#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h24 n MET 1 N 0.00 1.36 -0.37 1.43 2.81 -1.26 -4.21 117.12 116.89 1h24 n MET 1 Ca 0.00 -0.54 0.03 0.00 -1.81 0.00 0.00 57.70 55.37 1h24 n MET 1 Cb 0.00 -1.37 0.18 0.00 -0.71 0.00 0.00 33.22 31.31 1h24 n MET 1 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1h24 h GLU 2 N 1.14 1.14 -0.00 0.03 4.81 -2.06 -2.04 114.58 117.61 1h24 h GLU 2 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1h24 h GLU 2 Cb 0.25 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1h24 h GLU 2 CO 0.00 0.76 -0.01 0.09 -0.73 0.00 0.00 179.01 179.12 1h24 n ASN 3 N -4.50 0.24 -4.63 1.04 3.02 -1.26 -4.76 115.26 104.40 1h24 n ASN 3 Ca 0.16 -0.98 -0.35 0.00 -0.03 0.00 0.00 54.58 53.38 1h24 n ASN 3 Cb 0.19 -0.03 -0.10 0.00 -0.61 0.00 0.00 39.78 39.23 1h24 n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1h24 s PHE 4 N -2.07 3.21 -0.28 3.10 0.08 -0.77 0.15 117.98 121.39 1h24 s PHE 4 Ca 0.44 0.05 -0.08 0.00 0.12 0.00 0.00 56.93 57.47 1h24 s PHE 4 Cb 0.22 -1.98 -0.01 0.00 -0.57 0.00 0.00 43.02 40.68 1h24 s PHE 4 CO 0.38 0.23 0.09 -1.14 -0.10 0.00 0.00 175.22 174.68 1h24 s GLN 5 N -0.02 3.36 0.16 0.44 2.00 0.22 -4.93 119.66 120.89 1h24 s GLN 5 Ca 0.05 -0.68 -0.31 0.00 -2.00 0.00 0.00 55.36 52.42 1h24 s GLN 5 Cb -0.12 -3.40 -0.09 0.00 0.80 0.00 0.00 33.01 30.20 1h24 s GLN 5 CO 0.01 -0.34 1.38 0.15 -0.50 0.00 0.00 175.29 176.00 1h24 s LYS 6 N 1.57 4.33 -0.24 1.67 1.02 -1.26 -1.54 119.74 125.29 1h24 s LYS 6 Ca 0.05 2.12 -0.04 0.00 0.02 0.00 0.00 55.97 58.11 1h24 s LYS 6 Cb -0.16 -3.21 -0.13 0.00 -0.52 0.00 0.00 37.83 33.81 1h24 s LYS 6 CO 0.04 -0.39 -0.26 0.28 -0.92 0.00 0.00 175.35 174.10 1h24 n VAL 7 N 3.33 1.36 -3.63 3.17 0.31 -0.30 -4.95 118.33 117.62 1h24 n VAL 7 Ca 0.09 -0.45 -0.05 0.00 -0.01 0.00 0.00 64.34 63.93 1h24 n VAL 7 Cb 0.42 -1.55 -0.06 0.00 -0.91 0.00 0.00 33.84 31.74 1h24 n VAL 7 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1h24 s GLU 8 N -2.47 0.23 0.52 5.55 -1.05 -1.17 -4.97 118.70 115.35 1h24 s GLU 8 Ca -0.33 0.18 -0.21 0.00 -0.15 0.00 0.00 54.97 54.45 1h24 s GLU 8 Cb 0.10 0.11 -0.06 0.00 -0.44 0.00 0.00 34.13 33.85 1h24 s GLU 8 CO 0.50 -0.05 1.21 0.21 0.95 0.00 0.00 175.26 178.08 1h24 s LYS 9 N -0.34 3.39 0.00 -4.83 2.20 -1.26 -0.61 119.74 118.29 1h24 s LYS 9 Ca 0.06 1.85 0.05 0.00 -0.36 0.00 0.00 55.97 57.57 1h24 s LYS 9 Cb -0.03 -2.20 0.09 0.00 -1.51 0.00 0.00 37.83 34.18 1h24 s LYS 9 CO -0.09 -0.87 0.95 1.51 -0.36 0.00 0.00 175.35 176.48 1h24 n ILE 10 N -0.98 0.00 0.00 5.43 3.06 0.16 -4.81 119.36 122.23 1h24 n ILE 10 Ca 0.10 -0.21 0.00 0.00 -2.50 0.00 0.00 62.75 60.14 1h24 n ILE 10 Cb 0.48 0.52 0.00 0.00 0.54 0.00 0.00 39.64 41.18 1h24 n ILE 10 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1h24 n GLY 11 N 0.11 3.18 3.13 4.50 0.00 -1.22 -4.94 105.19 109.94 1h24 n GLY 11 Ca -0.01 -1.38 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 1h24 n GLY 11 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h24 s GLU 12 N -2.22 0.73 0.25 1.61 2.12 -1.26 -1.52 118.70 118.40 1h24 s GLU 12 Ca 0.00 -1.25 0.04 0.00 0.36 0.00 0.00 54.97 54.12 1h24 s GLU 12 Cb 0.00 -0.05 -0.02 0.00 0.26 0.00 0.00 34.13 34.33 1h24 s GLU 12 CO 0.00 -0.05 0.16 0.41 -0.54 0.00 0.00 175.26 175.24 1h24 n GLY 13 N 0.11 3.34 0.21 -1.50 0.00 0.11 -4.94 105.19 102.53 1h24 n GLY 13 Ca -0.13 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.85 1h24 n GLY 13 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1h24 h THR 14 N 1.64 1.31 -0.02 2.61 1.35 -2.02 -3.29 112.91 114.50 1h24 h THR 14 Ca -0.18 -1.94 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 1h24 h THR 14 Cb 0.83 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1h24 h THR 14 CO 0.28 0.61 -0.23 0.00 -0.25 0.00 0.00 175.52 175.93 1h24 n TYR 15 N -3.92 0.00 -0.43 4.73 0.18 -1.26 -5.05 117.16 111.40 1h24 n TYR 15 Ca -0.05 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.73 1h24 n TYR 15 Cb 0.69 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.65 1h24 n TYR 15 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1h24 n GLY 16 N 1.34 -1.58 3.93 -7.48 0.00 -1.17 -1.58 105.19 98.65 1h24 n GLY 16 Ca 0.11 -1.08 -0.28 0.00 0.00 0.00 0.00 46.02 44.77 1h24 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h24 s VAL 17 N -2.13 5.31 -0.16 1.61 1.01 -1.25 0.04 120.40 124.83 1h24 s VAL 17 Ca 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1h24 s VAL 17 Cb 0.00 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1h24 s VAL 17 CO 0.00 -0.01 -0.10 -0.69 0.00 0.00 0.00 175.10 174.30 1h24 s VAL 18 N -1.66 3.20 0.21 2.92 1.01 -0.58 0.40 120.40 125.90 1h24 s VAL 18 Ca 0.34 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.83 1h24 s VAL 18 Cb -0.12 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1h24 s VAL 18 CO 0.28 0.50 -0.12 -0.31 0.00 0.00 0.00 175.10 175.44 1h24 s TYR 19 N 0.65 2.53 -0.03 5.22 1.51 0.11 0.40 117.35 127.75 1h24 s TYR 19 Ca -0.05 -0.26 -0.15 0.00 -1.01 0.00 0.00 57.07 55.60 1h24 s TYR 19 Cb -0.15 -1.20 -0.05 0.00 -0.11 0.00 0.00 41.96 40.44 1h24 s TYR 19 CO 0.02 0.55 0.39 0.21 -1.11 0.00 0.00 175.55 175.62 1h24 s LYS 20 N -3.02 3.96 0.23 -0.62 2.20 0.22 -0.38 119.74 122.33 1h24 s LYS 20 Ca 0.26 0.36 -0.03 0.00 -0.36 0.00 0.00 55.97 56.20 1h24 s LYS 20 Cb -0.08 -3.25 -0.03 0.00 -1.51 0.00 0.00 37.83 32.96 1h24 s LYS 20 CO 0.15 0.61 0.24 0.00 -0.36 0.00 0.00 175.35 175.99 1h24 s ALA 21 N -0.80 0.86 -0.02 3.13 0.00 0.47 -1.15 121.76 124.25 1h24 s ALA 21 Ca 0.23 -1.52 -0.00 0.00 0.00 0.00 0.00 51.96 50.66 1h24 s ALA 21 Cb -0.16 1.31 0.03 0.00 0.00 0.00 0.00 23.12 24.30 1h24 s ALA 21 CO 0.12 -0.67 0.04 -0.98 0.00 0.00 0.00 175.76 174.27 1h24 s ARG 22 N -4.03 -0.04 0.02 0.00 1.70 -0.59 -0.48 118.95 115.54 1h24 s ARG 22 Ca 0.35 0.22 -0.30 0.00 -0.47 0.00 0.00 55.73 55.52 1h24 s ARG 22 Cb 0.05 -0.27 -0.06 0.00 -0.57 0.00 0.00 34.95 34.09 1h24 s ARG 22 CO 0.13 -0.18 1.50 1.21 -1.08 0.00 0.00 175.30 176.87 1h24 s ASN 23 N 1.18 6.76 0.47 -2.89 3.84 0.21 -0.61 114.94 123.90 1h24 s ASN 23 Ca -0.08 2.24 0.29 0.00 0.21 0.00 0.00 52.86 55.52 1h24 s ASN 23 Cb -0.13 -2.56 0.94 0.00 -0.55 0.00 0.00 41.25 38.95 1h24 s ASN 23 CO -0.03 -0.79 1.82 0.11 -2.79 0.00 0.00 177.10 175.42 1h24 h LYS 24 N 8.09 0.00 0.00 0.43 1.57 0.99 -1.73 116.57 125.92 1h24 h LYS 24 Ca -0.39 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.04 1h24 h LYS 24 Cb 1.19 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.43 1h24 h LYS 24 CO 0.92 0.00 -2.31 1.28 -0.57 0.00 0.00 179.45 178.77 1h24 n LEU 25 N -2.99 1.20 -0.01 2.94 4.77 -1.26 -4.59 117.00 117.05 1h24 n LEU 25 Ca 0.02 -0.05 0.08 0.00 -0.03 0.00 0.00 56.01 56.03 1h24 n LEU 25 Cb 0.39 -0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.31 1h24 n LEU 25 CO 0.29 0.64 -0.50 0.35 -1.33 0.00 0.00 177.39 176.84 1h24 n THR 26 N -2.89 0.00 -0.78 -5.08 -2.24 -1.25 -4.99 114.28 97.04 1h24 n THR 26 Ca -0.35 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1h24 n THR 26 Cb 1.04 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 1h24 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h24 n GLY 27 N 1.54 1.07 3.74 3.38 0.00 -0.65 -5.01 105.19 109.25 1h24 n GLY 27 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1h24 n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h24 s GLU 28 N -0.14 4.30 -0.11 1.61 2.12 -1.25 -4.58 118.70 120.66 1h24 s GLU 28 Ca 0.00 2.23 -0.11 0.00 0.36 0.00 0.00 54.97 57.45 1h24 s GLU 28 Cb 0.00 -3.14 -0.05 0.00 0.26 0.00 0.00 34.13 31.20 1h24 s GLU 28 CO 0.00 -0.38 0.24 0.08 -0.54 0.00 0.00 175.26 174.66 1h24 s VAL 29 N 0.09 5.34 0.19 3.70 1.01 -1.26 0.64 120.40 130.12 1h24 s VAL 29 Ca 0.59 0.43 -0.09 0.00 0.00 0.00 0.00 61.98 62.91 1h24 s VAL 29 Cb -0.40 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1h24 s VAL 29 CO 0.41 0.54 0.32 0.68 0.00 0.00 0.00 175.10 177.04 1h24 s VAL 30 N -0.55 0.04 -0.26 2.92 -7.23 0.37 -3.82 120.40 111.87 1h24 s VAL 30 Ca 0.17 -1.48 -0.09 0.00 -1.81 0.00 0.00 61.98 58.77 1h24 s VAL 30 Cb -0.13 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 1h24 s VAL 30 CO 0.05 -0.17 0.13 0.00 -0.31 0.00 0.00 175.10 174.80 1h24 s ALA 31 N -4.01 3.33 -0.21 1.32 0.00 -0.58 0.18 121.76 121.78 1h24 s ALA 31 Ca 0.22 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 50.95 1h24 s ALA 31 Cb 0.03 -2.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.84 1h24 s ALA 31 CO 0.04 -0.51 0.23 -0.51 0.00 0.00 0.00 175.76 175.01 1h24 s LEU 32 N 1.67 4.15 -0.25 0.00 1.43 0.48 -0.78 118.68 125.40 1h24 s LEU 32 Ca 0.07 0.28 -0.08 0.00 -1.03 0.00 0.00 54.13 53.36 1h24 s LEU 32 Cb -0.15 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 1h24 s LEU 32 CO 0.07 0.05 0.09 -0.75 0.23 0.00 0.00 176.35 176.04 1h24 s LYS 33 N 0.95 3.76 0.17 1.70 2.20 -0.02 0.08 119.74 128.57 1h24 s LYS 33 Ca 0.12 -0.43 -0.13 0.00 -0.36 0.00 0.00 55.97 55.16 1h24 s LYS 33 Cb -0.13 -3.37 -0.07 0.00 -1.51 0.00 0.00 37.83 32.74 1h24 s LYS 33 CO 0.04 -0.12 0.55 0.21 -0.36 0.00 0.00 175.35 175.67 1h24 s LYS 34 N 1.47 3.95 -0.35 4.03 2.36 0.16 -1.87 119.74 129.49 1h24 s LYS 34 Ca 0.06 0.46 0.02 0.00 -2.55 0.00 0.00 55.97 53.95 1h24 s LYS 34 Cb -0.15 -2.87 0.15 0.00 -1.05 0.00 0.00 37.83 33.91 1h24 s LYS 34 CO 0.05 0.44 0.32 0.42 1.55 0.00 0.00 175.35 178.13 1h24 s ILE 35 N -1.54 -0.24 0.17 5.43 1.01 -0.48 -3.03 121.20 122.52 1h24 s ILE 35 Ca 0.40 -1.04 -0.32 0.00 0.00 0.00 0.00 60.65 59.69 1h24 s ILE 35 Cb -0.14 -0.82 -0.11 0.00 0.01 0.00 0.00 42.46 41.41 1h24 s ILE 35 CO 0.19 -0.65 1.68 -0.13 0.00 0.00 0.00 174.94 176.03 1h24 s ARG 36 N 1.52 4.16 0.05 2.79 0.52 -0.62 -1.52 118.95 125.86 1h24 s ARG 36 Ca 0.16 2.50 -0.26 0.00 -0.52 0.00 0.00 55.73 57.61 1h24 s ARG 36 Cb -0.17 -3.21 -0.05 0.00 0.52 0.00 0.00 34.95 32.04 1h24 s ARG 36 CO -0.08 -0.71 0.79 -0.51 0.02 0.00 0.00 175.30 174.81 1h24 s LEU 37 N 1.48 4.45 -1.32 2.53 1.02 -0.59 -4.89 118.68 121.36 1h24 s LEU 37 Ca 0.74 1.48 -0.17 0.00 0.02 0.00 0.00 54.13 56.20 1h24 s LEU 37 Cb -0.46 -3.27 0.08 0.00 0.02 0.00 0.00 46.19 42.55 1h24 s LEU 37 CO 0.32 -0.00 1.81 0.47 0.02 0.00 0.00 176.35 178.97 1h24 n ASP 38 N 2.87 4.76 -4.63 2.29 8.00 -1.14 -4.93 116.55 123.76 1h24 n ASP 38 Ca -0.02 -2.92 -0.28 0.00 0.71 0.00 0.00 54.79 52.28 1h24 n ASP 38 Cb 0.50 -1.71 0.19 0.00 -0.02 0.00 0.00 41.12 40.09 1h24 n ASP 38 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1h24 s THR 39 N 3.65 1.99 0.00 -3.53 2.01 -1.26 -0.51 115.64 117.98 1h24 s THR 39 Ca 0.51 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.51 1h24 s THR 39 Cb 0.05 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 70.14 1h24 s THR 39 CO 0.04 0.00 0.00 -0.62 -0.69 0.00 0.00 174.62 173.35 1h24 n GLU 40 N -4.34 0.00 0.00 4.92 4.71 -1.26 -4.53 120.64 120.14 1h24 n GLU 40 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 1h24 n GLU 40 Cb 0.57 -3.21 0.00 0.00 -1.01 0.00 0.00 31.44 27.79 1h24 n GLU 40 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1h24 n THR 41 N -0.81 0.00 -0.02 2.62 -2.24 -1.03 -5.02 114.28 107.79 1h24 n THR 41 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1h24 n THR 41 Cb 0.00 -0.21 -0.14 0.00 -2.10 0.00 0.00 70.33 67.88 1h24 n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1h24 n GLU 42 N -0.65 0.63 0.00 -0.78 4.71 -1.00 -5.09 120.64 118.46 1h24 n GLU 42 Ca 0.00 0.29 0.00 0.00 -0.01 0.00 0.00 57.16 57.44 1h24 n GLU 42 Cb 0.00 -1.79 0.00 0.00 -1.01 0.00 0.00 31.44 28.64 1h24 n GLU 42 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1h24 n GLY 43 N 1.54 -0.66 3.71 0.62 0.00 0.33 -4.83 105.19 105.91 1h24 n GLY 43 Ca -0.16 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 1h24 n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h24 s VAL 44 N 0.00 4.06 0.24 1.61 1.01 -1.26 -2.90 120.40 123.15 1h24 s VAL 44 Ca 0.00 1.46 -0.31 0.00 0.00 0.00 0.00 61.98 63.13 1h24 s VAL 44 Cb 0.00 -3.93 -0.11 0.00 0.00 0.00 0.00 36.38 32.33 1h24 s VAL 44 CO 0.00 0.08 1.60 -2.84 0.00 0.00 0.00 175.10 173.94 1h24 s PRO 45 N 1.41 4.16 0.42 2.72 0.02 -1.26 -4.86 135.00 137.61 1h24 s PRO 45 Ca 0.58 2.51 0.14 0.00 0.02 0.00 0.00 61.00 64.25 1h24 s PRO 45 Cb -0.29 -3.07 0.99 0.00 0.02 0.00 0.00 34.50 32.16 1h24 s PRO 45 CO 0.27 -0.63 1.94 0.66 -0.33 0.00 0.00 177.00 178.91 1h24 h SER 46 N 5.77 0.43 -0.05 2.53 4.64 -1.95 0.31 113.55 125.23 1h24 h SER 46 Ca -0.45 0.02 0.02 0.00 -0.47 0.00 0.00 61.79 60.90 1h24 h SER 46 Cb 1.21 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1h24 h SER 46 CO 0.86 0.24 0.06 0.71 -0.87 0.00 0.00 176.83 177.83 1h24 h THR 47 N 0.47 0.57 0.19 2.95 1.35 -1.90 -0.03 112.91 116.50 1h24 h THR 47 Ca 0.34 0.00 -0.35 0.00 -0.55 0.00 0.00 66.41 65.85 1h24 h THR 47 Cb 0.68 0.96 0.01 0.00 -1.73 0.00 0.00 68.15 68.07 1h24 h THR 47 CO -0.11 0.00 -1.72 0.00 -0.25 0.00 0.00 175.52 173.44 1h24 h ALA 48 N 1.94 0.15 -0.66 6.62 0.00 -0.74 -2.13 119.26 124.43 1h24 h ALA 48 Ca 0.02 -1.12 -0.06 0.00 0.00 0.00 0.00 54.91 53.75 1h24 h ALA 48 Cb 0.14 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1h24 h ALA 48 CO -0.00 1.01 0.17 0.82 0.00 0.00 0.00 179.25 181.26 1h24 h ILE 49 N 0.11 1.26 -0.15 0.00 2.04 -1.00 -0.02 117.51 119.74 1h24 h ILE 49 Ca -0.33 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 64.57 1h24 h ILE 49 Cb 2.10 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1h24 h ILE 49 CO 0.18 0.35 -0.06 0.03 0.00 0.00 0.00 178.15 178.65 1h24 h ARG 50 N 0.98 0.31 -0.68 2.37 3.08 -1.10 -1.72 114.38 117.62 1h24 h ARG 50 Ca 0.21 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.13 1h24 h ARG 50 Cb 0.34 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 1h24 h ARG 50 CO -0.00 0.62 0.45 1.49 -1.07 0.00 0.00 179.97 181.46 1h24 h GLU 51 N -0.01 0.89 -0.07 0.04 4.81 -1.11 -0.92 114.58 118.22 1h24 h GLU 51 Ca 0.04 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1h24 h GLU 51 Cb 0.53 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1h24 h GLU 51 CO 0.02 0.59 -0.25 0.82 -0.73 0.00 0.00 179.01 179.46 1h24 h ILE 52 N 0.91 1.43 -0.29 2.32 2.04 -1.06 -1.69 117.51 121.17 1h24 h ILE 52 Ca 0.25 -1.65 -0.10 0.00 1.00 0.00 0.00 64.86 64.36 1h24 h ILE 52 Cb -0.10 2.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1h24 h ILE 52 CO -0.06 0.47 -0.25 0.77 0.00 0.00 0.00 178.15 179.08 1h24 h SER 53 N -0.23 0.58 0.06 1.72 4.64 -1.22 0.24 113.55 119.35 1h24 h SER 53 Ca -0.01 -0.20 -0.27 0.00 -0.47 0.00 0.00 61.79 60.84 1h24 h SER 53 Cb 0.88 -0.16 0.02 0.00 -0.31 0.00 0.00 62.40 62.84 1h24 h SER 53 CO 0.05 0.82 -1.09 -0.07 -0.87 0.00 0.00 176.83 175.67 1h24 h LEU 54 N 0.50 0.85 -1.21 5.97 3.38 -1.21 -3.19 115.31 120.40 1h24 h LEU 54 Ca 0.07 -0.79 -0.08 0.00 0.09 0.00 0.00 57.88 57.17 1h24 h LEU 54 Cb 0.70 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1h24 h LEU 54 CO 0.05 1.54 -0.39 -0.07 0.09 0.00 0.00 178.44 179.67 1h24 h LEU 55 N 0.26 0.00 -1.49 1.67 4.07 -1.17 -2.80 115.31 115.86 1h24 h LEU 55 Ca -0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.81 1h24 h LEU 55 Cb 1.77 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.48 1h24 h LEU 55 CO 0.21 0.39 0.32 0.11 -1.08 0.00 0.00 178.44 178.39 1h24 h LYS 56 N 0.00 0.66 0.00 1.13 1.57 -0.93 -3.33 116.57 115.67 1h24 h LYS 56 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1h24 h LYS 56 Cb 0.71 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1h24 h LYS 56 CO 0.05 0.45 0.00 0.39 -0.57 0.00 0.00 179.45 179.77 1h24 n GLU 57 N -4.45 0.00 -0.70 3.15 -0.58 -1.06 -4.80 120.64 112.20 1h24 n GLU 57 Ca 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1h24 n GLU 57 Cb 0.06 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.93 1h24 n GLU 57 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1h24 n LEU 58 N 0.00 0.00 -3.96 -4.62 4.77 -1.20 -4.87 117.00 107.12 1h24 n LEU 58 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 1h24 n LEU 58 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1h24 n LEU 58 CO 0.00 0.00 -0.24 0.21 -1.33 0.00 0.00 177.39 176.03 1h24 s ASN 59 N -0.11 4.43 0.04 -1.43 3.04 -1.26 -4.91 114.94 114.72 1h24 s ASN 59 Ca 0.00 -2.68 -0.09 0.00 0.04 0.00 0.00 52.86 50.12 1h24 s ASN 59 Cb 0.00 -1.59 0.00 0.00 -1.54 0.00 0.00 41.25 38.12 1h24 s ASN 59 CO 0.00 -0.29 0.19 -2.28 -3.04 0.00 0.00 177.10 171.69 1h24 s HIS 60 N 0.18 0.05 0.34 0.43 2.46 -1.26 -5.05 115.29 112.44 1h24 s HIS 60 Ca 0.15 -0.26 0.31 0.00 0.47 0.00 0.00 55.06 55.74 1h24 s HIS 60 Cb -0.23 -0.03 1.52 0.00 -0.13 0.00 0.00 32.58 33.71 1h24 s HIS 60 CO -0.03 -0.42 2.07 -1.35 -2.47 0.00 0.00 174.74 172.53 1h24 h PRO 61 N 3.51 0.00 -0.34 2.88 0.11 -1.98 -2.88 132.00 133.30 1h24 h PRO 61 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1h24 h PRO 61 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1h24 h PRO 61 CO 0.48 0.08 0.00 0.09 -0.21 0.00 0.00 178.00 178.44 1h24 n ASN 62 N -3.38 3.76 -4.34 -2.05 4.13 -1.26 -4.86 115.26 107.26 1h24 n ASN 62 Ca -0.01 -2.65 -0.32 0.00 1.68 0.00 0.00 54.58 53.28 1h24 n ASN 62 Cb 0.25 -0.46 -0.15 0.00 -1.54 0.00 0.00 39.78 37.88 1h24 n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1h24 s ILE 63 N -2.17 2.36 0.48 2.41 1.01 -1.09 -0.42 121.20 123.78 1h24 s ILE 63 Ca 0.38 -0.98 -0.24 0.00 0.00 0.00 0.00 60.65 59.81 1h24 s ILE 63 Cb 0.28 -1.87 -0.07 0.00 0.01 0.00 0.00 42.46 40.80 1h24 s ILE 63 CO 0.13 0.58 1.42 0.54 0.00 0.00 0.00 174.94 177.60 1h24 s VAL 64 N -0.45 2.04 -0.18 2.92 0.11 0.48 -4.62 120.40 120.70 1h24 s VAL 64 Ca 0.05 0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 59.02 1h24 s VAL 64 Cb -0.12 -3.02 -0.05 0.00 -1.53 0.00 0.00 36.38 31.67 1h24 s VAL 64 CO 0.01 0.00 0.20 -0.75 -3.33 0.00 0.00 175.10 171.23 1h24 s LYS 65 N -2.57 4.18 -0.41 1.54 2.20 -1.26 -4.99 119.74 118.42 1h24 s LYS 65 Ca 0.64 -0.08 -0.20 0.00 -0.36 0.00 0.00 55.97 55.97 1h24 s LYS 65 Cb -0.43 -3.41 0.02 0.00 -1.51 0.00 0.00 37.83 32.50 1h24 s LYS 65 CO 0.55 0.30 0.60 -1.17 -0.36 0.00 0.00 175.35 175.26 1h24 s LEU 66 N 0.32 4.49 0.11 5.43 2.96 -1.26 -2.31 118.68 128.42 1h24 s LEU 66 Ca 0.12 -0.27 -0.04 0.00 -0.22 0.00 0.00 54.13 53.72 1h24 s LEU 66 Cb -0.12 -2.67 -0.17 0.00 0.50 0.00 0.00 46.19 43.73 1h24 s LEU 66 CO 0.01 -0.69 1.24 -0.07 -1.32 0.00 0.00 176.35 175.52 1h24 h LEU 67 N 9.48 0.46 -7.89 -0.68 3.38 -0.88 -3.49 115.31 115.69 1h24 h LEU 67 Ca -0.26 -0.42 0.10 0.00 0.09 0.00 0.00 57.88 57.39 1h24 h LEU 67 Cb 1.10 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 1h24 h LEU 67 CO 0.86 1.26 0.36 -0.62 0.09 0.00 0.00 178.44 180.38 1h24 s ASP 68 N -7.10 -0.15 -0.20 -0.43 -1.08 -1.15 -5.01 116.67 101.54 1h24 s ASP 68 Ca -0.05 -0.66 -0.04 0.00 -0.52 0.00 0.00 52.55 51.28 1h24 s ASP 68 Cb 0.08 0.65 0.08 0.00 -1.46 0.00 0.00 42.92 42.27 1h24 s ASP 68 CO 0.87 -1.24 0.13 -0.69 0.52 0.00 0.00 175.17 174.76 1h24 s VAL 69 N -3.22 -0.15 -0.20 1.11 1.01 -1.26 -2.30 120.40 115.39 1h24 s VAL 69 Ca 0.13 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 1h24 s VAL 69 Cb -0.04 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1h24 s VAL 69 CO 0.06 -0.36 0.51 -0.63 0.00 0.00 0.00 175.10 174.68 1h24 s ILE 70 N 2.18 5.11 -0.94 2.22 1.01 0.49 -4.95 121.20 126.33 1h24 s ILE 70 Ca 0.05 0.93 -0.01 0.00 0.00 0.00 0.00 60.65 61.62 1h24 s ILE 70 Cb -0.16 -3.83 0.31 0.00 0.01 0.00 0.00 42.46 38.79 1h24 s ILE 70 CO -0.16 0.18 1.43 1.41 0.00 0.00 0.00 174.94 177.80 1h24 n HIS 71 N 4.75 2.82 -0.65 3.97 8.25 -1.26 -1.19 115.22 131.91 1h24 n HIS 71 Ca -0.05 -2.96 -0.28 0.00 -0.26 0.00 0.00 57.72 54.17 1h24 n HIS 71 Cb 0.50 -1.05 0.24 0.00 1.12 0.00 0.00 29.99 30.81 1h24 n HIS 71 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1h24 s THR 72 N -3.45 2.00 0.20 1.59 2.01 -0.96 -4.94 115.64 112.10 1h24 s THR 72 Ca 0.37 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 62.31 1h24 s THR 72 Cb 0.14 -2.14 0.04 0.00 0.01 0.00 0.00 72.50 70.55 1h24 s THR 72 CO -0.01 -0.00 1.62 -0.33 -0.69 0.00 0.00 174.62 175.21 1h24 h GLU 73 N -2.55 0.86 -0.00 4.92 5.08 -2.03 -3.33 114.58 117.52 1h24 h GLU 73 Ca -0.61 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 57.42 1h24 h GLU 73 Cb 1.34 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1h24 h GLU 73 CO 0.52 0.97 -0.26 0.09 -1.00 0.00 0.00 179.01 179.33 1h24 n ASN 74 N -4.13 0.94 -4.10 1.42 3.02 -1.26 -4.96 115.26 106.19 1h24 n ASN 74 Ca 0.01 -0.97 -0.11 0.00 -0.03 0.00 0.00 54.58 53.48 1h24 n ASN 74 Cb 0.42 0.63 -0.11 0.00 -0.61 0.00 0.00 39.78 40.11 1h24 n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1h24 s LYS 75 N -1.47 0.65 -0.11 3.52 1.02 -1.25 -1.53 119.74 120.56 1h24 s LYS 75 Ca 0.06 -1.05 0.02 0.00 0.02 0.00 0.00 55.97 55.02 1h24 s LYS 75 Cb 0.07 -0.14 -0.01 0.00 -0.52 0.00 0.00 37.83 37.22 1h24 s LYS 75 CO 0.28 -0.01 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.03 1h24 s LEU 76 N -2.37 2.57 -0.14 3.17 1.02 -0.57 -2.26 118.68 120.10 1h24 s LEU 76 Ca 0.01 -0.36 -0.01 0.00 0.02 0.00 0.00 54.13 53.80 1h24 s LEU 76 Cb -0.01 -1.55 -0.01 0.00 0.02 0.00 0.00 46.19 44.63 1h24 s LEU 76 CO -0.03 0.20 -0.12 -0.31 0.02 0.00 0.00 176.35 176.11 1h24 s TYR 77 N 0.13 2.84 -0.18 0.29 2.02 -0.33 -1.38 117.35 120.74 1h24 s TYR 77 Ca -0.08 -0.65 -0.06 0.00 -0.37 0.00 0.00 57.07 55.91 1h24 s TYR 77 Cb -0.15 -1.87 -0.04 0.00 -0.40 0.00 0.00 41.96 39.50 1h24 s TYR 77 CO 0.05 -0.23 0.04 -0.51 -1.57 0.00 0.00 175.55 173.33 1h24 s LEU 78 N 0.43 3.64 -0.26 -1.29 1.43 -0.78 -0.38 118.68 121.47 1h24 s LEU 78 Ca -0.09 0.00 -0.09 0.00 -1.03 0.00 0.00 54.13 52.93 1h24 s LEU 78 Cb -0.16 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1h24 s LEU 78 CO 0.05 0.16 0.11 -0.69 0.23 0.00 0.00 176.35 176.20 1h24 s VAL 79 N 0.47 4.61 0.25 -1.59 1.01 -0.97 -0.84 120.40 123.35 1h24 s VAL 79 Ca 0.01 -0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.00 1h24 s VAL 79 Cb -0.13 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1h24 s VAL 79 CO 0.01 0.29 -0.10 -0.36 0.00 0.00 0.00 175.10 174.94 1h24 s PHE 80 N 1.66 2.53 0.51 5.22 0.40 0.04 -0.16 117.98 128.18 1h24 s PHE 80 Ca 0.06 -0.27 -0.21 0.00 -0.60 0.00 0.00 56.93 55.92 1h24 s PHE 80 Cb -0.16 -1.13 -0.06 0.00 0.51 0.00 0.00 43.02 42.18 1h24 s PHE 80 CO 0.06 0.63 1.16 -1.83 0.70 0.00 0.00 175.22 175.94 1h24 s GLU 81 N -3.44 3.49 -0.03 0.44 -1.05 -0.98 -1.53 118.70 115.60 1h24 s GLU 81 Ca 0.29 1.72 -0.19 0.00 -0.15 0.00 0.00 54.97 56.65 1h24 s GLU 81 Cb -0.06 -2.18 -0.05 0.00 -0.44 0.00 0.00 34.13 31.40 1h24 s GLU 81 CO 0.17 -0.77 0.54 0.12 0.95 0.00 0.00 175.26 176.28 1h24 s PHE 82 N -1.64 3.65 -0.04 4.83 5.36 -1.25 -4.34 117.98 124.56 1h24 s PHE 82 Ca 0.69 1.11 0.05 0.00 -0.96 0.00 0.00 56.93 57.82 1h24 s PHE 82 Cb -0.27 -2.55 -0.01 0.00 -0.34 0.00 0.00 43.02 39.85 1h24 s PHE 82 CO 0.32 0.36 -0.19 -0.51 -1.46 0.00 0.00 175.22 173.73 1h24 s LEU 83 N -0.15 1.97 0.13 6.12 1.43 -1.26 -4.99 118.68 121.93 1h24 s LEU 83 Ca 0.29 -0.38 -0.22 0.00 -1.03 0.00 0.00 54.13 52.79 1h24 s LEU 83 Cb -0.17 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 1h24 s LEU 83 CO 0.15 0.19 1.67 1.12 0.23 0.00 0.00 176.35 179.71 1h24 h HIS 84 N 6.07 -0.37 -4.58 0.29 2.07 -1.90 -3.46 115.15 113.26 1h24 h HIS 84 Ca -0.34 0.02 -0.40 0.00 -2.85 0.00 0.00 60.37 56.80 1h24 h HIS 84 Cb 1.17 0.19 -0.11 0.00 2.57 0.00 0.00 27.41 31.23 1h24 h HIS 84 CO 0.42 -0.22 -0.35 1.14 -3.07 0.00 0.00 177.93 175.86 1h24 s GLN 85 N -6.15 1.87 0.33 5.12 -2.07 -1.21 -5.04 119.66 112.52 1h24 s GLN 85 Ca -0.14 -1.94 0.08 0.00 -1.82 0.00 0.00 55.36 51.53 1h24 s GLN 85 Cb 0.10 0.38 -0.03 0.00 -1.09 0.00 0.00 33.01 32.37 1h24 s GLN 85 CO 0.68 -0.74 0.25 0.16 -1.32 0.00 0.00 175.29 174.32 1h24 s ASP 86 N -3.33 5.15 0.22 12.60 1.47 -1.26 -0.82 116.67 130.70 1h24 s ASP 86 Ca 0.36 -0.55 -0.06 0.00 1.18 0.00 0.00 52.55 53.48 1h24 s ASP 86 Cb 0.01 -0.94 0.19 0.00 -0.34 0.00 0.00 42.92 41.83 1h24 s ASP 86 CO 0.26 -0.32 1.73 0.25 0.68 0.00 0.00 175.17 177.77 1h24 h LEU 87 N 1.34 0.99 -0.02 2.11 5.85 -0.77 -1.97 115.31 122.84 1h24 h LEU 87 Ca -0.45 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.08 1h24 h LEU 87 Cb 1.25 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 1h24 h LEU 87 CO 0.60 0.98 -0.18 0.50 -0.34 0.00 0.00 178.44 179.99 1h24 h LYS 88 N 0.98 -0.27 -0.80 1.25 3.64 -1.78 0.92 116.57 120.50 1h24 h LYS 88 Ca 0.20 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.67 1h24 h LYS 88 Cb 0.41 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 1h24 h LYS 88 CO 0.01 -0.18 0.52 -0.22 -2.27 0.00 0.00 179.45 177.31 1h24 h LYS 89 N -0.28 0.80 -0.25 1.90 3.64 -1.69 -1.43 116.57 119.26 1h24 h LYS 89 Ca 0.06 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.19 1h24 h LYS 89 Cb 0.36 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1h24 h LYS 89 CO -0.18 0.53 -0.62 0.35 -2.27 0.00 0.00 179.45 177.26 1h24 h PHE 90 N 0.83 1.10 -0.30 1.91 3.57 -0.78 -1.30 116.94 121.97 1h24 h PHE 90 Ca 0.35 -0.42 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1h24 h PHE 90 Cb 0.29 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1h24 h PHE 90 CO -0.00 1.26 0.16 0.52 -2.23 0.00 0.00 178.31 178.01 1h24 h MET 91 N 0.63 0.42 -0.47 1.11 2.86 -0.14 -1.39 114.93 117.95 1h24 h MET 91 Ca -0.01 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.66 1h24 h MET 91 Cb 1.23 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 32.75 1h24 h MET 91 CO 0.13 0.37 0.11 -0.44 1.06 0.00 0.00 176.91 178.14 1h24 h ASP 92 N 0.36 0.04 0.23 1.22 3.32 -1.21 0.30 116.42 120.68 1h24 h ASP 92 Ca 0.10 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1h24 h ASP 92 Cb 0.08 0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1h24 h ASP 92 CO -0.02 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.56 1h24 h ALA 93 N 1.35 1.00 -0.52 3.45 0.00 -0.85 -1.52 119.26 122.16 1h24 h ALA 93 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1h24 h ALA 93 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1h24 h ALA 93 CO -0.29 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.39 1h24 n SER 94 N -2.68 4.19 -0.15 0.00 7.64 0.10 -4.70 113.62 118.02 1h24 n SER 94 Ca -0.01 -2.43 -0.04 0.00 1.01 0.00 0.00 58.87 57.39 1h24 n SER 94 Cb 0.11 -0.49 0.02 0.00 -1.01 0.00 0.00 64.21 62.84 1h24 n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h24 h ALA 95 N 3.26 0.14 -2.95 -0.43 0.00 -0.81 0.98 119.26 119.45 1h24 h ALA 95 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1h24 h ALA 95 Cb 1.28 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1h24 h ALA 95 CO 0.17 -0.55 0.00 1.28 0.00 0.00 0.00 179.25 180.15 1h24 n LEU 96 N -5.40 1.82 -0.18 0.00 4.77 -1.26 -3.99 117.00 112.76 1h24 n LEU 96 Ca 0.04 0.20 0.28 0.00 -0.03 0.00 0.00 56.01 56.50 1h24 n LEU 96 Cb 0.31 -0.01 0.52 0.00 -2.33 0.00 0.00 43.42 41.92 1h24 n LEU 96 CO 0.08 -0.01 1.26 0.71 -1.33 0.00 0.00 177.39 178.10 1h24 h THR 97 N 0.00 0.08 -2.09 -5.08 1.35 -1.89 -3.47 112.91 101.81 1h24 h THR 97 Ca 0.00 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 66.02 1h24 h THR 97 Cb 0.00 0.14 -0.04 0.00 -1.73 0.00 0.00 68.15 66.52 1h24 h THR 97 CO 0.00 0.00 -0.21 0.61 -0.25 0.00 0.00 175.52 175.67 1h24 n GLY 98 N -1.69 -1.58 3.28 5.82 0.00 0.34 -4.85 105.19 106.51 1h24 n GLY 98 Ca 0.21 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 1h24 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h24 s ILE 99 N -1.00 2.41 0.30 -0.61 1.01 -1.26 -4.88 121.20 117.16 1h24 s ILE 99 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 1h24 s ILE 99 Cb 0.00 -1.95 -0.11 0.00 0.01 0.00 0.00 42.46 40.40 1h24 s ILE 99 CO 0.00 0.55 1.56 -2.84 0.00 0.00 0.00 174.94 174.21 1h24 s PRO 100 N 0.31 4.13 0.26 2.79 0.02 -1.26 -4.85 135.00 136.41 1h24 s PRO 100 Ca -0.15 2.55 -0.01 0.00 0.02 0.00 0.00 61.00 63.40 1h24 s PRO 100 Cb -0.17 -3.02 0.48 0.00 0.02 0.00 0.00 34.50 31.81 1h24 s PRO 100 CO 0.08 -0.60 1.82 1.25 -0.33 0.00 0.00 177.00 179.22 1h24 h LEU 101 N 4.59 0.80 -1.33 -5.54 7.12 -1.99 -0.96 115.31 118.01 1h24 h LEU 101 Ca -0.47 0.05 -0.06 0.00 0.13 0.00 0.00 57.88 57.52 1h24 h LEU 101 Cb 1.22 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 41.24 1h24 h LEU 101 CO 0.77 0.43 -0.26 -0.65 -0.13 0.00 0.00 178.44 178.61 1h24 h PRO 102 N 0.89 0.12 -0.14 5.25 0.11 -1.98 0.49 132.00 136.73 1h24 h PRO 102 Ca 0.45 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.50 1h24 h PRO 102 Cb 0.44 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 1h24 h PRO 102 CO -0.26 0.37 -0.03 1.25 -0.21 0.00 0.00 178.00 179.12 1h24 h LEU 103 N 0.11 0.27 -0.39 2.35 5.85 -1.55 0.19 115.31 122.14 1h24 h LEU 103 Ca 0.02 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.45 1h24 h LEU 103 Cb 0.52 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 1h24 h LEU 103 CO 0.04 0.57 -0.04 0.40 -0.34 0.00 0.00 178.44 179.06 1h24 h ILE 104 N -0.03 0.67 -0.29 4.05 2.04 -1.18 0.79 117.51 123.56 1h24 h ILE 104 Ca 0.04 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 1h24 h ILE 104 Cb 0.44 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1h24 h ILE 104 CO 0.01 0.01 -0.13 0.50 0.00 0.00 0.00 178.15 178.55 1h24 h LYS 105 N 0.06 0.49 0.42 2.37 3.64 -0.46 0.07 116.57 123.16 1h24 h LYS 105 Ca 0.19 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1h24 h LYS 105 Cb 0.28 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1h24 h LYS 105 CO -0.35 0.61 -0.20 1.03 -2.27 0.00 0.00 179.45 178.26 1h24 h SER 106 N 0.45 -0.48 -0.59 4.20 0.87 0.41 -1.75 113.55 116.66 1h24 h SER 106 Ca 0.08 -0.08 0.09 0.00 -1.23 0.00 0.00 61.79 60.65 1h24 h SER 106 Cb 0.49 0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 62.50 1h24 h SER 106 CO 0.03 -0.19 0.20 1.88 -0.53 0.00 0.00 176.83 178.22 1h24 h TYR 107 N -0.77 0.35 -0.45 2.24 0.05 -0.60 -0.71 116.97 117.07 1h24 h TYR 107 Ca -0.06 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 1h24 h TYR 107 Cb 0.53 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.19 1h24 h TYR 107 CO -0.00 0.07 0.15 1.25 -1.05 0.00 0.00 178.16 178.58 1h24 h LEU 108 N 0.37 0.60 -0.33 3.88 5.85 -0.90 0.77 115.31 125.55 1h24 h LEU 108 Ca 0.30 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.84 1h24 h LEU 108 Cb 0.38 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1h24 h LEU 108 CO -0.31 0.57 -0.19 0.15 -0.34 0.00 0.00 178.44 178.31 1h24 h PHE 109 N 0.65 0.82 -0.35 1.25 3.57 -0.26 -1.87 116.94 120.75 1h24 h PHE 109 Ca 0.15 -0.21 -0.16 0.00 3.53 0.00 0.00 57.97 61.28 1h24 h PHE 109 Cb 0.18 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 1h24 h PHE 109 CO 0.01 0.93 -0.42 1.96 -2.23 0.00 0.00 178.31 178.57 1h24 h GLN 110 N 0.48 0.90 -0.52 1.11 4.20 -0.74 0.13 115.11 120.66 1h24 h GLN 110 Ca 0.07 -0.50 0.00 0.00 0.06 0.00 0.00 58.65 58.28 1h24 h GLN 110 Cb 0.73 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 1h24 h GLN 110 CO 0.05 1.15 0.33 -0.07 -0.67 0.00 0.00 178.83 179.62 1h24 h LEU 111 N 0.70 0.61 -0.47 1.46 3.38 -0.79 0.44 115.31 120.64 1h24 h LEU 111 Ca 0.05 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 1h24 h LEU 111 Cb 1.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1h24 h LEU 111 CO 0.10 0.45 -0.66 -0.07 0.09 0.00 0.00 178.44 178.35 1h24 h LEU 112 N 0.71 0.00 -0.55 1.67 3.38 -0.99 -1.81 115.31 117.72 1h24 h LEU 112 Ca 0.19 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 1h24 h LEU 112 Cb -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1h24 h LEU 112 CO -0.04 0.66 -0.06 1.56 0.09 0.00 0.00 178.44 180.65 1h24 h GLN 113 N 0.00 1.02 -0.76 1.13 4.20 0.18 -1.84 115.11 119.04 1h24 h GLN 113 Ca -0.01 -0.36 -0.04 0.00 0.06 0.00 0.00 58.65 58.30 1h24 h GLN 113 Cb 1.29 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.96 1h24 h GLN 113 CO 0.09 1.04 0.30 0.78 -0.67 0.00 0.00 178.83 180.37 1h24 h GLY 114 N 0.90 1.21 1.84 3.46 0.00 -0.43 -2.83 103.07 107.22 1h24 h GLY 114 Ca 0.15 -0.66 -0.21 0.00 0.00 0.00 0.00 47.33 46.61 1h24 h GLY 114 CO 0.04 0.62 -1.04 -2.00 0.00 0.00 0.00 176.54 174.16 1h24 h LEU 115 N 1.09 0.00 -0.70 3.11 5.85 -1.15 -2.24 115.31 121.28 1h24 h LEU 115 Ca 0.25 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.85 1h24 h LEU 115 Cb 0.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1h24 h LEU 115 CO -0.02 0.93 -0.35 0.00 -0.34 0.00 0.00 178.44 178.66 1h24 h ALA 116 N 1.07 0.88 -0.48 1.25 0.00 -1.24 0.09 119.26 120.83 1h24 h ALA 116 Ca -0.05 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1h24 h ALA 116 Cb 1.75 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 1h24 h ALA 116 CO 0.11 0.63 0.27 0.35 0.00 0.00 0.00 179.25 180.61 1h24 h PHE 117 N 0.51 0.65 0.22 0.00 3.57 -1.32 0.48 116.94 121.05 1h24 h PHE 117 Ca 0.05 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1h24 h PHE 117 Cb 0.85 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 1h24 h PHE 117 CO 0.04 0.48 -0.12 0.00 -2.23 0.00 0.00 178.31 176.48 1h24 h HIS 119 N -0.32 1.23 0.00 0.00 3.86 -0.87 0.11 115.15 119.16 1h24 h HIS 119 Ca -0.02 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1h24 h HIS 119 Cb 0.26 -0.41 0.00 0.00 1.06 0.00 0.00 27.41 28.31 1h24 h HIS 119 CO -0.08 0.71 0.07 0.43 0.86 0.00 0.00 177.93 179.93 1h24 n SER 120 N -4.44 0.36 -0.61 2.45 7.64 0.17 -2.07 113.62 117.12 1h24 n SER 120 Ca 0.14 0.64 0.06 0.00 1.01 0.00 0.00 58.87 60.71 1h24 n SER 120 Cb 0.10 -0.66 0.16 0.00 -1.01 0.00 0.00 64.21 62.79 1h24 n SER 120 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1h24 n HIS 121 N -1.99 0.00 -2.81 1.43 8.25 0.28 -4.97 115.22 115.41 1h24 n HIS 121 Ca -0.01 -1.19 -0.17 0.00 -0.26 0.00 0.00 57.72 56.09 1h24 n HIS 121 Cb 0.09 -0.21 -0.00 0.00 1.12 0.00 0.00 29.99 31.00 1h24 n HIS 121 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1h24 n ARG 122 N -0.92 -2.88 -4.11 -0.41 -4.01 -0.88 -4.91 116.66 98.55 1h24 n ARG 122 Ca 0.16 0.59 -0.35 0.00 -1.04 0.00 0.00 57.85 57.21 1h24 n ARG 122 Cb 0.74 -5.25 -0.13 0.00 -3.04 0.00 0.00 32.46 24.78 1h24 n ARG 122 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 1h24 s VAL 123 N -2.78 3.68 0.14 8.89 1.01 -0.65 0.11 120.40 130.80 1h24 s VAL 123 Ca 0.16 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 1h24 s VAL 123 Cb -0.08 -2.66 -0.07 0.00 0.00 0.00 0.00 36.38 33.57 1h24 s VAL 123 CO 0.20 0.44 0.58 -0.76 0.00 0.00 0.00 175.10 175.56 1h24 s LEU 124 N 1.06 4.40 -0.20 3.92 1.43 0.19 -3.93 118.68 125.54 1h24 s LEU 124 Ca 0.01 1.19 -0.18 0.00 -1.03 0.00 0.00 54.13 54.13 1h24 s LEU 124 Cb -0.15 -3.20 -0.14 0.00 0.03 0.00 0.00 46.19 42.73 1h24 s LEU 124 CO 0.01 0.15 0.04 1.57 0.23 0.00 0.00 176.35 178.35 1h24 n HIS 125 N 1.07 0.87 -1.80 0.29 -0.00 -1.26 -1.51 115.22 112.88 1h24 n HIS 125 Ca -0.06 0.38 -0.21 0.00 -0.00 0.00 0.00 57.72 57.82 1h24 n HIS 125 Cb 0.51 -0.99 -0.07 0.00 -0.00 0.00 0.00 29.99 29.44 1h24 n HIS 125 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1h24 n ARG 126 N -4.46 -1.51 -2.70 1.57 1.74 -1.26 -3.15 116.66 106.89 1h24 n ARG 126 Ca -0.28 1.18 -0.06 0.00 -0.77 0.00 0.00 57.85 57.93 1h24 n ARG 126 Cb 0.59 -5.63 0.10 0.00 -1.02 0.00 0.00 32.46 26.50 1h24 n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1h24 n ASP 127 N -1.52 -0.90 -4.50 0.55 2.03 -1.26 -2.96 116.55 107.99 1h24 n ASP 127 Ca -0.22 -2.42 -0.43 0.00 0.52 0.00 0.00 54.79 52.24 1h24 n ASP 127 Cb 0.69 0.53 -0.05 0.00 -0.72 0.00 0.00 41.12 41.57 1h24 n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1h24 s LEU 128 N -3.44 4.34 0.04 -2.67 1.43 -1.26 -4.80 118.68 112.32 1h24 s LEU 128 Ca 0.20 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1h24 s LEU 128 Cb 0.42 -2.71 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 1h24 s LEU 128 CO -0.07 -1.15 -0.04 -1.59 0.23 0.00 0.00 176.35 173.73 1h24 s LYS 129 N 3.62 0.52 0.50 1.70 -2.85 -1.26 -4.81 119.74 117.16 1h24 s LYS 129 Ca 0.26 -0.96 0.30 0.00 -1.00 0.00 0.00 55.97 54.57 1h24 s LYS 129 Cb -0.14 0.05 1.39 0.00 -2.06 0.00 0.00 37.83 37.07 1h24 s LYS 129 CO 0.17 -0.05 1.82 -1.35 0.10 0.00 0.00 175.35 176.03 1h24 h PRO 130 N 3.83 0.12 0.00 1.78 0.11 -1.95 0.20 132.00 136.10 1h24 h PRO 130 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1h24 h PRO 130 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1h24 h PRO 130 CO 0.54 0.08 0.00 1.04 -0.21 0.00 0.00 178.00 179.45 1h24 n GLN 131 N -4.34 0.05 -0.23 1.05 3.00 -1.26 -2.50 117.38 113.15 1h24 n GLN 131 Ca 0.24 0.29 0.06 0.00 -0.01 0.00 0.00 57.00 57.57 1h24 n GLN 131 Cb 1.05 -1.59 0.16 0.00 0.00 0.00 0.00 30.24 29.87 1h24 n GLN 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1h24 n ASN 132 N -1.69 3.05 -4.37 1.08 3.02 0.71 -4.87 115.26 112.20 1h24 n ASN 132 Ca 0.03 -2.36 -0.35 0.00 -0.03 0.00 0.00 54.58 51.86 1h24 n ASN 132 Cb 0.19 -0.31 -0.13 0.00 -0.61 0.00 0.00 39.78 38.92 1h24 n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1h24 s LEU 133 N -1.65 3.12 0.09 3.41 1.43 -1.09 -0.88 118.68 123.11 1h24 s LEU 133 Ca 0.26 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.11 1h24 s LEU 133 Cb 0.18 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 1h24 s LEU 133 CO 0.11 -0.01 0.00 -0.76 0.23 0.00 0.00 176.35 175.92 1h24 s LEU 134 N 1.43 3.47 0.07 1.79 1.43 -0.05 -0.91 118.68 125.92 1h24 s LEU 134 Ca 0.05 -0.18 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 1h24 s LEU 134 Cb -0.15 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 1h24 s LEU 134 CO -0.00 0.17 -0.13 0.27 0.23 0.00 0.00 176.35 176.89 1h24 s ILE 135 N -1.32 1.07 0.53 -0.59 -4.36 -0.00 -0.87 121.20 115.66 1h24 s ILE 135 Ca 0.26 -1.33 0.05 0.00 -0.26 0.00 0.00 60.65 59.36 1h24 s ILE 135 Cb -0.12 -1.08 0.03 0.00 1.25 0.00 0.00 42.46 42.54 1h24 s ILE 135 CO 0.18 -0.27 0.32 0.54 0.24 0.00 0.00 174.94 175.95 1h24 s ASN 136 N -1.82 4.53 0.00 4.36 2.20 -1.13 -2.85 114.94 120.24 1h24 s ASN 136 Ca -0.02 -1.32 0.00 0.00 -0.94 0.00 0.00 52.86 50.58 1h24 s ASN 136 Cb -0.09 0.41 0.00 0.00 -2.00 0.00 0.00 41.25 39.57 1h24 s ASN 136 CO 0.02 -1.04 0.64 0.35 -2.94 0.00 0.00 177.10 174.13 1h24 n THR 137 N -1.65 0.35 -1.15 0.54 -2.24 -1.26 -3.63 114.28 105.24 1h24 n THR 137 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1h24 n THR 137 Cb 0.65 -0.65 0.01 0.00 -2.10 0.00 0.00 70.33 68.23 1h24 n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1h24 n GLU 138 N 0.23 0.37 -0.15 -0.78 1.02 -1.26 -5.00 120.64 115.07 1h24 n GLU 138 Ca 0.00 -0.83 0.00 0.00 -0.02 0.00 0.00 57.16 56.31 1h24 n GLU 138 Cb 0.32 -0.60 0.00 0.00 -0.02 0.00 0.00 31.44 31.14 1h24 n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h24 n GLY 139 N -0.12 0.60 3.84 0.62 0.00 -1.24 -4.66 105.19 104.24 1h24 n GLY 139 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1h24 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h24 s ALA 140 N -2.28 3.67 0.16 4.61 0.00 -1.26 -4.81 121.76 121.85 1h24 s ALA 140 Ca 0.00 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 51.83 1h24 s ALA 140 Cb 0.00 -2.41 -0.04 0.00 0.00 0.00 0.00 23.12 20.67 1h24 s ALA 140 CO 0.00 0.49 -0.17 -1.50 0.00 0.00 0.00 175.76 174.58 1h24 s ILE 141 N -1.22 1.71 -0.07 0.00 2.07 -1.26 -2.83 121.20 119.60 1h24 s ILE 141 Ca 0.29 -1.93 -0.12 0.00 -1.41 0.00 0.00 60.65 57.48 1h24 s ILE 141 Cb -0.16 -1.82 0.02 0.00 0.13 0.00 0.00 42.46 40.64 1h24 s ILE 141 CO 0.16 -0.39 0.29 -0.54 -1.91 0.00 0.00 174.94 172.55 1h24 s LYS 142 N -2.93 0.48 0.08 3.50 1.02 -0.05 -4.57 119.74 117.27 1h24 s LYS 142 Ca 0.16 0.12 -0.31 0.00 0.02 0.00 0.00 55.97 55.96 1h24 s LYS 142 Cb -0.05 0.22 -0.07 0.00 -0.52 0.00 0.00 37.83 37.42 1h24 s LYS 142 CO 0.06 -0.10 1.29 -0.51 -0.92 0.00 0.00 175.35 175.17 1h24 s LEU 143 N -0.53 4.37 0.34 3.17 1.43 0.44 -0.87 118.68 127.04 1h24 s LEU 143 Ca -0.06 2.15 0.04 0.00 -1.03 0.00 0.00 54.13 55.23 1h24 s LEU 143 Cb -0.04 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 1h24 s LEU 143 CO 0.02 -0.56 0.15 0.00 0.23 0.00 0.00 176.35 176.19 1h24 s ALA 144 N 1.13 2.28 -0.22 4.21 0.00 -0.06 -0.39 121.76 128.72 1h24 s ALA 144 Ca 0.61 -1.65 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 1h24 s ALA 144 Cb -0.33 1.00 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1h24 s ALA 144 CO 0.29 -0.45 0.01 -3.47 0.00 0.00 0.00 175.76 172.15 1h24 n ASP 145 N -1.05 -7.59 -1.65 0.00 -0.08 -1.26 -4.80 116.55 100.11 1h24 n ASP 145 Ca -0.01 1.10 0.03 0.00 -1.51 0.00 0.00 54.79 54.41 1h24 n ASP 145 Cb 0.65 -4.18 0.33 0.00 2.34 0.00 0.00 41.12 40.26 1h24 n ASP 145 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1h24 n PHE 146 N 0.87 1.88 -0.18 -0.67 3.01 -1.26 -4.56 117.46 116.55 1h24 n PHE 146 Ca 0.00 -0.94 -0.03 0.00 1.01 0.00 0.00 57.45 57.49 1h24 n PHE 146 Cb 0.16 -0.52 0.17 0.00 -0.01 0.00 0.00 39.48 39.29 1h24 n PHE 146 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1h24 h GLY 147 N 2.95 1.01 0.44 1.37 0.00 -1.92 -2.05 103.07 104.88 1h24 h GLY 147 Ca 0.09 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1h24 h GLY 147 CO 0.50 0.50 -0.05 1.04 0.00 0.00 0.00 176.54 178.53 1h24 n LEU 148 N -4.30 0.71 -4.73 3.11 4.32 -1.26 -4.75 117.00 110.09 1h24 n LEU 148 Ca 0.05 -0.18 -0.32 0.00 -0.02 0.00 0.00 56.01 55.54 1h24 n LEU 148 Cb 0.18 -0.07 0.10 0.00 -1.62 0.00 0.00 43.42 42.01 1h24 n LEU 148 CO 0.39 0.12 0.73 0.00 -1.22 0.00 0.00 177.39 177.42 1h24 s ALA 149 N -2.18 2.09 -0.12 -1.18 0.00 -0.77 -4.71 121.76 114.89 1h24 s ALA 149 Ca 0.37 0.57 -0.16 0.00 0.00 0.00 0.00 51.96 52.75 1h24 s ALA 149 Cb 0.21 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.99 1h24 s ALA 149 CO 0.40 -1.91 0.41 -0.98 0.00 0.00 0.00 175.76 173.68 1h24 s ARG 150 N -4.39 0.56 -0.08 0.00 1.04 -0.57 -4.88 118.95 110.62 1h24 s ARG 150 Ca 0.67 0.40 -0.30 0.00 -1.04 0.00 0.00 55.73 55.46 1h24 s ARG 150 Cb -0.22 0.27 -0.04 0.00 -2.04 0.00 0.00 34.95 32.91 1h24 s ARG 150 CO 0.50 -0.10 1.42 0.00 -0.04 0.00 0.00 175.30 177.08 1h24 s ALA 151 N -0.20 3.62 0.36 7.88 0.00 -1.26 0.53 121.76 132.69 1h24 s ALA 151 Ca -0.04 0.72 0.07 0.00 0.00 0.00 0.00 51.96 52.72 1h24 s ALA 151 Cb -0.03 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.43 1h24 s ALA 151 CO 0.02 -1.15 0.48 -0.59 0.00 0.00 0.00 175.76 174.52 1h24 s PHE 152 N 3.31 3.00 0.46 0.00 -0.71 0.30 -4.93 117.98 119.41 1h24 s PHE 152 Ca 0.63 -0.28 0.08 0.00 -1.04 0.00 0.00 56.93 56.31 1h24 s PHE 152 Cb -0.28 -2.09 0.08 0.00 -1.21 0.00 0.00 43.02 39.51 1h24 s PHE 152 CO 0.23 -0.12 0.62 0.41 -1.34 0.00 0.00 175.22 175.02 1h24 n GLY 153 N -1.68 1.99 2.65 1.99 0.00 -1.26 -4.86 105.19 104.02 1h24 n GLY 153 Ca 0.02 -2.21 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 1h24 n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h24 s VAL 154 N -1.87 0.41 -0.13 1.61 1.01 -1.26 -1.93 120.40 118.23 1h24 s VAL 154 Ca 0.47 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 61.27 1h24 s VAL 154 Cb -0.04 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1h24 s VAL 154 CO 0.30 -0.63 0.56 -2.16 0.00 0.00 0.00 175.10 173.17 1h24 s PRO 155 N 1.86 4.32 0.04 2.72 0.04 -1.26 -5.11 135.00 137.61 1h24 s PRO 155 Ca 0.08 0.57 -0.30 0.00 0.04 0.00 0.00 61.00 61.38 1h24 s PRO 155 Cb -0.17 -3.48 -0.16 0.00 0.04 0.00 0.00 34.50 30.74 1h24 s PRO 155 CO -0.27 0.03 0.77 1.33 0.04 0.00 0.00 177.00 178.89 1h24 n VAL 156 N 3.99 0.37 -0.01 -0.36 0.24 -0.82 -4.98 118.33 116.77 1h24 n VAL 156 Ca -0.04 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1h24 n VAL 156 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 1h24 n VAL 156 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1h24 n ARG 157 N 1.13 3.34 -3.28 7.34 1.85 -1.26 -4.91 116.66 120.88 1h24 n ARG 157 Ca 0.16 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.61 1h24 n ARG 157 Cb 0.10 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.43 1h24 n ARG 157 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1h24 s THR 158 N 3.31 5.09 -0.04 8.89 2.01 -1.26 -4.51 115.64 129.12 1h24 s THR 158 Ca 0.00 0.75 -0.08 0.00 0.31 0.00 0.00 61.69 62.67 1h24 s THR 158 Cb 0.00 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1h24 s THR 158 CO 0.00 0.07 -0.15 -1.22 -0.69 0.00 0.00 174.62 172.63 1h24 n TYR 159 N 5.51 0.00 0.05 4.92 4.01 -1.26 -5.14 117.16 125.25 1h24 n TYR 159 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1h24 n TYR 159 Cb 0.50 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 1h24 n TYR 159 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1h24 n HIS 161 N -3.84 -0.69 -1.50 -0.72 -0.00 -1.26 -5.09 115.22 102.12 1h24 n HIS 161 Ca -0.10 0.12 -0.13 0.00 0.46 0.00 0.00 57.72 58.07 1h24 n HIS 161 Cb 0.32 0.26 -0.10 0.00 -0.12 0.00 0.00 29.99 30.36 1h24 n HIS 161 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1h24 n GLU 162 N -3.17 0.24 -4.44 1.57 4.07 -1.26 -4.80 120.64 112.86 1h24 n GLU 162 Ca 0.00 -1.03 -0.20 0.00 -0.06 0.00 0.00 57.16 55.88 1h24 n GLU 162 Cb 0.12 -3.23 -0.15 0.00 -0.06 0.00 0.00 31.44 28.12 1h24 n GLU 162 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1h24 s VAL 163 N 12.81 0.85 0.00 6.31 1.01 -1.26 -5.05 120.40 135.07 1h24 s VAL 163 Ca 0.82 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1h24 s VAL 163 Cb -0.15 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.50 1h24 s VAL 163 CO 0.17 0.20 0.00 0.52 0.00 0.00 0.00 175.10 175.99 1h24 n VAL 164 N 2.71 -0.99 -1.69 2.92 0.31 -1.15 -4.87 118.33 115.56 1h24 n VAL 164 Ca -0.14 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.75 1h24 n VAL 164 Cb 0.56 -0.77 -0.02 0.00 -0.91 0.00 0.00 33.84 32.70 1h24 n VAL 164 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1h24 n THR 165 N -0.58 0.96 -0.23 2.52 -1.04 -1.26 -4.77 114.28 109.88 1h24 n THR 165 Ca 0.00 -0.24 0.24 0.00 -2.04 0.00 0.00 64.05 62.01 1h24 n THR 165 Cb 0.00 -1.59 0.60 0.00 -1.82 0.00 0.00 70.33 67.53 1h24 n THR 165 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1h24 h LEU 166 N 4.36 0.24 -1.03 -4.42 5.85 -1.97 -1.52 115.31 116.83 1h24 h LEU 166 Ca -0.45 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.21 1h24 h LEU 166 Cb 1.26 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1h24 h LEU 166 CO 0.77 0.08 -0.42 -0.50 -0.34 0.00 0.00 178.44 178.02 1h24 h TRP 167 N 0.23 0.00 -0.34 1.25 4.06 -1.88 -2.95 115.95 116.31 1h24 h TRP 167 Ca 0.47 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.42 1h24 h TRP 167 Cb 1.45 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.61 1h24 h TRP 167 CO -0.00 0.42 0.00 0.66 -3.56 0.00 0.00 178.44 175.96 1h24 n TYR 168 N -3.74 0.96 -2.90 0.49 4.01 -0.59 -4.63 117.16 110.76 1h24 n TYR 168 Ca -0.01 -0.75 -0.40 0.00 -0.16 0.00 0.00 57.90 56.58 1h24 n TYR 168 Cb 0.50 -0.25 -0.05 0.00 -0.31 0.00 0.00 39.34 39.22 1h24 n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1h24 s ARG 169 N -2.27 4.60 0.38 -0.72 3.52 -1.07 -3.90 118.95 119.49 1h24 s ARG 169 Ca 0.39 1.22 -0.25 0.00 -0.13 0.00 0.00 55.73 56.96 1h24 s ARG 169 Cb 0.29 -3.33 -0.09 0.00 -1.56 0.00 0.00 34.95 30.26 1h24 s ARG 169 CO 0.13 0.36 1.06 0.00 -0.81 0.00 0.00 175.30 176.03 1h24 s ALA 170 N -0.41 3.14 0.50 6.12 0.00 -1.26 -4.91 121.76 124.94 1h24 s ALA 170 Ca 0.40 0.74 0.24 0.00 0.00 0.00 0.00 51.96 53.35 1h24 s ALA 170 Cb -0.22 -3.28 1.32 0.00 0.00 0.00 0.00 23.12 20.93 1h24 s ALA 170 CO 0.26 -0.21 1.93 -1.00 0.00 0.00 0.00 175.76 176.74 1h24 h PRO 171 N 2.75 0.13 0.66 0.00 0.13 -1.96 0.12 132.00 133.82 1h24 h PRO 171 Ca -0.48 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1h24 h PRO 171 Cb 1.22 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1h24 h PRO 171 CO 0.63 0.08 -0.47 1.05 -0.23 0.00 0.00 178.00 179.06 1h24 h GLU 172 N 0.13 -1.04 -0.07 0.86 4.11 -1.91 0.12 114.58 116.77 1h24 h GLU 172 Ca 0.36 0.07 0.02 0.00 0.07 0.00 0.00 59.36 59.88 1h24 h GLU 172 Cb 1.22 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.70 1h24 h GLU 172 CO -0.05 -0.70 0.06 0.82 0.07 0.00 0.00 179.01 179.22 1h24 h ILE 173 N -1.08 0.75 0.12 -1.06 2.04 -1.34 -0.20 117.51 116.73 1h24 h ILE 173 Ca -0.09 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.50 1h24 h ILE 173 Cb 0.89 0.95 0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1h24 h ILE 173 CO 0.04 0.00 -1.21 -0.07 0.00 0.00 0.00 178.15 176.91 1h24 h LEU 174 N 0.00 0.47 0.00 1.44 3.38 -1.10 -2.62 115.31 116.88 1h24 h LEU 174 Ca 0.03 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1h24 h LEU 174 Cb 0.16 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1h24 h LEU 174 CO -0.00 1.36 0.00 0.18 0.09 0.00 0.00 178.44 180.07 1h24 n LEU 175 N -3.58 0.00 -2.23 1.67 4.77 0.38 -4.86 117.00 113.15 1h24 n LEU 175 Ca -0.09 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.77 1h24 n LEU 175 Cb 1.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.14 1h24 n LEU 175 CO 0.54 0.00 0.12 0.61 -1.33 0.00 0.00 177.39 177.33 1h24 n GLY 176 N 0.67 0.11 3.67 -0.72 0.00 -0.67 -2.09 105.19 106.15 1h24 n GLY 176 Ca 0.19 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1h24 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h24 n LYS 178 N -4.13 0.64 -4.82 0.00 2.85 -1.26 -4.88 118.16 106.55 1h24 n LYS 178 Ca 0.08 0.14 -0.25 0.00 -1.05 0.00 0.00 58.31 57.23 1h24 n LYS 178 Cb 0.54 -1.73 -0.16 0.00 -0.65 0.00 0.00 35.03 33.03 1h24 n LYS 178 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1h24 s TYR 179 N -2.93 1.62 0.15 5.58 2.02 -1.26 -4.39 117.35 118.14 1h24 s TYR 179 Ca -0.05 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.27 1h24 s TYR 179 Cb 0.09 -1.08 -0.04 0.00 -0.40 0.00 0.00 41.96 40.53 1h24 s TYR 179 CO 0.83 -0.11 -0.01 1.52 -1.57 0.00 0.00 175.55 176.20 1h24 s TYR 180 N -0.13 1.08 0.00 2.71 -0.85 -1.26 -5.01 117.35 113.90 1h24 s TYR 180 Ca 0.00 -1.01 0.00 0.00 -0.52 0.00 0.00 57.07 55.55 1h24 s TYR 180 Cb -0.10 -0.62 0.00 0.00 0.38 0.00 0.00 41.96 41.63 1h24 s TYR 180 CO 0.01 -0.22 0.00 -1.13 -1.52 0.00 0.00 175.55 172.69 1h24 n SER 181 N -0.17 0.00 -0.56 -0.18 3.41 -1.26 -4.92 113.62 109.94 1h24 n SER 181 Ca -0.08 0.00 0.45 0.00 -0.26 0.00 0.00 58.87 58.98 1h24 n SER 181 Cb 0.62 0.00 0.74 0.00 -0.26 0.00 0.00 64.21 65.32 1h24 n SER 181 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1h24 h THR 182 N 0.00 0.08 -1.00 6.66 1.35 -2.00 -0.99 112.91 117.00 1h24 h THR 182 Ca 0.00 -0.01 0.09 0.00 -0.55 0.00 0.00 66.41 65.94 1h24 h THR 182 Cb 0.00 0.05 -0.07 0.00 -1.73 0.00 0.00 68.15 66.39 1h24 h THR 182 CO 0.00 0.00 0.64 0.00 -0.25 0.00 0.00 175.52 175.92 1h24 h ALA 183 N 1.32 1.43 -0.08 6.62 0.00 -1.94 0.17 119.26 126.77 1h24 h ALA 183 Ca 0.86 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.79 1h24 h ALA 183 Cb 3.14 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 20.66 1h24 h ALA 183 CO -0.21 0.36 0.15 -0.39 0.00 0.00 0.00 179.25 179.16 1h24 h VAL 184 N 1.11 0.27 0.14 0.00 -1.51 -1.58 0.32 116.25 115.00 1h24 h VAL 184 Ca 0.46 0.00 -0.30 0.00 -1.23 0.00 0.00 66.70 65.63 1h24 h VAL 184 Cb 0.28 0.87 0.03 0.00 -2.13 0.00 0.00 31.29 30.34 1h24 h VAL 184 CO -0.21 0.00 -1.28 0.44 -1.23 0.00 0.00 177.57 175.30 1h24 h ASP 185 N 0.00 0.79 -0.72 4.19 3.32 -1.13 -3.11 116.42 119.76 1h24 h ASP 185 Ca 0.04 -0.76 0.00 0.00 0.02 0.00 0.00 57.03 56.33 1h24 h ASP 185 Cb 0.33 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 1h24 h ASP 185 CO -0.00 1.57 0.47 0.40 -1.72 0.00 0.00 179.24 179.96 1h24 h ILE 186 N 0.22 1.19 -0.08 0.35 1.08 -0.33 -1.71 117.51 118.23 1h24 h ILE 186 Ca -0.19 -0.37 0.03 0.00 -0.39 0.00 0.00 64.86 63.94 1h24 h ILE 186 Cb 1.96 0.15 -0.03 0.00 -3.07 0.00 0.00 36.82 35.82 1h24 h ILE 186 CO 0.24 0.19 -0.10 -0.25 -0.69 0.00 0.00 178.15 177.54 1h24 h TRP 187 N 0.98 -0.25 -0.52 1.37 2.91 -1.27 0.31 115.95 119.47 1h24 h TRP 187 Ca 0.26 0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.39 1h24 h TRP 187 Cb -0.09 0.12 -0.07 0.00 -0.51 0.00 0.00 29.16 28.61 1h24 h TRP 187 CO -0.02 -0.15 0.11 0.77 -1.03 0.00 0.00 178.44 178.11 1h24 h SER 188 N -0.13 0.00 -0.98 2.65 0.02 -1.38 0.18 113.55 113.91 1h24 h SER 188 Ca 0.07 0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1h24 h SER 188 Cb 0.23 0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.84 1h24 h SER 188 CO -0.16 0.03 0.65 -0.07 -1.14 0.00 0.00 176.83 176.13 1h24 h LEU 189 N 0.24 1.10 0.01 5.07 3.38 -0.58 0.24 115.31 124.78 1h24 h LEU 189 Ca 0.26 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.24 1h24 h LEU 189 Cb 0.36 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1h24 h LEU 189 CO -0.34 0.78 -0.20 1.23 0.09 0.00 0.00 178.44 179.99 1h24 h GLY 190 N 1.29 -0.29 0.61 0.83 0.00 0.24 0.60 103.07 106.35 1h24 h GLY 190 Ca 0.37 0.24 0.07 0.00 0.00 0.00 0.00 47.33 48.02 1h24 h GLY 190 CO -0.10 -0.18 0.38 0.00 0.00 0.00 0.00 176.54 176.64 1h24 h ILE 192 N 0.69 0.86 -0.79 0.00 2.04 0.46 0.67 117.51 121.42 1h24 h ILE 192 Ca 0.32 -0.33 0.13 0.00 1.00 0.00 0.00 64.86 65.98 1h24 h ILE 192 Cb 0.25 1.06 -0.14 0.00 -0.74 0.00 0.00 36.82 37.25 1h24 h ILE 192 CO -0.21 0.08 -0.34 0.15 0.00 0.00 0.00 178.15 177.82 1h24 h PHE 193 N -0.44 -0.94 -0.84 1.37 3.57 0.60 0.12 116.94 120.37 1h24 h PHE 193 Ca -0.03 0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1h24 h PHE 193 Cb 0.34 0.53 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 1h24 h PHE 193 CO -0.02 -0.39 0.48 0.00 -2.23 0.00 0.00 178.31 176.15 1h24 h ALA 194 N 1.26 1.27 -0.61 2.41 0.00 -0.68 -2.62 119.26 120.28 1h24 h ALA 194 Ca 0.30 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1h24 h ALA 194 Cb 0.58 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1h24 h ALA 194 CO -0.84 0.61 0.22 1.49 0.00 0.00 0.00 179.25 180.73 1h24 h GLU 195 N 1.16 0.92 -0.37 0.00 4.81 0.15 -2.59 114.58 118.67 1h24 h GLU 195 Ca 0.30 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1h24 h GLU 195 Cb -0.01 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1h24 h GLU 195 CO -0.05 0.80 0.22 0.52 -0.73 0.00 0.00 179.01 179.77 1h24 h MET 196 N 0.85 0.43 0.09 1.92 2.86 -0.81 3.91 114.93 124.18 1h24 h MET 196 Ca 0.20 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.83 1h24 h MET 196 Cb 0.24 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1h24 h MET 196 CO -0.01 0.29 -0.23 0.28 1.06 0.00 0.00 176.91 178.30 1h24 h VAL 197 N 0.45 0.49 0.00 -2.22 2.07 -1.21 -3.12 116.25 112.70 1h24 h VAL 197 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1h24 h VAL 197 Cb -0.00 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1h24 h VAL 197 CO -0.06 0.00 -1.06 0.35 0.02 0.00 0.00 177.57 176.82 1h24 n THR 198 N -5.35 0.00 -1.68 2.57 -2.24 -1.00 -4.88 114.28 101.70 1h24 n THR 198 Ca -0.06 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1h24 n THR 198 Cb 0.26 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 1h24 n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1h24 n ARG 199 N -1.57 -3.85 -0.02 -0.78 1.74 1.29 -5.02 116.66 108.46 1h24 n ARG 199 Ca 0.03 2.83 0.00 0.00 -0.77 0.00 0.00 57.85 59.94 1h24 n ARG 199 Cb 0.35 -3.28 0.00 0.00 -1.02 0.00 0.00 32.46 28.51 1h24 n ARG 199 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1h24 n ARG 200 N -0.27 0.00 -1.69 5.56 1.85 -1.24 -4.96 116.66 115.92 1h24 n ARG 200 Ca 0.00 0.02 -0.44 0.00 -1.00 0.00 0.00 57.85 56.43 1h24 n ARG 200 Cb 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.39 1h24 n ARG 200 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1h24 n ALA 201 N 2.71 1.45 0.20 2.89 0.00 -1.26 -4.56 120.51 121.94 1h24 n ALA 201 Ca 0.00 0.40 0.04 0.00 0.00 0.00 0.00 53.44 53.88 1h24 n ALA 201 Cb 0.00 -2.32 0.47 0.00 0.00 0.00 0.00 19.45 17.60 1h24 n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1h24 h LEU 202 N 4.23 0.05 -5.71 0.00 5.85 -1.91 -3.38 115.31 114.44 1h24 h LEU 202 Ca -0.46 -0.01 -0.39 0.00 0.84 0.00 0.00 57.88 57.86 1h24 h LEU 202 Cb 1.26 -0.01 -0.28 0.00 0.37 0.00 0.00 40.66 42.00 1h24 h LEU 202 CO 0.76 0.24 -0.77 0.49 -0.34 0.00 0.00 178.44 178.81 1h24 n PHE 203 N -4.30 -2.18 -2.07 1.25 3.72 -1.26 -4.99 117.46 107.64 1h24 n PHE 203 Ca -0.02 -2.47 -0.41 0.00 -0.05 0.00 0.00 57.45 54.50 1h24 n PHE 203 Cb 0.26 0.77 -0.00 0.00 -0.94 0.00 0.00 39.48 39.57 1h24 n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1h24 n PRO 204 N 2.64 4.41 -2.08 -1.08 -0.05 -1.26 -4.53 135.00 133.06 1h24 n PRO 204 Ca 0.23 -3.49 -0.37 0.00 -0.05 0.00 0.00 63.50 59.83 1h24 n PRO 204 Cb 0.53 -2.69 0.02 0.00 -0.05 0.00 0.00 33.50 31.31 1h24 n PRO 204 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 175.50 175.65 1h24 s GLY 205 N 0.44 2.78 -0.08 0.55 0.00 -1.26 -4.95 107.32 104.80 1h24 s GLY 205 Ca 0.51 1.04 0.18 0.00 0.00 0.00 0.00 44.72 46.45 1h24 s GLY 205 CO -0.07 1.48 1.55 2.09 0.00 0.00 0.00 173.10 178.15 1h24 n ASP 206 N -1.02 4.32 -3.64 1.64 5.68 -1.26 -4.86 116.55 117.41 1h24 n ASP 206 Ca 0.10 -2.34 -0.02 0.00 -0.50 0.00 0.00 54.79 52.03 1h24 n ASP 206 Cb 0.48 -0.52 -0.02 0.00 -1.14 0.00 0.00 41.12 39.92 1h24 n ASP 206 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1h24 s SER 207 N -1.01 -0.02 0.29 -1.12 1.04 -1.26 -4.99 113.70 106.63 1h24 s SER 207 Ca 0.47 0.00 0.03 0.00 0.48 0.00 0.00 55.95 56.93 1h24 s SER 207 Cb 0.29 0.02 0.65 0.00 0.10 0.00 0.00 66.02 67.08 1h24 s SER 207 CO 0.24 -0.03 1.78 -0.33 0.98 0.00 0.00 173.24 175.89 1h24 h GLU 208 N 2.00 0.76 -0.11 4.02 5.08 -1.98 0.11 114.58 124.46 1h24 h GLU 208 Ca -0.02 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.07 1h24 h GLU 208 Cb 1.13 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 30.22 1h24 h GLU 208 CO 0.19 0.50 -0.81 0.97 -1.00 0.00 0.00 179.01 178.85 1h24 h ILE 209 N 0.78 1.29 -0.82 3.13 6.09 -1.97 -2.76 117.51 123.25 1h24 h ILE 209 Ca 0.54 -2.03 -0.04 0.00 -1.37 0.00 0.00 64.86 61.96 1h24 h ILE 209 Cb 0.76 2.12 -0.04 0.00 0.47 0.00 0.00 36.82 40.13 1h24 h ILE 209 CO -0.35 0.64 0.37 -0.78 -3.07 0.00 0.00 178.15 174.95 1h24 h ASP 210 N 0.45 1.08 -0.27 2.19 3.58 -1.72 -0.80 116.42 120.94 1h24 h ASP 210 Ca -0.07 -0.14 0.06 0.00 0.42 0.00 0.00 57.03 57.30 1h24 h ASP 210 Cb 1.46 -0.28 -0.07 0.00 1.72 0.00 0.00 39.33 42.16 1h24 h ASP 210 CO 0.17 0.93 -0.17 -0.61 -2.88 0.00 0.00 179.24 176.67 1h24 h GLN 211 N 1.17 -0.15 -0.11 0.28 5.75 -0.78 -0.89 115.11 120.39 1h24 h GLN 211 Ca 0.28 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.78 1h24 h GLN 211 Cb 0.15 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 1h24 h GLN 211 CO -0.03 -0.10 0.05 -0.07 -2.65 0.00 0.00 178.83 176.04 1h24 h LEU 212 N -0.15 0.14 -2.36 -2.39 3.38 -0.87 -1.64 115.31 111.42 1h24 h LEU 212 Ca 0.14 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1h24 h LEU 212 Cb 0.37 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1h24 h LEU 212 CO -0.36 0.21 -0.03 -0.26 0.09 0.00 0.00 178.44 178.10 1h24 h PHE 213 N 0.06 0.00 0.06 1.13 0.04 -1.27 -1.21 116.94 115.75 1h24 h PHE 213 Ca 0.04 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.57 1h24 h PHE 213 Cb 0.11 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.25 1h24 h PHE 213 CO -0.03 0.03 -1.08 0.00 -0.60 0.00 0.00 178.31 176.62 1h24 h ARG 214 N 0.00 0.23 -0.23 1.51 3.08 -0.27 -2.54 114.38 116.16 1h24 h ARG 214 Ca -0.00 -0.33 -0.18 0.00 0.07 0.00 0.00 59.98 59.54 1h24 h ARG 214 Cb 0.19 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1h24 h ARG 214 CO 0.00 1.11 -0.57 0.82 -1.07 0.00 0.00 179.97 180.26 1h24 h ILE 215 N 0.09 1.29 0.19 2.04 2.04 -0.46 -3.22 117.51 119.48 1h24 h ILE 215 Ca -0.09 -1.77 -0.01 0.00 1.00 0.00 0.00 64.86 63.99 1h24 h ILE 215 Cb 1.78 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 39.66 1h24 h ILE 215 CO 0.17 0.57 -0.09 -0.26 0.00 0.00 0.00 178.15 178.54 1h24 h PHE 216 N 0.53 -0.24 0.00 1.37 0.04 -1.33 0.04 116.94 117.35 1h24 h PHE 216 Ca -0.01 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1h24 h PHE 216 Cb 1.19 0.08 0.00 0.00 2.20 0.00 0.00 35.95 39.41 1h24 h PHE 216 CO 0.08 0.11 0.08 2.89 -0.60 0.00 0.00 178.31 180.87 1h24 n ARG 217 N -5.04 0.00 -0.09 1.51 1.85 -0.96 0.14 116.66 114.06 1h24 n ARG 217 Ca -0.09 0.38 -0.20 0.00 -1.00 0.00 0.00 57.85 56.94 1h24 n ARG 217 Cb 0.24 -1.58 -0.07 0.00 -1.05 0.00 0.00 32.46 30.01 1h24 n ARG 217 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1h24 n THR 218 N -1.37 1.08 -0.13 8.89 -1.04 -0.90 -4.61 114.28 116.19 1h24 n THR 218 Ca 0.00 -0.23 0.11 0.00 -2.04 0.00 0.00 64.05 61.89 1h24 n THR 218 Cb 0.08 -1.79 0.30 0.00 -1.82 0.00 0.00 70.33 67.09 1h24 n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1h24 n LEU 219 N -3.88 3.59 -0.25 -4.42 4.77 -0.05 -2.99 117.00 113.77 1h24 n LEU 219 Ca -0.36 -1.79 0.00 0.00 -0.03 0.00 0.00 56.01 53.83 1h24 n LEU 219 Cb 0.74 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1h24 n LEU 219 CO 0.03 0.89 -0.07 0.61 -1.33 0.00 0.00 177.39 177.52 1h24 n GLY 220 N 1.56 -3.31 3.64 -0.72 0.00 0.36 -4.66 105.19 102.06 1h24 n GLY 220 Ca 0.22 -1.05 -0.47 0.00 0.00 0.00 0.00 46.02 44.72 1h24 n GLY 220 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1h24 n THR 221 N -0.85 0.47 -2.73 2.61 -1.04 -0.89 -4.69 114.28 107.16 1h24 n THR 221 Ca 0.00 -0.12 -0.32 0.00 -2.04 0.00 0.00 64.05 61.57 1h24 n THR 221 Cb 0.00 -1.24 -0.05 0.00 -1.82 0.00 0.00 70.33 67.22 1h24 n THR 221 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1h24 s PRO 222 N 0.16 4.04 0.31 -2.82 0.02 -1.26 -4.88 135.00 130.57 1h24 s PRO 222 Ca 0.75 0.91 0.04 0.00 0.02 0.00 0.00 61.00 62.73 1h24 s PRO 222 Cb -0.76 -2.23 -0.03 0.00 0.02 0.00 0.00 34.50 31.50 1h24 s PRO 222 CO 0.46 -0.08 0.19 0.16 -0.33 0.00 0.00 177.00 177.40 1h24 s ASP 223 N -2.62 1.49 0.59 2.53 1.47 -1.26 -4.97 116.67 113.91 1h24 s ASP 223 Ca 0.58 -1.61 0.34 0.00 1.18 0.00 0.00 52.55 53.04 1h24 s ASP 223 Cb -0.10 0.45 1.88 0.00 -0.34 0.00 0.00 42.92 44.81 1h24 s ASP 223 CO 0.22 -0.94 2.22 -0.33 0.68 0.00 0.00 175.17 177.02 1h24 h GLU 224 N 2.21 0.00 0.07 2.11 4.39 -1.97 0.15 114.58 121.54 1h24 h GLU 224 Ca -0.31 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.38 1h24 h GLU 224 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1h24 h GLU 224 CO 0.47 0.03 -0.04 0.28 -1.16 0.00 0.00 179.01 178.60 1h24 h VAL 225 N 0.00 1.00 0.00 3.13 2.07 -1.99 -2.91 116.25 117.55 1h24 h VAL 225 Ca -0.00 -0.26 -0.21 0.00 0.82 0.00 0.00 66.70 67.05 1h24 h VAL 225 Cb 0.14 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1h24 h VAL 225 CO 0.00 0.07 -1.43 1.62 0.02 0.00 0.00 177.57 177.85 1h24 h VAL 226 N -0.22 0.68 -2.28 2.57 3.04 -1.89 -3.42 116.25 114.73 1h24 h VAL 226 Ca -0.01 -2.30 -0.56 0.00 -1.01 0.00 0.00 66.70 62.82 1h24 h VAL 226 Cb 0.18 2.21 -0.37 0.00 -2.01 0.00 0.00 31.29 31.31 1h24 h VAL 226 CO 0.02 0.39 -0.94 0.86 -1.01 0.00 0.00 177.57 176.89 1h24 s TRP 227 N -2.81 0.87 0.17 3.17 -0.00 0.49 -4.69 118.94 116.13 1h24 s TRP 227 Ca -0.03 -2.15 -0.33 0.00 -0.00 0.00 0.00 56.10 53.59 1h24 s TRP 227 Cb 0.08 -0.82 -0.15 0.00 -0.00 0.00 0.00 33.47 32.58 1h24 s TRP 227 CO 0.81 -0.86 1.34 -2.30 -0.00 0.00 0.00 176.95 175.94 1h24 n PRO 228 N 2.94 1.57 0.00 5.86 -0.02 -1.10 -1.97 135.00 142.29 1h24 n PRO 228 Ca 0.28 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1h24 n PRO 228 Cb 0.48 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1h24 n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h24 n GLY 229 N 2.39 1.23 0.00 -1.23 0.00 -1.26 -5.00 105.19 101.33 1h24 n GLY 229 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1h24 n GLY 229 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1h24 n VAL 230 N -1.82 0.00 -0.47 1.61 0.31 -0.83 -2.02 118.33 115.12 1h24 n VAL 230 Ca 0.00 1.45 0.38 0.00 -0.01 0.00 0.00 64.34 66.16 1h24 n VAL 230 Cb 0.00 -2.13 0.67 0.00 -0.91 0.00 0.00 33.84 31.47 1h24 n VAL 230 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1h24 h THR 231 N 0.00 0.15 -0.06 2.52 1.35 -1.93 0.73 112.91 115.67 1h24 h THR 231 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1h24 h THR 231 Cb 0.00 0.06 0.00 0.00 -1.73 0.00 0.00 68.15 66.48 1h24 h THR 231 CO 0.00 0.02 0.00 -1.20 -0.25 0.00 0.00 175.52 174.09 1h24 n SER 232 N -4.55 0.74 -4.75 5.36 7.64 -0.86 -4.76 113.62 112.45 1h24 n SER 232 Ca 0.37 -1.49 -0.40 0.00 1.01 0.00 0.00 58.87 58.36 1h24 n SER 232 Cb 1.47 -0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 64.58 1h24 n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1h24 s MET 233 N -1.92 4.75 0.56 1.43 -1.94 0.25 -4.94 119.30 117.48 1h24 s MET 233 Ca 0.33 1.59 0.31 0.00 -1.71 0.00 0.00 55.69 56.21 1h24 s MET 233 Cb 0.16 -3.27 1.47 0.00 2.01 0.00 0.00 34.83 35.20 1h24 s MET 233 CO 0.26 0.35 1.86 -1.35 -0.01 0.00 0.00 175.02 176.12 1h24 h PRO 234 N 4.37 0.00 -0.02 2.03 0.11 -1.85 -0.55 132.00 136.09 1h24 h PRO 234 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1h24 h PRO 234 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1h24 h PRO 234 CO 0.69 0.00 -0.24 -0.25 -0.21 0.00 0.00 178.00 177.99 1h24 n ASP 235 N -4.05 2.24 -4.76 -2.05 8.00 -0.89 -4.96 116.55 110.09 1h24 n ASP 235 Ca 0.17 -1.62 -0.41 0.00 0.71 0.00 0.00 54.79 53.64 1h24 n ASP 235 Cb 0.94 0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 42.29 1h24 n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1h24 s TYR 236 N -2.01 3.07 -0.12 1.24 6.14 -0.22 -4.98 117.35 120.46 1h24 s TYR 236 Ca 0.20 1.23 0.02 0.00 0.64 0.00 0.00 57.07 59.16 1h24 s TYR 236 Cb 0.17 -3.72 0.01 0.00 0.42 0.00 0.00 41.96 38.84 1h24 s TYR 236 CO 0.40 -2.18 -0.17 0.15 0.64 0.00 0.00 175.55 174.39 1h24 s LYS 237 N -0.99 2.44 0.30 4.97 -0.14 -1.26 -4.93 119.74 120.13 1h24 s LYS 237 Ca 0.54 -0.64 0.05 0.00 -1.36 0.00 0.00 55.97 54.56 1h24 s LYS 237 Cb -0.40 -2.06 0.70 0.00 -1.68 0.00 0.00 37.83 34.39 1h24 s LYS 237 CO 0.47 -0.08 1.79 -1.35 -0.76 0.00 0.00 175.35 175.42 1h24 h PRO 238 N 7.48 0.78 0.00 -1.68 0.11 -1.95 -0.12 132.00 136.62 1h24 h PRO 238 Ca -0.33 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1h24 h PRO 238 Cb 1.17 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1h24 h PRO 238 CO 0.51 0.51 0.00 0.66 -0.21 0.00 0.00 178.00 179.48 1h24 h SER 239 N 0.80 0.00 -0.83 -2.05 4.64 -2.03 -3.44 113.55 110.64 1h24 h SER 239 Ca 0.56 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 61.18 1h24 h SER 239 Cb 0.82 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.93 1h24 h SER 239 CO -0.36 0.00 0.37 0.49 -0.87 0.00 0.00 176.83 176.45 1h24 n PHE 240 N -3.04 1.09 -0.91 4.77 3.72 -0.06 -4.78 117.46 118.25 1h24 n PHE 240 Ca -0.02 0.93 -0.34 0.00 -0.05 0.00 0.00 57.45 57.97 1h24 n PHE 240 Cb 0.10 -1.81 0.11 0.00 -0.94 0.00 0.00 39.48 36.95 1h24 n PHE 240 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1h24 n PRO 241 N 2.50 -0.14 -3.78 -1.08 -0.02 -1.26 -4.92 135.00 126.30 1h24 n PRO 241 Ca 0.22 0.01 -0.32 0.00 -2.02 0.00 0.00 63.50 61.39 1h24 n PRO 241 Cb -0.00 -1.90 -0.10 0.00 -0.02 0.00 0.00 33.50 31.48 1h24 n PRO 241 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1h24 s LYS 242 N -3.50 2.81 0.58 -0.52 1.02 -1.26 -4.83 119.74 114.04 1h24 s LYS 242 Ca 0.60 -3.27 -0.16 0.00 0.02 0.00 0.00 55.97 53.16 1h24 s LYS 242 Cb -0.25 -3.66 -0.04 0.00 -0.52 0.00 0.00 37.83 33.36 1h24 s LYS 242 CO 0.64 -1.27 1.05 -1.58 -0.92 0.00 0.00 175.35 173.27 1h24 s TRP 243 N -1.33 3.05 0.07 3.18 0.51 -1.26 -4.88 118.94 118.27 1h24 s TRP 243 Ca 0.25 1.51 -0.07 0.00 -2.12 0.00 0.00 56.10 55.67 1h24 s TRP 243 Cb -0.07 -2.98 -0.05 0.00 -0.81 0.00 0.00 33.47 29.56 1h24 s TRP 243 CO -0.14 -1.01 0.34 0.00 -0.51 0.00 0.00 176.95 175.63 1h24 s ALA 244 N -2.46 3.80 0.57 0.98 0.00 -1.26 -2.10 121.76 121.28 1h24 s ALA 244 Ca 0.63 -0.51 -0.20 0.00 0.00 0.00 0.00 51.96 51.88 1h24 s ALA 244 Cb -0.15 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 1h24 s ALA 244 CO 0.36 0.63 1.09 -2.13 0.00 0.00 0.00 175.76 175.70 1h24 n ARG 245 N 0.76 1.16 -3.99 0.00 0.63 -1.26 -4.46 116.66 109.50 1h24 n ARG 245 Ca -0.08 0.44 -0.27 0.00 -0.92 0.00 0.00 57.85 57.03 1h24 n ARG 245 Cb 0.52 -2.27 -0.04 0.00 0.45 0.00 0.00 32.46 31.12 1h24 n ARG 245 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1h24 s GLN 246 N -2.73 3.26 -0.56 -0.14 -0.21 -1.16 -4.91 119.66 113.21 1h24 s GLN 246 Ca 0.74 -0.67 -0.26 0.00 0.02 0.00 0.00 55.36 55.18 1h24 s GLN 246 Cb -0.43 -2.87 -0.05 0.00 1.00 0.00 0.00 33.01 30.66 1h24 s GLN 246 CO 0.48 0.52 2.19 0.34 -2.12 0.00 0.00 175.29 176.70 1h24 s ASP 247 N -3.12 4.75 0.63 5.90 3.68 -1.26 -4.80 116.67 122.45 1h24 s ASP 247 Ca 0.33 0.72 0.25 0.00 2.13 0.00 0.00 52.55 55.98 1h24 s ASP 247 Cb -0.11 -2.51 1.24 0.00 -1.45 0.00 0.00 42.92 40.08 1h24 s ASP 247 CO 0.27 -2.72 1.69 -0.26 0.13 0.00 0.00 175.17 174.27 1h24 h PHE 248 N 17.44 0.00 -0.03 -5.34 -1.00 -1.95 1.93 116.94 128.00 1h24 h PHE 248 Ca -0.23 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.55 1h24 h PHE 248 Cb 1.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.77 1h24 h PHE 248 CO 1.00 0.00 0.00 -1.13 -1.61 0.00 0.00 178.31 176.57 1h24 n SER 249 N -3.20 0.24 -0.01 2.17 3.41 -1.26 -0.43 113.62 114.55 1h24 n SER 249 Ca 0.06 -1.54 -0.01 0.00 -0.26 0.00 0.00 58.87 57.13 1h24 n SER 249 Cb 0.75 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.67 1h24 n SER 249 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1h24 n LYS 250 N -0.60 3.03 -0.00 4.33 4.76 0.64 -4.19 118.16 126.13 1h24 n LYS 250 Ca 0.12 -0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.43 1h24 n LYS 250 Cb 0.09 -1.04 -0.09 0.00 -1.84 0.00 0.00 35.03 32.15 1h24 n LYS 250 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1h24 h VAL 251 N 0.00 1.28 -2.55 -0.18 2.07 -0.83 -3.36 116.25 112.68 1h24 h VAL 251 Ca -0.04 -0.83 -0.60 0.00 0.82 0.00 0.00 66.70 66.05 1h24 h VAL 251 Cb 0.91 1.82 -0.41 0.00 -1.52 0.00 0.00 31.29 32.10 1h24 h VAL 251 CO 0.00 0.22 -0.75 0.52 0.02 0.00 0.00 177.57 177.58 1h24 n VAL 252 N -4.91 0.80 -0.24 2.57 0.31 0.43 -5.01 118.33 112.28 1h24 n VAL 252 Ca -0.08 -4.49 -0.11 0.00 -0.01 0.00 0.00 64.34 59.66 1h24 n VAL 252 Cb 0.19 -2.01 -0.07 0.00 -0.91 0.00 0.00 33.84 31.04 1h24 n VAL 252 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1h24 h PRO 253 N 4.96 -0.23 -0.35 5.55 0.11 -1.73 -2.04 132.00 138.27 1h24 h PRO 253 Ca 0.18 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1h24 h PRO 253 Cb 0.79 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1h24 h PRO 253 CO 0.63 -0.15 0.00 -2.30 -0.21 0.00 0.00 178.00 175.97 1h24 n PRO 254 N -5.36 0.76 -4.10 1.05 -0.02 -1.26 -4.80 135.00 121.27 1h24 n PRO 254 Ca -0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.13 1h24 n PRO 254 Cb 0.33 -1.18 -0.12 0.00 -0.02 0.00 0.00 33.50 32.51 1h24 n PRO 254 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1h24 s LEU 255 N -0.54 3.36 1.41 2.45 2.96 -0.77 -5.10 118.68 122.45 1h24 s LEU 255 Ca 0.00 -0.14 -0.23 0.00 -0.22 0.00 0.00 54.13 53.54 1h24 s LEU 255 Cb 0.00 -1.85 0.36 0.00 0.50 0.00 0.00 46.19 45.20 1h24 s LEU 255 CO 0.00 0.09 0.95 1.51 -1.32 0.00 0.00 176.35 177.59 1h24 s ASP 256 N 0.83 -0.92 0.22 3.68 -4.77 -1.26 -4.68 116.67 109.77 1h24 s ASP 256 Ca 0.01 0.78 -0.09 0.00 -3.30 0.00 0.00 52.55 49.95 1h24 s ASP 256 Cb -0.14 -1.08 0.20 0.00 -1.09 0.00 0.00 42.92 40.81 1h24 s ASP 256 CO 0.02 -5.27 1.89 -0.08 0.70 0.00 0.00 175.17 172.43 1h24 h GLU 257 N -3.36 1.06 0.51 2.11 4.81 -2.00 -2.27 114.58 115.44 1h24 h GLU 257 Ca -0.42 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 1h24 h GLU 257 Cb 1.33 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1h24 h GLU 257 CO 0.27 0.70 -0.24 -0.44 -0.73 0.00 0.00 179.01 178.57 1h24 h ASP 258 N 1.09 -0.58 -0.70 1.04 3.32 -1.96 -3.07 116.42 115.57 1h24 h ASP 258 Ca 0.31 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.40 1h24 h ASP 258 Cb -0.09 0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 1h24 h ASP 258 CO -0.08 -0.37 0.41 1.23 -1.72 0.00 0.00 179.24 178.71 1h24 h GLY 259 N -0.74 1.03 0.63 2.75 0.00 -1.87 -2.57 103.07 102.29 1h24 h GLY 259 Ca -0.07 -0.29 0.08 0.00 0.00 0.00 0.00 47.33 47.05 1h24 h GLY 259 CO 0.11 0.19 0.57 3.21 0.00 0.00 0.00 176.54 180.63 1h24 h ARG 260 N 0.76 0.96 -0.13 4.80 3.08 -1.41 -2.42 114.38 120.01 1h24 h ARG 260 Ca 0.31 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 1h24 h ARG 260 Cb 0.15 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1h24 h ARG 260 CO -0.17 0.64 0.04 1.03 -1.07 0.00 0.00 179.97 180.44 1h24 h SER 261 N 0.99 0.20 -0.09 7.04 0.87 -1.36 -2.53 113.55 118.67 1h24 h SER 261 Ca 0.42 -0.22 0.03 0.00 -1.23 0.00 0.00 61.79 60.78 1h24 h SER 261 Cb 0.28 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 1h24 h SER 261 CO -0.21 0.37 -0.07 0.25 -0.53 0.00 0.00 176.83 176.65 1h24 h LEU 262 N 0.02 -0.21 -0.43 2.23 5.85 -1.43 -2.54 115.31 118.80 1h24 h LEU 262 Ca 0.04 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.87 1h24 h LEU 262 Cb 0.25 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 1h24 h LEU 262 CO 0.00 -0.09 0.11 0.25 -0.34 0.00 0.00 178.44 178.37 1h24 h LEU 263 N -0.07 0.06 -2.10 2.25 5.85 -1.37 0.22 115.31 120.14 1h24 h LEU 263 Ca 0.06 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1h24 h LEU 263 Cb 0.16 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 1h24 h LEU 263 CO -0.14 0.07 -0.05 0.77 -0.34 0.00 0.00 178.44 178.75 1h24 h SER 264 N 0.25 0.00 0.08 1.25 4.64 -1.37 0.41 113.55 118.80 1h24 h SER 264 Ca 0.21 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.28 1h24 h SER 264 Cb 0.24 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1h24 h SER 264 CO -0.25 0.05 -0.98 1.56 -0.87 0.00 0.00 176.83 176.34 1h24 h GLN 265 N 0.00 0.63 -0.25 4.77 4.20 -0.25 -2.68 115.11 121.54 1h24 h GLN 265 Ca -0.00 -0.65 -0.14 0.00 0.06 0.00 0.00 58.65 57.92 1h24 h GLN 265 Cb 0.11 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1h24 h GLN 265 CO 0.01 1.25 -0.41 0.52 -0.67 0.00 0.00 178.83 179.53 1h24 h MET 266 N 0.37 0.59 -1.14 1.46 2.86 0.34 -2.89 114.93 116.51 1h24 h MET 266 Ca -0.11 -0.30 -0.55 0.00 -2.06 0.00 0.00 59.70 56.68 1h24 h MET 266 Cb 1.62 0.01 -0.24 0.00 0.06 0.00 0.00 31.60 33.05 1h24 h MET 266 CO 0.19 0.90 0.71 1.28 1.06 0.00 0.00 176.91 181.04 1h24 n LEU 267 N -4.03 7.18 -4.73 1.22 4.77 0.13 -4.15 117.00 117.39 1h24 n LEU 267 Ca -0.02 -3.89 -0.41 0.00 -0.03 0.00 0.00 56.01 51.66 1h24 n LEU 267 Cb 0.52 -0.98 -0.04 0.00 -2.33 0.00 0.00 43.42 40.60 1h24 n LEU 267 CO 0.45 1.34 0.81 -2.28 -1.33 0.00 0.00 177.39 176.38 1h24 s HIS 268 N -3.14 3.55 0.25 -1.77 2.46 -1.02 -4.91 115.29 110.72 1h24 s HIS 268 Ca 0.53 1.52 -0.02 0.00 0.47 0.00 0.00 55.06 57.56 1h24 s HIS 268 Cb 0.42 -3.30 0.49 0.00 -0.13 0.00 0.00 32.58 30.06 1h24 s HIS 268 CO 0.00 -0.75 1.76 1.88 -2.47 0.00 0.00 174.74 175.17 1h24 h TYR 269 N 5.81 0.70 -3.29 3.88 0.05 -1.91 -3.40 116.97 118.81 1h24 h TYR 269 Ca -0.43 0.03 -0.56 0.00 0.05 0.00 0.00 58.73 57.83 1h24 h TYR 269 Cb 1.21 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 38.73 1h24 h TYR 269 CO 0.64 0.16 0.52 0.34 -1.05 0.00 0.00 178.16 178.78 1h24 s ASP 270 N -5.42 7.25 0.21 3.88 -1.08 -1.26 -4.85 116.67 115.41 1h24 s ASP 270 Ca -0.12 1.53 -0.10 0.00 -0.52 0.00 0.00 52.55 53.34 1h24 s ASP 270 Cb 0.21 -2.55 0.18 0.00 -1.46 0.00 0.00 42.92 39.29 1h24 s ASP 270 CO 0.77 -0.41 1.88 -0.65 0.52 0.00 0.00 175.17 177.29 1h24 h PRO 271 N 7.05 1.01 -0.54 4.34 0.11 -1.93 0.11 132.00 142.14 1h24 h PRO 271 Ca -0.33 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.75 1h24 h PRO 271 Cb 1.16 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 32.00 1h24 h PRO 271 CO 0.84 0.67 0.32 -0.91 -0.21 0.00 0.00 178.00 178.70 1h24 h ASN 272 N 1.04 0.51 0.81 -2.05 2.35 -1.95 -1.06 115.58 115.23 1h24 h ASN 272 Ca 0.29 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1h24 h ASN 272 Cb -0.10 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.17 1h24 h ASN 272 CO -0.07 0.35 -0.16 0.29 -1.65 0.00 0.00 177.43 176.19 1h24 n LYS 273 N -4.79 0.03 -2.09 0.81 4.76 -1.09 -4.77 118.16 111.01 1h24 n LYS 273 Ca 0.04 -0.01 -0.42 0.00 -2.87 0.00 0.00 58.31 55.06 1h24 n LYS 273 Cb 0.09 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.75 1h24 n LYS 273 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1h24 s ARG 274 N -2.98 4.30 0.49 1.97 3.52 0.35 -4.92 118.95 121.68 1h24 s ARG 274 Ca 0.14 2.19 -0.22 0.00 -0.13 0.00 0.00 55.73 57.71 1h24 s ARG 274 Cb 0.19 -3.17 -0.07 0.00 -1.56 0.00 0.00 34.95 30.33 1h24 s ARG 274 CO 0.58 -0.41 1.14 -1.50 -0.81 0.00 0.00 175.30 174.30 1h24 s ILE 275 N 0.50 3.20 0.61 4.11 2.07 -1.10 -4.96 121.20 125.62 1h24 s ILE 275 Ca 0.62 0.84 -0.10 0.00 -1.41 0.00 0.00 60.65 60.60 1h24 s ILE 275 Cb -0.39 -3.39 -0.03 0.00 0.13 0.00 0.00 42.46 38.77 1h24 s ILE 275 CO 0.37 -0.07 0.99 -0.94 -1.91 0.00 0.00 174.94 173.37 1h24 s SER 276 N -1.55 6.10 0.42 4.50 1.04 -1.26 -4.87 113.70 118.08 1h24 s SER 276 Ca 0.67 1.26 0.20 0.00 0.48 0.00 0.00 55.95 58.56 1h24 s SER 276 Cb -0.26 -2.32 0.94 0.00 0.10 0.00 0.00 66.02 64.48 1h24 s SER 276 CO 0.31 -0.89 1.87 0.00 0.98 0.00 0.00 173.24 175.50 1h24 h ALA 277 N -0.26 1.19 0.72 5.32 0.00 -1.94 0.29 119.26 124.57 1h24 h ALA 277 Ca -0.45 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.17 1h24 h ALA 277 Cb 1.20 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1h24 h ALA 277 CO 0.62 0.36 -0.35 -0.22 0.00 0.00 0.00 179.25 179.66 1h24 h LYS 278 N 0.00 -0.93 -0.98 0.00 3.64 -1.92 -2.60 116.57 113.77 1h24 h LYS 278 Ca -0.00 0.06 0.16 0.00 -1.27 0.00 0.00 60.65 59.60 1h24 h LYS 278 Cb 0.65 0.21 -0.10 0.00 -0.41 0.00 0.00 32.23 32.59 1h24 h LYS 278 CO 0.04 -0.62 0.59 0.00 -2.27 0.00 0.00 179.45 177.19 1h24 h ALA 279 N -1.32 1.56 -0.40 5.00 0.00 -1.92 -0.49 119.26 121.69 1h24 h ALA 279 Ca -0.10 0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1h24 h ALA 279 Cb 0.74 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 1h24 h ALA 279 CO 0.16 0.04 -0.34 0.00 0.00 0.00 0.00 179.25 179.11 1h24 h ALA 280 N 1.60 -0.22 -1.27 0.00 0.00 -0.81 0.12 119.26 118.68 1h24 h ALA 280 Ca 0.54 0.10 0.37 0.00 0.00 0.00 0.00 54.91 55.91 1h24 h ALA 280 Cb 0.73 0.74 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 1h24 h ALA 280 CO -0.34 -0.75 0.94 -0.07 0.00 0.00 0.00 179.25 179.04 1h24 h LEU 281 N -0.26 0.00 -0.01 0.00 3.38 -0.68 1.62 115.31 119.36 1h24 h LEU 281 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1h24 h LEU 281 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1h24 h LEU 281 CO -0.55 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 177.96 1h24 n ALA 282 N -2.75 2.44 -1.71 1.53 0.00 0.40 -4.84 120.51 115.58 1h24 n ALA 282 Ca 0.28 -0.13 -0.43 0.00 0.00 0.00 0.00 53.44 53.16 1h24 n ALA 282 Cb 1.35 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 19.33 1h24 n ALA 282 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1h24 n HIS 283 N -1.42 2.54 0.11 0.00 -0.00 0.55 -4.83 115.22 112.17 1h24 n HIS 283 Ca 0.09 0.34 0.07 0.00 -0.00 0.00 0.00 57.72 58.23 1h24 n HIS 283 Cb 0.31 -2.53 0.39 0.00 -0.00 0.00 0.00 29.99 28.16 1h24 n HIS 283 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1h24 n PRO 284 N 2.06 0.09 0.31 1.57 -0.02 -1.26 0.15 135.00 137.89 1h24 n PRO 284 Ca 0.10 0.59 0.18 0.00 -2.02 0.00 0.00 63.50 62.34 1h24 n PRO 284 Cb 0.34 -1.83 1.00 0.00 -0.02 0.00 0.00 33.50 32.99 1h24 n PRO 284 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1h24 h PHE 285 N 0.00 0.00 -0.10 6.00 3.57 -1.88 -2.90 116.94 121.63 1h24 h PHE 285 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1h24 h PHE 285 Cb 0.04 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1h24 h PHE 285 CO 0.00 0.02 0.00 1.19 -2.23 0.00 0.00 178.31 177.29 1h24 n PHE 286 N -3.49 0.10 -0.14 0.41 3.72 0.39 -4.43 117.46 114.02 1h24 n PHE 286 Ca -0.03 -0.05 -0.07 0.00 -0.05 0.00 0.00 57.45 57.26 1h24 n PHE 286 Cb 0.11 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.65 1h24 n PHE 286 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1h24 h GLN 287 N 3.84 -0.21 -0.77 -1.08 3.07 -1.64 -2.41 115.11 115.91 1h24 h GLN 287 Ca 0.00 0.01 -0.06 0.00 0.09 0.00 0.00 58.65 58.69 1h24 h GLN 287 Cb 0.82 0.05 -0.04 0.00 0.08 0.00 0.00 27.48 28.39 1h24 h GLN 287 CO 0.00 -0.14 0.08 -0.40 0.09 0.00 0.00 178.83 178.46 1h24 n ASP 288 N -5.42 4.07 -4.75 0.06 5.68 -1.26 -4.99 116.55 109.94 1h24 n ASP 288 Ca 0.02 -2.71 -0.41 0.00 -0.50 0.00 0.00 54.79 51.19 1h24 n ASP 288 Cb 0.34 -0.65 -0.02 0.00 -1.14 0.00 0.00 41.12 39.65 1h24 n ASP 288 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1h24 s VAL 289 N -2.19 2.42 0.00 2.12 0.11 -0.91 -4.99 120.40 116.95 1h24 s VAL 289 Ca 0.37 0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.78 1h24 s VAL 289 Cb 0.29 -3.23 0.00 0.00 -1.53 0.00 0.00 36.38 31.91 1h24 s VAL 289 CO 0.10 0.06 0.00 0.35 -3.33 0.00 0.00 175.10 172.28 1h24 n THR 290 N 2.08 0.00 -2.88 5.04 -2.24 -1.26 -5.09 114.28 109.92 1h24 n THR 290 Ca 0.06 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.72 1h24 n THR 290 Cb 0.39 -0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.63 1h24 n THR 290 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1h24 n LYS 291 N 0.00 0.78 -0.84 -0.78 4.81 -1.26 -4.66 118.16 116.21 1h24 n LYS 291 Ca 0.00 -2.21 -0.30 0.00 -0.87 0.00 0.00 58.31 54.93 1h24 n LYS 291 Cb 0.00 -1.38 0.26 0.00 0.02 0.00 0.00 35.03 33.93 1h24 n LYS 291 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1h24 s PRO 292 N 0.06 -1.95 0.00 1.64 0.04 -1.26 -4.88 135.00 128.64 1h24 s PRO 292 Ca 0.32 -0.05 0.24 0.00 0.04 0.00 0.00 61.00 61.55 1h24 s PRO 292 Cb 0.22 -1.51 0.26 0.00 0.04 0.00 0.00 34.50 33.51 1h24 s PRO 292 CO -0.19 -4.20 1.30 0.28 0.04 0.00 0.00 177.00 174.23