00 60.37 59.42 3h76 h HIS 20 Cb 0.29 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 3h76 h HIS 20 CO -0.00 0.82 0.33 -0.44 0.86 0.00 0.00 177.93 179.50 3h76 h ASP 21 N 0.33 0.16 1.45 2.45 3.32 -1.87 -2.30 116.42 119.96 3h76 h ASP 21 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3h76 h ASP 21 Cb 0.98 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.50 3h76 h ASP 21 CO 0.09 0.10 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.55 3h76 h LEU 22 N 0.18 0.00 -1.11 1.55 4.07 -1.56 -3.38 115.31 115.06 3h76 h LEU 22 Ca 0.22 -0.02 -0.09 0.00 0.08 0.00 0.00 57.88 58.07 3h76 h LEU 22 Cb 0.64 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 3h76 h LEU 22 CO -0.03 0.01 -0.37 0.58 -1.08 0.00 0.00 178.44 177.55 3h76 h VAL 23 N 0.00 1.28 0.00 1.22 2.07 -1.45 0.29 116.25 119.66 3h76 h VAL 23 Ca 0.00 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.16 3h76 h VAL 23 Cb 0.77 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 3h76 h VAL 23 CO 0.00 0.40 0.00 0.61 0.02 0.00 0.00 177.57 178.60 3h76 n GLY 24 N -0.36 -0.89 1.87 2.17 0.00 -1.26 -4.10 105.19 102.62 3h76 n GLY 24 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3h76 n GLY 24 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3h76 n ARG 25 N -0.77 0.00 -3.80 1.61 0.63 -0.70 -5.03 116.66 108.60 3h76 n ARG 25 Ca 0.12 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.70 3h76 n ARG 25 Cb 0.05 -0.07 -0.05 0.00 0.45 0.00 0.00 32.46 32.84 3h76 n ARG 25 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3h76 s ILE 26 N -2.00 5.35 -1.20 5.15 1.01 0.94 -4.89 121.20 125.57 3h76 s ILE 26 Ca 0.00 0.11 -0.20 0.00 0.00 0.00 0.00 60.65 60.56 3h76 s ILE 26 Cb 0.00 -3.54 0.06 0.00 0.01 0.00 0.00 42.46 38.98 3h76 s ILE 26 CO 0.00 0.39 1.65 0.20 0.00 0.00 0.00 174.94 177.18 3h76 s ASN 27 N -1.67 6.65 0.00 3.58 -0.87 -1.26 -4.40 114.94 116.97 3h76 s ASN 27 Ca 0.26 -2.08 0.00 0.00 -1.57 0.00 0.00 52.86 49.47 3h76 s ASN 27 Cb -0.13 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.52 3h76 s ASN 27 CO 0.15 -1.36 0.00 1.07 -2.57 0.00 0.00 177.10 174.40 3h76 n THR 28 N 6.62 0.00 -3.83 1.60 5.66 -1.26 -5.04 114.28 118.03 3h76 n THR 28 Ca 0.43 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.33 3h76 n THR 28 Cb 0.48 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.18 3h76 n THR 28 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3h76 s SER 29 N 0.37 0.01 0.38 1.09 1.04 -1.26 -4.92 113.70 110.42 3h76 s SER 29 Ca 0.00 -0.36 0.17 0.00 0.48 0.00 0.00 55.95 56.23 3h76 s SER 29 Cb 0.00 0.31 1.05 0.00 0.10 0.00 0.00 66.02 67.48 3h76 s SER 29 CO 0.00 -0.59 1.77 -0.78 0.98 0.00 0.00 173.24 174.63 3h76 h ASP 30 N 3.33 0.49 -0.04 7.02 3.58 -1.97 -1.47 116.42 127.37 3h76 h ASP 30 Ca -0.32 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.21 3h76 h ASP 30 Cb 1.19 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.25 3h76 h ASP 30 CO 0.49 0.11 0.00 -0.33 -2.88 0.00 0.00 179.24 176.63 3h76 h GLU 31 N 0.44 0.07 -0.06 0.28 3.07 -1.97 -2.04 114.58 114.37 3h76 h GLU 31 Ca 0.59 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.43 3h76 h GLU 31 Cb 1.41 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.31 3h76 h GLU 31 CO -0.31 0.33 0.03 0.35 -1.40 0.00 0.00 179.01 178.01 3h76 h PHE 32 N -0.20 0.08 -0.10 4.33 3.57 -1.88 -2.82 116.94 119.92 3h76 h PHE 32 Ca 0.01 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.53 3h76 h PHE 32 Cb 0.30 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 3h76 h PHE 32 CO 0.02 0.16 -0.05 0.82 -2.23 0.00 0.00 178.31 177.03 3h76 h ILE 33 N -0.02 0.84 -0.54 1.41 2.04 -1.22 0.62 117.51 120.64 3h76 h ILE 33 Ca 0.02 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 3h76 h ILE 33 Cb 0.11 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3h76 h ILE 33 CO -0.00 0.00 0.28 0.58 0.00 0.00 0.00 178.15 179.01 3h76 h VAL 34 N -0.04 1.19 -0.18 1.67 2.07 -1.43 0.04 116.25 119.57 3h76 h VAL 34 Ca 0.06 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 3h76 h VAL 34 Cb 0.13 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3h76 h VAL 34 CO -0.13 0.21 -0.18 -0.08 0.02 0.00 0.00 177.57 177.41 3h76 h GLU 35 N 0.73 0.43 0.00 1.57 4.57 -1.30 -1.19 114.58 119.39 3h76 h GLU 35 Ca 0.19 -0.23 -0.08 0.00 -1.18 0.00 0.00 59.36 58.05 3h76 h GLU 35 Cb 0.08 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 3h76 h GLU 35 CO -0.03 0.80 -0.70 -0.09 -1.18 0.00 0.00 179.01 177.81 3h76 h ARG 36 N 0.09 0.00 0.00 1.92 2.43 -0.76 -3.40 114.38 114.65 3h76 h ARG 36 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3h76 h ARG 36 Cb 0.73 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 3h76 h ARG 36 CO 0.05 0.28 -0.71 0.25 -1.51 0.00 0.00 179.97 178.32 3h76 n THR 37 N -3.04 0.00 -1.00 0.20 -2.24 -0.02 -4.79 114.28 103.40 3h76 n THR 37 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3h76 n THR 37 Cb 0.69 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 3h76 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h76 n GLY 38 N 2.10 0.98 3.75 3.38 0.00 -0.45 -0.61 105.19 114.35 3h76 n GLY 38 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3h76 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h76 s VAL 39 N -3.92 3.41 -0.07 1.61 1.01 -1.26 -4.43 120.40 116.76 3h76 s VAL 39 Ca 0.00 1.33 -0.01 0.00 0.00 0.00 0.00 61.98 63.29 3h76 s VAL 39 Cb 0.00 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 3h76 s VAL 39 CO 0.00 0.28 -0.07 0.54 0.00 0.00 0.00 175.10 175.85 3h76 n ARG 40 N 1.62 0.15 -3.82 2.72 5.12 0.60 -4.10 116.66 118.95 3h76 n ARG 40 Ca 0.01 0.05 -0.09 0.00 -1.93 0.00 0.00 57.85 55.89 3h76 n ARG 40 Cb 0.44 -0.94 -0.07 0.00 -1.16 0.00 0.00 32.46 30.73 3h76 n ARG 40 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3h76 s THR 41 N -2.13 0.13 0.18 0.55 -4.23 -0.63 -2.33 115.64 107.18 3h76 s THR 41 Ca -0.09 -1.05 -0.02 0.00 -1.18 0.00 0.00 61.69 59.35 3h76 s THR 41 Cb 0.03 -1.25 -0.04 0.00 1.34 0.00 0.00 72.50 72.58 3h76 s THR 41 CO 0.14 -0.58 0.12 -0.13 -0.54 0.00 0.00 174.62 173.63 3h76 s ARG 42 N -3.63 1.13 -0.09 3.99 3.00 -0.54 -2.67 118.95 120.14 3h76 s ARG 42 Ca 0.03 -1.55 -0.01 0.00 0.00 0.00 0.00 55.73 54.20 3h76 s ARG 42 Cb 0.04 0.27 -0.03 0.00 0.00 0.00 0.00 34.95 35.23 3h76 s ARG 42 CO -0.10 -0.36 -0.04 0.71 0.00 0.00 0.00 175.30 175.50 3h76 s TYR 43 N -4.12 3.01 -0.02 -0.53 2.02 -1.26 0.11 117.35 116.56 3h76 s TYR 43 Ca 0.34 0.02 0.05 0.00 -0.37 0.00 0.00 57.07 57.11 3h76 s TYR 43 Cb 0.07 -1.77 -0.01 0.00 -0.40 0.00 0.00 41.96 39.85 3h76 s TYR 43 CO 0.09 0.32 -0.17 -1.01 -1.57 0.00 0.00 175.55 173.20 3h76 s HIS 44 N -0.66 1.60 0.75 2.71 3.76 -0.30 -1.55 115.29 121.60 3h76 s HIS 44 Ca 0.10 -0.35 -0.11 0.00 -0.15 0.00 0.00 55.06 54.55 3h76 s HIS 44 Cb -0.12 -1.05 0.04 0.00 1.11 0.00 0.00 32.58 32.57 3h76 s HIS 44 CO 0.02 -0.07 1.08 0.14 -0.85 0.00 0.00 174.74 175.06 3h76 s VAL 45 N -0.27 3.51 0.55 -0.90 -7.23 -1.26 -3.83 120.40 110.97 3h76 s VAL 45 Ca 0.04 0.50 -0.20 0.00 -1.81 0.00 0.00 61.98 60.51 3h76 s VAL 45 Cb -0.08 -3.05 -0.05 0.00 0.56 0.00 0.00 36.38 33.75 3h76 s VAL 45 CO 0.00 -0.63 1.20 -1.61 -0.31 0.00 0.00 175.10 173.75 3h76 s GLU 46 N -4.89 3.26 0.65 4.82 0.41 -1.26 -4.91 118.70 116.77 3h76 s GLU 46 Ca 0.61 1.81 0.22 0.00 -0.41 0.00 0.00 54.97 57.20 3h76 s GLU 46 Cb -0.16 -2.09 1.12 0.00 -1.78 0.00 0.00 34.13 31.22 3h76 s GLU 46 CO 0.55 -0.97 1.63 -1.35 -0.49 0.00 0.00 175.26 174.62 3h76 h PRO 47 N 1.29 0.00 -0.00 0.39 0.11 -2.04 0.30 132.00 132.05 3h76 h PRO 47 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3h76 h PRO 47 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3h76 h PRO 47 CO 0.57 0.00 -0.31 0.39 -0.21 0.00 0.00 178.00 178.44 3h76 n GLU 48 N -2.95 0.23 -4.11 1.05 4.71 -1.26 -4.91 120.64 113.41 3h76 n GLU 48 Ca 0.02 -0.11 -0.31 0.00 -0.01 0.00 0.00 57.16 56.75 3h76 n GLU 48 Cb 0.68 -1.50 -0.07 0.00 -1.01 0.00 0.00 31.44 29.54 3h76 n GLU 48 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3h76 s GLN 49 N -2.85 2.87 0.55 3.49 -0.21 0.09 -5.11 119.66 118.49 3h76 s GLN 49 Ca 0.16 -0.64 0.03 0.00 0.02 0.00 0.00 55.36 54.93 3h76 s GLN 49 Cb 0.18 -2.73 0.03 0.00 1.00 0.00 0.00 33.01 31.49 3h76 s GLN 49 CO 0.61 0.59 0.24 0.00 -2.12 0.00 0.00 175.29 174.61 3h76 s ALA 50 N -1.28 4.41 0.45 6.09 0.00 -1.26 -4.82 121.76 125.35 3h76 s ALA 50 Ca 0.26 -0.68 0.12 0.00 0.00 0.00 0.00 51.96 51.66 3h76 s ALA 50 Cb -0.12 -0.41 1.03 0.00 0.00 0.00 0.00 23.12 23.62 3h76 s ALA 50 CO 0.18 -0.27 2.05 -0.24 0.00 0.00 0.00 175.76 177.47 3h76 h VAL 51 N 0.95 1.08 -0.40 0.00 3.04 -1.90 -1.34 116.25 117.68 3h76 h VAL 51 Ca -0.39 -0.32 0.12 0.00 -1.01 0.00 0.00 66.70 65.09 3h76 h VAL 51 Cb 1.32 1.00 -0.02 0.00 -2.01 0.00 0.00 31.29 31.58 3h76 h VAL 51 CO 0.64 0.11 0.31 0.77 -1.01 0.00 0.00 177.57 178.38 3h76 h SER 52 N 0.17 0.00 0.52 3.17 4.64 -1.96 -0.58 113.55 119.52 3h76 h SER 52 Ca 0.04 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.29 3h76 h SER 52 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 3h76 h SER 52 CO 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 176.83 175.64 3h76 h ALA 53 N 1.76 1.23 0.12 5.18 0.00 -1.64 -1.75 119.26 124.15 3h76 h ALA 53 Ca 0.19 -0.30 -0.28 0.00 0.00 0.00 0.00 54.91 54.53 3h76 h ALA 53 Cb 0.81 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3h76 h ALA 53 CO -0.00 0.41 -1.41 -0.07 0.00 0.00 0.00 179.25 178.18 3h76 h LEU 54 N 0.00 0.39 -0.74 0.00 4.07 -1.36 -3.40 115.31 114.27 3h76 h LEU 54 Ca -0.00 -0.86 -0.02 0.00 0.08 0.00 0.00 57.88 57.07 3h76 h LEU 54 Cb 0.68 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.26 3h76 h LEU 54 CO 0.04 1.62 0.37 0.24 -1.08 0.00 0.00 178.44 179.63 3h76 h MET 55 N -0.29 1.06 0.91 1.13 2.86 -1.01 -2.89 114.93 116.70 3h76 h MET 55 Ca -0.30 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.15 3h76 h MET 55 Cb 1.77 -0.19 0.01 0.00 0.06 0.00 0.00 31.60 33.24 3h76 h MET 55 CO 0.06 0.82 -0.44 0.28 1.06 0.00 0.00 176.91 178.70 3h76 h VAL 56 N 1.04 0.07 -0.38 -2.22 2.07 -1.53 -1.23 116.25 114.06 3h76 h VAL 56 Ca 0.26 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.69 3h76 h VAL 56 Cb 0.10 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 3h76 h VAL 56 CO -0.03 0.00 0.11 1.55 0.02 0.00 0.00 177.57 179.21 3h76 h PRO 57 N -1.27 0.56 -0.45 1.57 0.13 -1.76 -1.07 132.00 129.71 3h76 h PRO 57 Ca -0.12 -0.09 0.04 0.00 -0.87 0.00 0.00 66.00 64.96 3h76 h PRO 57 Cb 0.94 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.93 3h76 h PRO 57 CO 0.20 0.50 0.21 0.00 -0.23 0.00 0.00 178.00 178.68 3h76 h ALA 58 N 1.57 0.56 -0.10 -0.56 0.00 -1.41 -0.64 119.26 118.67 3h76 h ALA 58 Ca 0.13 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3h76 h ALA 58 Cb 0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3h76 h ALA 58 CO -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 179.25 179.08 3h76 h ALA 59 N 1.25 0.14 -0.73 0.00 0.00 -1.00 -2.49 119.26 116.44 3h76 h ALA 59 Ca 0.20 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.05 3h76 h ALA 59 Cb 0.13 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.78 3h76 h ALA 59 CO -0.15 -0.16 0.25 0.00 0.00 0.00 0.00 179.25 179.18 3h76 h ARG 60 N -0.12 0.36 -0.08 0.00 3.08 -1.09 -0.02 114.38 116.51 3h76 h ARG 60 Ca 0.03 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h76 h ARG 60 Cb 0.39 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 3h76 h ARG 60 CO 0.01 0.24 0.05 0.37 -1.07 0.00 0.00 179.97 179.56 3h76 h GLN 61 N 0.37 0.12 -0.42 0.04 4.15 -1.05 -1.40 115.11 116.93 3h76 h GLN 61 Ca 0.40 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.84 3h76 h GLN 61 Cb 0.63 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.26 3h76 h GLN 61 CO -0.43 0.15 0.21 0.00 -1.93 0.00 0.00 178.83 176.82 3h76 h ALA 62 N 0.96 0.52 -0.44 3.38 0.00 -1.06 0.54 119.26 123.17 3h76 h ALA 62 Ca 0.03 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3h76 h ALA 62 Cb 0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3h76 h ALA 62 CO -0.01 -0.15 0.22 0.82 0.00 0.00 0.00 179.25 180.13 3h76 h ILE 63 N 0.42 0.97 -0.01 0.00 2.04 -0.92 -1.88 117.51 118.13 3h76 h ILE 63 Ca 0.18 -0.15 -0.20 0.00 1.00 0.00 0.00 64.86 65.69 3h76 h ILE 63 Cb 0.09 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3h76 h ILE 63 CO -0.13 0.08 -0.87 -0.08 0.00 0.00 0.00 178.15 177.16 3h76 h GLU 64 N 0.44 0.29 -0.45 2.37 4.81 -1.00 -2.12 114.58 118.93 3h76 h GLU 64 Ca 0.19 -0.30 0.09 0.00 -0.13 0.00 0.00 59.36 59.21 3h76 h GLU 64 Cb 0.10 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3h76 h GLU 64 CO -0.13 0.99 0.31 0.00 -0.73 0.00 0.00 179.01 179.44 3h76 h ALA 65 N 0.91 2.14 -0.00 2.92 0.00 0.36 -0.45 119.26 125.13 3h76 h ALA 65 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3h76 h ALA 65 Cb 1.48 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3h76 h ALA 65 CO 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 179.25 179.12 3h76 n ALA 66 N -2.56 2.65 -1.31 0.00 0.00 -0.73 -4.67 120.51 113.89 3h76 n ALA 66 Ca 0.07 -0.23 -0.11 0.00 0.00 0.00 0.00 53.44 53.17 3h76 n ALA 66 Cb 0.37 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 3h76 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h76 n GLY 67 N 1.14 1.20 4.00 0.00 0.00 -0.18 -4.90 105.19 106.45 3h76 n GLY 67 Ca 0.19 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 3h76 n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h76 s LEU 68 N -2.46 2.98 0.30 0.99 1.43 -0.82 -5.03 118.68 116.07 3h76 s LEU 68 Ca 0.00 -0.97 0.10 0.00 -1.03 0.00 0.00 54.13 52.24 3h76 s LEU 68 Cb 0.00 -1.49 -0.06 0.00 0.03 0.00 0.00 46.19 44.67 3h76 s LEU 68 CO 0.00 -1.28 -0.15 -0.76 0.23 0.00 0.00 176.35 174.39 3h76 s LEU 69 N -4.56 2.63 0.49 1.79 1.43 -1.26 -4.29 118.68 114.91 3h76 s LEU 69 Ca 0.54 -1.10 0.25 0.00 -1.03 0.00 0.00 54.13 52.79 3h76 s LEU 69 Cb -0.05 -1.00 1.31 0.00 0.03 0.00 0.00 46.19 46.48 3h76 s LEU 69 CO 0.34 -0.09 1.89 -0.65 0.23 0.00 0.00 176.35 178.07 3h76 h PRO 70 N 2.21 0.16 -0.04 1.29 0.11 -1.88 -0.15 132.00 133.70 3h76 h PRO 70 Ca -0.41 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.71 3h76 h PRO 70 Cb 1.25 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3h76 h PRO 70 CO 0.64 0.11 0.11 0.93 -0.21 0.00 0.00 178.00 179.58 3h76 h GLU 71 N 0.17 0.00 0.00 1.05 3.07 -1.92 -2.83 114.58 114.12 3h76 h GLU 71 Ca 0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 3h76 h GLU 71 Cb 1.41 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.32 3h76 h GLU 71 CO -0.08 0.00 0.00 -0.44 -1.40 0.00 0.00 179.01 177.09 3h76 h ASP 72 N 0.00 0.00 -3.44 1.42 3.32 -1.42 -3.45 116.42 112.85 3h76 h ASP 72 Ca 0.02 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.53 3h76 h ASP 72 Cb 0.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3h76 h ASP 72 CO -0.00 0.00 0.35 -0.63 -1.72 0.00 0.00 179.24 177.24 3h76 s ILE 73 N -3.17 4.79 -0.17 0.35 -1.09 -1.07 -4.47 121.20 116.38 3h76 s ILE 73 Ca 0.09 2.03 0.22 0.00 -2.23 0.00 0.00 60.65 60.76 3h76 s ILE 73 Cb 0.11 -4.31 -0.32 0.00 -1.58 0.00 0.00 42.46 36.36 3h76 s ILE 73 CO 0.56 0.20 0.55 0.47 -1.23 0.00 0.00 174.94 175.49 3h76 n ASP 74 N 3.63 0.15 -3.63 3.58 8.00 0.11 -4.76 116.55 123.63 3h76 n ASP 74 Ca 0.05 -0.14 -0.15 0.00 0.71 0.00 0.00 54.79 55.26 3h76 n ASP 74 Cb 0.51 1.84 -0.07 0.00 -0.02 0.00 0.00 41.12 43.37 3h76 n ASP 74 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3h76 s LEU 75 N -4.32 -0.28 -0.07 0.64 2.96 -1.23 -4.31 118.68 112.07 3h76 s LEU 75 Ca -0.06 0.89 0.01 0.00 -0.22 0.00 0.00 54.13 54.76 3h76 s LEU 75 Cb 0.14 2.14 0.02 0.00 0.50 0.00 0.00 46.19 48.99 3h76 s LEU 75 CO 0.90 -0.38 -0.09 -0.22 -1.32 0.00 0.00 176.35 175.23 3h76 s LEU 76 N -0.44 1.48 -0.11 -0.68 2.96 -1.09 -1.55 118.68 119.26 3h76 s LEU 76 Ca -0.06 -0.26 0.03 0.00 -0.22 0.00 0.00 54.13 53.62 3h76 s LEU 76 Cb -0.03 -0.74 -0.00 0.00 0.50 0.00 0.00 46.19 45.92 3h76 s LEU 76 CO 0.05 -0.01 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.09 3h76 s LEU 77 N 0.91 2.27 -0.05 -0.68 1.43 -0.15 -2.42 118.68 119.99 3h76 s LEU 77 Ca -0.10 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.53 3h76 s LEU 77 Cb -0.15 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.61 3h76 s LEU 77 CO 0.01 0.16 -0.14 0.68 0.23 0.00 0.00 176.35 177.29 3h76 s VAL 78 N 0.34 1.21 -0.20 -1.59 -7.23 -0.31 -1.15 120.40 111.48 3h76 s VAL 78 Ca -0.17 -0.56 -0.05 0.00 -1.81 0.00 0.00 61.98 59.39 3h76 s VAL 78 Cb -0.17 -1.07 -0.02 0.00 0.56 0.00 0.00 36.38 35.67 3h76 s VAL 78 CO 0.08 0.36 -0.00 0.21 -0.31 0.00 0.00 175.10 175.44 3h76 s ASN 79 N 0.36 4.85 -0.16 4.85 3.84 -0.13 -1.35 114.94 127.19 3h76 s ASN 79 Ca -0.09 -0.19 -0.28 0.00 0.21 0.00 0.00 52.86 52.51 3h76 s ASN 79 Cb -0.13 -1.82 0.07 0.00 -0.55 0.00 0.00 41.25 38.81 3h76 s ASN 79 CO 0.03 0.08 0.71 0.28 -2.79 0.00 0.00 177.10 175.40 3h76 s THR 80 N 0.92 0.00 -0.70 -5.21 -1.32 -1.25 -2.33 115.64 105.74 3h76 s THR 80 Ca 0.01 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.65 3h76 s THR 80 Cb -0.14 -1.00 0.55 0.00 -1.51 0.00 0.00 72.50 70.40 3h76 s THR 80 CO 0.02 0.00 1.47 0.00 -2.21 0.00 0.00 174.62 173.89 3h76 n LEU 81 N 1.77 4.03 -2.80 9.08 -0.00 -1.26 -4.63 117.00 123.19 3h76 n LEU 81 Ca -0.16 -2.55 -0.17 0.00 -0.00 0.00 0.00 56.01 53.13 3h76 n LEU 81 Cb 0.56 -0.48 -0.00 0.00 -0.00 0.00 0.00 43.42 43.50 3h76 n LEU 81 CO 0.14 0.73 -0.06 -1.54 -0.00 0.00 0.00 177.39 176.67 3h76 n SER 82 N 0.38 2.30 -4.70 1.45 3.41 -1.26 -5.05 113.62 110.14 3h76 n SER 82 Ca 0.21 -3.11 -0.33 0.00 -0.26 0.00 0.00 58.87 55.38 3h76 n SER 82 Cb 0.78 -0.54 0.13 0.00 -0.26 0.00 0.00 64.21 64.32 3h76 n SER 82 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3h76 s PRO 83 N -3.06 1.65 0.26 4.33 0.04 -1.26 -4.41 135.00 132.54 3h76 s PRO 83 Ca 0.37 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 63.11 3h76 s PRO 83 Cb 0.40 -1.78 0.55 0.00 0.04 0.00 0.00 34.50 33.70 3h76 s PRO 83 CO -0.06 -2.20 1.71 -0.44 0.04 0.00 0.00 177.00 176.05 3h76 h ASP 84 N -0.94 0.24 -3.70 6.66 5.19 -1.96 -3.44 116.42 118.47 3h76 h ASP 84 Ca -0.46 0.13 -0.42 0.00 -0.62 0.00 0.00 57.03 55.66 3h76 h ASP 84 Cb 1.29 0.13 -0.14 0.00 0.18 0.00 0.00 39.33 40.79 3h76 h ASP 84 CO 0.46 0.04 -0.62 -1.00 -3.12 0.00 0.00 179.24 175.00 3h76 s HIS 85 N -5.98 1.77 -0.01 4.55 3.76 -1.26 -5.00 115.29 113.11 3h76 s HIS 85 Ca -0.12 -1.00 -0.25 0.00 -0.15 0.00 0.00 55.06 53.54 3h76 s HIS 85 Cb 0.22 -1.10 -0.19 0.00 1.11 0.00 0.00 32.58 32.62 3h76 s HIS 85 CO 0.77 -0.09 1.26 1.25 -0.85 0.00 0.00 174.74 177.08 3h76 h HIS 86 N 2.26 0.09 -3.21 1.40 2.76 -2.01 -3.47 115.15 112.97 3h76 h HIS 86 Ca -0.40 -0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 57.70 3h76 h HIS 86 Cb 1.24 -0.02 -0.13 0.00 1.55 0.00 0.00 27.41 30.05 3h76 h HIS 86 CO 0.55 0.57 -0.01 0.16 -1.30 0.00 0.00 177.93 177.91 3h76 s ASP 87 N -5.82 -0.33 1.06 3.26 1.47 -1.26 -4.81 116.67 110.24 3h76 s ASP 87 Ca -0.16 -0.17 -0.11 0.00 1.18 0.00 0.00 52.55 53.29 3h76 s ASP 87 Cb 0.02 0.50 0.16 0.00 -0.34 0.00 0.00 42.92 43.26 3h76 s ASP 87 CO 0.69 -0.84 0.75 -0.81 0.68 0.00 0.00 175.17 175.64 3h76 n PRO 88 N -0.12 -1.43 -1.45 2.11 -0.04 -1.26 -5.11 135.00 127.69 3h76 n PRO 88 Ca -0.17 -1.18 -0.37 0.00 -0.04 0.00 0.00 63.50 61.75 3h76 n PRO 88 Cb 0.63 -0.91 0.07 0.00 -0.04 0.00 0.00 33.50 33.26 3h76 n PRO 88 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3h76 n SER 89 N -3.78 0.32 -0.23 3.54 3.41 -1.26 -4.85 113.62 110.77 3h76 n SER 89 Ca 0.10 0.71 -0.00 0.00 -0.26 0.00 0.00 58.87 59.41 3h76 n SER 89 Cb 0.36 -1.37 0.22 0.00 -0.26 0.00 0.00 64.21 63.16 3h76 n SER 89 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3h76 h GLN 90 N 0.01 1.02 -0.40 4.33 5.75 -1.93 -2.93 115.11 120.95 3h76 h GLN 90 Ca -0.48 -0.08 0.05 0.00 -0.15 0.00 0.00 58.65 58.00 3h76 h GLN 90 Cb 1.35 -0.22 -0.05 0.00 1.07 0.00 0.00 27.48 29.63 3h76 h GLN 90 CO 0.48 0.70 0.12 0.00 -2.65 0.00 0.00 178.83 177.47 3h76 h ALA 91 N 1.49 0.46 -0.58 3.38 0.00 -1.89 -1.75 119.26 120.37 3h76 h ALA 91 Ca 0.28 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.32 3h76 h ALA 91 Cb -0.08 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 3h76 h ALA 91 CO -0.06 -0.28 0.24 0.00 0.00 0.00 0.00 179.25 179.16 3h76 h LEU 93 N 0.45 0.70 0.00 0.00 6.46 -1.16 -3.09 115.31 118.67 3h76 h LEU 93 Ca 0.28 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 3h76 h LEU 93 Cb 0.30 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 3h76 h LEU 93 CO -0.26 0.60 -1.17 2.30 -0.62 0.00 0.00 178.44 179.29 3h76 n ILE 94 N -4.36 0.04 0.05 4.05 -5.35 -0.83 -4.23 119.36 108.72 3h76 n ILE 94 Ca 0.05 -0.15 -0.13 0.00 -0.27 0.00 0.00 62.75 62.25 3h76 n ILE 94 Cb 0.13 0.58 -0.06 0.00 -1.74 0.00 0.00 39.64 38.54 3h76 n ILE 94 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3h76 h GLN 95 N 0.00 -0.53 0.00 6.28 4.15 -1.20 0.24 115.11 124.06 3h76 h GLN 95 Ca 0.00 0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.41 3h76 h GLN 95 Cb 0.65 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 3h76 h GLN 95 CO 0.00 -0.35 -0.22 -1.00 -1.93 0.00 0.00 178.83 175.33 3h76 h PRO 96 N -0.55 0.00 0.00 -2.39 0.13 -1.76 -2.34 132.00 125.09 3h76 h PRO 96 Ca 0.05 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.15 3h76 h PRO 96 Cb 0.64 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 3h76 h PRO 96 CO -0.33 0.22 -0.17 -0.07 -0.23 0.00 0.00 178.00 177.43 3h76 h LEU 97 N 0.00 0.00 -0.13 1.56 3.38 -1.62 -2.71 115.31 115.79 3h76 h LEU 97 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h76 h LEU 97 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3h76 h LEU 97 CO 0.03 0.17 -0.50 0.18 0.09 0.00 0.00 178.44 178.40 3h76 n LEU 98 N -4.32 0.71 -1.50 1.67 4.77 0.03 -4.97 117.00 113.39 3h76 n LEU 98 Ca -0.02 -0.13 -0.12 0.00 -0.03 0.00 0.00 56.01 55.71 3h76 n LEU 98 Cb 0.23 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3h76 n LEU 98 CO 0.36 0.16 -0.08 0.61 -1.33 0.00 0.00 177.39 177.12 3h76 n GLY 99 N 1.46 -0.03 3.83 -0.72 0.00 -1.02 -4.77 105.19 103.93 3h76 n GLY 99 Ca 0.07 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 3h76 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h76 s LEU 100 N -3.52 3.25 1.26 0.99 1.43 -0.91 -4.36 118.68 116.83 3h76 s LEU 100 Ca 0.08 1.61 -0.19 0.00 -1.03 0.00 0.00 54.13 54.60 3h76 s LEU 100 Cb -0.03 -4.50 0.31 0.00 0.03 0.00 0.00 46.19 41.99 3h76 s LEU 100 CO 0.10 -1.22 1.03 -0.13 0.23 0.00 0.00 176.35 176.36 3h76 s ARG 101 N -4.82 -1.67 -1.23 1.70 0.52 -1.26 -4.83 118.95 107.37 3h76 s ARG 101 Ca 0.58 0.17 -0.09 0.00 -0.52 0.00 0.00 55.73 55.87 3h76 s ARG 101 Cb -0.13 -1.52 0.20 0.00 0.52 0.00 0.00 34.95 34.01 3h76 s ARG 101 CO 0.50 -4.05 1.71 0.72 0.02 0.00 0.00 175.30 174.19 3h76 n HIS 102 N -5.05 3.20 -3.51 -0.53 8.25 -1.26 -4.89 115.22 111.43 3h76 n HIS 102 Ca 0.11 -2.88 -0.22 0.00 -0.26 0.00 0.00 57.72 54.47 3h76 n HIS 102 Cb 0.59 -1.84 -0.01 0.00 1.12 0.00 0.00 29.99 29.85 3h76 n HIS 102 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3h76 s ILE 103 N -0.13 4.69 0.16 1.59 -4.36 -1.26 -5.09 121.20 116.81 3h76 s ILE 103 Ca 0.38 -0.77 -0.34 0.00 -0.26 0.00 0.00 60.65 59.66 3h76 s ILE 103 Cb 0.06 -3.68 -0.15 0.00 1.25 0.00 0.00 42.46 39.95 3h76 s ILE 103 CO 0.02 -0.34 1.42 -0.81 0.24 0.00 0.00 174.94 175.47 3h76 n PRO 104 N -1.69 1.75 -3.87 0.37 -0.04 -1.26 -4.98 135.00 125.27 3h76 n PRO 104 Ca -0.04 0.63 -0.12 0.00 -0.04 0.00 0.00 63.50 63.93 3h76 n PRO 104 Cb 0.57 -2.30 -0.13 0.00 -0.04 0.00 0.00 33.50 31.60 3h76 n PRO 104 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3h76 s VAL 105 N 0.41 0.01 0.02 0.52 -7.23 -1.26 -2.66 120.40 110.22 3h76 s VAL 105 Ca 0.77 -0.10 -0.23 0.00 -1.81 0.00 0.00 61.98 60.61 3h76 s VAL 105 Cb -0.76 -0.07 0.05 0.00 0.56 0.00 0.00 36.38 36.17 3h76 s VAL 105 CO 0.45 -0.05 0.53 -1.48 -0.31 0.00 0.00 175.10 174.24 3h76 s LEU 106 N -0.15 -0.12 0.31 1.32 2.34 -1.01 -4.70 118.68 116.67 3h76 s LEU 106 Ca -0.02 0.28 0.01 0.00 0.06 0.00 0.00 54.13 54.46 3h76 s LEU 106 Cb -0.01 2.14 -0.03 0.00 -0.56 0.00 0.00 46.19 47.72 3h76 s LEU 106 CO -0.00 -0.67 0.49 -1.81 -1.06 0.00 0.00 176.35 173.29 3h76 s ASP 107 N -1.76 6.31 0.24 1.48 1.11 -1.26 -1.16 116.67 121.63 3h76 s ASP 107 Ca -0.07 0.36 0.11 0.00 0.18 0.00 0.00 52.55 53.13 3h76 s ASP 107 Cb -0.01 -1.99 -0.05 0.00 1.07 0.00 0.00 42.92 41.94 3h76 s ASP 107 CO 0.01 -0.22 -0.21 0.27 1.18 0.00 0.00 175.17 176.21 3h76 s ILE 108 N -2.19 2.37 -0.32 0.77 -4.36 -0.46 -4.85 121.20 112.15 3h76 s ILE 108 Ca 0.38 -2.26 0.03 0.00 -0.26 0.00 0.00 60.65 58.55 3h76 s ILE 108 Cb -0.10 -2.21 0.09 0.00 1.25 0.00 0.00 42.46 41.49 3h76 s ILE 108 CO 0.34 -0.32 0.01 -0.13 0.24 0.00 0.00 174.94 175.07 3h76 s ARG 109 N -3.23 1.71 -0.06 0.37 1.81 -1.26 -3.89 118.95 114.40 3h76 s ARG 109 Ca 0.26 -1.73 0.11 0.00 -1.72 0.00 0.00 55.73 52.65 3h76 s ARG 109 Cb -0.06 -3.14 0.19 0.00 -0.45 0.00 0.00 34.95 31.50 3h76 s ARG 109 CO 0.13 -0.84 1.09 0.00 -0.68 0.00 0.00 175.30 174.99 3h76 n ALA 110 N 4.31 2.29 -0.55 2.13 0.00 -1.26 -5.07 120.51 122.36 3h76 n ALA 110 Ca -0.01 -1.89 0.00 0.00 0.00 0.00 0.00 53.44 51.54 3h76 n ALA 110 Cb 0.42 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.38 3h76 n ALA 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3h76 n GLN 111 N -0.42 0.00 0.00 0.00 3.00 -1.26 -1.97 117.38 116.73 3h76 n GLN 111 Ca 0.07 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.18 3h76 n GLN 111 Cb 0.76 0.00 0.63 0.00 0.00 0.00 0.00 30.24 31.62 3h76 n GLN 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3h76 n SER 113 N -1.25 2.44 -0.31 0.00 7.64 -0.83 -4.53 113.62 116.79 3h76 n SER 113 Ca 0.12 -2.05 0.11 0.00 1.01 0.00 0.00 58.87 58.06 3h76 n SER 113 Cb 0.18 -0.32 0.28 0.00 -1.01 0.00 0.00 64.21 63.34 3h76 n SER 113 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3h76 h GLY 114 N 5.00 1.51 0.98 0.23 0.00 -1.18 0.14 103.07 109.75 3h76 h GLY 114 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 3h76 h GLY 114 CO 0.03 -0.14 -0.08 -2.00 0.00 0.00 0.00 176.54 174.34 3h76 h LEU 115 N 0.55 -0.20 -0.73 3.11 7.12 -1.81 0.12 115.31 123.47 3h76 h LEU 115 Ca 0.52 -0.01 -0.13 0.00 0.13 0.00 0.00 57.88 58.39 3h76 h LEU 115 Cb 0.87 0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 41.03 3h76 h LEU 115 CO -0.43 -0.12 -0.62 -0.07 -0.13 0.00 0.00 178.44 177.07 3h76 h LEU 116 N -0.26 0.00 -0.46 2.25 3.38 -1.43 0.47 115.31 119.26 3h76 h LEU 116 Ca -0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 3h76 h LEU 116 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3h76 h LEU 116 CO 0.04 0.62 -0.32 1.88 0.09 0.00 0.00 178.44 180.75 3h76 h TYR 117 N 0.00 1.10 -0.24 1.13 0.05 -0.60 0.16 116.97 118.57 3h76 h TYR 117 Ca -0.01 -0.30 -0.18 0.00 0.05 0.00 0.00 58.73 58.29 3h76 h TYR 117 Cb 1.12 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 38.61 3h76 h TYR 117 CO 0.00 1.12 -0.56 0.78 -1.05 0.00 0.00 178.16 178.45 3h76 h GLY 118 N 0.84 0.82 0.97 3.88 0.00 -0.48 -2.13 103.07 106.96 3h76 h GLY 118 Ca 0.08 -0.96 -0.02 0.00 0.00 0.00 0.00 47.33 46.43 3h76 h GLY 118 CO 0.08 0.86 0.23 -2.00 0.00 0.00 0.00 176.54 175.72 3h76 h LEU 119 N 0.57 0.63 -1.27 3.11 5.85 -0.85 0.67 115.31 124.02 3h76 h LEU 119 Ca 0.01 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.65 3h76 h LEU 119 Cb 1.14 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 3h76 h LEU 119 CO 0.12 0.58 0.52 -0.61 -0.34 0.00 0.00 178.44 178.70 3h76 h GLN 120 N 0.64 0.90 -0.21 1.25 5.75 -0.87 0.21 115.11 122.77 3h76 h GLN 120 Ca 0.17 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.51 3h76 h GLN 120 Cb 0.12 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.46 3h76 h GLN 120 CO -0.02 0.60 -0.27 0.52 -2.65 0.00 0.00 178.83 177.00 3h76 h MET 121 N 0.93 0.56 0.23 1.69 2.86 -0.93 -2.13 114.93 118.14 3h76 h MET 121 Ca 0.32 -0.32 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3h76 h MET 121 Cb 0.11 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 3h76 h MET 121 CO -0.10 0.91 -0.37 0.00 1.06 0.00 0.00 176.91 178.42 3h76 h ALA 122 N 0.64 -0.71 -0.85 6.32 0.00 -0.67 -1.96 119.26 122.02 3h76 h ALA 122 Ca 0.03 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 54.99 3h76 h ALA 122 Cb 0.84 0.57 -0.15 0.00 0.00 0.00 0.00 17.79 19.05 3h76 h ALA 122 CO 0.06 -0.95 -0.32 -0.09 0.00 0.00 0.00 179.25 177.95 3h76 h ARG 123 N -0.67 -0.04 -0.48 0.00 2.43 -0.60 -0.60 114.38 114.41 3h76 h ARG 123 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3h76 h ARG 123 Cb 0.65 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 3h76 h ARG 123 CO -0.15 -0.03 0.29 0.78 -1.51 0.00 0.00 179.97 179.35 3h76 h GLY 124 N -0.05 0.71 1.04 2.80 0.00 -1.20 -0.36 103.07 106.01 3h76 h GLY 124 Ca 0.34 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 3h76 h GLY 124 CO -0.88 0.29 0.20 1.46 0.00 0.00 0.00 176.54 177.61 3h76 h GLN 125 N 0.65 1.05 -0.10 4.80 1.08 -0.88 -0.73 115.11 120.98 3h76 h GLN 125 Ca 0.17 -0.23 -0.05 0.00 -1.45 0.00 0.00 58.65 57.09 3h76 h GLN 125 Cb 0.00 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.28 3h76 h GLN 125 CO -0.03 0.92 -0.13 0.82 -0.95 0.00 0.00 178.83 179.46 3h76 h ILE 126 N 0.98 1.37 0.00 2.54 2.04 -1.00 -0.20 117.51 123.24 3h76 h ILE 126 Ca 0.21 -1.34 -0.08 0.00 1.00 0.00 0.00 64.86 64.65 3h76 h ILE 126 Cb 0.32 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 3h76 h ILE 126 CO -0.00 0.38 -0.40 -0.07 0.00 0.00 0.00 178.15 178.06 3h76 h LEU 127 N -0.16 0.00 0.00 1.44 3.38 -1.07 -2.58 115.31 116.31 3h76 h LEU 127 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3h76 h LEU 127 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3h76 h LEU 127 CO 0.03 0.40 0.00 0.00 0.09 0.00 0.00 178.44 178.96 3h76 n ALA 128 N -2.44 2.31 -1.01 1.53 0.00 -0.28 -4.90 120.51 115.72 3h76 n ALA 128 Ca -0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 53.44 53.29 3h76 n ALA 128 Cb 0.44 -1.41 -0.00 0.00 0.00 0.00 0.00 19.45 18.48 3h76 n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h76 n GLY 129 N 0.79 0.45 0.02 0.00 0.00 -0.97 -4.90 105.19 100.57 3h76 n GLY 129 Ca 0.14 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.18 3h76 n GLY 129 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h76 n LEU 130 N -0.03 0.58 -3.72 0.99 4.77 -0.16 -4.91 117.00 114.51 3h76 n LEU 130 Ca -0.00 0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 3h76 n LEU 130 Cb 0.07 -0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 40.88 3h76 n LEU 130 CO 0.00 0.07 0.07 0.00 -1.33 0.00 0.00 177.39 176.20 3h76 s ALA 131 N -3.07 -0.78 -0.12 -1.18 0.00 -0.78 -4.94 121.76 110.89 3h76 s ALA 131 Ca 0.09 0.07 0.05 0.00 0.00 0.00 0.00 51.96 52.16 3h76 s ALA 131 Cb 0.16 0.36 -0.11 0.00 0.00 0.00 0.00 23.12 23.53 3h76 s ALA 131 CO 0.72 -0.45 -0.04 -2.13 0.00 0.00 0.00 175.76 173.86 3h76 n ARG 132 N 0.47 1.27 -3.68 0.00 0.63 -1.26 -4.17 116.66 109.92 3h76 n ARG 132 Ca -0.18 0.04 -0.19 0.00 -0.92 0.00 0.00 57.85 56.59 3h76 n ARG 132 Cb 0.60 -1.27 -0.18 0.00 0.45 0.00 0.00 32.46 32.06 3h76 n ARG 132 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3h76 s HIS 133 N -2.26 0.06 0.02 -0.14 3.76 -1.26 -2.59 115.29 112.87 3h76 s HIS 133 Ca -0.12 0.24 0.08 0.00 -0.15 0.00 0.00 55.06 55.12 3h76 s HIS 133 Cb 0.04 -0.45 -0.02 0.00 1.11 0.00 0.00 32.58 33.25 3h76 s HIS 133 CO 0.37 -0.18 -0.25 0.08 -0.85 0.00 0.00 174.74 173.91 3h76 s VAL 134 N 2.04 2.02 -0.15 -0.90 1.01 0.05 0.03 120.40 124.50 3h76 s VAL 134 Ca 0.03 -1.23 0.02 0.00 0.00 0.00 0.00 61.98 60.81 3h76 s VAL 134 Cb -0.12 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.56 3h76 s VAL 134 CO -0.03 0.44 -0.21 -0.22 0.00 0.00 0.00 175.10 175.07 3h76 s LEU 135 N -0.95 2.13 -0.13 3.92 2.96 -0.59 -0.46 118.68 125.56 3h76 s LEU 135 Ca 0.10 -0.60 -0.01 0.00 -0.22 0.00 0.00 54.13 53.40 3h76 s LEU 135 Cb -0.10 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 3h76 s LEU 135 CO 0.01 0.07 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.33 3h76 s VAL 136 N 0.87 3.44 -0.07 1.68 1.01 -0.25 -0.97 120.40 126.10 3h76 s VAL 136 Ca -0.06 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.42 3h76 s VAL 136 Cb -0.15 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.78 3h76 s VAL 136 CO -0.03 0.52 -0.14 -0.69 0.00 0.00 0.00 175.10 174.76 3h76 s VAL 137 N 0.19 1.29 -0.15 2.92 1.01 -0.30 -1.40 120.40 123.96 3h76 s VAL 137 Ca -0.05 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 3h76 s VAL 137 Cb -0.15 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 3h76 s VAL 137 CO 0.04 0.39 -0.13 0.00 0.00 0.00 0.00 175.10 175.40 3h76 s GLY 139 N 0.67 -0.14 -0.04 0.00 0.00 -0.99 -0.99 107.32 105.83 3h76 s GLY 139 Ca -0.07 0.57 -0.07 0.00 0.00 0.00 0.00 44.72 45.15 3h76 s GLY 139 CO 0.02 0.51 0.17 -0.54 0.00 0.00 0.00 173.10 173.27 3h76 s GLU 140 N 0.17 0.33 -0.49 2.90 0.41 -0.44 -4.43 118.70 117.15 3h76 s GLU 140 Ca -0.01 -0.00 0.03 0.00 -0.41 0.00 0.00 54.97 54.58 3h76 s GLU 140 Cb -0.02 0.15 0.14 0.00 -1.78 0.00 0.00 34.13 32.62 3h76 s GLU 140 CO -0.00 -0.06 0.27 0.08 -0.49 0.00 0.00 175.26 175.06 3h76 s VAL 141 N -0.50 1.87 -1.64 2.63 1.01 -1.26 -1.98 120.40 120.53 3h76 s VAL 141 Ca -0.06 -2.96 0.24 0.00 0.00 0.00 0.00 61.98 59.20 3h76 s VAL 141 Cb -0.04 -2.30 0.04 0.00 0.00 0.00 0.00 36.38 34.09 3h76 s VAL 141 CO 0.01 -0.89 1.24 0.18 0.00 0.00 0.00 175.10 175.64 3h76 n LEU 142 N 3.23 1.36 0.10 3.92 4.77 -1.25 -3.69 117.00 125.44 3h76 n LEU 142 Ca 0.09 -0.47 0.10 0.00 -0.03 0.00 0.00 56.01 55.70 3h76 n LEU 142 Cb 0.34 -0.07 0.58 0.00 -2.33 0.00 0.00 43.42 41.94 3h76 n LEU 142 CO 0.27 0.27 1.13 0.77 -1.33 0.00 0.00 177.39 178.50 3h76 h SER 143 N 1.34 0.17 0.34 -1.43 4.64 -1.85 -2.32 113.55 114.43 3h76 h SER 143 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h76 h SER 143 Cb 0.60 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3h76 h SER 143 CO 0.00 0.11 -0.11 0.29 -0.87 0.00 0.00 176.83 176.25 3h76 n LYS 144 N -4.49 0.72 -0.29 4.77 5.02 -1.24 -3.58 118.16 119.06 3h76 n LYS 144 Ca 0.02 -0.25 0.08 0.00 -2.02 0.00 0.00 58.31 56.14 3h76 n LYS 144 Cb 0.21 -1.49 0.20 0.00 -0.02 0.00 0.00 35.03 33.92 3h76 n LYS 144 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3h76 n ARG 145 N -0.92 2.54 -2.76 1.97 1.74 -0.89 -5.00 116.66 113.35 3h76 n ARG 145 Ca 0.15 -2.59 -0.42 0.00 -0.77 0.00 0.00 57.85 54.21 3h76 n ARG 145 Cb 0.28 -1.63 -0.03 0.00 -1.02 0.00 0.00 32.46 30.06 3h76 n ARG 145 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3h76 s MET 146 N -2.47 4.28 -0.47 5.56 -1.94 -1.10 -4.71 119.30 118.45 3h76 s MET 146 Ca 0.35 1.22 -0.18 0.00 -1.71 0.00 0.00 55.69 55.36 3h76 s MET 146 Cb 0.28 -3.61 0.05 0.00 2.01 0.00 0.00 34.83 33.55 3h76 s MET 146 CO 0.08 -0.49 0.53 0.34 -0.01 0.00 0.00 175.02 175.47 3h76 s ASP 147 N 1.20 6.21 0.00 3.03 2.15 -1.26 -4.96 116.67 123.03 3h76 s ASP 147 Ca 0.42 -0.88 0.21 0.00 0.43 0.00 0.00 52.55 52.73 3h76 s ASP 147 Cb -0.16 -2.25 0.81 0.00 -0.30 0.00 0.00 42.92 41.02 3h76 s ASP 147 CO 0.10 -0.75 1.58 0.00 -0.17 0.00 0.00 175.17 175.94 3h76 s SER 149 N -1.61 3.75 0.53 0.00 1.04 -1.26 -4.54 113.70 111.60 3h76 s SER 149 Ca 0.33 1.47 0.20 0.00 0.48 0.00 0.00 55.95 58.42 3h76 s SER 149 Cb 0.17 -2.16 1.33 0.00 0.10 0.00 0.00 66.02 65.47 3h76 s SER 149 CO 0.27 -2.46 2.08 0.44 0.98 0.00 0.00 173.24 174.55 3h76 h ASP 150 N -1.43 0.00 -0.50 7.02 5.19 -1.96 -1.61 116.42 123.14 3h76 h ASP 150 Ca -0.49 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 55.98 3h76 h ASP 150 Cb 1.28 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.74 3h76 h ASP 150 CO 0.55 0.00 0.23 -0.09 -3.12 0.00 0.00 179.24 176.81 3h76 h ARG 151 N 0.00 0.43 -0.32 3.56 2.43 -1.90 -3.14 114.38 115.43 3h76 h ARG 151 Ca 0.11 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3h76 h ARG 151 Cb 0.45 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3h76 h ARG 151 CO -0.00 0.28 0.00 0.41 -1.51 0.00 0.00 179.97 179.15 3h76 n GLY 152 N -1.25 1.56 0.27 2.80 0.00 -0.65 -4.60 105.19 103.32 3h76 n GLY 152 Ca 0.05 -0.72 0.05 0.00 0.00 0.00 0.00 46.02 45.39 3h76 n GLY 152 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3h76 h ARG 153 N 4.45 0.19 -0.93 1.61 3.08 -1.39 -2.13 114.38 119.26 3h76 h ARG 153 Ca 0.00 -0.01 0.25 0.00 0.07 0.00 0.00 59.98 60.29 3h76 h ARG 153 Cb 0.97 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.93 3h76 h ARG 153 CO 0.00 0.13 0.64 -0.91 -1.07 0.00 0.00 179.97 178.76 3h76 h ASN 154 N 0.20 0.18 0.00 7.04 2.35 -1.83 -3.04 115.58 120.47 3h76 h ASN 154 Ca 0.40 0.02 -0.31 0.00 -0.55 0.00 0.00 56.30 55.86 3h76 h ASN 154 Cb 0.70 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 39.00 3h76 h ASN 154 CO -0.55 0.06 -2.18 -0.11 -1.65 0.00 0.00 177.43 172.99 3h76 n LEU 155 N -4.38 2.50 0.28 1.61 7.94 -0.98 -4.62 117.00 119.35 3h76 n LEU 155 Ca 0.20 -0.09 0.18 0.00 -1.11 0.00 0.00 56.01 55.18 3h76 n LEU 155 Cb 0.88 -0.55 0.71 0.00 0.53 0.00 0.00 43.42 45.00 3h76 n LEU 155 CO 0.35 0.78 1.00 0.77 -1.11 0.00 0.00 177.39 179.18 3h76 h SER 156 N 0.00 0.00 0.34 1.96 4.64 -1.29 -0.30 113.55 118.90 3h76 h SER 156 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3h76 h SER 156 Cb 1.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 3h76 h SER 156 CO -0.06 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.20 3h76 n ILE 157 N -3.09 0.38 -0.04 0.95 -5.35 -1.16 -3.55 119.36 107.49 3h76 n ILE 157 Ca 0.00 0.09 -0.03 0.00 -0.27 0.00 0.00 62.75 62.55 3h76 n ILE 157 Cb 0.29 -0.77 -0.08 0.00 -1.74 0.00 0.00 39.64 37.34 3h76 n ILE 157 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3h76 n LEU 158 N -1.26 0.00 -4.74 7.28 4.77 -0.13 -4.98 117.00 117.93 3h76 n LEU 158 Ca 0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.66 3h76 n LEU 158 Cb 0.15 0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 3h76 n LEU 158 CO 0.15 0.19 1.12 -0.76 -1.33 0.00 0.00 177.39 176.76 3h76 s LEU 159 N -4.52 4.38 0.22 2.23 1.43 -1.15 0.30 118.68 121.58 3h76 s LEU 159 Ca -0.05 2.66 -0.04 0.00 -1.03 0.00 0.00 54.13 55.67 3h76 s LEU 159 Cb 0.04 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 3h76 s LEU 159 CO 0.41 -0.72 0.25 -0.83 0.23 0.00 0.00 176.35 175.68 3h76 s GLY 160 N 0.47 1.20 0.14 -3.19 0.00 0.72 -4.74 107.32 101.91 3h76 s GLY 160 Ca 0.61 -1.46 0.08 0.00 0.00 0.00 0.00 44.72 43.94 3h76 s GLY 160 CO 0.42 -1.16 -0.09 0.99 0.00 0.00 0.00 173.10 173.25 3h76 s ASP 161 N -3.13 4.35 0.00 1.64 1.01 -0.59 -3.87 116.67 116.09 3h76 s ASP 161 Ca 0.34 -0.47 0.00 0.00 0.71 0.00 0.00 52.55 53.13 3h76 s ASP 161 Cb 0.04 -0.80 0.00 0.00 1.01 0.00 0.00 42.92 43.18 3h76 s ASP 161 CO 0.12 0.14 0.00 0.61 0.21 0.00 0.00 175.17 176.25 3h76 n GLY 162 N 0.39 1.41 2.97 0.21 0.00 -0.84 -4.50 105.19 104.83 3h76 n GLY 162 Ca -0.12 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.82 3h76 n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h76 s ALA 163 N -2.00 0.68 0.04 4.61 0.00 -0.48 -1.33 121.76 123.28 3h76 s ALA 163 Ca 0.00 -0.25 0.08 0.00 0.00 0.00 0.00 51.96 51.80 3h76 s ALA 163 Cb 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 3h76 s ALA 163 CO 0.00 0.11 -0.24 0.20 0.00 0.00 0.00 175.76 175.83 3h76 s GLY 164 N 0.19 1.45 0.01 0.00 0.00 -0.16 -0.83 107.32 107.97 3h76 s GLY 164 Ca -0.02 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.47 3h76 s GLY 164 CO 0.00 -1.11 -0.02 0.00 0.00 0.00 0.00 173.10 171.96 3h76 s ALA 165 N -0.82 0.15 -0.00 3.20 0.00 -0.08 -0.48 121.76 123.72 3h76 s ALA 165 Ca 0.12 -0.26 -0.00 0.00 0.00 0.00 0.00 51.96 51.82 3h76 s ALA 165 Cb -0.10 0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.04 3h76 s ALA 165 CO 0.03 -0.03 0.01 0.14 0.00 0.00 0.00 175.76 175.91 3h76 s VAL 166 N -0.52 0.01 -0.30 0.00 -7.23 -0.49 -0.99 120.40 110.87 3h76 s VAL 166 Ca -0.05 -0.12 -0.11 0.00 -1.81 0.00 0.00 61.98 59.89 3h76 s VAL 166 Cb -0.04 -0.06 -0.03 0.00 0.56 0.00 0.00 36.38 36.81 3h76 s VAL 166 CO -0.00 -0.07 0.20 -0.69 -0.31 0.00 0.00 175.10 174.23 3h76 s VAL 167 N -0.19 5.14 -0.07 1.32 1.01 0.09 -1.09 120.40 126.62 3h76 s VAL 167 Ca -0.02 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 3h76 s VAL 167 Cb -0.01 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 3h76 s VAL 167 CO -0.00 0.13 0.51 -0.69 0.00 0.00 0.00 175.10 175.05 3h76 s VAL 168 N 1.72 5.08 0.10 2.92 1.01 0.40 -0.51 120.40 131.12 3h76 s VAL 168 Ca 0.06 1.03 0.05 0.00 0.00 0.00 0.00 61.98 63.12 3h76 s VAL 168 Cb -0.17 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3h76 s VAL 168 CO 0.10 0.39 -0.12 -0.44 0.00 0.00 0.00 175.10 175.02 3h76 s SER 169 N 0.15 1.69 0.37 3.32 0.01 -0.49 -0.77 113.70 117.97 3h76 s SER 169 Ca 0.27 -0.78 -0.27 0.00 1.31 0.00 0.00 55.95 56.49 3h76 s SER 169 Cb -0.16 -0.03 -0.11 0.00 0.21 0.00 0.00 66.02 65.92 3h76 s SER 169 CO 0.13 -0.19 1.31 0.00 0.41 0.00 0.00 173.24 174.90 3h76 n ALA 170 N 0.68 1.42 -2.54 1.44 0.00 -1.07 -0.58 120.51 119.87 3h76 n ALA 170 Ca -0.17 0.33 -0.24 0.00 0.00 0.00 0.00 53.44 53.36 3h76 n ALA 170 Cb 0.57 -2.28 -0.08 0.00 0.00 0.00 0.00 19.45 17.66 3h76 n ALA 170 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3h76 s GLY 171 N -0.36 2.02 0.00 0.00 0.00 -1.13 -4.64 107.32 103.20 3h76 s GLY 171 Ca 0.57 -1.92 0.18 0.00 0.00 0.00 0.00 44.72 43.55 3h76 s GLY 171 CO 0.61 -1.86 0.87 -1.84 0.00 0.00 0.00 173.10 170.88 3h76 n GLU 172 N -0.99 1.51 -4.54 2.90 0.00 -1.26 -3.11 120.64 115.15 3h76 n GLU 172 Ca -0.04 -0.65 -0.23 0.00 0.00 0.00 0.00 57.16 56.24 3h76 n GLU 172 Cb 0.62 -1.32 -0.14 0.00 0.00 0.00 0.00 31.44 30.60 3h76 n GLU 172 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3h76 s SER 173 N -2.20 2.16 0.00 -1.84 0.15 -1.26 -4.57 113.70 106.14 3h76 s SER 173 Ca 0.13 -0.49 0.25 0.00 0.70 0.00 0.00 55.95 56.54 3h76 s SER 173 Cb 0.14 -0.17 0.56 0.00 -1.71 0.00 0.00 66.02 64.84 3h76 s SER 173 CO 0.51 0.12 1.45 0.18 1.20 0.00 0.00 173.24 176.70 3h76 n LEU 174 N 1.90 0.63 0.07 3.45 4.77 -1.26 -1.37 117.00 125.19 3h76 n LEU 174 Ca -0.17 -0.07 0.11 0.00 -0.03 0.00 0.00 56.01 55.85 3h76 n LEU 174 Cb 0.54 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 3h76 n LEU 174 CO 0.23 0.14 -0.11 -1.84 -1.33 0.00 0.00 177.39 174.48 3h76 n GLU 175 N -1.29 0.54 -2.70 3.23 0.28 -1.26 -4.94 120.64 114.49 3h76 n GLU 175 Ca 0.07 0.04 -0.07 0.00 -0.16 0.00 0.00 57.16 57.04 3h76 n GLU 175 Cb 0.34 -1.72 -0.02 0.00 1.43 0.00 0.00 31.44 31.47 3h76 n GLU 175 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3h76 n ASP 176 N -2.43 -0.41 0.00 -1.84 5.68 -1.26 -4.94 116.55 111.34 3h76 n ASP 176 Ca -0.00 -1.81 0.00 0.00 -0.50 0.00 0.00 54.79 52.48 3h76 n ASP 176 Cb 0.53 0.84 0.00 0.00 -1.14 0.00 0.00 41.12 41.34 3h76 n ASP 176 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h76 n GLY 177 N -0.24 -0.93 3.56 6.12 0.00 0.24 -4.58 105.19 109.35 3h76 n GLY 177 Ca 0.02 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 3h76 n GLY 177 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h76 s LEU 178 N 0.00 3.37 0.28 0.99 2.96 -0.90 -0.07 118.68 125.31 3h76 s LEU 178 Ca 0.00 -1.04 0.11 0.00 -0.22 0.00 0.00 54.13 52.97 3h76 s LEU 178 Cb 0.00 -2.57 0.38 0.00 0.50 0.00 0.00 46.19 44.50 3h76 s LEU 178 CO 0.00 -1.67 1.63 -0.07 -1.32 0.00 0.00 176.35 174.91 3h76 h LEU 179 N 13.06 0.00 -7.26 -0.68 4.07 -0.92 -3.43 115.31 120.14 3h76 h LEU 179 Ca 0.02 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.05 3h76 h LEU 179 Cb 1.03 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.65 3h76 h LEU 179 CO 1.37 0.60 0.35 -0.62 -1.08 0.00 0.00 178.44 179.06 3h76 s ASP 180 N -6.85 -0.39 -0.26 -0.43 2.15 -1.09 -5.00 116.67 104.80 3h76 s ASP 180 Ca -0.01 -0.16 -0.13 0.00 0.43 0.00 0.00 52.55 52.67 3h76 s ASP 180 Cb 0.13 0.53 0.09 0.00 -0.30 0.00 0.00 42.92 43.36 3h76 s ASP 180 CO 0.76 -0.90 0.63 -0.22 -0.17 0.00 0.00 175.17 175.27 3h76 s LEU 181 N -2.72 -0.85 -0.06 -1.34 2.96 -1.26 -1.44 118.68 113.97 3h76 s LEU 181 Ca 0.06 1.42 0.01 0.00 -0.22 0.00 0.00 54.13 55.39 3h76 s LEU 181 Cb -0.02 2.17 0.02 0.00 0.50 0.00 0.00 46.19 48.87 3h76 s LEU 181 CO -0.06 -0.23 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.56 3h76 s ARG 182 N 1.89 1.01 0.29 1.98 0.52 -0.29 -5.02 118.95 119.34 3h76 s ARG 182 Ca -0.09 -0.14 0.08 0.00 -0.52 0.00 0.00 55.73 55.07 3h76 s ARG 182 Cb -0.07 -1.03 -0.04 0.00 0.52 0.00 0.00 34.95 34.32 3h76 s ARG 182 CO -0.18 -0.12 0.11 -0.51 0.02 0.00 0.00 175.30 174.61 3h76 s LEU 183 N 1.14 3.37 0.31 2.53 1.43 -1.26 -1.40 118.68 124.79 3h76 s LEU 183 Ca -0.07 -0.60 -0.14 0.00 -1.03 0.00 0.00 54.13 52.29 3h76 s LEU 183 Cb -0.14 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.21 3h76 s LEU 183 CO -0.01 -0.13 0.63 -0.83 0.23 0.00 0.00 176.35 176.23 3h76 s GLY 184 N -3.79 0.47 -0.04 -3.19 0.00 -0.73 -4.96 107.32 95.07 3h76 s GLY 184 Ca 0.35 -0.79 -0.29 0.00 0.00 0.00 0.00 44.72 43.99 3h76 s GLY 184 CO 0.22 -0.45 0.82 0.00 0.00 0.00 0.00 173.10 173.69 3h76 s ALA 185 N -3.40 -1.81 -0.31 3.20 0.00 -1.26 -1.48 121.76 116.70 3h76 s ALA 185 Ca 0.19 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.37 3h76 s ALA 185 Cb -0.03 0.00 0.15 0.00 0.00 0.00 0.00 23.12 23.24 3h76 s ALA 185 CO 0.11 -0.48 0.34 0.34 0.00 0.00 0.00 175.76 176.07 3h76 s ASP 186 N -1.70 1.25 0.00 0.00 -1.08 0.82 -4.96 116.67 111.00 3h76 s ASP 186 Ca -0.03 -0.85 0.30 0.00 -0.52 0.00 0.00 52.55 51.45 3h76 s ASP 186 Cb -0.01 0.67 1.69 0.00 -1.46 0.00 0.00 42.92 43.81 3h76 s ASP 186 CO -0.00 -0.35 2.08 0.61 0.52 0.00 0.00 175.17 178.02 3h76 n GLY 187 N 5.09 -1.02 0.33 2.66 0.00 -1.26 -1.53 105.19 109.45 3h76 n GLY 187 Ca 0.01 -0.17 0.21 0.00 0.00 0.00 0.00 46.02 46.07 3h76 n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h76 h ASN 188 N 0.00 0.00 -0.58 1.61 2.35 -1.95 -2.30 115.58 114.71 3h76 h ASN 188 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h76 h ASN 188 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3h76 h ASN 188 CO 0.00 0.00 0.00 -1.22 -1.65 0.00 0.00 177.43 174.56 3h76 n TYR 189 N -3.26 1.59 -0.33 1.19 4.01 -0.58 -4.61 117.16 115.17 3h76 n TYR 189 Ca -0.03 -0.67 0.11 0.00 -0.16 0.00 0.00 57.90 57.15 3h76 n TYR 189 Cb 0.10 -0.33 0.23 0.00 -0.31 0.00 0.00 39.34 39.03 3h76 n TYR 189 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3h76 h PHE 190 N 3.79 -0.18 0.00 -0.72 3.57 -0.28 -1.89 116.94 121.23 3h76 h PHE 190 Ca 0.00 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3h76 h PHE 190 Cb 1.59 0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.57 3h76 h PHE 190 CO 0.83 -0.41 0.00 -0.44 -2.23 0.00 0.00 178.31 176.06 3h76 h ASP 191 N 0.02 0.00 -0.27 0.41 3.32 -1.85 -3.34 116.42 114.71 3h76 h ASP 191 Ca 0.54 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.61 3h76 h ASP 191 Cb 1.03 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 3h76 h ASP 191 CO -0.91 0.00 0.11 -0.07 -1.72 0.00 0.00 179.24 176.65 3h76 h LEU 192 N 0.00 0.15 -7.37 1.55 3.38 -1.66 -3.40 115.31 107.96 3h76 h LEU 192 Ca 0.00 0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.67 3h76 h LEU 192 Cb 0.09 -0.01 -0.36 0.00 0.09 0.00 0.00 40.66 40.47 3h76 h LEU 192 CO 0.00 0.12 -0.70 -0.22 0.09 0.00 0.00 178.44 177.73 3h76 s LEU 193 N -10.26 0.43 0.14 1.67 2.96 -1.25 -1.01 118.68 111.37 3h76 s LEU 193 Ca -0.13 0.14 -0.17 0.00 -0.22 0.00 0.00 54.13 53.75 3h76 s LEU 193 Cb 0.10 0.01 0.04 0.00 0.50 0.00 0.00 46.19 46.84 3h76 s LEU 193 CO 0.70 -0.20 0.45 0.00 -1.32 0.00 0.00 176.35 175.97 3h76 s MET 194 N 1.76 1.15 -0.24 1.98 0.23 -0.23 -4.55 119.30 119.41 3h76 s MET 194 Ca -0.01 -0.72 0.02 0.00 -1.03 0.00 0.00 55.69 53.95 3h76 s MET 194 Cb -0.12 0.49 0.05 0.00 -1.53 0.00 0.00 34.83 33.72 3h76 s MET 194 CO -0.04 -0.47 -0.11 0.99 -2.03 0.00 0.00 175.02 173.37 3h76 s THR 195 N -3.81 1.95 0.38 3.16 2.01 -1.26 0.46 115.64 118.53 3h76 s THR 195 Ca 0.04 -1.38 0.10 0.00 0.31 0.00 0.00 61.69 60.75 3h76 s THR 195 Cb 0.01 -2.05 0.14 0.00 0.01 0.00 0.00 72.50 70.61 3h76 s THR 195 CO -0.10 0.05 1.89 0.00 -0.69 0.00 0.00 174.62 175.77 3h76 h ALA 196 N 7.86 1.47 -2.87 7.40 0.00 -1.69 -3.46 119.26 127.96 3h76 h ALA 196 Ca -0.23 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.20 3h76 h ALA 196 Cb 1.07 -0.08 -0.19 0.00 0.00 0.00 0.00 17.79 18.58 3h76 h ALA 196 CO 0.47 0.38 -0.72 0.00 0.00 0.00 0.00 179.25 179.38 3h76 s ALA 197 N -4.63 0.64 0.47 0.00 0.00 -0.13 -4.18 121.76 113.94 3h76 s ALA 197 Ca -0.05 -0.92 -0.24 0.00 0.00 0.00 0.00 51.96 50.75 3h76 s ALA 197 Cb 0.15 0.09 -0.07 0.00 0.00 0.00 0.00 23.12 23.29 3h76 s ALA 197 CO 0.73 -0.10 1.30 -1.25 0.00 0.00 0.00 175.76 176.44 3h76 s PRO 198 N -2.25 3.61 -0.21 0.00 0.04 -1.26 -4.15 135.00 130.77 3h76 s PRO 198 Ca -0.04 2.10 -0.27 0.00 0.04 0.00 0.00 61.00 62.84 3h76 s PRO 198 Cb -0.05 -2.49 0.08 0.00 0.04 0.00 0.00 34.50 32.08 3h76 s PRO 198 CO -0.01 -0.77 0.75 0.20 0.04 0.00 0.00 177.00 177.21 3h76 s GLY 199 N -0.96 -0.50 0.00 0.56 0.00 -0.77 -4.98 107.32 100.68 3h76 s GLY 199 Ca 0.64 1.93 0.08 0.00 0.00 0.00 0.00 44.72 47.37 3h76 s GLY 199 CO 0.45 1.54 1.16 -1.14 0.00 0.00 0.00 173.10 175.12 3h76 n SER 200 N 2.13 0.00 0.22 1.64 3.41 -1.26 -2.34 113.62 117.42 3h76 n SER 200 Ca -0.15 0.23 0.11 0.00 -0.26 0.00 0.00 58.87 58.80 3h76 n SER 200 Cb 0.56 -0.33 0.29 0.00 -0.26 0.00 0.00 64.21 64.47 3h76 n SER 200 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h76 h ALA 201 N 2.37 0.94 -2.40 7.33 0.00 -1.93 -3.45 119.26 122.13 3h76 h ALA 201 Ca 0.00 -0.11 -0.47 0.00 0.00 0.00 0.00 54.91 54.33 3h76 h ALA 201 Cb 0.09 -0.02 0.08 0.00 0.00 0.00 0.00 17.79 17.94 3h76 h ALA 201 CO 0.00 0.15 0.29 -1.12 0.00 0.00 0.00 179.25 178.57 3h76 s SER 202 N -6.14 4.86 0.36 0.00 0.01 -0.99 -4.97 113.70 106.82 3h76 s SER 202 Ca 0.04 0.63 0.04 0.00 1.31 0.00 0.00 55.95 57.97 3h76 s SER 202 Cb 0.07 -1.28 0.67 0.00 0.21 0.00 0.00 66.02 65.69 3h76 s SER 202 CO 0.65 -1.60 1.96 -0.65 0.41 0.00 0.00 173.24 174.00 3h76 h PRO 203 N -0.68 0.62 -4.34 12.44 0.11 -1.87 -3.42 132.00 134.85 3h76 h PRO 203 Ca -0.45 -0.08 -0.16 0.00 0.11 0.00 0.00 66.00 65.42 3h76 h PRO 203 Cb 1.31 -0.12 -0.15 0.00 0.11 0.00 0.00 31.00 32.15 3h76 h PRO 203 CO 0.62 0.51 -0.65 0.95 -0.21 0.00 0.00 178.00 179.22 3h76 s THR 204 N -5.31 0.14 0.20 -1.15 -4.23 -1.26 -5.06 115.64 98.97 3h76 s THR 204 Ca -0.08 -1.86 -0.13 0.00 -1.18 0.00 0.00 61.69 58.44 3h76 s THR 204 Cb 0.17 -1.85 0.19 0.00 1.34 0.00 0.00 72.50 72.34 3h76 s THR 204 CO 0.76 -0.64 1.65 0.15 -0.54 0.00 0.00 174.62 175.99 3h76 h PHE 205 N 2.95 -0.18 -3.17 3.99 3.57 -1.83 -3.16 116.94 119.12 3h76 h PHE 205 Ca -0.35 0.05 -0.63 0.00 3.53 0.00 0.00 57.97 60.57 3h76 h PHE 205 Cb 1.18 0.17 -0.41 0.00 2.79 0.00 0.00 35.95 39.67 3h76 h PHE 205 CO 0.47 -0.20 -0.61 -0.51 -2.23 0.00 0.00 178.31 175.22 3h76 s LEU 206 N -10.73 4.45 -0.24 0.59 1.43 -1.26 -1.84 118.68 111.08 3h76 s LEU 206 Ca -0.14 -3.47 -0.12 0.00 -1.03 0.00 0.00 54.13 49.37 3h76 s LEU 206 Cb 0.18 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 3h76 s LEU 206 CO 0.73 -0.15 0.24 -0.62 0.23 0.00 0.00 176.35 176.78 3h76 s ASP 207 N -0.90 6.20 0.33 2.29 -1.08 -1.19 -5.03 116.67 117.28 3h76 s ASP 207 Ca 0.22 0.22 -0.29 0.00 -0.52 0.00 0.00 52.55 52.17 3h76 s ASP 207 Cb -0.13 -2.15 -0.12 0.00 -1.46 0.00 0.00 42.92 39.06 3h76 s ASP 207 CO -0.10 0.00 1.45 -0.62 0.52 0.00 0.00 175.17 176.43 3h76 n GLU 208 N 4.46 2.47 0.00 4.34 1.02 -1.26 -1.35 120.64 130.32 3h76 n GLU 208 Ca -0.13 0.87 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 3h76 n GLU 208 Cb 0.52 -2.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.37 3h76 n GLU 208 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h76 n ASN 209 N 1.13 0.00 -0.10 1.62 4.13 -1.26 -4.73 115.26 116.05 3h76 n ASN 209 Ca 0.05 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 56.07 3h76 n ASN 209 Cb 0.37 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.49 3h76 n ASN 209 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3h76 n VAL 210 N -2.00 1.56 -0.08 2.41 0.31 -0.98 -4.66 118.33 114.90 3h76 n VAL 210 Ca 0.00 -0.22 -0.13 0.00 -0.01 0.00 0.00 64.34 63.98 3h76 n VAL 210 Cb 0.00 -1.94 -0.05 0.00 -0.91 0.00 0.00 33.84 30.94 3h76 n VAL 210 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3h76 h LEU 211 N -0.83 0.59 -8.87 7.52 3.38 -1.50 0.92 115.31 116.51 3h76 h LEU 211 Ca -0.46 -0.48 -0.57 0.00 0.09 0.00 0.00 57.88 56.46 3h76 h LEU 211 Cb 1.50 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 42.02 3h76 h LEU 211 CO -0.23 0.95 0.95 -0.13 0.09 0.00 0.00 178.44 180.07 3h76 s ARG 212 N -4.33 3.84 0.00 1.13 1.81 -1.26 -1.84 118.95 118.30 3h76 s ARG 212 Ca -0.13 1.01 0.00 0.00 -1.72 0.00 0.00 55.73 54.88 3h76 s ARG 212 Cb 0.07 -3.88 0.00 0.00 -0.45 0.00 0.00 34.95 30.69 3h76 s ARG 212 CO 0.80 -1.21 0.00 0.39 -0.68 0.00 0.00 175.30 174.59 3h76 n GLU 213 N 7.48 0.00 -2.36 3.54 1.02 -1.26 -4.00 120.64 125.06 3h76 n GLU 213 Ca 0.14 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.24 3h76 n GLU 213 Cb 0.47 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.90 3h76 n GLU 213 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h76 n GLY 214 N -1.12 0.44 0.17 0.62 0.00 -0.77 -4.91 105.19 99.62 3h76 n GLY 214 Ca 0.00 -0.63 0.03 0.00 0.00 0.00 0.00 46.02 45.42 3h76 n GLY 214 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h76 h GLY 215 N -0.23 0.00 -1.78 -0.02 0.00 -0.90 -2.92 103.07 97.22 3h76 h GLY 215 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3h76 h GLY 215 CO 0.10 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.25 3h76 n GLY 216 N 0.33 1.36 3.68 4.60 0.00 -1.26 -0.96 105.19 112.95 3h76 n GLY 216 Ca -0.00 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 3h76 n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h76 s GLU 217 N -1.64 2.69 0.19 1.61 0.41 -1.10 -4.95 118.70 115.91 3h76 s GLU 217 Ca 0.27 -0.70 -0.32 0.00 -0.41 0.00 0.00 54.97 53.81 3h76 s GLU 217 Cb 0.17 -2.61 -0.15 0.00 -1.78 0.00 0.00 34.13 29.75 3h76 s GLU 217 CO 0.15 0.59 1.17 1.19 -0.49 0.00 0.00 175.26 177.86 3h76 n PHE 218 N 1.07 1.36 -3.91 1.61 3.72 -1.26 -4.53 117.46 115.52 3h76 n PHE 218 Ca -0.13 0.66 -0.35 0.00 -0.05 0.00 0.00 57.45 57.58 3h76 n PHE 218 Cb 0.52 -2.29 -0.14 0.00 -0.94 0.00 0.00 39.48 36.63 3h76 n PHE 218 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3h76 s LEU 219 N 0.60 3.03 -0.08 4.37 2.96 0.17 -4.96 118.68 124.77 3h76 s LEU 219 Ca 0.71 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 54.10 3h76 s LEU 219 Cb -0.82 -1.73 0.02 0.00 0.50 0.00 0.00 46.19 44.16 3h76 s LEU 219 CO 0.53 -0.06 -0.12 -0.32 -1.32 0.00 0.00 176.35 175.06 3h76 s MET 220 N 1.44 1.74 -0.97 1.98 1.75 -1.26 -1.07 119.30 122.91 3h76 s MET 220 Ca 0.04 -0.40 -0.17 0.00 -1.25 0.00 0.00 55.69 53.91 3h76 s MET 220 Cb -0.15 -1.53 0.15 0.00 2.84 0.00 0.00 34.83 36.14 3h76 s MET 220 CO -0.03 -0.06 1.14 1.03 -0.65 0.00 0.00 175.02 176.45 3h76 s ARG 221 N 0.97 3.70 0.16 4.11 3.00 -0.18 -4.95 118.95 125.76 3h76 s ARG 221 Ca -0.09 -2.02 -0.16 0.00 0.00 0.00 0.00 55.73 53.47 3h76 s ARG 221 Cb -0.15 -4.88 0.10 0.00 0.00 0.00 0.00 34.95 30.02 3h76 s ARG 221 CO -0.00 -1.71 1.70 0.78 0.00 0.00 0.00 175.30 176.08 3h76 h GLY 222 N 9.91 0.40 0.59 -3.53 0.00 -1.98 -2.04 103.07 106.42 3h76 h GLY 222 Ca 0.18 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 3h76 h GLY 222 CO 1.09 -0.09 -0.09 -0.09 0.00 0.00 0.00 176.54 177.37 3h76 h ARG 223 N 0.12 -0.23 -1.00 4.80 1.12 -1.98 -0.60 114.38 116.60 3h76 h ARG 223 Ca 0.19 0.02 0.19 0.00 -1.11 0.00 0.00 59.98 59.27 3h76 h ARG 223 Cb 0.26 0.05 -0.11 0.00 -0.01 0.00 0.00 29.97 30.17 3h76 h ARG 223 CO -0.31 0.14 0.60 -1.35 -3.11 0.00 0.00 179.97 175.94 3h76 h PRO 224 N -0.65 0.72 -0.28 0.20 0.11 -1.99 -2.13 132.00 127.97 3h76 h PRO 224 Ca -0.02 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.89 3h76 h PRO 224 Cb 0.47 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 3h76 h PRO 224 CO 0.04 0.48 -0.41 1.98 -0.21 0.00 0.00 178.00 179.88 3h76 h MET 225 N 0.74 0.77 -0.43 1.05 4.05 -1.19 -1.08 114.93 118.84 3h76 h MET 225 Ca 0.58 -0.45 0.08 0.00 -0.28 0.00 0.00 59.70 59.63 3h76 h MET 225 Cb 0.92 0.04 -0.07 0.00 -0.80 0.00 0.00 31.60 31.69 3h76 h MET 225 CO -0.39 1.08 0.01 0.35 0.23 0.00 0.00 176.91 178.19 3h76 h PHE 226 N 0.52 -0.01 0.79 1.39 3.57 -1.06 0.21 116.94 122.35 3h76 h PHE 226 Ca 0.03 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 3h76 h PHE 226 Cb 1.00 0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.82 3h76 h PHE 226 CO 0.08 -0.08 -0.38 0.93 -2.23 0.00 0.00 178.31 176.63 3h76 h GLU 227 N 0.12 -1.02 -0.85 1.11 4.39 -1.30 -1.58 114.58 115.45 3h76 h GLU 227 Ca 0.21 0.07 0.08 0.00 0.34 0.00 0.00 59.36 60.06 3h76 h GLU 227 Cb 0.31 0.23 -0.07 0.00 -0.10 0.00 0.00 28.75 29.12 3h76 h GLU 227 CO -0.35 -0.68 0.51 1.25 -1.16 0.00 0.00 179.01 178.58 3h76 h HIS 228 N -1.12 0.94 0.30 4.33 2.76 -1.23 -2.32 115.15 118.81 3h76 h HIS 228 Ca -0.11 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.08 3h76 h HIS 228 Cb 0.81 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.48 3h76 h HIS 228 CO 0.04 0.43 -0.14 0.00 -1.30 0.00 0.00 177.93 176.95 3h76 h ALA 229 N 1.44 -0.40 -0.40 5.26 0.00 -0.58 -0.55 119.26 124.02 3h76 h ALA 229 Ca 0.39 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3h76 h ALA 229 Cb 0.28 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3h76 h ALA 229 CO -0.21 -0.70 0.02 0.66 0.00 0.00 0.00 179.25 179.01 3h76 h SER 230 N -0.44 0.68 -0.28 0.00 4.64 -1.21 -0.22 113.55 116.72 3h76 h SER 230 Ca -0.04 -0.30 -0.16 0.00 -0.47 0.00 0.00 61.79 60.82 3h76 h SER 230 Cb 0.33 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3h76 h SER 230 CO 0.07 0.81 -0.45 1.56 -0.87 0.00 0.00 176.83 177.95 3h76 h GLN 231 N 0.54 0.84 -0.42 4.77 4.20 -1.44 -2.18 115.11 121.42 3h76 h GLN 231 Ca 0.12 -0.48 -0.03 0.00 0.06 0.00 0.00 58.65 58.32 3h76 h GLN 231 Cb 0.45 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 3h76 h GLN 231 CO 0.02 1.11 0.14 1.15 -0.67 0.00 0.00 178.83 180.58 3h76 h THR 232 N 0.68 1.22 -0.36 -0.54 2.02 -0.90 -1.78 112.91 113.24 3h76 h THR 232 Ca 0.04 -0.71 -0.04 0.00 0.77 0.00 0.00 66.41 66.48 3h76 h THR 232 Cb 1.03 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 3h76 h THR 232 CO 0.10 0.25 0.09 -0.07 0.37 0.00 0.00 175.52 176.26 3h76 h LEU 233 N 0.53 0.55 -0.13 2.58 3.38 -0.95 -2.44 115.31 118.83 3h76 h LEU 233 Ca 0.14 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.90 3h76 h LEU 233 Cb 0.25 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3h76 h LEU 233 CO -0.01 0.64 -0.00 0.58 0.09 0.00 0.00 178.44 179.74 3h76 h VAL 234 N 0.44 0.91 -0.41 1.22 2.07 -1.40 -2.53 116.25 116.55 3h76 h VAL 234 Ca 0.11 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.67 3h76 h VAL 234 Cb 0.30 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3h76 h VAL 234 CO 0.00 0.01 0.13 -0.09 0.02 0.00 0.00 177.57 177.64 3h76 h ARG 235 N 0.04 0.27 0.03 1.57 2.43 -1.12 -2.27 114.38 115.33 3h76 h ARG 235 Ca 0.06 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 59.00 3h76 h ARG 235 Cb 0.07 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 3h76 h ARG 235 CO -0.10 0.18 -1.00 -0.84 -1.51 0.00 0.00 179.97 176.69 3h76 h ILE 236 N 0.28 1.60 -0.40 1.20 3.07 -1.44 -1.33 117.51 120.49 3h76 h ILE 236 Ca 0.19 -3.07 0.07 0.00 1.55 0.00 0.00 64.86 63.60 3h76 h ILE 236 Cb 0.20 2.74 -0.06 0.00 -0.27 0.00 0.00 36.82 39.43 3h76 h ILE 236 CO -0.21 0.88 0.04 0.00 -1.05 0.00 0.00 178.15 177.82 3h76 h ALA 237 N 0.92 0.41 -0.38 0.16 0.00 -1.34 -0.85 119.26 118.17 3h76 h ALA 237 Ca -0.05 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3h76 h ALA 237 Cb 1.71 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 3h76 h ALA 237 CO 0.15 -0.36 0.18 0.78 0.00 0.00 0.00 179.25 180.00 3h76 h GLY 238 N 0.16 0.60 1.26 0.00 0.00 -0.76 -1.72 103.07 102.60 3h76 h GLY 238 Ca 0.20 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 3h76 h GLY 238 CO -0.29 0.29 -0.00 0.83 0.00 0.00 0.00 176.54 177.36 3h76 h GLU 239 N 0.48 0.90 -0.29 4.80 5.08 -1.24 0.74 114.58 125.04 3h76 h GLU 239 Ca 0.13 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 3h76 h GLU 239 Cb 0.13 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3h76 h GLU 239 CO -0.02 0.90 -0.01 1.98 -1.00 0.00 0.00 179.01 180.86 3h76 h MET 240 N 0.83 0.52 -0.43 2.33 4.05 -1.05 -1.48 114.93 119.69 3h76 h MET 240 Ca 0.16 -0.17 0.01 0.00 -0.28 0.00 0.00 59.70 59.42 3h76 h MET 240 Cb 0.50 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.23 3h76 h MET 240 CO 0.02 0.67 0.27 -0.07 0.23 0.00 0.00 176.91 178.04 3h76 h LEU 241 N 0.31 0.45 -0.74 3.39 4.07 -1.17 -3.14 115.31 118.48 3h76 h LEU 241 Ca 0.08 -0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.96 3h76 h LEU 241 Cb 0.45 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.06 3h76 h LEU 241 CO 0.02 0.32 0.11 0.00 -1.08 0.00 0.00 178.44 177.81 3h76 h ALA 242 N 1.18 0.95 -0.39 1.53 0.00 -0.78 -1.22 119.26 120.53 3h76 h ALA 242 Ca 0.17 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.91 3h76 h ALA 242 Cb -0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3h76 h ALA 242 CO -0.06 0.66 0.27 0.00 0.00 0.00 0.00 179.25 180.11 3h76 h ALA 243 N 1.10 2.24 -0.33 0.00 0.00 -1.22 -2.16 119.26 118.88 3h76 h ALA 243 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3h76 h ALA 243 Cb 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3h76 h ALA 243 CO 0.01 -0.34 0.00 0.72 0.00 0.00 0.00 179.25 179.64 3h76 n HIS 244 N -4.45 0.52 -2.96 0.00 -0.00 -1.05 -4.98 115.22 102.30 3h76 n HIS 244 Ca 0.06 -0.55 -0.22 0.00 -0.00 0.00 0.00 57.72 57.00 3h76 n HIS 244 Cb 0.40 -0.07 0.03 0.00 -0.00 0.00 0.00 29.99 30.35 3h76 n HIS 244 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3h76 n GLU 245 N 0.36 -4.46 -3.94 -0.41 1.02 -0.81 -5.00 120.64 107.39 3h76 n GLU 245 Ca 0.13 0.90 -0.31 0.00 -0.02 0.00 0.00 57.16 57.86 3h76 n GLU 245 Cb 0.49 -5.74 -0.04 0.00 -0.02 0.00 0.00 31.44 26.12 3h76 n GLU 245 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3h76 s LEU 246 N -6.61 4.27 0.64 -4.62 1.43 -0.49 -5.04 118.68 108.27 3h76 s LEU 246 Ca 0.27 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.60 3h76 s LEU 246 Cb -0.12 -2.86 0.08 0.00 0.03 0.00 0.00 46.19 43.31 3h76 s LEU 246 CO 0.34 0.18 0.90 0.28 0.23 0.00 0.00 176.35 178.27 3h76 s THR 247 N -1.48 2.39 0.45 5.49 -1.32 -1.26 -4.56 115.64 115.36 3h76 s THR 247 Ca 0.34 -0.58 0.11 0.00 -1.21 0.00 0.00 61.69 60.35 3h76 s THR 247 Cb -0.13 -2.82 0.26 0.00 -1.51 0.00 0.00 72.50 68.30 3h76 s THR 247 CO 0.26 0.00 2.08 -0.07 -2.21 0.00 0.00 174.62 174.69 3h76 h LEU 248 N -0.27 0.25 -1.31 9.08 3.38 -1.96 -2.95 115.31 121.52 3h76 h LEU 248 Ca -0.40 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.49 3h76 h LEU 248 Cb 1.29 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3h76 h LEU 248 CO 0.48 0.20 -0.32 0.44 0.09 0.00 0.00 178.44 179.33 3h76 h ASP 249 N 0.29 0.00 0.41 -0.43 3.32 -1.96 -3.00 116.42 115.04 3h76 h ASP 249 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3h76 h ASP 249 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3h76 h ASP 249 CO -0.01 0.32 0.00 0.47 -1.72 0.00 0.00 179.24 178.30 3h76 n ASP 250 N -3.87 0.00 -4.69 6.45 8.00 -1.11 -4.66 116.55 116.67 3h76 n ASP 250 Ca -0.01 0.49 -0.37 0.00 0.71 0.00 0.00 54.79 55.61 3h76 n ASP 250 Cb 0.40 -0.49 -0.08 0.00 -0.02 0.00 0.00 41.12 40.92 3h76 n ASP 250 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h76 s ILE 251 N -2.99 5.32 -0.21 0.53 -1.09 -1.14 -4.60 121.20 117.03 3h76 s ILE 251 Ca 0.06 0.37 0.12 0.00 -2.23 0.00 0.00 60.65 58.96 3h76 s ILE 251 Cb 0.08 -3.57 -0.21 0.00 -1.58 0.00 0.00 42.46 37.18 3h76 s ILE 251 CO 0.22 0.35 -0.03 0.47 -1.23 0.00 0.00 174.94 174.71 3h76 n ASP 252 N 4.08 0.94 -3.96 3.58 8.00 -0.38 -4.97 116.55 123.84 3h76 n ASP 252 Ca -0.13 -0.05 -0.17 0.00 0.71 0.00 0.00 54.79 55.16 3h76 n ASP 252 Cb 0.52 0.50 -0.15 0.00 -0.02 0.00 0.00 41.12 41.97 3h76 n ASP 252 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3h76 s HIS 253 N -2.47 0.56 -0.14 1.24 3.76 -1.09 -4.76 115.29 112.40 3h76 s HIS 253 Ca -0.18 -0.11 0.03 0.00 -0.15 0.00 0.00 55.06 54.65 3h76 s HIS 253 Cb 0.07 -0.38 0.01 0.00 1.11 0.00 0.00 32.58 33.38 3h76 s HIS 253 CO 0.70 -0.03 -0.22 0.08 -0.85 0.00 0.00 174.74 174.42 3h76 s VAL 254 N -0.00 2.10 -0.40 -0.90 1.01 0.11 -0.49 120.40 121.83 3h76 s VAL 254 Ca 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 60.92 3h76 s VAL 254 Cb -0.04 -1.84 0.06 0.00 0.00 0.00 0.00 36.38 34.57 3h76 s VAL 254 CO -0.00 0.55 0.23 -0.63 0.00 0.00 0.00 175.10 175.24 3h76 s ILE 255 N 0.75 4.22 -0.04 2.22 -1.09 0.33 -1.65 121.20 125.94 3h76 s ILE 255 Ca -0.08 -1.27 0.06 0.00 -2.23 0.00 0.00 60.65 57.13 3h76 s ILE 255 Cb -0.16 -3.52 -0.01 0.00 -1.58 0.00 0.00 42.46 37.19 3h76 s ILE 255 CO -0.00 -0.41 -0.23 0.00 -1.23 0.00 0.00 174.94 173.06 3h76 n HIS 257 N 2.83 0.52 -3.23 0.00 -0.00 -0.10 -4.93 115.22 110.31 3h76 n HIS 257 Ca -0.17 0.34 -0.25 0.00 0.46 0.00 0.00 57.72 58.11 3h76 n HIS 257 Cb 0.52 -0.99 -0.07 0.00 -0.12 0.00 0.00 29.99 29.33 3h76 n HIS 257 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3h76 n GLN 258 N 3.17 0.91 0.26 1.57 10.64 -1.26 -4.47 117.38 128.20 3h76 n GLN 258 Ca 0.23 -3.40 0.17 0.00 -1.83 0.00 0.00 57.00 52.17 3h76 n GLN 258 Cb -0.02 -1.36 0.65 0.00 -0.86 0.00 0.00 30.24 28.65 3h76 n GLN 258 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 3h76 h PRO 259 N 4.10 0.00 -3.32 2.61 0.13 -1.94 -3.42 132.00 130.16 3h76 h PRO 259 Ca 0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 3h76 h PRO 259 Cb 0.85 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.92 3h76 h PRO 259 CO 0.50 0.00 0.07 0.54 -0.23 0.00 0.00 178.00 178.88 3h76 s ASN 260 N -5.52 -0.11 0.38 1.44 2.20 -1.26 -4.53 114.94 107.54 3h76 s ASN 260 Ca 0.02 -0.84 0.21 0.00 -0.94 0.00 0.00 52.86 51.31 3h76 s ASN 260 Cb 0.09 0.68 0.24 0.00 -2.00 0.00 0.00 41.25 40.25 3h76 s ASN 260 CO 0.53 -1.29 1.52 0.25 -2.94 0.00 0.00 177.10 175.16 3h76 h LEU 261 N 2.11 0.00 -0.52 3.54 5.85 -1.16 -3.25 115.31 121.88 3h76 h LEU 261 Ca -0.24 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.32 3h76 h LEU 261 Cb 1.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 3h76 h LEU 261 CO 0.31 0.15 -0.67 0.03 -0.34 0.00 0.00 178.44 177.92 3h76 h ARG 262 N 0.00 0.32 -0.55 1.25 3.08 -1.87 -1.11 114.38 115.50 3h76 h ARG 262 Ca -0.00 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 59.70 3h76 h ARG 262 Cb 1.12 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 3h76 h ARG 262 CO 0.02 0.87 -0.04 0.82 -1.07 0.00 0.00 179.97 180.57 3h76 h ILE 263 N 0.23 1.26 -0.19 2.04 2.04 -1.93 0.61 117.51 121.57 3h76 h ILE 263 Ca -0.02 -1.17 -0.05 0.00 1.00 0.00 0.00 64.86 64.62 3h76 h ILE 263 Cb 1.21 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 3h76 h ILE 263 CO 0.11 0.42 -0.08 0.25 0.00 0.00 0.00 178.15 178.85 3h76 h LEU 264 N 0.89 0.40 -0.35 1.44 5.85 -1.63 -1.46 115.31 120.46 3h76 h LEU 264 Ca 0.15 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.51 3h76 h LEU 264 Cb 0.58 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 3h76 h LEU 264 CO 0.04 0.71 0.12 0.44 -0.34 0.00 0.00 178.44 179.41 3h76 h ASP 265 N 0.09 0.14 -0.05 1.25 3.45 -1.16 -0.09 116.42 120.05 3h76 h ASP 265 Ca 0.04 0.04 0.02 0.00 0.43 0.00 0.00 57.03 57.56 3h76 h ASP 265 Cb 0.55 0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.32 3h76 h ASP 265 CO 0.03 0.12 -0.08 0.00 -1.57 0.00 0.00 179.24 177.73 3h76 h ALA 266 N 1.22 -0.05 -0.35 3.45 0.00 -0.76 -0.61 119.26 122.17 3h76 h ALA 266 Ca 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3h76 h ALA 266 Cb 0.12 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3h76 h ALA 266 CO -0.16 -0.56 0.13 0.28 0.00 0.00 0.00 179.25 178.94 3h76 h VAL 267 N -0.12 1.20 0.04 0.00 2.07 -1.20 -1.79 116.25 116.44 3h76 h VAL 267 Ca 0.05 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 66.97 3h76 h VAL 267 Cb 0.19 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3h76 h VAL 267 CO -0.12 0.22 -0.16 -0.61 0.02 0.00 0.00 177.57 176.92 3h76 h GLN 268 N 0.41 -0.27 -0.75 1.57 -0.00 -0.95 -0.81 115.11 114.32 3h76 h GLN 268 Ca 0.11 0.02 -0.06 0.00 -0.00 0.00 0.00 58.65 58.72 3h76 h GLN 268 Cb 0.22 0.06 -0.03 0.00 0.00 0.00 0.00 27.48 27.72 3h76 h GLN 268 CO -0.01 -0.18 0.23 1.49 0.00 0.00 0.00 178.83 180.36 3h76 h GLU 269 N -0.28 1.17 -0.13 1.69 4.57 -1.04 -1.98 114.58 118.58 3h76 h GLU 269 Ca 0.04 -0.25 -0.03 0.00 -1.18 0.00 0.00 59.36 57.94 3h76 h GLU 269 Cb 0.32 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3h76 h GLU 269 CO -0.12 0.99 -0.02 1.96 -1.18 0.00 0.00 179.01 180.64 3h76 h GLN 270 N 1.12 0.25 0.00 1.92 4.20 -1.19 -3.11 115.11 118.30 3h76 h GLN 270 Ca 0.24 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.83 3h76 h GLN 270 Cb 0.32 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3h76 h GLN 270 CO -0.01 0.52 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.44 3h76 h LEU 271 N -0.04 0.00 0.36 1.46 3.38 -1.10 -3.47 115.31 115.90 3h76 h LEU 271 Ca 0.04 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3h76 h LEU 271 Cb 0.42 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3h76 h LEU 271 CO 0.01 0.17 -0.10 0.61 0.09 0.00 0.00 178.44 179.22 3h76 n GLY 272 N -1.02 0.56 3.77 0.83 0.00 -0.75 -5.02 105.19 103.56 3h76 n GLY 272 Ca -0.02 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 3h76 n GLY 272 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h76 s ILE 273 N -2.19 4.93 0.56 -0.61 1.01 -1.23 -5.03 121.20 118.64 3h76 s ILE 273 Ca 0.00 1.20 -0.20 0.00 0.00 0.00 0.00 60.65 61.64 3h76 s ILE 273 Cb 0.00 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.51 3h76 s ILE 273 CO 0.00 0.43 1.10 -2.65 0.00 0.00 0.00 174.94 173.82 3h76 n PRO 274 N 2.71 1.22 -0.22 2.79 -0.02 -1.26 -4.80 135.00 135.42 3h76 n PRO 274 Ca -0.07 0.46 -0.05 0.00 -2.02 0.00 0.00 63.50 61.82 3h76 n PRO 274 Cb 0.51 -2.28 0.06 0.00 -0.02 0.00 0.00 33.50 31.77 3h76 n PRO 274 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3h76 h GLN 275 N 0.95 0.75 0.00 -0.52 4.20 -1.96 -2.08 115.11 116.45 3h76 h GLN 275 Ca -0.49 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.18 3h76 h GLN 275 Cb 1.34 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.95 3h76 h GLN 275 CO 0.54 0.50 0.00 -2.39 -0.67 0.00 0.00 178.83 176.80 3h76 n HIS 276 N -4.71 0.37 0.82 2.96 1.44 -1.26 -1.87 115.22 112.97 3h76 n HIS 276 Ca 0.06 0.17 0.13 0.00 -2.01 0.00 0.00 57.72 56.07 3h76 n HIS 276 Cb 0.07 -0.78 0.47 0.00 0.12 0.00 0.00 29.99 29.87 3h76 n HIS 276 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3h76 n LYS 277 N -1.86 0.12 -3.26 -1.40 5.02 -0.78 -4.80 118.16 111.20 3h76 n LYS 277 Ca 0.00 0.09 -0.40 0.00 -2.02 0.00 0.00 58.31 55.99 3h76 n LYS 277 Cb 0.08 -1.63 -0.07 0.00 -0.02 0.00 0.00 35.03 33.38 3h76 n LYS 277 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3h76 s PHE 278 N -3.05 3.30 -0.05 2.13 0.08 -0.78 -0.71 117.98 118.89 3h76 s PHE 278 Ca 0.12 0.65 -0.30 0.00 0.12 0.00 0.00 56.93 57.52 3h76 s PHE 278 Cb 0.16 -2.68 -0.04 0.00 -0.57 0.00 0.00 43.02 39.89 3h76 s PHE 278 CO 0.59 -0.21 1.32 0.00 -0.10 0.00 0.00 175.22 176.81 3h76 s ALA 279 N 2.05 3.56 -0.20 5.36 0.00 -0.66 -4.97 121.76 126.91 3h76 s ALA 279 Ca 0.21 0.73 -0.06 0.00 0.00 0.00 0.00 51.96 52.84 3h76 s ALA 279 Cb -0.15 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 3h76 s ALA 279 CO 0.09 -0.91 0.02 0.08 0.00 0.00 0.00 175.76 175.03 3h76 s VAL 280 N 2.56 4.14 0.00 0.00 1.01 -1.26 -4.69 120.40 122.16 3h76 s VAL 280 Ca 0.60 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.33 3h76 s VAL 280 Cb -0.28 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3h76 s VAL 280 CO 0.23 0.43 0.00 0.35 0.00 0.00 0.00 175.10 176.11 3h76 n THR 281 N 4.14 0.00 0.11 3.92 -2.24 -1.26 -4.85 114.28 114.11 3h76 n THR 281 Ca -0.17 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 61.81 3h76 n THR 281 Cb 0.52 -0.05 0.76 0.00 -2.10 0.00 0.00 70.33 69.46 3h76 n THR 281 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3h76 h VAL 282 N 0.00 0.41 -0.26 2.28 3.04 -1.81 -0.71 116.25 119.19 3h76 h VAL 282 Ca 0.00 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.50 3h76 h VAL 282 Cb 0.25 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 3h76 h VAL 282 CO 0.00 0.00 -0.60 -2.24 -1.01 0.00 0.00 177.57 173.72 3h76 h ASP 283 N 0.00 0.97 0.35 3.17 2.03 -1.87 -0.02 116.42 121.04 3h76 h ASP 283 Ca 0.17 -0.54 -0.21 0.00 -0.73 0.00 0.00 57.03 55.71 3h76 h ASP 283 Cb 0.95 -0.28 -0.04 0.00 -0.83 0.00 0.00 39.33 39.13 3h76 h ASP 283 CO -0.00 1.34 -1.84 0.54 -1.03 0.00 0.00 179.24 178.25 3h76 n ARG 284 N -3.99 0.65 -0.00 4.15 1.74 -0.74 -0.29 116.66 118.17 3h76 n ARG 284 Ca -0.05 0.09 0.07 0.00 -0.77 0.00 0.00 57.85 57.18 3h76 n ARG 284 Cb 0.66 -1.67 -0.09 0.00 -1.02 0.00 0.00 32.46 30.33 3h76 n ARG 284 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3h76 n LEU 285 N -2.75 0.27 0.00 0.55 4.32 -0.35 -3.59 117.00 115.45 3h76 n LEU 285 Ca -0.17 -0.22 0.00 0.00 -0.02 0.00 0.00 56.01 55.61 3h76 n LEU 285 Cb 0.91 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.71 3h76 n LEU 285 CO 0.44 0.07 0.00 0.61 -1.22 0.00 0.00 177.39 177.28 3h76 n GLY 286 N 1.55 -1.24 3.55 -0.72 0.00 -0.02 -4.24 105.19 104.06 3h76 n GLY 286 Ca -0.00 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 3h76 n GLY 286 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3h76 s ASN 287 N -4.00 6.35 -0.30 1.61 2.47 0.15 -4.46 114.94 116.76 3h76 s ASN 287 Ca 0.00 -0.08 0.11 0.00 0.42 0.00 0.00 52.86 53.30 3h76 s ASN 287 Cb 0.00 -2.30 0.66 0.00 -1.45 0.00 0.00 41.25 38.15 3h76 s ASN 287 CO 0.00 -0.62 1.68 0.23 -3.72 0.00 0.00 177.10 174.67 3h76 n MET 288 N 6.01 3.10 0.00 0.43 2.81 -1.26 -0.20 117.12 128.01 3h76 n MET 288 Ca -0.03 -3.06 0.00 0.00 -1.81 0.00 0.00 57.70 52.81 3h76 n MET 288 Cb 0.48 -2.07 0.00 0.00 -0.71 0.00 0.00 33.22 30.93 3h76 n MET 288 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3h76 n ALA 289 N -0.49 0.00 0.27 3.04 0.00 -1.26 -2.06 120.51 120.00 3h76 n ALA 289 Ca 0.37 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.99 3h76 n ALA 289 Cb 1.25 0.00 0.92 0.00 0.00 0.00 0.00 19.45 21.62 3h76 n ALA 289 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h76 h SER 290 N 0.04 0.00 0.91 0.00 4.64 -1.84 -0.87 113.55 116.43 3h76 h SER 290 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3h76 h SER 290 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3h76 h SER 290 CO 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 176.83 175.76 3h76 h ALA 291 N 1.73 1.03 -0.19 5.18 0.00 -1.64 -3.35 119.26 122.02 3h76 h ALA 291 Ca 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3h76 h ALA 291 Cb 0.41 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3h76 h ALA 291 CO -0.00 0.25 0.06 0.77 0.00 0.00 0.00 179.25 180.33 3h76 h SER 292 N 0.00 0.28 0.60 0.00 0.02 -1.27 -1.60 113.55 111.57 3h76 h SER 292 Ca -0.00 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 3h76 h SER 292 Cb 0.70 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 63.18 3h76 h SER 292 CO 0.03 0.40 -0.29 0.74 -1.14 0.00 0.00 176.83 176.57 3h76 h THR 293 N 0.14 0.40 0.00 -2.27 2.02 -1.76 -0.10 112.91 111.34 3h76 h THR 293 Ca 0.06 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 3h76 h THR 293 Cb 0.22 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3h76 h THR 293 CO -0.00 0.01 -0.25 1.55 0.37 0.00 0.00 175.52 177.19 3h76 h PRO 294 N -0.84 0.00 -0.14 6.66 0.13 -1.73 -1.20 132.00 134.88 3h76 h PRO 294 Ca -0.08 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.85 3h76 h PRO 294 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 3h76 h PRO 294 CO 0.13 0.25 -0.72 -0.39 -0.23 0.00 0.00 178.00 177.05 3h76 h VAL 295 N 0.00 1.32 -0.72 1.56 -1.51 -1.17 0.11 116.25 115.83 3h76 h VAL 295 Ca -0.00 -1.99 0.04 0.00 -1.23 0.00 0.00 66.70 63.51 3h76 h VAL 295 Cb 0.76 1.97 -0.05 0.00 -2.13 0.00 0.00 31.29 31.85 3h76 h VAL 295 CO 0.03 0.62 0.45 0.74 -1.23 0.00 0.00 177.57 178.18 3h76 h THR 296 N 0.45 1.07 -0.34 7.19 2.02 -0.77 0.49 112.91 123.02 3h76 h THR 296 Ca -0.03 -0.30 -0.11 0.00 0.77 0.00 0.00 66.41 66.75 3h76 h THR 296 Cb 1.32 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3h76 h THR 296 CO 0.14 0.16 -0.20 0.25 0.37 0.00 0.00 175.52 176.24 3h76 h LEU 297 N 0.86 0.76 -0.30 2.58 5.85 -1.17 -1.63 115.31 122.26 3h76 h LEU 297 Ca 0.30 -0.42 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 3h76 h LEU 297 Cb 0.06 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3h76 h LEU 297 CO -0.13 1.02 -0.05 0.00 -0.34 0.00 0.00 178.44 178.94 3h76 h ALA 298 N 0.77 0.42 -0.86 1.25 0.00 -0.64 -1.68 119.26 118.52 3h76 h ALA 298 Ca 0.07 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.75 3h76 h ALA 298 Cb 0.75 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 3h76 h ALA 298 CO 0.06 0.22 0.56 0.52 0.00 0.00 0.00 179.25 180.61 3h76 h MET 299 N 0.35 1.03 -0.01 0.00 2.86 0.18 -2.99 114.93 116.34 3h76 h MET 299 Ca 0.08 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3h76 h MET 299 Cb 0.52 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.95 3h76 h MET 299 CO 0.03 0.68 -0.37 1.19 1.06 0.00 0.00 176.91 179.50 3h76 n PHE 300 N -4.45 0.00 -0.33 -0.22 3.72 -0.63 -4.46 117.46 111.09 3h76 n PHE 300 Ca 0.11 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.65 3h76 n PHE 300 Cb 0.11 -0.04 0.33 0.00 -0.94 0.00 0.00 39.48 38.95 3h76 n PHE 300 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 176.76 179.06 3h76 h TRP 301 N 2.20 0.92 0.00 1.38 2.91 -1.14 0.51 115.95 122.72 3h76 h TRP 301 Ca 0.00 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.06 3h76 h TRP 301 Cb 0.69 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 29.08 3h76 h TRP 301 CO 0.00 0.10 0.00 -1.35 -1.03 0.00 0.00 178.44 176.16 3h76 h PRO 302 N 0.60 0.00 0.00 2.65 0.11 -1.81 -1.95 132.00 131.60 3h76 h PRO 302 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 3h76 h PRO 302 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3h76 h PRO 302 CO -0.45 0.00 -0.72 -0.44 -0.21 0.00 0.00 178.00 176.18 3h76 h ASP 303 N 0.00 0.00 -3.33 -2.05 3.32 -1.22 -3.44 116.42 109.70 3h76 h ASP 303 Ca 0.00 -0.15 -0.57 0.00 0.02 0.00 0.00 57.03 56.32 3h76 h ASP 303 Cb 0.13 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.61 3h76 h ASP 303 CO 0.00 0.08 0.82 -0.63 -1.72 0.00 0.00 179.24 177.79 3h76 s ILE 304 N -3.22 4.51 0.35 0.35 1.01 -0.73 -5.01 121.20 118.45 3h76 s ILE 304 Ca 0.04 1.68 0.01 0.00 0.00 0.00 0.00 60.65 62.39 3h76 s ILE 304 Cb 0.12 -4.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 3h76 s ILE 304 CO 0.74 -0.49 0.54 -1.10 0.00 0.00 0.00 174.94 174.63 3h76 s GLN 305 N 3.65 3.40 0.26 2.79 -0.21 -1.26 -4.97 119.66 123.31 3h76 s GLN 305 Ca 0.45 -0.45 -0.31 0.00 0.02 0.00 0.00 55.36 55.07 3h76 s GLN 305 Cb -0.12 -2.68 -0.13 0.00 1.00 0.00 0.00 33.01 31.07 3h76 s GLN 305 CO 0.16 0.12 1.39 -0.35 -2.12 0.00 0.00 175.29 174.49 3h76 n PRO 306 N -1.77 2.06 -0.63 2.91 -0.04 -1.26 -1.12 135.00 135.14 3h76 n PRO 306 Ca -0.04 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 3h76 n PRO 306 Cb 0.57 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 3h76 n PRO 306 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h76 n GLY 307 N 1.93 1.35 3.79 0.55 0.00 0.05 -4.99 105.19 107.87 3h76 n GLY 307 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3h76 n GLY 307 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h76 s GLN 308 N -0.12 3.84 -0.18 1.61 -0.21 -0.28 -4.75 119.66 119.58 3h76 s GLN 308 Ca 0.00 1.44 -0.07 0.00 0.02 0.00 0.00 55.36 56.75 3h76 s GLN 308 Cb 0.00 -2.20 -0.04 0.00 1.00 0.00 0.00 33.01 31.77 3h76 s GLN 308 CO 0.00 -0.41 0.05 1.03 -2.12 0.00 0.00 175.29 173.84 3h76 s ARG 309 N -3.04 3.92 -0.11 2.91 0.52 -1.26 -2.08 118.95 119.80 3h76 s ARG 309 Ca 0.65 -0.37 0.01 0.00 -0.52 0.00 0.00 55.73 55.51 3h76 s ARG 309 Cb -0.19 -3.16 -0.02 0.00 0.52 0.00 0.00 34.95 32.10 3h76 s ARG 309 CO 0.23 0.28 -0.14 0.08 0.02 0.00 0.00 175.30 175.77 3h76 s VAL 310 N 0.33 2.96 -0.19 3.52 1.01 -0.20 -1.25 120.40 126.58 3h76 s VAL 310 Ca 0.02 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 3h76 s VAL 310 Cb -0.13 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 3h76 s VAL 310 CO 0.01 0.54 -0.02 -0.22 0.00 0.00 0.00 175.10 175.41 3h76 s LEU 311 N 0.12 3.19 -0.13 3.92 2.96 0.35 -1.90 118.68 127.18 3h76 s LEU 311 Ca -0.07 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.62 3h76 s LEU 311 Cb -0.15 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 3h76 s LEU 311 CO 0.05 0.08 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.35 3h76 s VAL 312 N 0.92 3.18 -0.10 1.68 1.01 -0.74 -0.52 120.40 125.85 3h76 s VAL 312 Ca 0.01 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 3h76 s VAL 312 Cb -0.14 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 33.92 3h76 s VAL 312 CO 0.02 0.52 -0.01 -0.76 0.00 0.00 0.00 175.10 174.86 3h76 s LEU 313 N 0.36 0.81 0.25 3.92 1.43 0.10 -0.77 118.68 124.78 3h76 s LEU 313 Ca -0.10 -0.23 0.11 0.00 -1.03 0.00 0.00 54.13 52.88 3h76 s LEU 313 Cb -0.16 -0.56 -0.05 0.00 0.03 0.00 0.00 46.19 45.46 3h76 s LEU 313 CO 0.05 -0.19 -0.12 0.42 0.23 0.00 0.00 176.35 176.74 3h76 s THR 314 N 1.89 2.91 0.01 5.49 -4.23 0.22 -0.92 115.64 121.02 3h76 s THR 314 Ca 0.04 -2.08 -0.18 0.00 -1.18 0.00 0.00 61.69 58.30 3h76 s THR 314 Cb -0.13 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 71.23 3h76 s THR 314 CO -0.06 -0.31 0.39 -0.47 -0.54 0.00 0.00 174.62 173.62 3h76 s TYR 315 N -2.23 -0.26 0.06 3.99 5.04 -1.26 -2.46 117.35 120.24 3h76 s TYR 315 Ca 0.29 0.32 -0.19 0.00 -2.44 0.00 0.00 57.07 55.05 3h76 s TYR 315 Cb -0.06 0.17 0.04 0.00 0.35 0.00 0.00 41.96 42.46 3h76 s TYR 315 CO 0.16 -0.49 0.43 0.20 -1.34 0.00 0.00 175.55 174.51 3h76 s GLY 316 N -1.62 -0.30 0.41 8.97 0.00 -0.78 -4.02 107.32 109.97 3h76 s GLY 316 Ca -0.09 0.31 -0.21 0.00 0.00 0.00 0.00 44.72 44.72 3h76 s GLY 316 CO 0.02 0.04 0.20 -1.26 0.00 0.00 0.00 173.10 172.10 3h76 n SER 317 N 0.39 -2.38 0.00 1.64 2.88 -1.26 -2.19 113.62 112.70 3h76 n SER 317 Ca -0.18 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 3h76 n SER 317 Cb 0.60 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 3h76 n SER 317 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h76 n GLY 318 N 2.20 1.59 3.86 0.46 0.00 -1.26 -3.78 105.19 108.26 3h76 n GLY 318 Ca 0.11 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 3h76 n GLY 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h76 s ALA 319 N -0.62 3.33 0.18 4.61 0.00 -0.73 -0.65 121.76 127.89 3h76 s ALA 319 Ca 0.00 -0.09 0.08 0.00 0.00 0.00 0.00 51.96 51.96 3h76 s ALA 319 Cb 0.00 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 3h76 s ALA 319 CO 0.00 0.14 -0.16 0.95 0.00 0.00 0.00 175.76 176.68 3h76 s THR 320 N -2.21 1.79 0.29 0.00 -4.23 -0.93 -0.13 115.64 110.22 3h76 s THR 320 Ca 0.53 -2.06 -0.14 0.00 -1.18 0.00 0.00 61.69 58.84 3h76 s THR 320 Cb -0.10 -1.93 0.01 0.00 1.34 0.00 0.00 72.50 71.82 3h76 s THR 320 CO 0.25 -0.45 0.59 -1.66 -0.54 0.00 0.00 174.62 172.82 3h76 s TRP 321 N -2.47 0.26 -0.21 3.99 -2.14 -0.55 -1.86 118.94 115.96 3h76 s TRP 321 Ca 0.19 -0.68 -0.28 0.00 2.66 0.00 0.00 56.10 57.99 3h76 s TRP 321 Cb -0.04 0.39 0.12 0.00 -3.10 0.00 0.00 33.47 30.85 3h76 s TRP 321 CO 0.07 -1.16 0.96 0.20 -2.66 0.00 0.00 176.95 174.36 3h76 s GLY 322 N -3.03 -0.26 -0.05 3.67 0.00 -1.03 -1.78 107.32 104.85 3h76 s GLY 322 Ca 0.19 2.25 0.02 0.00 0.00 0.00 0.00 44.72 47.19 3h76 s GLY 322 CO 0.10 1.43 -0.10 0.00 0.00 0.00 0.00 173.10 174.54 3h76 s ALA 323 N -0.42 1.01 0.01 3.20 0.00 -0.49 -0.61 121.76 124.47 3h76 s ALA 323 Ca -0.00 -0.31 0.07 0.00 0.00 0.00 0.00 51.96 51.72 3h76 s ALA 323 Cb -0.03 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 3h76 s ALA 323 CO -0.01 0.10 -0.20 0.00 0.00 0.00 0.00 175.76 175.65 3h76 s ALA 324 N 0.58 2.49 -0.13 0.00 0.00 0.05 -1.13 121.76 123.62 3h76 s ALA 324 Ca -0.11 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.73 3h76 s ALA 324 Cb -0.14 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.27 3h76 s ALA 324 CO 0.02 0.56 -0.20 -1.17 0.00 0.00 0.00 175.76 174.96 3h76 s LEU 325 N -1.14 2.23 -0.02 0.00 2.96 -0.52 -1.78 118.68 120.41 3h76 s LEU 325 Ca 0.13 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 3h76 s LEU 325 Cb -0.10 -1.47 -0.00 0.00 0.50 0.00 0.00 46.19 45.11 3h76 s LEU 325 CO 0.03 0.11 -0.09 -0.47 -1.32 0.00 0.00 176.35 174.61 3h76 s TYR 326 N 0.65 0.90 -0.13 5.38 5.04 -0.80 -0.25 117.35 128.14 3h76 s TYR 326 Ca -0.10 -0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.32 3h76 s TYR 326 Cb -0.16 -0.62 0.02 0.00 0.35 0.00 0.00 41.96 41.55 3h76 s TYR 326 CO 0.02 -0.07 -0.11 0.50 -1.34 0.00 0.00 175.55 174.55 3h76 s ARG 327 N 0.06 1.87 0.33 4.97 3.52 0.90 -1.04 118.95 129.57 3h76 s ARG 327 Ca -0.01 -0.39 -0.28 0.00 -0.13 0.00 0.00 55.73 54.92 3h76 s ARG 327 Cb -0.07 -1.80 -0.10 0.00 -1.56 0.00 0.00 34.95 31.42 3h76 s ARG 327 CO 0.00 -0.24 1.25 0.15 -0.81 0.00 0.00 175.30 175.65 3h76 s LYS 328 N 1.56 4.35 0.00 5.12 1.02 -0.89 0.81 119.74 131.72 3h76 s LYS 328 Ca 0.04 2.09 0.07 0.00 0.02 0.00 0.00 55.97 58.19 3h76 s LYS 328 Cb -0.13 -3.03 0.41 0.00 -0.52 0.00 0.00 37.83 34.57 3h76 s LYS 328 CO -0.09 -0.15 0.87 -2.30 -0.92 0.00 0.00 175.35 172.77