#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a1s s VAL 2 N 0.00 0.17 0.38 3.34 1.01 -1.26 -5.08 120.40 118.96 1a1s s VAL 2 Ca 0.00 -1.42 -0.25 0.00 0.00 0.00 0.00 61.98 60.31 1a1s s VAL 2 Cb 0.00 -1.36 -0.09 0.00 0.00 0.00 0.00 36.38 34.93 1a1s s VAL 2 CO 0.00 -0.79 1.03 -0.55 0.00 0.00 0.00 175.10 174.80 1a1s s SER 3 N -2.79 6.90 -0.05 3.32 0.15 -1.26 -4.92 113.70 115.04 1a1s s SER 3 Ca 0.05 2.01 0.08 0.00 0.70 0.00 0.00 55.95 58.78 1a1s s SER 3 Cb 0.05 -2.59 0.12 0.00 -1.71 0.00 0.00 66.02 61.89 1a1s s SER 3 CO -0.10 -0.39 1.00 0.18 1.20 0.00 0.00 173.24 175.12 1a1s n LEU 4 N 0.11 1.31 -4.70 3.45 4.77 -1.26 -5.04 117.00 115.65 1a1s n LEU 4 Ca 0.04 -1.89 -0.53 0.00 -0.03 0.00 0.00 56.01 53.59 1a1s n LEU 4 Cb 0.49 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 1a1s n LEU 4 CO 0.45 0.45 1.41 0.00 -1.33 0.00 0.00 177.39 178.37 1a1s n ALA 5 N -0.67 0.30 -0.38 -1.18 0.00 -1.22 -1.08 120.51 116.28 1a1s n ALA 5 Ca 0.06 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1a1s n ALA 5 Cb 0.57 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1a1s n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a1s n GLY 6 N 4.34 1.98 3.72 0.00 0.00 -0.75 -5.02 105.19 109.46 1a1s n GLY 6 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 1a1s n GLY 6 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a1s s ARG 7 N -0.10 1.41 0.26 1.61 1.81 -0.24 -4.49 118.95 119.21 1a1s s ARG 7 Ca 0.00 0.92 0.08 0.00 -1.72 0.00 0.00 55.73 55.02 1a1s s ARG 7 Cb 0.00 -1.82 -0.04 0.00 -0.45 0.00 0.00 34.95 32.64 1a1s s ARG 7 CO 0.00 -2.17 0.10 -0.51 -0.68 0.00 0.00 175.30 172.05 1a1s s ASP 8 N -3.36 5.02 -0.49 0.23 1.01 -1.26 -4.32 116.67 113.50 1a1s s ASP 8 Ca 0.63 -0.47 0.04 0.00 0.71 0.00 0.00 52.55 53.46 1a1s s ASP 8 Cb -0.18 -1.10 0.16 0.00 1.01 0.00 0.00 42.92 42.81 1a1s s ASP 8 CO 0.57 -0.04 0.36 -0.22 0.21 0.00 0.00 175.17 176.05 1a1s s LEU 9 N -3.77 2.45 -0.20 1.23 2.96 -0.09 -4.90 118.68 116.36 1a1s s LEU 9 Ca 0.33 -3.18 -0.02 0.00 -0.22 0.00 0.00 54.13 51.04 1a1s s LEU 9 Cb -0.07 -0.82 -0.21 0.00 0.50 0.00 0.00 46.19 45.59 1a1s s LEU 9 CO 0.23 -0.17 0.02 0.18 -1.32 0.00 0.00 176.35 175.29 1a1s n LEU 10 N 2.76 2.82 -3.66 -0.68 4.32 -1.26 0.13 117.00 121.44 1a1s n LEU 10 Ca 0.24 0.02 -0.12 0.00 -0.02 0.00 0.00 56.01 56.12 1a1s n LEU 10 Cb 0.42 -1.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.14 1a1s n LEU 10 CO 0.15 0.90 0.31 0.00 -1.22 0.00 0.00 177.39 177.54 1a1s n LEU 12 N 3.28 0.13 0.07 0.00 4.32 -1.26 -2.91 117.00 120.63 1a1s n LEU 12 Ca -0.16 0.53 0.09 0.00 -0.02 0.00 0.00 56.01 56.46 1a1s n LEU 12 Cb 0.56 -0.52 0.40 0.00 -1.62 0.00 0.00 43.42 42.25 1a1s n LEU 12 CO 0.04 -0.34 0.79 1.67 -1.22 0.00 0.00 177.39 178.33 1a1s n GLN 13 N -1.64 0.10 0.04 3.23 -0.06 -1.26 -1.59 117.38 116.20 1a1s n GLN 13 Ca 0.03 0.35 0.13 0.00 -2.00 0.00 0.00 57.00 55.51 1a1s n GLN 13 Cb 0.17 -1.70 0.38 0.00 -4.06 0.00 0.00 30.24 25.03 1a1s n GLN 13 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1a1s n ASP 14 N -1.89 0.48 -4.89 1.69 8.00 -1.15 -4.87 116.55 113.93 1a1s n ASP 14 Ca 0.03 0.27 -0.34 0.00 0.71 0.00 0.00 54.79 55.45 1a1s n ASP 14 Cb 0.19 -0.26 -0.05 0.00 -0.02 0.00 0.00 41.12 40.99 1a1s n ASP 14 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1a1s s TYR 15 N -3.07 3.56 0.65 1.24 1.51 -0.62 -5.10 117.35 115.53 1a1s s TYR 15 Ca 0.11 0.56 -0.07 0.00 -1.01 0.00 0.00 57.07 56.66 1a1s s TYR 15 Cb 0.16 -1.99 0.03 0.00 -0.11 0.00 0.00 41.96 40.05 1a1s s TYR 15 CO 0.63 0.59 0.97 0.95 -1.11 0.00 0.00 175.55 177.58 1a1s s THR 16 N -1.35 3.13 0.37 -0.71 -4.23 -1.26 -4.91 115.64 106.69 1a1s s THR 16 Ca 0.29 -0.02 0.07 0.00 -1.18 0.00 0.00 61.69 60.85 1a1s s THR 16 Cb -0.13 -3.30 0.17 0.00 1.34 0.00 0.00 72.50 70.59 1a1s s THR 16 CO 0.18 -0.32 1.92 0.00 -0.54 0.00 0.00 174.62 175.85 1a1s h ALA 17 N -0.40 1.49 -0.42 3.99 0.00 -1.97 -1.15 119.26 120.79 1a1s h ALA 17 Ca -0.45 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.16 1a1s h ALA 17 Cb 1.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1a1s h ALA 17 CO 0.61 0.37 -0.21 1.49 0.00 0.00 0.00 179.25 181.50 1a1s h GLU 18 N 0.36 0.84 -0.36 0.00 4.81 -1.95 0.15 114.58 118.44 1a1s h GLU 18 Ca 0.08 -0.34 -0.11 0.00 -0.13 0.00 0.00 59.36 58.86 1a1s h GLU 18 Cb 0.30 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1a1s h GLU 18 CO 0.01 0.98 -0.20 0.93 -0.73 0.00 0.00 179.01 180.00 1a1s h GLU 19 N 0.73 0.78 0.00 1.92 5.08 -1.73 0.14 114.58 121.50 1a1s h GLU 19 Ca 0.10 -0.35 -0.08 0.00 -1.00 0.00 0.00 59.36 58.03 1a1s h GLU 19 Cb 0.75 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1a1s h GLU 19 CO 0.06 0.97 -0.39 0.97 -1.00 0.00 0.00 179.01 179.62 1a1s h ILE 20 N 0.57 1.24 -0.10 3.13 6.09 -0.98 -1.99 117.51 125.45 1a1s h ILE 20 Ca 0.08 -1.36 -0.16 0.00 -1.37 0.00 0.00 64.86 62.04 1a1s h ILE 20 Cb 0.75 1.74 -0.01 0.00 0.47 0.00 0.00 36.82 39.77 1a1s h ILE 20 CO 0.06 0.38 -0.62 -0.50 -3.07 0.00 0.00 178.15 174.40 1a1s h TRP 21 N 0.00 0.48 -0.48 2.19 4.06 -0.28 -2.44 115.95 119.48 1a1s h TRP 21 Ca -0.00 -0.19 0.03 0.00 2.06 0.00 0.00 58.89 60.79 1a1s h TRP 21 Cb 0.71 -0.08 -0.04 0.00 -1.00 0.00 0.00 29.16 28.75 1a1s h TRP 21 CO 0.00 0.90 0.25 1.15 -3.56 0.00 0.00 178.44 177.18 1a1s h THR 22 N 0.27 0.99 -0.40 1.49 2.02 0.00 -1.18 112.91 116.10 1a1s h THR 22 Ca -0.01 -0.17 -0.12 0.00 0.77 0.00 0.00 66.41 66.88 1a1s h THR 22 Cb 1.16 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1a1s h THR 22 CO 0.11 0.09 -0.22 -0.29 0.37 0.00 0.00 175.52 175.58 1a1s h ILE 23 N 0.50 1.27 -0.31 3.11 6.09 -1.27 -1.97 117.51 124.92 1a1s h ILE 23 Ca 0.20 -1.33 -0.10 0.00 -1.37 0.00 0.00 64.86 62.26 1a1s h ILE 23 Cb 0.09 1.19 -0.01 0.00 0.47 0.00 0.00 36.82 38.56 1a1s h ILE 23 CO -0.13 0.45 -0.22 -0.07 -3.07 0.00 0.00 178.15 175.11 1a1s h LEU 24 N 0.70 0.60 -0.11 2.19 3.38 -1.00 -0.25 115.31 120.82 1a1s h LEU 24 Ca 0.10 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1a1s h LEU 24 Cb 0.73 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1a1s h LEU 24 CO 0.06 0.82 -0.13 -0.33 0.09 0.00 0.00 178.44 178.95 1a1s h GLU 25 N 0.53 0.28 -0.37 1.13 5.08 -1.09 -0.13 114.58 120.00 1a1s h GLU 25 Ca 0.08 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1a1s h GLU 25 Cb 0.67 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1a1s h GLU 25 CO 0.05 0.71 0.19 1.15 -1.00 0.00 0.00 179.01 180.10 1a1s h THR 26 N -0.14 1.13 -0.35 1.13 2.02 -1.19 -1.13 112.91 114.39 1a1s h THR 26 Ca 0.01 -0.35 -0.10 0.00 0.77 0.00 0.00 66.41 66.74 1a1s h THR 26 Cb 0.66 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1a1s h THR 26 CO 0.03 0.14 -0.18 0.00 0.37 0.00 0.00 175.52 175.88 1a1s h ALA 27 N 1.69 0.50 -0.66 6.16 0.00 -0.85 -1.02 119.26 125.07 1a1s h ALA 27 Ca 0.13 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1a1s h ALA 27 Cb 0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1a1s h ALA 27 CO -0.02 0.44 0.44 -0.22 0.00 0.00 0.00 179.25 179.89 1a1s h LYS 28 N 0.53 0.87 0.18 0.00 3.64 -0.24 -0.12 116.57 121.44 1a1s h LYS 28 Ca 0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1a1s h LYS 28 Cb 0.73 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1a1s h LYS 28 CO 0.05 0.58 -0.17 1.98 -2.27 0.00 0.00 179.45 179.62 1a1s h MET 29 N 0.90 -0.36 -0.16 1.90 4.05 -1.10 -1.05 114.93 119.11 1a1s h MET 29 Ca 0.24 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.68 1a1s h MET 29 Cb -0.10 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 1a1s h MET 29 CO -0.05 -0.24 0.07 0.74 0.23 0.00 0.00 176.91 177.65 1a1s h PHE 30 N -0.37 0.21 -0.33 1.39 0.04 -0.82 -0.97 116.94 116.09 1a1s h PHE 30 Ca -0.00 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1a1s h PHE 30 Cb 0.35 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 1a1s h PHE 30 CO -0.13 0.17 -0.16 -0.22 -0.60 0.00 0.00 178.31 177.37 1a1s h LYS 31 N 0.22 0.69 -0.08 1.51 3.64 -0.39 -1.44 116.57 120.72 1a1s h LYS 31 Ca 0.06 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 1a1s h LYS 31 Cb 0.05 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1a1s h LYS 31 CO -0.01 0.90 0.02 0.82 -2.27 0.00 0.00 179.45 178.91 1a1s h ILE 32 N 0.45 1.18 -0.63 2.00 2.04 -0.57 -1.31 117.51 120.67 1a1s h ILE 32 Ca 0.07 -0.54 0.10 0.00 1.00 0.00 0.00 64.86 65.50 1a1s h ILE 32 Cb 0.69 1.39 -0.12 0.00 -0.74 0.00 0.00 36.82 38.04 1a1s h ILE 32 CO 0.05 0.15 -0.38 -0.50 0.00 0.00 0.00 178.15 177.47 1a1s h TRP 33 N -0.06 -1.08 -0.70 1.37 -0.00 -1.15 0.61 115.95 114.93 1a1s h TRP 33 Ca 0.03 0.08 0.04 0.00 -0.00 0.00 0.00 58.89 59.03 1a1s h TRP 33 Cb 0.22 0.57 -0.04 0.00 -0.00 0.00 0.00 29.16 29.91 1a1s h TRP 33 CO -0.00 -0.40 0.46 0.37 -0.00 0.00 0.00 178.44 178.87 1a1s h GLN 34 N -0.17 0.81 0.00 0.49 -0.00 -1.00 -0.39 115.11 114.86 1a1s h GLN 34 Ca 0.22 -0.05 -0.11 0.00 -0.00 0.00 0.00 58.65 58.72 1a1s h GLN 34 Cb 0.56 -0.18 -0.02 0.00 0.00 0.00 0.00 27.48 27.84 1a1s h GLN 34 CO -0.72 0.54 -0.51 0.87 0.00 0.00 0.00 178.83 179.01 1a1s h LYS 35 N 0.84 0.00 -0.01 1.69 1.79 0.28 -3.03 116.57 118.12 1a1s h LYS 35 Ca 0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 1a1s h LYS 35 Cb 0.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1a1s h LYS 35 CO -0.08 0.51 -0.23 0.44 -1.08 0.00 0.00 179.45 179.01 1a1s n ILE 36 N -3.64 0.00 -1.76 1.86 -5.35 -0.75 -4.97 119.36 104.75 1a1s n ILE 36 Ca -0.01 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 1a1s n ILE 36 Cb 0.58 0.79 0.00 0.00 -1.74 0.00 0.00 39.64 39.27 1a1s n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a1s n GLY 37 N 1.33 0.40 3.61 3.28 0.00 -0.66 -5.02 105.19 108.12 1a1s n GLY 37 Ca 0.13 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 1a1s n GLY 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a1s s LYS 38 N -3.54 4.03 0.81 1.61 2.20 -0.24 -5.01 119.74 119.60 1a1s s LYS 38 Ca 0.00 0.11 -0.12 0.00 -0.36 0.00 0.00 55.97 55.59 1a1s s LYS 38 Cb 0.00 -3.65 0.09 0.00 -1.51 0.00 0.00 37.83 32.75 1a1s s LYS 38 CO 0.00 -0.29 1.16 -2.14 -0.36 0.00 0.00 175.35 173.73 1a1s s PRO 39 N 2.11 1.69 -0.43 4.03 0.02 -1.26 -4.41 135.00 136.75 1a1s s PRO 39 Ca 0.16 1.58 0.06 0.00 0.02 0.00 0.00 61.00 62.83 1a1s s PRO 39 Cb -0.16 -1.80 0.32 0.00 0.02 0.00 0.00 34.50 32.89 1a1s s PRO 39 CO 0.10 -2.13 1.18 -2.39 -0.33 0.00 0.00 177.00 173.43 1a1s n HIS 40 N -3.46 -2.47 -1.12 6.54 1.44 -1.26 -5.03 115.22 109.86 1a1s n HIS 40 Ca 0.12 -1.90 -0.34 0.00 -2.01 0.00 0.00 57.72 53.60 1a1s n HIS 40 Cb 0.51 1.57 -0.03 0.00 0.12 0.00 0.00 29.99 32.17 1a1s n HIS 40 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1a1s n ARG 41 N 0.25 2.50 0.06 -1.40 1.74 -1.26 -4.48 116.66 114.08 1a1s n ARG 41 Ca 0.03 -1.90 0.10 0.00 -0.77 0.00 0.00 57.85 55.30 1a1s n ARG 41 Cb 0.72 -2.76 0.40 0.00 -1.02 0.00 0.00 32.46 29.80 1a1s n ARG 41 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1a1s n LEU 42 N 4.98 0.32 -2.43 0.55 4.77 -1.15 -3.78 117.00 120.26 1a1s n LEU 42 Ca 0.55 0.58 -0.23 0.00 -0.03 0.00 0.00 56.01 56.88 1a1s n LEU 42 Cb 0.25 -0.53 0.01 0.00 -2.33 0.00 0.00 43.42 40.82 1a1s n LEU 42 CO 0.84 -0.38 0.14 0.18 -1.33 0.00 0.00 177.39 176.85 1a1s n LEU 43 N -1.85 4.25 -4.70 2.23 4.77 0.49 -4.97 117.00 117.22 1a1s n LEU 43 Ca 0.03 -4.87 -0.43 0.00 -0.03 0.00 0.00 56.01 50.71 1a1s n LEU 43 Cb 0.21 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1a1s n LEU 43 CO 0.17 2.09 1.06 -0.62 -1.33 0.00 0.00 177.39 178.77 1a1s n GLU 44 N -0.48 2.28 -0.79 3.23 -0.58 -1.22 -1.75 120.64 121.34 1a1s n GLU 44 Ca 0.35 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.90 1a1s n GLU 44 Cb 0.74 -2.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.12 1a1s n GLU 44 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a1s n GLY 45 N 1.79 0.57 3.81 0.62 0.00 -1.15 -4.92 105.19 105.90 1a1s n GLY 45 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1a1s n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a1s s LYS 46 N -0.43 4.29 0.03 1.61 3.01 -0.71 -4.91 119.74 122.62 1a1s s LYS 46 Ca 0.00 1.03 0.06 0.00 -1.01 0.00 0.00 55.97 56.05 1a1s s LYS 46 Cb 0.00 -2.56 -0.02 0.00 -1.01 0.00 0.00 37.83 34.24 1a1s s LYS 46 CO 0.00 0.19 -0.17 0.95 0.51 0.00 0.00 175.35 176.83 1a1s s THR 47 N -1.84 1.34 -0.14 2.17 -4.23 -1.26 -0.12 115.64 111.55 1a1s s THR 47 Ca 0.53 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 60.07 1a1s s THR 47 Cb -0.14 -1.16 0.03 0.00 1.34 0.00 0.00 72.50 72.57 1a1s s THR 47 CO 0.19 0.18 -0.11 -0.22 -0.54 0.00 0.00 174.62 174.11 1a1s s LEU 48 N -0.92 1.57 -0.26 4.79 1.98 0.02 -0.44 118.68 125.42 1a1s s LEU 48 Ca 0.05 -0.48 -0.18 0.00 -2.89 0.00 0.00 54.13 50.63 1a1s s LEU 48 Cb -0.08 -1.05 -0.03 0.00 0.66 0.00 0.00 46.19 45.70 1a1s s LEU 48 CO 0.01 -0.10 0.51 0.00 -1.89 0.00 0.00 176.35 174.88 1a1s s ALA 49 N 1.57 3.59 -0.30 5.97 0.00 -0.79 -0.45 121.76 131.35 1a1s s ALA 49 Ca 0.04 -0.61 -0.11 0.00 0.00 0.00 0.00 51.96 51.28 1a1s s ALA 49 Cb -0.13 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 1a1s s ALA 49 CO -0.09 -0.73 0.18 -1.64 0.00 0.00 0.00 175.76 173.47 1a1s s MET 50 N 2.29 3.67 -0.30 0.00 1.00 -0.35 -0.98 119.30 124.64 1a1s s MET 50 Ca 0.21 -0.51 -0.09 0.00 0.00 0.00 0.00 55.69 55.31 1a1s s MET 50 Cb -0.16 -3.64 -0.01 0.00 0.00 0.00 0.00 34.83 31.02 1a1s s MET 50 CO 0.09 -0.30 0.13 0.42 0.00 0.00 0.00 175.02 175.36 1a1s s ILE 51 N 1.70 4.49 -0.32 2.53 1.01 0.32 -0.13 121.20 130.81 1a1s s ILE 51 Ca 0.06 -0.38 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 1a1s s ILE 51 Cb -0.16 -3.25 0.05 0.00 0.01 0.00 0.00 42.46 39.10 1a1s s ILE 51 CO 0.09 0.13 0.06 -0.36 0.00 0.00 0.00 174.94 174.85 1a1s s PHE 52 N 1.60 3.27 -1.94 3.97 0.08 0.27 -0.19 117.98 125.04 1a1s s PHE 52 Ca 0.05 -1.66 0.27 0.00 0.12 0.00 0.00 56.93 55.71 1a1s s PHE 52 Cb -0.17 -2.22 0.92 0.00 -0.57 0.00 0.00 43.02 40.99 1a1s s PHE 52 CO 0.05 -0.77 1.67 0.94 -0.10 0.00 0.00 175.22 177.01 1a1s n GLN 53 N 4.72 1.03 -3.57 0.44 7.27 0.25 -2.75 117.38 124.77 1a1s n GLN 53 Ca -0.13 -0.57 -0.02 0.00 0.07 0.00 0.00 57.00 56.36 1a1s n GLN 53 Cb 0.44 -1.49 -0.05 0.00 2.41 0.00 0.00 30.24 31.55 1a1s n GLN 53 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1a1s s LYS 54 N -2.36 0.47 0.93 3.69 2.47 -1.26 -4.88 119.74 118.81 1a1s s LYS 54 Ca 0.29 1.03 -0.16 0.00 -1.56 0.00 0.00 55.97 55.57 1a1s s LYS 54 Cb 0.20 0.44 -0.09 0.00 -1.46 0.00 0.00 37.83 36.92 1a1s s LYS 54 CO 0.46 -0.14 -0.33 -2.30 0.16 0.00 0.00 175.35 173.21 1a1s n PRO 55 N 4.73 -0.06 0.00 4.03 -0.02 -1.26 -4.92 135.00 137.50 1a1s n PRO 55 Ca -0.14 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1a1s n PRO 55 Cb 0.54 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 1a1s n PRO 55 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1a1s n SER 56 N 1.84 0.00 -0.04 2.55 2.88 -1.26 -5.08 113.62 114.51 1a1s n SER 56 Ca 0.02 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.46 1a1s n SER 56 Cb 0.54 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.96 1a1s n SER 56 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1a1s h THR 57 N 0.00 1.10 -0.95 2.46 2.02 -1.98 -0.26 112.91 115.29 1a1s h THR 57 Ca 0.00 -0.25 0.12 0.00 0.77 0.00 0.00 66.41 67.05 1a1s h THR 57 Cb 0.00 0.94 -0.08 0.00 -1.74 0.00 0.00 68.15 67.27 1a1s h THR 57 CO 0.00 0.09 0.61 0.03 0.37 0.00 0.00 175.52 176.62 1a1s h ARG 58 N 0.19 0.86 0.04 6.66 -0.00 -1.99 0.22 114.38 120.38 1a1s h ARG 58 Ca 0.06 -0.05 -0.24 0.00 -0.50 0.00 0.00 59.98 59.25 1a1s h ARG 58 Cb 0.06 -0.19 0.02 0.00 0.00 0.00 0.00 29.97 29.85 1a1s h ARG 58 CO -0.01 0.57 -0.95 1.15 0.00 0.00 0.00 179.97 180.73 1a1s h THR 59 N 0.89 1.34 -0.33 2.04 2.02 -1.91 -2.20 112.91 114.75 1a1s h THR 59 Ca 0.47 -2.28 -0.01 0.00 0.77 0.00 0.00 66.41 65.36 1a1s h THR 59 Cb 0.55 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.54 1a1s h THR 59 CO -0.24 0.69 0.16 -0.09 0.37 0.00 0.00 175.52 176.41 1a1s h ARG 60 N 0.16 0.48 0.00 6.66 1.12 0.04 -1.82 114.38 121.01 1a1s h ARG 60 Ca -0.13 -0.07 -0.16 0.00 -1.11 0.00 0.00 59.98 58.51 1a1s h ARG 60 Cb 1.64 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 31.50 1a1s h ARG 60 CO 0.19 0.44 -0.75 -0.39 -3.11 0.00 0.00 179.97 176.34 1a1s h VAL 61 N 0.40 1.39 -0.38 0.20 -1.51 -0.69 -1.78 116.25 113.88 1a1s h VAL 61 Ca 0.11 -2.72 -0.16 0.00 -1.23 0.00 0.00 66.70 62.70 1a1s h VAL 61 Cb 0.12 2.53 -0.01 0.00 -2.13 0.00 0.00 31.29 31.81 1a1s h VAL 61 CO -0.01 0.74 -0.38 0.77 -1.23 0.00 0.00 177.57 177.45 1a1s h SER 62 N 0.00 0.97 -0.09 4.19 4.64 -1.32 0.30 113.55 122.24 1a1s h SER 62 Ca -0.01 -0.44 -0.19 0.00 -0.47 0.00 0.00 61.79 60.68 1a1s h SER 62 Cb 1.47 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1a1s h SER 62 CO 0.10 1.23 -0.66 -0.26 -0.87 0.00 0.00 176.83 176.37 1a1s h PHE 63 N 0.74 0.92 -0.29 4.77 0.04 -1.36 -0.88 116.94 120.88 1a1s h PHE 63 Ca 0.06 -0.37 -0.14 0.00 2.80 0.00 0.00 57.97 60.32 1a1s h PHE 63 Cb 0.97 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.95 1a1s h PHE 63 CO 0.06 1.17 -0.40 1.49 -0.60 0.00 0.00 178.31 180.03 1a1s h GLU 64 N 0.52 0.70 -0.12 1.51 4.81 -1.24 -1.96 114.58 118.80 1a1s h GLU 64 Ca -0.02 -0.36 -0.22 0.00 -0.13 0.00 0.00 59.36 58.62 1a1s h GLU 64 Cb 1.25 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.65 1a1s h GLU 64 CO 0.13 0.98 -0.81 0.28 -0.73 0.00 0.00 179.01 178.86 1a1s h VAL 65 N 0.58 1.29 -0.85 0.32 2.07 -0.94 -2.50 116.25 116.21 1a1s h VAL 65 Ca 0.05 -2.05 0.06 0.00 0.82 0.00 0.00 66.70 65.59 1a1s h VAL 65 Cb 0.94 2.06 -0.06 0.00 -1.52 0.00 0.00 31.29 32.71 1a1s h VAL 65 CO 0.09 0.64 0.53 0.00 0.02 0.00 0.00 177.57 178.84 1a1s h ALA 66 N 0.59 1.18 -0.04 1.67 0.00 -0.94 -0.61 119.26 121.11 1a1s h ALA 66 Ca -0.06 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1a1s h ALA 66 Cb 1.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1a1s h ALA 66 CO 0.16 0.26 -0.68 0.52 0.00 0.00 0.00 179.25 179.51 1a1s h MET 67 N 0.95 0.20 -0.44 0.00 2.07 -1.34 -2.78 114.93 113.60 1a1s h MET 67 Ca 0.38 -0.16 -0.08 0.00 -2.07 0.00 0.00 59.70 57.77 1a1s h MET 67 Cb 0.19 0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 29.94 1a1s h MET 67 CO -0.18 0.81 -0.02 0.00 1.07 0.00 0.00 176.91 178.58 1a1s h ALA 68 N 1.15 0.60 -0.21 6.32 0.00 -0.83 0.52 119.26 126.81 1a1s h ALA 68 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1a1s h ALA 68 Cb 1.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1a1s h ALA 68 CO 0.10 0.41 0.14 0.45 0.00 0.00 0.00 179.25 180.36 1a1s h HIS 69 N 0.64 0.25 -0.14 0.00 3.86 -1.01 -0.55 115.15 118.20 1a1s h HIS 69 Ca 0.12 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1a1s h HIS 69 Cb 0.53 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.91 1a1s h HIS 69 CO 0.04 0.16 0.00 1.28 0.86 0.00 0.00 177.93 180.27 1a1s n LEU 70 N -4.51 1.67 0.00 2.43 4.77 -0.96 -4.08 117.00 116.32 1a1s n LEU 70 Ca 0.00 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1a1s n LEU 70 Cb 0.08 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1a1s n LEU 70 CO 0.35 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1a1s n GLY 71 N 1.14 0.46 0.00 -0.72 0.00 -0.21 -0.38 105.19 105.48 1a1s n GLY 71 Ca 0.17 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1a1s n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a1s n GLY 72 N -2.99 2.66 2.86 -0.02 0.00 0.13 -2.96 105.19 104.87 1a1s n GLY 72 Ca 0.00 -2.06 -0.15 0.00 0.00 0.00 0.00 46.02 43.81 1a1s n GLY 72 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1a1s s HIS 73 N 1.65 -0.14 -0.18 1.61 2.46 0.83 -4.30 115.29 117.22 1a1s s HIS 73 Ca 0.00 0.49 -0.10 0.00 0.47 0.00 0.00 55.06 55.92 1a1s s HIS 73 Cb 0.00 -0.20 -0.05 0.00 -0.13 0.00 0.00 32.58 32.21 1a1s s HIS 73 CO 0.00 -0.20 0.15 0.00 -2.47 0.00 0.00 174.74 172.21 1a1s s ALA 74 N 1.69 3.71 -0.13 1.58 0.00 -1.26 -0.80 121.76 126.56 1a1s s ALA 74 Ca -0.03 -0.66 -0.06 0.00 0.00 0.00 0.00 51.96 51.21 1a1s s ALA 74 Cb -0.12 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1a1s s ALA 74 CO -0.05 0.23 0.09 -0.51 0.00 0.00 0.00 175.76 175.52 1a1s s LEU 75 N 0.12 4.09 -0.44 0.00 1.02 0.40 -4.92 118.68 118.97 1a1s s LEU 75 Ca 0.10 0.31 -0.15 0.00 0.02 0.00 0.00 54.13 54.42 1a1s s LEU 75 Cb -0.11 -1.99 0.05 0.00 0.02 0.00 0.00 46.19 44.15 1a1s s LEU 75 CO -0.00 0.35 0.34 -0.47 0.02 0.00 0.00 176.35 176.58 1a1s s TYR 76 N -0.68 3.25 -0.27 0.29 5.04 -1.26 -1.20 117.35 122.51 1a1s s TYR 76 Ca 0.12 -0.79 -0.13 0.00 -2.44 0.00 0.00 57.07 53.82 1a1s s TYR 76 Cb -0.12 -2.86 -0.04 0.00 0.35 0.00 0.00 41.96 39.29 1a1s s TYR 76 CO 0.02 -0.70 0.31 -0.51 -1.34 0.00 0.00 175.55 173.33 1a1s s LEU 77 N 1.65 4.04 0.00 6.97 2.01 0.81 -4.98 118.68 129.18 1a1s s LEU 77 Ca 0.04 0.20 0.01 0.00 0.01 0.00 0.00 54.13 54.39 1a1s s LEU 77 Cb -0.22 -2.32 0.14 0.00 0.01 0.00 0.00 46.19 43.81 1a1s s LEU 77 CO 0.08 -0.12 0.98 -3.20 1.01 0.00 0.00 176.35 175.10 1a1s n ASN 78 N 5.15 1.49 0.18 2.29 2.85 -1.26 -0.57 115.26 125.39 1a1s n ASN 78 Ca -0.11 -2.22 0.14 0.00 -0.11 0.00 0.00 54.58 52.28 1a1s n ASN 78 Cb 0.51 -0.62 0.44 0.00 1.24 0.00 0.00 39.78 41.35 1a1s n ASN 78 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1a1s h ALA 79 N -0.50 1.00 -0.01 5.20 0.00 -1.72 0.93 119.26 124.16 1a1s h ALA 79 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1a1s h ALA 79 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1a1s h ALA 79 CO 0.36 0.00 -0.21 1.04 0.00 0.00 0.00 179.25 180.44 1a1s n GLN 80 N -2.66 0.68 0.00 0.00 6.02 -1.26 -4.05 117.38 116.12 1a1s n GLN 80 Ca 0.03 -0.33 0.00 0.00 -0.01 0.00 0.00 57.00 56.69 1a1s n GLN 80 Cb 0.38 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1a1s n GLN 80 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1a1s n ASP 81 N -0.87 4.24 -3.51 1.08 8.00 -0.97 -4.97 116.55 119.56 1a1s n ASP 81 Ca 0.12 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.34 1a1s n ASP 81 Cb 0.32 0.13 -0.11 0.00 -0.02 0.00 0.00 41.12 41.43 1a1s n ASP 81 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1a1s s LEU 82 N -4.74 1.84 0.69 0.64 2.96 0.32 -4.97 118.68 115.42 1a1s s LEU 82 Ca 0.00 -2.86 -0.13 0.00 -0.22 0.00 0.00 54.13 50.93 1a1s s LEU 82 Cb 0.00 -0.64 0.01 0.00 0.50 0.00 0.00 46.19 46.06 1a1s s LEU 82 CO 0.00 -0.21 1.08 0.00 -1.32 0.00 0.00 176.35 175.89 1a1s s GLN 83 N 0.21 2.81 -0.03 1.98 1.03 -1.26 -4.39 119.66 120.01 1a1s s GLN 83 Ca 0.26 1.14 -0.03 0.00 0.04 0.00 0.00 55.36 56.78 1a1s s GLN 83 Cb -0.08 -1.97 -0.01 0.00 0.03 0.00 0.00 33.01 30.98 1a1s s GLN 83 CO -0.11 -1.21 -0.05 1.28 -2.54 0.00 0.00 175.29 172.66 1a1s n LEU 84 N -2.87 0.39 -1.09 2.60 4.77 -1.26 -4.56 117.00 114.98 1a1s n LEU 84 Ca 0.09 0.24 -0.02 0.00 -0.03 0.00 0.00 56.01 56.28 1a1s n LEU 84 Cb 0.53 -0.57 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1a1s n LEU 84 CO 0.52 -0.48 0.56 0.54 -1.33 0.00 0.00 177.39 177.20 1a1s n ARG 85 N -2.80 1.16 -0.00 3.23 1.74 -1.26 -4.39 116.66 114.32 1a1s n ARG 85 Ca -0.02 -0.32 -0.00 0.00 -0.77 0.00 0.00 57.85 56.73 1a1s n ARG 85 Cb 0.07 -1.16 -0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1a1s n ARG 85 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1a1s n ARG 86 N 0.30 0.01 0.00 5.56 0.63 -1.26 -4.72 116.66 117.18 1a1s n ARG 86 Ca 0.06 0.01 0.14 0.00 -0.92 0.00 0.00 57.85 57.14 1a1s n ARG 86 Cb 0.60 -0.51 0.62 0.00 0.45 0.00 0.00 32.46 33.62 1a1s n ARG 86 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1a1s n GLY 87 N 1.53 -0.62 3.60 5.14 0.00 -1.26 -4.90 105.19 108.67 1a1s n GLY 87 Ca -0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 1a1s n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a1s s GLU 88 N -2.24 0.48 0.24 1.61 2.12 -1.26 -5.14 118.70 114.51 1a1s s GLU 88 Ca 0.35 0.17 -0.31 0.00 0.36 0.00 0.00 54.97 55.55 1a1s s GLU 88 Cb 0.21 0.23 -0.11 0.00 0.26 0.00 0.00 34.13 34.71 1a1s s GLU 88 CO 0.42 -0.14 1.59 -0.08 -0.54 0.00 0.00 175.26 176.51 1a1s s THR 89 N -0.89 2.26 0.53 -1.70 -1.32 -1.26 -4.34 115.64 108.91 1a1s s THR 89 Ca 0.01 0.21 0.39 0.00 -1.21 0.00 0.00 61.69 61.08 1a1s s THR 89 Cb -0.01 -3.13 0.60 0.00 -1.51 0.00 0.00 72.50 68.44 1a1s s THR 89 CO -0.01 0.03 1.71 0.40 -2.21 0.00 0.00 174.62 174.53 1a1s h ILE 90 N 3.64 0.26 -0.55 5.08 2.04 -1.93 0.55 117.51 126.59 1a1s h ILE 90 Ca -0.45 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 1a1s h ILE 90 Cb 1.21 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1a1s h ILE 90 CO 0.85 0.01 0.03 0.00 0.00 0.00 0.00 178.15 179.04 1a1s h ALA 91 N 1.32 0.73 -0.43 1.87 0.00 -1.89 -2.38 119.26 118.49 1a1s h ALA 91 Ca 0.72 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 55.24 1a1s h ALA 91 Cb 2.73 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 20.30 1a1s h ALA 91 CO -0.08 0.53 -0.15 -0.44 0.00 0.00 0.00 179.25 179.12 1a1s h ASP 92 N 0.83 0.87 -0.17 0.00 3.32 -0.25 -1.73 116.42 119.29 1a1s h ASP 92 Ca 0.16 -0.38 -0.10 0.00 0.02 0.00 0.00 57.03 56.73 1a1s h ASP 92 Cb 0.50 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1a1s h ASP 92 CO 0.02 1.05 -0.21 0.71 -1.72 0.00 0.00 179.24 179.09 1a1s h THR 93 N 0.67 1.26 -0.54 0.35 1.35 -1.44 -1.97 112.91 112.60 1a1s h THR 93 Ca 0.10 -1.26 -0.02 0.00 -0.55 0.00 0.00 66.41 64.68 1a1s h THR 93 Cb 0.70 1.25 -0.02 0.00 -1.73 0.00 0.00 68.15 68.34 1a1s h THR 93 CO 0.05 0.41 0.26 0.00 -0.25 0.00 0.00 175.52 175.99 1a1s h ALA 94 N 1.23 0.69 -0.16 6.62 0.00 -1.35 -0.02 119.26 126.27 1a1s h ALA 94 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1a1s h ALA 94 Cb 0.66 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1a1s h ALA 94 CO 0.05 0.26 0.08 0.00 0.00 0.00 0.00 179.25 179.64 1a1s h ARG 95 N 0.72 0.22 -0.25 0.00 -0.00 -0.88 -0.94 114.38 113.26 1a1s h ARG 95 Ca 0.18 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.98 59.55 1a1s h ARG 95 Cb 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.05 1a1s h ARG 95 CO -0.02 0.26 -0.15 -0.24 0.00 0.00 0.00 179.97 179.82 1a1s h VAL 96 N 0.13 1.30 -0.81 2.04 3.04 -1.20 -2.96 116.25 117.80 1a1s h VAL 96 Ca 0.05 -1.26 0.03 0.00 -1.01 0.00 0.00 66.70 64.52 1a1s h VAL 96 Cb 0.11 1.58 -0.05 0.00 -2.01 0.00 0.00 31.29 30.92 1a1s h VAL 96 CO -0.01 0.39 0.52 0.25 -1.01 0.00 0.00 177.57 177.72 1a1s h LEU 97 N 0.27 0.87 0.00 3.16 5.85 -0.97 0.53 115.31 125.01 1a1s h LEU 97 Ca 0.05 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1a1s h LEU 97 Cb 0.67 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1a1s h LEU 97 CO 0.04 0.61 0.00 -1.54 -0.34 0.00 0.00 178.44 177.21 1a1s n SER 98 N -4.57 0.00 0.01 1.25 3.41 -0.36 -0.46 113.62 112.90 1a1s n SER 98 Ca 0.10 -0.54 0.11 0.00 -0.26 0.00 0.00 58.87 58.27 1a1s n SER 98 Cb 0.08 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.96 1a1s n SER 98 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1a1s n ARG 99 N -0.92 0.35 -0.09 4.33 5.12 0.17 -4.63 116.66 121.00 1a1s n ARG 99 Ca 0.09 -0.05 -0.16 0.00 -1.93 0.00 0.00 57.85 55.81 1a1s n ARG 99 Cb 0.04 -1.56 -0.07 0.00 -1.16 0.00 0.00 32.46 29.71 1a1s n ARG 99 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1a1s n TYR 100 N -1.98 0.00 -3.13 -1.55 4.01 0.39 -5.08 117.16 109.82 1a1s n TYR 100 Ca 0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.56 1a1s n TYR 100 Cb 0.46 -0.63 0.01 0.00 -0.31 0.00 0.00 39.34 38.87 1a1s n TYR 100 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1a1s s VAL 101 N -2.32 2.80 -0.36 -0.72 -7.23 -0.66 -4.95 120.40 106.95 1a1s s VAL 101 Ca -0.23 -1.07 0.22 0.00 -1.81 0.00 0.00 61.98 59.08 1a1s s VAL 101 Cb 0.08 -2.87 -0.30 0.00 0.56 0.00 0.00 36.38 33.85 1a1s s VAL 101 CO 0.34 0.00 0.63 0.47 -0.31 0.00 0.00 175.10 176.22 1a1s n ASP 102 N -1.85 0.34 -3.49 4.85 8.00 0.42 -4.77 116.55 120.05 1a1s n ASP 102 Ca 0.08 -0.33 -0.13 0.00 0.71 0.00 0.00 54.79 55.11 1a1s n ASP 102 Cb 0.60 1.65 -0.04 0.00 -0.02 0.00 0.00 41.12 43.31 1a1s n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a1s s ALA 103 N -3.34 -1.74 -0.00 2.24 0.00 -1.15 -4.29 121.76 113.48 1a1s s ALA 103 Ca -0.03 1.00 0.07 0.00 0.00 0.00 0.00 51.96 53.01 1a1s s ALA 103 Cb 0.15 0.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 1a1s s ALA 103 CO 0.90 -0.56 -0.22 0.42 0.00 0.00 0.00 175.76 176.29 1a1s s ILE 104 N -2.45 1.72 -0.11 0.00 1.01 0.20 -1.88 121.20 119.69 1a1s s ILE 104 Ca -0.03 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.63 1a1s s ILE 104 Cb -0.01 -1.45 0.02 0.00 0.01 0.00 0.00 42.46 41.04 1a1s s ILE 104 CO -0.03 0.43 -0.11 -0.32 0.00 0.00 0.00 174.94 174.91 1a1s s MET 105 N -0.67 1.81 -0.04 2.79 -2.45 -0.15 -0.03 119.30 120.55 1a1s s MET 105 Ca 0.08 -0.38 0.05 0.00 -1.25 0.00 0.00 55.69 54.19 1a1s s MET 105 Cb -0.08 -1.71 -0.02 0.00 1.25 0.00 0.00 34.83 34.26 1a1s s MET 105 CO -0.00 -0.19 -0.20 0.00 1.05 0.00 0.00 175.02 175.68 1a1s s ALA 106 N 1.40 2.39 -0.36 4.11 0.00 -0.24 -0.52 121.76 128.55 1a1s s ALA 106 Ca 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.93 1a1s s ALA 106 Cb -0.13 -0.78 0.10 0.00 0.00 0.00 0.00 23.12 22.31 1a1s s ALA 106 CO -0.06 0.51 0.10 0.50 0.00 0.00 0.00 175.76 176.81 1a1s s ARG 107 N -0.53 1.80 0.11 0.00 3.00 0.73 -1.35 118.95 122.71 1a1s s ARG 107 Ca 0.07 -1.79 0.04 0.00 -1.00 0.00 0.00 55.73 53.05 1a1s s ARG 107 Cb -0.11 -3.35 -0.04 0.00 0.00 0.00 0.00 34.95 31.45 1a1s s ARG 107 CO 0.01 -0.96 -0.10 0.54 0.00 0.00 0.00 175.30 174.79 1a1s s VAL 108 N 1.03 0.98 0.00 7.11 0.11 -0.32 -0.58 120.40 128.73 1a1s s VAL 108 Ca 0.08 -1.75 -0.04 0.00 -2.93 0.00 0.00 61.98 57.33 1a1s s VAL 108 Cb -0.21 -1.49 -0.02 0.00 -1.53 0.00 0.00 36.38 33.13 1a1s s VAL 108 CO -0.06 -0.62 0.71 1.88 -3.33 0.00 0.00 175.10 173.69 1a1s h TYR 109 N 3.35 -0.14 -3.34 1.54 0.05 -1.91 -3.29 116.97 113.24 1a1s h TYR 109 Ca -0.37 -0.00 -0.57 0.00 0.05 0.00 0.00 58.73 57.84 1a1s h TYR 109 Cb 1.19 0.05 -0.06 0.00 1.01 0.00 0.00 36.73 38.92 1a1s h TYR 109 CO 0.63 -0.09 1.05 0.34 -1.05 0.00 0.00 178.16 179.05 1a1s s ASP 110 N -2.71 6.37 0.61 3.88 2.15 -1.26 -0.61 116.67 125.10 1a1s s ASP 110 Ca -0.02 0.76 0.28 0.00 0.43 0.00 0.00 52.55 54.00 1a1s s ASP 110 Cb 0.00 -2.54 1.44 0.00 -0.30 0.00 0.00 42.92 41.52 1a1s s ASP 110 CO 0.07 -1.42 1.84 -0.74 -0.17 0.00 0.00 175.17 174.75 1a1s h HIS 111 N 10.52 0.00 0.00 -5.34 -0.00 -1.94 0.35 115.15 118.75 1a1s h HIS 111 Ca -0.27 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.06 1a1s h HIS 111 Cb 1.10 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.50 1a1s h HIS 111 CO 0.97 0.00 -0.18 -0.22 -0.00 0.00 0.00 177.93 178.50 1a1s h LYS 112 N 0.00 0.00 -0.04 5.26 3.64 -1.98 -2.09 116.57 121.36 1a1s h LYS 112 Ca 0.16 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1a1s h LYS 112 Cb 1.16 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1a1s h LYS 112 CO -0.00 0.18 -0.05 -0.44 -2.27 0.00 0.00 179.45 176.87 1a1s h ASP 113 N 0.00 0.11 0.06 4.20 3.32 -0.69 0.64 116.42 124.06 1a1s h ASP 113 Ca -0.00 -0.52 -0.03 0.00 0.02 0.00 0.00 57.03 56.50 1a1s h ASP 113 Cb 0.60 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1a1s h ASP 113 CO 0.02 0.61 -0.09 1.62 -1.72 0.00 0.00 179.24 179.68 1a1s h VAL 114 N -0.39 1.10 -0.21 -1.35 3.04 -1.59 0.19 116.25 117.03 1a1s h VAL 114 Ca 0.00 -0.43 -0.17 0.00 -1.01 0.00 0.00 66.70 65.09 1a1s h VAL 114 Cb 0.58 1.16 -0.00 0.00 -2.01 0.00 0.00 31.29 31.02 1a1s h VAL 114 CO 0.01 0.13 -0.55 -0.33 -1.01 0.00 0.00 177.57 175.82 1a1s h GLU 115 N 0.07 0.63 -0.24 4.17 5.08 -1.17 -2.22 114.58 120.90 1a1s h GLU 115 Ca 0.02 -0.40 -0.18 0.00 -1.00 0.00 0.00 59.36 57.79 1a1s h GLU 115 Cb 0.21 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1a1s h GLU 115 CO 0.01 1.01 -0.58 -0.44 -1.00 0.00 0.00 179.01 178.02 1a1s h ASP 116 N 0.48 0.87 -0.63 1.42 3.32 0.32 -2.65 116.42 119.55 1a1s h ASP 116 Ca 0.01 -0.48 0.04 0.00 0.02 0.00 0.00 57.03 56.62 1a1s h ASP 116 Cb 1.11 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.36 1a1s h ASP 116 CO 0.11 1.26 0.37 0.25 -1.72 0.00 0.00 179.24 179.51 1a1s h LEU 117 N 0.59 0.59 -0.90 1.55 5.85 -0.59 -2.28 115.31 120.12 1a1s h LEU 117 Ca 0.01 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 1a1s h LEU 117 Cb 1.17 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1a1s h LEU 117 CO 0.12 0.40 -0.29 0.00 -0.34 0.00 0.00 178.44 178.33 1a1s h ALA 118 N 1.30 1.06 0.00 1.25 0.00 -1.31 -2.22 119.26 119.34 1a1s h ALA 118 Ca 0.27 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1a1s h ALA 118 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1a1s h ALA 118 CO -0.13 0.58 -0.30 -0.22 0.00 0.00 0.00 179.25 179.17 1a1s h LYS 119 N 0.41 0.00 -0.02 0.00 3.64 -1.05 -3.08 116.57 116.47 1a1s h LYS 119 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1a1s h LYS 119 Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1a1s h LYS 119 CO 0.06 0.30 -0.02 0.66 -2.27 0.00 0.00 179.45 178.18 1a1s n TYR 120 N -4.12 0.00 0.31 1.91 4.01 -1.12 -4.83 117.16 113.31 1a1s n TYR 120 Ca -0.02 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.54 1a1s n TYR 120 Cb 0.35 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.29 1a1s n TYR 120 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a1s h ALA 121 N 2.69 -1.00 0.00 -0.72 0.00 -1.31 -3.37 119.26 115.54 1a1s h ALA 121 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1a1s h ALA 121 Cb 0.57 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1a1s h ALA 121 CO 0.00 -1.09 0.00 2.41 0.00 0.00 0.00 179.25 180.57 1a1s n THR 122 N -5.53 0.00 -4.54 0.00 -1.04 -1.26 -4.55 114.28 97.36 1a1s n THR 122 Ca -0.12 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.65 1a1s n THR 122 Cb 0.43 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.80 1a1s n THR 122 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1a1s s VAL 123 N -0.96 1.47 0.32 12.58 1.01 -1.26 -5.11 120.40 128.45 1a1s s VAL 123 Ca 0.00 -1.13 -0.28 0.00 0.00 0.00 0.00 61.98 60.57 1a1s s VAL 123 Cb 0.00 -1.30 -0.13 0.00 0.00 0.00 0.00 36.38 34.95 1a1s s VAL 123 CO 0.00 0.13 1.12 -2.65 0.00 0.00 0.00 175.10 173.70 1a1s n PRO 124 N 1.86 1.66 -5.13 2.72 -0.02 -1.26 -4.73 135.00 130.10 1a1s n PRO 124 Ca -0.17 0.58 -0.32 0.00 -2.02 0.00 0.00 63.50 61.57 1a1s n PRO 124 Cb 0.54 -2.04 -0.17 0.00 -0.02 0.00 0.00 33.50 31.81 1a1s n PRO 124 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1a1s s VAL 125 N -1.08 2.00 -0.06 -1.45 1.01 -1.26 -0.63 120.40 118.93 1a1s s VAL 125 Ca 0.57 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1a1s s VAL 125 Cb -0.64 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1a1s s VAL 125 CO 0.61 0.55 -0.12 -0.63 0.00 0.00 0.00 175.10 175.50 1a1s s ILE 126 N 0.40 3.22 -0.47 2.22 1.01 0.95 -0.91 121.20 127.62 1a1s s ILE 126 Ca -0.18 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 59.66 1a1s s ILE 126 Cb -0.18 -2.28 0.07 0.00 0.01 0.00 0.00 42.46 40.09 1a1s s ILE 126 CO 0.08 0.59 0.39 0.21 0.00 0.00 0.00 174.94 176.21 1a1s s ASN 127 N -0.70 6.13 0.15 3.58 2.47 0.12 -1.08 114.94 125.61 1a1s s ASN 127 Ca 0.11 -1.34 0.26 0.00 0.42 0.00 0.00 52.86 52.31 1a1s s ASN 127 Cb -0.11 -2.18 0.80 0.00 -1.45 0.00 0.00 41.25 38.32 1a1s s ASN 127 CO 0.01 -0.64 1.72 0.61 -3.72 0.00 0.00 177.10 175.08 1a1s n GLY 128 N 5.19 -1.61 0.00 1.21 0.00 -0.45 -4.38 105.19 105.14 1a1s n GLY 128 Ca -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1a1s n GLY 128 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1a1s n LEU 129 N -2.07 0.00 0.00 0.99 0.00 -1.25 -4.88 117.00 109.79 1a1s n LEU 129 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 56.01 55.83 1a1s n LEU 129 Cb 0.41 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.76 1a1s n LEU 129 CO 0.31 0.00 -0.14 -1.54 0.00 0.00 0.00 177.39 176.02 1a1s n SER 130 N 0.00 0.68 0.11 1.96 3.41 -0.79 -1.18 113.62 117.81 1a1s n SER 130 Ca 0.00 -3.15 0.13 0.00 -0.26 0.00 0.00 58.87 55.59 1a1s n SER 130 Cb 0.00 1.20 0.37 0.00 -0.26 0.00 0.00 64.21 65.52 1a1s n SER 130 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1a1s n ASP 131 N -1.58 0.84 -0.02 4.04 5.68 0.22 -3.70 116.55 122.03 1a1s n ASP 131 Ca -0.02 0.54 -0.16 0.00 -0.50 0.00 0.00 54.79 54.65 1a1s n ASP 131 Cb 0.60 -0.72 -0.14 0.00 -1.14 0.00 0.00 41.12 39.72 1a1s n ASP 131 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1a1s n PHE 132 N -2.28 1.03 -3.69 2.11 7.35 -1.26 -3.99 117.46 116.73 1a1s n PHE 132 Ca 0.05 0.27 -0.09 0.00 -0.76 0.00 0.00 57.45 56.92 1a1s n PHE 132 Cb 0.44 -1.16 -0.03 0.00 0.35 0.00 0.00 39.48 39.08 1a1s n PHE 132 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1a1s s SER 133 N -6.59 -0.35 -0.42 -2.13 1.04 -1.24 -4.32 113.70 99.70 1a1s s SER 133 Ca -0.16 -0.39 0.06 0.00 0.48 0.00 0.00 55.95 55.93 1a1s s SER 133 Cb 0.07 0.63 0.20 0.00 0.10 0.00 0.00 66.02 67.02 1a1s s SER 133 CO 0.78 -1.12 0.45 1.57 0.98 0.00 0.00 173.24 175.91 1a1s n HIS 134 N -0.39 -1.18 -0.26 5.02 -0.00 -1.25 -1.88 115.22 115.28 1a1s n HIS 134 Ca -0.10 -3.11 -0.03 0.00 0.46 0.00 0.00 57.72 54.93 1a1s n HIS 134 Cb 0.62 0.27 0.08 0.00 -0.12 0.00 0.00 29.99 30.84 1a1s n HIS 134 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1a1s h PRO 135 N 5.03 0.89 -0.01 1.57 0.11 -1.85 -2.12 132.00 135.61 1a1s h PRO 135 Ca 0.17 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1a1s h PRO 135 Cb 0.93 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 1a1s h PRO 135 CO 0.36 0.59 0.01 0.00 -0.21 0.00 0.00 178.00 178.75 1a1s h GLN 137 N 0.00 0.58 -0.66 0.00 5.75 -1.76 -2.75 115.11 116.27 1a1s h GLN 137 Ca 0.01 -0.67 0.01 0.00 -0.15 0.00 0.00 58.65 57.85 1a1s h GLN 137 Cb 0.03 0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 1a1s h GLN 137 CO -0.00 1.27 0.43 0.00 -2.65 0.00 0.00 178.83 177.88 1a1s h ALA 138 N 0.33 0.85 -0.30 3.38 0.00 -1.30 0.23 119.26 122.45 1a1s h ALA 138 Ca -0.13 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1a1s h ALA 138 Cb 1.64 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1a1s h ALA 138 CO 0.19 0.23 0.11 -0.07 0.00 0.00 0.00 179.25 179.70 1a1s h LEU 139 N 0.86 0.12 -0.12 0.00 3.38 -1.45 0.26 115.31 118.37 1a1s h LEU 139 Ca 0.25 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1a1s h LEU 139 Cb -0.06 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1a1s h LEU 139 CO -0.07 0.11 0.06 0.00 0.09 0.00 0.00 178.44 178.62 1a1s h ALA 140 N 1.18 0.15 0.23 1.53 0.00 -1.11 0.51 119.26 121.76 1a1s h ALA 140 Ca 0.13 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1a1s h ALA 140 Cb 0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1a1s h ALA 140 CO -0.13 -0.28 -0.35 -0.44 0.00 0.00 0.00 179.25 178.05 1a1s h ASP 141 N 0.06 -0.99 0.55 0.00 3.32 -0.12 0.76 116.42 120.00 1a1s h ASP 141 Ca 0.04 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1a1s h ASP 141 Cb 0.13 0.35 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 1a1s h ASP 141 CO -0.00 -0.46 -0.13 1.88 -1.72 0.00 0.00 179.24 178.80 1a1s h TYR 142 N -0.65 0.00 -0.18 4.55 0.05 -0.45 -0.66 116.97 119.62 1a1s h TYR 142 Ca 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 1a1s h TYR 142 Cb 0.63 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.37 1a1s h TYR 142 CO -0.26 0.13 -0.00 1.98 -1.05 0.00 0.00 178.16 178.96 1a1s h MET 143 N 0.00 0.32 -0.08 4.88 4.05 0.01 -1.08 114.93 123.03 1a1s h MET 143 Ca -0.00 -0.10 0.01 0.00 -0.28 0.00 0.00 59.70 59.33 1a1s h MET 143 Cb 0.44 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 1a1s h MET 143 CO 0.02 0.54 -0.01 1.15 0.23 0.00 0.00 176.91 178.84 1a1s h THR 144 N 0.07 0.94 -0.66 -0.77 2.02 0.28 0.04 112.91 114.83 1a1s h THR 144 Ca 0.05 -0.01 0.07 0.00 0.77 0.00 0.00 66.41 67.29 1a1s h THR 144 Cb 0.39 0.92 -0.06 0.00 -1.74 0.00 0.00 68.15 67.67 1a1s h THR 144 CO 0.01 0.00 0.35 0.40 0.37 0.00 0.00 175.52 176.65 1a1s h ILE 145 N 0.02 0.93 -0.59 3.11 2.04 -1.15 -1.10 117.51 120.77 1a1s h ILE 145 Ca 0.04 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.69 1a1s h ILE 145 Cb 0.05 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 1a1s h ILE 145 CO -0.07 0.12 0.38 -0.25 0.00 0.00 0.00 178.15 178.33 1a1s h TRP 146 N 0.64 0.72 0.92 1.37 7.01 -0.59 0.27 115.95 126.28 1a1s h TRP 146 Ca 0.30 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.27 1a1s h TRP 146 Cb 0.23 -0.24 0.01 0.00 -2.10 0.00 0.00 29.16 27.05 1a1s h TRP 146 CO -0.09 0.44 -0.44 0.93 -2.79 0.00 0.00 178.44 176.49 1a1s h GLU 147 N 0.77 -1.19 0.68 2.65 5.08 -0.27 -1.40 114.58 120.89 1a1s h GLU 147 Ca 0.22 0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 1a1s h GLU 147 Cb -0.06 0.27 0.01 0.00 0.50 0.00 0.00 28.75 29.47 1a1s h GLU 147 CO -0.06 -0.79 -0.33 0.87 -1.00 0.00 0.00 179.01 177.70 1a1s h LYS 148 N -1.30 -0.88 0.00 2.33 1.79 -1.11 -3.30 116.57 114.11 1a1s h LYS 148 Ca -0.13 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1a1s h LYS 148 Cb 0.95 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 1a1s h LYS 148 CO 0.21 -0.55 0.00 0.87 -1.08 0.00 0.00 179.45 178.89 1a1s h LYS 149 N -1.03 0.00 0.00 3.15 6.56 -0.62 -3.48 116.57 121.16 1a1s h LYS 149 Ca -0.09 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.50 1a1s h LYS 149 Cb 0.73 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.39 1a1s h LYS 149 CO 0.15 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.95 1a1s n GLY 150 N 0.76 2.45 3.63 3.86 0.00 -0.53 -4.95 105.19 110.41 1a1s n GLY 150 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 1a1s n GLY 150 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1a1s s THR 151 N -2.43 0.00 -0.06 2.61 -1.32 -1.24 -4.97 115.64 108.22 1a1s s THR 151 Ca 0.00 -0.35 0.10 0.00 -1.21 0.00 0.00 61.69 60.23 1a1s s THR 151 Cb 0.00 -1.51 -0.14 0.00 -1.51 0.00 0.00 72.50 69.34 1a1s s THR 151 CO 0.00 0.00 0.11 -0.38 -2.21 0.00 0.00 174.62 172.14 1a1s n ILE 152 N -0.37 0.41 0.00 5.08 5.41 -1.26 -4.45 119.36 124.18 1a1s n ILE 152 Ca -0.08 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.32 1a1s n ILE 152 Cb 0.61 -0.34 0.00 0.00 -0.71 0.00 0.00 39.64 39.20 1a1s n ILE 152 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1a1s n LYS 153 N -2.17 0.00 -0.46 0.38 0.00 -1.26 -2.84 118.16 111.81 1a1s n LYS 153 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.21 1a1s n LYS 153 Cb 0.61 -0.26 0.00 0.00 0.00 0.00 0.00 35.03 35.38 1a1s n LYS 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1a1s n GLY 154 N 0.00 2.45 3.74 3.14 0.00 -1.26 -3.02 105.19 110.23 1a1s n GLY 154 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1a1s n GLY 154 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1a1s s VAL 155 N 0.01 5.33 -0.55 1.61 -7.23 -1.13 -4.85 120.40 113.59 1a1s s VAL 155 Ca 0.00 0.16 -0.23 0.00 -1.81 0.00 0.00 61.98 60.10 1a1s s VAL 155 Cb 0.00 -3.41 0.05 0.00 0.56 0.00 0.00 36.38 33.58 1a1s s VAL 155 CO 0.00 0.47 0.86 -0.75 -0.31 0.00 0.00 175.10 175.37 1a1s s LYS 156 N 0.17 3.26 -0.17 4.82 2.20 -1.26 -1.36 119.74 127.40 1a1s s LYS 156 Ca 0.08 -0.48 -0.05 0.00 -0.36 0.00 0.00 55.97 55.17 1a1s s LYS 156 Cb -0.11 -4.08 -0.03 0.00 -1.51 0.00 0.00 37.83 32.10 1a1s s LYS 156 CO -0.01 -1.44 -0.01 0.14 -0.36 0.00 0.00 175.35 173.66 1a1s s VAL 157 N 3.61 4.06 -0.08 4.02 -7.23 -0.96 -1.69 120.40 122.13 1a1s s VAL 157 Ca 0.26 -0.29 0.04 0.00 -1.81 0.00 0.00 61.98 60.17 1a1s s VAL 157 Cb -0.15 -2.80 0.00 0.00 0.56 0.00 0.00 36.38 34.00 1a1s s VAL 157 CO 0.16 0.48 -0.20 0.68 -0.31 0.00 0.00 175.10 175.91 1a1s s VAL 158 N 0.48 1.75 -0.20 1.32 -7.23 -0.89 -2.06 120.40 113.56 1a1s s VAL 158 Ca -0.02 -0.84 -0.09 0.00 -1.81 0.00 0.00 61.98 59.22 1a1s s VAL 158 Cb -0.14 -1.52 -0.05 0.00 0.56 0.00 0.00 36.38 35.23 1a1s s VAL 158 CO 0.02 0.49 0.11 -0.47 -0.31 0.00 0.00 175.10 174.95 1a1s s TYR 159 N 0.40 3.34 -0.14 2.82 5.04 -0.19 -1.17 117.35 127.45 1a1s s TYR 159 Ca -0.16 0.22 0.02 0.00 -2.44 0.00 0.00 57.07 54.70 1a1s s TYR 159 Cb -0.17 -2.16 0.02 0.00 0.35 0.00 0.00 41.96 40.00 1a1s s TYR 159 CO 0.07 0.19 -0.18 0.14 -1.34 0.00 0.00 175.55 174.43 1a1s s VAL 160 N 0.53 1.81 0.00 3.14 -7.23 -0.48 -1.16 120.40 117.00 1a1s s VAL 160 Ca 0.06 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.43 1a1s s VAL 160 Cb -0.12 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.19 1a1s s VAL 160 CO -0.00 0.50 0.00 0.61 -0.31 0.00 0.00 175.10 175.90 1a1s n GLY 161 N 4.36 1.68 2.85 2.32 0.00 -0.61 -4.43 105.19 111.35 1a1s n GLY 161 Ca -0.19 -2.05 -0.47 0.00 0.00 0.00 0.00 46.02 43.31 1a1s n GLY 161 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a1s n ASP 162 N 0.00 -0.18 -4.50 1.61 2.03 -1.26 -4.49 116.55 109.77 1a1s n ASP 162 Ca 0.00 0.94 -0.42 0.00 0.52 0.00 0.00 54.79 55.83 1a1s n ASP 162 Cb 0.00 -0.76 -0.03 0.00 -0.72 0.00 0.00 41.12 39.61 1a1s n ASP 162 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1a1s s GLY 163 N -0.14 1.20 0.00 0.27 0.00 -0.89 -4.85 107.32 102.92 1a1s s GLY 163 Ca 0.71 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1a1s s GLY 163 CO 0.46 2.33 0.00 1.16 0.00 0.00 0.00 173.10 177.05 1a1s n ASN 164 N 8.38 1.84 -0.05 1.64 0.23 -1.26 -4.25 115.26 121.79 1a1s n ASN 164 Ca 0.02 -0.12 -0.08 0.00 -0.53 0.00 0.00 54.58 53.87 1a1s n ASN 164 Cb 0.47 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.15 1a1s n ASN 164 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1a1s h ASN 165 N 0.00 -0.01 0.42 0.53 7.08 -1.75 0.23 115.58 122.07 1a1s h ASN 165 Ca 0.00 0.04 -0.08 0.00 -3.08 0.00 0.00 56.30 53.18 1a1s h ASN 165 Cb 0.00 0.06 -0.01 0.00 -2.08 0.00 0.00 38.32 36.28 1a1s h ASN 165 CO 0.00 0.02 -0.40 -0.37 -2.08 0.00 0.00 177.43 174.61 1a1s h VAL 166 N 0.12 1.26 -0.38 6.14 -1.51 -1.90 -0.89 116.25 119.08 1a1s h VAL 166 Ca 0.10 -1.37 -0.02 0.00 -1.23 0.00 0.00 66.70 64.18 1a1s h VAL 166 Cb 0.11 1.74 -0.02 0.00 -2.13 0.00 0.00 31.29 30.99 1a1s h VAL 166 CO -0.15 0.39 0.15 0.00 -1.23 0.00 0.00 177.57 176.73 1a1s h ALA 167 N 1.60 0.50 -0.18 5.19 0.00 -1.63 -0.38 119.26 124.36 1a1s h ALA 167 Ca -0.00 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1a1s h ALA 167 Cb 0.71 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1a1s h ALA 167 CO 0.05 0.11 -0.11 0.45 0.00 0.00 0.00 179.25 179.74 1a1s h HIS 168 N 0.47 -0.28 0.00 0.00 3.86 0.40 -2.00 115.15 117.61 1a1s h HIS 168 Ca 0.13 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.31 1a1s h HIS 168 Cb 0.19 0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 1a1s h HIS 168 CO -0.00 -0.17 -0.24 0.77 0.86 0.00 0.00 177.93 179.15 1a1s h SER 169 N -0.11 0.00 -0.25 2.45 0.02 -0.89 -0.76 113.55 114.01 1a1s h SER 169 Ca 0.11 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.90 1a1s h SER 169 Cb 0.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1a1s h SER 169 CO -0.25 0.24 -0.42 -0.07 -1.14 0.00 0.00 176.83 175.19 1a1s h LEU 170 N 0.00 0.87 0.31 5.07 3.38 -0.64 -2.31 115.31 121.99 1a1s h LEU 170 Ca -0.00 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1a1s h LEU 170 Cb 0.60 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1a1s h LEU 170 CO 0.03 1.17 -0.15 0.24 0.09 0.00 0.00 178.44 179.83 1a1s h MET 171 N 0.65 -0.40 -0.56 1.13 2.86 -0.64 -1.72 114.93 116.26 1a1s h MET 171 Ca 0.05 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.77 1a1s h MET 171 Cb 0.99 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.69 1a1s h MET 171 CO 0.10 -0.08 0.28 0.82 1.06 0.00 0.00 176.91 179.08 1a1s h ILE 172 N -0.74 0.93 0.04 -1.22 2.04 -1.20 -2.00 117.51 115.35 1a1s h ILE 172 Ca -0.04 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 1a1s h ILE 172 Cb 0.50 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1a1s h ILE 172 CO 0.07 0.10 -0.02 0.00 0.00 0.00 0.00 178.15 178.30 1a1s h ALA 173 N 1.31 -0.05 -0.91 1.87 0.00 -1.48 -2.62 119.26 117.39 1a1s h ALA 173 Ca 0.25 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.90 1a1s h ALA 173 Cb 0.18 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1a1s h ALA 173 CO -0.18 -0.12 0.56 0.78 0.00 0.00 0.00 179.25 180.29 1a1s h GLY 174 N -0.87 1.39 2.00 0.00 0.00 -1.35 0.32 103.07 104.56 1a1s h GLY 174 Ca -0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 1a1s h GLY 174 CO 0.01 0.24 -0.51 0.00 0.00 0.00 0.00 176.54 176.28 1a1s h THR 175 N 0.99 1.35 0.01 4.70 1.03 -1.48 0.25 112.91 119.76 1a1s h THR 175 Ca 0.41 -1.78 -0.19 0.00 -0.01 0.00 0.00 66.41 64.84 1a1s h THR 175 Cb 0.25 1.96 -0.02 0.00 -1.07 0.00 0.00 68.15 69.27 1a1s h THR 175 CO -0.20 0.50 -0.88 0.11 -0.01 0.00 0.00 175.52 175.04 1a1s h LYS 176 N 0.00 0.05 -0.00 0.00 1.79 -0.46 -3.23 116.57 114.72 1a1s h LYS 176 Ca -0.01 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1a1s h LYS 176 Cb 0.92 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 1a1s h LYS 176 CO 0.07 0.90 -0.15 1.28 -1.08 0.00 0.00 179.45 180.47 1a1s n LEU 177 N -3.54 0.50 0.00 2.94 4.77 0.88 -4.67 117.00 117.88 1a1s n LEU 177 Ca -0.01 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1a1s n LEU 177 Cb 0.83 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1a1s n LEU 177 CO 0.46 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1a1s n GLY 178 N 1.32 0.72 3.83 -0.72 0.00 -0.48 -4.32 105.19 105.53 1a1s n GLY 178 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1a1s n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a1s s ALA 179 N -2.10 2.82 -0.69 4.61 0.00 0.77 -3.93 121.76 123.25 1a1s s ALA 179 Ca 0.00 0.15 -0.18 0.00 0.00 0.00 0.00 51.96 51.93 1a1s s ALA 179 Cb 0.00 -3.17 0.13 0.00 0.00 0.00 0.00 23.12 20.08 1a1s s ALA 179 CO 0.00 -0.89 0.79 -0.51 0.00 0.00 0.00 175.76 175.15 1a1s s ASP 180 N -3.49 6.35 -0.10 0.00 1.01 -0.47 -2.73 116.67 117.25 1a1s s ASP 180 Ca 0.59 -1.73 -0.06 0.00 0.71 0.00 0.00 52.55 52.06 1a1s s ASP 180 Cb -0.13 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 1a1s s ASP 180 CO 0.47 -1.03 0.15 0.68 0.21 0.00 0.00 175.17 175.65 1a1s s VAL 181 N 2.31 5.48 -0.00 -1.27 -7.23 0.24 -2.26 120.40 117.67 1a1s s VAL 181 Ca 0.16 0.13 0.02 0.00 -1.81 0.00 0.00 61.98 60.48 1a1s s VAL 181 Cb -0.19 -3.42 -0.01 0.00 0.56 0.00 0.00 36.38 33.32 1a1s s VAL 181 CO 0.01 0.56 -0.08 0.68 -0.31 0.00 0.00 175.10 175.96 1a1s s VAL 182 N -1.09 0.60 -0.08 1.32 -7.23 -0.88 -1.97 120.40 111.07 1a1s s VAL 182 Ca 0.18 -0.34 0.03 0.00 -1.81 0.00 0.00 61.98 60.03 1a1s s VAL 182 Cb -0.12 -0.51 0.01 0.00 0.56 0.00 0.00 36.38 36.32 1a1s s VAL 182 CO 0.07 0.16 -0.18 0.54 -0.31 0.00 0.00 175.10 175.38 1a1s s VAL 183 N -0.21 1.57 -0.14 1.32 0.11 -0.15 -1.02 120.40 121.88 1a1s s VAL 183 Ca 0.03 -0.73 0.02 0.00 -2.93 0.00 0.00 61.98 58.36 1a1s s VAL 183 Cb -0.03 -1.39 0.01 0.00 -1.53 0.00 0.00 36.38 33.44 1a1s s VAL 183 CO -0.00 0.45 -0.22 0.00 -3.33 0.00 0.00 175.10 172.00 1a1s s ALA 184 N 0.51 2.23 0.05 1.54 0.00 -0.31 -1.00 121.76 124.79 1a1s s ALA 184 Ca -0.17 -1.09 -0.06 0.00 0.00 0.00 0.00 51.96 50.65 1a1s s ALA 184 Cb -0.17 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 1a1s s ALA 184 CO 0.06 -0.06 0.11 0.95 0.00 0.00 0.00 175.76 176.82 1a1s s THR 185 N 0.86 0.14 0.49 0.00 -4.23 -1.01 -1.58 115.64 110.31 1a1s s THR 185 Ca -0.06 -1.15 -0.23 0.00 -1.18 0.00 0.00 61.69 59.07 1a1s s THR 185 Cb -0.15 -1.02 -0.07 0.00 1.34 0.00 0.00 72.50 72.59 1a1s s THR 185 CO -0.03 -0.63 1.26 -0.81 -0.54 0.00 0.00 174.62 173.87 1a1s n PRO 186 N 0.57 1.72 -0.20 3.99 -0.04 -1.26 -4.46 135.00 135.32 1a1s n PRO 186 Ca -0.18 0.62 0.04 0.00 -0.04 0.00 0.00 63.50 63.94 1a1s n PRO 186 Cb 0.59 -2.42 0.09 0.00 -0.04 0.00 0.00 33.50 31.72 1a1s n PRO 186 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1a1s n GLU 187 N -0.45 -0.05 -0.17 0.54 -0.58 -1.26 -0.09 120.64 118.57 1a1s n GLU 187 Ca 0.09 0.88 0.10 0.00 -0.42 0.00 0.00 57.16 57.81 1a1s n GLU 187 Cb 0.42 -1.33 0.27 0.00 -0.57 0.00 0.00 31.44 30.24 1a1s n GLU 187 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a1s n GLY 188 N -1.35 1.00 2.83 0.62 0.00 -1.26 -4.55 105.19 102.47 1a1s n GLY 188 Ca 0.09 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 1a1s n GLY 188 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1a1s n TYR 189 N 0.83 3.71 -4.20 1.61 4.02 0.87 -5.06 117.16 118.93 1a1s n TYR 189 Ca 0.17 -4.00 -0.25 0.00 -0.01 0.00 0.00 57.90 53.81 1a1s n TYR 189 Cb 0.42 -0.49 -0.07 0.00 -0.02 0.00 0.00 39.34 39.19 1a1s n TYR 189 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1a1s s GLU 190 N -3.28 2.51 0.70 -0.72 1.03 -1.26 -2.09 118.70 115.60 1a1s s GLU 190 Ca 0.47 -1.15 -0.16 0.00 0.03 0.00 0.00 54.97 54.16 1a1s s GLU 190 Cb 0.27 -2.37 -0.03 0.00 -0.80 0.00 0.00 34.13 31.20 1a1s s GLU 190 CO -0.12 0.43 0.71 -0.35 -1.33 0.00 0.00 175.26 174.60 1a1s n PRO 191 N -0.51 0.42 -1.59 -4.83 -0.04 -1.26 -4.68 135.00 122.52 1a1s n PRO 191 Ca -0.08 0.19 -0.45 0.00 -0.04 0.00 0.00 63.50 63.11 1a1s n PRO 191 Cb 0.56 -1.98 -0.02 0.00 -0.04 0.00 0.00 33.50 32.02 1a1s n PRO 191 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1a1s n ASP 192 N -0.76 1.29 -0.03 3.54 -0.08 -1.26 -4.80 116.55 114.45 1a1s n ASP 192 Ca 0.11 1.17 0.01 0.00 -1.51 0.00 0.00 54.79 54.58 1a1s n ASP 192 Cb 0.49 -1.27 0.34 0.00 2.34 0.00 0.00 41.12 43.02 1a1s n ASP 192 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1a1s h GLU 193 N 2.32 0.60 -0.37 -0.67 4.22 -1.99 -2.07 114.58 116.62 1a1s h GLU 193 Ca -0.40 -0.08 0.01 0.00 0.08 0.00 0.00 59.36 58.97 1a1s h GLU 193 Cb 1.34 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1a1s h GLU 193 CO 0.63 0.49 0.23 -0.22 -2.18 0.00 0.00 179.01 177.97 1a1s h LYS 194 N 0.60 0.46 0.00 1.92 3.64 -1.99 0.16 116.57 121.36 1a1s h LYS 194 Ca 0.15 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 1a1s h LYS 194 Cb 0.11 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1a1s h LYS 194 CO -0.02 0.31 -0.44 -0.39 -2.27 0.00 0.00 179.45 176.64 1a1s h VAL 195 N 0.48 1.00 -0.48 2.00 -1.51 -1.84 -0.66 116.25 115.23 1a1s h VAL 195 Ca 0.14 -1.72 -0.13 0.00 -1.23 0.00 0.00 66.70 63.76 1a1s h VAL 195 Cb -0.03 2.02 -0.01 0.00 -2.13 0.00 0.00 31.29 31.14 1a1s h VAL 195 CO -0.05 0.43 -0.19 0.40 -1.23 0.00 0.00 177.57 176.93 1a1s h ILE 196 N 0.00 1.27 -0.16 7.19 2.04 -0.70 0.27 117.51 127.42 1a1s h ILE 196 Ca -0.00 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 1a1s h ILE 196 Cb 0.99 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1a1s h ILE 196 CO 0.06 0.47 0.06 0.50 0.00 0.00 0.00 178.15 179.24 1a1s h LYS 197 N 0.84 0.24 -0.08 2.37 3.64 -0.37 -2.56 116.57 120.65 1a1s h LYS 197 Ca 0.11 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1a1s h LYS 197 Cb 0.77 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.49 1a1s h LYS 197 CO 0.06 0.33 -0.42 -1.49 -2.27 0.00 0.00 179.45 175.66 1a1s h TRP 198 N 0.11 -1.19 -1.06 1.91 6.55 -0.75 -1.25 115.95 120.27 1a1s h TRP 198 Ca 0.05 0.04 0.28 0.00 0.95 0.00 0.00 58.89 60.22 1a1s h TRP 198 Cb 0.18 0.53 -0.09 0.00 -0.86 0.00 0.00 29.16 28.92 1a1s h TRP 198 CO -0.01 -0.48 0.69 0.00 -1.05 0.00 0.00 178.44 177.58 1a1s h ALA 199 N 0.06 2.33 0.06 1.49 0.00 -0.32 0.55 119.26 123.44 1a1s h ALA 199 Ca 0.06 0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 1a1s h ALA 199 Cb 0.63 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.49 1a1s h ALA 199 CO -0.37 -0.73 -0.95 0.93 0.00 0.00 0.00 179.25 178.14 1a1s h GLU 200 N 0.35 0.53 -0.35 0.00 5.08 -0.84 -1.05 114.58 118.30 1a1s h GLU 200 Ca 0.60 -0.65 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1a1s h GLU 200 Cb 1.60 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 31.04 1a1s h GLU 200 CO -0.27 1.27 0.05 1.96 -1.00 0.00 0.00 179.01 181.01 1a1s h GLN 201 N 0.09 0.59 -0.64 2.33 4.20 -0.61 -2.72 115.11 118.34 1a1s h GLN 201 Ca -0.14 -0.16 0.07 0.00 0.06 0.00 0.00 58.65 58.48 1a1s h GLN 201 Cb 1.65 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 29.30 1a1s h GLN 201 CO 0.18 0.67 0.33 -0.91 -0.67 0.00 0.00 178.83 178.44 1a1s h ASN 202 N 0.43 0.46 -0.87 1.46 2.35 -0.96 -2.58 115.58 115.87 1a1s h ASN 202 Ca 0.11 0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1a1s h ASN 202 Cb 0.37 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.65 1a1s h ASN 202 CO 0.01 0.30 0.57 0.00 -1.65 0.00 0.00 177.43 176.66 1a1s h ALA 203 N 1.36 1.42 -0.59 -0.83 0.00 -0.90 -2.50 119.26 117.21 1a1s h ALA 203 Ca 0.29 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.25 1a1s h ALA 203 Cb 0.23 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 1a1s h ALA 203 CO -0.21 0.51 0.21 0.00 0.00 0.00 0.00 179.25 179.77 1a1s h ALA 204 N 1.48 0.76 0.00 0.00 0.00 -1.17 -1.88 119.26 118.45 1a1s h ALA 204 Ca 0.33 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.21 1a1s h ALA 204 Cb -0.05 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1a1s h ALA 204 CO -0.09 -0.21 -0.58 0.93 0.00 0.00 0.00 179.25 179.30 1a1s h GLU 205 N 0.39 0.00 -0.53 0.00 5.08 -1.50 -3.21 114.58 114.81 1a1s h GLU 205 Ca 0.30 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.44 1a1s h GLU 205 Cb 0.37 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.49 1a1s h GLU 205 CO -0.31 0.58 0.14 -1.13 -1.00 0.00 0.00 179.01 177.30 1a1s n SER 206 N -3.83 3.42 -4.32 1.42 3.41 -1.01 -4.93 113.62 107.79 1a1s n SER 206 Ca -0.01 -3.50 -0.37 0.00 -0.26 0.00 0.00 58.87 54.73 1a1s n SER 206 Cb 0.59 -0.68 -0.08 0.00 -0.26 0.00 0.00 64.21 63.78 1a1s n SER 206 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a1s n GLY 207 N -0.84 -0.30 0.00 5.00 0.00 -0.76 -4.08 105.19 104.21 1a1s n GLY 207 Ca 0.37 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1a1s n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a1s n GLY 208 N -1.46 0.93 0.00 -0.02 0.00 -0.89 -4.87 105.19 98.88 1a1s n GLY 208 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1a1s n GLY 208 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a1s n SER 209 N 0.00 0.00 -3.91 1.61 3.41 -1.11 -4.82 113.62 108.81 1a1s n SER 209 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1a1s n SER 209 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1a1s n SER 209 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1a1s s PHE 210 N -2.00 0.19 -0.30 7.33 5.36 -1.23 -0.59 117.98 126.74 1a1s s PHE 210 Ca 0.00 -0.55 -0.14 0.00 -0.96 0.00 0.00 56.93 55.28 1a1s s PHE 210 Cb 0.00 -0.12 0.16 0.00 -0.34 0.00 0.00 43.02 42.72 1a1s s PHE 210 CO 0.00 -0.44 0.91 -2.00 -1.46 0.00 0.00 175.22 172.23 1a1s s GLU 211 N -3.19 0.36 0.19 10.12 2.12 -0.83 -4.94 118.70 122.53 1a1s s GLU 211 Ca -0.00 0.89 -0.13 0.00 0.36 0.00 0.00 54.97 56.09 1a1s s GLU 211 Cb 0.02 0.53 -0.07 0.00 0.26 0.00 0.00 34.13 34.87 1a1s s GLU 211 CO -0.07 -0.13 0.57 -1.17 -0.54 0.00 0.00 175.26 173.92 1a1s s LEU 212 N 2.57 4.26 0.30 2.70 0.20 -1.26 -0.98 118.68 126.47 1a1s s LEU 212 Ca -0.03 1.06 -0.06 0.00 0.69 0.00 0.00 54.13 55.79 1a1s s LEU 212 Cb -0.08 -3.50 -0.00 0.00 -0.43 0.00 0.00 46.19 42.19 1a1s s LEU 212 CO -0.18 0.01 0.45 -0.76 -0.29 0.00 0.00 176.35 175.58 1a1s s LEU 213 N -2.34 0.79 -0.00 -0.68 1.43 -0.17 -4.91 118.68 112.79 1a1s s LEU 213 Ca 0.43 -1.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.24 1a1s s LEU 213 Cb -0.13 1.48 0.01 0.00 0.03 0.00 0.00 46.19 47.58 1a1s s LEU 213 CO 0.20 -1.21 0.83 1.41 0.23 0.00 0.00 176.35 177.81 1a1s n HIS 214 N -0.48 0.00 -3.74 0.29 8.25 -1.26 -2.41 115.22 115.88 1a1s n HIS 214 Ca 0.00 -0.05 -0.29 0.00 -0.26 0.00 0.00 57.72 57.12 1a1s n HIS 214 Cb 0.62 -0.04 -0.15 0.00 1.12 0.00 0.00 29.99 31.54 1a1s n HIS 214 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1a1s s ASP 215 N -0.72 3.65 0.15 0.41 2.15 -1.26 -4.81 116.67 116.24 1a1s s ASP 215 Ca 0.01 -1.33 -0.23 0.00 0.43 0.00 0.00 52.55 51.43 1a1s s ASP 215 Cb 0.01 -0.77 0.03 0.00 -0.30 0.00 0.00 42.92 41.89 1a1s s ASP 215 CO 0.00 -0.37 1.61 1.55 -0.17 0.00 0.00 175.17 177.79 1a1s h PRO 216 N 8.15 -0.27 -0.28 4.34 0.13 -1.92 -1.49 132.00 140.66 1a1s h PRO 216 Ca -0.15 0.02 0.08 0.00 -0.87 0.00 0.00 66.00 65.08 1a1s h PRO 216 Cb 1.05 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1a1s h PRO 216 CO 0.42 -0.18 0.22 -0.39 -0.23 0.00 0.00 178.00 177.85 1a1s h VAL 217 N -0.28 0.72 0.01 1.56 -1.51 -1.94 0.20 116.25 115.01 1a1s h VAL 217 Ca 0.14 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.58 1a1s h VAL 217 Cb 0.51 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 1a1s h VAL 217 CO -0.44 0.00 -0.14 0.50 -1.23 0.00 0.00 177.57 176.26 1a1s h LYS 218 N 0.00 0.08 -0.23 5.19 1.63 -1.86 -3.32 116.57 118.06 1a1s h LYS 218 Ca 0.13 -0.10 0.06 0.00 -0.85 0.00 0.00 60.65 59.89 1a1s h LYS 218 Cb 0.57 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 32.17 1a1s h LYS 218 CO -0.00 0.90 -0.16 0.00 -3.45 0.00 0.00 179.45 176.73 1a1s h ALA 219 N 0.19 0.00 0.00 5.00 0.00 -0.00 -1.83 119.26 122.62 1a1s h ALA 219 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1a1s h ALA 219 Cb 0.95 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1a1s h ALA 219 CO 0.03 -0.58 0.00 1.33 0.00 0.00 0.00 179.25 180.03 1a1s n VAL 220 N -5.32 0.00 -2.21 0.00 0.24 0.51 -4.83 118.33 106.72 1a1s n VAL 220 Ca -0.01 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.87 1a1s n VAL 220 Cb 0.24 -0.22 -0.03 0.00 -1.47 0.00 0.00 33.84 32.35 1a1s n VAL 220 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1a1s s LYS 221 N -1.85 4.26 -1.62 7.34 2.20 -0.69 -2.95 119.74 126.43 1a1s s LYS 221 Ca 0.00 1.97 -0.02 0.00 -0.36 0.00 0.00 55.97 57.57 1a1s s LYS 221 Cb 0.00 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 1a1s s LYS 221 CO 0.00 -0.62 0.19 -0.25 -0.36 0.00 0.00 175.35 174.31 1a1s n ASP 222 N 5.69 -5.66 -4.79 1.43 8.00 -0.77 -4.95 116.55 115.50 1a1s n ASP 222 Ca 0.14 -0.08 -0.36 0.00 0.71 0.00 0.00 54.79 55.20 1a1s n ASP 222 Cb 0.44 -4.68 -0.05 0.00 -0.02 0.00 0.00 41.12 36.81 1a1s n ASP 222 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a1s s ALA 223 N -3.03 3.09 -0.08 2.24 0.00 -1.15 -4.54 121.76 118.29 1a1s s ALA 223 Ca 0.10 0.59 -0.10 0.00 0.00 0.00 0.00 51.96 52.56 1a1s s ALA 223 Cb -0.05 -3.23 -0.29 0.00 0.00 0.00 0.00 23.12 19.56 1a1s s ALA 223 CO 0.13 -0.06 0.55 -0.44 0.00 0.00 0.00 175.76 175.94 1a1s h ASP 224 N 2.47 0.53 -3.76 0.00 3.32 -1.70 -1.27 116.42 116.02 1a1s h ASP 224 Ca -0.48 -0.94 -0.33 0.00 0.02 0.00 0.00 57.03 55.30 1a1s h ASP 224 Cb 1.20 -0.17 -0.30 0.00 0.22 0.00 0.00 39.33 40.28 1a1s h ASP 224 CO 0.62 1.80 -0.75 0.54 -1.72 0.00 0.00 179.24 179.74 1a1s s VAL 225 N -2.56 0.33 -0.13 -1.35 0.11 -1.19 -0.02 120.40 115.59 1a1s s VAL 225 Ca -0.19 -0.13 0.01 0.00 -2.93 0.00 0.00 61.98 58.75 1a1s s VAL 225 Cb 0.06 -0.32 -0.00 0.00 -1.53 0.00 0.00 36.38 34.59 1a1s s VAL 225 CO 0.82 0.12 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.91 1a1s s ILE 226 N 0.22 2.59 0.05 7.04 1.01 0.53 -2.09 121.20 130.54 1a1s s ILE 226 Ca -0.02 -0.81 0.08 0.00 0.00 0.00 0.00 60.65 59.90 1a1s s ILE 226 Cb -0.05 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 1a1s s ILE 226 CO -0.00 0.53 -0.24 -0.47 0.00 0.00 0.00 174.94 174.76 1a1s s TYR 227 N 0.55 2.11 0.25 3.97 6.14 -0.32 -1.03 117.35 129.02 1a1s s TYR 227 Ca -0.11 -0.40 -0.08 0.00 0.64 0.00 0.00 57.07 57.13 1a1s s TYR 227 Cb -0.16 -1.26 -0.01 0.00 0.42 0.00 0.00 41.96 40.95 1a1s s TYR 227 CO 0.04 0.11 0.40 -0.08 0.64 0.00 0.00 175.55 176.66 1a1s s THR 228 N -0.81 0.00 0.27 4.34 -1.32 -0.88 -1.38 115.64 115.86 1a1s s THR 228 Ca 0.10 -1.58 -0.12 0.00 -1.21 0.00 0.00 61.69 58.88 1a1s s THR 228 Cb -0.09 -2.35 0.00 0.00 -1.51 0.00 0.00 72.50 68.54 1a1s s THR 228 CO 0.02 0.00 0.52 -0.62 -2.21 0.00 0.00 174.62 172.33 1a1s s ASP 229 N -3.09 0.02 0.88 8.08 2.15 -1.26 -3.91 116.67 119.54 1a1s s ASP 229 Ca 0.28 -0.99 -0.12 0.00 0.43 0.00 0.00 52.55 52.15 1a1s s ASP 229 Cb 0.01 0.63 0.08 0.00 -0.30 0.00 0.00 42.92 43.34 1a1s s ASP 229 CO 0.12 -1.22 0.90 0.55 -0.17 0.00 0.00 175.17 175.35 1a1s n VAL 230 N -0.42 0.72 -4.40 1.11 3.14 -1.26 -4.83 118.33 112.39 1a1s n VAL 230 Ca -0.02 -0.15 -0.24 0.00 -2.96 0.00 0.00 64.34 60.97 1a1s n VAL 230 Cb 0.61 -0.93 -0.09 0.00 -1.06 0.00 0.00 33.84 32.38 1a1s n VAL 230 CO 0.00 0.00 0.00 -1.66 -6.46 0.00 0.00 176.83 168.71 1a1s s TRP 231 N -2.37 2.47 0.20 1.45 -2.14 -1.26 -4.78 118.94 112.51 1a1s s TRP 231 Ca 0.66 -0.35 -0.04 0.00 2.66 0.00 0.00 56.10 59.03 1a1s s TRP 231 Cb -0.25 -1.21 -0.03 0.00 -3.10 0.00 0.00 33.47 28.87 1a1s s TRP 231 CO 0.59 0.62 -0.21 0.00 -2.66 0.00 0.00 176.95 175.28 1a1s n ALA 232 N -0.80 -2.44 -3.30 2.67 0.00 -1.26 -4.17 120.51 111.22 1a1s n ALA 232 Ca -0.05 -0.18 -0.23 0.00 0.00 0.00 0.00 53.44 52.98 1a1s n ALA 232 Cb 0.61 -0.20 -0.00 0.00 0.00 0.00 0.00 19.45 19.85 1a1s n ALA 232 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1a1s n SER 233 N 0.69 -3.88 -4.47 0.00 2.88 -1.26 -4.78 113.62 102.81 1a1s n SER 233 Ca -0.00 -0.35 -0.60 0.00 -1.33 0.00 0.00 58.87 56.58 1a1s n SER 233 Cb 0.12 -3.20 -0.10 0.00 -0.75 0.00 0.00 64.21 60.28 1a1s n SER 233 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1a1s n MET 234 N -3.70 0.33 0.00 -1.46 2.81 -1.26 0.12 117.12 113.96 1a1s n MET 234 Ca -0.03 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 1a1s n MET 234 Cb 0.55 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 1a1s n MET 234 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a1s n GLY 235 N 6.03 0.78 0.34 3.03 0.00 -1.26 -5.01 105.19 109.10 1a1s n GLY 235 Ca 0.43 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 1a1s n GLY 235 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1a1s h GLN 236 N 3.02 -0.49 0.00 1.61 3.07 0.69 -3.49 115.11 119.51 1a1s h GLN 236 Ca 0.00 0.03 0.02 0.00 0.09 0.00 0.00 58.65 58.80 1a1s h GLN 236 Cb 0.00 0.11 -0.01 0.00 0.08 0.00 0.00 27.48 27.67 1a1s h GLN 236 CO 0.00 -0.33 -0.03 0.39 0.09 0.00 0.00 178.83 178.95 1a1s n GLU 237 N -5.42 -0.18 0.02 0.06 1.02 -1.26 -3.53 120.64 111.35 1a1s n GLU 237 Ca -0.06 0.12 0.13 0.00 -0.02 0.00 0.00 57.16 57.33 1a1s n GLU 237 Cb 0.33 -0.22 0.58 0.00 -0.02 0.00 0.00 31.44 32.11 1a1s n GLU 237 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a1s h ALA 238 N -0.91 2.13 -0.20 0.62 0.00 -1.95 0.36 119.26 119.31 1a1s h ALA 238 Ca 0.00 -0.01 -0.71 0.00 0.00 0.00 0.00 54.91 54.19 1a1s h ALA 238 Cb 0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1a1s h ALA 238 CO 0.00 -0.23 3.01 0.39 0.00 0.00 0.00 179.25 182.42 1a1s n GLU 239 N -4.46 3.19 0.00 0.00 4.71 -1.23 -3.04 120.64 119.81 1a1s n GLU 239 Ca 0.07 -2.75 0.00 0.00 -0.01 0.00 0.00 57.16 54.46 1a1s n GLU 239 Cb 0.36 -3.12 0.00 0.00 -1.01 0.00 0.00 31.44 27.67 1a1s n GLU 239 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1a1s n ALA 240 N 5.12 0.00 0.34 0.62 0.00 -1.14 -4.85 120.51 120.61 1a1s n ALA 240 Ca 0.54 0.00 0.04 0.00 0.00 0.00 0.00 53.44 54.02 1a1s n ALA 240 Cb 0.36 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.99 1a1s n ALA 240 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1a1s n GLU 241 N 0.00 2.54 -0.44 0.00 -0.00 0.13 -4.32 120.64 118.54 1a1s n GLU 241 Ca 0.00 -1.48 0.40 0.00 -0.00 0.00 0.00 57.16 56.08 1a1s n GLU 241 Cb 0.00 -1.66 0.75 0.00 -0.00 0.00 0.00 31.44 30.53 1a1s n GLU 241 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1a1s h GLU 242 N 2.05 0.03 -0.57 3.44 4.57 -1.86 0.38 114.58 122.61 1a1s h GLU 242 Ca 0.00 -0.00 0.17 0.00 -1.18 0.00 0.00 59.36 58.34 1a1s h GLU 242 Cb 0.96 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.52 1a1s h GLU 242 CO 0.15 0.02 0.61 0.00 -1.18 0.00 0.00 179.01 178.62 1a1s h ARG 243 N 0.03 0.00 0.51 1.92 -0.00 -1.91 -2.57 114.38 112.37 1a1s h ARG 243 Ca 0.69 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 60.15 1a1s h ARG 243 Cb 2.68 0.00 0.00 0.00 0.00 0.00 0.00 29.97 32.65 1a1s h ARG 243 CO -0.06 0.00 -0.24 -0.09 0.00 0.00 0.00 179.97 179.58 1a1s h ARG 244 N 0.00 -0.66 -0.41 0.04 1.12 -0.61 0.28 114.38 114.15 1a1s h ARG 244 Ca 0.27 0.04 0.07 0.00 -1.11 0.00 0.00 59.98 59.26 1a1s h ARG 244 Cb 1.49 0.15 -0.06 0.00 -0.01 0.00 0.00 29.97 31.54 1a1s h ARG 244 CO -0.00 -0.44 0.03 0.87 -3.11 0.00 0.00 179.97 177.32 1a1s h LYS 245 N -0.68 0.14 0.04 0.20 1.79 -1.67 0.47 116.57 116.86 1a1s h LYS 245 Ca -0.07 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1a1s h LYS 245 Cb 0.52 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1a1s h LYS 245 CO 0.11 0.09 -0.02 0.97 -1.08 0.00 0.00 179.45 179.53 1a1s h ILE 246 N 0.14 1.28 0.01 1.86 2.10 -1.59 -3.34 117.51 117.96 1a1s h ILE 246 Ca 0.20 -1.10 -0.20 0.00 1.08 0.00 0.00 64.86 64.84 1a1s h ILE 246 Cb 0.27 2.00 -0.01 0.00 -1.09 0.00 0.00 36.82 37.99 1a1s h ILE 246 CO -0.31 0.27 -0.89 -0.26 -1.08 0.00 0.00 178.15 175.88 1a1s h PHE 247 N -0.55 0.30 -0.91 2.19 0.04 -0.34 -3.36 116.94 114.31 1a1s h PHE 247 Ca -0.01 -0.17 0.28 0.00 2.80 0.00 0.00 57.97 60.88 1a1s h PHE 247 Cb 0.49 -0.03 -0.17 0.00 2.20 0.00 0.00 35.95 38.44 1a1s h PHE 247 CO 0.09 0.99 0.13 -2.13 -0.60 0.00 0.00 178.31 176.78 1a1s n ARG 248 N -3.65 -0.07 0.22 1.51 0.00 0.16 0.92 116.66 115.75 1a1s n ARG 248 Ca -0.04 1.34 0.12 0.00 -0.00 0.00 0.00 57.85 59.28 1a1s n ARG 248 Cb 0.82 -2.19 0.73 0.00 0.00 0.00 0.00 32.46 31.81 1a1s n ARG 248 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1a1s h PRO 249 N 0.00 0.00 0.00 -0.14 0.11 -1.77 -1.94 132.00 128.26 1a1s h PRO 249 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 1a1s h PRO 249 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1a1s h PRO 249 CO -0.82 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.16 1a1s n PHE 250 N -4.28 0.32 -1.69 0.65 3.72 0.26 -4.91 117.46 111.53 1a1s n PHE 250 Ca -0.00 0.10 -0.56 0.00 -0.05 0.00 0.00 57.45 56.94 1a1s n PHE 250 Cb 0.20 -0.66 -0.07 0.00 -0.94 0.00 0.00 39.48 38.02 1a1s n PHE 250 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1a1s n GLN 251 N -1.77 1.25 -2.19 -1.08 7.27 -0.73 -4.84 117.38 115.30 1a1s n GLN 251 Ca 0.06 0.46 -0.43 0.00 0.07 0.00 0.00 57.00 57.16 1a1s n GLN 251 Cb 0.35 -2.15 -0.02 0.00 2.41 0.00 0.00 30.24 30.83 1a1s n GLN 251 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1a1s s VAL 252 N 2.97 3.80 0.34 1.69 1.01 0.15 -4.82 120.40 125.54 1a1s s VAL 252 Ca 0.95 0.91 0.03 0.00 0.00 0.00 0.00 61.98 63.86 1a1s s VAL 252 Cb -1.01 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 31.55 1a1s s VAL 252 CO 0.61 -0.33 0.37 0.54 0.00 0.00 0.00 175.10 176.29 1a1s s ASN 253 N 3.86 1.33 0.30 3.32 2.20 -1.26 -2.76 114.94 121.93 1a1s s ASN 253 Ca 0.68 -1.64 0.06 0.00 -0.94 0.00 0.00 52.86 51.02 1a1s s ASN 253 Cb -0.23 0.61 0.82 0.00 -2.00 0.00 0.00 41.25 40.45 1a1s s ASN 253 CO 0.28 -1.18 1.67 0.11 -2.94 0.00 0.00 177.10 175.03 1a1s h LYS 254 N 2.12 0.30 0.07 3.55 1.79 -1.95 -1.05 116.57 121.40 1a1s h LYS 254 Ca -0.27 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1a1s h LYS 254 Cb 1.24 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1a1s h LYS 254 CO 0.38 0.20 -0.04 -0.44 -1.08 0.00 0.00 179.45 178.47 1a1s h ASP 255 N 0.31 -0.08 0.09 0.86 3.32 -1.96 -2.79 116.42 116.16 1a1s h ASP 255 Ca 0.61 -0.47 0.02 0.00 0.02 0.00 0.00 57.03 57.21 1a1s h ASP 255 Cb 1.25 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.78 1a1s h ASP 255 CO -0.60 0.46 -0.35 0.25 -1.72 0.00 0.00 179.24 177.28 1a1s h LEU 256 N -0.66 -1.02 -1.62 1.55 5.85 -1.73 -1.25 115.31 116.42 1a1s h LEU 256 Ca -0.01 0.12 0.30 0.00 0.84 0.00 0.00 57.88 59.12 1a1s h LEU 256 Cb 0.55 0.39 -0.07 0.00 0.37 0.00 0.00 40.66 41.89 1a1s h LEU 256 CO 0.02 -0.43 0.73 0.58 -0.34 0.00 0.00 178.44 179.00 1a1s h VAL 257 N -0.56 0.48 0.00 1.05 2.07 -1.31 -0.70 116.25 117.28 1a1s h VAL 257 Ca 0.04 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1a1s h VAL 257 Cb 0.60 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1a1s h VAL 257 CO -0.22 0.04 0.20 0.50 0.02 0.00 0.00 177.57 178.11 1a1s h LYS 258 N 0.22 0.00 0.00 1.57 3.64 -0.93 0.24 116.57 121.32 1a1s h LYS 258 Ca 0.58 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 1a1s h LYS 258 Cb 1.80 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.62 1a1s h LYS 258 CO -0.18 0.00 -0.48 0.45 -2.27 0.00 0.00 179.45 176.97 1a1s h HIS 259 N 0.00 0.00 -4.09 1.91 3.86 -1.25 -3.47 115.15 112.11 1a1s h HIS 259 Ca 0.00 0.00 -0.45 0.00 -1.16 0.00 0.00 60.37 58.76 1a1s h HIS 259 Cb 0.40 0.00 0.15 0.00 1.06 0.00 0.00 27.41 29.02 1a1s h HIS 259 CO 0.00 0.00 0.38 0.00 0.86 0.00 0.00 177.93 179.17 1a1s s ALA 260 N -3.22 2.08 0.76 2.45 0.00 0.07 -1.84 121.76 122.05 1a1s s ALA 260 Ca 0.05 -1.02 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 1a1s s ALA 260 Cb 0.10 -2.84 0.05 0.00 0.00 0.00 0.00 23.12 20.43 1a1s s ALA 260 CO 0.71 -2.42 1.15 0.15 0.00 0.00 0.00 175.76 175.34 1a1s s LYS 261 N -5.73 2.12 0.34 0.00 1.02 -0.48 -4.66 119.74 112.35 1a1s s LYS 261 Ca 0.71 1.51 0.02 0.00 0.02 0.00 0.00 55.97 58.22 1a1s s LYS 261 Cb -0.07 -1.86 0.61 0.00 -0.52 0.00 0.00 37.83 36.00 1a1s s LYS 261 CO 0.53 -1.80 2.00 -1.35 -0.92 0.00 0.00 175.35 173.80 1a1s h PRO 262 N -0.68 0.85 -1.41 -1.68 0.11 -1.95 -2.33 132.00 124.90 1a1s h PRO 262 Ca -0.46 -0.06 -0.72 0.00 0.11 0.00 0.00 66.00 64.88 1a1s h PRO 262 Cb 1.26 -0.19 -0.28 0.00 0.11 0.00 0.00 31.00 31.91 1a1s h PRO 262 CO 0.50 0.57 0.96 -0.40 -0.21 0.00 0.00 178.00 179.42 1a1s n ASP 263 N -4.43 7.64 -4.88 -2.05 5.68 -1.26 -5.00 116.55 112.26 1a1s n ASP 263 Ca 0.06 -3.81 -0.30 0.00 -0.50 0.00 0.00 54.79 50.24 1a1s n ASP 263 Cb 0.05 -1.02 0.01 0.00 -1.14 0.00 0.00 41.12 39.03 1a1s n ASP 263 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 1a1s s TYR 264 N -3.93 3.58 -0.10 2.11 1.13 -0.88 -4.93 117.35 114.32 1a1s s TYR 264 Ca 0.60 1.19 0.01 0.00 -1.41 0.00 0.00 57.07 57.45 1a1s s TYR 264 Cb 0.48 -2.71 -0.02 0.00 -1.10 0.00 0.00 41.96 38.61 1a1s s TYR 264 CO -0.18 -0.70 -0.12 -1.64 -2.51 0.00 0.00 175.55 170.40 1a1s s MET 265 N -5.14 3.09 -0.22 -3.49 -1.94 0.98 -4.79 119.30 107.79 1a1s s MET 265 Ca 0.54 -0.66 -0.10 0.00 -1.71 0.00 0.00 55.69 53.76 1a1s s MET 265 Cb -0.11 -2.57 -0.05 0.00 2.01 0.00 0.00 34.83 34.11 1a1s s MET 265 CO 0.52 0.38 0.13 0.12 -0.01 0.00 0.00 175.02 176.16 1a1s s PHE 266 N -0.07 3.33 0.12 -0.03 5.36 -0.28 -0.35 117.98 126.06 1a1s s PHE 266 Ca -0.02 0.21 0.09 0.00 -0.96 0.00 0.00 56.93 56.25 1a1s s PHE 266 Cb -0.14 -2.20 -0.04 0.00 -0.34 0.00 0.00 43.02 40.30 1a1s s PHE 266 CO 0.04 0.14 -0.21 -1.64 -1.46 0.00 0.00 175.22 172.08 1a1s s MET 267 N 0.75 1.20 -0.26 10.12 -1.94 -0.20 -1.83 119.30 127.14 1a1s s MET 267 Ca 0.07 -1.25 -0.23 0.00 -1.71 0.00 0.00 55.69 52.57 1a1s s MET 267 Cb -0.13 -1.43 0.07 0.00 2.01 0.00 0.00 34.83 35.35 1a1s s MET 267 CO 0.02 0.32 0.69 -1.58 -0.01 0.00 0.00 175.02 174.46 1a1s s HIS 268 N -1.40 -0.78 -2.12 -0.03 2.46 -1.26 -2.08 115.29 110.08 1a1s s HIS 268 Ca 0.10 1.87 0.22 0.00 0.47 0.00 0.00 55.06 57.72 1a1s s HIS 268 Cb -0.09 0.29 1.13 0.00 -0.13 0.00 0.00 32.58 33.78 1a1s s HIS 268 CO 0.05 -0.38 1.75 0.00 -2.47 0.00 0.00 174.74 173.69 1a1s n LEU 270 N -0.44 -1.32 -4.78 0.00 4.77 -1.26 -5.01 117.00 108.96 1a1s n LEU 270 Ca 0.16 2.55 -0.34 0.00 -0.03 0.00 0.00 56.01 58.36 1a1s n LEU 270 Cb 0.17 -3.09 0.01 0.00 -2.33 0.00 0.00 43.42 38.17 1a1s n LEU 270 CO 0.13 -1.40 0.75 -2.16 -1.33 0.00 0.00 177.39 173.37 1a1s s PRO 271 N -4.91 3.32 0.05 3.23 0.04 -1.26 -5.00 135.00 130.47 1a1s s PRO 271 Ca 0.00 1.44 -0.00 0.00 0.04 0.00 0.00 61.00 62.48 1a1s s PRO 271 Cb 0.00 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1a1s s PRO 271 CO 0.00 -0.85 0.20 0.00 0.04 0.00 0.00 177.00 176.39 1a1s s ALA 272 N -2.06 3.98 -0.73 8.56 0.00 -1.26 -4.54 121.76 125.71 1a1s s ALA 272 Ca 0.69 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.85 1a1s s ALA 272 Cb -0.20 -1.83 0.21 0.00 0.00 0.00 0.00 23.12 21.30 1a1s s ALA 272 CO 0.30 0.81 0.66 0.72 0.00 0.00 0.00 175.76 178.26 1a1s n HIS 273 N 0.42 3.51 -1.70 0.00 8.25 -1.26 -5.05 115.22 119.39 1a1s n HIS 273 Ca -0.06 -4.17 -0.54 0.00 -0.26 0.00 0.00 57.72 52.69 1a1s n HIS 273 Cb 0.51 -0.71 -0.06 0.00 1.12 0.00 0.00 29.99 30.85 1a1s n HIS 273 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1a1s n ARG 274 N 1.62 1.58 0.00 -0.41 1.74 -1.26 -0.64 116.66 119.29 1a1s n ARG 274 Ca 0.24 0.58 0.00 0.00 -0.77 0.00 0.00 57.85 57.90 1a1s n ARG 274 Cb 0.37 -2.34 0.00 0.00 -1.02 0.00 0.00 32.46 29.47 1a1s n ARG 274 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a1s n GLY 275 N 4.33 1.48 0.00 -0.13 0.00 0.11 -4.96 105.19 106.02 1a1s n GLY 275 Ca 0.25 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1a1s n GLY 275 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a1s n GLU 276 N 0.00 0.00 0.28 1.61 1.02 0.19 -4.75 120.64 118.99 1a1s n GLU 276 Ca 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.30 1a1s n GLU 276 Cb 0.00 0.00 0.85 0.00 -0.02 0.00 0.00 31.44 32.27 1a1s n GLU 276 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1a1s h GLU 277 N 0.00 0.00 -3.54 3.49 9.09 -1.88 -3.43 114.58 118.31 1a1s h GLU 277 Ca 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.31 1a1s h GLU 277 Cb 0.00 0.00 -0.17 0.00 -1.65 0.00 0.00 28.75 26.93 1a1s h GLU 277 CO 0.00 0.06 -0.35 0.54 0.05 0.00 0.00 179.01 179.31 1a1s s VAL 278 N -4.19 0.11 0.28 -1.06 0.11 -1.26 0.29 120.40 114.68 1a1s s VAL 278 Ca -0.03 -0.88 0.09 0.00 -2.93 0.00 0.00 61.98 58.22 1a1s s VAL 278 Cb 0.13 -0.98 -0.04 0.00 -1.53 0.00 0.00 36.38 33.96 1a1s s VAL 278 CO 0.54 -0.49 0.09 0.42 -3.33 0.00 0.00 175.10 172.33 1a1s s THR 279 N -2.75 3.68 0.25 5.04 -4.23 -1.11 0.07 115.64 116.59 1a1s s THR 279 Ca -0.04 -1.71 -0.05 0.00 -1.18 0.00 0.00 61.69 58.71 1a1s s THR 279 Cb -0.00 -3.04 0.25 0.00 1.34 0.00 0.00 72.50 71.05 1a1s s THR 279 CO -0.05 -0.33 1.67 0.44 -0.54 0.00 0.00 174.62 175.81 1a1s h ASP 280 N 1.70 -0.07 -0.89 3.99 5.19 -1.94 -0.88 116.42 123.52 1a1s h ASP 280 Ca -0.45 0.16 0.18 0.00 -0.62 0.00 0.00 57.03 56.30 1a1s h ASP 280 Cb 1.25 0.24 -0.07 0.00 0.18 0.00 0.00 39.33 40.93 1a1s h ASP 280 CO 0.61 -0.08 0.58 0.44 -3.12 0.00 0.00 179.24 177.67 1a1s h ASP 281 N 0.22 0.48 0.00 6.45 3.32 -1.95 -1.78 116.42 123.17 1a1s h ASP 281 Ca 0.43 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.52 1a1s h ASP 281 Cb 0.75 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1a1s h ASP 281 CO -0.56 0.21 -0.13 0.58 -1.72 0.00 0.00 179.24 177.62 1a1s h VAL 282 N 0.49 0.00 -0.49 -1.35 2.07 -1.51 -2.47 116.25 112.99 1a1s h VAL 282 Ca 0.46 -0.89 0.14 0.00 0.82 0.00 0.00 66.70 67.24 1a1s h VAL 282 Cb 1.02 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1a1s h VAL 282 CO -0.19 0.00 0.42 0.16 0.02 0.00 0.00 177.57 177.98 1a1s h ILE 283 N -0.89 0.53 -0.04 4.57 3.07 -1.52 0.20 117.51 123.43 1a1s h ILE 283 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1a1s h ILE 283 Cb 0.13 0.69 0.00 0.00 -0.27 0.00 0.00 36.82 37.37 1a1s h ILE 283 CO 0.00 0.00 0.00 0.47 -1.05 0.00 0.00 178.15 177.57 1a1s n ASP 284 N -4.03 2.73 -4.78 2.16 8.00 -0.67 -4.68 116.55 115.29 1a1s n ASP 284 Ca 0.09 -1.85 -0.34 0.00 0.71 0.00 0.00 54.79 53.40 1a1s n ASP 284 Cb 0.63 -0.01 0.01 0.00 -0.02 0.00 0.00 41.12 41.73 1a1s n ASP 284 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1a1s s SER 285 N -1.68 5.63 0.00 -2.24 1.04 0.69 -4.85 113.70 112.30 1a1s s SER 285 Ca 0.24 2.02 0.04 0.00 0.48 0.00 0.00 55.95 58.73 1a1s s SER 285 Cb 0.17 -2.56 0.26 0.00 0.10 0.00 0.00 66.02 63.99 1a1s s SER 285 CO 0.26 -1.27 0.63 -0.81 0.98 0.00 0.00 173.24 173.02 1a1s n PRO 286 N -1.74 0.21 0.03 4.02 -0.04 -1.26 -0.00 135.00 136.21 1a1s n PRO 286 Ca 0.10 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.68 1a1s n PRO 286 Cb 0.52 -1.32 0.04 0.00 -0.04 0.00 0.00 33.50 32.70 1a1s n PRO 286 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1a1s n ASN 287 N -0.82 0.62 -4.77 3.54 4.13 -1.26 -4.91 115.26 111.80 1a1s n ASN 287 Ca 0.03 -0.22 -0.38 0.00 1.68 0.00 0.00 54.58 55.69 1a1s n ASN 287 Cb 0.01 0.73 -0.01 0.00 -1.54 0.00 0.00 39.78 38.97 1a1s n ASN 287 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1a1s s SER 288 N -3.86 6.38 -0.01 6.41 0.15 1.00 -1.12 113.70 122.64 1a1s s SER 288 Ca 0.04 2.39 0.01 0.00 0.70 0.00 0.00 55.95 59.10 1a1s s SER 288 Cb 0.15 -2.62 0.02 0.00 -1.71 0.00 0.00 66.02 61.86 1a1s s SER 288 CO 0.79 -0.78 0.85 0.55 1.20 0.00 0.00 173.24 175.85 1a1s n VAL 289 N -0.07 0.16 0.09 4.45 3.14 -0.76 -4.85 118.33 120.49 1a1s n VAL 289 Ca 0.05 -0.19 0.18 0.00 -2.96 0.00 0.00 64.34 61.43 1a1s n VAL 289 Cb 0.46 0.61 0.73 0.00 -1.06 0.00 0.00 33.84 34.58 1a1s n VAL 289 CO 0.00 0.00 0.00 -0.37 -6.46 0.00 0.00 176.83 170.00 1a1s h VAL 290 N 5.00 0.64 0.11 1.55 -1.51 -1.88 -1.85 116.25 118.30 1a1s h VAL 290 Ca 0.00 0.00 -0.32 0.00 -1.23 0.00 0.00 66.70 65.15 1a1s h VAL 290 Cb 1.21 0.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.13 1a1s h VAL 290 CO 0.00 0.00 -1.68 -0.50 -1.23 0.00 0.00 177.57 174.16 1a1s h TRP 291 N 0.00 0.41 -0.53 5.19 6.55 -1.93 -1.12 115.95 124.50 1a1s h TRP 291 Ca 0.18 -0.30 -0.10 0.00 0.95 0.00 0.00 58.89 59.62 1a1s h TRP 291 Cb 0.79 -0.02 -0.02 0.00 -0.86 0.00 0.00 29.16 29.05 1a1s h TRP 291 CO 0.00 1.43 -0.07 -0.44 -1.05 0.00 0.00 178.44 178.31 1a1s h ASP 292 N 0.06 0.96 -0.79 -3.49 3.32 -1.91 0.28 116.42 114.86 1a1s h ASP 292 Ca -0.30 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 56.41 1a1s h ASP 292 Cb 2.03 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 41.28 1a1s h ASP 292 CO 0.13 1.06 0.30 -0.61 -1.72 0.00 0.00 179.24 178.41 1a1s h GLN 293 N 0.88 1.18 -0.31 3.56 4.15 -1.40 -0.32 115.11 122.86 1a1s h GLN 293 Ca 0.15 -0.22 -0.07 0.00 0.77 0.00 0.00 58.65 59.27 1a1s h GLN 293 Cb 0.61 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 1a1s h GLN 293 CO 0.04 0.96 -0.09 0.00 -1.93 0.00 0.00 178.83 177.82 1a1s h ALA 294 N 1.18 0.42 -0.78 3.38 0.00 -0.20 -3.05 119.26 120.21 1a1s h ALA 294 Ca 0.26 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1a1s h ALA 294 Cb 0.23 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1a1s h ALA 294 CO -0.02 0.26 0.47 1.49 0.00 0.00 0.00 179.25 181.46 1a1s h GLU 295 N 0.37 0.85 0.00 0.00 4.81 0.02 -1.76 114.58 118.87 1a1s h GLU 295 Ca 0.08 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1a1s h GLU 295 Cb 0.58 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1a1s h GLU 295 CO 0.03 0.56 0.00 0.09 -0.73 0.00 0.00 179.01 178.97 1a1s n ASN 296 N -4.67 0.00 0.05 1.04 3.02 -0.18 -0.44 115.26 114.09 1a1s n ASN 296 Ca 0.10 0.06 -0.09 0.00 -0.03 0.00 0.00 54.58 54.63 1a1s n ASN 296 Cb 0.15 -0.15 0.05 0.00 -0.61 0.00 0.00 39.78 39.23 1a1s n ASN 296 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1a1s h ARG 297 N 0.00 0.40 0.33 3.52 2.47 -1.40 -1.59 114.38 118.11 1a1s h ARG 297 Ca 0.00 -0.30 -0.02 0.00 -1.26 0.00 0.00 59.98 58.41 1a1s h ARG 297 Cb 0.02 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1a1s h ARG 297 CO 0.00 0.92 -0.16 1.25 0.56 0.00 0.00 179.97 182.54 1a1s h LEU 298 N 0.28 -0.38 -0.13 3.04 5.85 -0.91 -2.42 115.31 120.65 1a1s h LEU 298 Ca -0.02 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1a1s h LEU 298 Cb 1.22 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 1a1s h LEU 298 CO 0.11 -0.00 0.08 0.45 -0.34 0.00 0.00 178.44 178.74 1a1s h HIS 299 N -0.81 0.17 -0.57 1.25 3.86 -1.61 0.38 115.15 117.82 1a1s h HIS 299 Ca -0.05 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1a1s h HIS 299 Cb 0.52 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.90 1a1s h HIS 299 CO 0.02 0.14 0.34 0.00 0.86 0.00 0.00 177.93 179.29 1a1s h ALA 300 N 1.01 0.73 0.00 2.45 0.00 -1.37 -1.51 119.26 120.57 1a1s h ALA 300 Ca 0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1a1s h ALA 300 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1a1s h ALA 300 CO -0.01 0.06 -0.39 1.96 0.00 0.00 0.00 179.25 180.87 1a1s h GLN 301 N 0.67 0.00 -0.43 0.00 4.20 -1.25 -2.01 115.11 116.30 1a1s h GLN 301 Ca 0.23 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.84 1a1s h GLN 301 Cb 0.03 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1a1s h GLN 301 CO -0.10 0.39 -0.15 -0.22 -0.67 0.00 0.00 178.83 178.08 1a1s h LYS 302 N 0.00 0.79 -0.33 1.46 3.64 -0.20 -2.39 116.57 119.54 1a1s h LYS 302 Ca -0.00 -0.28 -0.17 0.00 -1.27 0.00 0.00 60.65 58.92 1a1s h LYS 302 Cb 0.99 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1a1s h LYS 302 CO 0.05 0.89 -0.47 0.00 -2.27 0.00 0.00 179.45 177.65 1a1s h ALA 303 N 1.13 0.50 -0.26 5.00 0.00 -0.66 -2.54 119.26 122.44 1a1s h ALA 303 Ca 0.11 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1a1s h ALA 303 Cb 0.64 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1a1s h ALA 303 CO 0.04 0.67 -0.32 -0.39 0.00 0.00 0.00 179.25 179.26 1a1s h VAL 304 N 0.71 1.28 -0.18 0.00 -1.51 -1.25 0.02 116.25 115.32 1a1s h VAL 304 Ca 0.03 -1.41 -0.04 0.00 -1.23 0.00 0.00 66.70 64.06 1a1s h VAL 304 Cb 1.08 1.43 -0.01 0.00 -2.13 0.00 0.00 31.29 31.66 1a1s h VAL 304 CO 0.11 0.45 -0.03 -0.07 -1.23 0.00 0.00 177.57 176.80 1a1s h LEU 305 N 0.46 0.33 -0.64 4.19 3.38 -1.43 0.12 115.31 121.73 1a1s h LEU 305 Ca 0.06 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 1a1s h LEU 305 Cb 0.78 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1a1s h LEU 305 CO 0.06 0.61 0.31 0.00 0.09 0.00 0.00 178.44 179.51 1a1s h ALA 306 N 0.74 0.82 -0.14 1.53 0.00 -1.35 0.12 119.26 120.99 1a1s h ALA 306 Ca 0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1a1s h ALA 306 Cb 0.45 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1a1s h ALA 306 CO 0.01 0.38 -0.03 -0.07 0.00 0.00 0.00 179.25 179.54 1a1s h LEU 307 N 0.88 0.26 0.00 0.00 4.07 -0.84 0.53 115.31 120.21 1a1s h LEU 307 Ca 0.22 -0.37 0.00 0.00 0.08 0.00 0.00 57.88 57.81 1a1s h LEU 307 Cb 0.11 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1a1s h LEU 307 CO -0.03 0.57 -0.31 1.33 -1.08 0.00 0.00 178.44 178.92 1a1s n VAL 308 N -4.72 0.34 -0.05 1.22 0.24 0.39 -3.42 118.33 112.34 1a1s n VAL 308 Ca -0.06 -0.20 -0.06 0.00 -2.04 0.00 0.00 64.34 61.98 1a1s n VAL 308 Cb 0.25 -0.28 -0.06 0.00 -1.47 0.00 0.00 33.84 32.28 1a1s n VAL 308 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1a1s n MET 309 N -2.00 1.49 -0.25 7.34 2.81 0.42 -1.81 117.12 125.12 1a1s n MET 309 Ca 0.05 0.03 -0.08 0.00 -1.81 0.00 0.00 57.70 55.89 1a1s n MET 309 Cb 0.41 -1.22 0.04 0.00 -0.71 0.00 0.00 33.22 31.74 1a1s n MET 309 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1a1s h GLY 310 N 1.28 1.19 -7.62 3.03 0.00 0.04 -3.32 103.07 97.67 1a1s h GLY 310 Ca -0.24 -0.76 -0.52 0.00 0.00 0.00 0.00 47.33 45.82 1a1s h GLY 310 CO -0.01 0.70 1.70 0.61 0.00 0.00 0.00 176.54 179.54 1a1s n GLY 311 N -0.65 1.88 3.91 4.60 0.00 -1.22 -4.93 105.19 108.78 1a1s n GLY 311 Ca 0.05 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 1a1s n GLY 311 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1a1s s ILE 312 N 7.43 5.28 0.00 -0.61 -4.36 -1.25 -4.38 121.20 123.31 1a1s s ILE 312 Ca 0.61 -0.18 0.00 0.00 -0.26 0.00 0.00 60.65 60.82 1a1s s ILE 312 Cb 0.02 -3.63 0.00 0.00 1.25 0.00 0.00 42.46 40.10 1a1s s ILE 312 CO 0.10 0.09 0.00 2.29 0.24 0.00 0.00 174.94 177.66