#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pp9 h HIS 2 N 0.00 0.00 0.00 0.66 -0.00 -2.10 -0.31 115.15 113.40 1pp9 h HIS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1pp9 h HIS 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1pp9 h HIS 2 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.93 178.18 1pp9 n THR 3 N -2.45 0.04 1.42 6.12 -2.24 -1.26 -2.03 114.28 113.89 1pp9 n THR 3 Ca 0.01 0.01 0.14 0.00 -2.27 0.00 0.00 64.05 61.94 1pp9 n THR 3 Cb 0.22 -0.59 0.47 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.07 1.44 -4.59 3.42 8.00 -0.13 -4.82 116.55 118.80 1pp9 n ASP 4 Ca 0.18 -1.37 -0.42 0.00 0.71 0.00 0.00 54.79 53.89 1pp9 n ASP 4 Cb 0.12 0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.20 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 -2.12 4.78 -0.04 0.53 1.01 -0.86 -5.04 121.20 119.45 1pp9 s ILE 5 Ca 0.34 0.96 0.06 0.00 0.00 0.00 0.00 60.65 62.01 1pp9 s ILE 5 Cb 0.21 -4.17 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 1pp9 s ILE 5 CO 0.38 -0.35 -0.23 -0.75 0.00 0.00 0.00 174.94 173.99 1pp9 s LYS 6 N 3.00 2.09 0.24 2.79 2.20 -1.26 -5.10 119.74 123.69 1pp9 s LYS 6 Ca 0.31 -0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 54.80 1pp9 s LYS 6 Cb -0.14 -1.89 -0.10 0.00 -1.51 0.00 0.00 37.83 34.19 1pp9 s LYS 6 CO 0.15 0.42 1.40 0.08 -0.36 0.00 0.00 175.35 177.04 1pp9 s VAL 7 N -0.32 2.81 0.84 4.02 1.01 -1.26 -4.97 120.40 122.53 1pp9 s VAL 7 Ca 0.03 0.68 -0.11 0.00 0.00 0.00 0.00 61.98 62.59 1pp9 s VAL 7 Cb -0.11 -3.44 0.10 0.00 0.00 0.00 0.00 36.38 32.93 1pp9 s VAL 7 CO 0.01 0.11 1.11 -2.84 0.00 0.00 0.00 175.10 173.49 1pp9 s PRO 8 N -0.34 1.66 0.05 2.72 0.02 -1.26 -4.95 135.00 132.91 1pp9 s PRO 8 Ca 0.58 1.25 -0.31 0.00 0.02 0.00 0.00 61.00 62.55 1pp9 s PRO 8 Cb -0.40 -1.82 -0.06 0.00 0.02 0.00 0.00 34.50 32.24 1pp9 s PRO 8 CO 0.42 -2.08 1.22 0.34 -0.33 0.00 0.00 177.00 176.57 1pp9 s ASP 9 N -3.14 7.04 -0.02 2.53 2.15 -1.26 -4.91 116.67 119.06 1pp9 s ASP 9 Ca 0.63 2.02 0.10 0.00 0.43 0.00 0.00 52.55 55.74 1pp9 s ASP 9 Cb -0.19 -2.58 0.29 0.00 -0.30 0.00 0.00 42.92 40.14 1pp9 s ASP 9 CO 0.57 -0.51 1.24 0.49 -0.17 0.00 0.00 175.17 176.79 1pp9 n PHE 10 N 4.14 0.44 -0.21 -5.34 3.72 -1.26 -4.73 117.46 114.22 1pp9 n PHE 10 Ca 0.10 -0.54 0.31 0.00 -0.05 0.00 0.00 57.45 57.26 1pp9 n PHE 10 Cb 0.46 -0.06 0.71 0.00 -0.94 0.00 0.00 39.48 39.65 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 1.71 0.00 1.18 4.37 4.64 -1.96 0.38 113.55 123.86 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 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1pp9 h SER 11 CO 0.02 0.00 0.00 -0.78 -0.87 0.00 0.00 176.83 175.20 1pp9 h ASP 12 N 0.00 0.00 0.00 4.97 3.58 -2.02 -3.24 116.42 119.71 1pp9 h ASP 12 Ca 0.46 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.85 1pp9 h ASP 12 Cb 2.04 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 43.08 1pp9 h ASP 12 CO -0.00 0.00 -1.71 -1.22 -2.88 0.00 0.00 179.24 173.43 1pp9 n TYR 13 N -2.94 0.00 -1.76 0.28 4.01 0.13 -5.04 117.16 111.83 1pp9 n TYR 13 Ca 0.02 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.36 1pp9 n TYR 13 Cb 0.34 -0.41 0.03 0.00 -0.31 0.00 0.00 39.34 38.99 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 -2.81 3.45 0.50 -0.72 0.52 -0.84 -4.97 118.95 114.09 1pp9 s ARG 14 Ca -0.05 2.38 -0.21 0.00 -0.52 0.00 0.00 55.73 57.33 1pp9 s ARG 14 Cb 0.08 -2.50 -0.06 0.00 0.52 0.00 0.00 34.95 32.98 1pp9 s ARG 14 CO 0.57 -0.99 1.17 1.03 0.02 0.00 0.00 175.30 177.10 1pp9 s ARG 15 N -2.63 3.53 0.40 3.54 0.52 -1.26 -4.89 118.95 118.16 1pp9 s ARG 15 Ca 0.65 1.75 0.15 0.00 -0.52 0.00 0.00 55.73 57.76 1pp9 s ARG 15 Cb -0.43 -2.23 1.00 0.00 0.52 0.00 0.00 34.95 33.81 1pp9 s ARG 15 CO 0.54 -0.73 1.88 -1.35 0.02 0.00 0.00 175.30 175.66 1pp9 h PRO 16 N 1.65 0.47 0.00 3.54 0.11 -1.96 -2.11 132.00 133.70 1pp9 h PRO 16 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1pp9 h PRO 16 Cb 1.26 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1pp9 h PRO 16 CO 0.59 0.31 0.00 -0.85 -0.21 0.00 0.00 178.00 177.84 1pp9 n GLU 17 N -4.52 0.04 -0.89 1.05 0.00 -1.26 -2.52 120.64 112.55 1pp9 n GLU 17 Ca 0.17 0.35 0.01 0.00 0.00 0.00 0.00 57.16 57.69 1pp9 n GLU 17 Cb 0.58 -1.59 0.17 0.00 0.00 0.00 0.00 31.44 30.60 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 -1.67 2.14 0.12 3.84 0.24 -0.79 -4.71 118.33 117.49 1pp9 n VAL 18 Ca 0.02 -3.28 0.07 0.00 -2.04 0.00 0.00 64.34 59.11 1pp9 n VAL 18 Cb 0.14 -0.30 0.02 0.00 -1.47 0.00 0.00 33.84 32.23 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 1.20 0.00 -8.71 1.34 3.38 -1.58 -3.45 115.31 107.49 1pp9 h LEU 19 Ca 0.04 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.38 1pp9 h LEU 19 Cb 1.13 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.75 1pp9 h LEU 19 CO 0.12 0.23 0.19 -0.62 0.09 0.00 0.00 178.44 178.46 1pp9 s ASP 20 N -5.83 6.41 0.00 -0.43 -1.08 -1.26 -4.92 116.67 109.56 1pp9 s ASP 20 Ca 0.01 0.01 0.17 0.00 -0.52 0.00 0.00 52.55 52.22 1pp9 s ASP 20 Cb 0.08 -2.34 0.77 0.00 -1.46 0.00 0.00 42.92 39.97 1pp9 s ASP 20 CO 0.76 -0.70 1.54 -1.54 0.52 0.00 0.00 175.17 175.75 1pp9 n SER 21 N 6.24 0.00 -1.30 -0.34 3.41 -1.26 -2.38 113.62 117.98 1pp9 n SER 21 Ca -0.00 0.37 0.12 0.00 -0.26 0.00 0.00 58.87 59.10 1pp9 n SER 21 Cb 0.48 -0.44 0.29 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.44 0.82 -4.50 6.66 -2.24 -1.26 -4.94 114.28 107.39 1pp9 n THR 22 Ca 0.05 -0.91 -0.29 0.00 -2.27 0.00 0.00 64.05 60.64 1pp9 n THR 22 Cb 0.18 0.66 -0.13 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.18 1.45 0.17 -0.78 -0.14 -1.00 -5.11 119.74 113.15 1pp9 s LYS 23 Ca 0.46 -1.26 -0.30 0.00 -1.36 0.00 0.00 55.97 53.51 1pp9 s LYS 23 Cb 0.25 -1.84 -0.08 0.00 -1.68 0.00 0.00 37.83 34.48 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 -1.84 7.12 0.18 2.83 0.15 -1.26 -4.91 113.70 115.97 1pp9 s SER 24 Ca 0.12 2.17 0.26 0.00 0.70 0.00 0.00 55.95 59.21 1pp9 s SER 24 Cb -0.10 -2.60 0.87 0.00 -1.71 0.00 0.00 66.02 62.48 1pp9 s SER 24 CO 0.05 -0.35 1.80 -1.20 1.20 0.00 0.00 173.24 174.73 1pp9 n SER 25 N 2.66 0.70 0.25 5.45 7.64 -1.26 -3.31 113.62 125.75 1pp9 n SER 25 Ca 0.05 0.57 0.12 0.00 1.01 0.00 0.00 58.87 60.61 1pp9 n SER 25 Cb 0.45 -0.76 0.67 0.00 -1.01 0.00 0.00 64.21 63.57 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 -2.07 116.57 115.52 1pp9 h LYS 26 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pp9 h LYS 26 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1pp9 h LYS 26 CO 0.00 0.14 0.00 0.93 -0.57 0.00 0.00 179.45 179.95 1pp9 h GLU 27 N 0.00 0.00 -0.00 3.15 5.08 -1.97 -3.02 114.58 117.82 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 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1pp9 h GLU 27 CO 0.02 0.00 -0.00 -1.13 -1.00 0.00 0.00 179.01 176.90 1pp9 n SER 28 N -3.07 0.77 -0.18 1.42 3.41 -0.82 -4.78 113.62 110.37 1pp9 n SER 28 Ca -0.01 -0.89 -0.04 0.00 -0.26 0.00 0.00 58.87 57.66 1pp9 n SER 28 Cb 0.17 0.24 0.05 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.03 0.48 -0.30 4.04 4.64 -1.30 0.33 113.55 121.46 1pp9 h SER 29 Ca 0.00 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 1pp9 h SER 29 Cb 0.01 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 1pp9 h SER 29 CO 0.00 0.33 0.04 -0.33 -0.87 0.00 0.00 176.83 176.00 1pp9 h GLU 30 N 0.60 0.61 -0.30 4.77 5.08 -1.86 -0.18 114.58 123.30 1pp9 h GLU 30 Ca 0.23 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 1pp9 h GLU 30 Cb 0.08 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1pp9 h GLU 30 CO -0.13 0.61 -0.42 0.00 -1.00 0.00 0.00 179.01 178.07 1pp9 h ALA 31 N 1.46 0.45 -0.40 3.43 0.00 -1.74 -0.48 119.26 121.99 1pp9 h ALA 31 Ca 0.13 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 1pp9 h ALA 31 Cb 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1pp9 h ALA 31 CO 0.01 0.57 -0.29 0.00 0.00 0.00 0.00 179.25 179.54 1pp9 h ARG 32 N 0.57 0.90 -0.21 0.00 3.08 -0.55 -2.06 114.38 116.11 1pp9 h ARG 32 Ca 0.03 -0.44 -0.15 0.00 0.07 0.00 0.00 59.98 59.50 1pp9 h ARG 32 Cb 1.01 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 1pp9 h ARG 32 CO 0.10 1.09 -0.48 0.87 -1.07 0.00 0.00 179.97 180.48 1pp9 h LYS 33 N 0.72 0.56 -0.86 0.04 1.57 -1.08 -2.95 116.57 114.57 1pp9 h LYS 33 Ca 0.08 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 1pp9 h LYS 33 Cb 0.87 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.16 1pp9 h LYS 33 CO 0.08 0.92 0.49 0.78 -0.57 0.00 0.00 179.45 181.14 1pp9 h GLY 34 N 1.06 1.27 0.86 3.86 0.00 -0.93 -0.70 103.07 108.50 1pp9 h GLY 34 Ca 0.02 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 1pp9 h GLY 34 CO 0.09 0.54 -0.03 -2.75 0.00 0.00 0.00 176.54 174.40 1pp9 h PHE 35 N 1.19 -0.07 -0.43 5.60 -0.00 -1.24 -0.92 116.94 121.07 1pp9 h PHE 35 Ca 0.30 -0.00 -0.07 0.00 -0.00 0.00 0.00 57.97 58.20 1pp9 h PHE 35 Cb 0.01 0.02 -0.02 0.00 -0.00 0.00 0.00 35.95 35.97 1pp9 h PHE 35 CO 0.00 0.08 0.00 0.77 -0.00 0.00 0.00 178.31 179.17 1pp9 h SER 36 N -0.22 0.75 0.60 0.41 0.02 -1.37 -2.60 113.55 111.14 1pp9 h SER 36 Ca -0.01 -0.30 -0.06 0.00 -0.84 0.00 0.00 61.79 60.57 1pp9 h SER 36 Cb 0.19 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1pp9 h SER 36 CO 0.01 0.87 -0.30 1.88 -1.14 0.00 0.00 176.83 178.15 1pp9 h TYR 37 N 0.60 0.00 -0.31 3.45 0.05 -1.13 -1.72 116.97 117.91 1pp9 h TYR 37 Ca 0.12 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.79 1pp9 h TYR 37 Cb 0.48 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.21 1pp9 h TYR 37 CO 0.04 0.30 -0.28 1.25 -1.05 0.00 0.00 178.16 178.42 1pp9 h LEU 38 N 0.00 0.65 -0.62 3.88 5.85 -0.91 0.33 115.31 124.49 1pp9 h LEU 38 Ca -0.00 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.40 1pp9 h LEU 38 Cb 0.68 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1pp9 h LEU 38 CO 0.04 0.90 0.12 0.58 -0.34 0.00 0.00 178.44 179.74 1pp9 h VAL 39 N 0.55 1.26 -0.35 1.05 2.07 -0.99 -0.44 116.25 119.39 1pp9 h VAL 39 Ca 0.07 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 1pp9 h VAL 39 Cb 0.76 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1pp9 h VAL 39 CO 0.06 0.36 0.05 0.74 0.02 0.00 0.00 177.57 178.81 1pp9 h THR 40 N 0.93 1.24 -0.50 2.57 2.02 -0.64 -1.73 112.91 116.80 1pp9 h THR 40 Ca 0.19 -0.85 -0.05 0.00 0.77 0.00 0.00 66.41 66.47 1pp9 h THR 40 Cb 0.40 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1pp9 h THR 40 CO 0.01 0.28 0.11 0.00 0.37 0.00 0.00 175.52 176.29 1pp9 h ALA 41 N 0.90 0.66 -0.35 6.16 0.00 -0.12 -1.76 119.26 124.75 1pp9 h ALA 41 Ca 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1pp9 h ALA 41 Cb 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1pp9 h ALA 41 CO 0.01 0.37 0.11 1.15 0.00 0.00 0.00 179.25 180.89 1pp9 h THR 42 N 0.69 1.21 -0.63 0.00 2.02 -1.04 -1.47 112.91 113.70 1pp9 h THR 42 Ca 0.15 -0.67 0.06 0.00 0.77 0.00 0.00 66.41 66.73 1pp9 h THR 42 Cb 0.36 0.99 -0.06 0.00 -1.74 0.00 0.00 68.15 67.70 1pp9 h THR 42 CO 0.00 0.23 0.33 0.74 0.37 0.00 0.00 175.52 177.20 1pp9 h THR 43 N 0.41 0.94 -0.28 3.16 2.02 -1.20 -0.79 112.91 117.17 1pp9 h THR 43 Ca 0.11 -0.21 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 1pp9 h THR 43 Cb 0.24 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1pp9 h THR 43 CO -0.00 0.11 -0.11 0.74 0.37 0.00 0.00 175.52 176.62 1pp9 h THR 44 N 0.61 1.22 -0.30 3.16 2.02 -1.04 -1.07 112.91 117.52 1pp9 h THR 44 Ca 0.29 -0.98 -0.06 0.00 0.77 0.00 0.00 66.41 66.43 1pp9 h THR 44 Cb 0.21 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1pp9 h THR 44 CO -0.20 0.32 -0.04 0.58 0.37 0.00 0.00 175.52 176.55 1pp9 h VAL 45 N 0.44 1.27 -0.50 3.16 2.07 -0.16 -0.22 116.25 122.30 1pp9 h VAL 45 Ca 0.08 -1.05 -0.06 0.00 0.82 0.00 0.00 66.70 66.50 1pp9 h VAL 45 Cb 0.47 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1pp9 h VAL 45 CO 0.03 0.34 0.07 1.23 0.02 0.00 0.00 177.57 179.25 1pp9 h GLY 46 N 0.33 0.86 1.28 2.17 0.00 -0.90 -1.58 103.07 105.23 1pp9 h GLY 46 Ca 0.08 -0.52 -0.15 0.00 0.00 0.00 0.00 47.33 46.74 1pp9 h GLY 46 CO 0.02 0.49 -0.37 -2.08 0.00 0.00 0.00 176.54 174.60 1pp9 h VAL 47 N 0.76 1.28 -0.77 4.60 2.07 -1.01 -2.03 116.25 121.16 1pp9 h VAL 47 Ca 0.16 -1.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.10 1pp9 h VAL 47 Cb 0.36 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1pp9 h VAL 47 CO 0.01 0.50 0.30 0.00 0.02 0.00 0.00 177.57 178.41 1pp9 h ALA 48 N 0.92 1.09 -0.50 1.67 0.00 -0.65 0.23 119.26 122.02 1pp9 h ALA 48 Ca 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1pp9 h ALA 48 Cb 0.92 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1pp9 h ALA 48 CO 0.08 0.65 0.22 -0.92 0.00 0.00 0.00 179.25 179.28 1pp9 h TYR 49 N 1.11 0.75 -0.17 0.00 3.20 -1.10 -0.43 116.97 120.33 1pp9 h TYR 49 Ca 0.26 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 1pp9 h TYR 49 Cb 0.21 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 1pp9 h TYR 49 CO 0.02 0.61 -0.14 0.00 -1.64 0.00 0.00 178.16 177.01 1pp9 h ALA 50 N 1.06 0.24 -0.78 1.82 0.00 -0.91 -2.78 119.26 117.91 1pp9 h ALA 50 Ca 0.17 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1pp9 h ALA 50 Cb 0.16 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1pp9 h ALA 50 CO -0.02 0.11 0.37 0.00 0.00 0.00 0.00 179.25 179.71 1pp9 h ALA 51 N 0.64 1.01 -0.54 0.00 0.00 -0.49 -1.63 119.26 118.24 1pp9 h ALA 51 Ca 0.03 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1pp9 h ALA 51 Cb 0.65 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1pp9 h ALA 51 CO 0.04 0.58 0.34 -0.22 0.00 0.00 0.00 179.25 179.99 1pp9 h LYS 52 N 1.11 0.67 -0.10 0.00 3.64 -1.07 0.03 116.57 120.85 1pp9 h LYS 52 Ca 0.27 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1pp9 h LYS 52 Cb 0.13 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1pp9 h LYS 52 CO -0.03 0.44 -0.02 -0.91 -2.27 0.00 0.00 179.45 176.66 1pp9 h ASN 53 N 0.69 0.18 0.36 4.20 2.35 -1.29 -1.60 115.58 120.47 1pp9 h ASN 53 Ca 0.21 -0.35 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 1pp9 h ASN 53 Cb -0.03 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1pp9 h ASN 53 CO -0.07 0.49 -0.25 0.58 -1.65 0.00 0.00 177.43 176.54 1pp9 h VAL 54 N -0.13 0.48 -0.34 2.81 2.07 -1.18 -0.95 116.25 119.01 1pp9 h VAL 54 Ca 0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1pp9 h VAL 54 Cb 0.41 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1pp9 h VAL 54 CO 0.01 0.00 0.16 0.58 0.02 0.00 0.00 177.57 178.33 1pp9 h VAL 55 N -0.59 0.96 0.00 2.57 2.07 -1.05 -2.05 116.25 118.16 1pp9 h VAL 55 Ca -0.03 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 1pp9 h VAL 55 Cb 0.51 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1pp9 h VAL 55 CO 0.01 0.06 -0.19 0.77 0.02 0.00 0.00 177.57 178.25 1pp9 h SER 56 N 0.33 0.00 -0.26 0.57 4.64 -1.14 -0.92 113.55 116.77 1pp9 h SER 56 Ca 0.14 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.28 1pp9 h SER 56 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1pp9 h SER 56 CO -0.11 0.19 -0.57 1.56 -0.87 0.00 0.00 176.83 177.02 1pp9 h GLN 57 N 0.00 0.84 -0.13 4.77 4.20 -0.50 -0.54 115.11 123.75 1pp9 h GLN 57 Ca -0.00 -0.56 -0.02 0.00 0.06 0.00 0.00 58.65 58.13 1pp9 h GLN 57 Cb 0.42 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1pp9 h GLN 57 CO 0.02 1.19 0.01 0.74 -0.67 0.00 0.00 178.83 180.13 1pp9 h PHE 58 N 0.61 0.25 -0.66 2.96 -1.00 -0.99 -1.78 116.94 116.33 1pp9 h PHE 58 Ca 0.00 -0.04 0.06 0.00 2.81 0.00 0.00 57.97 60.80 1pp9 h PHE 58 Cb 1.19 -0.07 -0.06 0.00 3.61 0.00 0.00 35.95 40.62 1pp9 h PHE 58 CO 0.08 0.44 0.36 0.28 -1.61 0.00 0.00 178.31 177.85 1pp9 h VAL 59 N -0.02 0.95 -0.35 -0.55 2.07 -1.18 -1.79 116.25 115.38 1pp9 h VAL 59 Ca 0.04 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1pp9 h VAL 59 Cb 0.33 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1pp9 h VAL 59 CO 0.00 0.12 0.20 -1.28 0.02 0.00 0.00 177.57 176.63 1pp9 h SER 60 N 0.65 0.42 0.08 0.57 0.87 -0.87 -1.71 113.55 113.55 1pp9 h SER 60 Ca 0.30 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1pp9 h SER 60 Cb 0.21 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1pp9 h SER 60 CO -0.19 0.34 -0.02 0.77 -0.53 0.00 0.00 176.83 177.20 1pp9 h SER 61 N 0.48 0.00 1.39 6.23 4.64 -0.42 -0.81 113.55 125.06 1pp9 h SER 61 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1pp9 h SER 61 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1pp9 h SER 61 CO -0.02 0.02 -0.31 0.24 -0.87 0.00 0.00 176.83 175.88 1pp9 h MET 62 N 0.00 0.00 -7.37 4.77 2.86 -1.35 -3.47 114.93 110.37 1pp9 h MET 62 Ca -0.00 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.15 1pp9 h MET 62 Cb 0.06 0.00 0.12 0.00 0.06 0.00 0.00 31.60 31.83 1pp9 h MET 62 CO 0.00 0.00 0.33 -1.12 1.06 0.00 0.00 176.91 177.18 1pp9 s SER 63 N -5.05 4.49 -0.19 1.22 0.01 -0.31 -4.89 113.70 108.98 1pp9 s SER 63 Ca 0.07 1.45 -0.42 0.00 1.31 0.00 0.00 55.95 58.35 1pp9 s SER 63 Cb 0.10 -2.20 -0.19 0.00 0.21 0.00 0.00 66.02 63.94 1pp9 s SER 63 CO 0.68 -1.99 1.34 0.00 0.41 0.00 0.00 173.24 173.68 1pp9 n ALA 64 N -3.46 -2.33 -1.53 1.44 0.00 -1.26 -4.92 120.51 108.45 1pp9 n ALA 64 Ca 0.07 0.54 -0.30 0.00 0.00 0.00 0.00 53.44 53.75 1pp9 n ALA 64 Cb 0.55 -1.88 0.08 0.00 0.00 0.00 0.00 19.45 18.20 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 1.38 4.83 0.39 0.00 1.04 -1.26 -4.87 113.70 115.21 1pp9 s SER 65 Ca 0.96 1.48 0.15 0.00 0.48 0.00 0.00 55.95 59.02 1pp9 s SER 65 Cb -1.31 -2.27 1.02 0.00 0.10 0.00 0.00 66.02 63.56 1pp9 s SER 65 CO 0.66 -1.78 1.81 0.00 0.98 0.00 0.00 173.24 174.90 1pp9 h ALA 66 N -0.95 2.11 -0.09 5.32 0.00 -2.01 -1.45 119.26 122.19 1pp9 h ALA 66 Ca -0.46 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 1pp9 h ALA 66 Cb 1.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1pp9 h ALA 66 CO 0.58 -0.46 -0.38 0.38 0.00 0.00 0.00 179.25 179.37 1pp9 h ASP 67 N 0.48 0.19 0.46 0.00 2.03 -1.98 -2.97 116.42 114.63 1pp9 h ASP 67 Ca 0.54 -0.07 -0.12 0.00 -0.73 0.00 0.00 57.03 56.65 1pp9 h ASP 67 Cb 1.25 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 39.68 1pp9 h ASP 67 CO -0.27 0.56 -0.54 0.58 -1.03 0.00 0.00 179.24 178.55 1pp9 h VAL 68 N 0.16 1.38 0.00 4.15 2.07 -1.63 -3.09 116.25 119.29 1pp9 h VAL 68 Ca 0.02 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.70 1pp9 h VAL 68 Cb 0.75 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1pp9 h VAL 68 CO 0.06 0.53 0.00 -0.07 0.02 0.00 0.00 177.57 178.11 1pp9 h LEU 69 N 0.06 0.00 -8.05 2.57 3.38 -1.40 -3.42 115.31 108.45 1pp9 h LEU 69 Ca -0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 1pp9 h LEU 69 Cb 0.97 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 1pp9 h LEU 69 CO 0.07 0.00 0.87 0.00 0.09 0.00 0.00 178.44 179.48 1pp9 s ALA 70 N -3.27 1.62 0.34 1.53 0.00 -1.17 -4.93 121.76 115.88 1pp9 s ALA 70 Ca 0.07 -1.91 0.07 0.00 0.00 0.00 0.00 51.96 50.18 1pp9 s ALA 70 Cb 0.08 -4.65 -0.01 0.00 0.00 0.00 0.00 23.12 18.54 1pp9 s ALA 70 CO 0.60 -5.31 0.42 -1.64 0.00 0.00 0.00 175.76 169.83 1pp9 s MET 71 N 6.84 2.99 0.33 0.00 -1.94 -1.26 -5.09 119.30 121.16 1pp9 s MET 71 Ca 0.71 -1.11 -0.05 0.00 -1.71 0.00 0.00 55.69 53.53 1pp9 s MET 71 Cb -0.03 -2.72 0.02 0.00 2.01 0.00 0.00 34.83 34.12 1pp9 s MET 71 CO 0.10 0.06 0.51 -1.13 -0.01 0.00 0.00 175.02 174.56 1pp9 n SER 72 N -1.57 -1.45 -4.96 3.03 3.41 -1.26 -5.18 113.62 105.64 1pp9 n SER 72 Ca -0.00 -2.64 -0.22 0.00 -0.26 0.00 0.00 58.87 55.74 1pp9 n SER 72 Cb 0.59 2.60 0.03 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 -2.56 2.62 -0.02 4.33 1.02 -1.26 -4.92 119.74 118.96 1pp9 s LYS 73 Ca 0.23 -0.63 0.03 0.00 0.02 0.00 0.00 55.97 55.62 1pp9 s LYS 73 Cb -0.02 -2.46 -0.00 0.00 -0.52 0.00 0.00 37.83 34.83 1pp9 s LYS 73 CO 0.17 -0.68 -0.11 -1.50 -0.92 0.00 0.00 175.35 172.31 1pp9 s ILE 74 N -2.78 0.86 -0.12 2.17 2.07 -0.78 -4.98 121.20 117.64 1pp9 s ILE 74 Ca 0.56 -0.44 -0.04 0.00 -1.41 0.00 0.00 60.65 59.32 1pp9 s ILE 74 Cb -0.10 -0.74 -0.03 0.00 0.13 0.00 0.00 42.46 41.71 1pp9 s ILE 74 CO 0.39 0.25 0.03 -1.61 -1.91 0.00 0.00 174.94 172.09 1pp9 s GLU 75 N -0.10 3.30 -0.09 3.50 2.02 -1.26 -0.66 118.70 125.41 1pp9 s GLU 75 Ca 0.02 -0.37 0.01 0.00 0.02 0.00 0.00 54.97 54.64 1pp9 s GLU 75 Cb -0.06 -2.94 0.02 0.00 0.10 0.00 0.00 34.13 31.26 1pp9 s GLU 75 CO -0.00 0.58 -0.09 0.42 0.02 0.00 0.00 175.26 176.19 1pp9 s ILE 76 N -0.53 1.04 -0.44 -1.63 1.01 -0.05 -4.98 121.20 115.62 1pp9 s ILE 76 Ca 0.10 -0.35 -0.28 0.00 0.00 0.00 0.00 60.65 60.11 1pp9 s ILE 76 Cb -0.12 -1.01 0.00 0.00 0.01 0.00 0.00 42.46 41.34 1pp9 s ILE 76 CO 0.02 0.35 1.49 -0.75 0.00 0.00 0.00 174.94 176.06 1pp9 s LYS 77 N 1.26 3.44 0.43 2.79 2.20 -1.26 -2.30 119.74 126.30 1pp9 s LYS 77 Ca -0.04 0.90 0.21 0.00 -0.36 0.00 0.00 55.97 56.69 1pp9 s LYS 77 Cb -0.14 -4.09 0.96 0.00 -1.51 0.00 0.00 37.83 33.05 1pp9 s LYS 77 CO -0.03 -1.74 1.87 -0.07 -0.36 0.00 0.00 175.35 175.02 1pp9 h LEU 78 N 12.81 0.00 0.00 5.43 3.38 -0.87 -3.06 115.31 132.99 1pp9 h LEU 78 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1pp9 h LEU 78 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1pp9 h LEU 78 CO 1.10 0.27 0.00 -1.54 0.09 0.00 0.00 178.44 178.36 1pp9 n SER 79 N -3.65 0.00 -0.07 -0.43 3.41 -1.25 -2.02 113.62 109.62 1pp9 n SER 79 Ca -0.01 0.09 0.11 0.00 -0.26 0.00 0.00 58.87 58.80 1pp9 n SER 79 Cb 0.39 -0.30 0.12 0.00 -0.26 0.00 0.00 64.21 64.16 1pp9 n SER 79 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1pp9 n ASP 80 N -1.30 0.85 -4.28 4.04 8.00 -1.16 -4.74 116.55 117.96 1pp9 n ASP 80 Ca 0.07 -0.68 -0.45 0.00 0.71 0.00 0.00 54.79 54.45 1pp9 n ASP 80 Cb 0.13 0.51 -0.06 0.00 -0.02 0.00 0.00 41.12 41.68 1pp9 n ASP 80 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1pp9 s ILE 81 N -2.90 4.93 0.72 0.53 1.01 -0.86 -5.05 121.20 119.57 1pp9 s ILE 81 Ca 0.12 -1.59 -0.16 0.00 0.00 0.00 0.00 60.65 59.02 1pp9 s ILE 81 Cb 0.17 -4.18 0.03 0.00 0.01 0.00 0.00 42.46 38.49 1pp9 s ILE 81 CO 0.73 -0.85 1.23 -2.84 0.00 0.00 0.00 174.94 173.21 1pp9 s PRO 82 N 1.52 2.20 0.32 2.79 0.02 -1.26 -4.80 135.00 135.79 1pp9 s PRO 82 Ca 0.04 1.83 -0.29 0.00 0.02 0.00 0.00 61.00 62.59 1pp9 s PRO 82 Cb -0.29 -1.83 -0.12 0.00 0.02 0.00 0.00 34.50 32.28 1pp9 s PRO 82 CO 0.02 -1.80 1.51 -1.91 -0.33 0.00 0.00 177.00 174.49 1pp9 n GLU 83 N -2.56 2.56 -0.09 5.54 2.13 -1.26 -1.70 120.64 125.25 1pp9 n GLU 83 Ca 0.14 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.86 1pp9 n GLU 83 Cb 0.50 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 29.57 1pp9 n GLU 83 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pp9 n GLY 84 N 1.54 1.23 3.88 8.31 0.00 0.25 -4.98 105.19 115.42 1pp9 n GLY 84 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.55 3.46 -0.30 1.61 2.20 -0.69 -4.90 119.74 120.58 1pp9 s LYS 85 Ca 0.00 -0.11 -0.08 0.00 -0.36 0.00 0.00 55.97 55.42 1pp9 s LYS 85 Cb 0.00 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1pp9 s LYS 85 CO 0.00 0.77 0.10 1.21 -0.36 0.00 0.00 175.35 177.07 1pp9 s ASN 86 N -1.07 5.27 -0.15 1.43 2.47 -1.26 -0.79 114.94 120.83 1pp9 s ASN 86 Ca 0.16 -0.61 -0.07 0.00 0.42 0.00 0.00 52.86 52.76 1pp9 s ASN 86 Cb -0.12 -1.93 -0.04 0.00 -1.45 0.00 0.00 41.25 37.71 1pp9 s ASN 86 CO 0.05 -0.18 0.10 -0.32 -3.72 0.00 0.00 177.10 173.03 1pp9 s MET 87 N 1.55 3.72 -0.12 0.43 -2.45 0.00 -4.95 119.30 117.48 1pp9 s MET 87 Ca 0.04 -0.24 -0.01 0.00 -1.25 0.00 0.00 55.69 54.22 1pp9 s MET 87 Cb -0.17 -3.21 -0.02 0.00 1.25 0.00 0.00 34.83 32.68 1pp9 s MET 87 CO 0.04 0.51 -0.08 0.00 1.05 0.00 0.00 175.02 176.53 1pp9 s ALA 88 N -0.28 2.84 0.10 4.11 0.00 -1.26 -0.63 121.76 126.64 1pp9 s ALA 88 Ca 0.10 -0.87 0.07 0.00 0.00 0.00 0.00 51.96 51.26 1pp9 s ALA 88 Cb -0.12 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 1pp9 s ALA 88 CO 0.01 0.32 -0.18 -0.06 0.00 0.00 0.00 175.76 175.85 1pp9 s PHE 89 N 0.06 1.61 -0.23 0.00 0.08 0.08 -4.93 117.98 114.65 1pp9 s PHE 89 Ca -0.02 -0.44 -0.20 0.00 0.12 0.00 0.00 56.93 56.39 1pp9 s PHE 89 Cb -0.14 -0.88 -0.02 0.00 -0.57 0.00 0.00 43.02 41.41 1pp9 s PHE 89 CO 0.03 0.17 0.60 0.21 -0.10 0.00 0.00 175.22 176.13 1pp9 s LYS 90 N -1.95 4.14 -0.10 0.44 2.47 -1.26 0.50 119.74 123.98 1pp9 s LYS 90 Ca 0.05 0.52 -0.07 0.00 -1.56 0.00 0.00 55.97 54.90 1pp9 s LYS 90 Cb -0.10 -3.62 0.04 0.00 -1.46 0.00 0.00 37.83 32.70 1pp9 s LYS 90 CO 0.04 -0.32 0.26 -0.46 0.16 0.00 0.00 175.35 175.03 1pp9 s TRP 91 N 2.18 -0.32 -1.53 4.03 -0.00 0.94 -4.90 118.94 119.34 1pp9 s TRP 91 Ca 0.26 0.77 -0.17 0.00 -0.00 0.00 0.00 56.10 56.96 1pp9 s TRP 91 Cb -0.16 0.08 0.15 0.00 -0.00 0.00 0.00 33.47 33.55 1pp9 s TRP 91 CO 0.09 -0.20 0.61 0.54 -0.00 0.00 0.00 176.95 177.99 1pp9 n ARG 92 N 3.71 -2.45 0.00 5.86 1.74 -1.26 -0.64 116.66 123.61 1pp9 n ARG 92 Ca -0.20 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1pp9 n ARG 92 Cb 0.55 -4.95 0.00 0.00 -1.02 0.00 0.00 32.46 27.04 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 -1.17 3.24 3.71 -0.13 0.00 -1.26 -5.04 105.19 104.54 1pp9 n GLY 93 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.54 2.11 0.23 1.61 1.02 0.19 -5.10 119.74 119.25 1pp9 s LYS 94 Ca 0.00 -2.30 -0.30 0.00 0.02 0.00 0.00 55.97 53.39 1pp9 s LYS 94 Cb 0.00 -1.52 -0.09 0.00 -0.52 0.00 0.00 37.83 35.71 1pp9 s LYS 94 CO 0.00 -0.27 1.00 -2.14 -0.92 0.00 0.00 175.35 173.02 1pp9 s PRO 95 N -3.82 4.76 -0.19 -1.68 0.02 -1.26 -0.04 135.00 132.78 1pp9 s PRO 95 Ca 0.15 1.59 0.01 0.00 0.02 0.00 0.00 61.00 62.77 1pp9 s PRO 95 Cb 0.04 -3.27 0.02 0.00 0.02 0.00 0.00 34.50 31.32 1pp9 s PRO 95 CO 0.08 0.36 -0.19 -1.17 -0.33 0.00 0.00 177.00 175.75 1pp9 s LEU 96 N -1.01 2.31 -0.13 -5.54 2.96 0.18 -0.27 118.68 117.18 1pp9 s LEU 96 Ca 0.44 -0.74 -0.14 0.00 -0.22 0.00 0.00 54.13 53.46 1pp9 s LEU 96 Cb -0.28 -1.49 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 1pp9 s LEU 96 CO 0.34 -0.02 0.34 -0.36 -1.32 0.00 0.00 176.35 175.33 1pp9 s PHE 97 N 1.27 3.52 -0.27 5.38 0.08 0.15 -0.74 117.98 127.37 1pp9 s PHE 97 Ca 0.03 0.71 0.01 0.00 0.12 0.00 0.00 56.93 57.80 1pp9 s PHE 97 Cb -0.14 -2.35 0.08 0.00 -0.57 0.00 0.00 43.02 40.04 1pp9 s PHE 97 CO -0.12 0.31 0.02 0.08 -0.10 0.00 0.00 175.22 175.41 1pp9 s VAL 98 N 0.19 1.40 -0.15 -0.44 1.01 0.20 -1.38 120.40 121.22 1pp9 s VAL 98 Ca 0.19 -1.44 -0.01 0.00 0.00 0.00 0.00 61.98 60.72 1pp9 s VAL 98 Cb -0.14 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1pp9 s VAL 98 CO 0.06 -0.38 -0.10 -0.60 0.00 0.00 0.00 175.10 174.09 1pp9 s ARG 99 N 1.40 3.42 -0.51 2.72 3.52 -0.27 -0.82 118.95 128.40 1pp9 s ARG 99 Ca 0.02 -0.65 -0.21 0.00 -0.13 0.00 0.00 55.73 54.76 1pp9 s ARG 99 Cb -0.18 -2.75 0.05 0.00 -1.56 0.00 0.00 34.95 30.50 1pp9 s ARG 99 CO -0.12 0.12 0.76 -1.58 -0.81 0.00 0.00 175.30 173.67 1pp9 s HIS 100 N 0.61 2.95 0.30 5.12 5.65 0.03 -1.60 115.29 128.34 1pp9 s HIS 100 Ca -0.06 -0.25 -0.18 0.00 0.25 0.00 0.00 55.06 54.83 1pp9 s HIS 100 Cb -0.15 -3.74 -0.09 0.00 -1.18 0.00 0.00 32.58 27.42 1pp9 s HIS 100 CO 0.03 -1.14 0.77 1.03 -0.65 0.00 0.00 174.74 174.78 1pp9 s ARG 101 N 3.21 4.14 0.65 2.88 0.52 0.96 0.88 118.95 132.19 1pp9 s ARG 101 Ca 0.23 0.83 -0.03 0.00 -0.52 0.00 0.00 55.73 56.23 1pp9 s ARG 101 Cb -0.16 -2.56 0.06 0.00 0.52 0.00 0.00 34.95 32.81 1pp9 s ARG 101 CO 0.16 0.22 0.92 0.95 0.02 0.00 0.00 175.30 177.56 1pp9 s THR 102 N -1.84 2.42 0.13 0.02 -4.23 -1.26 -4.64 115.64 106.25 1pp9 s THR 102 Ca 0.51 -0.46 -0.16 0.00 -1.18 0.00 0.00 61.69 60.40 1pp9 s THR 102 Cb -0.13 -2.96 -0.01 0.00 1.34 0.00 0.00 72.50 70.75 1pp9 s THR 102 CO 0.18 0.00 1.68 0.50 -0.54 0.00 0.00 174.62 176.45 1pp9 h LYS 103 N -0.33 0.58 -0.90 3.99 3.64 -1.99 -0.88 116.57 120.68 1pp9 h LYS 103 Ca -0.43 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1pp9 h LYS 103 Cb 1.30 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 1pp9 h LYS 103 CO 0.54 0.55 0.59 1.57 -2.27 0.00 0.00 179.45 180.43 1pp9 h LYS 104 N 0.48 1.14 -0.24 1.90 2.10 -1.99 0.56 116.57 120.53 1pp9 h LYS 104 Ca 0.13 -0.07 -0.04 0.00 -2.00 0.00 0.00 60.65 58.67 1pp9 h LYS 104 Cb 0.18 -0.26 -0.01 0.00 -0.90 0.00 0.00 32.23 31.24 1pp9 h LYS 104 CO -0.01 0.76 0.01 0.93 -2.00 0.00 0.00 179.45 179.13 1pp9 h GLU 105 N 1.18 0.42 -0.62 0.07 5.08 -1.86 -0.46 114.58 118.38 1pp9 h GLU 105 Ca 0.34 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1pp9 h GLU 105 Cb -0.08 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 1pp9 h GLU 105 CO -0.09 0.59 0.39 0.82 -1.00 0.00 0.00 179.01 179.73 1pp9 h ILE 106 N 0.20 1.11 -0.27 3.13 2.04 -0.59 -1.76 117.51 121.36 1pp9 h ILE 106 Ca 0.07 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.58 1pp9 h ILE 106 Cb 0.40 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1pp9 h ILE 106 CO 0.01 0.14 -0.17 0.44 0.00 0.00 0.00 178.15 178.57 1pp9 h ASP 107 N 0.79 0.47 -0.39 1.72 3.32 -0.74 -2.04 116.42 119.54 1pp9 h ASP 107 Ca 0.24 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 1pp9 h ASP 107 Cb -0.02 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1pp9 h ASP 107 CO -0.08 0.66 -0.14 1.56 -1.72 0.00 0.00 179.24 179.52 1pp9 h GLN 108 N 0.43 0.85 -0.08 3.56 4.20 -0.48 -2.29 115.11 121.31 1pp9 h GLN 108 Ca 0.07 -0.31 -0.16 0.00 0.06 0.00 0.00 58.65 58.32 1pp9 h GLN 108 Cb 0.56 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1pp9 h GLN 108 CO 0.04 0.94 -0.64 0.93 -0.67 0.00 0.00 178.83 179.43 1pp9 h GLU 109 N 0.76 0.31 -0.24 1.46 4.39 -1.09 -3.03 114.58 117.15 1pp9 h GLU 109 Ca 0.12 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 59.50 1pp9 h GLU 109 Cb 0.66 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1pp9 h GLU 109 CO 0.05 0.84 -0.26 0.00 -1.16 0.00 0.00 179.01 178.48 1pp9 h ALA 110 N 1.10 1.11 0.00 3.43 0.00 -1.22 -2.92 119.26 120.76 1pp9 h ALA 110 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1pp9 h ALA 110 Cb 1.16 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1pp9 h ALA 110 CO 0.10 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.91 1pp9 n ALA 111 N -2.49 2.00 -1.80 0.00 0.00 -0.88 -4.88 120.51 112.47 1pp9 n ALA 111 Ca -0.00 -0.08 -0.41 0.00 0.00 0.00 0.00 53.44 52.94 1pp9 n ALA 111 Cb 0.41 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 1pp9 n ALA 111 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pp9 s VAL 112 N -2.74 2.62 -1.22 0.00 1.01 -1.10 -4.91 120.40 114.05 1pp9 s VAL 112 Ca 0.15 0.60 -0.20 0.00 0.00 0.00 0.00 61.98 62.53 1pp9 s VAL 112 Cb 0.13 -3.38 0.06 0.00 0.00 0.00 0.00 36.38 33.19 1pp9 s VAL 112 CO 0.33 0.13 1.68 -0.70 0.00 0.00 0.00 175.10 176.54 1pp9 s GLU 113 N -1.51 3.81 0.33 2.72 -6.30 -1.26 -4.86 118.70 111.63 1pp9 s GLU 113 Ca 0.52 -1.72 0.12 0.00 -2.50 0.00 0.00 54.97 51.39 1pp9 s GLU 113 Cb -0.41 -5.48 1.04 0.00 0.00 0.00 0.00 34.13 29.28 1pp9 s GLU 113 CO 0.52 -2.34 1.64 0.28 0.02 0.00 0.00 175.26 175.38 1pp9 h VAL 114 N 5.92 0.24 0.00 3.70 2.07 -1.91 0.22 116.25 126.50 1pp9 h VAL 114 Ca 0.37 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1pp9 h VAL 114 Cb 0.91 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1pp9 h VAL 114 CO 1.44 0.04 0.00 0.77 0.02 0.00 0.00 177.57 179.84 1pp9 h SER 115 N 0.23 0.00 0.55 0.57 4.64 -1.96 -1.77 113.55 115.81 1pp9 h SER 115 Ca 0.71 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.03 1pp9 h SER 115 Cb 1.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 1pp9 h SER 115 CO -0.66 0.00 -0.42 0.00 -0.87 0.00 0.00 176.83 174.88 1pp9 n GLN 116 N -2.97 0.04 -2.56 4.77 6.02 0.78 -4.92 117.38 118.54 1pp9 n GLN 116 Ca -0.02 -0.02 -0.35 0.00 -0.01 0.00 0.00 57.00 56.60 1pp9 n GLN 116 Cb 0.10 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.82 1pp9 n GLN 116 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1pp9 s LEU 117 N -2.98 3.99 0.27 1.08 1.43 -0.67 -4.96 118.68 116.84 1pp9 s LEU 117 Ca 0.12 1.97 0.13 0.00 -1.03 0.00 0.00 54.13 55.32 1pp9 s LEU 117 Cb 0.18 -4.38 0.22 0.00 0.03 0.00 0.00 46.19 42.24 1pp9 s LEU 117 CO 0.67 -0.62 1.52 0.08 0.23 0.00 0.00 176.35 178.22 1pp9 h ARG 118 N 2.03 0.00 -2.62 1.70 0.11 -1.88 -3.30 114.38 110.42 1pp9 h ARG 118 Ca -0.49 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 58.99 1pp9 h ARG 118 Cb 1.22 0.00 -0.41 0.00 1.11 0.00 0.00 29.97 31.89 1pp9 h ARG 118 CO 0.61 0.61 -0.74 -3.47 0.10 0.00 0.00 179.97 177.07 1pp9 n ASP 119 N -3.44 1.88 -4.61 0.08 2.03 -1.26 -5.04 116.55 106.18 1pp9 n ASP 119 Ca 0.00 -2.97 -0.46 0.00 0.52 0.00 0.00 54.79 51.89 1pp9 n ASP 119 Cb 0.70 -0.67 -0.04 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 1.95 2.03 -3.67 -0.67 -0.04 -1.24 -4.81 135.00 128.55 1pp9 n PRO 120 Ca 0.25 0.67 -0.14 0.00 -0.04 0.00 0.00 63.50 64.23 1pp9 n PRO 120 Cb 0.42 -2.85 -0.08 0.00 -0.04 0.00 0.00 33.50 30.94 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 5.22 0.72 0.31 0.54 -0.21 -1.26 -5.09 119.66 119.90 1pp9 s GLN 121 Ca 0.98 0.59 -0.17 0.00 0.02 0.00 0.00 55.36 56.77 1pp9 s GLN 121 Cb -0.57 0.35 -0.09 0.00 1.00 0.00 0.00 33.01 33.69 1pp9 s GLN 121 CO 0.45 -0.13 0.76 -1.58 -2.12 0.00 0.00 175.29 172.67 1pp9 s HIS 122 N -0.13 3.44 0.28 0.91 5.65 -1.26 -4.86 115.29 119.32 1pp9 s HIS 122 Ca -0.03 1.31 0.01 0.00 0.25 0.00 0.00 55.06 56.60 1pp9 s HIS 122 Cb -0.03 -2.60 0.54 0.00 -1.18 0.00 0.00 32.58 29.31 1pp9 s HIS 122 CO 0.03 0.13 1.83 0.22 -0.65 0.00 0.00 174.74 176.30 1pp9 h ASP 123 N 2.52 0.90 0.16 9.88 3.58 -1.94 -0.48 116.42 131.04 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 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.10 1pp9 h ASP 123 CO 0.65 0.48 0.00 0.18 -2.88 0.00 0.00 179.24 177.66 1pp9 n LEU 124 N -4.64 0.00 -0.17 2.28 4.77 -1.26 -0.72 117.00 117.27 1pp9 n LEU 124 Ca 0.19 0.17 0.11 0.00 -0.03 0.00 0.00 56.01 56.45 1pp9 n LEU 124 Cb 0.35 -0.17 0.10 0.00 -2.33 0.00 0.00 43.42 41.37 1pp9 n LEU 124 CO 0.27 -0.09 0.30 -0.62 -1.33 0.00 0.00 177.39 175.92 1pp9 n GLU 125 N -1.17 0.46 0.00 3.23 1.02 -0.19 -4.22 120.64 119.76 1pp9 n GLU 125 Ca 0.09 -0.34 0.04 0.00 -0.02 0.00 0.00 57.16 56.93 1pp9 n GLU 125 Cb 0.09 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.01 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 -0.98 2.80 -4.25 3.49 1.74 0.11 -5.00 116.66 114.56 1pp9 n ARG 126 Ca 0.07 -0.40 -0.14 0.00 -0.77 0.00 0.00 57.85 56.61 1pp9 n ARG 126 Cb 0.37 -0.97 -0.10 0.00 -1.02 0.00 0.00 32.46 30.73 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 -1.30 0.93 -0.18 1.55 -7.23 -1.09 -4.77 120.40 108.32 1pp9 s VAL 127 Ca 0.06 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.17 1pp9 s VAL 127 Cb 0.06 -1.99 -0.09 0.00 0.56 0.00 0.00 36.38 34.92 1pp9 s VAL 127 CO 0.22 -0.61 -0.20 0.29 -0.31 0.00 0.00 175.10 174.50 1pp9 n LYS 128 N -0.23 0.40 -4.04 4.82 5.02 -1.26 -4.85 118.16 118.02 1pp9 n LYS 128 Ca -0.08 0.14 -0.33 0.00 -2.02 0.00 0.00 58.31 56.01 1pp9 n LYS 128 Cb 0.62 -1.23 -0.15 0.00 -0.02 0.00 0.00 35.03 34.25 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 -2.33 2.57 0.44 1.97 1.02 -1.26 -5.03 119.74 117.12 1pp9 s LYS 129 Ca -0.24 -1.14 0.29 0.00 0.02 0.00 0.00 55.97 54.90 1pp9 s LYS 129 Cb 0.08 -2.86 1.36 0.00 -0.52 0.00 0.00 37.83 35.89 1pp9 s LYS 129 CO 0.35 -0.45 1.68 -1.35 -0.92 0.00 0.00 175.35 174.66 1pp9 h PRO 130 N 7.89 0.16 0.00 -1.68 0.11 -1.99 0.12 132.00 136.60 1pp9 h PRO 130 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1pp9 h PRO 130 Cb 1.08 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1pp9 h PRO 130 CO 0.53 0.10 0.00 -0.85 -0.21 0.00 0.00 178.00 177.58 1pp9 n GLU 131 N -4.58 0.36 -4.12 1.05 0.00 -1.26 -4.62 120.64 107.47 1pp9 n GLU 131 Ca 0.33 0.08 -0.27 0.00 0.00 0.00 0.00 57.16 57.30 1pp9 n GLU 131 Cb 1.29 -1.50 -0.17 0.00 0.00 0.00 0.00 31.44 31.06 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 -2.45 1.68 -0.13 -1.84 0.52 0.41 -0.02 118.94 117.10 1pp9 s TRP 132 Ca 0.21 -0.82 0.02 0.00 0.02 0.00 0.00 56.10 55.52 1pp9 s TRP 132 Cb 0.13 -1.30 -0.00 0.00 -1.15 0.00 0.00 33.47 31.15 1pp9 s TRP 132 CO 0.29 -0.50 -0.18 0.54 0.02 0.00 0.00 176.95 177.12 1pp9 s VAL 133 N 1.39 2.49 -0.13 4.03 0.11 -0.63 -4.55 120.40 123.11 1pp9 s VAL 133 Ca 0.00 -0.85 0.03 0.00 -2.93 0.00 0.00 61.98 58.23 1pp9 s VAL 133 Cb -0.13 -2.02 0.00 0.00 -1.53 0.00 0.00 36.38 32.70 1pp9 s VAL 133 CO -0.06 0.53 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.40 1pp9 s ILE 134 N 0.59 2.19 0.06 7.04 1.01 -1.26 -1.11 121.20 129.71 1pp9 s ILE 134 Ca -0.10 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 59.53 1pp9 s ILE 134 Cb -0.16 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 1pp9 s ILE 134 CO 0.03 0.55 0.12 -0.76 0.00 0.00 0.00 174.94 174.88 1pp9 s LEU 135 N 0.64 1.72 -0.33 2.97 1.43 -0.48 -4.34 118.68 120.30 1pp9 s LEU 135 Ca -0.11 -0.62 -0.25 0.00 -1.03 0.00 0.00 54.13 52.12 1pp9 s LEU 135 Cb -0.16 0.74 0.01 0.00 0.03 0.00 0.00 46.19 46.81 1pp9 s LEU 135 CO 0.02 -0.61 0.85 -0.63 0.23 0.00 0.00 176.35 176.22 1pp9 s ILE 136 N -3.25 4.71 -0.11 -0.59 -1.09 -0.41 0.35 121.20 120.81 1pp9 s ILE 136 Ca 0.00 1.22 -0.05 0.00 -2.23 0.00 0.00 60.65 59.60 1pp9 s ILE 136 Cb 0.02 -4.23 -0.19 0.00 -1.58 0.00 0.00 42.46 36.48 1pp9 s ILE 136 CO -0.08 -0.36 2.83 0.61 -1.23 0.00 0.00 174.94 176.71 1pp9 n GLY 137 N 4.23 2.61 3.04 6.18 0.00 0.63 -4.26 105.19 117.62 1pp9 n GLY 137 Ca 0.05 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 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 1.61 1.84 0.12 1.61 1.01 -1.26 -4.20 120.40 121.13 1pp9 s VAL 138 Ca 0.51 -1.07 -0.34 0.00 0.00 0.00 0.00 61.98 61.08 1pp9 s VAL 138 Cb 0.23 -1.83 -0.14 0.00 0.00 0.00 0.00 36.38 34.64 1pp9 s VAL 138 CO -0.00 0.26 1.58 0.00 0.00 0.00 0.00 175.10 176.93 1pp9 n THR 140 N 3.48 0.47 0.00 0.00 -2.24 -1.26 -1.93 114.28 112.80 1pp9 n THR 140 Ca 0.18 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 1pp9 n THR 140 Cb 0.27 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 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 -1.24 0.00 -1.95 4.78 -0.00 -1.26 -4.51 115.22 111.04 1pp9 n HIS 141 Ca 0.08 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.85 1pp9 n HIS 141 Cb 0.11 0.00 0.12 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 -0.42 1.84 0.00 0.27 4.77 -1.25 -4.99 117.00 117.21 1pp9 n LEU 142 Ca 0.00 -2.91 0.00 0.00 -0.03 0.00 0.00 56.01 53.07 1pp9 n LEU 142 Cb 0.00 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1pp9 n LEU 142 CO 0.00 0.93 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1pp9 n GLY 143 N -0.42 0.82 3.74 -0.72 0.00 -0.81 -5.02 105.19 102.77 1pp9 n GLY 143 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.31 5.23 0.48 0.00 1.01 -1.26 -0.55 120.40 122.00 1pp9 s VAL 145 Ca 0.70 0.21 -0.23 0.00 0.00 0.00 0.00 61.98 62.66 1pp9 s VAL 145 Cb -0.10 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 1pp9 s VAL 145 CO 0.55 0.11 1.30 -2.84 0.00 0.00 0.00 175.10 174.22 1pp9 s PRO 146 N 1.91 3.56 -0.22 2.72 0.02 -1.26 -4.68 135.00 137.06 1pp9 s PRO 146 Ca 0.10 2.12 -0.16 0.00 0.02 0.00 0.00 61.00 63.08 1pp9 s PRO 146 Cb -0.16 -2.46 -0.04 0.00 0.02 0.00 0.00 34.50 31.86 1pp9 s PRO 146 CO 0.11 -0.82 0.43 0.42 -0.33 0.00 0.00 177.00 176.82 1pp9 s ILE 147 N -1.34 5.16 0.41 2.83 1.01 0.60 -4.82 121.20 125.05 1pp9 s ILE 147 Ca 0.65 0.75 -0.25 0.00 0.00 0.00 0.00 60.65 61.80 1pp9 s ILE 147 Cb -0.37 -3.76 -0.08 0.00 0.01 0.00 0.00 42.46 38.26 1pp9 s ILE 147 CO 0.46 0.19 1.22 0.00 0.00 0.00 0.00 174.94 176.82 1pp9 s ALA 148 N 1.67 3.16 -1.46 9.38 0.00 -1.26 -0.72 121.76 132.53 1pp9 s ALA 148 Ca 0.20 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1pp9 s ALA 148 Cb -0.15 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1pp9 s ALA 148 CO 0.09 -0.68 0.00 0.09 0.00 0.00 0.00 175.76 175.26 1pp9 n ASN 149 N 0.01 -4.70 -4.47 0.00 3.02 -0.01 -4.91 115.26 104.20 1pp9 n ASN 149 Ca 0.05 0.20 -0.25 0.00 -0.03 0.00 0.00 54.58 54.54 1pp9 n ASN 149 Cb 0.45 -3.67 -0.10 0.00 -0.61 0.00 0.00 39.78 35.86 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 -2.65 2.87 0.00 5.41 0.00 -1.22 -4.89 121.76 121.29 1pp9 s ALA 150 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.22 1pp9 s ALA 150 Cb 0.00 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.61 1pp9 s ALA 150 CO 0.00 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1pp9 n GLY 151 N -0.87 -0.26 0.82 0.00 0.00 -1.26 -3.31 105.19 100.32 1pp9 n GLY 151 Ca -0.06 -1.86 0.05 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.54 2.35 -0.05 1.61 8.00 -1.26 -4.02 116.55 122.64 1pp9 n ASP 152 Ca 0.00 -2.13 0.01 0.00 0.71 0.00 0.00 54.79 53.37 1pp9 n ASP 152 Cb 0.00 -0.35 0.01 0.00 -0.02 0.00 0.00 41.12 40.77 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 0.49 0.00 -1.86 1.24 3.01 -1.26 -4.98 117.46 114.09 1pp9 n PHE 153 Ca 0.13 -0.28 -0.20 0.00 1.01 0.00 0.00 57.45 58.10 1pp9 n PHE 153 Cb 0.43 -0.04 -0.06 0.00 -0.01 0.00 0.00 39.48 39.80 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 -0.32 1.08 0.00 1.37 0.00 -1.26 -4.31 105.19 101.75 1pp9 n GLY 154 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.58 -0.09 3.23 -0.02 0.00 -1.21 -4.45 105.19 102.07 1pp9 n GLY 155 Ca -0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.04 -0.08 1.61 1.51 -0.58 -0.83 117.35 118.94 1pp9 s TYR 156 Ca 0.00 -0.17 0.00 0.00 -1.01 0.00 0.00 57.07 55.90 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 -0.50 -0.06 -0.47 -1.11 0.00 0.00 175.55 173.40 1pp9 s TYR 157 N -2.81 1.16 -0.35 2.71 5.04 0.10 -0.31 117.35 122.90 1pp9 s TYR 157 Ca -0.03 -0.47 -0.21 0.00 -2.44 0.00 0.00 57.07 53.92 1pp9 s TYR 157 Cb 0.00 -0.99 0.00 0.00 0.35 0.00 0.00 41.96 41.32 1pp9 s TYR 157 CO -0.05 -0.36 0.65 0.00 -1.34 0.00 0.00 175.55 174.45 1pp9 n PRO 159 N 6.04 0.18 -0.06 0.00 -0.04 -1.26 -1.90 135.00 137.96 1pp9 n PRO 159 Ca -0.01 0.42 -0.12 0.00 -0.04 0.00 0.00 63.50 63.75 1pp9 n PRO 159 Cb 0.49 -1.85 -0.06 0.00 -0.04 0.00 0.00 33.50 32.04 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 -4.68 0.00 -2.79 0.00 8.25 -1.25 -5.05 115.22 109.70 1pp9 n HIS 161 Ca -0.05 -0.12 -0.07 0.00 -0.26 0.00 0.00 57.72 57.22 1pp9 n HIS 161 Cb 0.26 -0.04 0.02 0.00 1.12 0.00 0.00 29.99 31.35 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 0.11 0.52 3.72 -1.41 0.00 -0.80 -4.59 105.19 102.74 1pp9 n GLY 162 Ca 0.01 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.10 6.86 -0.15 1.61 0.01 -1.17 -4.25 113.70 113.51 1pp9 s SER 163 Ca 0.16 1.03 -0.05 0.00 1.31 0.00 0.00 55.95 58.39 1pp9 s SER 163 Cb -0.07 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 1pp9 s SER 163 CO 0.21 -0.07 0.03 -1.00 0.41 0.00 0.00 173.24 172.81 1pp9 s HIS 164 N 0.76 3.20 0.25 2.43 0.09 0.12 -0.44 115.29 121.71 1pp9 s HIS 164 Ca 0.33 0.04 0.11 0.00 -0.00 0.00 0.00 55.06 55.54 1pp9 s HIS 164 Cb -0.17 -1.98 -0.05 0.00 -0.00 0.00 0.00 32.58 30.39 1pp9 s HIS 164 CO 0.15 0.22 -0.19 0.71 -0.00 0.00 0.00 174.74 175.63 1pp9 s TYR 165 N -0.00 2.15 0.61 1.40 1.51 0.58 -0.68 117.35 122.93 1pp9 s TYR 165 Ca 0.04 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.76 1pp9 s TYR 165 Cb -0.12 -0.96 0.11 0.00 -0.11 0.00 0.00 41.96 40.88 1pp9 s TYR 165 CO 0.01 0.61 0.84 -0.40 -1.11 0.00 0.00 175.55 175.51 1pp9 n ASP 166 N -0.47 1.62 0.00 2.29 5.68 -0.36 -1.52 116.55 123.78 1pp9 n ASP 166 Ca -0.06 -2.25 0.03 0.00 -0.50 0.00 0.00 54.79 52.00 1pp9 n ASP 166 Cb 0.60 -0.50 0.15 0.00 -1.14 0.00 0.00 41.12 40.23 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 -2.65 2.10 0.65 2.12 0.00 -1.26 -0.47 120.51 121.01 1pp9 n ALA 167 Ca -0.14 -0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.33 1pp9 n ALA 167 Cb 0.56 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.64 0.84 0.00 0.00 2.88 -1.26 -4.93 113.62 110.51 1pp9 n SER 168 Ca 0.04 -0.92 0.00 0.00 -1.33 0.00 0.00 58.87 56.66 1pp9 n SER 168 Cb 0.02 0.88 0.00 0.00 -0.75 0.00 0.00 64.21 64.36 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 1.27 0.65 3.78 0.46 0.00 0.39 -4.89 105.19 106.85 1pp9 n GLY 169 Ca 0.03 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.53 4.52 -0.06 1.61 0.52 -1.26 -0.12 118.95 123.64 1pp9 s ARG 170 Ca 0.00 1.16 -0.30 0.00 -0.52 0.00 0.00 55.73 56.07 1pp9 s ARG 170 Cb 0.00 -3.05 -0.02 0.00 0.52 0.00 0.00 34.95 32.39 1pp9 s ARG 170 CO 0.00 0.45 1.06 -1.50 0.02 0.00 0.00 175.30 175.33 1pp9 s ILE 171 N -1.36 4.62 -0.04 1.52 1.10 -1.26 -1.22 121.20 124.56 1pp9 s ILE 171 Ca 0.42 1.90 0.03 0.00 -0.51 0.00 0.00 60.65 62.48 1pp9 s ILE 171 Cb -0.21 -4.22 -0.04 0.00 0.15 0.00 0.00 42.46 38.14 1pp9 s ILE 171 CO 0.25 0.05 0.01 0.54 -2.11 0.00 0.00 174.94 173.67 1pp9 n ARG 172 N 4.70 2.97 -3.69 3.50 5.12 0.15 -4.56 116.66 124.85 1pp9 n ARG 172 Ca 0.09 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.86 1pp9 n ARG 172 Cb 0.48 -1.09 -0.08 0.00 -1.16 0.00 0.00 32.46 30.61 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 -2.09 0.75 0.00 5.56 2.20 -1.09 -4.98 119.74 120.09 1pp9 s LYS 173 Ca -0.02 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.66 1pp9 s LYS 173 Cb 0.01 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.68 1pp9 s LYS 173 CO 0.14 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 1pp9 n GLY 174 N 1.45 -0.68 0.01 5.54 0.00 -1.26 0.15 105.19 110.40 1pp9 n GLY 174 Ca -0.19 -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 0.06 -1.91 1.61 -0.04 -1.26 -4.92 135.00 128.54 1pp9 n PRO 175 Ca 0.00 -0.03 -0.41 0.00 -0.04 0.00 0.00 63.50 63.02 1pp9 n PRO 175 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 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 -2.96 3.63 -0.09 0.55 0.00 -1.26 -4.86 121.76 116.77 1pp9 s ALA 176 Ca 0.13 1.45 0.14 0.00 0.00 0.00 0.00 51.96 53.68 1pp9 s ALA 176 Cb 0.18 -3.59 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 1pp9 s ALA 176 CO 0.63 -0.87 1.04 -1.00 0.00 0.00 0.00 175.76 175.56 1pp9 h PRO 177 N 4.31 0.00 -5.39 0.00 0.13 -1.91 -3.48 132.00 125.65 1pp9 h PRO 177 Ca -0.48 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.21 1pp9 h PRO 177 Cb 1.22 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 1pp9 h PRO 177 CO 0.74 0.47 -0.69 -0.51 -0.23 0.00 0.00 178.00 177.78 1pp9 s LEU 178 N -6.14 2.43 0.55 1.56 1.43 -1.26 -4.64 118.68 112.61 1pp9 s LEU 178 Ca -0.01 -1.15 -0.18 0.00 -1.03 0.00 0.00 54.13 51.76 1pp9 s LEU 178 Cb 0.08 -0.54 -0.05 0.00 0.03 0.00 0.00 46.19 45.71 1pp9 s LEU 178 CO 0.80 -0.34 1.08 0.20 0.23 0.00 0.00 176.35 178.31 1pp9 s ASN 179 N -3.37 5.86 0.40 2.29 0.01 -1.26 -4.38 114.94 114.49 1pp9 s ASN 179 Ca 0.27 2.00 -0.27 0.00 -0.71 0.00 0.00 52.86 54.15 1pp9 s ASN 179 Cb 0.03 -2.56 -0.10 0.00 0.41 0.00 0.00 41.25 39.03 1pp9 s ASN 179 CO 0.09 -1.12 1.39 0.18 -1.51 0.00 0.00 177.10 176.14 1pp9 n LEU 180 N -1.48 4.52 -4.77 0.60 4.77 0.83 -4.89 117.00 116.57 1pp9 n LEU 180 Ca 0.10 1.17 -0.41 0.00 -0.03 0.00 0.00 56.01 56.84 1pp9 n LEU 180 Cb 0.52 -1.57 -0.01 0.00 -2.33 0.00 0.00 43.42 40.03 1pp9 n LEU 180 CO 0.43 -0.21 1.11 -0.70 -1.33 0.00 0.00 177.39 176.69 1pp9 s GLU 181 N -2.19 4.19 -0.33 3.23 2.12 -1.26 -4.86 118.70 119.60 1pp9 s GLU 181 Ca 0.57 2.46 -0.09 0.00 0.36 0.00 0.00 54.97 58.27 1pp9 s GLU 181 Cb -0.49 -3.01 0.01 0.00 0.26 0.00 0.00 34.13 30.90 1pp9 s GLU 181 CO 0.61 -0.45 0.16 0.08 -0.54 0.00 0.00 175.26 175.11 1pp9 s VAL 182 N -0.85 4.46 0.74 3.70 1.01 -1.26 -1.29 120.40 126.91 1pp9 s VAL 182 Ca 0.54 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 1pp9 s VAL 182 Cb -0.45 -3.37 0.06 0.00 0.00 0.00 0.00 36.38 32.62 1pp9 s VAL 182 CO 0.57 -0.05 1.10 -2.16 0.00 0.00 0.00 175.10 174.55 1pp9 s PRO 183 N 1.56 2.29 0.24 2.72 0.04 -1.26 -5.01 135.00 135.58 1pp9 s PRO 183 Ca 0.03 0.08 -0.30 0.00 0.04 0.00 0.00 61.00 60.85 1pp9 s PRO 183 Cb -0.18 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 1pp9 s PRO 183 CO 0.06 -1.31 0.99 -1.12 0.04 0.00 0.00 177.00 175.66 1pp9 s SER 184 N -4.49 7.51 0.14 6.66 0.01 -1.26 -4.94 113.70 117.33 1pp9 s SER 184 Ca 0.60 2.04 -0.24 0.00 1.31 0.00 0.00 55.95 59.67 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 0.05 0.63 -0.72 0.41 0.00 0.00 173.24 174.09 1pp9 s TYR 185 N -1.09 -0.52 -0.06 2.43 -0.85 -1.26 0.08 117.35 116.08 1pp9 s TYR 185 Ca 0.43 0.31 -0.03 0.00 -0.52 0.00 0.00 57.07 57.26 1pp9 s TYR 185 Cb -0.28 0.56 0.03 0.00 0.38 0.00 0.00 41.96 42.66 1pp9 s TYR 185 CO 0.35 -0.82 0.13 -1.83 -1.52 0.00 0.00 175.55 171.86 1pp9 s GLU 186 N -3.69 0.09 -0.18 -3.49 -1.05 0.00 -4.98 118.70 105.40 1pp9 s GLU 186 Ca 0.02 0.33 -0.29 0.00 -0.15 0.00 0.00 54.97 54.87 1pp9 s GLU 186 Cb -0.01 -0.15 0.00 0.00 -0.44 0.00 0.00 34.13 33.53 1pp9 s GLU 186 CO -0.12 -0.14 1.04 -0.06 0.95 0.00 0.00 175.26 176.93 1pp9 s PHE 187 N 1.01 3.37 0.00 4.83 0.40 -1.26 -1.24 117.98 125.09 1pp9 s PHE 187 Ca -0.08 1.49 0.00 0.00 -0.60 0.00 0.00 56.93 57.74 1pp9 s PHE 187 Cb -0.10 -3.26 0.00 0.00 0.51 0.00 0.00 43.02 40.17 1pp9 s PHE 187 CO -0.05 -0.47 0.00 0.25 0.70 0.00 0.00 175.22 175.65 1pp9 n THR 188 N 5.04 0.00 -0.20 0.64 -2.24 -0.60 -4.99 114.28 111.92 1pp9 n THR 188 Ca 0.11 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.72 1pp9 n THR 188 Cb 0.47 -0.66 0.17 0.00 -2.10 0.00 0.00 70.33 68.20 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 -0.17 -3.16 0.00 3.42 7.64 -1.26 -4.31 113.62 115.78 1pp9 n SER 189 Ca 0.00 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.38 1pp9 n SER 189 Cb 0.00 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 1pp9 n SER 189 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1pp9 n ASP 190 N -3.86 0.00 -3.22 6.43 9.92 -1.26 -2.42 116.55 122.13 1pp9 n ASP 190 Ca 0.08 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.09 1pp9 n ASP 190 Cb 0.34 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.76 1pp9 n ASP 190 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1pp9 n ASP 191 N -0.02 2.57 -4.26 -2.24 3.85 -1.26 -5.07 116.55 110.11 1pp9 n ASP 191 Ca 0.00 -3.24 -0.17 0.00 -0.71 0.00 0.00 54.79 50.67 1pp9 n ASP 191 Cb 0.00 -0.63 -0.11 0.00 -1.35 0.00 0.00 41.12 39.03 1pp9 n ASP 191 CO 0.00 0.00 0.00 -0.04 -1.01 0.00 0.00 177.20 176.15 1pp9 s MET 192 N -2.36 1.10 -0.01 0.11 1.00 -1.02 -0.10 119.30 118.01 1pp9 s MET 192 Ca 0.41 -1.38 0.00 0.00 0.00 0.00 0.00 55.69 54.72 1pp9 s MET 192 Cb 0.21 -0.85 0.02 0.00 0.00 0.00 0.00 34.83 34.21 1pp9 s MET 192 CO -0.07 0.14 0.00 0.54 0.00 0.00 0.00 175.02 175.63 1pp9 s VAL 193 N -2.70 0.07 -0.22 -6.03 0.11 -0.97 -1.56 120.40 109.09 1pp9 s VAL 193 Ca 0.14 0.07 -0.05 0.00 -2.93 0.00 0.00 61.98 59.21 1pp9 s VAL 193 Cb -0.02 -0.13 -0.02 0.00 -1.53 0.00 0.00 36.38 34.68 1pp9 s VAL 193 CO 0.03 0.08 0.00 -0.63 -3.33 0.00 0.00 175.10 171.25 1pp9 s ILE 194 N 0.60 3.84 -0.14 7.04 1.01 -0.37 -0.87 121.20 132.32 1pp9 s ILE 194 Ca -0.05 -0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.20 1pp9 s ILE 194 Cb -0.08 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 1pp9 s ILE 194 CO -0.01 0.40 0.06 -0.69 0.00 0.00 0.00 174.94 174.70 1pp9 s VAL 195 N 1.33 4.82 0.00 2.92 1.01 0.16 -0.82 120.40 129.83 1pp9 s VAL 195 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1pp9 s VAL 195 Cb -0.15 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1pp9 s VAL 195 CO 0.01 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.26