#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h1s n MET 1 N 0.00 2.96 -0.27 1.43 2.81 -1.26 -4.68 117.12 118.11 1h1s n MET 1 Ca 0.00 -1.85 0.06 0.00 -1.81 0.00 0.00 57.70 54.09 1h1s n MET 1 Cb 0.00 -1.76 0.20 0.00 -0.71 0.00 0.00 33.22 30.95 1h1s n MET 1 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1h1s h GLU 2 N 2.56 0.53 0.00 0.03 4.81 -2.07 -2.47 114.58 117.96 1h1s h GLU 2 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1h1s h GLU 2 Cb 1.14 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1h1s h GLU 2 CO 0.20 0.35 0.00 0.09 -0.73 0.00 0.00 179.01 178.92 1h1s n ASN 3 N -4.93 0.00 -4.52 1.04 3.02 -1.26 -4.77 115.26 103.85 1h1s n ASN 3 Ca 0.15 -1.40 -0.34 0.00 -0.03 0.00 0.00 54.58 52.97 1h1s n ASN 3 Cb 0.41 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.46 1h1s n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1h1s s PHE 4 N -2.00 2.93 -0.25 3.10 0.08 -0.93 -0.21 117.98 120.70 1h1s s PHE 4 Ca 0.22 -0.18 -0.04 0.00 0.12 0.00 0.00 56.93 57.05 1h1s s PHE 4 Cb 0.10 -1.80 0.01 0.00 -0.57 0.00 0.00 43.02 40.76 1h1s s PHE 4 CO 0.17 0.14 -0.02 -1.14 -0.10 0.00 0.00 175.22 174.27 1h1s s GLN 5 N -0.30 3.16 0.31 0.44 2.00 -0.05 -4.92 119.66 120.31 1h1s s GLN 5 Ca 0.04 -0.78 -0.29 0.00 -2.00 0.00 0.00 55.36 52.33 1h1s s GLN 5 Cb -0.13 -3.10 -0.10 0.00 0.80 0.00 0.00 33.01 30.48 1h1s s GLN 5 CO 0.02 -0.32 1.30 0.15 -0.50 0.00 0.00 175.29 175.95 1h1s s LYS 6 N 1.44 4.38 -0.10 1.67 1.02 -1.26 -1.24 119.74 125.65 1h1s s LYS 6 Ca 0.03 2.17 -0.10 0.00 0.02 0.00 0.00 55.97 58.10 1h1s s LYS 6 Cb -0.16 -3.10 -0.05 0.00 -0.52 0.00 0.00 37.83 34.01 1h1s s LYS 6 CO -0.02 -0.18 -0.21 0.28 -0.92 0.00 0.00 175.35 174.30 1h1s n VAL 7 N 1.12 1.24 -3.64 3.17 0.31 0.33 -4.91 118.33 115.94 1h1s n VAL 7 Ca 0.01 0.09 -0.15 0.00 -0.01 0.00 0.00 64.34 64.28 1h1s n VAL 7 Cb 0.42 -1.94 -0.08 0.00 -0.91 0.00 0.00 33.84 31.33 1h1s n VAL 7 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1h1s s GLU 8 N -2.47 0.83 0.24 5.55 -1.05 -1.16 -4.98 118.70 115.65 1h1s s GLU 8 Ca -0.19 0.22 -0.30 0.00 -0.15 0.00 0.00 54.97 54.54 1h1s s GLU 8 Cb 0.05 0.39 -0.10 0.00 -0.44 0.00 0.00 34.13 34.02 1h1s s GLU 8 CO 0.27 -0.22 1.45 0.21 0.95 0.00 0.00 175.26 177.92 1h1s s LYS 9 N -0.90 4.27 0.00 -4.83 2.20 -1.26 -0.45 119.74 118.76 1h1s s LYS 9 Ca -0.09 2.30 0.07 0.00 -0.36 0.00 0.00 55.97 57.88 1h1s s LYS 9 Cb -0.03 -3.12 0.08 0.00 -1.51 0.00 0.00 37.83 33.26 1h1s s LYS 9 CO 0.06 -0.43 0.80 1.51 -0.36 0.00 0.00 175.35 176.93 1h1s n ILE 10 N 2.48 0.19 0.00 5.43 3.06 -0.09 -4.82 119.36 125.61 1h1s n ILE 10 Ca 0.07 -0.60 0.00 0.00 -2.50 0.00 0.00 62.75 59.73 1h1s n ILE 10 Cb 0.40 1.02 0.00 0.00 0.54 0.00 0.00 39.64 41.60 1h1s n ILE 10 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1h1s n GLY 11 N 0.33 2.54 2.88 4.50 0.00 -1.12 -4.92 105.19 109.39 1h1s n GLY 11 Ca 0.05 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 1h1s n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h1s s GLU 12 N -1.79 1.35 0.00 1.61 2.02 -1.26 -1.58 118.70 119.04 1h1s s GLU 12 Ca 0.00 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.28 1h1s s GLU 12 Cb 0.00 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.93 1h1s s GLU 12 CO 0.00 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.14 1h1s n GLY 13 N 4.82 1.24 0.32 -1.39 0.00 -1.26 -4.94 105.19 103.98 1h1s n GLY 13 Ca -0.11 -1.63 0.01 0.00 0.00 0.00 0.00 46.02 44.28 1h1s n GLY 13 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1h1s h THR 14 N 0.00 1.18 -4.36 2.61 1.35 -1.95 -3.44 112.91 108.29 1h1s h THR 14 Ca 0.00 -0.45 -0.19 0.00 -0.55 0.00 0.00 66.41 65.23 1h1s h THR 14 Cb 0.00 0.37 -0.14 0.00 -1.73 0.00 0.00 68.15 66.65 1h1s h THR 14 CO 0.00 0.20 -0.55 -0.72 -0.25 0.00 0.00 175.52 174.20 1h1s s TYR 15 N -5.56 0.89 0.00 4.73 1.13 -1.26 -5.11 117.35 112.18 1h1s s TYR 15 Ca -0.10 -1.20 0.00 0.00 -1.41 0.00 0.00 57.07 54.36 1h1s s TYR 15 Cb 0.17 -0.40 0.00 0.00 -1.10 0.00 0.00 41.96 40.63 1h1s s TYR 15 CO 0.77 -0.64 0.00 0.41 -2.51 0.00 0.00 175.55 173.58 1h1s n GLY 16 N -0.21 0.59 2.95 5.49 0.00 -1.26 -4.88 105.19 107.87 1h1s n GLY 16 Ca -0.02 -0.86 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 1h1s n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h1s s VAL 17 N 0.00 0.43 -0.17 1.61 1.01 -0.76 -4.22 120.40 118.30 1h1s s VAL 17 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 1h1s s VAL 17 Cb 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1h1s s VAL 17 CO 0.00 0.13 0.02 -0.69 0.00 0.00 0.00 175.10 174.57 1h1s s VAL 18 N 0.03 4.46 0.27 2.92 1.01 -0.62 -0.41 120.40 128.06 1h1s s VAL 18 Ca 0.00 -0.16 0.11 0.00 0.00 0.00 0.00 61.98 61.93 1h1s s VAL 18 Cb -0.04 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 1h1s s VAL 18 CO -0.00 0.48 -0.17 -0.31 0.00 0.00 0.00 175.10 175.10 1h1s s TYR 19 N 0.26 2.15 -0.02 5.22 1.51 0.85 -0.92 117.35 126.41 1h1s s TYR 19 Ca 0.01 -0.42 -0.18 0.00 -1.01 0.00 0.00 57.07 55.48 1h1s s TYR 19 Cb -0.13 -0.98 -0.05 0.00 -0.11 0.00 0.00 41.96 40.69 1h1s s TYR 19 CO 0.01 0.61 0.49 0.21 -1.11 0.00 0.00 175.55 175.76 1h1s s LYS 20 N -3.56 4.16 0.23 -0.62 2.20 0.40 -0.67 119.74 121.89 1h1s s LYS 20 Ca 0.28 0.54 -0.09 0.00 -0.36 0.00 0.00 55.97 56.34 1h1s s LYS 20 Cb -0.03 -3.31 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 1h1s s LYS 20 CO 0.13 0.47 0.36 0.00 -0.36 0.00 0.00 175.35 175.95 1h1s s ALA 21 N -0.44 0.24 0.05 3.13 0.00 -0.61 -0.52 121.76 123.61 1h1s s ALA 21 Ca 0.26 -1.16 0.05 0.00 0.00 0.00 0.00 51.96 51.11 1h1s s ALA 21 Cb -0.17 1.18 -0.02 0.00 0.00 0.00 0.00 23.12 24.10 1h1s s ALA 21 CO 0.14 -0.77 -0.14 -0.98 0.00 0.00 0.00 175.76 174.02 1h1s s ARG 22 N -4.06 0.86 -0.28 0.00 1.70 -0.37 -1.30 118.95 115.50 1h1s s ARG 22 Ca 0.28 -0.81 -0.29 0.00 -0.47 0.00 0.00 55.73 54.44 1h1s s ARG 22 Cb 0.02 -0.85 -0.00 0.00 -0.57 0.00 0.00 34.95 33.54 1h1s s ARG 22 CO 0.10 0.20 1.30 1.21 -1.08 0.00 0.00 175.30 177.03 1h1s s ASN 23 N -1.35 6.70 0.35 -2.89 3.84 0.13 -0.87 114.94 120.85 1h1s s ASN 23 Ca -0.00 1.27 0.27 0.00 0.21 0.00 0.00 52.86 54.60 1h1s s ASN 23 Cb -0.09 -2.54 0.91 0.00 -0.55 0.00 0.00 41.25 38.99 1h1s s ASN 23 CO 0.02 -1.05 1.77 0.11 -2.79 0.00 0.00 177.10 175.16 1h1s h LYS 24 N 9.19 0.00 0.10 0.43 1.57 -0.91 0.61 116.57 127.56 1h1s h LYS 24 Ca -0.26 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.17 1h1s h LYS 24 Cb 1.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 1h1s h LYS 24 CO 1.03 0.00 -1.96 1.28 -0.57 0.00 0.00 179.45 179.22 1h1s n LEU 25 N -2.60 2.31 -0.00 2.94 4.77 -1.26 -4.52 117.00 118.64 1h1s n LEU 25 Ca 0.03 0.24 0.11 0.00 -0.03 0.00 0.00 56.01 56.35 1h1s n LEU 25 Cb 0.36 -0.87 -0.16 0.00 -2.33 0.00 0.00 43.42 40.42 1h1s n LEU 25 CO 0.27 0.77 -0.71 0.35 -1.33 0.00 0.00 177.39 176.74 1h1s n THR 26 N -3.39 0.07 -0.98 -5.08 -2.24 -1.20 -4.98 114.28 96.48 1h1s n THR 26 Ca -0.30 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 1h1s n THR 26 Cb 1.05 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1h1s n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h1s n GLY 27 N 1.26 0.86 3.75 3.38 0.00 0.21 -5.01 105.19 109.65 1h1s n GLY 27 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1h1s n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h1s s GLU 28 N -0.06 3.26 -0.14 1.61 2.12 -1.25 -4.66 118.70 119.59 1h1s s GLU 28 Ca 0.00 2.29 -0.06 0.00 0.36 0.00 0.00 54.97 57.56 1h1s s GLU 28 Cb 0.00 -2.35 -0.04 0.00 0.26 0.00 0.00 34.13 32.00 1h1s s GLU 28 CO 0.00 -1.11 0.08 0.08 -0.54 0.00 0.00 175.26 173.77 1h1s s VAL 29 N -1.28 4.96 0.33 3.70 1.01 -1.26 0.20 120.40 128.05 1h1s s VAL 29 Ca 0.69 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.72 1h1s s VAL 29 Cb -0.41 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1h1s s VAL 29 CO 0.50 0.55 0.15 0.68 0.00 0.00 0.00 175.10 176.99 1h1s s VAL 30 N -0.47 0.42 -0.15 2.92 -7.23 -0.42 -3.78 120.40 111.70 1h1s s VAL 30 Ca 0.10 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.27 1h1s s VAL 30 Cb -0.12 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.31 1h1s s VAL 30 CO 0.02 0.00 -0.13 0.00 -0.31 0.00 0.00 175.10 174.68 1h1s s ALA 31 N -3.50 2.60 -0.19 1.32 0.00 0.42 -1.58 121.76 120.83 1h1s s ALA 31 Ca 0.34 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 51.26 1h1s s ALA 31 Cb 0.05 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 1h1s s ALA 31 CO 0.17 0.05 0.02 -0.51 0.00 0.00 0.00 175.76 175.49 1h1s s LEU 32 N 0.67 3.43 -0.27 0.00 1.43 0.15 0.11 118.68 124.21 1h1s s LEU 32 Ca -0.06 -0.10 -0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1h1s s LEU 32 Cb -0.15 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1h1s s LEU 32 CO 0.02 0.11 0.05 -0.75 0.23 0.00 0.00 176.35 176.01 1h1s s LYS 33 N 0.73 3.23 -0.23 1.70 2.20 -0.00 -0.10 119.74 127.26 1h1s s LYS 33 Ca 0.01 -0.76 -0.11 0.00 -0.36 0.00 0.00 55.97 54.75 1h1s s LYS 33 Cb -0.14 -3.28 -0.05 0.00 -1.51 0.00 0.00 37.83 32.86 1h1s s LYS 33 CO 0.02 -0.35 0.18 0.21 -0.36 0.00 0.00 175.35 175.05 1h1s s LYS 34 N 1.51 4.10 -0.17 4.03 2.36 0.46 -0.39 119.74 131.63 1h1s s LYS 34 Ca 0.04 -0.21 0.01 0.00 -2.55 0.00 0.00 55.97 53.26 1h1s s LYS 34 Cb -0.16 -3.52 0.02 0.00 -1.05 0.00 0.00 37.83 33.12 1h1s s LYS 34 CO 0.01 0.10 -0.20 0.42 1.55 0.00 0.00 175.35 177.23 1h1s s ILE 35 N 0.95 2.08 0.01 5.43 1.01 -0.01 -1.83 121.20 128.84 1h1s s ILE 35 Ca 0.09 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 59.50 1h1s s ILE 35 Cb -0.13 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 1h1s s ILE 35 CO 0.04 0.54 1.07 -0.13 0.00 0.00 0.00 174.94 176.46 1h1s s ARG 36 N 1.20 4.49 -0.17 2.79 0.52 -1.26 -1.36 118.95 125.15 1h1s s ARG 36 Ca 0.03 1.55 -0.12 0.00 -0.52 0.00 0.00 55.73 56.67 1h1s s ARG 36 Cb -0.14 -3.44 -0.05 0.00 0.52 0.00 0.00 34.95 31.85 1h1s s ARG 36 CO -0.11 -0.17 0.21 -0.51 0.02 0.00 0.00 175.30 174.75 1h1s s LEU 37 N 1.20 4.24 -1.21 2.53 1.43 -1.19 -4.84 118.68 120.84 1h1s s LEU 37 Ca 0.54 0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 53.96 1h1s s LEU 37 Cb -0.24 -2.23 0.21 0.00 0.03 0.00 0.00 46.19 43.96 1h1s s LEU 37 CO 0.27 0.16 1.78 0.47 0.23 0.00 0.00 176.35 179.26 1h1s n ASP 38 N 3.41 5.71 -4.74 2.29 8.00 -1.19 -4.93 116.55 125.09 1h1s n ASP 38 Ca -0.14 -3.22 -0.36 0.00 0.71 0.00 0.00 54.79 51.77 1h1s n ASP 38 Cb 0.52 -1.40 0.05 0.00 -0.02 0.00 0.00 41.12 40.27 1h1s n ASP 38 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1h1s s THR 39 N -0.83 2.42 0.00 -3.53 2.01 -1.26 -0.43 115.64 114.02 1h1s s THR 39 Ca 0.37 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.63 1h1s s THR 39 Cb 0.09 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.51 1h1s s THR 39 CO 0.03 -0.06 0.00 -0.62 -0.69 0.00 0.00 174.62 173.28 1h1s n GLU 40 N -1.76 0.00 0.00 4.92 4.71 -1.26 -4.81 120.64 122.44 1h1s n GLU 40 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.29 1h1s n GLU 40 Cb 0.49 -3.34 0.00 0.00 -1.01 0.00 0.00 31.44 27.58 1h1s n GLU 40 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1h1s n THR 41 N -1.14 0.00 -0.09 2.62 -1.04 0.43 -4.99 114.28 110.07 1h1s n THR 41 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.11 1h1s n THR 41 Cb 0.00 0.00 0.24 0.00 -1.82 0.00 0.00 70.33 68.75 1h1s n THR 41 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1h1s n GLU 42 N 0.00 2.58 0.00 -2.82 -0.58 -1.14 -5.07 120.64 113.61 1h1s n GLU 42 Ca 0.00 -2.34 0.00 0.00 -0.42 0.00 0.00 57.16 54.40 1h1s n GLU 42 Cb 0.00 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 1h1s n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1h1s n GLY 43 N 1.30 0.30 3.73 0.62 0.00 -0.77 -4.74 105.19 105.63 1h1s n GLY 43 Ca 0.19 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 1h1s n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h1s s VAL 44 N 0.00 4.79 0.35 1.61 1.01 -1.26 -3.20 120.40 123.70 1h1s s VAL 44 Ca 0.00 1.76 -0.27 0.00 0.00 0.00 0.00 61.98 63.47 1h1s s VAL 44 Cb 0.00 -4.18 -0.09 0.00 0.00 0.00 0.00 36.38 32.11 1h1s s VAL 44 CO 0.00 0.29 1.13 -2.16 0.00 0.00 0.00 175.10 174.36 1h1s s PRO 45 N 0.37 4.33 0.36 2.72 0.04 -1.26 -4.89 135.00 136.66 1h1s s PRO 45 Ca 0.43 1.80 0.18 0.00 0.04 0.00 0.00 61.00 63.44 1h1s s PRO 45 Cb -0.20 -2.88 1.22 0.00 0.04 0.00 0.00 34.50 32.67 1h1s s PRO 45 CO 0.24 -0.07 1.61 0.66 0.04 0.00 0.00 177.00 179.48 1h1s h SER 46 N 3.13 0.36 0.40 6.66 4.64 -1.94 0.11 113.55 126.91 1h1s h SER 46 Ca -0.48 0.23 -0.13 0.00 -0.47 0.00 0.00 61.79 60.94 1h1s h SER 46 Cb 1.22 0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.53 1h1s h SER 46 CO 0.64 -0.32 -0.56 0.71 -0.87 0.00 0.00 176.83 176.44 1h1s h THR 47 N 0.13 1.38 -0.03 2.95 1.35 -1.90 -0.03 112.91 116.74 1h1s h THR 47 Ca 0.79 -1.89 -0.02 0.00 -0.55 0.00 0.00 66.41 64.74 1h1s h THR 47 Cb 1.98 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 70.36 1h1s h THR 47 CO -0.71 0.55 -0.07 0.00 -0.25 0.00 0.00 175.52 175.04 1h1s h ALA 48 N 1.30 0.05 -0.37 6.62 0.00 -1.14 -1.32 119.26 124.40 1h1s h ALA 48 Ca -0.00 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.68 1h1s h ALA 48 Cb 1.02 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 1h1s h ALA 48 CO 0.08 -0.11 -0.22 0.82 0.00 0.00 0.00 179.25 179.83 1h1s h ILE 49 N -0.42 0.39 0.09 0.00 2.04 -1.13 -0.77 117.51 117.72 1h1s h ILE 49 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1h1s h ILE 49 Cb 0.64 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1h1s h ILE 49 CO 0.02 0.00 -0.04 0.03 0.00 0.00 0.00 178.15 178.15 1h1s h ARG 50 N -0.16 -0.12 0.17 2.37 3.08 -1.06 -2.30 114.38 116.35 1h1s h ARG 50 Ca 0.18 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1h1s h ARG 50 Cb 0.44 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1h1s h ARG 50 CO -0.47 0.08 -0.17 1.49 -1.07 0.00 0.00 179.97 179.83 1h1s h GLU 51 N -0.30 -0.35 -0.03 0.04 4.81 -0.96 -1.03 114.58 116.77 1h1s h GLU 51 Ca -0.01 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1h1s h GLU 51 Cb 0.25 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 1h1s h GLU 51 CO 0.02 -0.23 0.02 0.82 -0.73 0.00 0.00 179.01 178.90 1h1s h ILE 52 N -0.36 1.07 -0.73 2.32 2.04 -1.15 0.13 117.51 120.83 1h1s h ILE 52 Ca 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1h1s h ILE 52 Cb 0.35 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 1h1s h ILE 52 CO -0.04 0.06 0.45 0.77 0.00 0.00 0.00 178.15 179.39 1h1s h SER 53 N -0.04 0.85 0.45 1.72 4.64 -1.33 -2.11 113.55 117.74 1h1s h SER 53 Ca 0.01 -0.04 -0.31 0.00 -0.47 0.00 0.00 61.79 60.99 1h1s h SER 53 Cb 0.08 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1h1s h SER 53 CO -0.00 0.64 -1.43 -0.07 -0.87 0.00 0.00 176.83 175.10 1h1s h LEU 54 N 0.99 0.55 -0.59 5.97 3.38 -1.01 -3.26 115.31 121.35 1h1s h LEU 54 Ca 0.26 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1h1s h LEU 54 Cb -0.07 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1h1s h LEU 54 CO -0.05 1.51 0.00 0.25 0.09 0.00 0.00 178.44 180.24 1h1s h LEU 55 N 0.10 0.00 0.01 1.67 5.85 -0.65 -1.57 115.31 120.73 1h1s h LEU 55 Ca -0.21 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.28 1h1s h LEU 55 Cb 2.05 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 43.06 1h1s h LEU 55 CO 0.21 0.00 -1.06 0.11 -0.34 0.00 0.00 178.44 177.36 1h1s h LYS 56 N 0.00 0.09 0.00 1.25 1.57 -1.48 -3.18 116.57 114.82 1h1s h LYS 56 Ca 0.00 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.53 1h1s h LYS 56 Cb 0.59 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1h1s h LYS 56 CO 0.00 1.06 -0.48 0.93 -0.57 0.00 0.00 179.45 180.38 1h1s h GLU 57 N 0.03 0.00 -4.93 3.15 5.08 -1.52 -3.42 114.58 112.97 1h1s h GLU 57 Ca -0.05 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.62 1h1s h GLU 57 Cb 1.81 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.87 1h1s h GLU 57 CO 0.15 0.48 0.72 -0.51 -1.00 0.00 0.00 179.01 178.86 1h1s s LEU 58 N -6.63 5.19 -0.24 1.33 1.43 -0.62 -4.96 118.68 114.17 1h1s s LEU 58 Ca 0.03 -2.02 -0.00 0.00 -1.03 0.00 0.00 54.13 51.10 1h1s s LEU 58 Cb 0.09 -2.38 0.03 0.00 0.03 0.00 0.00 46.19 43.96 1h1s s LEU 58 CO 0.73 -1.04 -0.09 0.21 0.23 0.00 0.00 176.35 176.39 1h1s s ASN 59 N 3.50 4.18 -0.22 2.29 3.04 -1.26 -4.91 114.94 121.56 1h1s s ASN 59 Ca 0.30 -0.94 -0.27 0.00 0.04 0.00 0.00 52.86 51.99 1h1s s ASN 59 Cb -0.07 -1.62 0.10 0.00 -1.54 0.00 0.00 41.25 38.12 1h1s s ASN 59 CO -0.08 -0.12 0.87 -2.28 -3.04 0.00 0.00 177.10 172.45 1h1s s HIS 60 N 1.28 -0.58 -0.54 0.43 2.46 -1.26 -5.07 115.29 112.01 1h1s s HIS 60 Ca -0.01 1.29 0.21 0.00 0.47 0.00 0.00 55.06 57.02 1h1s s HIS 60 Cb -0.17 0.36 0.91 0.00 -0.13 0.00 0.00 32.58 33.55 1h1s s HIS 60 CO -0.06 -0.36 1.63 -0.35 -2.47 0.00 0.00 174.74 173.14 1h1s n PRO 61 N 1.86 0.15 -0.78 2.88 -0.04 -1.26 -2.82 135.00 134.99 1h1s n PRO 61 Ca -0.14 0.44 -0.03 0.00 -0.04 0.00 0.00 63.50 63.72 1h1s n PRO 61 Cb 0.56 -1.81 0.20 0.00 -0.04 0.00 0.00 33.50 32.41 1h1s n PRO 61 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1h1s n ASN 62 N -2.10 2.61 -3.89 3.54 4.13 -1.26 -4.83 115.26 113.46 1h1s n ASN 62 Ca 0.02 -3.70 -0.23 0.00 1.68 0.00 0.00 54.58 52.34 1h1s n ASN 62 Cb 0.18 -0.63 -0.17 0.00 -1.54 0.00 0.00 39.78 37.62 1h1s n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1h1s s ILE 63 N -3.21 0.72 0.20 2.41 1.01 -1.13 -1.66 121.20 119.53 1h1s s ILE 63 Ca 0.45 -0.17 -0.33 0.00 0.00 0.00 0.00 60.65 60.60 1h1s s ILE 63 Cb 0.40 -0.75 -0.14 0.00 0.01 0.00 0.00 42.46 41.98 1h1s s ILE 63 CO 0.01 0.29 1.47 0.55 0.00 0.00 0.00 174.94 177.25 1h1s n VAL 64 N 4.46 0.50 -2.91 2.92 3.14 -0.05 -4.64 118.33 121.74 1h1s n VAL 64 Ca -0.18 -0.12 -0.42 0.00 -2.96 0.00 0.00 64.34 60.66 1h1s n VAL 64 Cb 0.51 -1.44 -0.05 0.00 -1.06 0.00 0.00 33.84 31.80 1h1s n VAL 64 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1h1s s LYS 65 N 0.19 4.04 -0.11 1.45 2.20 -1.26 -5.02 119.74 121.24 1h1s s LYS 65 Ca 0.74 0.73 -0.27 0.00 -0.36 0.00 0.00 55.97 56.81 1h1s s LYS 65 Cb -0.69 -3.70 -0.02 0.00 -1.51 0.00 0.00 37.83 31.91 1h1s s LYS 65 CO 0.45 -0.64 0.87 -1.17 -0.36 0.00 0.00 175.35 174.51 1h1s s LEU 66 N 2.96 4.25 -0.20 5.43 2.96 -1.26 -2.44 118.68 130.37 1h1s s LEU 66 Ca 0.34 1.34 0.03 0.00 -0.22 0.00 0.00 54.13 55.62 1h1s s LEU 66 Cb -0.14 -3.34 -0.21 0.00 0.50 0.00 0.00 46.19 43.00 1h1s s LEU 66 CO 0.11 -0.34 0.04 0.18 -1.32 0.00 0.00 176.35 175.02 1h1s n LEU 67 N 4.71 2.24 -3.46 -0.68 4.77 0.26 -4.96 117.00 119.87 1h1s n LEU 67 Ca 0.05 0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 1h1s n LEU 67 Cb 0.50 -0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 1h1s n LEU 67 CO 0.50 0.80 0.41 -0.62 -1.33 0.00 0.00 177.39 177.15 1h1s s ASP 68 N -6.45 -0.54 -0.12 -1.43 -1.08 -1.07 -5.00 116.67 100.98 1h1s s ASP 68 Ca -0.25 -0.06 -0.01 0.00 -0.52 0.00 0.00 52.55 51.71 1h1s s ASP 68 Cb 0.08 0.61 0.03 0.00 -1.46 0.00 0.00 42.92 42.18 1h1s s ASP 68 CO 0.70 -1.00 -0.05 -0.69 0.52 0.00 0.00 175.17 174.64 1h1s s VAL 69 N -3.76 0.89 -0.39 1.11 1.01 -1.26 -1.12 120.40 116.88 1h1s s VAL 69 Ca 0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 1h1s s VAL 69 Cb -0.01 -1.00 0.09 0.00 0.00 0.00 0.00 36.38 35.46 1h1s s VAL 69 CO -0.11 0.26 0.17 -0.63 0.00 0.00 0.00 175.10 174.79 1h1s s ILE 70 N 1.75 3.39 -0.54 2.22 1.01 -0.51 -4.98 121.20 123.54 1h1s s ILE 70 Ca 0.04 -1.79 -0.19 0.00 0.00 0.00 0.00 60.65 58.71 1h1s s ILE 70 Cb -0.13 -3.20 0.08 0.00 0.01 0.00 0.00 42.46 39.22 1h1s s ILE 70 CO -0.08 -0.53 0.64 -2.28 0.00 0.00 0.00 174.94 172.69 1h1s s HIS 71 N 1.21 3.05 0.54 3.97 2.46 -1.26 -0.72 115.29 124.55 1h1s s HIS 71 Ca 0.04 -0.80 0.05 0.00 0.47 0.00 0.00 55.06 54.82 1h1s s HIS 71 Cb -0.22 -3.74 0.05 0.00 -0.13 0.00 0.00 32.58 28.54 1h1s s HIS 71 CO -0.02 -1.14 0.75 0.99 -2.47 0.00 0.00 174.74 172.85 1h1s s THR 72 N 2.52 2.58 0.12 0.89 2.01 0.28 -4.98 115.64 119.06 1h1s s THR 72 Ca 0.12 -0.82 -0.15 0.00 0.31 0.00 0.00 61.69 61.16 1h1s s THR 72 Cb -0.22 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 1h1s s THR 72 CO 0.08 0.00 1.52 -0.08 -0.69 0.00 0.00 174.62 175.45 1h1s h GLU 73 N 0.16 0.70 0.00 4.92 4.81 -2.03 -3.36 114.58 119.78 1h1s h GLU 73 Ca -0.38 -0.27 -0.11 0.00 -0.13 0.00 0.00 59.36 58.47 1h1s h GLU 73 Cb 1.29 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 1h1s h GLU 73 CO 0.46 0.86 -0.62 -0.91 -0.73 0.00 0.00 179.01 178.07 1h1s h ASN 74 N 0.50 0.00 -4.16 1.04 4.21 -1.94 -3.48 115.58 111.75 1h1s h ASN 74 Ca 0.09 -0.67 -0.30 0.00 1.21 0.00 0.00 56.30 56.64 1h1s h ASN 74 Cb 0.60 0.00 -0.15 0.00 -1.12 0.00 0.00 38.32 37.66 1h1s h ASN 74 CO 0.04 1.19 -0.71 -0.54 -1.29 0.00 0.00 177.43 176.12 1h1s s LYS 75 N -2.25 0.99 -0.10 0.81 3.01 -1.26 -3.14 119.74 117.79 1h1s s LYS 75 Ca -0.22 -1.41 0.03 0.00 -1.01 0.00 0.00 55.97 53.36 1h1s s LYS 75 Cb 0.02 -0.50 0.00 0.00 -1.01 0.00 0.00 37.83 36.34 1h1s s LYS 75 CO 0.59 0.05 -0.22 -1.17 0.51 0.00 0.00 175.35 175.11 1h1s s LEU 76 N -3.11 2.01 -0.17 3.17 2.96 -0.47 -0.55 118.68 122.51 1h1s s LEU 76 Ca 0.15 -0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1h1s s LEU 76 Cb 0.03 -1.32 -0.01 0.00 0.50 0.00 0.00 46.19 45.39 1h1s s LEU 76 CO -0.01 0.12 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.75 1h1s s TYR 77 N 0.49 2.91 -0.25 5.38 2.02 0.10 -0.83 117.35 127.18 1h1s s TYR 77 Ca -0.16 -0.71 -0.18 0.00 -0.37 0.00 0.00 57.07 55.65 1h1s s TYR 77 Cb -0.17 -1.97 -0.03 0.00 -0.40 0.00 0.00 41.96 39.39 1h1s s TYR 77 CO 0.06 -0.32 0.52 -0.51 -1.57 0.00 0.00 175.55 173.73 1h1s s LEU 78 N 0.83 4.07 -0.28 -1.29 1.43 0.48 -1.42 118.68 122.50 1h1s s LEU 78 Ca -0.02 0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 53.52 1h1s s LEU 78 Cb -0.15 -2.68 -0.05 0.00 0.03 0.00 0.00 46.19 43.34 1h1s s LEU 78 CO 0.01 -0.27 0.24 -0.69 0.23 0.00 0.00 176.35 175.87 1h1s s VAL 79 N 2.19 5.27 0.14 -1.59 1.01 -0.27 -0.82 120.40 126.33 1h1s s VAL 79 Ca 0.22 0.28 0.10 0.00 0.00 0.00 0.00 61.98 62.58 1h1s s VAL 79 Cb -0.16 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1h1s s VAL 79 CO 0.09 0.23 -0.23 -0.36 0.00 0.00 0.00 175.10 174.83 1h1s s PHE 80 N 1.82 2.08 0.43 5.22 0.40 0.12 0.90 117.98 128.93 1h1s s PHE 80 Ca 0.09 -0.40 -0.26 0.00 -0.60 0.00 0.00 56.93 55.76 1h1s s PHE 80 Cb -0.16 -1.09 -0.09 0.00 0.51 0.00 0.00 43.02 42.19 1h1s s PHE 80 CO 0.11 0.33 1.40 -0.85 0.70 0.00 0.00 175.22 176.91 1h1s n GLU 81 N 0.72 2.26 -2.98 0.44 0.28 -1.02 -0.44 120.64 119.89 1h1s n GLU 81 Ca -0.16 0.80 -0.41 0.00 -0.16 0.00 0.00 57.16 57.23 1h1s n GLU 81 Cb 0.54 -2.57 -0.05 0.00 1.43 0.00 0.00 31.44 30.80 1h1s n GLU 81 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1h1s s PHE 82 N -1.17 3.39 0.05 -1.84 5.36 -1.25 -4.25 117.98 118.27 1h1s s PHE 82 Ca 0.59 1.11 0.04 0.00 -0.96 0.00 0.00 56.93 57.71 1h1s s PHE 82 Cb -0.47 -2.93 -0.04 0.00 -0.34 0.00 0.00 43.02 39.24 1h1s s PHE 82 CO 0.59 -0.23 -0.03 -0.51 -1.46 0.00 0.00 175.22 173.58 1h1s s LEU 83 N 2.10 3.33 0.05 6.12 1.43 -1.26 -4.97 118.68 125.48 1h1s s LEU 83 Ca 0.34 -0.17 -0.24 0.00 -1.03 0.00 0.00 54.13 53.03 1h1s s LEU 83 Cb -0.16 -2.01 -0.17 0.00 0.03 0.00 0.00 46.19 43.88 1h1s s LEU 83 CO 0.11 0.22 1.55 0.45 0.23 0.00 0.00 176.35 178.91 1h1s h HIS 84 N 3.91 -0.05 -3.21 0.29 3.86 -1.87 -3.48 115.15 114.60 1h1s h HIS 84 Ca -0.48 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 58.74 1h1s h HIS 84 Cb 1.17 0.02 -0.05 0.00 1.06 0.00 0.00 27.41 29.60 1h1s h HIS 84 CO 0.60 0.14 0.14 1.14 0.86 0.00 0.00 177.93 180.81 1h1s s GLN 85 N -5.44 1.81 0.59 2.45 -2.07 -0.98 -5.00 119.66 111.02 1h1s s GLN 85 Ca -0.14 -1.16 0.02 0.00 -1.82 0.00 0.00 55.36 52.26 1h1s s GLN 85 Cb 0.04 0.57 0.06 0.00 -1.09 0.00 0.00 33.01 32.60 1h1s s GLN 85 CO 0.66 -0.81 0.82 0.16 -1.32 0.00 0.00 175.29 174.79 1h1s s ASP 86 N -2.98 5.03 0.26 12.60 1.47 -1.26 -0.92 116.67 130.87 1h1s s ASP 86 Ca 0.15 -0.20 0.08 0.00 1.18 0.00 0.00 52.55 53.76 1h1s s ASP 86 Cb -0.04 -0.53 0.31 0.00 -0.34 0.00 0.00 42.92 42.31 1h1s s ASP 86 CO 0.09 -1.33 1.59 0.25 0.68 0.00 0.00 175.17 176.45 1h1s h LEU 87 N -0.05 0.13 -0.55 2.11 5.85 -0.88 -2.23 115.31 119.68 1h1s h LEU 87 Ca -0.39 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 1h1s h LEU 87 Cb 1.29 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1h1s h LEU 87 CO 0.48 0.71 0.11 0.50 -0.34 0.00 0.00 178.44 179.90 1h1s h LYS 88 N 0.08 0.90 -0.24 1.25 3.64 -1.83 -1.23 116.57 119.15 1h1s h LYS 88 Ca -0.01 -0.23 -0.15 0.00 -1.27 0.00 0.00 60.65 58.99 1h1s h LYS 88 Cb 1.09 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 1h1s h LYS 88 CO 0.09 0.86 -0.47 -0.22 -2.27 0.00 0.00 179.45 177.43 1h1s h LYS 89 N 0.80 0.64 -0.39 1.90 3.64 -1.90 -2.80 116.57 118.46 1h1s h LYS 89 Ca 0.17 -0.36 -0.10 0.00 -1.27 0.00 0.00 60.65 59.09 1h1s h LYS 89 Cb 0.37 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1h1s h LYS 89 CO 0.01 0.97 -0.17 0.35 -2.27 0.00 0.00 179.45 178.34 1h1s h PHE 90 N 0.51 0.82 -0.24 1.91 3.57 -1.27 -2.23 116.94 120.00 1h1s h PHE 90 Ca 0.03 -0.17 -0.11 0.00 3.53 0.00 0.00 57.97 61.25 1h1s h PHE 90 Cb 1.01 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 1h1s h PHE 90 CO 0.05 0.85 -0.31 0.52 -2.23 0.00 0.00 178.31 177.19 1h1s h MET 91 N 0.66 0.49 -0.13 1.11 2.86 -1.23 -2.53 114.93 116.17 1h1s h MET 91 Ca 0.10 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1h1s h MET 91 Cb 0.65 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.29 1h1s h MET 91 CO 0.05 0.75 -0.04 -0.44 1.06 0.00 0.00 176.91 178.29 1h1s h ASP 92 N 0.42 0.25 -0.00 1.22 3.32 -1.24 -1.84 116.42 118.55 1h1s h ASP 92 Ca 0.05 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1h1s h ASP 92 Cb 0.76 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 1h1s h ASP 92 CO 0.06 0.57 0.01 0.00 -1.72 0.00 0.00 179.24 178.16 1h1s h ALA 93 N 0.69 1.45 -0.17 3.45 0.00 -1.35 0.01 119.26 123.34 1h1s h ALA 93 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1h1s h ALA 93 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1h1s h ALA 93 CO 0.01 -0.01 0.00 0.43 0.00 0.00 0.00 179.25 179.69 1h1s n SER 94 N -3.73 2.69 0.19 0.00 7.64 -0.96 -4.62 113.62 114.84 1h1s n SER 94 Ca -0.03 -1.87 0.12 0.00 1.01 0.00 0.00 58.87 58.10 1h1s n SER 94 Cb 0.09 -0.10 0.68 0.00 -1.01 0.00 0.00 64.21 63.86 1h1s n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h1s h ALA 95 N 4.48 2.11 -3.00 -0.43 0.00 -0.14 1.02 119.26 123.29 1h1s h ALA 95 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1h1s h ALA 95 Cb 0.83 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1h1s h ALA 95 CO 0.00 -0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.34 1h1s n LEU 96 N -4.43 0.00 0.00 0.00 4.77 -1.26 -4.44 117.00 111.64 1h1s n LEU 96 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1h1s n LEU 96 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1h1s n LEU 96 CO 0.34 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.75 1h1s n THR 97 N 0.00 0.00 0.00 -5.08 -2.24 -1.25 -4.88 114.28 100.83 1h1s n THR 97 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1h1s n THR 97 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1h1s n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h1s n GLY 98 N 0.00 0.53 3.58 3.38 0.00 0.35 -4.89 105.19 108.15 1h1s n GLY 98 Ca 0.00 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 1h1s n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h1s s ILE 99 N -2.98 4.80 0.34 -0.61 1.01 -1.26 -4.94 121.20 117.56 1h1s s ILE 99 Ca 0.00 0.82 -0.25 0.00 0.00 0.00 0.00 60.65 61.21 1h1s s ILE 99 Cb 0.00 -4.15 -0.14 0.00 0.01 0.00 0.00 42.46 38.18 1h1s s ILE 99 CO 0.00 -0.36 0.67 -2.65 0.00 0.00 0.00 174.94 172.60 1h1s n PRO 100 N 6.24 0.67 -0.29 2.79 -0.02 -1.26 -4.74 135.00 138.40 1h1s n PRO 100 Ca 0.01 0.24 0.11 0.00 -2.02 0.00 0.00 63.50 61.84 1h1s n PRO 100 Cb 0.48 -1.49 0.35 0.00 -0.02 0.00 0.00 33.50 32.82 1h1s n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1h1s h LEU 101 N 1.19 0.71 -1.44 2.45 7.12 -1.98 -0.56 115.31 122.81 1h1s h LEU 101 Ca -0.37 0.04 -0.04 0.00 0.13 0.00 0.00 57.88 57.64 1h1s h LEU 101 Cb 1.39 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 41.42 1h1s h LEU 101 CO 0.55 0.37 -0.19 -0.65 -0.13 0.00 0.00 178.44 178.39 1h1s h PRO 102 N 0.76 0.00 0.13 5.25 0.11 -1.98 -1.94 132.00 134.32 1h1s h PRO 102 Ca 0.46 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 66.29 1h1s h PRO 102 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1h1s h PRO 102 CO -0.22 0.19 -1.27 1.25 -0.21 0.00 0.00 178.00 177.73 1h1s h LEU 103 N 0.00 0.42 -0.33 2.35 5.85 -1.45 -1.18 115.31 120.97 1h1s h LEU 103 Ca -0.00 -0.46 -0.10 0.00 0.84 0.00 0.00 57.88 58.16 1h1s h LEU 103 Cb 0.59 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1h1s h LEU 103 CO 0.02 1.36 -0.18 0.40 -0.34 0.00 0.00 178.44 179.71 1h1s h ILE 104 N 0.07 1.29 -0.10 4.05 2.04 -1.37 0.22 117.51 123.72 1h1s h ILE 104 Ca -0.14 -1.30 -0.16 0.00 1.00 0.00 0.00 64.86 64.25 1h1s h ILE 104 Cb 1.98 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 39.48 1h1s h ILE 104 CO 0.20 0.42 -0.64 0.50 0.00 0.00 0.00 178.15 178.64 1h1s h LYS 105 N 0.47 0.37 0.26 2.37 3.64 -1.36 -0.16 116.57 122.16 1h1s h LYS 105 Ca 0.07 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 1h1s h LYS 105 Cb 0.72 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1h1s h LYS 105 CO 0.05 0.88 -0.13 1.03 -2.27 0.00 0.00 179.45 179.02 1h1s h SER 106 N 0.27 -0.30 0.09 4.20 0.87 -1.11 -1.65 113.55 115.91 1h1s h SER 106 Ca -0.01 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.33 1h1s h SER 106 Cb 1.17 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 1h1s h SER 106 CO 0.11 0.05 -0.11 1.88 -0.53 0.00 0.00 176.83 178.23 1h1s h TYR 107 N -0.69 0.06 0.02 2.24 0.05 -0.88 0.34 116.97 118.11 1h1s h TYR 107 Ca -0.04 -0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.52 1h1s h TYR 107 Cb 0.48 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 1h1s h TYR 107 CO 0.02 0.17 -0.95 1.25 -1.05 0.00 0.00 178.16 177.61 1h1s h LEU 108 N 0.05 0.34 -0.23 3.88 5.85 -1.01 -1.75 115.31 122.45 1h1s h LEU 108 Ca 0.01 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 1h1s h LEU 108 Cb 0.24 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1h1s h LEU 108 CO 0.02 1.12 -0.04 0.15 -0.34 0.00 0.00 178.44 179.34 1h1s h PHE 109 N 0.13 0.49 -0.83 1.25 3.57 -0.02 -2.09 116.94 119.44 1h1s h PHE 109 Ca -0.06 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.32 1h1s h PHE 109 Cb 1.60 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 40.18 1h1s h PHE 109 CO 0.04 0.65 0.46 1.96 -2.23 0.00 0.00 178.31 179.19 1h1s h GLN 110 N 0.18 1.16 -0.11 1.11 4.20 -1.00 -2.30 115.11 118.36 1h1s h GLN 110 Ca 0.06 -0.13 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 1h1s h GLN 110 Cb 0.48 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1h1s h GLN 110 CO 0.02 0.85 -0.36 -0.07 -0.67 0.00 0.00 178.83 178.60 1h1s h LEU 111 N 1.16 0.24 -0.34 1.46 3.38 -1.28 -1.70 115.31 118.23 1h1s h LEU 111 Ca 0.29 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 58.00 1h1s h LEU 111 Cb 0.03 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1h1s h LEU 111 CO -0.05 0.59 -0.45 -0.07 0.09 0.00 0.00 178.44 178.55 1h1s h LEU 112 N 0.20 0.99 -0.89 1.67 3.38 -1.02 -0.03 115.31 119.61 1h1s h LEU 112 Ca 0.02 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1h1s h LEU 112 Cb 0.74 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1h1s h LEU 112 CO 0.06 1.29 0.50 1.56 0.09 0.00 0.00 178.44 181.93 1h1s h GLN 113 N 0.71 1.23 -0.23 1.13 4.20 -1.25 0.54 115.11 121.45 1h1s h GLN 113 Ca 0.04 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1h1s h GLN 113 Cb 1.05 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 1h1s h GLN 113 CO 0.11 0.89 0.12 0.78 -0.67 0.00 0.00 178.83 180.06 1h1s h GLY 114 N 1.24 0.35 0.91 3.46 0.00 -1.11 -1.54 103.07 106.38 1h1s h GLY 114 Ca 0.31 -0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.36 1h1s h GLY 114 CO -0.05 0.15 -0.34 -2.00 0.00 0.00 0.00 176.54 174.30 1h1s h LEU 115 N 0.26 0.66 -0.71 3.11 5.85 -0.49 -1.91 115.31 122.07 1h1s h LEU 115 Ca 0.08 -0.53 0.07 0.00 0.84 0.00 0.00 57.88 58.34 1h1s h LEU 115 Cb 0.08 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 1h1s h LEU 115 CO -0.01 1.06 0.39 0.00 -0.34 0.00 0.00 178.44 179.54 1h1s h ALA 116 N 0.62 0.97 -0.13 1.25 0.00 0.14 0.23 119.26 122.34 1h1s h ALA 116 Ca 0.02 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1h1s h ALA 116 Cb 0.93 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1h1s h ALA 116 CO 0.08 0.04 -0.04 0.35 0.00 0.00 0.00 179.25 179.68 1h1s h PHE 117 N 0.69 -0.08 0.05 0.00 3.57 -0.98 -0.74 116.94 119.45 1h1s h PHE 117 Ca 0.33 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.87 1h1s h PHE 117 Cb 0.26 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 1h1s h PHE 117 CO -0.08 -0.06 -0.32 0.00 -2.23 0.00 0.00 178.31 175.61 1h1s h HIS 119 N -0.51 0.00 0.00 0.00 3.86 -0.65 -0.43 115.15 117.43 1h1s h HIS 119 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1h1s h HIS 119 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1h1s h HIS 119 CO -0.32 0.14 0.00 0.77 0.86 0.00 0.00 177.93 179.38 1h1s h SER 120 N 0.00 0.00 -0.24 2.45 0.02 -0.74 -2.75 113.55 112.30 1h1s h SER 120 Ca -0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1h1s h SER 120 Cb 0.28 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 1h1s h SER 120 CO 0.02 0.00 -0.11 1.41 -1.14 0.00 0.00 176.83 177.01 1h1s n HIS 121 N -2.83 0.76 -3.99 3.45 8.25 -0.31 -4.98 115.22 115.57 1h1s n HIS 121 Ca 0.02 -1.34 -0.28 0.00 -0.26 0.00 0.00 57.72 55.86 1h1s n HIS 121 Cb 0.32 -0.37 -0.01 0.00 1.12 0.00 0.00 29.99 31.05 1h1s n HIS 121 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1h1s n ARG 122 N -1.02 -3.58 -4.66 -0.41 -4.01 -0.96 -4.95 116.66 97.07 1h1s n ARG 122 Ca 0.26 0.43 -0.25 0.00 -1.04 0.00 0.00 57.85 57.25 1h1s n ARG 122 Cb 0.90 -4.77 -0.17 0.00 -3.04 0.00 0.00 32.46 25.38 1h1s n ARG 122 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 1h1s s VAL 123 N -3.75 1.23 -0.16 8.89 1.01 -0.38 -0.73 120.40 126.52 1h1s s VAL 123 Ca 0.21 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 1h1s s VAL 123 Cb -0.11 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1h1s s VAL 123 CO 0.89 0.38 0.04 -0.76 0.00 0.00 0.00 175.10 175.64 1h1s s LEU 124 N 0.57 3.74 -0.09 3.92 1.43 -0.89 -3.20 118.68 124.16 1h1s s LEU 124 Ca -0.14 0.09 -0.25 0.00 -1.03 0.00 0.00 54.13 52.80 1h1s s LEU 124 Cb -0.15 -1.92 -0.21 0.00 0.03 0.00 0.00 46.19 43.93 1h1s s LEU 124 CO 0.04 0.22 0.90 -0.74 0.23 0.00 0.00 176.35 177.01 1h1s h HIS 125 N 6.34 -0.03 -0.78 0.29 -0.00 -1.90 -0.78 115.15 118.29 1h1s h HIS 125 Ca -0.39 -0.00 -0.33 0.00 -0.00 0.00 0.00 60.37 59.64 1h1s h HIS 125 Cb 1.18 0.01 -0.13 0.00 -0.00 0.00 0.00 27.41 28.47 1h1s h HIS 125 CO 0.58 0.66 -0.30 0.54 -0.00 0.00 0.00 177.93 179.41 1h1s n ARG 126 N -4.75 -1.16 -2.57 5.26 1.74 -1.26 -3.29 116.66 110.63 1h1s n ARG 126 Ca -0.09 1.07 -0.02 0.00 -0.77 0.00 0.00 57.85 58.05 1h1s n ARG 126 Cb 0.35 -5.28 0.12 0.00 -1.02 0.00 0.00 32.46 26.63 1h1s n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1h1s n ASP 127 N -0.68 -1.36 -4.73 0.55 2.03 -1.26 -1.81 116.55 109.29 1h1s n ASP 127 Ca -0.16 -2.13 -0.41 0.00 0.52 0.00 0.00 54.79 52.61 1h1s n ASP 127 Cb 0.54 0.65 -0.04 0.00 -0.72 0.00 0.00 41.12 41.55 1h1s n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1h1s s LEU 128 N -3.74 4.48 -0.10 -2.67 1.43 -1.26 -4.87 118.68 111.96 1h1s s LEU 128 Ca 0.09 1.87 -0.31 0.00 -1.03 0.00 0.00 54.13 54.75 1h1s s LEU 128 Cb 0.41 -3.59 0.12 0.00 0.03 0.00 0.00 46.19 43.16 1h1s s LEU 128 CO -0.12 -0.14 1.01 -1.59 0.23 0.00 0.00 176.35 175.74 1h1s s LYS 129 N 0.02 0.62 0.32 1.70 -2.85 -1.26 -4.84 119.74 113.44 1h1s s LYS 129 Ca 0.48 -0.13 0.10 0.00 -1.00 0.00 0.00 55.97 55.42 1h1s s LYS 129 Cb -0.25 0.29 0.92 0.00 -2.06 0.00 0.00 37.83 36.73 1h1s s LYS 129 CO 0.31 -0.25 1.69 -1.35 0.10 0.00 0.00 175.35 175.84 1h1s h PRO 130 N 2.15 0.39 0.00 1.78 0.11 -1.94 -1.56 132.00 132.93 1h1s h PRO 130 Ca -0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1h1s h PRO 130 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1h1s h PRO 130 CO 0.29 0.26 0.00 1.96 -0.21 0.00 0.00 178.00 180.29 1h1s h GLN 131 N 0.40 0.00 -0.69 1.05 7.50 -1.96 -2.43 115.11 118.98 1h1s h GLN 131 Ca 0.66 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.81 1h1s h GLN 131 Cb 1.37 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.90 1h1s h GLN 131 CO -0.56 0.00 0.00 0.09 -1.50 0.00 0.00 178.83 176.86 1h1s n ASN 132 N -2.58 3.84 -4.27 1.46 3.02 -0.59 -4.81 115.26 111.33 1h1s n ASN 132 Ca 0.02 -2.00 -0.34 0.00 -0.03 0.00 0.00 54.58 52.23 1h1s n ASN 132 Cb 0.26 -0.46 -0.15 0.00 -0.61 0.00 0.00 39.78 38.83 1h1s n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1h1s s LEU 133 N -1.01 2.66 -0.04 3.41 1.43 -0.93 -1.15 118.68 123.05 1h1s s LEU 133 Ca 0.46 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 1h1s s LEU 133 Cb 0.24 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 1h1s s LEU 133 CO 0.31 0.02 -0.12 -0.76 0.23 0.00 0.00 176.35 176.04 1h1s s LEU 134 N 1.22 2.89 0.14 1.79 1.43 -0.38 -0.90 118.68 124.87 1h1s s LEU 134 Ca 0.02 -0.15 0.07 0.00 -1.03 0.00 0.00 54.13 53.04 1h1s s LEU 134 Cb -0.14 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 1h1s s LEU 134 CO -0.04 0.34 -0.16 0.27 0.23 0.00 0.00 176.35 176.99 1h1s s ILE 135 N -0.79 1.54 0.53 -0.59 -4.36 -0.10 0.90 121.20 118.33 1h1s s ILE 135 Ca 0.12 -1.81 0.02 0.00 -0.26 0.00 0.00 60.65 58.73 1h1s s ILE 135 Cb -0.11 -1.67 0.01 0.00 1.25 0.00 0.00 42.46 41.94 1h1s s ILE 135 CO 0.02 -0.37 0.16 0.54 0.24 0.00 0.00 174.94 175.53 1h1s s ASN 136 N -2.55 4.34 -0.38 4.36 2.20 -1.02 -2.33 114.94 119.56 1h1s s ASN 136 Ca 0.12 -1.52 -0.02 0.00 -0.94 0.00 0.00 52.86 50.50 1h1s s ASN 136 Cb -0.05 0.55 0.20 0.00 -2.00 0.00 0.00 41.25 39.95 1h1s s ASN 136 CO 0.04 -0.99 2.20 0.35 -2.94 0.00 0.00 177.10 175.77 1h1s n THR 137 N -1.49 2.98 -0.89 0.54 -2.24 -1.26 -3.63 114.28 108.29 1h1s n THR 137 Ca -0.13 -2.08 0.00 0.00 -2.27 0.00 0.00 64.05 59.57 1h1s n THR 137 Cb 0.66 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 1h1s n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1h1s n GLU 138 N 0.37 -0.06 -0.13 -0.78 1.02 -1.26 -4.90 120.64 114.89 1h1s n GLU 138 Ca 0.37 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 1h1s n GLU 138 Cb 0.58 -0.56 0.00 0.00 -0.02 0.00 0.00 31.44 31.44 1h1s n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h1s n GLY 139 N -0.01 0.91 3.92 0.62 0.00 -1.24 -4.66 105.19 104.74 1h1s n GLY 139 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1h1s n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h1s s ALA 140 N -2.02 3.76 0.02 4.61 0.00 -1.26 -4.88 121.76 121.99 1h1s s ALA 140 Ca 0.00 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.21 1h1s s ALA 140 Cb 0.00 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.03 1h1s s ALA 140 CO 0.00 0.32 -0.11 -1.50 0.00 0.00 0.00 175.76 174.47 1h1s s ILE 141 N -1.99 0.88 0.08 0.00 2.07 -1.26 -2.43 121.20 118.55 1h1s s ILE 141 Ca 0.40 -0.73 0.06 0.00 -1.41 0.00 0.00 60.65 58.97 1h1s s ILE 141 Cb -0.11 -0.79 -0.03 0.00 0.13 0.00 0.00 42.46 41.67 1h1s s ILE 141 CO 0.30 0.06 -0.16 -0.54 -1.91 0.00 0.00 174.94 172.69 1h1s s LYS 142 N -0.75 0.91 0.28 3.50 1.02 0.26 -4.59 119.74 120.37 1h1s s LYS 142 Ca 0.01 -1.00 -0.29 0.00 0.02 0.00 0.00 55.97 54.70 1h1s s LYS 142 Cb -0.06 -1.00 -0.09 0.00 -0.52 0.00 0.00 37.83 36.16 1h1s s LYS 142 CO 0.00 0.23 1.08 -0.51 -0.92 0.00 0.00 175.35 175.23 1h1s s LEU 143 N -1.76 4.56 0.00 3.17 1.43 -0.67 -1.25 118.68 124.17 1h1s s LEU 143 Ca 0.01 2.22 0.07 0.00 -1.03 0.00 0.00 54.13 55.40 1h1s s LEU 143 Cb -0.10 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1h1s s LEU 143 CO 0.03 -0.10 0.27 0.00 0.23 0.00 0.00 176.35 176.78 1h1s n ALA 144 N 1.22 0.69 -3.39 4.21 0.00 -0.30 -0.87 120.51 122.08 1h1s n ALA 144 Ca -0.01 -1.88 -0.25 0.00 0.00 0.00 0.00 53.44 51.30 1h1s n ALA 144 Cb 0.45 1.52 0.02 0.00 0.00 0.00 0.00 19.45 21.44 1h1s n ALA 144 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1h1s n ASP 145 N -1.73 -6.13 -0.84 0.00 -0.08 -1.26 -4.83 116.55 101.67 1h1s n ASP 145 Ca 0.07 -0.19 0.04 0.00 -1.51 0.00 0.00 54.79 53.20 1h1s n ASP 145 Cb 0.58 -2.87 0.16 0.00 2.34 0.00 0.00 41.12 41.33 1h1s n ASP 145 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1h1s n PHE 146 N -0.97 0.66 0.15 -0.67 3.01 -1.26 -4.48 117.46 113.90 1h1s n PHE 146 Ca -0.09 -0.26 0.18 0.00 1.01 0.00 0.00 57.45 58.29 1h1s n PHE 146 Cb 0.62 -0.14 0.63 0.00 -0.01 0.00 0.00 39.48 40.58 1h1s n PHE 146 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1h1s h GLY 147 N 4.95 0.00 -0.61 1.37 0.00 -1.90 -2.12 103.07 104.75 1h1s h GLY 147 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1h1s h GLY 147 CO 0.11 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.69 1h1s n LEU 148 N -3.23 2.17 -4.86 3.11 4.32 -1.26 -4.74 117.00 112.51 1h1s n LEU 148 Ca 0.06 -1.68 -0.31 0.00 -0.02 0.00 0.00 56.01 54.06 1h1s n LEU 148 Cb 0.74 -0.08 0.02 0.00 -1.62 0.00 0.00 43.42 42.47 1h1s n LEU 148 CO 0.19 0.52 0.72 0.00 -1.22 0.00 0.00 177.39 177.60 1h1s s ALA 149 N -0.84 3.02 -0.02 -1.18 0.00 -0.80 -4.66 121.76 117.29 1h1s s ALA 149 Ca 0.11 -0.05 -0.13 0.00 0.00 0.00 0.00 51.96 51.89 1h1s s ALA 149 Cb 0.06 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 20.10 1h1s s ALA 149 CO 0.08 -0.77 0.27 -0.98 0.00 0.00 0.00 175.76 174.36 1h1s s ARG 150 N -5.11 0.59 0.30 0.00 1.70 -0.30 -4.82 118.95 111.32 1h1s s ARG 150 Ca 0.56 -0.17 -0.29 0.00 -0.47 0.00 0.00 55.73 55.35 1h1s s ARG 150 Cb -0.12 0.26 -0.10 0.00 -0.57 0.00 0.00 34.95 34.42 1h1s s ARG 150 CO 0.53 -0.15 1.27 0.00 -1.08 0.00 0.00 175.30 175.87 1h1s s ALA 151 N -1.18 3.49 0.41 7.88 0.00 -1.26 -2.10 121.76 129.00 1h1s s ALA 151 Ca -0.12 1.18 0.07 0.00 0.00 0.00 0.00 51.96 53.09 1h1s s ALA 151 Cb -0.05 -3.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 1h1s s ALA 151 CO 0.03 -0.54 0.12 -0.59 0.00 0.00 0.00 175.76 174.78 1h1s s PHE 152 N -0.95 2.58 0.36 0.00 -0.71 0.09 -4.93 117.98 114.42 1h1s s PHE 152 Ca 0.49 -0.61 0.08 0.00 -1.04 0.00 0.00 56.93 55.86 1h1s s PHE 152 Cb -0.38 -1.88 -0.06 0.00 -1.21 0.00 0.00 43.02 39.49 1h1s s PHE 152 CO 0.49 0.28 0.03 0.20 -1.34 0.00 0.00 175.22 174.88 1h1s s GLY 153 N -3.83 2.18 -0.23 1.99 0.00 -1.26 -4.87 107.32 101.29 1h1s s GLY 153 Ca 0.39 -2.04 -0.02 0.00 0.00 0.00 0.00 44.72 43.05 1h1s s GLY 153 CO 0.21 -1.94 -0.08 0.14 0.00 0.00 0.00 173.10 171.43 1h1s s VAL 154 N -2.56 2.90 0.84 1.40 1.01 -1.26 -2.85 120.40 119.89 1h1s s VAL 154 Ca 0.36 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 1h1s s VAL 154 Cb 0.02 -2.38 0.10 0.00 0.00 0.00 0.00 36.38 34.12 1h1s s VAL 154 CO 0.19 0.34 1.13 -2.16 0.00 0.00 0.00 175.10 174.60 1h1s s PRO 155 N 1.37 1.69 0.76 2.72 0.04 -1.26 -5.10 135.00 135.23 1h1s s PRO 155 Ca 0.03 0.37 -0.11 0.00 0.04 0.00 0.00 61.00 61.33 1h1s s PRO 155 Cb -0.15 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.54 1h1s s PRO 155 CO -0.06 -1.84 1.08 0.14 0.04 0.00 0.00 177.00 176.37 1h1s s VAL 156 N -3.30 3.42 0.13 -0.36 -7.23 -1.13 -5.09 120.40 106.84 1h1s s VAL 156 Ca 0.62 0.46 0.01 0.00 -1.81 0.00 0.00 61.98 61.26 1h1s s VAL 156 Cb -0.14 -3.17 0.01 0.00 0.56 0.00 0.00 36.38 33.64 1h1s s VAL 156 CO 0.53 -0.60 0.06 -2.11 -0.31 0.00 0.00 175.10 172.66 1h1s n ARG 157 N -3.36 1.46 -2.35 4.82 1.85 -1.26 -5.02 116.66 112.80 1h1s n ARG 157 Ca 0.07 -0.87 -0.42 0.00 -1.00 0.00 0.00 57.85 55.63 1h1s n ARG 157 Cb 0.55 0.15 -0.03 0.00 -1.05 0.00 0.00 32.46 32.08 1h1s n ARG 157 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1h1s s THR 158 N -0.98 3.83 0.00 8.89 2.01 -1.25 -4.75 115.64 123.39 1h1s s THR 158 Ca 0.04 1.31 0.00 0.00 0.31 0.00 0.00 61.69 63.35 1h1s s THR 158 Cb -0.00 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.67 1h1s s THR 158 CO 0.03 0.09 0.24 -1.22 -0.69 0.00 0.00 174.62 173.07 1h1s n TYR 159 N 4.05 0.00 0.00 4.92 4.01 -1.26 -5.09 117.16 123.79 1h1s n TYR 159 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 1h1s n TYR 159 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.48 1h1s n TYR 159 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1h1s n HIS 161 N -0.47 0.00 -2.45 -0.72 -0.00 -1.26 -5.02 115.22 105.30 1h1s n HIS 161 Ca 0.00 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.79 1h1s n HIS 161 Cb 0.01 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.84 1h1s n HIS 161 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 1h1s s GLU 162 N -1.92 3.31 -0.09 1.57 8.01 -1.26 -4.91 118.70 123.42 1h1s s GLU 162 Ca 0.00 -0.75 -0.20 0.00 0.01 0.00 0.00 54.97 54.03 1h1s s GLU 162 Cb 0.00 -5.05 0.04 0.00 -4.31 0.00 0.00 34.13 24.81 1h1s s GLU 162 CO 0.00 -2.40 0.47 0.54 0.01 0.00 0.00 175.26 173.88 1h1s s VAL 163 N 6.10 0.02 0.04 2.63 0.11 -1.26 -5.10 120.40 122.94 1h1s s VAL 163 Ca 0.49 -0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 1h1s s VAL 163 Cb -0.03 -0.74 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 1h1s s VAL 163 CO -0.03 -0.10 0.00 0.52 -3.33 0.00 0.00 175.10 172.17 1h1s n VAL 164 N 1.73 -1.39 -2.26 2.04 0.31 -0.75 -4.92 118.33 113.09 1h1s n VAL 164 Ca -0.18 0.21 -0.41 0.00 -0.01 0.00 0.00 64.34 63.96 1h1s n VAL 164 Cb 0.56 -0.57 -0.03 0.00 -0.91 0.00 0.00 33.84 32.89 1h1s n VAL 164 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1h1s s THR 165 N -1.80 3.09 0.22 2.52 2.01 -1.26 -4.80 115.64 115.62 1h1s s THR 165 Ca 0.00 1.04 -0.15 0.00 0.31 0.00 0.00 61.69 62.89 1h1s s THR 165 Cb 0.00 -3.66 0.26 0.00 0.01 0.00 0.00 72.50 69.11 1h1s s THR 165 CO 0.00 0.22 1.59 0.25 -0.69 0.00 0.00 174.62 175.99 1h1s h LEU 166 N 4.04 -0.94 -1.81 4.42 5.85 -1.97 -1.72 115.31 123.18 1h1s h LEU 166 Ca -0.47 0.24 0.12 0.00 0.84 0.00 0.00 57.88 58.62 1h1s h LEU 166 Cb 1.22 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 42.77 1h1s h LEU 166 CO 0.69 -0.28 0.39 -0.50 -0.34 0.00 0.00 178.44 178.40 1h1s h TRP 167 N -0.05 0.23 -0.41 1.25 4.06 -1.88 -1.06 115.95 118.09 1h1s h TRP 167 Ca 0.33 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.29 1h1s h TRP 167 Cb 0.57 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.66 1h1s h TRP 167 CO -0.66 0.10 0.00 0.66 -3.56 0.00 0.00 178.44 174.98 1h1s n TYR 168 N -4.44 1.02 -3.08 0.49 4.01 -0.68 -4.49 117.16 110.00 1h1s n TYR 168 Ca 0.10 -0.69 -0.39 0.00 -0.16 0.00 0.00 57.90 56.75 1h1s n TYR 168 Cb 0.48 -0.23 -0.05 0.00 -0.31 0.00 0.00 39.34 39.24 1h1s n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1h1s s ARG 169 N -2.03 4.42 0.62 -0.72 3.52 -0.40 -4.03 118.95 120.33 1h1s s ARG 169 Ca 0.40 0.84 -0.16 0.00 -0.13 0.00 0.00 55.73 56.67 1h1s s ARG 169 Cb 0.28 -3.43 -0.02 0.00 -1.56 0.00 0.00 34.95 30.22 1h1s s ARG 169 CO 0.16 0.12 1.11 0.00 -0.81 0.00 0.00 175.30 175.87 1h1s s ALA 170 N 0.62 2.56 0.18 6.12 0.00 -1.26 -4.89 121.76 125.08 1h1s s ALA 170 Ca 0.36 0.59 -0.13 0.00 0.00 0.00 0.00 51.96 52.78 1h1s s ALA 170 Cb -0.18 -3.32 0.10 0.00 0.00 0.00 0.00 23.12 19.73 1h1s s ALA 170 CO 0.18 -1.10 1.81 -1.35 0.00 0.00 0.00 175.76 175.30 1h1s h PRO 171 N 0.35 0.60 -0.58 0.00 0.11 -1.96 -1.67 132.00 128.86 1h1s h PRO 171 Ca -0.48 -0.04 0.16 0.00 0.11 0.00 0.00 66.00 65.76 1h1s h PRO 171 Cb 1.25 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1h1s h PRO 171 CO 0.55 0.40 0.41 1.05 -0.21 0.00 0.00 178.00 180.20 1h1s h GLU 172 N 0.62 0.05 0.00 1.05 9.09 -1.93 0.56 114.58 124.03 1h1s h GLU 172 Ca 0.21 -0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.57 1h1s h GLU 172 Cb 0.02 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 1h1s h GLU 172 CO -0.10 0.03 -0.17 0.82 0.05 0.00 0.00 179.01 179.65 1h1s h ILE 173 N 0.05 1.59 -0.98 -1.06 2.04 -1.67 -1.01 117.51 116.47 1h1s h ILE 173 Ca 0.28 -1.95 0.13 0.00 1.00 0.00 0.00 64.86 64.31 1h1s h ILE 173 Cb 1.03 2.85 -0.08 0.00 -0.74 0.00 0.00 36.82 39.88 1h1s h ILE 173 CO -0.02 0.53 0.62 -0.07 0.00 0.00 0.00 178.15 179.21 1h1s h LEU 174 N -0.62 0.87 -0.02 1.44 3.38 -0.68 0.26 115.31 119.94 1h1s h LEU 174 Ca -0.02 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1h1s h LEU 174 Cb 0.95 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1h1s h LEU 174 CO 0.03 0.45 0.00 0.18 0.09 0.00 0.00 178.44 179.20 1h1s n LEU 175 N -4.61 0.09 0.00 1.67 4.77 0.18 -4.81 117.00 114.29 1h1s n LEU 175 Ca 0.19 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.68 1h1s n LEU 175 Cb 0.38 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1h1s n LEU 175 CO 0.28 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1h1s n GLY 176 N 1.15 0.59 3.54 -0.72 0.00 0.08 -0.23 105.19 109.60 1h1s n GLY 176 Ca 0.06 -0.54 -0.51 0.00 0.00 0.00 0.00 46.02 45.02 1h1s n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h1s h LYS 178 N 3.19 0.00 -4.22 0.00 3.64 -1.95 -3.41 116.57 113.82 1h1s h LYS 178 Ca -0.44 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.44 1h1s h LYS 178 Cb 1.37 0.00 -0.36 0.00 -0.41 0.00 0.00 32.23 32.83 1h1s h LYS 178 CO 0.69 0.10 -0.80 0.71 -2.27 0.00 0.00 179.45 177.88 1h1s s TYR 179 N -4.46 1.32 0.24 1.91 2.02 -1.26 -3.91 117.35 113.20 1h1s s TYR 179 Ca -0.04 -0.58 0.06 0.00 -0.37 0.00 0.00 57.07 56.14 1h1s s TYR 179 Cb 0.14 -1.09 -0.05 0.00 -0.40 0.00 0.00 41.96 40.56 1h1s s TYR 179 CO 0.61 -0.41 -0.05 1.52 -1.57 0.00 0.00 175.55 175.65 1h1s s TYR 180 N 1.43 1.74 0.00 2.71 -0.85 -1.26 -5.02 117.35 116.10 1h1s s TYR 180 Ca -0.01 -0.76 0.00 0.00 -0.52 0.00 0.00 57.07 55.78 1h1s s TYR 180 Cb -0.13 -0.97 0.00 0.00 0.38 0.00 0.00 41.96 41.23 1h1s s TYR 180 CO -0.04 0.17 0.00 0.45 -1.52 0.00 0.00 175.55 174.60 1h1s n SER 181 N -0.48 0.00 -0.41 -0.18 2.88 -1.26 -4.91 113.62 109.26 1h1s n SER 181 Ca -0.06 0.00 0.34 0.00 -1.33 0.00 0.00 58.87 57.82 1h1s n SER 181 Cb 0.63 0.00 0.65 0.00 -0.75 0.00 0.00 64.21 64.74 1h1s n SER 181 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1h1s h THR 182 N 0.00 0.28 -1.06 2.46 1.35 -1.99 0.29 112.91 114.25 1h1s h THR 182 Ca 0.00 -0.05 0.28 0.00 -0.55 0.00 0.00 66.41 66.09 1h1s h THR 182 Cb 0.00 0.12 -0.11 0.00 -1.73 0.00 0.00 68.15 66.44 1h1s h THR 182 CO 0.00 0.03 0.67 0.00 -0.25 0.00 0.00 175.52 175.97 1h1s h ALA 183 N 1.50 2.20 0.00 6.62 0.00 -1.94 -1.49 119.26 126.15 1h1s h ALA 183 Ca 0.72 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.68 1h1s h ALA 183 Cb 2.34 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 20.18 1h1s h ALA 183 CO -0.25 -0.65 -0.14 -0.39 0.00 0.00 0.00 179.25 177.82 1h1s h VAL 184 N 0.39 1.01 -0.01 0.00 -1.51 -0.81 -2.14 116.25 113.18 1h1s h VAL 184 Ca 0.63 -0.50 -0.20 0.00 -1.23 0.00 0.00 66.70 65.40 1h1s h VAL 184 Cb 1.58 1.28 0.02 0.00 -2.13 0.00 0.00 31.29 32.03 1h1s h VAL 184 CO -0.36 0.14 -0.79 0.44 -1.23 0.00 0.00 177.57 175.77 1h1s h ASP 185 N 0.00 0.72 -0.33 4.19 3.32 -1.45 -3.05 116.42 119.82 1h1s h ASP 185 Ca -0.00 -0.74 0.07 0.00 0.02 0.00 0.00 57.03 56.38 1h1s h ASP 185 Cb 0.26 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 39.53 1h1s h ASP 185 CO 0.02 1.36 -0.10 0.40 -1.72 0.00 0.00 179.24 179.19 1h1s h ILE 186 N 0.14 0.63 -0.52 0.35 1.08 -1.41 -2.23 117.51 115.55 1h1s h ILE 186 Ca -0.09 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.46 1h1s h ILE 186 Cb 1.47 0.63 -0.10 0.00 -3.07 0.00 0.00 36.82 35.74 1h1s h ILE 186 CO 0.16 0.00 -0.39 -0.25 -0.69 0.00 0.00 178.15 176.98 1h1s h TRP 187 N -0.03 -1.12 0.06 1.37 2.91 -1.40 0.17 115.95 117.91 1h1s h TRP 187 Ca 0.16 0.07 0.01 0.00 1.13 0.00 0.00 58.89 60.27 1h1s h TRP 187 Cb 0.28 0.56 -0.04 0.00 -0.51 0.00 0.00 29.16 29.44 1h1s h TRP 187 CO -0.32 -0.41 -0.46 0.77 -1.03 0.00 0.00 178.44 176.98 1h1s h SER 188 N -0.24 -1.41 -0.87 2.65 0.02 -1.38 0.15 113.55 112.48 1h1s h SER 188 Ca 0.18 0.15 0.16 0.00 -0.84 0.00 0.00 61.79 61.44 1h1s h SER 188 Cb 0.56 0.53 -0.07 0.00 0.14 0.00 0.00 62.40 63.56 1h1s h SER 188 CO -0.64 -0.47 0.56 0.25 -1.14 0.00 0.00 176.83 175.40 1h1s h LEU 189 N -0.62 0.56 -1.21 5.07 6.46 -0.78 0.49 115.31 125.27 1h1s h LEU 189 Ca 0.00 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1h1s h LEU 189 Cb 0.64 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.47 1h1s h LEU 189 CO -0.28 0.27 0.47 1.23 -0.62 0.00 0.00 178.44 179.52 1h1s h GLY 190 N 0.58 1.08 1.42 3.75 0.00 0.77 0.26 103.07 110.94 1h1s h GLY 190 Ca 0.44 -0.42 -0.13 0.00 0.00 0.00 0.00 47.33 47.22 1h1s h GLY 190 CO -0.19 0.41 -0.35 0.00 0.00 0.00 0.00 176.54 176.42 1h1s h ILE 192 N 0.54 1.29 -0.16 0.00 2.04 0.22 -1.21 117.51 120.24 1h1s h ILE 192 Ca 0.06 -1.78 0.04 0.00 1.00 0.00 0.00 64.86 64.18 1h1s h ILE 192 Cb 0.85 1.71 -0.07 0.00 -0.74 0.00 0.00 36.82 38.57 1h1s h ILE 192 CO 0.07 0.57 -0.44 0.15 0.00 0.00 0.00 178.15 178.50 1h1s h PHE 193 N 0.59 -1.29 -0.69 1.37 3.57 -0.42 -0.92 116.94 119.15 1h1s h PHE 193 Ca 0.01 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1h1s h PHE 193 Cb 1.16 0.59 -0.03 0.00 2.79 0.00 0.00 35.95 40.46 1h1s h PHE 193 CO 0.07 -0.49 0.35 0.00 -2.23 0.00 0.00 178.31 176.01 1h1s h ALA 194 N 0.07 1.31 -0.54 2.41 0.00 -1.25 -1.82 119.26 119.45 1h1s h ALA 194 Ca 0.07 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1h1s h ALA 194 Cb 0.63 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1h1s h ALA 194 CO -0.42 0.54 0.12 1.49 0.00 0.00 0.00 179.25 180.98 1h1s h GLU 195 N 0.97 0.83 0.00 0.00 4.81 -0.84 -1.78 114.58 118.57 1h1s h GLU 195 Ca 0.24 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1h1s h GLU 195 Cb 0.07 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 1h1s h GLU 195 CO -0.03 0.76 -0.01 0.52 -0.73 0.00 0.00 179.01 179.51 1h1s h MET 196 N 0.80 0.00 0.13 1.92 2.86 -0.30 -0.38 114.93 119.96 1h1s h MET 196 Ca 0.17 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.46 1h1s h MET 196 Cb 0.31 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1h1s h MET 196 CO 0.00 0.01 -1.92 0.28 1.06 0.00 0.00 176.91 176.35 1h1s h VAL 197 N 0.00 0.69 -0.00 -2.22 2.07 -1.23 -3.39 116.25 112.17 1h1s h VAL 197 Ca -0.00 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.16 1h1s h VAL 197 Cb 0.66 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1h1s h VAL 197 CO 0.00 0.87 -0.86 0.35 0.02 0.00 0.00 177.57 177.95 1h1s n THR 198 N -3.55 0.00 -2.17 2.57 -2.24 -0.70 -4.90 114.28 103.28 1h1s n THR 198 Ca -0.31 -0.04 -0.09 0.00 -2.27 0.00 0.00 64.05 61.35 1h1s n THR 198 Cb 1.03 0.94 -0.00 0.00 -2.10 0.00 0.00 70.33 70.19 1h1s n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1h1s n ARG 199 N -1.29 -0.73 -3.58 -0.78 1.74 -0.17 -5.00 116.66 106.85 1h1s n ARG 199 Ca 0.05 0.44 -0.09 0.00 -0.77 0.00 0.00 57.85 57.49 1h1s n ARG 199 Cb 0.35 -4.45 -0.04 0.00 -1.02 0.00 0.00 32.46 27.29 1h1s n ARG 199 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1h1s s ARG 200 N -4.45 0.54 0.25 5.56 1.70 -1.11 -5.03 118.95 116.41 1h1s s ARG 200 Ca 0.00 0.06 -0.31 0.00 -0.47 0.00 0.00 55.73 55.01 1h1s s ARG 200 Cb 0.00 0.25 -0.14 0.00 -0.57 0.00 0.00 34.95 34.50 1h1s s ARG 200 CO 0.00 -0.18 1.33 0.00 -1.08 0.00 0.00 175.30 175.36 1h1s n ALA 201 N 0.53 0.81 -0.09 7.88 0.00 -1.26 -4.21 120.51 124.16 1h1s n ALA 201 Ca -0.08 0.41 -0.12 0.00 0.00 0.00 0.00 53.44 53.65 1h1s n ALA 201 Cb 0.58 -2.22 -0.04 0.00 0.00 0.00 0.00 19.45 17.77 1h1s n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1h1s h LEU 202 N 3.66 0.59 -6.38 0.00 5.85 -1.91 -3.39 115.31 113.73 1h1s h LEU 202 Ca -0.45 -0.41 -0.59 0.00 0.84 0.00 0.00 57.88 57.28 1h1s h LEU 202 Cb 1.29 -0.16 -0.39 0.00 0.37 0.00 0.00 40.66 41.77 1h1s h LEU 202 CO 0.72 0.87 -0.93 0.49 -0.34 0.00 0.00 178.44 179.24 1h1s n PHE 203 N -4.44 -0.05 -2.09 1.25 3.72 -1.26 -5.00 117.46 109.59 1h1s n PHE 203 Ca -0.04 -3.53 -0.42 0.00 -0.05 0.00 0.00 57.45 53.41 1h1s n PHE 203 Cb 0.36 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 1h1s n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1h1s n PRO 204 N 2.34 3.13 -1.49 -1.08 -0.04 -1.26 -4.44 135.00 132.17 1h1s n PRO 204 Ca 0.27 -3.02 -0.31 0.00 -0.04 0.00 0.00 63.50 60.40 1h1s n PRO 204 Cb 0.47 -3.21 0.06 0.00 -0.04 0.00 0.00 33.50 30.78 1h1s n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1h1s s GLY 205 N 2.72 1.70 -0.04 0.55 0.00 -1.26 -4.97 107.32 106.02 1h1s s GLY 205 Ca 0.46 0.17 0.06 0.00 0.00 0.00 0.00 44.72 45.41 1h1s s GLY 205 CO -0.04 0.49 1.07 2.09 0.00 0.00 0.00 173.10 176.72 1h1s n ASP 206 N -3.21 2.20 -3.61 1.64 5.68 -1.26 -4.83 116.55 113.16 1h1s n ASP 206 Ca 0.08 -2.33 -0.07 0.00 -0.50 0.00 0.00 54.79 51.97 1h1s n ASP 206 Cb 0.53 -0.15 -0.02 0.00 -1.14 0.00 0.00 41.12 40.35 1h1s n ASP 206 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1h1s s SER 207 N -1.55 -0.33 0.16 -1.12 1.04 -1.26 -5.00 113.70 105.64 1h1s s SER 207 Ca 0.11 -0.20 -0.16 0.00 0.48 0.00 0.00 55.95 56.18 1h1s s SER 207 Cb 0.09 0.50 0.09 0.00 0.10 0.00 0.00 66.02 66.80 1h1s s SER 207 CO 0.02 -0.87 1.70 -0.33 0.98 0.00 0.00 173.24 174.75 1h1s h GLU 208 N 2.00 0.11 -0.70 4.02 5.08 -1.98 0.65 114.58 123.76 1h1s h GLU 208 Ca -0.25 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.04 1h1s h GLU 208 Cb 1.25 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 1h1s h GLU 208 CO 0.30 0.07 0.19 0.97 -1.00 0.00 0.00 179.01 179.54 1h1s h ILE 209 N 0.11 1.26 -0.58 3.13 6.09 -1.97 -0.98 117.51 124.57 1h1s h ILE 209 Ca 0.18 -0.93 -0.10 0.00 -1.37 0.00 0.00 64.86 62.64 1h1s h ILE 209 Cb 0.24 0.51 -0.02 0.00 0.47 0.00 0.00 36.82 38.03 1h1s h ILE 209 CO -0.29 0.36 -0.02 -0.78 -3.07 0.00 0.00 178.15 174.35 1h1s h ASP 210 N 1.05 1.01 -0.37 2.19 3.58 -1.89 -1.66 116.42 120.33 1h1s h ASP 210 Ca 0.22 -0.31 0.02 0.00 0.42 0.00 0.00 57.03 57.38 1h1s h ASP 210 Cb 0.34 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.09 1h1s h ASP 210 CO -0.00 1.08 0.20 -0.61 -2.88 0.00 0.00 179.24 177.03 1h1s h GLN 211 N 0.92 0.40 -0.14 0.28 5.75 0.80 0.21 115.11 123.33 1h1s h GLN 211 Ca 0.16 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 1h1s h GLN 211 Cb 0.57 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 1h1s h GLN 211 CO 0.03 0.26 0.09 -0.07 -2.65 0.00 0.00 178.83 176.50 1h1s h LEU 212 N 0.41 0.16 -1.09 -2.39 3.38 -0.97 -2.14 115.31 112.66 1h1s h LEU 212 Ca 0.15 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1h1s h LEU 212 Cb 0.03 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1h1s h LEU 212 CO -0.09 0.13 0.40 -0.26 0.09 0.00 0.00 178.44 178.71 1h1s h PHE 213 N 0.18 1.01 -1.00 1.13 0.04 -1.00 0.42 116.94 117.72 1h1s h PHE 213 Ca 0.05 -0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.83 1h1s h PHE 213 Cb -0.01 -0.32 -0.06 0.00 2.20 0.00 0.00 35.95 37.76 1h1s h PHE 213 CO -0.07 0.71 0.66 0.00 -0.60 0.00 0.00 178.31 179.01 1h1s h ARG 214 N 1.04 1.24 0.07 1.51 3.08 -0.31 0.12 114.38 121.12 1h1s h ARG 214 Ca 0.26 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 1h1s h ARG 214 Cb 0.04 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.81 1h1s h ARG 214 CO -0.04 0.82 -0.03 0.82 -1.07 0.00 0.00 179.97 180.47 1h1s h ILE 215 N 1.28 1.12 -0.72 2.04 2.04 -0.34 -3.11 117.51 119.83 1h1s h ILE 215 Ca 0.39 -0.66 0.02 0.00 1.00 0.00 0.00 64.86 65.62 1h1s h ILE 215 Cb -0.02 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 1h1s h ILE 215 CO -0.12 0.16 0.48 -0.26 0.00 0.00 0.00 178.15 178.41 1h1s h PHE 216 N -0.38 0.88 0.00 1.37 0.04 -0.77 0.41 116.94 118.49 1h1s h PHE 216 Ca -0.01 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1h1s h PHE 216 Cb 0.34 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1h1s h PHE 216 CO 0.02 0.53 0.00 0.54 -0.60 0.00 0.00 178.31 178.81 1h1s n ARG 217 N -4.44 0.11 -0.12 1.51 1.74 0.39 -0.16 116.66 115.69 1h1s n ARG 217 Ca 0.08 0.29 -0.22 0.00 -0.77 0.00 0.00 57.85 57.23 1h1s n ARG 217 Cb 0.07 -1.69 -0.07 0.00 -1.02 0.00 0.00 32.46 29.75 1h1s n ARG 217 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1h1s n THR 218 N -1.90 1.51 1.21 0.55 -1.04 -0.72 -4.71 114.28 109.18 1h1s n THR 218 Ca 0.04 -0.19 0.13 0.00 -2.04 0.00 0.00 64.05 61.98 1h1s n THR 218 Cb 0.25 -2.05 0.28 0.00 -1.82 0.00 0.00 70.33 66.99 1h1s n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1h1s n LEU 219 N -4.32 1.71 0.00 -4.42 4.77 0.14 -1.08 117.00 113.79 1h1s n LEU 219 Ca -0.40 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 1h1s n LEU 219 Cb 0.75 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1h1s n LEU 219 CO 0.10 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1h1s n GLY 220 N 1.32 -0.01 3.71 -0.72 0.00 0.77 -4.42 105.19 105.84 1h1s n GLY 220 Ca 0.13 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 1h1s n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h1s s THR 221 N -0.85 2.49 0.48 2.61 2.01 -0.28 -4.66 115.64 117.44 1h1s s THR 221 Ca 0.00 0.25 -0.20 0.00 0.31 0.00 0.00 61.69 62.05 1h1s s THR 221 Cb 0.00 -3.16 -0.09 0.00 0.01 0.00 0.00 72.50 69.26 1h1s s THR 221 CO 0.00 0.01 1.01 -2.16 -0.69 0.00 0.00 174.62 172.79 1h1s s PRO 222 N 1.70 3.90 0.33 4.92 0.04 -1.26 -4.80 135.00 139.83 1h1s s PRO 222 Ca 0.74 1.26 0.05 0.00 0.04 0.00 0.00 61.00 63.08 1h1s s PRO 222 Cb -0.45 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.94 1h1s s PRO 222 CO 0.33 -0.33 0.20 0.16 0.04 0.00 0.00 177.00 177.39 1h1s s ASP 223 N -2.16 1.76 0.02 6.66 1.47 -1.26 -4.97 116.67 118.19 1h1s s ASP 223 Ca 0.65 -1.66 0.02 0.00 1.18 0.00 0.00 52.55 52.74 1h1s s ASP 223 Cb -0.14 0.49 0.08 0.00 -0.34 0.00 0.00 42.92 43.01 1h1s s ASP 223 CO 0.20 -0.97 1.05 -0.62 0.68 0.00 0.00 175.17 175.50 1h1s n GLU 224 N -0.65 0.01 -0.00 2.11 -0.58 -1.26 0.12 120.64 120.39 1h1s n GLU 224 Ca 0.02 0.51 -0.17 0.00 -0.42 0.00 0.00 57.16 57.10 1h1s n GLU 224 Cb 0.64 -1.54 -0.14 0.00 -0.57 0.00 0.00 31.44 29.83 1h1s n GLU 224 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1h1s n VAL 225 N -1.55 1.73 0.07 2.62 0.31 -1.26 -2.82 118.33 117.43 1h1s n VAL 225 Ca -0.00 -0.70 -0.14 0.00 -0.01 0.00 0.00 64.34 63.49 1h1s n VAL 225 Cb 0.00 -1.51 -0.14 0.00 -0.91 0.00 0.00 33.84 31.29 1h1s n VAL 225 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 1h1s h VAL 226 N 0.05 1.41 -2.03 2.52 3.04 -1.19 -3.42 116.25 116.63 1h1s h VAL 226 Ca -0.38 -3.05 -0.47 0.00 -1.01 0.00 0.00 66.70 61.79 1h1s h VAL 226 Cb 2.03 2.84 -0.32 0.00 -2.01 0.00 0.00 31.29 33.82 1h1s h VAL 226 CO 0.08 0.87 -0.83 0.86 -1.01 0.00 0.00 177.57 177.54 1h1s s TRP 227 N -2.65 0.30 -0.11 3.17 -0.00 0.32 -4.46 118.94 115.50 1h1s s TRP 227 Ca -0.04 -1.71 -0.40 0.00 -0.00 0.00 0.00 56.10 53.95 1h1s s TRP 227 Cb 0.08 -0.58 -0.18 0.00 -0.00 0.00 0.00 33.47 32.78 1h1s s TRP 227 CO 0.86 -0.94 1.37 -2.30 -0.00 0.00 0.00 176.95 175.93 1h1s n PRO 228 N 3.14 0.55 -0.14 5.86 -0.02 -1.13 -0.05 135.00 143.20 1h1s n PRO 228 Ca 0.24 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1h1s n PRO 228 Cb 0.48 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1h1s n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h1s n GLY 229 N 2.74 1.80 0.37 -1.23 0.00 -1.26 -4.95 105.19 102.65 1h1s n GLY 229 Ca 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 1h1s n GLY 229 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1h1s h VAL 230 N 0.00 0.20 0.00 1.61 2.07 -0.80 -1.52 116.25 117.81 1h1s h VAL 230 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1h1s h VAL 230 Cb 0.00 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1h1s h VAL 230 CO 0.00 0.00 0.00 0.35 0.02 0.00 0.00 177.57 177.94 1h1s n THR 231 N -5.43 0.13 0.79 2.57 -2.24 -1.26 0.12 114.28 108.96 1h1s n THR 231 Ca -0.03 0.03 0.09 0.00 -2.27 0.00 0.00 64.05 61.88 1h1s n THR 231 Cb 0.35 -0.81 0.07 0.00 -2.10 0.00 0.00 70.33 67.84 1h1s n THR 231 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1h1s n SER 232 N -1.06 2.51 -4.78 3.42 7.64 -0.58 -4.93 113.62 115.84 1h1s n SER 232 Ca 0.10 -1.76 -0.33 0.00 1.01 0.00 0.00 58.87 57.90 1h1s n SER 232 Cb 0.06 0.04 0.05 0.00 -1.01 0.00 0.00 64.21 63.35 1h1s n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1h1s s MET 233 N -1.63 2.83 0.26 1.43 -1.94 0.32 -4.99 119.30 115.58 1h1s s MET 233 Ca 0.22 1.29 -0.04 0.00 -1.71 0.00 0.00 55.69 55.45 1h1s s MET 233 Cb 0.16 -1.96 0.33 0.00 2.01 0.00 0.00 34.83 35.37 1h1s s MET 233 CO 0.26 -1.21 1.85 -1.35 -0.01 0.00 0.00 175.02 174.56 1h1s h PRO 234 N -0.10 1.04 -0.43 2.03 0.11 -1.82 -2.88 132.00 129.95 1h1s h PRO 234 Ca -0.46 -0.15 -0.13 0.00 0.11 0.00 0.00 66.00 65.36 1h1s h PRO 234 Cb 1.24 -0.19 -0.08 0.00 0.11 0.00 0.00 31.00 32.08 1h1s h PRO 234 CO 0.54 0.82 0.07 -0.25 -0.21 0.00 0.00 178.00 178.97 1h1s n ASP 235 N -4.32 3.62 -4.77 -2.05 8.00 0.67 -4.97 116.55 112.75 1h1s n ASP 235 Ca 0.07 -3.34 -0.38 0.00 0.71 0.00 0.00 54.79 51.84 1h1s n ASP 235 Cb 0.15 -0.63 -0.06 0.00 -0.02 0.00 0.00 41.12 40.56 1h1s n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1h1s s TYR 236 N -3.03 3.70 -0.04 1.24 6.14 -1.09 -4.92 117.35 119.35 1h1s s TYR 236 Ca 0.47 1.79 0.03 0.00 0.64 0.00 0.00 57.07 59.99 1h1s s TYR 236 Cb 0.39 -3.04 0.00 0.00 0.42 0.00 0.00 41.96 39.73 1h1s s TYR 236 CO 0.07 0.01 -0.12 0.15 0.64 0.00 0.00 175.55 176.30 1h1s s LYS 237 N -1.74 1.35 0.00 4.97 -0.14 -1.26 -4.96 119.74 117.95 1h1s s LYS 237 Ca 0.47 -0.43 0.12 0.00 -1.36 0.00 0.00 55.97 54.78 1h1s s LYS 237 Cb -0.24 -1.20 0.53 0.00 -1.68 0.00 0.00 37.83 35.24 1h1s s LYS 237 CO 0.30 0.15 1.38 -0.35 -0.76 0.00 0.00 175.35 176.06 1h1s n PRO 238 N 3.32 0.02 0.00 -1.68 -0.04 -1.26 -1.91 135.00 133.45 1h1s n PRO 238 Ca -0.19 0.28 0.14 0.00 -0.04 0.00 0.00 63.50 63.69 1h1s n PRO 238 Cb 0.53 -1.50 0.57 0.00 -0.04 0.00 0.00 33.50 33.07 1h1s n PRO 238 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1h1s n SER 239 N -1.48 0.80 -4.64 3.54 3.41 -1.26 -4.89 113.62 109.10 1h1s n SER 239 Ca 0.03 -0.92 -0.48 0.00 -0.26 0.00 0.00 58.87 57.24 1h1s n SER 239 Cb 0.14 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.04 1h1s n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1h1s n PHE 240 N -0.61 1.97 -1.60 7.33 3.72 -0.80 -4.91 117.46 122.56 1h1s n PHE 240 Ca 0.16 0.42 -0.40 0.00 -0.05 0.00 0.00 57.45 57.59 1h1s n PHE 240 Cb 0.29 -2.45 0.03 0.00 -0.94 0.00 0.00 39.48 36.41 1h1s n PHE 240 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1h1s n PRO 241 N 2.94 1.15 -3.51 -1.08 -0.02 -1.26 -4.93 135.00 128.30 1h1s n PRO 241 Ca 0.17 0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 1h1s n PRO 241 Cb 0.25 -2.06 -0.10 0.00 -0.02 0.00 0.00 33.50 31.57 1h1s n PRO 241 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1h1s s LYS 242 N -2.26 2.91 0.26 -0.52 1.02 -1.26 -4.82 119.74 115.07 1h1s s LYS 242 Ca 0.68 -1.05 0.05 0.00 0.02 0.00 0.00 55.97 55.67 1h1s s LYS 242 Cb -0.50 -3.89 -0.02 0.00 -0.52 0.00 0.00 37.83 32.89 1h1s s LYS 242 CO 0.54 -0.74 0.39 -1.58 -0.92 0.00 0.00 175.35 173.03 1h1s s TRP 243 N 1.63 3.37 0.26 3.18 0.51 -1.26 -4.90 118.94 121.72 1h1s s TRP 243 Ca 0.04 -0.07 -0.10 0.00 -2.12 0.00 0.00 56.10 53.85 1h1s s TRP 243 Cb -0.19 -1.68 -0.07 0.00 -0.81 0.00 0.00 33.47 30.72 1h1s s TRP 243 CO 0.09 0.33 0.58 0.00 -0.51 0.00 0.00 176.95 177.43 1h1s s ALA 244 N -2.03 3.53 0.31 0.98 0.00 -1.26 -1.13 121.76 122.16 1h1s s ALA 244 Ca 0.37 -0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.78 1h1s s ALA 244 Cb -0.09 -2.47 -0.10 0.00 0.00 0.00 0.00 23.12 20.46 1h1s s ALA 244 CO 0.30 0.43 1.15 0.50 0.00 0.00 0.00 175.76 178.14 1h1s s ARG 245 N -2.97 4.49 0.21 0.00 3.52 -1.26 -4.03 118.95 118.89 1h1s s ARG 245 Ca 0.48 1.89 -0.04 0.00 -0.13 0.00 0.00 55.73 57.93 1h1s s ARG 245 Cb -0.11 -3.07 -0.05 0.00 -1.56 0.00 0.00 34.95 30.16 1h1s s ARG 245 CO 0.22 0.04 0.44 -0.65 -0.81 0.00 0.00 175.30 174.55 1h1s s GLN 246 N -1.67 3.61 -0.24 5.12 -0.21 -0.24 -4.88 119.66 121.14 1h1s s GLN 246 Ca 0.48 -0.11 -0.29 0.00 0.02 0.00 0.00 55.36 55.45 1h1s s GLN 246 Cb -0.33 -2.77 -0.04 0.00 1.00 0.00 0.00 33.01 30.87 1h1s s GLN 246 CO 0.43 0.37 1.89 0.34 -2.12 0.00 0.00 175.29 176.19 1h1s s ASP 247 N -2.85 5.94 0.51 5.90 3.68 -1.26 -4.86 116.67 123.72 1h1s s ASP 247 Ca 0.41 1.67 0.39 0.00 2.13 0.00 0.00 52.55 57.16 1h1s s ASP 247 Cb -0.11 -2.52 1.57 0.00 -1.45 0.00 0.00 42.92 40.40 1h1s s ASP 247 CO 0.27 -1.61 1.64 -0.26 0.13 0.00 0.00 175.17 175.35 1h1s h PHE 248 N 12.75 0.21 0.00 -5.34 -1.00 -1.96 1.48 116.94 123.07 1h1s h PHE 248 Ca -0.37 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.42 1h1s h PHE 248 Cb 1.19 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.70 1h1s h PHE 248 CO 0.94 -0.07 0.00 -1.13 -1.61 0.00 0.00 178.31 176.44 1h1s n SER 249 N -4.28 0.08 -0.05 2.17 3.41 -1.26 -0.82 113.62 112.86 1h1s n SER 249 Ca 0.38 0.53 -0.01 0.00 -0.26 0.00 0.00 58.87 59.50 1h1s n SER 249 Cb 1.62 -0.54 -0.13 0.00 -0.26 0.00 0.00 64.21 64.90 1h1s n SER 249 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1h1s n LYS 250 N -1.60 1.02 -0.07 4.33 4.76 0.50 -3.67 118.16 123.44 1h1s n LYS 250 Ca 0.01 -0.07 -0.11 0.00 -2.87 0.00 0.00 58.31 55.27 1h1s n LYS 250 Cb 0.05 -1.42 -0.05 0.00 -1.84 0.00 0.00 35.03 31.78 1h1s n LYS 250 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1h1s h VAL 251 N 0.00 1.24 -2.57 -0.18 2.07 -0.82 -3.37 116.25 112.61 1h1s h VAL 251 Ca -0.27 -0.79 -0.59 0.00 0.82 0.00 0.00 66.70 65.87 1h1s h VAL 251 Cb 1.53 1.36 -0.39 0.00 -1.52 0.00 0.00 31.29 32.28 1h1s h VAL 251 CO 0.01 0.24 -0.88 -0.69 0.02 0.00 0.00 177.57 176.28 1h1s s VAL 252 N -5.10 0.59 0.16 2.57 1.01 -0.04 -5.02 120.40 114.58 1h1s s VAL 252 Ca -0.14 -2.45 -0.26 0.00 0.00 0.00 0.00 61.98 59.14 1h1s s VAL 252 Cb 0.07 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 35.05 1h1s s VAL 252 CO 0.73 -1.10 1.58 -0.65 0.00 0.00 0.00 175.10 175.66 1h1s h PRO 253 N 6.21 -0.29 0.00 2.72 0.11 -1.74 -3.01 132.00 136.00 1h1s h PRO 253 Ca 0.16 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1h1s h PRO 253 Cb 0.92 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1h1s h PRO 253 CO 0.37 -0.19 0.00 -2.30 -0.21 0.00 0.00 178.00 175.67 1h1s n PRO 254 N -5.42 0.30 -2.92 1.05 -0.02 -1.26 -4.79 135.00 121.95 1h1s n PRO 254 Ca 0.00 0.07 -0.41 0.00 -2.02 0.00 0.00 63.50 61.14 1h1s n PRO 254 Cb 0.35 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.29 1h1s n PRO 254 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1h1s s LEU 255 N -2.23 4.15 0.00 2.45 2.96 -1.14 -5.07 118.68 119.80 1h1s s LEU 255 Ca 0.16 1.10 -0.07 0.00 -0.22 0.00 0.00 54.13 55.10 1h1s s LEU 255 Cb 0.08 -3.18 0.11 0.00 0.50 0.00 0.00 46.19 43.71 1h1s s LEU 255 CO 0.16 -0.41 0.26 -0.90 -1.32 0.00 0.00 176.35 174.14 1h1s n ASP 256 N 5.36 -2.39 -0.07 3.68 5.75 -1.26 -4.56 116.55 123.07 1h1s n ASP 256 Ca 0.04 -0.26 -0.12 0.00 -0.01 0.00 0.00 54.79 54.44 1h1s n ASP 256 Cb 0.49 -0.54 -0.06 0.00 -1.03 0.00 0.00 41.12 39.98 1h1s n ASP 256 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1h1s h GLU 257 N 0.00 0.43 0.09 0.11 4.81 -1.98 -1.58 114.58 116.46 1h1s h GLU 257 Ca -0.12 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1h1s h GLU 257 Cb 0.39 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1h1s h GLU 257 CO 0.07 0.72 -0.13 -0.44 -0.73 0.00 0.00 179.01 178.50 1h1s h ASP 258 N 0.13 -0.35 -0.62 1.04 3.32 -1.98 0.12 116.42 118.07 1h1s h ASP 258 Ca 0.05 0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.21 1h1s h ASP 258 Cb 0.59 0.13 -0.06 0.00 0.22 0.00 0.00 39.33 40.21 1h1s h ASP 258 CO 0.03 -0.19 0.30 1.23 -1.72 0.00 0.00 179.24 178.89 1h1s h GLY 259 N -0.26 0.89 2.00 2.75 0.00 -1.88 -0.08 103.07 106.49 1h1s h GLY 259 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1h1s h GLY 259 CO -0.06 0.07 0.00 3.21 0.00 0.00 0.00 176.54 179.76 1h1s h ARG 260 N 0.54 0.00 0.12 4.80 3.08 -0.87 -2.48 114.38 119.57 1h1s h ARG 260 Ca 0.29 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 1h1s h ARG 260 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1h1s h ARG 260 CO -0.23 0.00 -0.06 1.03 -1.07 0.00 0.00 179.97 179.64 1h1s h SER 261 N 0.00 -0.14 0.30 7.04 0.87 0.99 -2.68 113.55 119.93 1h1s h SER 261 Ca 0.00 -0.43 -0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1h1s h SER 261 Cb 0.66 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 1h1s h SER 261 CO 0.00 0.46 -0.27 0.25 -0.53 0.00 0.00 176.83 176.74 1h1s h LEU 262 N -0.84 -0.71 -0.77 2.23 5.85 -1.22 -2.51 115.31 117.35 1h1s h LEU 262 Ca -0.02 0.06 0.15 0.00 0.84 0.00 0.00 57.88 58.91 1h1s h LEU 262 Cb 0.55 0.24 -0.10 0.00 0.37 0.00 0.00 40.66 41.72 1h1s h LEU 262 CO 0.03 -0.39 0.30 0.25 -0.34 0.00 0.00 178.44 178.28 1h1s h LEU 263 N -0.59 0.27 -1.24 2.25 5.85 -1.55 0.13 115.31 120.43 1h1s h LEU 263 Ca -0.02 0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.90 1h1s h LEU 263 Cb 0.53 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 1h1s h LEU 263 CO -0.04 0.09 0.56 0.77 -0.34 0.00 0.00 178.44 179.48 1h1s h SER 264 N 0.43 0.78 -0.08 1.25 4.64 -1.11 -1.95 113.55 117.52 1h1s h SER 264 Ca 0.43 0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.56 1h1s h SER 264 Cb 0.67 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1h1s h SER 264 CO -0.42 0.48 -0.72 1.56 -0.87 0.00 0.00 176.83 176.85 1h1s h GLN 265 N 0.87 0.72 0.00 4.77 4.20 -0.41 -2.79 115.11 122.46 1h1s h GLN 265 Ca 0.39 -0.56 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1h1s h GLN 265 Cb 0.35 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 1h1s h GLN 265 CO -0.15 1.17 -0.02 0.52 -0.67 0.00 0.00 178.83 179.68 1h1s h MET 266 N 0.50 0.00 -0.36 1.46 2.86 -0.46 -2.58 114.93 116.36 1h1s h MET 266 Ca -0.04 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 1h1s h MET 266 Cb 1.33 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.94 1h1s h MET 266 CO 0.15 0.02 0.02 1.28 1.06 0.00 0.00 176.91 179.43 1h1s n LEU 267 N -3.12 4.26 -4.74 1.22 4.77 -0.79 -3.87 117.00 114.73 1h1s n LEU 267 Ca -0.00 -3.31 -0.41 0.00 -0.03 0.00 0.00 56.01 52.25 1h1s n LEU 267 Cb 0.27 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 1h1s n LEU 267 CO 0.27 0.90 1.03 -2.28 -1.33 0.00 0.00 177.39 175.97 1h1s s HIS 268 N -3.01 3.15 0.04 -1.77 2.46 -1.02 -4.95 115.29 110.19 1h1s s HIS 268 Ca 0.45 1.15 -0.26 0.00 0.47 0.00 0.00 55.06 56.87 1h1s s HIS 268 Cb 0.38 -3.70 -0.17 0.00 -0.13 0.00 0.00 32.58 28.96 1h1s s HIS 268 CO 0.06 -2.20 1.49 1.88 -2.47 0.00 0.00 174.74 173.51 1h1s h TYR 269 N 5.10 -0.26 -2.25 3.88 0.05 -1.90 -3.41 116.97 118.18 1h1s h TYR 269 Ca -0.45 -0.01 -0.58 0.00 0.05 0.00 0.00 58.73 57.74 1h1s h TYR 269 Cb 1.22 0.09 -0.01 0.00 1.01 0.00 0.00 36.73 39.04 1h1s h TYR 269 CO 0.61 -0.03 1.38 0.34 -1.05 0.00 0.00 178.16 179.41 1h1s s ASP 270 N -5.10 5.76 0.29 3.88 -1.08 -1.26 -4.86 116.67 114.30 1h1s s ASP 270 Ca -0.15 1.86 0.03 0.00 -0.52 0.00 0.00 52.55 53.77 1h1s s ASP 270 Cb 0.04 -2.52 0.64 0.00 -1.46 0.00 0.00 42.92 39.62 1h1s s ASP 270 CO 0.62 -1.72 1.80 -0.65 0.52 0.00 0.00 175.17 175.74 1h1s h PRO 271 N 13.63 0.84 -0.03 4.34 0.11 -1.95 0.24 132.00 149.19 1h1s h PRO 271 Ca -0.40 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 1h1s h PRO 271 Cb 1.22 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1h1s h PRO 271 CO 0.97 0.56 -0.17 -0.91 -0.21 0.00 0.00 178.00 178.24 1h1s h ASN 272 N 0.87 0.04 0.78 -2.05 2.35 -1.95 -2.51 115.58 113.10 1h1s h ASN 272 Ca 0.53 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 56.20 1h1s h ASN 272 Cb 0.69 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 1h1s h ASN 272 CO -0.33 0.21 -1.28 0.29 -1.65 0.00 0.00 177.43 174.67 1h1s n LYS 273 N -4.32 0.62 -1.62 0.81 4.76 -0.49 -4.89 118.16 113.03 1h1s n LYS 273 Ca -0.02 0.14 -0.44 0.00 -2.87 0.00 0.00 58.31 55.13 1h1s n LYS 273 Cb 0.25 -1.79 -0.01 0.00 -1.84 0.00 0.00 35.03 31.63 1h1s n LYS 273 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1h1s n ARG 274 N -2.75 1.57 -2.40 1.97 0.63 0.74 -4.84 116.66 111.58 1h1s n ARG 274 Ca -0.05 0.55 -0.40 0.00 -0.92 0.00 0.00 57.85 57.02 1h1s n ARG 274 Cb 0.69 -1.99 -0.04 0.00 0.45 0.00 0.00 32.46 31.57 1h1s n ARG 274 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1h1s s ILE 275 N -1.09 3.38 0.60 5.15 2.07 -1.00 -4.99 121.20 125.32 1h1s s ILE 275 Ca 0.58 1.35 -0.14 0.00 -1.41 0.00 0.00 60.65 61.03 1h1s s ILE 275 Cb -0.65 -3.86 -0.04 0.00 0.13 0.00 0.00 42.46 38.04 1h1s s ILE 275 CO 0.60 0.30 1.03 -0.94 -1.91 0.00 0.00 174.94 174.03 1h1s s SER 276 N -0.65 5.98 0.25 4.50 1.04 -1.26 -4.85 113.70 118.72 1h1s s SER 276 Ca 0.46 1.66 -0.04 0.00 0.48 0.00 0.00 55.95 58.51 1h1s s SER 276 Cb -0.33 -2.51 0.35 0.00 0.10 0.00 0.00 66.02 63.63 1h1s s SER 276 CO 0.42 -1.03 1.88 0.00 0.98 0.00 0.00 173.24 175.49 1h1s h ALA 277 N 0.23 1.30 0.35 5.32 0.00 -1.94 -2.54 119.26 121.98 1h1s h ALA 277 Ca -0.46 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1h1s h ALA 277 Cb 1.20 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1h1s h ALA 277 CO 0.59 0.44 -0.20 -0.22 0.00 0.00 0.00 179.25 179.86 1h1s h LYS 278 N 1.15 -0.50 0.00 0.00 3.64 -1.93 -2.62 116.57 116.31 1h1s h LYS 278 Ca 0.40 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.78 1h1s h LYS 278 Cb 0.10 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1h1s h LYS 278 CO -0.15 -0.34 -0.16 0.00 -2.27 0.00 0.00 179.45 176.53 1h1s h ALA 279 N 0.11 1.54 0.00 5.00 0.00 -1.92 -1.67 119.26 122.32 1h1s h ALA 279 Ca -0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1h1s h ALA 279 Cb 0.42 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1h1s h ALA 279 CO 0.05 0.20 -0.02 0.00 0.00 0.00 0.00 179.25 179.48 1h1s h ALA 280 N 1.84 1.01 0.00 0.00 0.00 -1.24 -3.14 119.26 117.72 1h1s h ALA 280 Ca -0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1h1s h ALA 280 Cb 0.32 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1h1s h ALA 280 CO 0.02 0.03 -0.41 -0.07 0.00 0.00 0.00 179.25 178.81 1h1s h LEU 281 N 0.00 0.00 -2.95 0.00 3.38 -0.93 -3.05 115.31 111.76 1h1s h LEU 281 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h1s h LEU 281 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1h1s h LEU 281 CO 0.00 0.41 0.00 0.00 0.09 0.00 0.00 178.44 178.95 1h1s n ALA 282 N -2.34 3.46 -2.05 1.53 0.00 -1.19 -4.85 120.51 115.06 1h1s n ALA 282 Ca -0.01 -1.48 -0.37 0.00 0.00 0.00 0.00 53.44 51.58 1h1s n ALA 282 Cb 0.51 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.81 1h1s n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1h1s s HIS 283 N -2.25 3.73 0.52 0.00 5.04 -1.16 -4.97 115.29 116.20 1h1s s HIS 283 Ca 0.44 1.48 0.35 0.00 -1.54 0.00 0.00 55.06 55.79 1h1s s HIS 283 Cb 0.32 -2.68 1.51 0.00 0.04 0.00 0.00 32.58 31.77 1h1s s HIS 283 CO 0.15 0.39 1.77 -1.35 -2.34 0.00 0.00 174.74 173.36 1h1s h PRO 284 N 3.71 0.05 -0.93 2.88 0.10 -1.92 0.36 132.00 136.25 1h1s h PRO 284 Ca -0.48 -0.00 0.21 0.00 0.10 0.00 0.00 66.00 65.83 1h1s h PRO 284 Cb 1.20 -0.01 -0.07 0.00 0.10 0.00 0.00 31.00 32.21 1h1s h PRO 284 CO 0.65 0.03 0.61 0.35 0.10 0.00 0.00 178.00 179.75 1h1s h PHE 285 N 0.05 0.58 -0.02 0.65 3.57 -1.93 -1.55 116.94 118.28 1h1s h PHE 285 Ca 0.61 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.13 1h1s h PHE 285 Cb 2.33 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.89 1h1s h PHE 285 CO -0.00 0.14 0.00 1.19 -2.23 0.00 0.00 178.31 177.41 1h1s n PHE 286 N -4.53 0.03 -0.29 0.41 3.72 0.12 -4.26 117.46 112.65 1h1s n PHE 286 Ca 0.20 -0.01 -0.04 0.00 -0.05 0.00 0.00 57.45 57.55 1h1s n PHE 286 Cb 0.72 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.32 1h1s n PHE 286 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1h1s h GLN 287 N 0.66 1.05 -0.61 -1.08 3.07 -1.44 -1.85 115.11 114.91 1h1s h GLN 287 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 58.65 58.66 1h1s h GLN 287 Cb 0.14 -0.23 0.00 0.00 0.08 0.00 0.00 27.48 27.47 1h1s h GLN 287 CO 0.00 0.72 0.00 -0.40 0.09 0.00 0.00 178.83 179.24 1h1s n ASP 288 N -4.51 5.35 -4.69 0.06 5.68 -1.26 -4.98 116.55 112.19 1h1s n ASP 288 Ca 0.08 -2.77 -0.44 0.00 -0.50 0.00 0.00 54.79 51.16 1h1s n ASP 288 Cb 0.04 -0.65 -0.04 0.00 -1.14 0.00 0.00 41.12 39.33 1h1s n ASP 288 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1h1s n VAL 289 N 0.76 0.03 -4.36 2.12 3.14 -0.70 -4.99 118.33 114.33 1h1s n VAL 289 Ca 0.27 -0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.46 1h1s n VAL 289 Cb 1.09 -1.77 -0.05 0.00 -1.06 0.00 0.00 33.84 32.06 1h1s n VAL 289 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1h1s n THR 290 N 3.74 0.00 -3.58 1.55 -2.24 -1.26 -5.08 114.28 107.42 1h1s n THR 290 Ca 0.17 -1.61 -0.28 0.00 -2.27 0.00 0.00 64.05 60.05 1h1s n THR 290 Cb 0.32 0.55 -0.11 0.00 -2.10 0.00 0.00 70.33 68.98 1h1s n THR 290 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1h1s s LYS 291 N -3.08 1.25 0.85 -0.78 2.20 -1.26 -4.30 119.74 114.61 1h1s s LYS 291 Ca 0.12 -2.21 -0.11 0.00 -0.36 0.00 0.00 55.97 53.42 1h1s s LYS 291 Cb 0.01 -2.01 0.10 0.00 -1.51 0.00 0.00 37.83 34.42 1h1s s LYS 291 CO 0.09 -1.29 1.11 -2.14 -0.36 0.00 0.00 175.35 172.76 1h1s s PRO 292 N -0.02 1.63 0.18 4.03 0.02 -1.26 -4.93 135.00 134.65 1h1s s PRO 292 Ca 0.25 1.24 -0.08 0.00 0.02 0.00 0.00 61.00 62.44 1h1s s PRO 292 Cb -0.08 -1.82 -0.06 0.00 0.02 0.00 0.00 34.50 32.55 1h1s s PRO 292 CO -0.11 -2.11 0.46 0.08 -0.33 0.00 0.00 177.00 174.99 1h1s s VAL 293 N -2.81 5.04 0.38 3.83 1.01 -1.26 -4.39 120.40 122.21 1h1s s VAL 293 Ca 0.63 0.28 -0.15 0.00 0.00 0.00 0.00 61.98 62.75 1h1s s VAL 293 Cb -0.19 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 1h1s s VAL 293 CO 0.57 0.01 0.80 -2.16 0.00 0.00 0.00 175.10 174.32 1h1s s PRO 294 N -2.67 3.97 -1.31 2.72 0.05 -1.26 -4.91 135.00 131.59 1h1s s PRO 294 Ca 0.43 0.71 -0.18 0.00 0.05 0.00 0.00 61.00 62.01 1h1s s PRO 294 Cb -0.12 -2.35 0.04 0.00 0.05 0.00 0.00 34.50 32.12 1h1s s PRO 294 CO 0.22 0.03 1.86 1.58 0.05 0.00 0.00 177.00 180.75 1h1s n HIS 295 N -0.79 4.17 1.08 0.56 -0.00 -1.26 -4.96 115.22 114.02 1h1s n HIS 295 Ca 0.04 -2.71 0.12 0.00 0.46 0.00 0.00 57.72 55.63 1h1s n HIS 295 Cb 0.54 -2.59 0.17 0.00 -0.12 0.00 0.00 29.99 27.98 1h1s n HIS 295 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08