#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s72 s ARG 2 N 0.00 2.93 0.36 1.61 0.52 -0.20 -5.05 118.95 119.13 1s72 s ARG 2 Ca 0.00 -1.12 -0.28 0.00 -0.52 0.00 0.00 55.73 53.81 1s72 s ARG 2 Cb 0.00 -2.61 -0.10 0.00 0.52 0.00 0.00 34.95 32.76 1s72 s ARG 2 CO 0.00 0.22 1.37 1.03 0.02 0.00 0.00 175.30 177.93 1s72 s ARG 3 N -3.98 4.19 0.63 3.54 1.81 -1.26 -4.78 118.95 119.10 1s72 s ARG 3 Ca 0.39 2.33 -0.10 0.00 -1.72 0.00 0.00 55.73 56.62 1s72 s ARG 3 Cb -0.07 -2.97 -0.01 0.00 -0.45 0.00 0.00 34.95 31.44 1s72 s ARG 3 CO 0.27 -0.37 1.02 0.96 -0.68 0.00 0.00 175.30 176.50 1s72 s ILE 4 N -1.16 4.18 0.29 1.52 -4.36 -1.26 -4.84 121.20 115.57 1s72 s ILE 4 Ca 0.52 0.58 0.04 0.00 -0.26 0.00 0.00 60.65 61.53 1s72 s ILE 4 Cb -0.42 -3.68 0.29 0.00 1.25 0.00 0.00 42.46 39.90 1s72 s ILE 4 CO 0.56 -0.86 1.70 -0.61 0.24 0.00 0.00 174.94 175.97 1s72 h GLN 5 N -0.37 0.43 -0.03 0.37 4.15 -1.94 0.34 115.11 118.05 1s72 h GLN 5 Ca -0.45 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 58.96 1s72 h GLN 5 Cb 1.22 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.81 1s72 h GLN 5 CO 0.62 0.28 0.07 0.78 -1.93 0.00 0.00 178.83 178.65 1s72 h GLY 6 N 0.44 0.00 1.20 2.39 0.00 -1.99 -0.55 103.07 104.56 1s72 h GLY 6 Ca 0.57 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.60 1s72 h GLY 6 CO -0.51 0.00 -1.56 1.46 0.00 0.00 0.00 176.54 175.93 1s72 h GLN 7 N 0.00 0.14 -0.43 4.80 4.20 -0.68 -3.30 115.11 119.84 1s72 h GLN 7 Ca 0.02 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.46 1s72 h GLN 7 Cb 0.15 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1s72 h GLN 7 CO -0.00 0.91 0.11 0.00 -0.67 0.00 0.00 178.83 179.18 1s72 h ARG 8 N 0.04 0.64 -0.22 1.46 -0.00 -0.73 -3.19 114.38 112.37 1s72 h ARG 8 Ca -0.24 -0.11 0.06 0.00 -0.50 0.00 0.00 59.98 59.18 1s72 h ARG 8 Cb 1.98 -0.11 -0.07 0.00 0.00 0.00 0.00 29.97 31.77 1s72 h ARG 8 CO 0.12 0.58 -0.35 0.00 0.00 0.00 0.00 179.97 180.32 1s72 h ARG 9 N 0.62 -0.36 -0.69 0.04 3.08 -1.47 -2.81 114.38 112.79 1s72 h ARG 9 Ca 0.14 0.02 0.20 0.00 0.07 0.00 0.00 59.98 60.42 1s72 h ARG 9 Cb 0.23 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 1s72 h ARG 9 CO -0.00 -0.24 0.55 0.78 -1.07 0.00 0.00 179.97 179.98 1s72 h GLY 10 N -0.37 0.00 2.00 0.04 0.00 -1.68 -1.46 103.07 101.60 1s72 h GLY 10 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1s72 h GLY 10 CO -0.43 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.65 1s72 n ARG 11 N -4.12 0.04 -2.44 4.80 1.74 -1.06 -4.86 116.66 110.76 1s72 n ARG 11 Ca 0.14 0.43 -0.17 0.00 -0.77 0.00 0.00 57.85 57.48 1s72 n ARG 11 Cb 0.81 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 1s72 n ARG 11 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s72 n GLY 12 N -0.86 -0.30 3.77 -0.13 0.00 -0.55 -5.01 105.19 102.12 1s72 n GLY 12 Ca 0.01 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1s72 n GLY 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s72 s THR 13 N -2.87 2.46 0.22 2.61 -4.23 -1.26 -4.73 115.64 107.83 1s72 s THR 13 Ca 0.06 0.15 -0.15 0.00 -1.18 0.00 0.00 61.69 60.57 1s72 s THR 13 Cb -0.02 -2.84 0.26 0.00 1.34 0.00 0.00 72.50 71.23 1s72 s THR 13 CO 0.07 -0.19 1.59 -1.28 -0.54 0.00 0.00 174.62 174.27 1s72 h SER 14 N -1.40 -0.92 -0.95 3.99 0.87 -1.95 -0.59 113.55 112.60 1s72 h SER 14 Ca -0.50 0.24 0.23 0.00 -1.23 0.00 0.00 61.79 60.54 1s72 h SER 14 Cb 1.30 0.54 -0.07 0.00 -0.44 0.00 0.00 62.40 63.73 1s72 h SER 14 CO 0.60 -0.27 0.64 0.74 -0.53 0.00 0.00 176.83 178.00 1s72 h THR 15 N -0.05 0.61 -0.00 2.23 2.02 -1.99 -2.21 112.91 113.51 1s72 h THR 15 Ca 0.33 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1s72 h THR 15 Cb 0.57 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1s72 h THR 15 CO -0.78 0.06 -0.87 0.49 0.37 0.00 0.00 175.52 174.78 1s72 n PHE 16 N -4.49 0.00 -2.28 3.16 3.01 -0.27 -4.43 117.46 112.18 1s72 n PHE 16 Ca 0.21 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.35 1s72 n PHE 16 Cb 0.81 -0.03 -0.02 0.00 -0.01 0.00 0.00 39.48 40.23 1s72 n PHE 16 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1s72 s ARG 17 N -2.94 3.82 0.34 -1.08 0.52 -0.83 -3.99 118.95 114.79 1s72 s ARG 17 Ca 0.10 0.95 -0.21 0.00 -0.52 0.00 0.00 55.73 56.05 1s72 s ARG 17 Cb 0.16 -2.11 -0.10 0.00 0.52 0.00 0.00 34.95 33.42 1s72 s ARG 17 CO 0.81 -0.38 0.87 0.00 0.02 0.00 0.00 175.30 176.62 1s72 s ALA 18 N -2.69 3.22 -0.87 2.13 0.00 -1.26 -4.34 121.76 117.94 1s72 s ALA 18 Ca 0.59 0.33 -0.06 0.00 0.00 0.00 0.00 51.96 52.82 1s72 s ALA 18 Cb -0.11 -3.03 -0.09 0.00 0.00 0.00 0.00 23.12 19.89 1s72 s ALA 18 CO 0.35 0.22 2.45 -0.35 0.00 0.00 0.00 175.76 178.43 1s72 n PRO 19 N 0.05 2.31 -0.33 0.00 -0.04 -1.26 -4.71 135.00 131.03 1s72 n PRO 19 Ca 0.03 -1.46 0.25 0.00 -0.04 0.00 0.00 63.50 62.28 1s72 n PRO 19 Cb 0.52 -2.39 0.48 0.00 -0.04 0.00 0.00 33.50 32.06 1s72 n PRO 19 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1s72 h SER 20 N 5.43 0.17 0.22 3.54 0.02 -1.96 0.46 113.55 121.43 1s72 h SER 20 Ca 0.50 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.69 1s72 h SER 20 Cb 0.40 0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1s72 h SER 20 CO 1.26 -0.33 0.00 0.00 -1.14 0.00 0.00 176.83 176.62 1s72 n HIS 21 N -5.26 0.75 1.04 3.45 1.44 -1.26 -0.97 115.22 114.41 1s72 n HIS 21 Ca 0.32 0.36 0.12 0.00 -2.01 0.00 0.00 57.72 56.51 1s72 n HIS 21 Cb 1.06 -1.08 0.11 0.00 0.12 0.00 0.00 29.99 30.20 1s72 n HIS 21 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1s72 n ARG 22 N -2.24 1.96 -2.71 -1.40 1.74 0.16 -4.96 116.66 109.21 1s72 n ARG 22 Ca -0.00 -1.59 -0.31 0.00 -0.77 0.00 0.00 57.85 55.17 1s72 n ARG 22 Cb 0.09 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 1s72 n ARG 22 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1s72 s TYR 23 N -2.14 3.46 -0.06 -1.55 4.12 -0.14 -4.90 117.35 116.14 1s72 s TYR 23 Ca 0.26 1.21 -0.03 0.00 0.02 0.00 0.00 57.07 58.53 1s72 s TYR 23 Cb 0.20 -2.58 -0.01 0.00 -1.52 0.00 0.00 41.96 38.05 1s72 s TYR 23 CO 0.38 -0.19 -0.06 0.87 0.02 0.00 0.00 175.55 176.57 1s72 h LYS 24 N 1.19 0.00 -3.76 -0.62 1.57 -1.93 -3.50 116.57 109.52 1s72 h LYS 24 Ca -0.47 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.19 1s72 h LYS 24 Cb 1.19 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.32 1s72 h LYS 24 CO 0.63 0.00 -0.49 0.00 -0.57 0.00 0.00 179.45 179.02 1s72 s ALA 25 N -2.87 -0.12 -0.82 3.86 0.00 -1.26 -5.09 121.76 115.46 1s72 s ALA 25 Ca -0.05 -0.52 -0.17 0.00 0.00 0.00 0.00 51.96 51.22 1s72 s ALA 25 Cb 0.01 0.27 0.15 0.00 0.00 0.00 0.00 23.12 23.55 1s72 s ALA 25 CO 0.07 -0.34 0.93 0.34 0.00 0.00 0.00 175.76 176.76 1s72 s ASP 26 N -2.19 6.56 -0.22 0.00 -1.08 -1.26 -5.00 116.67 113.48 1s72 s ASP 26 Ca -0.04 -2.08 -0.30 0.00 -0.52 0.00 0.00 52.55 49.61 1s72 s ASP 26 Cb -0.00 -2.32 -0.07 0.00 -1.46 0.00 0.00 42.92 39.06 1s72 s ASP 26 CO -0.05 -0.94 2.18 0.18 0.52 0.00 0.00 175.17 177.06 1s72 n LEU 27 N 5.76 3.07 -3.83 -1.34 4.77 -1.26 -4.96 117.00 119.22 1s72 n LEU 27 Ca 0.13 0.34 -0.12 0.00 -0.03 0.00 0.00 56.01 56.33 1s72 n LEU 27 Cb 0.47 -1.48 -0.11 0.00 -2.33 0.00 0.00 43.42 39.97 1s72 n LEU 27 CO 0.47 -0.61 -0.14 -1.61 -1.33 0.00 0.00 177.39 174.18 1s72 s GLU 28 N 6.08 0.37 0.40 3.23 2.02 -1.26 -4.88 118.70 124.67 1s72 s GLU 28 Ca 1.02 -0.04 -0.27 0.00 0.02 0.00 0.00 54.97 55.70 1s72 s GLU 28 Cb -0.48 0.17 -0.10 0.00 0.10 0.00 0.00 34.13 33.82 1s72 s GLU 28 CO 0.40 -0.08 1.42 -1.01 0.02 0.00 0.00 175.26 176.02 1s72 s HIS 29 N -0.63 2.61 0.70 1.61 3.76 -0.62 -4.96 115.29 117.76 1s72 s HIS 29 Ca -0.07 1.26 -0.14 0.00 -0.15 0.00 0.00 55.06 55.96 1s72 s HIS 29 Cb -0.04 -3.91 0.02 0.00 1.11 0.00 0.00 32.58 29.76 1s72 s HIS 29 CO 0.01 -2.76 1.12 1.03 -0.85 0.00 0.00 174.74 173.29 1s72 s ARG 30 N -2.22 2.52 -0.15 1.40 0.52 -1.26 -4.75 118.95 115.01 1s72 s ARG 30 Ca 0.56 1.41 -0.15 0.00 -0.52 0.00 0.00 55.73 57.03 1s72 s ARG 30 Cb -0.44 -1.91 -0.05 0.00 0.52 0.00 0.00 34.95 33.07 1s72 s ARG 30 CO 0.58 -1.47 0.34 0.15 0.02 0.00 0.00 175.30 174.92 1s72 s LYS 31 N -4.24 4.28 -0.10 3.54 1.02 -1.26 -5.07 119.74 117.91 1s72 s LYS 31 Ca 0.67 0.19 0.04 0.00 0.02 0.00 0.00 55.97 56.89 1s72 s LYS 31 Cb -0.21 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.67 1s72 s LYS 31 CO 0.45 0.22 -0.23 0.08 -0.92 0.00 0.00 175.35 174.95 1s72 s VAL 32 N 0.51 2.03 0.15 3.17 1.01 -1.26 -5.01 120.40 121.00 1s72 s VAL 32 Ca 0.19 -1.00 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 1s72 s VAL 32 Cb -0.14 -1.76 0.05 0.00 0.00 0.00 0.00 36.38 34.53 1s72 s VAL 32 CO 0.06 0.55 1.67 -0.33 0.00 0.00 0.00 175.10 177.05 1s72 h GLU 33 N 6.80 -0.04 0.00 2.72 3.07 -1.99 -3.48 114.58 121.67 1s72 h GLU 33 Ca -0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.65 1s72 h GLU 33 Cb 1.23 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1s72 h GLU 33 CO 0.48 -0.02 0.00 -3.47 -1.40 0.00 0.00 179.01 174.60 1s72 n ASP 34 N -5.29 0.00 0.00 1.42 -0.08 -1.26 -5.04 116.55 106.31 1s72 n ASP 34 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1s72 n ASP 34 Cb 0.20 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.66 1s72 n ASP 34 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1s72 n GLY 35 N -0.63 1.88 2.30 0.27 0.00 -1.26 -4.43 105.19 103.32 1s72 n GLY 35 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1s72 n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s72 n ASP 36 N 1.73 0.00 0.15 1.61 2.03 -1.26 -4.45 116.55 116.36 1s72 n ASP 36 Ca 0.00 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.39 1s72 n ASP 36 Cb 0.00 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.52 1s72 n ASP 36 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1s72 n VAL 37 N -2.00 0.00 -1.70 5.18 0.24 -1.26 -4.32 118.33 114.46 1s72 n VAL 37 Ca 0.00 0.98 -0.42 0.00 -2.04 0.00 0.00 64.34 62.86 1s72 n VAL 37 Cb 0.00 -1.89 -0.03 0.00 -1.47 0.00 0.00 33.84 30.45 1s72 n VAL 37 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1s72 s ILE 38 N -3.88 3.10 0.06 1.34 -1.09 -1.26 -4.97 121.20 114.50 1s72 s ILE 38 Ca -0.01 0.11 -0.01 0.00 -2.23 0.00 0.00 60.65 58.52 1s72 s ILE 38 Cb 0.04 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.79 1s72 s ILE 38 CO 0.13 -0.03 -0.04 0.00 -1.23 0.00 0.00 174.94 173.77 1s72 s ALA 39 N 5.79 0.60 0.31 9.38 0.00 -1.26 -1.12 121.76 135.46 1s72 s ALA 39 Ca 0.90 -1.24 -0.09 0.00 0.00 0.00 0.00 51.96 51.53 1s72 s ALA 39 Cb -0.37 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.01 1s72 s ALA 39 CO 0.38 -0.35 0.54 0.20 0.00 0.00 0.00 175.76 176.53 1s72 s GLY 40 N -2.94 0.87 -0.06 0.00 0.00 -0.46 -1.32 107.32 103.40 1s72 s GLY 40 Ca 0.08 -1.10 0.05 0.00 0.00 0.00 0.00 44.72 43.76 1s72 s GLY 40 CO -0.09 -0.70 -0.23 -1.59 0.00 0.00 0.00 173.10 170.49 1s72 s THR 41 N -3.32 1.90 -0.02 0.90 2.01 0.37 -1.58 115.64 115.91 1s72 s THR 41 Ca 0.24 -0.97 -0.30 0.00 0.31 0.00 0.00 61.69 60.97 1s72 s THR 41 Cb -0.01 -1.62 -0.06 0.00 0.01 0.00 0.00 72.50 70.82 1s72 s THR 41 CO 0.14 0.53 1.58 -0.69 -0.69 0.00 0.00 174.62 175.49 1s72 s VAL 42 N -0.04 3.52 -0.07 3.82 1.01 -0.20 -1.26 120.40 127.19 1s72 s VAL 42 Ca -0.06 0.78 0.18 0.00 0.00 0.00 0.00 61.98 62.89 1s72 s VAL 42 Cb -0.14 -3.50 -0.28 0.00 0.00 0.00 0.00 36.38 32.46 1s72 s VAL 42 CO 0.04 -0.04 0.32 0.52 0.00 0.00 0.00 175.10 175.94 1s72 n VAL 43 N 5.13 0.35 -3.62 2.92 0.31 0.96 -1.35 118.33 123.04 1s72 n VAL 43 Ca 0.16 -0.53 -0.04 0.00 -0.01 0.00 0.00 64.34 63.92 1s72 n VAL 43 Cb 0.43 -0.11 -0.01 0.00 -0.91 0.00 0.00 33.84 33.23 1s72 n VAL 43 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1s72 s ASP 44 N -4.51 -0.19 -0.13 4.52 2.15 -1.19 -4.92 116.67 112.39 1s72 s ASP 44 Ca -0.08 -0.14 0.02 0.00 0.43 0.00 0.00 52.55 52.78 1s72 s ASP 44 Cb 0.10 0.30 0.01 0.00 -0.30 0.00 0.00 42.92 43.04 1s72 s ASP 44 CO 0.79 -0.53 -0.18 -0.63 -0.17 0.00 0.00 175.17 174.45 1s72 s ILE 45 N -2.84 1.75 0.34 4.11 -1.09 -1.26 -0.49 121.20 121.72 1s72 s ILE 45 Ca 0.10 -0.78 0.08 0.00 -2.23 0.00 0.00 60.65 57.82 1s72 s ILE 45 Cb 0.00 -1.58 -0.07 0.00 -1.58 0.00 0.00 42.46 39.24 1s72 s ILE 45 CO -0.04 0.49 -0.05 -1.61 -1.23 0.00 0.00 174.94 172.50 1s72 s GLU 46 N 1.04 1.78 0.04 2.79 2.02 0.13 -4.93 118.70 121.56 1s72 s GLU 46 Ca -0.04 -1.94 -0.22 0.00 0.02 0.00 0.00 54.97 52.79 1s72 s GLU 46 Cb -0.15 -1.49 -0.06 0.00 0.10 0.00 0.00 34.13 32.53 1s72 s GLU 46 CO -0.04 0.04 0.64 -1.58 0.02 0.00 0.00 175.26 174.34 1s72 s HIS 47 N -2.78 3.74 -0.39 1.61 5.65 -1.26 0.61 115.29 122.47 1s72 s HIS 47 Ca 0.33 1.31 -0.13 0.00 0.25 0.00 0.00 55.06 56.82 1s72 s HIS 47 Cb 0.05 -2.64 0.02 0.00 -1.18 0.00 0.00 32.58 28.83 1s72 s HIS 47 CO 0.16 0.41 0.26 0.34 -0.65 0.00 0.00 174.74 175.25 1s72 s ASP 48 N -0.47 5.97 0.56 9.88 -1.08 0.22 -4.84 116.67 126.91 1s72 s ASP 48 Ca 0.32 -0.87 0.37 0.00 -0.52 0.00 0.00 52.55 51.86 1s72 s ASP 48 Cb -0.19 -2.11 1.89 0.00 -1.46 0.00 0.00 42.92 41.05 1s72 s ASP 48 CO 0.20 -0.40 2.13 -0.65 0.52 0.00 0.00 175.17 176.96 1s72 h PRO 49 N 8.55 0.00 -0.00 4.34 0.11 -1.90 -0.02 132.00 143.07 1s72 h PRO 49 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1s72 h PRO 49 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1s72 h PRO 49 CO 0.70 0.00 -0.62 0.00 -0.21 0.00 0.00 178.00 177.87 1s72 n ALA 50 N -2.01 3.84 -0.68 -0.75 0.00 -1.26 -4.44 120.51 115.21 1s72 n ALA 50 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1s72 n ALA 50 Cb 0.13 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1s72 n ALA 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1s72 n ARG 51 N -1.48 -0.30 -3.54 0.00 1.74 -0.83 -5.01 116.66 107.23 1s72 n ARG 51 Ca 0.05 -0.16 -0.26 0.00 -0.77 0.00 0.00 57.85 56.71 1s72 n ARG 51 Cb 0.33 -0.65 0.01 0.00 -1.02 0.00 0.00 32.46 31.13 1s72 n ARG 51 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1s72 n SER 52 N -0.00 -4.30 -3.96 0.55 7.64 -0.08 -4.74 113.62 108.72 1s72 n SER 52 Ca 0.00 -0.53 -0.09 0.00 1.01 0.00 0.00 58.87 59.26 1s72 n SER 52 Cb 0.17 -3.50 -0.09 0.00 -1.01 0.00 0.00 64.21 59.78 1s72 n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s72 s ALA 53 N -3.09 0.07 0.73 -0.43 0.00 -1.24 -4.96 121.76 112.84 1s72 s ALA 53 Ca 0.49 -0.75 -0.11 0.00 0.00 0.00 0.00 51.96 51.59 1s72 s ALA 53 Cb -0.25 0.30 0.03 0.00 0.00 0.00 0.00 23.12 23.20 1s72 s ALA 53 CO 0.61 -0.36 1.08 -1.25 0.00 0.00 0.00 175.76 175.83 1s72 s PRO 54 N -3.18 2.60 0.02 0.00 0.04 -1.26 -0.61 135.00 132.60 1s72 s PRO 54 Ca -0.00 1.05 -0.09 0.00 0.04 0.00 0.00 61.00 62.00 1s72 s PRO 54 Cb 0.02 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1s72 s PRO 54 CO -0.07 -1.37 0.18 0.54 0.04 0.00 0.00 177.00 176.32 1s72 s VAL 55 N -2.98 0.09 -0.10 -0.36 0.11 0.20 -4.23 120.40 113.14 1s72 s VAL 55 Ca 0.60 -0.77 -0.00 0.00 -2.93 0.00 0.00 61.98 58.87 1s72 s VAL 55 Cb -0.15 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.00 1s72 s VAL 55 CO 0.55 -0.42 -0.08 0.00 -3.33 0.00 0.00 175.10 171.82 1s72 s ALA 56 N -1.92 2.87 -0.14 1.54 0.00 -0.56 0.17 121.76 123.72 1s72 s ALA 56 Ca -0.10 -0.88 -0.22 0.00 0.00 0.00 0.00 51.96 50.76 1s72 s ALA 56 Cb -0.04 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 1s72 s ALA 56 CO -0.01 0.41 0.65 0.00 0.00 0.00 0.00 175.76 176.81 1s72 s ALA 57 N -0.24 3.46 -0.02 0.00 0.00 0.35 0.70 121.76 126.01 1s72 s ALA 57 Ca 0.03 -0.10 0.05 0.00 0.00 0.00 0.00 51.96 51.94 1s72 s ALA 57 Cb -0.13 -2.95 -0.01 0.00 0.00 0.00 0.00 23.12 20.04 1s72 s ALA 57 CO 0.03 -0.34 -0.16 0.08 0.00 0.00 0.00 175.76 175.36 1s72 s VAL 58 N 1.40 1.31 -0.32 0.00 1.01 -0.70 -0.02 120.40 123.08 1s72 s VAL 58 Ca 0.32 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 1s72 s VAL 58 Cb -0.16 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.12 1s72 s VAL 58 CO 0.13 0.38 0.13 -1.61 0.00 0.00 0.00 175.10 174.13 1s72 s GLU 59 N -0.20 3.12 0.33 2.72 2.02 -0.39 -1.84 118.70 124.48 1s72 s GLU 59 Ca 0.02 -0.85 -0.10 0.00 0.02 0.00 0.00 54.97 54.05 1s72 s GLU 59 Cb -0.08 -3.51 -0.07 0.00 0.10 0.00 0.00 34.13 30.56 1s72 s GLU 59 CO 0.00 -0.49 0.68 -0.06 0.02 0.00 0.00 175.26 175.42 1s72 s PHE 60 N 1.55 3.44 0.23 1.61 0.40 0.21 -0.48 117.98 124.94 1s72 s PHE 60 Ca 0.03 0.98 -0.16 0.00 -0.60 0.00 0.00 56.93 57.18 1s72 s PHE 60 Cb -0.18 -2.37 0.25 0.00 0.51 0.00 0.00 43.02 41.23 1s72 s PHE 60 CO 0.05 0.06 1.57 0.93 0.70 0.00 0.00 175.22 178.52 1s72 h GLU 61 N 1.80 -0.05 -1.36 0.44 5.08 -1.51 0.64 114.58 119.63 1s72 h GLU 61 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1s72 h GLU 61 Cb 1.18 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1s72 h GLU 61 CO 0.66 -0.03 0.00 -0.40 -1.00 0.00 0.00 179.01 178.23 1s72 n ASP 62 N -5.49 2.49 0.00 1.42 5.75 -1.26 -4.78 116.55 114.68 1s72 n ASP 62 Ca 0.09 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.30 1s72 n ASP 62 Cb 0.40 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1s72 n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s72 n GLY 63 N 0.77 2.80 3.73 6.12 0.00 0.22 -5.00 105.19 113.82 1s72 n GLY 63 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1s72 n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s72 s ASP 64 N -1.52 6.55 -0.26 1.61 1.01 -1.23 -4.70 116.67 118.13 1s72 s ASP 64 Ca 0.00 2.68 0.01 0.00 0.71 0.00 0.00 52.55 55.96 1s72 s ASP 64 Cb 0.00 -2.60 0.05 0.00 1.01 0.00 0.00 42.92 41.38 1s72 s ASP 64 CO 0.00 -0.83 -0.09 -0.60 0.21 0.00 0.00 175.17 173.86 1s72 s ARG 65 N 0.75 2.40 0.02 8.23 6.06 -1.26 0.67 118.95 135.83 1s72 s ARG 65 Ca 0.68 -1.25 0.00 0.00 -2.50 0.00 0.00 55.73 52.66 1s72 s ARG 65 Cb -0.44 -2.93 -0.02 0.00 0.06 0.00 0.00 34.95 31.62 1s72 s ARG 65 CO 0.35 -0.53 -0.03 1.03 -2.50 0.00 0.00 175.30 173.62 1s72 s ARG 66 N 1.17 0.29 0.45 5.12 0.52 -0.76 -4.98 118.95 120.76 1s72 s ARG 66 Ca -0.06 -0.53 -0.21 0.00 -0.52 0.00 0.00 55.73 54.41 1s72 s ARG 66 Cb -0.19 0.05 -0.10 0.00 0.52 0.00 0.00 34.95 35.23 1s72 s ARG 66 CO -0.05 -0.03 0.98 -0.51 0.02 0.00 0.00 175.30 175.71 1s72 s LEU 67 N -1.25 3.89 0.04 2.53 1.43 -1.26 -1.71 118.68 122.36 1s72 s LEU 67 Ca -0.13 1.77 0.04 0.00 -1.03 0.00 0.00 54.13 54.78 1s72 s LEU 67 Cb -0.08 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.57 1s72 s LEU 67 CO -0.01 -0.52 -0.12 -0.51 0.23 0.00 0.00 176.35 175.43 1s72 s ILE 68 N -2.14 0.91 -0.42 -0.59 2.07 0.22 -4.75 121.20 116.50 1s72 s ILE 68 Ca 0.64 -1.03 -0.28 0.00 -1.41 0.00 0.00 60.65 58.57 1s72 s ILE 68 Cb -0.12 -0.87 -0.02 0.00 0.13 0.00 0.00 42.46 41.58 1s72 s ILE 68 CO 0.16 -0.14 1.85 -0.22 -1.91 0.00 0.00 174.94 174.68 1s72 s LEU 69 N -1.31 3.44 -0.15 8.50 1.98 -1.26 -1.49 118.68 128.38 1s72 s LEU 69 Ca -0.02 1.00 -0.26 0.00 -2.89 0.00 0.00 54.13 51.96 1s72 s LEU 69 Cb -0.08 -3.17 -0.02 0.00 0.66 0.00 0.00 46.19 43.59 1s72 s LEU 69 CO 0.01 -1.97 0.86 0.00 -1.89 0.00 0.00 176.35 173.36 1s72 s ALA 70 N 7.81 3.48 0.80 5.97 0.00 -1.26 -4.91 121.76 133.66 1s72 s ALA 70 Ca 0.77 0.11 -0.11 0.00 0.00 0.00 0.00 51.96 52.72 1s72 s ALA 70 Cb -0.19 -3.25 0.08 0.00 0.00 0.00 0.00 23.12 19.76 1s72 s ALA 70 CO 0.29 -0.60 1.16 -2.14 0.00 0.00 0.00 175.76 174.47 1s72 s PRO 71 N 2.03 1.96 0.47 0.00 0.02 -1.26 -1.68 135.00 136.53 1s72 s PRO 71 Ca 0.40 0.05 -0.22 0.00 0.02 0.00 0.00 61.00 61.25 1s72 s PRO 71 Cb -0.17 -1.97 -0.07 0.00 0.02 0.00 0.00 34.50 32.30 1s72 s PRO 71 CO 0.14 -1.58 1.14 -2.00 -0.33 0.00 0.00 177.00 174.37 1s72 s GLU 72 N -5.55 3.75 0.00 5.54 2.12 0.14 -3.92 118.70 120.78 1s72 s GLU 72 Ca 0.62 1.69 0.00 0.00 0.36 0.00 0.00 54.97 57.64 1s72 s GLU 72 Cb -0.11 -2.34 0.00 0.00 0.26 0.00 0.00 34.13 31.94 1s72 s GLU 72 CO 0.49 -0.54 0.00 0.41 -0.54 0.00 0.00 175.26 175.07 1s72 n GLY 73 N 0.34 0.65 3.49 -1.50 0.00 -1.26 -4.80 105.19 102.11 1s72 n GLY 73 Ca 0.08 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 1s72 n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s72 s VAL 74 N -2.00 3.77 0.20 1.61 1.01 -1.25 -5.02 120.40 118.72 1s72 s VAL 74 Ca 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1s72 s VAL 74 Cb 0.00 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 1s72 s VAL 74 CO 0.00 0.51 0.01 -0.83 0.00 0.00 0.00 175.10 174.79 1s72 s GLY 75 N 0.24 1.36 0.23 4.51 0.00 -1.26 -5.05 107.32 107.35 1s72 s GLY 75 Ca -0.04 -1.66 -0.31 0.00 0.00 0.00 0.00 44.72 42.71 1s72 s GLY 75 CO 0.03 -1.57 1.30 -0.62 0.00 0.00 0.00 173.10 172.24 1s72 n VAL 76 N -0.31 1.11 0.00 1.40 0.31 -1.26 -1.78 118.33 117.80 1s72 n VAL 76 Ca -0.05 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1s72 n VAL 76 Cb 0.64 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 1s72 n VAL 76 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s72 n GLY 77 N 1.93 2.91 3.65 2.92 0.00 -0.46 -4.99 105.19 111.16 1s72 n GLY 77 Ca 0.12 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1s72 n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s72 n ASP 78 N 0.19 1.22 -4.30 1.61 9.92 -0.73 -4.64 116.55 119.83 1s72 n ASP 78 Ca 0.00 0.84 -0.36 0.00 -0.53 0.00 0.00 54.79 54.74 1s72 n ASP 78 Cb 0.00 -1.44 -0.14 0.00 -0.64 0.00 0.00 41.12 38.91 1s72 n ASP 78 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1s72 s GLU 79 N -2.83 3.15 0.11 -1.24 2.12 -1.26 -1.03 118.70 117.71 1s72 s GLU 79 Ca 0.76 -0.79 0.02 0.00 0.36 0.00 0.00 54.97 55.32 1s72 s GLU 79 Cb -0.42 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 30.81 1s72 s GLU 79 CO 0.47 -0.33 0.23 -0.51 -0.54 0.00 0.00 175.26 174.58 1s72 s LEU 80 N 1.45 4.27 0.03 2.70 1.43 -0.62 -4.94 118.68 123.01 1s72 s LEU 80 Ca 0.03 0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.35 1s72 s LEU 80 Cb -0.16 -2.86 -0.02 0.00 0.03 0.00 0.00 46.19 43.18 1s72 s LEU 80 CO -0.02 0.11 -0.13 -1.10 0.23 0.00 0.00 176.35 175.45 1s72 s GLN 81 N -2.86 0.87 -0.16 1.70 -0.21 -1.26 -1.35 119.66 116.38 1s72 s GLN 81 Ca 0.34 -0.70 -0.02 0.00 0.02 0.00 0.00 55.36 55.01 1s72 s GLN 81 Cb -0.12 -0.85 0.05 0.00 1.00 0.00 0.00 33.01 33.09 1s72 s GLN 81 CO 0.27 0.21 0.01 0.08 -2.12 0.00 0.00 175.29 173.74 1s72 s VAL 82 N -0.81 0.63 0.00 1.09 1.01 -0.28 -1.77 120.40 120.28 1s72 s VAL 82 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1s72 s VAL 82 Cb -0.07 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.32 1s72 s VAL 82 CO 0.01 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1s72 n GLY 83 N 5.03 1.30 0.37 4.51 0.00 -0.89 -4.17 105.19 111.34 1s72 n GLY 83 Ca -0.09 -1.13 0.05 0.00 0.00 0.00 0.00 46.02 44.85 1s72 n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1s72 h VAL 84 N 1.71 1.03 -0.49 1.61 2.07 -1.87 -2.08 116.25 118.23 1s72 h VAL 84 Ca 0.00 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1s72 h VAL 84 Cb 0.00 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.72 1s72 h VAL 84 CO 0.00 0.18 0.00 -1.20 0.02 0.00 0.00 177.57 176.57 1s72 n SER 85 N -4.51 3.92 -4.76 0.57 7.64 -1.26 -4.90 113.62 110.33 1s72 n SER 85 Ca 0.14 -2.40 -0.39 0.00 1.01 0.00 0.00 58.87 57.23 1s72 n SER 85 Cb 0.23 -0.53 0.03 0.00 -1.01 0.00 0.00 64.21 62.93 1s72 n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s72 s ALA 86 N -1.87 3.04 1.06 -0.43 0.00 -0.78 -4.96 121.76 117.82 1s72 s ALA 86 Ca 0.40 1.37 -0.12 0.00 0.00 0.00 0.00 51.96 53.61 1s72 s ALA 86 Cb 0.26 -3.56 0.22 0.00 0.00 0.00 0.00 23.12 20.04 1s72 s ALA 86 CO 0.18 -1.23 1.07 -2.00 0.00 0.00 0.00 175.76 173.79 1s72 s GLU 87 N -2.65 -0.06 -1.02 0.00 2.12 -1.26 -4.92 118.70 110.90 1s72 s GLU 87 Ca 0.66 1.03 -0.04 0.00 0.36 0.00 0.00 54.97 56.98 1s72 s GLU 87 Cb -0.41 -1.64 0.29 0.00 0.26 0.00 0.00 34.13 32.63 1s72 s GLU 87 CO 0.51 -3.21 1.30 -0.89 -0.54 0.00 0.00 175.26 172.43 1s72 n ILE 88 N -4.58 4.73 -4.28 -3.70 5.41 -1.26 -4.89 119.36 110.80 1s72 n ILE 88 Ca 0.06 -5.72 -0.17 0.00 1.00 0.00 0.00 62.75 57.93 1s72 n ILE 88 Cb 0.54 -2.18 -0.10 0.00 -0.71 0.00 0.00 39.64 37.18 1s72 n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s72 s ALA 89 N -2.43 1.64 0.43 -1.39 0.00 -1.26 -5.10 121.76 113.64 1s72 s ALA 89 Ca 0.32 -1.48 -0.25 0.00 0.00 0.00 0.00 51.96 50.54 1s72 s ALA 89 Cb 0.03 -0.03 -0.10 0.00 0.00 0.00 0.00 23.12 23.02 1s72 s ALA 89 CO 0.05 0.01 1.28 -2.30 0.00 0.00 0.00 175.76 174.81 1s72 n PRO 90 N -0.03 1.95 0.00 0.00 -0.02 -1.26 -2.39 135.00 133.25 1s72 n PRO 90 Ca -0.11 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1s72 n PRO 90 Cb 0.59 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1s72 n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s72 n GLY 91 N 0.79 1.56 3.91 -1.23 0.00 -0.42 -4.97 105.19 104.83 1s72 n GLY 91 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1s72 n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s72 s ASN 92 N -2.12 6.43 -0.10 1.61 -0.87 -1.00 -4.60 114.94 114.29 1s72 s ASN 92 Ca 0.00 0.52 0.04 0.00 -1.57 0.00 0.00 52.86 51.84 1s72 s ASN 92 Cb 0.00 -2.06 0.00 0.00 -0.02 0.00 0.00 41.25 39.17 1s72 s ASN 92 CO 0.00 -0.03 -0.23 -0.89 -2.57 0.00 0.00 177.10 173.39 1s72 s THR 93 N -1.82 1.95 0.15 1.60 2.01 -0.73 -0.83 115.64 117.98 1s72 s THR 93 Ca 0.40 -0.96 -0.20 0.00 0.31 0.00 0.00 61.69 61.25 1s72 s THR 93 Cb -0.11 -1.69 0.05 0.00 0.01 0.00 0.00 72.50 70.75 1s72 s THR 93 CO 0.27 0.54 0.52 -1.48 -0.69 0.00 0.00 174.62 173.78 1s72 s LEU 94 N 0.38 -0.13 0.44 4.42 2.34 -0.25 -2.08 118.68 123.80 1s72 s LEU 94 Ca -0.18 -0.17 -0.25 0.00 0.06 0.00 0.00 54.13 53.58 1s72 s LEU 94 Cb -0.18 2.27 -0.09 0.00 -0.56 0.00 0.00 46.19 47.63 1s72 s LEU 94 CO 0.08 -0.94 1.36 -0.81 -1.06 0.00 0.00 176.35 174.99 1s72 n PRO 95 N -0.32 2.09 -0.03 1.48 -0.04 -1.26 -1.75 135.00 135.16 1s72 n PRO 95 Ca -0.16 0.75 0.24 0.00 -0.04 0.00 0.00 63.50 64.29 1s72 n PRO 95 Cb 0.64 -2.53 0.65 0.00 -0.04 0.00 0.00 33.50 32.23 1s72 n PRO 95 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1s72 h LEU 96 N 2.16 0.00 -0.25 1.53 3.38 -0.64 0.47 115.31 121.95 1s72 h LEU 96 Ca -0.50 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.43 1s72 h LEU 96 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1s72 h LEU 96 CO 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 179.12 1s72 h ALA 97 N 1.18 0.33 0.00 1.53 0.00 -1.52 -2.86 119.26 117.93 1s72 h ALA 97 Ca 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1s72 h ALA 97 Cb 1.75 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1s72 h ALA 97 CO -0.00 0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.72 1s72 n GLU 98 N -4.62 0.37 -3.30 0.00 -0.58 0.14 -4.78 120.64 107.88 1s72 n GLU 98 Ca -0.04 0.06 -0.38 0.00 -0.42 0.00 0.00 57.16 56.38 1s72 n GLU 98 Cb 0.25 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.57 1s72 n GLU 98 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1s72 s ILE 99 N -2.52 4.98 0.08 -3.67 -1.09 -1.08 -5.02 121.20 112.88 1s72 s ILE 99 Ca 0.24 1.09 -0.31 0.00 -2.23 0.00 0.00 60.65 59.44 1s72 s ILE 99 Cb 0.16 -3.86 -0.06 0.00 -1.58 0.00 0.00 42.46 37.12 1s72 s ILE 99 CO 0.35 0.44 1.23 -2.16 -1.23 0.00 0.00 174.94 173.57 1s72 s PRO 100 N -0.25 4.42 0.63 2.79 0.04 -1.26 -4.98 135.00 136.38 1s72 s PRO 100 Ca 0.28 1.83 -0.18 0.00 0.04 0.00 0.00 61.00 62.97 1s72 s PRO 100 Cb -0.17 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.00 1s72 s PRO 100 CO 0.15 -0.28 0.80 0.39 0.04 0.00 0.00 177.00 178.10 1s72 n GLU 101 N 3.84 0.67 -0.60 4.56 1.02 -1.26 -2.74 120.64 126.13 1s72 n GLU 101 Ca 0.09 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1s72 n GLU 101 Cb 0.46 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 1s72 n GLU 101 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s72 n GLY 102 N 1.44 0.76 3.73 0.62 0.00 -0.00 -5.03 105.19 106.71 1s72 n GLY 102 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1s72 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s72 s VAL 103 N -2.77 4.93 0.24 1.61 1.01 -1.11 -4.96 120.40 119.34 1s72 s VAL 103 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 1s72 s VAL 103 Cb 0.00 -3.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.12 1s72 s VAL 103 CO 0.00 0.54 1.30 -2.84 0.00 0.00 0.00 175.10 174.10 1s72 s PRO 104 N -0.36 4.40 0.07 2.72 0.02 -1.26 -3.51 135.00 137.08 1s72 s PRO 104 Ca 0.09 2.08 0.01 0.00 0.02 0.00 0.00 61.00 63.20 1s72 s PRO 104 Cb -0.12 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 1s72 s PRO 104 CO 0.02 -0.20 -0.05 0.08 -0.33 0.00 0.00 177.00 176.51 1s72 s VAL 105 N -0.28 0.47 0.15 3.83 1.01 -0.66 -1.16 120.40 123.76 1s72 s VAL 105 Ca 0.54 -1.77 -0.03 0.00 0.00 0.00 0.00 61.98 60.72 1s72 s VAL 105 Cb -0.37 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 1s72 s VAL 105 CO 0.42 -0.87 0.12 0.00 0.00 0.00 0.00 175.10 174.77 1s72 n ASN 107 N -0.16 -5.24 -4.75 0.00 5.15 0.13 -0.91 115.26 109.48 1s72 n ASN 107 Ca -0.04 -0.92 -0.40 0.00 -0.60 0.00 0.00 54.58 52.63 1s72 n ASN 107 Cb 0.64 -3.94 -0.05 0.00 -0.53 0.00 0.00 39.78 35.90 1s72 n ASN 107 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1s72 s VAL 108 N -3.47 4.76 0.41 3.44 1.01 -0.31 -4.18 120.40 122.07 1s72 s VAL 108 Ca 0.42 1.54 -0.23 0.00 0.00 0.00 0.00 61.98 63.71 1s72 s VAL 108 Cb -0.12 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 1s72 s VAL 108 CO 0.82 0.38 1.03 -1.61 0.00 0.00 0.00 175.10 175.73 1s72 s GLU 109 N -0.13 4.14 -0.02 2.72 2.02 -0.84 0.38 118.70 126.97 1s72 s GLU 109 Ca 0.37 1.43 0.01 0.00 0.02 0.00 0.00 54.97 56.80 1s72 s GLU 109 Cb -0.20 -2.44 -0.26 0.00 0.10 0.00 0.00 34.13 31.33 1s72 s GLU 109 CO 0.22 -0.15 0.76 1.03 0.02 0.00 0.00 175.26 177.13 1s72 h SER 110 N 2.32 0.27 -3.49 -0.19 0.87 -1.92 -3.45 113.55 107.96 1s72 h SER 110 Ca -0.48 -0.44 -0.35 0.00 -1.23 0.00 0.00 61.79 59.28 1s72 h SER 110 Cb 1.21 -0.09 -0.34 0.00 -0.44 0.00 0.00 62.40 62.74 1s72 h SER 110 CO 0.62 1.38 -0.75 -0.55 -0.53 0.00 0.00 176.83 177.00 1s72 s SER 111 N -6.75 0.48 -0.49 6.23 0.15 -1.26 -4.78 113.70 107.28 1s72 s SER 111 Ca -0.09 -0.03 -0.45 0.00 0.70 0.00 0.00 55.95 56.07 1s72 s SER 111 Cb 0.07 -0.23 -0.19 0.00 -1.71 0.00 0.00 66.02 63.96 1s72 s SER 111 CO 0.83 -0.10 1.68 -0.81 1.20 0.00 0.00 173.24 176.04 1s72 n PRO 112 N 4.17 0.00 -0.28 5.44 -0.04 -1.26 -1.01 135.00 142.01 1s72 n PRO 112 Ca -0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 1s72 n PRO 112 Cb 0.50 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1s72 n PRO 112 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s72 n GLY 113 N 4.69 0.72 0.00 0.55 0.00 -1.26 -4.93 105.19 104.96 1s72 n GLY 113 Ca 0.36 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.49 1s72 n GLY 113 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s72 n ASP 114 N 0.00 0.00 0.00 1.61 5.68 -0.18 -4.87 116.55 118.78 1s72 n ASP 114 Ca 0.00 -0.46 0.00 0.00 -0.50 0.00 0.00 54.79 53.83 1s72 n ASP 114 Cb 0.00 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 1s72 n ASP 114 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s72 n GLY 115 N 0.44 0.84 0.00 6.12 0.00 -1.26 -4.87 105.19 106.45 1s72 n GLY 115 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1s72 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s72 n GLY 116 N -2.09 2.00 0.21 -0.02 0.00 -1.26 -1.59 105.19 102.44 1s72 n GLY 116 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1s72 n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s72 n LYS 117 N 2.32 0.00 -3.54 1.61 4.76 0.16 -4.86 118.16 118.61 1s72 n LYS 117 Ca 0.00 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.16 1s72 n LYS 117 Cb 0.00 -0.72 -0.03 0.00 -1.84 0.00 0.00 35.03 32.44 1s72 n LYS 117 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1s72 s PHE 118 N -1.65 3.48 -0.43 2.13 0.40 0.02 -4.72 117.98 117.21 1s72 s PHE 118 Ca 0.00 0.49 -0.26 0.00 -0.60 0.00 0.00 56.93 56.56 1s72 s PHE 118 Cb 0.00 -1.97 0.04 0.00 0.51 0.00 0.00 43.02 41.59 1s72 s PHE 118 CO 0.00 0.29 0.60 0.00 0.70 0.00 0.00 175.22 176.81 1s72 n ALA 119 N -0.74 -2.68 0.00 5.36 0.00 -1.26 -1.16 120.51 120.03 1s72 n ALA 119 Ca -0.03 0.76 0.00 0.00 0.00 0.00 0.00 53.44 54.17 1s72 n ALA 119 Cb 0.54 -2.97 0.00 0.00 0.00 0.00 0.00 19.45 17.02 1s72 n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1s72 n ARG 120 N -0.19 2.80 -1.69 0.00 1.74 -1.26 0.17 116.66 118.24 1s72 n ARG 120 Ca 0.02 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.81 1s72 n ARG 120 Cb 0.55 -0.31 0.10 0.00 -1.02 0.00 0.00 32.46 31.78 1s72 n ARG 120 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s72 s ALA 121 N -0.42 2.29 -0.12 7.54 0.00 -1.26 -4.93 121.76 124.86 1s72 s ALA 121 Ca 0.00 -0.45 -0.40 0.00 0.00 0.00 0.00 51.96 51.11 1s72 s ALA 121 Cb 0.00 -3.03 -0.17 0.00 0.00 0.00 0.00 23.12 19.92 1s72 s ALA 121 CO 0.00 -1.82 1.46 0.43 0.00 0.00 0.00 175.76 175.83 1s72 n SER 122 N -3.45 1.56 0.00 0.00 7.64 -1.26 -2.71 113.62 115.40 1s72 n SER 122 Ca 0.07 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.07 1s72 n SER 122 Cb 0.59 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1s72 n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s72 n GLY 123 N 3.08 0.09 3.94 0.23 0.00 -0.82 -4.60 105.19 107.12 1s72 n GLY 123 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 1s72 n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s72 s VAL 124 N -1.26 2.11 -0.10 1.61 -7.23 -1.10 -4.58 120.40 109.85 1s72 s VAL 124 Ca 0.00 -0.21 -0.31 0.00 -1.81 0.00 0.00 61.98 59.65 1s72 s VAL 124 Cb 0.00 -2.90 0.12 0.00 0.56 0.00 0.00 36.38 34.16 1s72 s VAL 124 CO 0.00 0.00 1.01 0.54 -0.31 0.00 0.00 175.10 176.34 1s72 s ASN 125 N -4.71 -0.29 0.39 4.85 2.20 -1.26 -1.18 114.94 114.92 1s72 s ASN 125 Ca 0.67 0.10 0.08 0.00 -0.94 0.00 0.00 52.86 52.76 1s72 s ASN 125 Cb -0.07 0.29 -0.01 0.00 -2.00 0.00 0.00 41.25 39.46 1s72 s ASN 125 CO 0.48 -0.43 0.43 0.00 -2.94 0.00 0.00 177.10 174.64 1s72 s ALA 126 N -2.39 4.18 -0.20 3.54 0.00 0.29 -3.83 121.76 123.35 1s72 s ALA 126 Ca 0.05 -1.70 -0.01 0.00 0.00 0.00 0.00 51.96 50.29 1s72 s ALA 126 Cb -0.01 -1.34 0.06 0.00 0.00 0.00 0.00 23.12 21.83 1s72 s ALA 126 CO -0.05 -0.16 -0.01 -1.14 0.00 0.00 0.00 175.76 174.40 1s72 s GLN 127 N -4.17 1.09 -0.28 0.00 2.00 -0.00 -1.66 119.66 116.64 1s72 s GLN 127 Ca 0.48 -0.61 -0.29 0.00 -2.00 0.00 0.00 55.36 52.94 1s72 s GLN 127 Cb -0.07 -2.22 -0.00 0.00 0.80 0.00 0.00 33.01 31.52 1s72 s GLN 127 CO 0.30 -0.58 1.35 -1.17 -0.50 0.00 0.00 175.29 174.68 1s72 s LEU 128 N 1.68 3.90 -0.11 3.68 2.96 -1.23 -0.60 118.68 128.96 1s72 s LEU 128 Ca -0.02 1.31 -0.11 0.00 -0.22 0.00 0.00 54.13 55.08 1s72 s LEU 128 Cb -0.17 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1s72 s LEU 128 CO -0.07 -1.09 -0.22 0.18 -1.32 0.00 0.00 176.35 173.83 1s72 n LEU 129 N 7.69 1.29 -4.66 -0.68 4.77 -0.41 -0.82 117.00 124.18 1s72 n LEU 129 Ca 0.15 0.22 -0.30 0.00 -0.03 0.00 0.00 56.01 56.05 1s72 n LEU 129 Cb 0.46 -0.63 -0.09 0.00 -2.33 0.00 0.00 43.42 40.84 1s72 n LEU 129 CO 0.63 -0.37 -0.35 -0.89 -1.33 0.00 0.00 177.39 175.07 1s72 s THR 130 N -2.27 3.87 0.00 -5.08 2.01 -1.15 -4.51 115.64 108.51 1s72 s THR 130 Ca -0.18 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 60.82 1s72 s THR 130 Cb 0.03 -2.82 0.00 0.00 0.01 0.00 0.00 72.50 69.72 1s72 s THR 130 CO 0.27 0.16 0.00 1.41 -0.69 0.00 0.00 174.62 175.77 1s72 n HIS 131 N 0.74 -0.88 0.00 4.92 8.25 -1.26 -1.63 115.22 125.35 1s72 n HIS 131 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1s72 n HIS 131 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 1s72 n HIS 131 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1s72 n ASP 132 N -1.51 0.00 0.08 0.41 -0.08 -1.18 -4.77 116.55 109.50 1s72 n ASP 132 Ca 0.00 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.40 1s72 n ASP 132 Cb 0.00 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.47 1s72 n ASP 132 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1s72 n ARG 133 N -1.02 0.54 -0.06 -0.67 1.74 -1.26 -4.47 116.66 111.46 1s72 n ARG 133 Ca 0.00 0.09 -0.08 0.00 -0.77 0.00 0.00 57.85 57.09 1s72 n ARG 133 Cb 0.00 -1.77 -0.05 0.00 -1.02 0.00 0.00 32.46 29.62 1s72 n ARG 133 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1s72 n ASN 134 N -2.52 3.10 -4.07 0.55 3.02 -1.26 -4.92 115.26 109.17 1s72 n ASN 134 Ca 0.00 -0.06 -0.20 0.00 -0.03 0.00 0.00 54.58 54.29 1s72 n ASN 134 Cb 0.53 -0.18 -0.15 0.00 -0.61 0.00 0.00 39.78 39.38 1s72 n ASN 134 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1s72 s VAL 135 N -2.23 0.90 -0.25 2.41 0.11 -1.26 -4.41 120.40 115.67 1s72 s VAL 135 Ca -0.16 -0.57 -0.01 0.00 -2.93 0.00 0.00 61.98 58.32 1s72 s VAL 135 Cb 0.04 -0.77 0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1s72 s VAL 135 CO 0.27 0.19 -0.07 0.00 -3.33 0.00 0.00 175.10 172.16 1s72 s ALA 136 N -0.38 2.67 -0.26 1.54 0.00 0.62 -3.11 121.76 122.83 1s72 s ALA 136 Ca 0.03 -1.50 -0.19 0.00 0.00 0.00 0.00 51.96 50.30 1s72 s ALA 136 Cb -0.05 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 1s72 s ALA 136 CO -0.00 -0.86 0.58 0.08 0.00 0.00 0.00 175.76 175.56 1s72 s VAL 137 N 1.29 5.02 -0.00 0.00 1.01 -0.65 -0.38 120.40 126.69 1s72 s VAL 137 Ca -0.01 0.98 0.08 0.00 0.00 0.00 0.00 61.98 63.03 1s72 s VAL 137 Cb -0.17 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 1s72 s VAL 137 CO -0.05 0.03 -0.24 -0.69 0.00 0.00 0.00 175.10 174.15 1s72 s VAL 138 N 2.43 2.23 -0.35 2.92 1.01 0.84 -1.29 120.40 128.20 1s72 s VAL 138 Ca 0.24 -1.15 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 1s72 s VAL 138 Cb -0.15 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 1s72 s VAL 138 CO 0.09 0.51 0.23 -0.75 0.00 0.00 0.00 175.10 175.18 1s72 s LYS 139 N -0.84 3.33 0.74 2.72 2.20 0.23 0.14 119.74 128.27 1s72 s LYS 139 Ca 0.11 -0.75 -0.11 0.00 -0.36 0.00 0.00 55.97 54.86 1s72 s LYS 139 Cb -0.10 -3.77 0.04 0.00 -1.51 0.00 0.00 37.83 32.48 1s72 s LYS 139 CO 0.00 -0.50 1.10 -0.51 -0.36 0.00 0.00 175.35 175.08 1s72 s LEU 140 N 1.68 2.79 0.64 5.43 1.43 0.27 -0.82 118.68 130.09 1s72 s LEU 140 Ca 0.05 1.21 0.35 0.00 -1.03 0.00 0.00 54.13 54.72 1s72 s LEU 140 Cb -0.18 -3.94 1.97 0.00 0.03 0.00 0.00 46.19 44.07 1s72 s LEU 140 CO 0.09 -1.59 2.17 1.55 0.23 0.00 0.00 176.35 178.80 1s72 h PRO 141 N -0.83 0.00 0.00 1.29 0.13 -1.89 0.20 132.00 130.89 1s72 h PRO 141 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1s72 h PRO 141 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1s72 h PRO 141 CO 0.62 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.26 1s72 n SER 142 N -3.29 0.68 0.00 1.44 3.41 -1.26 -4.88 113.62 109.72 1s72 n SER 142 Ca -0.01 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1s72 n SER 142 Cb 0.23 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 1s72 n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s72 n GLY 143 N 0.92 0.42 3.78 5.00 0.00 0.69 -5.08 105.19 110.91 1s72 n GLY 143 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1s72 n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s72 s GLU 144 N -0.75 4.04 -0.42 1.61 2.12 -1.25 -4.73 118.70 119.31 1s72 s GLU 144 Ca 0.00 1.63 -0.20 0.00 0.36 0.00 0.00 54.97 56.76 1s72 s GLU 144 Cb 0.00 -2.53 0.02 0.00 0.26 0.00 0.00 34.13 31.88 1s72 s GLU 144 CO 0.00 -0.28 0.63 -1.64 -0.54 0.00 0.00 175.26 173.43 1s72 s MET 145 N -2.52 3.34 -0.17 4.30 -1.94 -1.26 -0.57 119.30 120.48 1s72 s MET 145 Ca 0.59 -0.32 -0.05 0.00 -1.71 0.00 0.00 55.69 54.20 1s72 s MET 145 Cb -0.25 -3.92 -0.03 0.00 2.01 0.00 0.00 34.83 32.63 1s72 s MET 145 CO 0.31 -0.95 -0.00 0.21 -0.01 0.00 0.00 175.02 174.58 1s72 s LYS 146 N 2.75 3.76 -0.26 2.03 2.47 0.37 -4.93 119.74 125.93 1s72 s LYS 146 Ca 0.22 -0.46 -0.19 0.00 -1.56 0.00 0.00 55.97 53.98 1s72 s LYS 146 Cb -0.14 -3.03 -0.02 0.00 -1.46 0.00 0.00 37.83 33.17 1s72 s LYS 146 CO 0.18 0.22 0.58 1.03 0.16 0.00 0.00 175.35 177.51 1s72 s ARG 147 N 0.46 4.07 0.10 4.03 0.52 -1.26 -0.11 118.95 126.76 1s72 s ARG 147 Ca -0.01 0.42 0.06 0.00 -0.52 0.00 0.00 55.73 55.68 1s72 s ARG 147 Cb -0.14 -3.66 -0.03 0.00 0.52 0.00 0.00 34.95 31.64 1s72 s ARG 147 CO 0.02 -0.40 -0.16 -0.51 0.02 0.00 0.00 175.30 174.27 1s72 s LEU 148 N 2.42 2.34 0.16 2.53 1.43 0.49 -4.94 118.68 123.11 1s72 s LEU 148 Ca 0.24 -0.72 -0.32 0.00 -1.03 0.00 0.00 54.13 52.30 1s72 s LEU 148 Cb -0.16 -0.64 -0.11 0.00 0.03 0.00 0.00 46.19 45.32 1s72 s LEU 148 CO 0.09 -0.07 1.67 -0.62 0.23 0.00 0.00 176.35 177.65 1s72 s ASP 149 N -2.11 6.49 0.00 2.29 -1.08 -1.26 -0.28 116.67 120.73 1s72 s ASP 149 Ca 0.05 2.71 0.00 0.00 -0.52 0.00 0.00 52.55 54.79 1s72 s ASP 149 Cb -0.08 -2.59 0.01 0.00 -1.46 0.00 0.00 42.92 38.80 1s72 s ASP 149 CO 0.03 -0.91 1.00 -0.81 0.52 0.00 0.00 175.17 175.01 1s72 n PRO 150 N 4.39 0.00 0.00 4.34 -0.04 -1.26 -0.60 135.00 141.82 1s72 n PRO 150 Ca 0.15 0.50 0.14 0.00 -0.04 0.00 0.00 63.50 64.25 1s72 n PRO 150 Cb 0.37 -1.50 0.55 0.00 -0.04 0.00 0.00 33.50 32.88 1s72 n PRO 150 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1s72 n GLN 151 N -1.50 0.03 -2.03 0.54 -0.06 -1.26 -1.40 117.38 111.69 1s72 n GLN 151 Ca -0.00 -0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.57 1s72 n GLN 151 Cb 0.00 -1.50 -0.03 0.00 -4.06 0.00 0.00 30.24 24.65 1s72 n GLN 151 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1s72 s ARG 153 N 2.55 3.59 0.21 0.00 0.52 -1.26 -0.83 118.95 123.73 1s72 s ARG 153 Ca 0.70 1.01 -0.17 0.00 -0.52 0.00 0.00 55.73 56.76 1s72 s ARG 153 Cb -0.37 -2.08 0.02 0.00 0.52 0.00 0.00 34.95 33.04 1s72 s ARG 153 CO 0.30 -0.57 0.53 0.00 0.02 0.00 0.00 175.30 175.58 1s72 s ALA 154 N -2.68 -0.82 -0.12 2.13 0.00 -0.72 -1.98 121.76 117.58 1s72 s ALA 154 Ca 0.60 -0.37 -0.00 0.00 0.00 0.00 0.00 51.96 52.18 1s72 s ALA 154 Cb -0.13 0.89 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 1s72 s ALA 154 CO 0.38 -0.84 -0.11 0.99 0.00 0.00 0.00 175.76 176.19 1s72 s THR 155 N -3.91 3.30 0.12 0.00 2.01 -0.09 -1.09 115.64 115.98 1s72 s THR 155 Ca 0.12 -0.59 -0.31 0.00 0.31 0.00 0.00 61.69 61.23 1s72 s THR 155 Cb -0.01 -2.39 -0.07 0.00 0.01 0.00 0.00 72.50 70.04 1s72 s THR 155 CO 0.01 0.53 1.31 -0.63 -0.69 0.00 0.00 174.62 175.15 1s72 s ILE 156 N 0.11 3.50 0.00 1.82 1.01 -0.01 -0.48 121.20 127.16 1s72 s ILE 156 Ca -0.05 1.11 0.00 0.00 0.00 0.00 0.00 60.65 61.72 1s72 s ILE 156 Cb -0.14 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.61 1s72 s ILE 156 CO 0.04 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.70 1s72 n GLY 157 N 3.16 0.93 3.80 6.18 0.00 -0.31 -1.30 105.19 117.66 1s72 n GLY 157 Ca 0.09 -2.28 -0.29 0.00 0.00 0.00 0.00 46.02 43.55 1s72 n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s72 s VAL 158 N -1.09 4.63 0.47 1.61 -7.23 -1.26 -2.98 120.40 114.55 1s72 s VAL 158 Ca 0.00 -0.85 -0.24 0.00 -1.81 0.00 0.00 61.98 59.08 1s72 s VAL 158 Cb 0.00 -3.29 -0.07 0.00 0.56 0.00 0.00 36.38 33.58 1s72 s VAL 158 CO 0.00 0.03 1.35 -0.69 -0.31 0.00 0.00 175.10 175.48 1s72 s VAL 159 N -1.55 2.29 1.03 1.32 1.01 -0.33 0.28 120.40 124.47 1s72 s VAL 159 Ca 0.31 0.24 -0.12 0.00 0.00 0.00 0.00 61.98 62.41 1s72 s VAL 159 Cb -0.11 -3.14 0.21 0.00 0.00 0.00 0.00 36.38 33.34 1s72 s VAL 159 CO 0.23 0.02 1.08 0.00 0.00 0.00 0.00 175.10 176.43 1s72 s ALA 160 N -1.28 0.64 -0.06 5.51 0.00 -0.68 -2.13 121.76 123.76 1s72 s ALA 160 Ca 0.64 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1s72 s ALA 160 Cb -0.40 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1s72 s ALA 160 CO 0.50 -3.06 0.00 0.41 0.00 0.00 0.00 175.76 173.61 1s72 n GLY 161 N -0.62 0.48 3.55 0.00 0.00 -1.26 -1.94 105.19 105.39 1s72 n GLY 161 Ca 0.05 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 1s72 n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s72 n GLY 162 N -2.71 -0.80 1.73 -0.02 0.00 -1.26 -2.99 105.19 99.15 1s72 n GLY 162 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1s72 n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s72 n GLY 163 N 1.48 0.79 0.37 -0.02 0.00 -1.26 -4.87 105.19 101.67 1s72 n GLY 163 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.23 1s72 n GLY 163 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1s72 h ARG 164 N 3.78 0.85 0.00 1.61 2.43 -1.89 -0.29 114.38 120.88 1s72 h ARG 164 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1s72 h ARG 164 Cb 0.00 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1s72 h ARG 164 CO 0.00 0.56 0.00 2.41 -1.51 0.00 0.00 179.97 181.43 1s72 n THR 165 N -4.61 0.84 0.24 0.20 -1.04 -1.26 -3.44 114.28 105.21 1s72 n THR 165 Ca 0.19 0.19 0.11 0.00 -2.04 0.00 0.00 64.05 62.50 1s72 n THR 165 Cb 0.41 -1.02 0.59 0.00 -1.82 0.00 0.00 70.33 68.49 1s72 n THR 165 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1s72 h ASP 166 N 0.00 0.00 -3.25 8.00 3.32 -1.45 -3.43 116.42 119.61 1s72 h ASP 166 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 1s72 h ASP 166 Cb 0.35 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.80 1s72 h ASP 166 CO 0.00 0.18 -0.36 -0.75 -1.72 0.00 0.00 179.24 176.59 1s72 s LYS 167 N -3.92 4.19 0.55 3.56 2.20 -1.22 -5.07 119.74 120.03 1s72 s LYS 167 Ca -0.01 0.03 -0.18 0.00 -0.36 0.00 0.00 55.97 55.44 1s72 s LYS 167 Cb 0.12 -3.41 -0.05 0.00 -1.51 0.00 0.00 37.83 32.98 1s72 s LYS 167 CO 0.61 0.29 1.07 -1.25 -0.36 0.00 0.00 175.35 175.71 1s72 s PRO 168 N 0.32 3.44 0.48 4.03 0.04 -1.26 -4.91 135.00 137.15 1s72 s PRO 168 Ca 0.15 1.36 0.27 0.00 0.04 0.00 0.00 61.00 62.83 1s72 s PRO 168 Cb -0.13 -2.04 1.09 0.00 0.04 0.00 0.00 34.50 33.47 1s72 s PRO 168 CO 0.03 -0.73 1.89 0.74 0.04 0.00 0.00 177.00 178.97 1s72 h PHE 169 N 0.95 0.00 0.00 0.56 -1.00 -1.97 -3.46 116.94 112.02 1s72 h PHE 169 Ca -0.48 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.30 1s72 h PHE 169 Cb 1.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.79 1s72 h PHE 169 CO 0.56 0.14 0.00 0.28 -1.61 0.00 0.00 178.31 177.68 1s72 n VAL 170 N -3.30 0.00 -4.41 -0.55 0.31 -1.26 -4.66 118.33 104.46 1s72 n VAL 170 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.10 1s72 n VAL 170 Cb 0.38 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.20 1s72 n VAL 170 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1s72 s LYS 171 N 0.00 1.50 0.24 5.55 -2.85 -1.26 -5.03 119.74 117.89 1s72 s LYS 171 Ca 0.00 -1.61 -0.06 0.00 -1.00 0.00 0.00 55.97 53.30 1s72 s LYS 171 Cb 0.00 -1.60 0.34 0.00 -2.06 0.00 0.00 37.83 34.52 1s72 s LYS 171 CO 0.00 0.31 1.83 0.00 0.10 0.00 0.00 175.35 177.59 1s72 h ALA 172 N 2.73 1.13 -0.71 0.59 0.00 -2.01 -2.22 119.26 118.78 1s72 h ALA 172 Ca -0.42 0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.60 1s72 h ALA 172 Cb 1.23 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1s72 h ALA 172 CO 0.56 0.17 0.47 0.78 0.00 0.00 0.00 179.25 181.23 1s72 h GLY 173 N 0.86 0.83 1.21 0.00 0.00 -1.96 0.08 103.07 104.09 1s72 h GLY 173 Ca 0.37 -0.24 -0.18 0.00 0.00 0.00 0.00 47.33 47.28 1s72 h GLY 173 CO -0.20 0.14 -0.55 3.43 0.00 0.00 0.00 176.54 179.35 1s72 h ASN 174 N 0.58 0.92 0.02 0.19 2.35 -1.67 -2.49 115.58 115.48 1s72 h ASN 174 Ca 0.33 -0.49 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1s72 h ASN 174 Cb 0.50 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1s72 h ASN 174 CO -0.11 1.28 -0.01 0.11 -1.65 0.00 0.00 177.43 177.05 1s72 h LYS 175 N 0.63 -0.02 -0.88 0.81 1.79 -1.34 -2.79 116.57 114.77 1s72 h LYS 175 Ca 0.01 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.57 1s72 h LYS 175 Cb 1.15 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.69 1s72 h LYS 175 CO 0.12 -0.01 -0.55 1.25 -1.08 0.00 0.00 179.45 179.18 1s72 h HIS 176 N -0.03 -1.74 -0.83 -1.35 2.76 -0.86 0.19 115.15 113.31 1s72 h HIS 176 Ca -0.00 0.12 0.09 0.00 -2.20 0.00 0.00 60.37 58.37 1s72 h HIS 176 Cb 0.02 0.87 -0.06 0.00 1.55 0.00 0.00 27.41 29.80 1s72 h HIS 176 CO -0.08 -0.40 0.54 0.45 -1.30 0.00 0.00 177.93 177.14 1s72 h HIS 177 N -0.08 0.86 -0.08 5.26 3.86 -1.28 -0.70 115.15 122.99 1s72 h HIS 177 Ca 0.17 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.36 1s72 h HIS 177 Cb 0.47 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.66 1s72 h HIS 177 CO -0.94 0.42 -0.11 -0.22 0.86 0.00 0.00 177.93 177.93 1s72 h LYS 178 N 0.82 0.22 -0.49 2.45 3.64 -0.71 -3.18 116.57 119.32 1s72 h LYS 178 Ca 0.37 -0.13 0.08 0.00 -1.27 0.00 0.00 60.65 59.70 1s72 h LYS 178 Cb 0.37 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1s72 h LYS 178 CO -0.15 0.69 0.33 1.98 -2.27 0.00 0.00 179.45 180.03 1s72 h MET 179 N -0.23 0.32 0.00 1.90 4.05 -0.08 0.49 114.93 121.39 1s72 h MET 179 Ca 0.01 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1s72 h MET 179 Cb 0.66 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 1s72 h MET 179 CO 0.03 0.21 0.00 -0.22 0.23 0.00 0.00 176.91 177.16 1s72 h LYS 180 N 0.33 0.00 -0.67 0.39 3.64 -1.12 -1.51 116.57 117.63 1s72 h LYS 180 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1s72 h LYS 180 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1s72 h LYS 180 CO -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.13 1s72 n ALA 181 N -1.86 2.41 -2.40 5.00 0.00 0.16 -4.74 120.51 119.08 1s72 n ALA 181 Ca -0.00 -1.32 -0.20 0.00 0.00 0.00 0.00 53.44 51.92 1s72 n ALA 181 Cb 0.13 -0.86 -0.10 0.00 0.00 0.00 0.00 19.45 18.61 1s72 n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1s72 s ARG 182 N -1.09 1.47 -1.28 0.00 1.81 -0.57 -4.70 118.95 114.60 1s72 s ARG 182 Ca 0.46 -1.72 -0.13 0.00 -1.72 0.00 0.00 55.73 52.61 1s72 s ARG 182 Cb 0.24 -1.09 0.14 0.00 -0.45 0.00 0.00 34.95 33.79 1s72 s ARG 182 CO 0.30 0.06 1.71 0.41 -0.68 0.00 0.00 175.30 177.11 1s72 n GLY 183 N -0.51 3.76 3.21 -3.53 0.00 -1.26 -4.52 105.19 102.33 1s72 n GLY 183 Ca -0.06 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 43.94 1s72 n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s72 s THR 184 N 1.90 0.04 -0.22 2.61 2.01 -1.26 -4.76 115.64 115.96 1s72 s THR 184 Ca 0.44 -0.33 -0.15 0.00 0.31 0.00 0.00 61.69 61.97 1s72 s THR 184 Cb 0.04 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 1s72 s THR 184 CO 0.01 -0.18 0.36 -0.75 -0.69 0.00 0.00 174.62 173.36 1s72 s LYS 185 N -0.81 4.12 -0.01 4.92 2.47 -1.26 -4.88 119.74 124.29 1s72 s LYS 185 Ca -0.09 0.10 -0.12 0.00 -1.56 0.00 0.00 55.97 54.30 1s72 s LYS 185 Cb -0.04 -3.57 0.02 0.00 -1.46 0.00 0.00 37.83 32.78 1s72 s LYS 185 CO 0.03 -0.08 0.25 -0.46 0.16 0.00 0.00 175.35 175.25 1s72 s TRP 186 N 1.46 -0.12 0.92 4.03 -0.00 -1.26 -4.75 118.94 119.23 1s72 s TRP 186 Ca 0.16 0.17 -0.16 0.00 -0.00 0.00 0.00 56.10 56.28 1s72 s TRP 186 Cb -0.15 0.05 0.23 0.00 -0.00 0.00 0.00 33.47 33.60 1s72 s TRP 186 CO 0.08 -0.34 0.84 -0.35 -0.00 0.00 0.00 176.95 177.17 1s72 n PRO 187 N 1.43 -2.56 -4.04 5.86 -0.04 -1.26 -5.12 135.00 129.28 1s72 n PRO 187 Ca -0.21 -1.34 -0.34 0.00 -0.04 0.00 0.00 63.50 61.57 1s72 n PRO 187 Cb 0.56 -1.23 -0.15 0.00 -0.04 0.00 0.00 33.50 32.63 1s72 n PRO 187 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1s72 s ASN 188 N -3.79 3.65 -0.03 3.54 0.01 -1.26 -5.10 114.94 111.97 1s72 s ASN 188 Ca 0.54 -0.67 -0.22 0.00 -0.71 0.00 0.00 52.86 51.80 1s72 s ASN 188 Cb -0.05 -1.57 -0.05 0.00 0.41 0.00 0.00 41.25 39.99 1s72 s ASN 188 CO 0.41 -0.03 0.66 -0.69 -1.51 0.00 0.00 177.10 175.93 1s72 s VAL 189 N 1.33 4.95 0.38 1.60 1.01 -1.26 -5.03 120.40 123.38 1s72 s VAL 189 Ca 0.04 1.37 -0.26 0.00 0.00 0.00 0.00 61.98 63.12 1s72 s VAL 189 Cb -0.14 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 1s72 s VAL 189 CO -0.09 0.34 1.23 -0.13 0.00 0.00 0.00 175.10 176.45 1s72 s ARG 190 N 0.26 4.11 0.20 2.72 0.52 -1.26 -4.94 118.95 120.57 1s72 s ARG 190 Ca 0.34 2.01 -0.10 0.00 -0.52 0.00 0.00 55.73 57.46 1s72 s ARG 190 Cb -0.18 -2.80 0.18 0.00 0.52 0.00 0.00 34.95 32.66 1s72 s ARG 190 CO 0.18 -0.32 1.85 0.78 0.02 0.00 0.00 175.30 177.80 1s72 h GLY 191 N 2.85 0.98 2.00 -3.53 0.00 -1.96 -1.20 103.07 102.22 1s72 h GLY 191 Ca -0.49 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1s72 h GLY 191 CO 0.63 0.28 0.00 -0.62 0.00 0.00 0.00 176.54 176.83 1s72 n VAL 192 N -4.67 1.42 0.94 4.60 0.31 -1.26 -0.85 118.33 118.82 1s72 n VAL 192 Ca 0.07 0.43 0.12 0.00 -0.01 0.00 0.00 64.34 64.95 1s72 n VAL 192 Cb 0.08 -1.35 0.26 0.00 -0.91 0.00 0.00 33.84 31.92 1s72 n VAL 192 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s72 n ALA 193 N -1.57 2.48 -2.05 3.52 0.00 -0.45 -4.60 120.51 117.82 1s72 n ALA 193 Ca 0.01 -0.70 -0.20 0.00 0.00 0.00 0.00 53.44 52.55 1s72 n ALA 193 Cb 0.08 -0.94 0.06 0.00 0.00 0.00 0.00 19.45 18.65 1s72 n ALA 193 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1s72 s MET 194 N -1.82 2.29 0.42 0.00 -1.94 -0.03 -4.98 119.30 113.24 1s72 s MET 194 Ca 0.34 -1.67 -0.07 0.00 -1.71 0.00 0.00 55.69 52.57 1s72 s MET 194 Cb 0.21 -2.62 -0.05 0.00 2.01 0.00 0.00 34.83 34.38 1s72 s MET 194 CO 0.31 -0.86 0.74 -0.80 -0.01 0.00 0.00 175.02 174.40 1s72 s ASN 195 N -4.66 6.40 0.27 3.03 0.01 -1.26 -0.98 114.94 117.74 1s72 s ASN 195 Ca 0.61 0.97 -0.01 0.00 -0.71 0.00 0.00 52.86 53.73 1s72 s ASN 195 Cb -0.05 -2.26 0.56 0.00 0.41 0.00 0.00 41.25 39.90 1s72 s ASN 195 CO 0.38 -0.45 1.75 0.00 -1.51 0.00 0.00 177.10 177.27 1s72 h ALA 196 N 0.86 1.28 -0.17 0.60 0.00 -1.81 -0.85 119.26 119.16 1s72 h ALA 196 Ca -0.47 0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.59 1s72 h ALA 196 Cb 1.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1s72 h ALA 196 CO 0.63 -0.15 0.13 -0.24 0.00 0.00 0.00 179.25 179.62 1s72 h VAL 197 N 0.56 0.84 0.00 0.00 3.04 -1.93 -3.03 116.25 115.73 1s72 h VAL 197 Ca 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.16 1s72 h VAL 197 Cb 0.72 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1s72 h VAL 197 CO -0.40 0.00 -1.02 0.47 -1.01 0.00 0.00 177.57 175.62 1s72 n ASP 198 N -4.38 0.66 -3.58 3.17 8.00 -0.34 -1.03 116.55 119.05 1s72 n ASP 198 Ca 0.01 0.06 -0.14 0.00 0.71 0.00 0.00 54.79 55.43 1s72 n ASP 198 Cb 0.26 0.65 -0.06 0.00 -0.02 0.00 0.00 41.12 41.95 1s72 n ASP 198 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1s72 s HIS 199 N -3.27 -0.62 0.65 1.24 2.46 -1.15 -4.51 115.29 110.09 1s72 s HIS 199 Ca 0.02 1.29 0.37 0.00 0.47 0.00 0.00 55.06 57.21 1s72 s HIS 199 Cb 0.12 0.37 2.07 0.00 -0.13 0.00 0.00 32.58 35.02 1s72 s HIS 199 CO 0.79 -0.44 2.22 -1.00 -2.47 0.00 0.00 174.74 173.83 1s72 h PRO 200 N 3.69 0.00 -0.02 2.88 0.13 -1.85 0.18 132.00 137.01 1s72 h PRO 200 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1s72 h PRO 200 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1s72 h PRO 200 CO 0.24 0.00 -0.07 1.19 -0.23 0.00 0.00 178.00 179.12 1s72 n PHE 201 N -3.22 0.00 -1.44 1.56 0.99 -1.26 -4.46 117.46 109.63 1s72 n PHE 201 Ca -0.02 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.13 1s72 n PHE 201 Cb 0.18 -0.00 0.11 0.00 -1.00 0.00 0.00 39.48 38.77 1s72 n PHE 201 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1s72 s GLY 202 N -2.08 1.62 0.00 1.37 0.00 0.62 -4.03 107.32 104.81 1s72 s GLY 202 Ca 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.83 1s72 s GLY 202 CO 0.35 0.28 0.00 0.61 0.00 0.00 0.00 173.10 174.34 1s72 n GLY 203 N -1.80 -3.21 0.00 0.20 0.00 -0.15 -3.87 105.19 96.36 1s72 n GLY 203 Ca 0.07 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1s72 n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s72 n GLY 204 N -0.22 0.84 0.17 -0.02 0.00 -1.26 -4.74 105.19 99.96 1s72 n GLY 204 Ca 0.00 -1.73 0.13 0.00 0.00 0.00 0.00 46.02 44.42 1s72 n GLY 204 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1s72 h GLY 205 N 0.00 0.00 -2.28 -0.02 0.00 -2.00 -3.45 103.07 95.32 1s72 h GLY 205 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 1s72 h GLY 205 CO 0.00 0.00 -0.41 1.09 0.00 0.00 0.00 176.54 177.22 1s72 s ARG 206 N -3.26 1.47 -0.27 4.80 1.70 -1.26 -5.13 118.95 116.99 1s72 s ARG 206 Ca 0.07 -1.60 -0.17 0.00 -0.47 0.00 0.00 55.73 53.55 1s72 s ARG 206 Cb 0.09 0.36 -0.03 0.00 -0.57 0.00 0.00 34.95 34.80 1s72 s ARG 206 CO 0.57 -0.55 0.49 -0.65 -1.08 0.00 0.00 175.30 174.08 1s72 s GLN 207 N -3.86 4.00 -0.14 3.89 -0.21 -1.26 -4.98 119.66 117.09 1s72 s GLN 207 Ca 0.34 0.21 -0.31 0.00 0.02 0.00 0.00 55.36 55.62 1s72 s GLN 207 Cb 0.03 -3.67 0.13 0.00 1.00 0.00 0.00 33.01 30.50 1s72 s GLN 207 CO 0.14 -0.38 1.05 -3.38 -2.12 0.00 0.00 175.29 170.60 1s72 s HIS 208 N 2.28 -0.29 0.43 0.91 -3.43 -1.26 -5.10 115.29 108.83 1s72 s HIS 208 Ca 0.20 0.38 -0.23 0.00 -0.80 0.00 0.00 55.06 54.60 1s72 s HIS 208 Cb -0.16 0.49 -0.08 0.00 -1.43 0.00 0.00 32.58 31.40 1s72 s HIS 208 CO 0.10 -0.33 1.09 -1.25 -2.00 0.00 0.00 174.74 172.34 1s72 s PRO 209 N -1.80 3.99 0.05 -0.38 0.04 -1.26 -4.89 135.00 130.75 1s72 s PRO 209 Ca 0.03 1.58 -0.23 0.00 0.04 0.00 0.00 61.00 62.42 1s72 s PRO 209 Cb -0.01 -2.45 -0.15 0.00 0.04 0.00 0.00 34.50 31.93 1s72 s PRO 209 CO -0.03 -0.31 1.52 0.78 0.04 0.00 0.00 177.00 179.00 1s72 h GLY 210 N 2.25 0.12 0.00 0.56 0.00 -1.80 -3.46 103.07 100.74 1s72 h GLY 210 Ca -0.49 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1s72 h GLY 210 CO 0.61 0.07 0.00 0.28 0.00 0.00 0.00 176.54 177.51 1s72 n LYS 211 N -4.90 2.26 -2.58 4.80 5.02 -1.26 -5.11 118.16 116.39 1s72 n LYS 211 Ca -0.07 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.88 1s72 n LYS 211 Cb 0.16 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.13 1s72 n LYS 211 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1s72 s PRO 212 N -1.19 3.94 0.48 1.97 0.04 -1.26 -4.97 135.00 134.01 1s72 s PRO 212 Ca 0.00 1.37 0.27 0.00 0.04 0.00 0.00 61.00 62.69 1s72 s PRO 212 Cb 0.00 -2.22 0.87 0.00 0.04 0.00 0.00 34.50 33.20 1s72 s PRO 212 CO 0.00 -0.31 1.80 0.87 0.04 0.00 0.00 177.00 179.40 1s72 h LYS 213 N 1.84 0.00 -6.37 4.56 1.57 -1.95 -3.43 116.57 112.78 1s72 h LYS 213 Ca -0.49 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.72 1s72 h LYS 213 Cb 1.21 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.47 1s72 h LYS 213 CO 0.60 0.07 0.96 -1.12 -0.57 0.00 0.00 179.45 179.38 1s72 s SER 214 N -5.99 6.69 -0.01 0.86 0.01 -1.26 -0.91 113.70 113.09 1s72 s SER 214 Ca 0.03 1.15 0.01 0.00 1.31 0.00 0.00 55.95 58.45 1s72 s SER 214 Cb 0.08 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 1s72 s SER 214 CO 0.61 -1.07 0.02 -0.51 0.41 0.00 0.00 173.24 172.70 1s72 s ILE 215 N 4.32 4.32 0.68 1.44 1.10 -0.73 -4.94 121.20 127.40 1s72 s ILE 215 Ca 0.55 -0.51 -0.16 0.00 -0.51 0.00 0.00 60.65 60.02 1s72 s ILE 215 Cb -0.16 -2.93 0.01 0.00 0.15 0.00 0.00 42.46 39.54 1s72 s ILE 215 CO 0.23 0.40 1.20 -0.55 -2.11 0.00 0.00 174.94 174.10 1s72 s SER 216 N -1.52 4.62 0.37 4.50 0.15 -1.26 -0.53 113.70 120.03 1s72 s SER 216 Ca 0.20 2.33 0.05 0.00 0.70 0.00 0.00 55.95 59.22 1s72 s SER 216 Cb -0.12 -2.59 0.71 0.00 -1.71 0.00 0.00 66.02 62.31 1s72 s SER 216 CO 0.10 -1.97 1.97 0.03 1.20 0.00 0.00 173.24 174.57 1s72 h ARG 217 N 0.13 0.60 0.00 5.44 2.47 -1.95 -2.36 114.38 118.71 1s72 h ARG 217 Ca -0.48 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.16 1s72 h ARG 217 Cb 1.29 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 1s72 h ARG 217 CO 0.52 0.48 0.00 0.09 0.56 0.00 0.00 179.97 181.62 1s72 n ASN 218 N -4.39 0.00 -4.75 7.04 3.02 -1.26 -4.88 115.26 110.04 1s72 n ASN 218 Ca 0.03 -0.31 -0.41 0.00 -0.03 0.00 0.00 54.58 53.86 1s72 n ASN 218 Cb 0.13 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 1s72 n ASN 218 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s72 n ALA 219 N -1.21 2.06 -1.72 5.41 0.00 -0.89 -4.97 120.51 119.19 1s72 n ALA 219 Ca 0.15 0.33 -0.32 0.00 0.00 0.00 0.00 53.44 53.60 1s72 n ALA 219 Cb 0.19 -2.37 0.01 0.00 0.00 0.00 0.00 19.45 17.27 1s72 n ALA 219 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1s72 s PRO 220 N -2.10 3.45 0.43 0.00 0.04 -1.26 -4.62 135.00 130.94 1s72 s PRO 220 Ca 0.55 1.04 -0.26 0.00 0.04 0.00 0.00 61.00 62.37 1s72 s PRO 220 Cb -0.49 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 31.90 1s72 s PRO 220 CO 0.63 -0.69 1.41 -1.25 0.04 0.00 0.00 177.00 177.14 1s72 s PRO 221 N -4.38 3.81 0.00 0.56 0.04 -1.26 -1.05 135.00 132.71 1s72 s PRO 221 Ca 0.60 2.39 0.00 0.00 0.04 0.00 0.00 61.00 64.03 1s72 s PRO 221 Cb -0.13 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.68 1s72 s PRO 221 CO 0.41 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 177.15 1s72 n GLY 222 N 0.58 2.87 0.00 0.56 0.00 -1.26 -4.76 105.19 103.18 1s72 n GLY 222 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1s72 n GLY 222 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1s72 n ARG 223 N -1.06 1.88 -2.32 1.61 0.63 -0.22 -4.73 116.66 112.45 1s72 n ARG 223 Ca 0.00 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.54 1s72 n ARG 223 Cb 0.00 -0.91 -0.03 0.00 0.45 0.00 0.00 32.46 31.97 1s72 n ARG 223 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1s72 s LYS 224 N -1.69 2.98 0.15 -0.14 2.20 -0.81 -4.89 119.74 117.54 1s72 s LYS 224 Ca 0.00 -0.07 -0.10 0.00 -0.36 0.00 0.00 55.97 55.43 1s72 s LYS 224 Cb 0.00 -4.50 -0.00 0.00 -1.51 0.00 0.00 37.83 31.82 1s72 s LYS 224 CO 0.00 -2.49 0.30 0.14 -0.36 0.00 0.00 175.35 172.94 1s72 s VAL 225 N 7.24 0.08 0.00 4.02 -7.23 -1.26 -4.99 120.40 118.25 1s72 s VAL 225 Ca 0.51 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 1s72 s VAL 225 Cb -0.08 -1.67 0.00 0.00 0.56 0.00 0.00 36.38 35.18 1s72 s VAL 225 CO 0.12 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.17 1s72 n GLY 226 N -0.20 0.57 3.40 2.32 0.00 -1.26 -4.56 105.19 105.45 1s72 n GLY 226 Ca -0.10 -1.10 -0.45 0.00 0.00 0.00 0.00 46.02 44.38 1s72 n GLY 226 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s72 s ASP 227 N -4.00 6.34 -0.12 1.61 1.01 -0.08 -4.97 116.67 116.46 1s72 s ASP 227 Ca 0.00 -1.64 -0.29 0.00 0.71 0.00 0.00 52.55 51.33 1s72 s ASP 227 Cb 0.00 -2.33 -0.05 0.00 1.01 0.00 0.00 42.92 41.55 1s72 s ASP 227 CO 0.00 -1.10 1.75 -0.63 0.21 0.00 0.00 175.17 175.41 1s72 s ILE 228 N 2.62 3.47 -1.75 0.77 1.01 -1.26 -1.77 121.20 124.29 1s72 s ILE 228 Ca 0.18 0.55 -0.17 0.00 0.00 0.00 0.00 60.65 61.21 1s72 s ILE 228 Cb -0.17 -3.43 0.16 0.00 0.01 0.00 0.00 42.46 39.03 1s72 s ILE 228 CO 0.02 -0.13 0.54 0.00 0.00 0.00 0.00 174.94 175.36 1s72 n ALA 229 N 8.22 -1.42 -1.76 9.38 0.00 0.31 -4.82 120.51 130.42 1s72 n ALA 229 Ca 0.20 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1s72 n ALA 229 Cb 0.44 -2.42 -0.03 0.00 0.00 0.00 0.00 19.45 17.44 1s72 n ALA 229 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1s72 s SER 230 N -3.54 6.45 0.47 0.00 1.04 -1.23 -4.85 113.70 112.04 1s72 s SER 230 Ca 0.61 2.73 0.26 0.00 0.48 0.00 0.00 55.95 60.04 1s72 s SER 230 Cb -0.35 -2.57 0.80 0.00 0.10 0.00 0.00 66.02 64.00 1s72 s SER 230 CO 0.99 -0.97 1.77 0.11 0.98 0.00 0.00 173.24 176.12 1s72 h LYS 231 N 8.08 0.00 -1.89 4.02 1.57 -1.96 -3.47 116.57 122.92 1s72 h LYS 231 Ca -0.45 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 58.57 1s72 h LYS 231 Cb 1.21 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.41 1s72 h LYS 231 CO 0.95 0.09 0.65 -0.98 -0.57 0.00 0.00 179.45 179.59 1s72 s ARG 232 N -3.44 0.76 0.29 3.15 1.70 -1.26 -5.19 118.95 114.95 1s72 s ARG 232 Ca 0.03 -0.40 0.02 0.00 -0.47 0.00 0.00 55.73 54.91 1s72 s ARG 232 Cb 0.08 0.27 -0.03 0.00 -0.57 0.00 0.00 34.95 34.70 1s72 s ARG 232 CO 0.62 -0.35 0.28 0.95 -1.08 0.00 0.00 175.30 175.73 1s72 s THR 233 N -2.84 0.00 0.00 4.99 -4.23 -1.26 -5.12 115.64 107.18 1s72 s THR 233 Ca 0.12 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1s72 s THR 233 Cb 0.01 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1s72 s THR 233 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1s72 n GLY 234 N -0.48 -0.79 0.00 3.99 0.00 -1.26 -4.70 105.19 101.95 1s72 n GLY 234 Ca 0.04 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1s72 n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s72 n ARG 235 N -0.04 2.75 -1.65 1.61 1.74 -1.26 -5.08 116.66 114.73 1s72 n ARG 235 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 1s72 n ARG 235 Cb 0.00 -0.89 0.02 0.00 -1.02 0.00 0.00 32.46 30.57 1s72 n ARG 235 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s72 n GLY 236 N 2.34 0.09 1.51 -0.13 0.00 -1.26 -5.29 105.19 102.45 1s72 n GLY 236 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1s72 n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93