#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pp9 n HIS 2 N 0.00 0.71 1.90 0.66 -0.00 -1.26 -0.81 115.22 116.42 1pp9 n HIS 2 Ca 0.00 0.29 0.15 0.00 -0.00 0.00 0.00 57.72 58.17 1pp9 n HIS 2 Cb 0.00 -0.97 0.90 0.00 -0.00 0.00 0.00 29.99 29.92 1pp9 n HIS 2 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1pp9 n THR 3 N -2.16 0.00 1.41 0.61 -2.24 -1.26 -2.27 114.28 108.37 1pp9 n THR 3 Ca 0.02 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.93 1pp9 n THR 3 Cb 0.19 -0.52 0.46 0.00 -2.10 0.00 0.00 70.33 68.35 1pp9 n THR 3 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1pp9 n ASP 4 N -1.01 1.57 -4.59 3.42 8.00 0.01 -4.82 116.55 119.13 1pp9 n ASP 4 Ca 0.23 -1.45 -0.42 0.00 0.71 0.00 0.00 54.79 53.86 1pp9 n ASP 4 Cb 0.11 0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.18 1pp9 n ASP 4 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1pp9 s ILE 5 N -2.09 4.86 0.04 0.53 1.01 -0.96 -5.05 121.20 119.54 1pp9 s ILE 5 Ca 0.35 0.85 0.08 0.00 0.00 0.00 0.00 60.65 61.92 1pp9 s ILE 5 Cb 0.21 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 1pp9 s ILE 5 CO 0.36 -0.26 -0.21 -0.75 0.00 0.00 0.00 174.94 174.08 1pp9 s LYS 6 N 2.79 1.44 0.16 2.79 2.20 -1.26 -5.10 119.74 122.76 1pp9 s LYS 6 Ca 0.27 -0.96 -0.30 0.00 -0.36 0.00 0.00 55.97 54.62 1pp9 s LYS 6 Cb -0.14 -1.57 -0.08 0.00 -1.51 0.00 0.00 37.83 34.53 1pp9 s LYS 6 CO 0.14 0.40 1.30 0.08 -0.36 0.00 0.00 175.35 176.91 1pp9 s VAL 7 N -0.80 3.38 0.86 4.02 1.01 -1.26 -4.99 120.40 122.62 1pp9 s VAL 7 Ca 0.08 1.08 -0.11 0.00 0.00 0.00 0.00 61.98 63.03 1pp9 s VAL 7 Cb -0.09 -3.69 0.11 0.00 0.00 0.00 0.00 36.38 32.71 1pp9 s VAL 7 CO 0.02 0.13 1.16 -2.84 0.00 0.00 0.00 175.10 173.57 1pp9 s PRO 8 N 0.35 1.39 0.12 2.72 0.02 -1.26 -4.94 135.00 133.39 1pp9 s PRO 8 Ca 0.59 1.58 -0.30 0.00 0.02 0.00 0.00 61.00 62.88 1pp9 s PRO 8 Cb -0.35 -1.77 -0.07 0.00 0.02 0.00 0.00 34.50 32.33 1pp9 s PRO 8 CO 0.35 -2.36 1.23 0.34 -0.33 0.00 0.00 177.00 176.22 1pp9 s ASP 9 N -2.57 7.03 0.00 2.53 2.15 -1.26 -4.93 116.67 119.62 1pp9 s ASP 9 Ca 0.68 2.15 0.05 0.00 0.43 0.00 0.00 52.55 55.87 1pp9 s ASP 9 Cb -0.24 -2.59 0.13 0.00 -0.30 0.00 0.00 42.92 39.92 1pp9 s ASP 9 CO 0.55 -0.47 1.06 0.49 -0.17 0.00 0.00 175.17 176.63 1pp9 n PHE 10 N 3.39 0.19 -0.02 -5.34 3.72 -1.26 -4.75 117.46 113.40 1pp9 n PHE 10 Ca 0.08 -0.43 0.24 0.00 -0.05 0.00 0.00 57.45 57.28 1pp9 n PHE 10 Cb 0.45 -0.03 0.69 0.00 -0.94 0.00 0.00 39.48 39.64 1pp9 n PHE 10 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1pp9 h SER 11 N 0.98 0.00 1.15 4.37 4.64 -1.96 0.41 113.55 123.13 1pp9 h SER 11 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pp9 h SER 11 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1pp9 h SER 11 CO 0.00 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.29 1pp9 n ASP 12 N -3.68 0.58 -0.01 4.97 2.03 -1.26 -3.62 116.55 115.55 1pp9 n ASP 12 Ca 0.13 0.58 0.04 0.00 0.52 0.00 0.00 54.79 56.05 1pp9 n ASP 12 Cb 0.87 -0.72 -0.07 0.00 -0.72 0.00 0.00 41.12 40.47 1pp9 n ASP 12 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1pp9 n TYR 13 N -2.06 0.00 -1.78 -0.67 4.01 0.14 -5.05 117.16 111.74 1pp9 n TYR 13 Ca 0.05 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.41 1pp9 n TYR 13 Cb 0.35 -0.22 0.04 0.00 -0.31 0.00 0.00 39.34 39.20 1pp9 n TYR 13 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1pp9 s ARG 14 N -2.59 3.14 0.48 -0.72 0.52 -0.83 -4.97 118.95 113.98 1pp9 s ARG 14 Ca -0.03 2.23 -0.22 0.00 -0.52 0.00 0.00 55.73 57.19 1pp9 s ARG 14 Cb 0.06 -2.26 -0.07 0.00 0.52 0.00 0.00 34.95 33.20 1pp9 s ARG 14 CO 0.37 -1.19 1.11 1.03 0.02 0.00 0.00 175.30 176.65 1pp9 s ARG 15 N -2.91 3.70 0.33 3.54 0.52 -1.26 -4.90 118.95 117.97 1pp9 s ARG 15 Ca 0.72 1.61 0.08 0.00 -0.52 0.00 0.00 55.73 57.61 1pp9 s ARG 15 Cb -0.40 -2.24 0.78 0.00 0.52 0.00 0.00 34.95 33.61 1pp9 s ARG 15 CO 0.48 -0.56 1.82 -1.35 0.02 0.00 0.00 175.30 175.71 1pp9 h PRO 16 N 1.76 0.71 0.00 3.54 0.11 -1.97 -2.33 132.00 133.83 1pp9 h PRO 16 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1pp9 h PRO 16 Cb 1.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1pp9 h PRO 16 CO 0.59 0.47 0.00 -0.85 -0.21 0.00 0.00 178.00 178.00 1pp9 n GLU 17 N -4.65 0.14 -0.88 1.05 0.00 -1.26 -2.26 120.64 112.79 1pp9 n GLU 17 Ca 0.21 0.54 -0.02 0.00 0.00 0.00 0.00 57.16 57.89 1pp9 n GLU 17 Cb 0.53 -1.88 0.18 0.00 0.00 0.00 0.00 31.44 30.27 1pp9 n GLU 17 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1pp9 n VAL 18 N -2.17 2.39 0.15 3.84 0.24 -0.87 -4.69 118.33 117.21 1pp9 n VAL 18 Ca -0.00 -3.24 0.12 0.00 -2.04 0.00 0.00 64.34 59.18 1pp9 n VAL 18 Cb 0.10 -0.41 0.07 0.00 -1.47 0.00 0.00 33.84 32.13 1pp9 n VAL 18 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1pp9 h LEU 19 N 1.18 0.00 -8.67 1.34 3.38 -1.55 -3.44 115.31 107.54 1pp9 h LEU 19 Ca 0.13 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.45 1pp9 h LEU 19 Cb 1.27 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.87 1pp9 h LEU 19 CO 0.25 0.00 0.06 -0.62 0.09 0.00 0.00 178.44 178.23 1pp9 s ASP 20 N -5.72 6.34 0.00 -0.43 -1.08 -1.26 -4.92 116.67 109.59 1pp9 s ASP 20 Ca 0.03 -0.17 0.17 0.00 -0.52 0.00 0.00 52.55 52.05 1pp9 s ASP 20 Cb 0.08 -2.30 0.80 0.00 -1.46 0.00 0.00 42.92 40.04 1pp9 s ASP 20 CO 0.74 -0.65 1.52 -1.54 0.52 0.00 0.00 175.17 175.76 1pp9 n SER 21 N 6.03 0.00 -1.23 -0.34 3.41 -1.26 -2.31 113.62 117.91 1pp9 n SER 21 Ca -0.03 0.23 0.12 0.00 -0.26 0.00 0.00 58.87 58.94 1pp9 n SER 21 Cb 0.48 -0.38 0.25 0.00 -0.26 0.00 0.00 64.21 64.31 1pp9 n SER 21 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1pp9 n THR 22 N -1.38 0.66 -4.38 6.66 -2.24 -1.26 -4.95 114.28 107.39 1pp9 n THR 22 Ca 0.06 -0.83 -0.29 0.00 -2.27 0.00 0.00 64.05 60.73 1pp9 n THR 22 Cb 0.16 0.84 -0.12 0.00 -2.10 0.00 0.00 70.33 69.11 1pp9 n THR 22 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1pp9 s LYS 23 N -1.34 1.49 0.14 -0.78 -0.14 -0.98 -5.11 119.74 113.02 1pp9 s LYS 23 Ca 0.42 -1.35 -0.30 0.00 -1.36 0.00 0.00 55.97 53.38 1pp9 s LYS 23 Cb 0.24 -1.93 -0.07 0.00 -1.68 0.00 0.00 37.83 34.39 1pp9 s LYS 23 CO 0.33 0.45 1.18 0.45 -0.76 0.00 0.00 175.35 176.99 1pp9 s SER 24 N -2.19 7.12 0.14 2.83 0.15 -1.26 -4.91 113.70 115.58 1pp9 s SER 24 Ca 0.16 2.12 0.27 0.00 0.70 0.00 0.00 55.95 59.20 1pp9 s SER 24 Cb -0.10 -2.60 0.88 0.00 -1.71 0.00 0.00 66.02 62.49 1pp9 s SER 24 CO 0.07 -0.37 1.77 -1.20 1.20 0.00 0.00 173.24 174.71 1pp9 n SER 25 N 2.98 0.58 0.26 5.45 7.64 -1.26 -3.35 113.62 125.91 1pp9 n SER 25 Ca 0.06 0.49 0.12 0.00 1.01 0.00 0.00 58.87 60.54 1pp9 n SER 25 Cb 0.46 -0.60 0.70 0.00 -1.01 0.00 0.00 64.21 63.75 1pp9 n SER 25 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1pp9 h LYS 26 N 0.00 0.00 0.00 1.43 1.57 -1.98 -2.06 116.57 115.53 1pp9 h LYS 26 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1pp9 h LYS 26 Cb 0.67 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 1pp9 h LYS 26 CO 0.00 0.13 -0.04 0.93 -0.57 0.00 0.00 179.45 179.89 1pp9 h GLU 27 N 0.00 0.00 -0.00 3.15 5.08 -1.97 -2.96 114.58 117.87 1pp9 h GLU 27 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pp9 h GLU 27 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1pp9 h GLU 27 CO 0.02 0.04 -0.04 -1.13 -1.00 0.00 0.00 179.01 176.90 1pp9 n SER 28 N -3.50 0.97 -0.19 1.42 3.41 -0.82 -4.76 113.62 110.14 1pp9 n SER 28 Ca -0.02 -0.98 -0.02 0.00 -0.26 0.00 0.00 58.87 57.58 1pp9 n SER 28 Cb 0.16 0.28 0.08 0.00 -0.26 0.00 0.00 64.21 64.47 1pp9 n SER 28 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1pp9 h SER 29 N 0.48 0.37 -0.31 4.04 4.64 -1.27 0.21 113.55 121.72 1pp9 h SER 29 Ca 0.00 0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 1pp9 h SER 29 Cb 0.12 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1pp9 h SER 29 CO 0.00 0.24 0.04 -0.33 -0.87 0.00 0.00 176.83 175.91 1pp9 h GLU 30 N 0.52 0.62 -0.38 4.77 5.08 -1.86 0.24 114.58 123.57 1pp9 h GLU 30 Ca 0.27 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.34 1pp9 h GLU 30 Cb 0.23 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1pp9 h GLU 30 CO -0.21 0.62 -0.38 0.00 -1.00 0.00 0.00 179.01 178.03 1pp9 h ALA 31 N 1.45 0.56 -0.37 3.43 0.00 -1.68 -0.15 119.26 122.50 1pp9 h ALA 31 Ca 0.13 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 1pp9 h ALA 31 Cb 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1pp9 h ALA 31 CO 0.01 0.67 -0.39 0.00 0.00 0.00 0.00 179.25 179.54 1pp9 h ARG 32 N 0.76 0.92 -0.14 0.00 3.08 -0.52 -2.15 114.38 116.33 1pp9 h ARG 32 Ca 0.06 -0.49 -0.14 0.00 0.07 0.00 0.00 59.98 59.48 1pp9 h ARG 32 Cb 0.98 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1pp9 h ARG 32 CO 0.10 1.14 -0.51 0.87 -1.07 0.00 0.00 179.97 180.50 1pp9 h LYS 33 N 0.73 0.39 -0.82 0.04 1.57 -0.96 -3.00 116.57 114.52 1pp9 h LYS 33 Ca 0.06 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 1pp9 h LYS 33 Cb 0.99 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.28 1pp9 h LYS 33 CO 0.10 0.81 0.38 0.78 -0.57 0.00 0.00 179.45 180.95 1pp9 h GLY 34 N 1.22 1.27 0.82 3.86 0.00 -0.89 -0.50 103.07 108.86 1pp9 h GLY 34 Ca 0.01 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 1pp9 h GLY 34 CO 0.09 0.61 -0.08 -2.75 0.00 0.00 0.00 176.54 174.40 1pp9 h PHE 35 N 1.17 -0.21 -0.53 5.60 -0.00 -1.27 -0.74 116.94 120.96 1pp9 h PHE 35 Ca 0.28 -0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 58.17 1pp9 h PHE 35 Cb 0.13 0.07 -0.02 0.00 -0.00 0.00 0.00 35.95 36.13 1pp9 h PHE 35 CO 0.02 0.01 0.04 0.77 -0.00 0.00 0.00 178.31 179.15 1pp9 h SER 36 N -0.41 0.89 0.62 0.41 0.02 -1.46 -2.51 113.55 111.11 1pp9 h SER 36 Ca -0.02 -0.29 -0.06 0.00 -0.84 0.00 0.00 61.79 60.57 1pp9 h SER 36 Cb 0.32 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1pp9 h SER 36 CO 0.04 0.96 -0.31 1.88 -1.14 0.00 0.00 176.83 178.26 1pp9 h TYR 37 N 0.79 0.00 -0.25 3.45 0.99 -1.10 -2.26 116.97 118.59 1pp9 h TYR 37 Ca 0.16 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.75 1pp9 h TYR 37 Cb 0.48 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.20 1pp9 h TYR 37 CO 0.04 0.31 -0.42 1.25 -0.00 0.00 0.00 178.16 179.33 1pp9 h LEU 38 N 0.00 0.65 -0.66 3.88 5.85 -0.81 0.69 115.31 124.90 1pp9 h LEU 38 Ca -0.00 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.37 1pp9 h LEU 38 Cb 0.70 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1pp9 h LEU 38 CO 0.04 0.98 0.22 0.58 -0.34 0.00 0.00 178.44 179.92 1pp9 h VAL 39 N 0.49 1.25 -0.39 1.05 2.07 -1.00 -1.87 116.25 117.85 1pp9 h VAL 39 Ca 0.04 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 1pp9 h VAL 39 Cb 0.94 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1pp9 h VAL 39 CO 0.08 0.33 -0.03 0.74 0.02 0.00 0.00 177.57 178.71 1pp9 h THR 40 N 0.95 1.27 -0.31 2.57 2.02 -0.98 -2.37 112.91 116.05 1pp9 h THR 40 Ca 0.21 -1.06 -0.06 0.00 0.77 0.00 0.00 66.41 66.28 1pp9 h THR 40 Cb 0.28 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1pp9 h THR 40 CO -0.01 0.36 -0.03 0.00 0.37 0.00 0.00 175.52 176.21 1pp9 h ALA 41 N 0.87 0.42 -0.61 6.16 0.00 -0.79 -1.92 119.26 123.39 1pp9 h ALA 41 Ca 0.11 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1pp9 h ALA 41 Cb 0.52 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1pp9 h ALA 41 CO 0.03 0.20 0.40 1.15 0.00 0.00 0.00 179.25 181.03 1pp9 h THR 42 N 0.36 1.15 -0.55 0.00 2.02 -1.36 -0.70 112.91 113.83 1pp9 h THR 42 Ca 0.09 -0.28 0.02 0.00 0.77 0.00 0.00 66.41 67.00 1pp9 h THR 42 Cb 0.49 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1pp9 h THR 42 CO 0.02 0.15 0.34 0.74 0.37 0.00 0.00 175.52 177.14 1pp9 h THR 43 N 0.82 1.08 -0.30 3.16 2.02 -1.32 -0.45 112.91 117.92 1pp9 h THR 43 Ca 0.23 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 1pp9 h THR 43 Cb -0.08 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 1pp9 h THR 43 CO -0.06 0.12 -0.09 0.74 0.37 0.00 0.00 175.52 176.61 1pp9 h THR 44 N 0.67 1.22 -0.22 3.16 2.02 -0.91 -0.73 112.91 118.13 1pp9 h THR 44 Ca 0.22 -0.94 -0.04 0.00 0.77 0.00 0.00 66.41 66.42 1pp9 h THR 44 Cb -0.00 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1pp9 h THR 44 CO -0.08 0.31 -0.03 0.58 0.37 0.00 0.00 175.52 176.67 1pp9 h VAL 45 N 0.46 1.27 -0.62 3.16 2.07 -0.34 -0.49 116.25 121.76 1pp9 h VAL 45 Ca 0.09 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1pp9 h VAL 45 Cb 0.44 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1pp9 h VAL 45 CO 0.02 0.30 0.35 1.23 0.02 0.00 0.00 177.57 179.49 1pp9 h GLY 46 N 0.14 0.92 1.45 2.17 0.00 -0.78 -1.47 103.07 105.50 1pp9 h GLY 46 Ca 0.06 -0.39 -0.17 0.00 0.00 0.00 0.00 47.33 46.82 1pp9 h GLY 46 CO 0.02 0.38 -0.61 -2.08 0.00 0.00 0.00 176.54 174.25 1pp9 h VAL 47 N 0.87 1.33 -0.64 4.60 2.07 -0.96 -2.43 116.25 121.08 1pp9 h VAL 47 Ca 0.22 -1.88 -0.07 0.00 0.82 0.00 0.00 66.70 65.79 1pp9 h VAL 47 Cb 0.01 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1pp9 h VAL 47 CO -0.04 0.58 0.13 0.00 0.02 0.00 0.00 177.57 178.27 1pp9 h ALA 48 N 0.91 0.84 -0.66 1.67 0.00 -0.61 0.14 119.26 121.55 1pp9 h ALA 48 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1pp9 h ALA 48 Cb 1.17 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1pp9 h ALA 48 CO 0.11 0.58 0.42 -0.92 0.00 0.00 0.00 179.25 179.44 1pp9 h TYR 49 N 0.96 0.84 -0.03 0.00 3.20 -1.19 0.11 116.97 120.86 1pp9 h TYR 49 Ca 0.20 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1pp9 h TYR 49 Cb 0.39 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 1pp9 h TYR 49 CO 0.03 0.55 -0.03 0.00 -1.64 0.00 0.00 178.16 177.07 1pp9 h ALA 50 N 1.22 0.05 -0.85 1.82 0.00 -1.08 -2.76 119.26 117.67 1pp9 h ALA 50 Ca 0.24 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1pp9 h ALA 50 Cb -0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1pp9 h ALA 50 CO -0.05 -0.19 0.56 0.00 0.00 0.00 0.00 179.25 179.57 1pp9 h ALA 51 N 0.55 1.10 -0.10 0.00 0.00 -0.64 -1.55 119.26 118.62 1pp9 h ALA 51 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1pp9 h ALA 51 Cb 0.51 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1pp9 h ALA 51 CO 0.01 0.44 0.07 -0.22 0.00 0.00 0.00 179.25 179.55 1pp9 h LYS 52 N 1.12 0.14 0.20 0.00 3.64 -0.99 -0.44 116.57 120.24 1pp9 h LYS 52 Ca 0.33 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1pp9 h LYS 52 Cb -0.07 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1pp9 h LYS 52 CO -0.09 0.10 -0.10 -0.91 -2.27 0.00 0.00 179.45 176.19 1pp9 h ASN 53 N 0.13 -0.23 0.23 4.20 2.35 -1.20 -1.37 115.58 119.69 1pp9 h ASN 53 Ca 0.04 -0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1pp9 h ASN 53 Cb -0.00 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 1pp9 h ASN 53 CO -0.01 -0.15 -0.31 0.58 -1.65 0.00 0.00 177.43 175.89 1pp9 h VAL 54 N -0.28 0.34 -0.40 2.81 2.07 -1.23 -0.95 116.25 118.62 1pp9 h VAL 54 Ca -0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1pp9 h VAL 54 Cb 0.22 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 1pp9 h VAL 54 CO 0.04 0.00 0.19 0.58 0.02 0.00 0.00 177.57 178.40 1pp9 h VAL 55 N -0.60 0.96 0.00 2.57 2.07 -1.09 -1.90 116.25 118.26 1pp9 h VAL 55 Ca 0.01 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 1pp9 h VAL 55 Cb 0.58 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1pp9 h VAL 55 CO -0.12 0.07 -0.19 0.77 0.02 0.00 0.00 177.57 178.12 1pp9 h SER 56 N 0.38 0.00 -0.28 0.57 4.64 -1.07 -1.08 113.55 116.71 1pp9 h SER 56 Ca 0.17 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.31 1pp9 h SER 56 Cb 0.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1pp9 h SER 56 CO -0.13 0.19 -0.52 1.56 -0.87 0.00 0.00 176.83 177.07 1pp9 h GLN 57 N 0.00 0.87 -0.20 4.77 4.20 -0.41 -0.84 115.11 123.50 1pp9 h GLN 57 Ca -0.00 -0.53 -0.05 0.00 0.06 0.00 0.00 58.65 58.12 1pp9 h GLN 57 Cb 0.46 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1pp9 h GLN 57 CO 0.02 1.17 -0.09 0.74 -0.67 0.00 0.00 178.83 180.00 1pp9 h PHE 58 N 0.68 0.47 -0.85 2.96 -1.00 -0.94 -2.07 116.94 116.18 1pp9 h PHE 58 Ca 0.02 -0.11 0.04 0.00 2.81 0.00 0.00 57.97 60.73 1pp9 h PHE 58 Cb 1.12 -0.11 -0.05 0.00 3.61 0.00 0.00 35.95 40.52 1pp9 h PHE 58 CO 0.07 0.70 0.55 0.28 -1.61 0.00 0.00 178.31 178.29 1pp9 h VAL 59 N 0.10 1.12 -0.59 -0.55 2.07 -1.22 -2.07 116.25 115.11 1pp9 h VAL 59 Ca 0.04 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1pp9 h VAL 59 Cb 0.57 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1pp9 h VAL 59 CO 0.03 0.19 0.31 -1.28 0.02 0.00 0.00 177.57 176.84 1pp9 h SER 60 N 1.05 0.73 -0.08 0.57 0.87 -0.96 -2.47 113.55 113.26 1pp9 h SER 60 Ca 0.35 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.87 1pp9 h SER 60 Cb 0.04 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1pp9 h SER 60 CO -0.13 0.60 0.09 0.77 -0.53 0.00 0.00 176.83 177.63 1pp9 h SER 61 N 0.82 0.00 1.61 6.23 4.64 -0.65 -1.14 113.55 125.06 1pp9 h SER 61 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1pp9 h SER 61 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1pp9 h SER 61 CO -0.03 0.00 -0.27 0.24 -0.87 0.00 0.00 176.83 175.90 1pp9 h MET 62 N 0.00 0.00 -7.36 4.77 2.86 -1.49 -3.46 114.93 110.24 1pp9 h MET 62 Ca 0.04 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.19 1pp9 h MET 62 Cb 0.23 0.00 0.13 0.00 0.06 0.00 0.00 31.60 32.02 1pp9 h MET 62 CO -0.00 0.00 0.30 -1.12 1.06 0.00 0.00 176.91 177.15 1pp9 s SER 63 N -5.61 4.05 -0.10 1.22 0.01 -0.43 -4.89 113.70 107.95 1pp9 s SER 63 Ca 0.06 1.45 -0.40 0.00 1.31 0.00 0.00 55.95 58.37 1pp9 s SER 63 Cb 0.08 -2.16 -0.18 0.00 0.21 0.00 0.00 66.02 63.96 1pp9 s SER 63 CO 0.69 -2.27 1.35 0.00 0.41 0.00 0.00 173.24 173.42 1pp9 n ALA 64 N -3.64 -1.91 -1.56 1.44 0.00 -1.26 -4.93 120.51 108.66 1pp9 n ALA 64 Ca 0.07 0.52 -0.30 0.00 0.00 0.00 0.00 53.44 53.73 1pp9 n ALA 64 Cb 0.55 -1.96 0.07 0.00 0.00 0.00 0.00 19.45 18.12 1pp9 n ALA 64 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1pp9 s SER 65 N 1.21 4.94 0.42 0.00 1.04 -1.26 -4.87 113.70 115.18 1pp9 s SER 65 Ca 0.93 1.47 0.19 0.00 0.48 0.00 0.00 55.95 59.02 1pp9 s SER 65 Cb -1.18 -2.28 1.12 0.00 0.10 0.00 0.00 66.02 63.77 1pp9 s SER 65 CO 0.60 -1.70 1.82 0.00 0.98 0.00 0.00 173.24 174.93 1pp9 h ALA 66 N -0.90 2.26 0.00 5.32 0.00 -2.01 -1.53 119.26 122.41 1pp9 h ALA 66 Ca -0.45 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 1pp9 h ALA 66 Cb 1.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1pp9 h ALA 66 CO 0.58 -0.60 -0.49 0.38 0.00 0.00 0.00 179.25 179.11 1pp9 h ASP 67 N 0.38 0.00 0.77 0.00 2.03 -1.99 -3.00 116.42 114.62 1pp9 h ASP 67 Ca 0.53 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.70 1pp9 h ASP 67 Cb 1.37 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.85 1pp9 h ASP 67 CO -0.22 0.49 -0.61 0.58 -1.03 0.00 0.00 179.24 178.46 1pp9 h VAL 68 N 0.00 1.32 0.00 4.15 2.07 -1.64 -3.21 116.25 118.94 1pp9 h VAL 68 Ca -0.00 -2.17 -0.06 0.00 0.82 0.00 0.00 66.70 65.28 1pp9 h VAL 68 Cb 0.94 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 1pp9 h VAL 68 CO 0.06 0.60 -0.28 -0.07 0.02 0.00 0.00 177.57 177.90 1pp9 h LEU 69 N 0.00 0.00 -6.61 2.57 3.38 -1.42 -3.41 115.31 109.83 1pp9 h LEU 69 Ca -0.01 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 1pp9 h LEU 69 Cb 1.16 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.99 1pp9 h LEU 69 CO 0.08 0.28 2.00 0.00 0.09 0.00 0.00 178.44 180.89 1pp9 n ALA 70 N -2.18 2.54 -2.36 1.53 0.00 -1.21 -4.90 120.51 113.93 1pp9 n ALA 70 Ca 0.02 -3.04 -0.22 0.00 0.00 0.00 0.00 53.44 50.20 1pp9 n ALA 70 Cb 0.61 -3.64 0.15 0.00 0.00 0.00 0.00 19.45 16.56 1pp9 n ALA 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1pp9 n MET 71 N 7.22 -0.51 -3.01 0.00 2.81 -1.26 -5.10 117.12 117.27 1pp9 n MET 71 Ca 0.48 -2.44 -0.06 0.00 -1.81 0.00 0.00 57.70 53.88 1pp9 n MET 71 Cb 0.40 -0.89 0.02 0.00 -0.71 0.00 0.00 33.22 32.03 1pp9 n MET 71 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1pp9 n SER 72 N -3.24 -1.58 -4.97 7.83 3.41 -1.26 -5.18 113.62 108.63 1pp9 n SER 72 Ca 0.16 -2.06 -0.21 0.00 -0.26 0.00 0.00 58.87 56.51 1pp9 n SER 72 Cb 0.57 2.62 0.02 0.00 -0.26 0.00 0.00 64.21 67.17 1pp9 n SER 72 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1pp9 s LYS 73 N -2.06 2.74 -0.02 4.33 1.02 -1.26 -4.94 119.74 119.56 1pp9 s LYS 73 Ca 0.12 -0.79 0.03 0.00 0.02 0.00 0.00 55.97 55.35 1pp9 s LYS 73 Cb -0.03 -2.56 -0.00 0.00 -0.52 0.00 0.00 37.83 34.71 1pp9 s LYS 73 CO 0.08 -0.50 -0.11 -1.50 -0.92 0.00 0.00 175.35 172.40 1pp9 s ILE 74 N -2.62 0.90 -0.12 2.17 2.07 -0.78 -4.98 121.20 117.84 1pp9 s ILE 74 Ca 0.54 -0.46 -0.04 0.00 -1.41 0.00 0.00 60.65 59.28 1pp9 s ILE 74 Cb -0.10 -0.77 -0.04 0.00 0.13 0.00 0.00 42.46 41.69 1pp9 s ILE 74 CO 0.37 0.26 0.05 -1.61 -1.91 0.00 0.00 174.94 172.10 1pp9 s GLU 75 N -0.09 3.32 -0.08 3.50 2.02 -1.26 -0.80 118.70 125.31 1pp9 s GLU 75 Ca 0.01 -0.33 0.01 0.00 0.02 0.00 0.00 54.97 54.69 1pp9 s GLU 75 Cb -0.06 -2.98 0.02 0.00 0.10 0.00 0.00 34.13 31.20 1pp9 s GLU 75 CO 0.00 0.62 -0.10 0.42 0.02 0.00 0.00 175.26 176.22 1pp9 s ILE 76 N -0.63 1.07 -0.52 -1.63 1.01 -0.03 -4.98 121.20 115.48 1pp9 s ILE 76 Ca 0.11 -0.39 -0.28 0.00 0.00 0.00 0.00 60.65 60.09 1pp9 s ILE 76 Cb -0.12 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.34 1pp9 s ILE 76 CO 0.02 0.35 1.43 -0.75 0.00 0.00 0.00 174.94 176.00 1pp9 s LYS 77 N 1.06 3.35 0.51 2.79 2.20 -1.26 -2.18 119.74 126.22 1pp9 s LYS 77 Ca -0.07 0.59 0.27 0.00 -0.36 0.00 0.00 55.97 56.40 1pp9 s LYS 77 Cb -0.15 -4.11 1.39 0.00 -1.51 0.00 0.00 37.83 33.46 1pp9 s LYS 77 CO -0.01 -1.87 2.04 -0.07 -0.36 0.00 0.00 175.35 175.08 1pp9 h LEU 78 N 12.97 0.00 0.00 5.43 3.38 -1.77 -2.87 115.31 132.46 1pp9 h LEU 78 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1pp9 h LEU 78 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1pp9 h LEU 78 CO 1.15 0.13 0.00 -1.54 0.09 0.00 0.00 178.44 178.27 1pp9 n SER 79 N -3.59 0.00 0.10 -0.43 3.41 -1.26 -2.52 113.62 109.33 1pp9 n SER 79 Ca -0.02 -0.14 0.12 0.00 -0.26 0.00 0.00 58.87 58.58 1pp9 n SER 79 Cb 0.26 -0.23 0.11 0.00 -0.26 0.00 0.00 64.21 64.10 1pp9 n SER 79 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1pp9 h ASP 80 N 0.00 0.00 -3.29 4.04 3.32 -1.89 -3.44 116.42 115.16 1pp9 h ASP 80 Ca 0.00 -0.10 -0.74 0.00 0.02 0.00 0.00 57.03 56.21 1pp9 h ASP 80 Cb 0.15 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 39.45 1pp9 h ASP 80 CO 0.00 0.05 -0.34 -0.63 -1.72 0.00 0.00 179.24 176.60 1pp9 s ILE 81 N -3.24 4.88 0.61 0.35 1.01 -1.05 -5.09 121.20 118.67 1pp9 s ILE 81 Ca 0.04 -1.32 -0.10 0.00 0.00 0.00 0.00 60.65 59.27 1pp9 s ILE 81 Cb 0.11 -4.01 0.15 0.00 0.01 0.00 0.00 42.46 38.72 1pp9 s ILE 81 CO 0.74 -0.65 0.34 -2.65 0.00 0.00 0.00 174.94 172.72 1pp9 n PRO 82 N 5.12 -2.70 -2.76 2.79 -0.02 -1.26 -4.82 135.00 131.34 1pp9 n PRO 82 Ca -0.12 -0.58 -0.36 0.00 -2.02 0.00 0.00 63.50 60.43 1pp9 n PRO 82 Cb 0.42 -0.80 -0.06 0.00 -0.02 0.00 0.00 33.50 33.04 1pp9 n PRO 82 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1pp9 s GLU 83 N -3.58 4.42 -0.55 -0.52 2.02 -1.26 -3.62 118.70 115.61 1pp9 s GLU 83 Ca 0.26 1.30 0.00 0.00 0.02 0.00 0.00 54.97 56.55 1pp9 s GLU 83 Cb -0.05 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.60 1pp9 s GLU 83 CO 0.22 0.13 0.00 0.41 0.02 0.00 0.00 175.26 176.04 1pp9 n GLY 84 N 0.19 0.56 3.70 -1.39 0.00 0.40 -4.97 105.19 103.67 1pp9 n GLY 84 Ca 0.04 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1pp9 n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pp9 s LYS 85 N -2.25 3.52 -0.20 1.61 2.36 -1.13 -4.91 119.74 118.74 1pp9 s LYS 85 Ca 0.00 -0.33 -0.08 0.00 -2.55 0.00 0.00 55.97 53.02 1pp9 s LYS 85 Cb 0.00 -3.06 -0.04 0.00 -1.05 0.00 0.00 37.83 33.69 1pp9 s LYS 85 CO 0.00 0.53 0.07 1.21 1.55 0.00 0.00 175.35 178.71 1pp9 s ASN 86 N -0.36 5.56 -0.08 1.43 2.47 -1.26 -1.46 114.94 121.25 1pp9 s ASN 86 Ca 0.09 0.02 0.04 0.00 0.42 0.00 0.00 52.86 53.43 1pp9 s ASN 86 Cb -0.12 -1.97 -0.01 0.00 -1.45 0.00 0.00 41.25 37.70 1pp9 s ASN 86 CO 0.02 0.12 -0.22 -0.32 -3.72 0.00 0.00 177.10 172.97 1pp9 s MET 87 N 0.69 2.81 -0.01 0.43 -2.45 -0.79 -4.98 119.30 114.99 1pp9 s MET 87 Ca 0.04 -0.85 0.01 0.00 -1.25 0.00 0.00 55.69 53.63 1pp9 s MET 87 Cb -0.13 -2.28 -0.04 0.00 1.25 0.00 0.00 34.83 33.63 1pp9 s MET 87 CO 0.02 0.32 0.01 0.00 1.05 0.00 0.00 175.02 176.41 1pp9 s ALA 88 N 0.01 3.31 0.01 4.11 0.00 -1.26 -1.01 121.76 126.94 1pp9 s ALA 88 Ca -0.08 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 50.98 1pp9 s ALA 88 Cb -0.15 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.57 1pp9 s ALA 88 CO 0.05 0.64 -0.08 -0.06 0.00 0.00 0.00 175.76 176.31 1pp9 s PHE 89 N -1.07 0.74 -0.12 0.00 0.08 0.94 -4.89 117.98 113.65 1pp9 s PHE 89 Ca 0.19 -0.23 -0.29 0.00 0.12 0.00 0.00 56.93 56.71 1pp9 s PHE 89 Cb -0.12 -0.46 -0.01 0.00 -0.57 0.00 0.00 43.02 41.87 1pp9 s PHE 89 CO 0.09 -0.02 1.04 0.21 -0.10 0.00 0.00 175.22 176.45 1pp9 s LYS 90 N -0.60 4.38 -0.20 0.44 2.47 -1.26 0.73 119.74 125.70 1pp9 s LYS 90 Ca 0.00 1.43 -0.08 0.00 -1.56 0.00 0.00 55.97 55.76 1pp9 s LYS 90 Cb -0.05 -3.57 0.08 0.00 -1.46 0.00 0.00 37.83 32.84 1pp9 s LYS 90 CO 0.00 -0.40 0.43 -0.46 0.16 0.00 0.00 175.35 175.08 1pp9 s TRP 91 N 2.31 -0.77 -1.70 4.03 -0.00 0.10 -4.86 118.94 118.05 1pp9 s TRP 91 Ca 0.49 1.50 0.00 0.00 -0.00 0.00 0.00 56.10 58.09 1pp9 s TRP 91 Cb -0.19 0.31 0.00 0.00 -0.00 0.00 0.00 33.47 33.60 1pp9 s TRP 91 CO 0.16 -0.46 0.00 0.54 -0.00 0.00 0.00 176.95 177.19 1pp9 n ARG 92 N 5.12 -1.75 0.00 5.86 1.74 -1.26 -1.54 116.66 124.83 1pp9 n ARG 92 Ca -0.12 0.96 0.00 0.00 -0.77 0.00 0.00 57.85 57.92 1pp9 n ARG 92 Cb 0.51 -5.58 0.00 0.00 -1.02 0.00 0.00 32.46 26.37 1pp9 n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pp9 n GLY 93 N -0.90 2.17 3.72 -0.13 0.00 -1.26 -5.03 105.19 103.76 1pp9 n GLY 93 Ca -0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1pp9 n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pp9 s LYS 94 N -0.33 2.19 0.22 1.61 1.02 -0.59 -5.08 119.74 118.79 1pp9 s LYS 94 Ca 0.00 -1.85 -0.30 0.00 0.02 0.00 0.00 55.97 53.84 1pp9 s LYS 94 Cb 0.00 -1.95 -0.09 0.00 -0.52 0.00 0.00 37.83 35.27 1pp9 s LYS 94 CO 0.00 -0.08 0.98 -2.14 -0.92 0.00 0.00 175.35 173.19 1pp9 s PRO 95 N -3.87 4.78 -0.19 -1.68 0.02 -1.26 -0.72 135.00 132.09 1pp9 s PRO 95 Ca 0.40 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.97 1pp9 s PRO 95 Cb 0.04 -3.28 0.02 0.00 0.02 0.00 0.00 34.50 31.30 1pp9 s PRO 95 CO 0.22 0.40 -0.17 -1.17 -0.33 0.00 0.00 177.00 175.94 1pp9 s LEU 96 N -1.00 2.27 -0.13 -5.54 2.96 0.22 0.12 118.68 117.59 1pp9 s LEU 96 Ca 0.43 -0.63 -0.14 0.00 -0.22 0.00 0.00 54.13 53.57 1pp9 s LEU 96 Cb -0.27 -1.52 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 1pp9 s LEU 96 CO 0.33 -0.01 0.32 -0.36 -1.32 0.00 0.00 176.35 175.32 1pp9 s PHE 97 N 1.31 3.52 -0.26 5.38 0.08 0.13 -0.04 117.98 128.10 1pp9 s PHE 97 Ca 0.05 0.69 0.00 0.00 0.12 0.00 0.00 56.93 57.79 1pp9 s PHE 97 Cb -0.13 -2.33 0.07 0.00 -0.57 0.00 0.00 43.02 40.05 1pp9 s PHE 97 CO -0.11 0.32 -0.00 0.08 -0.10 0.00 0.00 175.22 175.41 1pp9 s VAL 98 N 0.15 1.40 -0.15 -0.44 1.01 -0.18 -1.31 120.40 120.89 1pp9 s VAL 98 Ca 0.19 -1.32 -0.01 0.00 0.00 0.00 0.00 61.98 60.84 1pp9 s VAL 98 Cb -0.14 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 1pp9 s VAL 98 CO 0.06 -0.28 -0.12 -0.60 0.00 0.00 0.00 175.10 174.17 1pp9 s ARG 99 N 1.42 3.37 -0.54 2.72 3.52 -0.10 -1.88 118.95 127.47 1pp9 s ARG 99 Ca -0.00 -0.68 -0.22 0.00 -0.13 0.00 0.00 55.73 54.70 1pp9 s ARG 99 Cb -0.18 -2.70 0.05 0.00 -1.56 0.00 0.00 34.95 30.56 1pp9 s ARG 99 CO -0.10 0.12 0.79 -1.58 -0.81 0.00 0.00 175.30 173.71 1pp9 s HIS 100 N 0.60 2.91 0.27 5.12 5.65 -0.53 -1.53 115.29 127.78 1pp9 s HIS 100 Ca -0.07 -0.32 -0.19 0.00 0.25 0.00 0.00 55.06 54.73 1pp9 s HIS 100 Cb -0.15 -3.83 -0.09 0.00 -1.18 0.00 0.00 32.58 27.33 1pp9 s HIS 100 CO 0.03 -1.21 0.76 1.03 -0.65 0.00 0.00 174.74 174.69 1pp9 s ARG 101 N 3.29 4.20 0.73 2.88 0.52 0.80 0.15 118.95 131.53 1pp9 s ARG 101 Ca 0.22 0.86 -0.06 0.00 -0.52 0.00 0.00 55.73 56.23 1pp9 s ARG 101 Cb -0.16 -2.70 0.10 0.00 0.52 0.00 0.00 34.95 32.70 1pp9 s ARG 101 CO 0.15 0.29 1.03 0.95 0.02 0.00 0.00 175.30 177.74 1pp9 s THR 102 N -1.70 2.24 0.04 0.02 -4.23 -1.26 -4.62 115.64 106.14 1pp9 s THR 102 Ca 0.48 -0.35 -0.24 0.00 -1.18 0.00 0.00 61.69 60.40 1pp9 s THR 102 Cb -0.14 -2.89 -0.16 0.00 1.34 0.00 0.00 72.50 70.64 1pp9 s THR 102 CO 0.20 0.00 1.52 0.50 -0.54 0.00 0.00 174.62 176.30 1pp9 h LYS 103 N -0.67 0.04 -0.80 3.99 3.64 -1.98 0.01 116.57 120.81 1pp9 h LYS 103 Ca -0.42 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.01 1pp9 h LYS 103 Cb 1.29 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.05 1pp9 h LYS 103 CO 0.51 0.27 0.49 1.57 -2.27 0.00 0.00 179.45 180.01 1pp9 h LYS 104 N -0.18 0.87 -0.29 1.90 2.10 -1.99 0.95 116.57 119.93 1pp9 h LYS 104 Ca 0.01 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 1pp9 h LYS 104 Cb 0.24 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 31.36 1pp9 h LYS 104 CO 0.00 0.57 0.15 0.93 -2.00 0.00 0.00 179.45 179.11 1pp9 h GLU 105 N 0.89 0.41 -0.87 0.07 5.08 -1.90 -0.20 114.58 118.06 1pp9 h GLU 105 Ca 0.35 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1pp9 h GLU 105 Cb 0.16 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 1pp9 h GLU 105 CO -0.17 0.36 0.55 0.82 -1.00 0.00 0.00 179.01 179.58 1pp9 h ILE 106 N 0.35 1.23 -0.34 3.13 2.04 -0.14 -2.04 117.51 121.74 1pp9 h ILE 106 Ca 0.10 -0.46 -0.12 0.00 1.00 0.00 0.00 64.86 65.39 1pp9 h ILE 106 Cb 0.08 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 1pp9 h ILE 106 CO -0.02 0.23 -0.26 0.44 0.00 0.00 0.00 178.15 178.55 1pp9 h ASP 107 N 1.19 0.71 -0.57 1.72 3.32 -0.53 -2.48 116.42 119.78 1pp9 h ASP 107 Ca 0.32 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1pp9 h ASP 107 Cb -0.10 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 1pp9 h ASP 107 CO -0.06 0.94 0.08 1.56 -1.72 0.00 0.00 179.24 180.04 1pp9 h GLN 108 N 0.60 0.98 0.00 3.56 4.20 -0.57 -2.09 115.11 121.80 1pp9 h GLN 108 Ca 0.08 -0.26 -0.11 0.00 0.06 0.00 0.00 58.65 58.42 1pp9 h GLN 108 Cb 0.75 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1pp9 h GLN 108 CO 0.06 0.92 -0.53 0.93 -0.67 0.00 0.00 178.83 179.54 1pp9 h GLU 109 N 0.92 0.00 -0.14 1.46 4.39 -1.25 -2.82 114.58 117.14 1pp9 h GLU 109 Ca 0.18 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.74 1pp9 h GLU 109 Cb 0.43 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1pp9 h GLU 109 CO 0.01 0.53 -0.51 0.00 -1.16 0.00 0.00 179.01 177.88 1pp9 h ALA 110 N 1.47 0.85 0.42 3.43 0.00 -1.11 -3.29 119.26 121.04 1pp9 h ALA 110 Ca -0.01 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1pp9 h ALA 110 Cb 0.96 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1pp9 h ALA 110 CO 0.07 0.67 -0.20 0.00 0.00 0.00 0.00 179.25 179.79 1pp9 h ALA 111 N 1.14 -0.56 -0.20 0.00 0.00 -1.14 -3.47 119.26 115.03 1pp9 h ALA 111 Ca 0.01 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 1pp9 h ALA 111 Cb 1.01 0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.02 1pp9 h ALA 111 CO 0.09 -0.80 0.03 0.28 0.00 0.00 0.00 179.25 178.84 1pp9 n VAL 112 N -5.32 0.00 -2.47 0.00 0.31 -1.13 -4.78 118.33 104.95 1pp9 n VAL 112 Ca -0.11 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.81 1pp9 n VAL 112 Cb 0.25 -0.01 -0.03 0.00 -0.91 0.00 0.00 33.84 33.14 1pp9 n VAL 112 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1pp9 s GLU 113 N 0.07 3.11 0.50 5.55 2.56 -1.26 -4.85 118.70 124.37 1pp9 s GLU 113 Ca 0.19 -0.13 0.22 0.00 0.00 0.00 0.00 54.97 55.25 1pp9 s GLU 113 Cb -0.26 -4.24 1.28 0.00 2.00 0.00 0.00 34.13 32.91 1pp9 s GLU 113 CO 0.12 -2.24 1.97 0.28 -0.56 0.00 0.00 175.26 174.83 1pp9 h VAL 114 N 6.18 0.76 -0.28 3.70 2.07 -1.89 -2.46 116.25 124.33 1pp9 h VAL 114 Ca -0.27 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1pp9 h VAL 114 Cb 1.07 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1pp9 h VAL 114 CO 1.27 0.03 0.00 0.77 0.02 0.00 0.00 177.57 179.66 1pp9 h SER 115 N 0.14 0.39 0.09 0.57 4.64 -1.96 -2.89 113.55 114.52 1pp9 h SER 115 Ca 0.29 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 61.40 1pp9 h SER 115 Cb 0.95 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 1pp9 h SER 115 CO -0.04 0.45 -0.49 1.56 -0.87 0.00 0.00 176.83 177.44 1pp9 h GLN 116 N 0.41 0.46 -6.38 4.77 4.20 -1.85 -3.46 115.11 113.26 1pp9 h GLN 116 Ca 0.09 -0.27 -0.61 0.00 0.06 0.00 0.00 58.65 57.93 1pp9 h GLN 116 Cb 0.27 0.02 0.13 0.00 0.30 0.00 0.00 27.48 28.20 1pp9 h GLN 116 CO 0.01 0.85 -0.18 1.28 -0.67 0.00 0.00 178.83 180.12 1pp9 n LEU 117 N -3.98 0.75 0.12 1.46 4.77 -1.09 -4.88 117.00 114.16 1pp9 n LEU 117 Ca -0.02 1.03 -0.01 0.00 -0.03 0.00 0.00 56.01 56.97 1pp9 n LEU 117 Cb 0.56 -1.18 0.10 0.00 -2.33 0.00 0.00 43.42 40.56 1pp9 n LEU 117 CO 0.45 -2.27 0.42 0.08 -1.33 0.00 0.00 177.39 174.74 1pp9 h ARG 118 N 1.26 0.00 -2.38 3.23 0.11 -1.89 -3.29 114.38 111.42 1pp9 h ARG 118 Ca -0.39 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.09 1pp9 h ARG 118 Cb 1.38 0.00 -0.41 0.00 1.11 0.00 0.00 29.97 32.05 1pp9 h ARG 118 CO 0.55 0.67 -0.72 -3.47 0.10 0.00 0.00 179.97 177.10 1pp9 n ASP 119 N -3.53 2.49 -4.60 0.08 2.03 -1.26 -5.05 116.55 106.71 1pp9 n ASP 119 Ca -0.00 -3.14 -0.50 0.00 0.52 0.00 0.00 54.79 51.67 1pp9 n ASP 119 Cb 0.71 -0.67 -0.06 0.00 -0.72 0.00 0.00 41.12 40.38 1pp9 n ASP 119 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1pp9 n PRO 120 N 1.40 1.65 -3.65 -0.67 -0.04 -1.24 -4.81 135.00 127.64 1pp9 n PRO 120 Ca 0.26 0.55 -0.14 0.00 -0.04 0.00 0.00 63.50 64.12 1pp9 n PRO 120 Cb 0.43 -2.59 -0.08 0.00 -0.04 0.00 0.00 33.50 31.22 1pp9 n PRO 120 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1pp9 s GLN 121 N 5.04 0.75 0.30 0.54 -0.21 -1.26 -5.09 119.66 119.73 1pp9 s GLN 121 Ca 1.00 0.58 -0.17 0.00 0.02 0.00 0.00 55.36 56.79 1pp9 s GLN 121 Cb -0.75 0.36 -0.09 0.00 1.00 0.00 0.00 33.01 33.53 1pp9 s GLN 121 CO 0.51 -0.14 0.76 -1.58 -2.12 0.00 0.00 175.29 172.71 1pp9 s HIS 122 N -0.18 3.46 0.30 0.91 5.65 -1.26 -4.87 115.29 119.31 1pp9 s HIS 122 Ca -0.04 1.32 0.03 0.00 0.25 0.00 0.00 55.06 56.62 1pp9 s HIS 122 Cb -0.03 -2.60 0.63 0.00 -1.18 0.00 0.00 32.58 29.40 1pp9 s HIS 122 CO 0.03 0.16 1.84 0.22 -0.65 0.00 0.00 174.74 176.33 1pp9 h ASP 123 N 2.62 0.86 0.23 9.88 3.58 -1.94 -0.34 116.42 131.31 1pp9 h ASP 123 Ca -0.48 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.02 1pp9 h ASP 123 Cb 1.18 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.11 1pp9 h ASP 123 CO 0.65 0.44 0.00 0.18 -2.88 0.00 0.00 179.24 177.63 1pp9 n LEU 124 N -4.62 0.00 -0.01 2.28 4.77 -1.26 -0.81 117.00 117.36 1pp9 n LEU 124 Ca 0.19 0.23 0.11 0.00 -0.03 0.00 0.00 56.01 56.51 1pp9 n LEU 124 Cb 0.40 -0.23 0.12 0.00 -2.33 0.00 0.00 43.42 41.38 1pp9 n LEU 124 CO 0.27 -0.11 0.28 -0.62 -1.33 0.00 0.00 177.39 175.88 1pp9 n GLU 125 N -1.23 0.02 0.00 3.23 1.02 -0.14 -4.17 120.64 119.37 1pp9 n GLU 125 Ca 0.08 -0.01 0.05 0.00 -0.02 0.00 0.00 57.16 57.27 1pp9 n GLU 125 Cb 0.11 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.99 1pp9 n GLU 125 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1pp9 n ARG 126 N -1.48 2.78 -4.22 3.49 1.74 0.01 -5.01 116.66 113.97 1pp9 n ARG 126 Ca 0.05 -0.28 -0.14 0.00 -0.77 0.00 0.00 57.85 56.71 1pp9 n ARG 126 Cb 0.33 -1.07 -0.10 0.00 -1.02 0.00 0.00 32.46 30.61 1pp9 n ARG 126 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1pp9 s VAL 127 N -1.81 1.04 -0.23 1.55 -7.23 -1.07 -4.74 120.40 107.91 1pp9 s VAL 127 Ca 0.06 -1.94 -0.08 0.00 -1.81 0.00 0.00 61.98 58.21 1pp9 s VAL 127 Cb 0.09 -1.70 -0.11 0.00 0.56 0.00 0.00 36.38 35.21 1pp9 s VAL 127 CO 0.38 -0.72 -0.28 0.29 -0.31 0.00 0.00 175.10 174.47 1pp9 n LYS 128 N 0.02 0.51 -3.96 4.82 5.02 -1.26 -4.83 118.16 118.49 1pp9 n LYS 128 Ca -0.12 0.20 -0.34 0.00 -2.02 0.00 0.00 58.31 56.02 1pp9 n LYS 128 Cb 0.60 -1.36 -0.14 0.00 -0.02 0.00 0.00 35.03 34.11 1pp9 n LYS 128 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1pp9 s LYS 129 N -2.43 2.52 0.46 1.97 1.02 -1.26 -5.01 119.74 117.01 1pp9 s LYS 129 Ca -0.32 -1.19 0.34 0.00 0.02 0.00 0.00 55.97 54.82 1pp9 s LYS 129 Cb 0.11 -3.06 1.48 0.00 -0.52 0.00 0.00 37.83 35.84 1pp9 s LYS 129 CO 0.44 -0.54 1.63 -1.35 -0.92 0.00 0.00 175.35 174.61 1pp9 h PRO 130 N 7.96 0.07 0.00 -1.68 0.11 -1.99 0.34 132.00 136.81 1pp9 h PRO 130 Ca -0.24 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1pp9 h PRO 130 Cb 1.07 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1pp9 h PRO 130 CO 0.53 0.05 0.00 -0.85 -0.21 0.00 0.00 178.00 177.52 1pp9 n GLU 131 N -4.53 0.39 -4.19 1.05 0.00 -1.26 -4.66 120.64 107.44 1pp9 n GLU 131 Ca 0.37 0.07 -0.26 0.00 0.00 0.00 0.00 57.16 57.34 1pp9 n GLU 131 Cb 1.51 -1.50 -0.17 0.00 0.00 0.00 0.00 31.44 31.28 1pp9 n GLU 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1pp9 s TRP 132 N -2.43 1.51 -0.13 -1.84 0.52 0.12 -0.14 118.94 116.54 1pp9 s TRP 132 Ca 0.23 -0.68 0.02 0.00 0.02 0.00 0.00 56.10 55.69 1pp9 s TRP 132 Cb 0.14 -1.18 0.00 0.00 -1.15 0.00 0.00 33.47 31.28 1pp9 s TRP 132 CO 0.30 -0.43 -0.20 0.54 0.02 0.00 0.00 176.95 177.19 1pp9 s VAL 133 N 1.27 2.32 -0.14 4.03 0.11 -0.58 -4.48 120.40 122.93 1pp9 s VAL 133 Ca -0.03 -0.90 0.02 0.00 -2.93 0.00 0.00 61.98 58.14 1pp9 s VAL 133 Cb -0.14 -1.94 0.01 0.00 -1.53 0.00 0.00 36.38 32.79 1pp9 s VAL 133 CO -0.04 0.54 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.43 1pp9 s ILE 134 N 0.63 2.03 0.04 7.04 1.01 -1.26 -0.92 121.20 129.77 1pp9 s ILE 134 Ca -0.10 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.56 1pp9 s ILE 134 Cb -0.16 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 1pp9 s ILE 134 CO 0.02 0.54 0.04 -0.76 0.00 0.00 0.00 174.94 174.79 1pp9 s LEU 135 N 0.88 2.07 -0.29 2.97 1.43 -0.43 -4.29 118.68 121.02 1pp9 s LEU 135 Ca -0.06 -0.70 -0.26 0.00 -1.03 0.00 0.00 54.13 52.08 1pp9 s LEU 135 Cb -0.15 0.43 0.01 0.00 0.03 0.00 0.00 46.19 46.51 1pp9 s LEU 135 CO -0.03 -0.53 0.92 -0.63 0.23 0.00 0.00 176.35 176.30 1pp9 s ILE 136 N -3.03 4.70 -0.24 -0.59 -1.09 -0.26 0.19 121.20 120.87 1pp9 s ILE 136 Ca -0.01 1.55 -0.06 0.00 -2.23 0.00 0.00 60.65 59.90 1pp9 s ILE 136 Cb 0.01 -4.25 -0.20 0.00 -1.58 0.00 0.00 42.46 36.45 1pp9 s ILE 136 CO -0.07 -0.28 3.03 0.61 -1.23 0.00 0.00 174.94 177.01 1pp9 n GLY 137 N 3.89 2.88 3.07 6.18 0.00 0.12 -4.31 105.19 117.02 1pp9 n GLY 137 Ca 0.08 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 1pp9 n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pp9 s VAL 138 N 1.56 2.01 0.16 1.61 1.01 -1.26 -4.20 120.40 121.30 1pp9 s VAL 138 Ca 0.56 -1.24 -0.34 0.00 0.00 0.00 0.00 61.98 60.96 1pp9 s VAL 138 Cb 0.25 -2.00 -0.14 0.00 0.00 0.00 0.00 36.38 34.48 1pp9 s VAL 138 CO -0.01 0.22 1.49 0.00 0.00 0.00 0.00 175.10 176.80 1pp9 n THR 140 N 2.88 0.25 0.00 0.00 -2.24 -1.26 -2.02 114.28 111.89 1pp9 n THR 140 Ca 0.16 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 1pp9 n THR 140 Cb 0.27 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 1pp9 n THR 140 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1pp9 n HIS 141 N -1.18 0.00 -1.73 4.78 -0.00 -1.26 -4.51 115.22 111.32 1pp9 n HIS 141 Ca 0.12 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.89 1pp9 n HIS 141 Cb 0.13 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.22 1pp9 n HIS 141 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1pp9 n LEU 142 N -0.48 1.60 0.00 0.27 4.77 -1.26 -4.99 117.00 116.91 1pp9 n LEU 142 Ca 0.00 -2.58 0.00 0.00 -0.03 0.00 0.00 56.01 53.40 1pp9 n LEU 142 Cb 0.00 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1pp9 n LEU 142 CO 0.00 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1pp9 n GLY 143 N -0.61 0.76 3.74 -0.72 0.00 -0.86 -5.02 105.19 102.48 1pp9 n GLY 143 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1pp9 n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pp9 s VAL 145 N -3.33 5.22 0.47 0.00 1.01 -1.26 -0.42 120.40 122.10 1pp9 s VAL 145 Ca 0.70 0.17 -0.24 0.00 0.00 0.00 0.00 61.98 62.61 1pp9 s VAL 145 Cb -0.10 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 1pp9 s VAL 145 CO 0.55 0.07 1.34 -2.84 0.00 0.00 0.00 175.10 174.22 1pp9 s PRO 146 N 1.92 3.58 -0.22 2.72 0.02 -1.26 -4.67 135.00 137.08 1pp9 s PRO 146 Ca 0.10 2.20 -0.16 0.00 0.02 0.00 0.00 61.00 63.17 1pp9 s PRO 146 Cb -0.16 -2.51 -0.04 0.00 0.02 0.00 0.00 34.50 31.81 1pp9 s PRO 146 CO 0.11 -0.83 0.42 0.42 -0.33 0.00 0.00 177.00 176.79 1pp9 s ILE 147 N -1.30 5.17 0.38 2.83 1.01 0.63 -4.82 121.20 125.09 1pp9 s ILE 147 Ca 0.64 0.73 -0.27 0.00 0.00 0.00 0.00 60.65 61.75 1pp9 s ILE 147 Cb -0.39 -3.75 -0.09 0.00 0.01 0.00 0.00 42.46 38.24 1pp9 s ILE 147 CO 0.49 0.20 1.26 0.00 0.00 0.00 0.00 174.94 176.89 1pp9 s ALA 148 N 1.62 3.31 -1.31 9.38 0.00 -1.26 -0.69 121.76 132.81 1pp9 s ALA 148 Ca 0.19 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1pp9 s ALA 148 Cb -0.15 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1pp9 s ALA 148 CO 0.09 -0.66 0.00 0.09 0.00 0.00 0.00 175.76 175.27 1pp9 n ASN 149 N 0.37 -4.52 -4.46 0.00 3.02 0.28 -4.92 115.26 105.03 1pp9 n ASN 149 Ca 0.02 0.06 -0.22 0.00 -0.03 0.00 0.00 54.58 54.41 1pp9 n ASN 149 Cb 0.44 -3.60 -0.11 0.00 -0.61 0.00 0.00 39.78 35.90 1pp9 n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pp9 s ALA 150 N -2.70 2.44 0.00 5.41 0.00 -1.22 -4.89 121.76 120.80 1pp9 s ALA 150 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 51.96 49.91 1pp9 s ALA 150 Cb 0.00 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.75 1pp9 s ALA 150 CO 0.00 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1pp9 n GLY 151 N -0.71 -0.26 0.71 0.00 0.00 -1.26 -3.28 105.19 100.38 1pp9 n GLY 151 Ca -0.03 -1.87 0.05 0.00 0.00 0.00 0.00 46.02 44.17 1pp9 n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pp9 n ASP 152 N -0.46 2.03 0.00 1.61 8.00 -1.26 -3.99 116.55 122.48 1pp9 n ASP 152 Ca 0.00 -2.09 0.00 0.00 0.71 0.00 0.00 54.79 53.41 1pp9 n ASP 152 Cb 0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 1pp9 n ASP 152 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1pp9 n PHE 153 N 0.41 0.00 -1.68 1.24 3.01 -1.26 -4.99 117.46 114.19 1pp9 n PHE 153 Ca 0.11 -0.22 -0.17 0.00 1.01 0.00 0.00 57.45 58.18 1pp9 n PHE 153 Cb 0.36 -0.02 -0.06 0.00 -0.01 0.00 0.00 39.48 39.75 1pp9 n PHE 153 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pp9 n GLY 154 N -0.22 1.26 0.00 1.37 0.00 -1.26 -4.38 105.19 101.97 1pp9 n GLY 154 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1pp9 n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pp9 n GLY 155 N -0.90 -0.00 3.22 -0.02 0.00 -1.22 -4.48 105.19 101.80 1pp9 n GLY 155 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1pp9 n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pp9 s TYR 156 N 0.00 -0.07 -0.09 1.61 1.51 -0.70 -0.56 117.35 119.05 1pp9 s TYR 156 Ca 0.00 -0.04 0.01 0.00 -1.01 0.00 0.00 57.07 56.03 1pp9 s TYR 156 Cb 0.00 0.06 0.02 0.00 -0.11 0.00 0.00 41.96 41.93 1pp9 s TYR 156 CO 0.00 -0.45 -0.09 -0.47 -1.11 0.00 0.00 175.55 173.43 1pp9 s TYR 157 N -2.24 1.43 -0.32 2.71 5.04 0.14 -0.34 117.35 123.76 1pp9 s TYR 157 Ca -0.07 -0.64 -0.20 0.00 -2.44 0.00 0.00 57.07 53.72 1pp9 s TYR 157 Cb -0.02 -1.14 -0.01 0.00 0.35 0.00 0.00 41.96 41.14 1pp9 s TYR 157 CO -0.02 -0.41 0.61 0.00 -1.34 0.00 0.00 175.55 174.39 1pp9 n PRO 159 N 5.89 0.11 -0.05 0.00 -0.04 -1.26 -1.73 135.00 137.92 1pp9 n PRO 159 Ca -0.02 0.31 -0.13 0.00 -0.04 0.00 0.00 63.50 63.62 1pp9 n PRO 159 Cb 0.49 -1.70 -0.07 0.00 -0.04 0.00 0.00 33.50 32.18 1pp9 n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pp9 n HIS 161 N -4.65 0.00 -2.67 0.00 8.25 -1.25 -5.05 115.22 109.85 1pp9 n HIS 161 Ca -0.06 -0.07 -0.07 0.00 -0.26 0.00 0.00 57.72 57.26 1pp9 n HIS 161 Cb 0.30 -0.05 0.03 0.00 1.12 0.00 0.00 29.99 31.39 1pp9 n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pp9 n GLY 162 N 0.07 0.31 3.72 -1.41 0.00 -0.71 -4.60 105.19 102.57 1pp9 n GLY 162 Ca 0.01 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 1pp9 n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pp9 s SER 163 N -3.28 6.58 -0.15 1.61 0.01 -1.14 -4.24 113.70 113.08 1pp9 s SER 163 Ca 0.10 0.69 -0.05 0.00 1.31 0.00 0.00 55.95 58.00 1pp9 s SER 163 Cb -0.04 -2.25 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 1pp9 s SER 163 CO 0.25 0.02 0.03 -1.00 0.41 0.00 0.00 173.24 172.94 1pp9 s HIS 164 N 0.68 3.20 0.26 2.43 0.09 0.11 -0.36 115.29 121.70 1pp9 s HIS 164 Ca 0.22 0.04 0.11 0.00 -0.00 0.00 0.00 55.06 55.43 1pp9 s HIS 164 Cb -0.14 -1.98 -0.05 0.00 -0.00 0.00 0.00 32.58 30.40 1pp9 s HIS 164 CO 0.08 0.21 -0.18 0.71 -0.00 0.00 0.00 174.74 175.55 1pp9 s TYR 165 N 0.03 2.13 0.69 1.40 1.51 0.53 -0.77 117.35 122.87 1pp9 s TYR 165 Ca 0.04 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.74 1pp9 s TYR 165 Cb -0.13 -0.94 0.13 0.00 -0.11 0.00 0.00 41.96 40.92 1pp9 s TYR 165 CO 0.01 0.62 0.95 -0.40 -1.11 0.00 0.00 175.55 175.62 1pp9 n ASP 166 N -0.55 1.68 0.00 2.29 5.68 -0.10 -1.72 116.55 123.83 1pp9 n ASP 166 Ca -0.06 -2.32 0.02 0.00 -0.50 0.00 0.00 54.79 51.94 1pp9 n ASP 166 Cb 0.60 -0.58 0.14 0.00 -1.14 0.00 0.00 41.12 40.15 1pp9 n ASP 166 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pp9 n ALA 167 N -2.68 2.11 0.59 2.12 0.00 -1.26 -0.54 120.51 120.85 1pp9 n ALA 167 Ca -0.16 -0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.32 1pp9 n ALA 167 Cb 0.61 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 1pp9 n ALA 167 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pp9 n SER 168 N -0.63 1.14 0.00 0.00 2.88 -1.26 -4.93 113.62 110.82 1pp9 n SER 168 Ca 0.04 -1.07 0.00 0.00 -1.33 0.00 0.00 58.87 56.51 1pp9 n SER 168 Cb 0.02 0.65 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 1pp9 n SER 168 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pp9 n GLY 169 N 1.12 0.61 3.78 0.46 0.00 0.30 -4.90 105.19 106.57 1pp9 n GLY 169 Ca 0.04 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1pp9 n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pp9 s ARG 170 N -0.32 4.51 -0.07 1.61 0.52 -1.26 -0.15 118.95 123.79 1pp9 s ARG 170 Ca 0.00 1.12 -0.30 0.00 -0.52 0.00 0.00 55.73 56.04 1pp9 s ARG 170 Cb 0.00 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 32.31 1pp9 s ARG 170 CO 0.00 0.50 1.15 -1.50 0.02 0.00 0.00 175.30 175.47 1pp9 s ILE 171 N -1.28 4.40 -0.03 1.52 1.10 -1.26 -0.93 121.20 124.72 1pp9 s ILE 171 Ca 0.39 1.71 0.03 0.00 -0.51 0.00 0.00 60.65 62.27 1pp9 s ILE 171 Cb -0.21 -4.10 -0.05 0.00 0.15 0.00 0.00 42.46 38.25 1pp9 s ILE 171 CO 0.25 -0.00 0.02 0.54 -2.11 0.00 0.00 174.94 173.64 1pp9 n ARG 172 N 5.18 2.85 -3.66 3.50 5.12 0.05 -4.58 116.66 125.12 1pp9 n ARG 172 Ca 0.10 -0.01 -0.15 0.00 -1.93 0.00 0.00 57.85 55.87 1pp9 n ARG 172 Cb 0.47 -1.09 -0.08 0.00 -1.16 0.00 0.00 32.46 30.60 1pp9 n ARG 172 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1pp9 s LYS 173 N -2.12 0.79 0.00 5.56 2.20 -1.08 -4.98 119.74 120.11 1pp9 s LYS 173 Ca -0.02 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.82 1pp9 s LYS 173 Cb 0.01 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 1pp9 s LYS 173 CO 0.15 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 1pp9 n GLY 174 N 1.57 -0.66 0.03 5.54 0.00 -1.26 0.09 105.19 110.49 1pp9 n GLY 174 Ca -0.18 -2.19 0.13 0.00 0.00 0.00 0.00 46.02 43.77 1pp9 n GLY 174 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pp9 n PRO 175 N 0.00 0.11 -1.83 1.61 -0.04 -1.26 -4.92 135.00 128.67 1pp9 n PRO 175 Ca 0.00 0.05 -0.41 0.00 -0.04 0.00 0.00 63.50 63.10 1pp9 n PRO 175 Cb 0.00 -1.59 -0.01 0.00 -0.04 0.00 0.00 33.50 31.86 1pp9 n PRO 175 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pp9 s ALA 176 N -3.06 3.68 0.06 0.55 0.00 -1.26 -4.88 121.76 116.85 1pp9 s ALA 176 Ca 0.10 1.53 0.08 0.00 0.00 0.00 0.00 51.96 53.67 1pp9 s ALA 176 Cb 0.16 -3.62 -0.22 0.00 0.00 0.00 0.00 23.12 19.44 1pp9 s ALA 176 CO 0.65 -0.96 1.06 -1.00 0.00 0.00 0.00 175.76 175.52 1pp9 h PRO 177 N 4.36 0.02 -5.55 0.00 0.13 -1.91 -3.48 132.00 125.55 1pp9 h PRO 177 Ca -0.48 -0.03 -0.50 0.00 -0.87 0.00 0.00 66.00 64.12 1pp9 h PRO 177 Cb 1.22 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 1pp9 h PRO 177 CO 0.75 0.85 -0.68 -0.51 -0.23 0.00 0.00 178.00 178.17 1pp9 s LEU 178 N -6.53 2.50 0.48 1.56 1.43 -1.26 -4.59 118.68 112.27 1pp9 s LEU 178 Ca -0.01 -1.17 -0.21 0.00 -1.03 0.00 0.00 54.13 51.71 1pp9 s LEU 178 Cb 0.09 -0.67 -0.08 0.00 0.03 0.00 0.00 46.19 45.56 1pp9 s LEU 178 CO 0.82 -0.31 1.06 0.20 0.23 0.00 0.00 176.35 178.35 1pp9 s ASN 179 N -3.44 6.30 0.32 2.29 0.01 -1.26 -4.39 114.94 114.76 1pp9 s ASN 179 Ca 0.29 1.99 -0.28 0.00 -0.71 0.00 0.00 52.86 54.15 1pp9 s ASN 179 Cb 0.03 -2.57 -0.13 0.00 0.41 0.00 0.00 41.25 39.00 1pp9 s ASN 179 CO 0.12 -0.81 1.28 0.18 -1.51 0.00 0.00 177.10 176.35 1pp9 n LEU 180 N -0.89 3.33 -4.75 0.60 4.77 0.79 -4.88 117.00 115.97 1pp9 n LEU 180 Ca 0.09 1.20 -0.41 0.00 -0.03 0.00 0.00 56.01 56.85 1pp9 n LEU 180 Cb 0.52 -1.46 -0.02 0.00 -2.33 0.00 0.00 43.42 40.13 1pp9 n LEU 180 CO 0.41 -0.57 1.17 -0.70 -1.33 0.00 0.00 177.39 176.36 1pp9 s GLU 181 N -1.68 4.19 -0.32 3.23 2.12 -1.26 -4.85 118.70 120.13 1pp9 s GLU 181 Ca 0.57 2.45 -0.11 0.00 0.36 0.00 0.00 54.97 58.24 1pp9 s GLU 181 Cb -0.59 -3.05 -0.01 0.00 0.26 0.00 0.00 34.13 30.73 1pp9 s GLU 181 CO 0.61 -0.52 0.18 0.08 -0.54 0.00 0.00 175.26 175.07 1pp9 s VAL 182 N -0.17 4.86 0.76 3.70 1.01 -1.26 -1.10 120.40 128.20 1pp9 s VAL 182 Ca 0.60 -0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.15 1pp9 s VAL 182 Cb -0.45 -3.48 0.06 0.00 0.00 0.00 0.00 36.38 32.52 1pp9 s VAL 182 CO 0.48 0.05 1.11 -2.16 0.00 0.00 0.00 175.10 174.58 1pp9 s PRO 183 N 1.66 2.18 0.21 2.72 0.04 -1.26 -5.01 135.00 135.54 1pp9 s PRO 183 Ca 0.05 0.05 -0.30 0.00 0.04 0.00 0.00 61.00 60.84 1pp9 s PRO 183 Cb -0.17 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.25 1pp9 s PRO 183 CO 0.08 -1.39 1.06 -1.12 0.04 0.00 0.00 177.00 175.67 1pp9 s SER 184 N -4.52 7.35 0.28 6.66 0.01 -1.26 -4.94 113.70 117.28 1pp9 s SER 184 Ca 0.61 2.10 -0.19 0.00 1.31 0.00 0.00 55.95 59.77 1pp9 s SER 184 Cb -0.11 -2.61 0.07 0.00 0.21 0.00 0.00 66.02 63.58 1pp9 s SER 184 CO 0.48 -0.12 0.93 -0.72 0.41 0.00 0.00 173.24 174.22 1pp9 s TYR 185 N -0.66 0.11 -0.12 2.43 -0.85 -1.26 0.15 117.35 117.15 1pp9 s TYR 185 Ca 0.46 -0.65 -0.32 0.00 -0.52 0.00 0.00 57.07 56.04 1pp9 s TYR 185 Cb -0.29 0.77 0.12 0.00 0.38 0.00 0.00 41.96 42.95 1pp9 s TYR 185 CO 0.36 -1.24 1.08 -1.83 -1.52 0.00 0.00 175.55 172.39 1pp9 s GLU 186 N -2.16 0.52 0.55 -3.49 -1.05 -0.93 -4.99 118.70 107.14 1pp9 s GLU 186 Ca 0.19 -0.18 0.05 0.00 -0.15 0.00 0.00 54.97 54.89 1pp9 s GLU 186 Cb -0.04 0.24 0.06 0.00 -0.44 0.00 0.00 34.13 33.95 1pp9 s GLU 186 CO 0.08 -0.22 0.76 -0.06 0.95 0.00 0.00 175.26 176.77 1pp9 s PHE 187 N -2.64 2.18 0.20 4.83 0.40 -1.26 -1.05 117.98 120.64 1pp9 s PHE 187 Ca 0.07 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 56.07 1pp9 s PHE 187 Cb -0.01 -2.54 -0.02 0.00 0.51 0.00 0.00 43.02 40.97 1pp9 s PHE 187 CO -0.06 -0.98 0.18 0.25 0.70 0.00 0.00 175.22 175.30 1pp9 n THR 188 N -2.27 0.00 -0.06 0.64 -2.24 -0.52 -4.86 114.28 104.96 1pp9 n THR 188 Ca 0.12 -1.46 0.00 0.00 -2.27 0.00 0.00 64.05 60.43 1pp9 n THR 188 Cb 0.60 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 1pp9 n THR 188 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1pp9 n SER 189 N -2.18 -0.12 -3.74 3.42 7.64 -1.26 -4.02 113.62 113.36 1pp9 n SER 189 Ca 0.05 -0.06 -0.29 0.00 1.01 0.00 0.00 58.87 59.57 1pp9 n SER 189 Cb 0.37 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.51 1pp9 n SER 189 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1pp9 n ASP 190 N -0.36 -0.89 -2.69 6.43 5.75 -1.26 -2.92 116.55 120.61 1pp9 n ASP 190 Ca 0.00 -0.91 -0.12 0.00 -0.01 0.00 0.00 54.79 53.75 1pp9 n ASP 190 Cb 0.00 -1.16 0.01 0.00 -1.03 0.00 0.00 41.12 38.93 1pp9 n ASP 190 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1pp9 n ASP 191 N -1.67 -2.01 -4.17 -1.12 5.75 -1.26 -4.87 116.55 107.21 1pp9 n ASP 191 Ca 0.02 -0.29 -0.11 0.00 -0.01 0.00 0.00 54.79 54.40 1pp9 n ASP 191 Cb 0.37 -0.64 -0.10 0.00 -1.03 0.00 0.00 41.12 39.72 1pp9 n ASP 191 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1pp9 s MET 192 N -2.47 0.87 -0.02 0.11 -1.94 -1.15 -2.14 119.30 112.57 1pp9 s MET 192 Ca 0.05 -1.38 0.00 0.00 -1.71 0.00 0.00 55.69 52.66 1pp9 s MET 192 Cb -0.01 -0.10 0.02 0.00 2.01 0.00 0.00 34.83 36.75 1pp9 s MET 192 CO 0.36 -0.09 0.00 0.54 -0.01 0.00 0.00 175.02 175.82 1pp9 s VAL 193 N -3.73 0.09 -0.24 -6.03 0.11 -0.92 -1.44 120.40 108.24 1pp9 s VAL 193 Ca 0.15 0.06 -0.06 0.00 -2.93 0.00 0.00 61.98 59.20 1pp9 s VAL 193 Cb 0.06 -0.15 -0.02 0.00 -1.53 0.00 0.00 36.38 34.74 1pp9 s VAL 193 CO -0.03 0.08 0.02 -0.63 -3.33 0.00 0.00 175.10 171.22 1pp9 s ILE 194 N 0.59 3.84 -0.13 7.04 1.01 -0.22 -0.85 121.20 132.49 1pp9 s ILE 194 Ca -0.05 -0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.16 1pp9 s ILE 194 Cb -0.08 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 1pp9 s ILE 194 CO -0.01 0.35 0.10 -0.69 0.00 0.00 0.00 174.94 174.69 1pp9 s VAL 195 N 1.54 5.20 0.00 2.92 1.01 0.02 -2.20 120.40 128.89 1pp9 s VAL 195 Ca 0.06 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1pp9 s VAL 195 Cb -0.15 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1pp9 s VAL 195 CO 0.00 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.28