#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9m s ARG 2 N 0.00 2.95 0.52 1.61 0.52 -0.72 -5.07 118.95 118.77 1k9m s ARG 2 Ca 0.00 -1.14 -0.21 0.00 -0.52 0.00 0.00 55.73 53.85 1k9m s ARG 2 Cb 0.00 -2.76 -0.06 0.00 0.52 0.00 0.00 34.95 32.65 1k9m s ARG 2 CO 0.00 -0.09 1.24 1.03 0.02 0.00 0.00 175.30 177.50 1k9m s ARG 3 N -4.24 3.35 0.66 3.54 1.81 -1.26 -4.82 118.95 117.98 1k9m s ARG 3 Ca 0.49 1.95 -0.04 0.00 -1.72 0.00 0.00 55.73 56.41 1k9m s ARG 3 Cb -0.09 -2.24 0.05 0.00 -0.45 0.00 0.00 34.95 32.22 1k9m s ARG 3 CO 0.32 -0.94 0.94 0.96 -0.68 0.00 0.00 175.30 175.90 1k9m s ILE 4 N -1.47 2.45 0.38 1.52 -4.36 -1.26 -4.92 121.20 113.54 1k9m s ILE 4 Ca 0.70 -0.36 0.08 0.00 -0.26 0.00 0.00 60.65 60.81 1k9m s ILE 4 Cb -0.33 -3.02 0.31 0.00 1.25 0.00 0.00 42.46 40.66 1k9m s ILE 4 CO 0.39 -0.02 1.94 -0.61 0.24 0.00 0.00 174.94 176.88 1k9m h GLN 5 N -0.40 0.64 0.00 0.37 4.15 -1.95 -1.39 115.11 116.54 1k9m h GLN 5 Ca -0.44 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1k9m h GLN 5 Cb 1.31 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1k9m h GLN 5 CO 0.58 0.43 0.00 0.78 -1.93 0.00 0.00 178.83 178.69 1k9m h GLY 6 N 0.66 0.00 0.57 2.39 0.00 -1.99 -1.90 103.07 102.81 1k9m h GLY 6 Ca 0.33 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.33 1k9m h GLY 6 CO -0.12 0.00 -2.01 -1.06 0.00 0.00 0.00 176.54 173.36 1k9m n GLN 7 N -2.42 0.67 -0.16 4.80 6.02 -0.54 -3.86 117.38 121.88 1k9m n GLN 7 Ca -0.00 0.19 -0.04 0.00 -0.01 0.00 0.00 57.00 57.14 1k9m n GLN 7 Cb 0.13 -1.68 0.15 0.00 1.02 0.00 0.00 30.24 29.86 1k9m n GLN 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1k9m h ARG 8 N 0.01 0.91 -0.60 -1.09 -0.00 -1.24 -3.16 114.38 109.21 1k9m h ARG 8 Ca -0.40 -0.20 0.08 0.00 -0.50 0.00 0.00 59.98 58.96 1k9m h ARG 8 Cb 2.08 -0.13 -0.10 0.00 0.00 0.00 0.00 29.97 31.82 1k9m h ARG 8 CO 0.05 0.82 -0.50 0.00 0.00 0.00 0.00 179.97 180.34 1k9m h ARG 9 N 0.87 -0.23 -0.19 0.04 3.08 -1.48 -2.50 114.38 113.97 1k9m h ARG 9 Ca 0.19 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.31 1k9m h ARG 9 Cb 0.32 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1k9m h ARG 9 CO -0.00 -0.16 0.32 0.78 -1.07 0.00 0.00 179.97 179.84 1k9m h GLY 10 N -0.24 0.00 2.00 0.04 0.00 -1.69 -1.52 103.07 101.65 1k9m h GLY 10 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 1k9m h GLY 10 CO -0.71 0.00 -0.03 3.21 0.00 0.00 0.00 176.54 179.01 1k9m h ARG 11 N 0.00 0.00 -2.17 4.80 3.08 -1.58 -3.46 114.38 115.06 1k9m h ARG 11 Ca 0.09 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.00 1k9m h ARG 11 Cb 0.73 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.81 1k9m h ARG 11 CO -0.00 0.03 -0.23 0.41 -1.07 0.00 0.00 179.97 179.12 1k9m n GLY 12 N -0.67 0.30 3.87 0.04 0.00 -0.57 -5.04 105.19 103.10 1k9m n GLY 12 Ca -0.02 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 1k9m n GLY 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k9m s THR 13 N -2.86 1.98 0.17 2.61 -4.23 -1.26 -4.74 115.64 107.31 1k9m s THR 13 Ca 0.14 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.38 1k9m s THR 13 Cb -0.06 -2.92 0.01 0.00 1.34 0.00 0.00 72.50 70.87 1k9m s THR 13 CO 0.17 0.00 1.56 -1.28 -0.54 0.00 0.00 174.62 174.53 1k9m h SER 14 N -1.38 -1.70 -1.22 3.99 0.87 -1.96 0.21 113.55 112.37 1k9m h SER 14 Ca -0.47 0.27 0.35 0.00 -1.23 0.00 0.00 61.79 60.71 1k9m h SER 14 Cb 1.31 0.76 -0.06 0.00 -0.44 0.00 0.00 62.40 63.97 1k9m h SER 14 CO 0.57 -0.32 0.86 0.74 -0.53 0.00 0.00 176.83 178.15 1k9m h THR 15 N -0.19 0.39 -0.02 2.23 2.02 -1.99 -0.00 112.91 115.34 1k9m h THR 15 Ca 0.17 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1k9m h THR 15 Cb 0.54 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1k9m h THR 15 CO -0.75 0.01 0.00 0.49 0.37 0.00 0.00 175.52 175.64 1k9m n PHE 16 N -4.25 0.00 -2.41 3.16 3.01 -0.01 -4.36 117.46 112.61 1k9m n PHE 16 Ca 0.27 -0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.45 1k9m n PHE 16 Cb 1.25 -0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.72 1k9m n PHE 16 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1k9m s ARG 17 N -1.44 3.47 0.04 -1.08 0.52 -0.02 -4.37 118.95 116.07 1k9m s ARG 17 Ca 0.20 0.31 -0.16 0.00 -0.52 0.00 0.00 55.73 55.57 1k9m s ARG 17 Cb 0.14 -2.28 -0.06 0.00 0.52 0.00 0.00 34.95 33.27 1k9m s ARG 17 CO 0.22 -0.37 0.46 0.00 0.02 0.00 0.00 175.30 175.63 1k9m s ALA 18 N -2.89 3.66 -0.44 2.13 0.00 -1.26 -4.31 121.76 118.65 1k9m s ALA 18 Ca 0.50 -0.15 -0.04 0.00 0.00 0.00 0.00 51.96 52.27 1k9m s ALA 18 Cb -0.10 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.51 1k9m s ALA 18 CO 0.47 0.46 1.54 -0.35 0.00 0.00 0.00 175.76 177.89 1k9m n PRO 19 N 1.67 0.98 -0.32 0.00 -0.04 -1.26 -4.65 135.00 131.38 1k9m n PRO 19 Ca -0.12 -0.99 0.04 0.00 -0.04 0.00 0.00 63.50 62.39 1k9m n PRO 19 Cb 0.52 -2.25 0.12 0.00 -0.04 0.00 0.00 33.50 31.85 1k9m n PRO 19 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1k9m h SER 20 N 7.30 -0.85 0.00 3.54 0.02 -1.97 0.28 113.55 121.89 1k9m h SER 20 Ca 0.24 0.27 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 1k9m h SER 20 Cb 0.11 0.56 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1k9m h SER 20 CO 1.26 -0.30 0.19 1.12 -1.14 0.00 0.00 176.83 177.97 1k9m h HIS 21 N -0.00 0.00 -0.01 3.45 2.07 -2.04 0.55 115.15 119.16 1k9m h HIS 21 Ca 0.43 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.95 1k9m h HIS 21 Cb 0.66 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.64 1k9m h HIS 21 CO -0.70 0.00 -0.39 0.54 -3.07 0.00 0.00 177.93 174.31 1k9m n ARG 22 N -2.42 1.06 -2.23 5.12 1.74 1.00 -4.95 116.66 115.99 1k9m n ARG 22 Ca -0.02 -0.80 -0.31 0.00 -0.77 0.00 0.00 57.85 55.96 1k9m n ARG 22 Cb 0.23 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.17 1k9m n ARG 22 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1k9m s TYR 23 N -2.49 3.53 -0.10 -1.55 4.12 0.19 -4.90 117.35 116.16 1k9m s TYR 23 Ca 0.21 1.34 -0.07 0.00 0.02 0.00 0.00 57.07 58.56 1k9m s TYR 23 Cb 0.19 -2.72 -0.02 0.00 -1.52 0.00 0.00 41.96 37.89 1k9m s TYR 23 CO 0.55 -0.47 -0.14 1.63 0.02 0.00 0.00 175.55 177.14 1k9m n LYS 24 N -2.06 0.30 -3.91 -0.62 5.02 -1.26 -5.07 118.16 110.56 1k9m n LYS 24 Ca 0.06 0.36 -0.09 0.00 -2.02 0.00 0.00 58.31 56.62 1k9m n LYS 24 Cb 0.54 -1.29 -0.09 0.00 -0.02 0.00 0.00 35.03 34.17 1k9m n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k9m s ALA 25 N -2.86 -0.11 -0.80 7.82 0.00 -1.26 -5.08 121.76 119.47 1k9m s ALA 25 Ca -0.11 -0.59 -0.16 0.00 0.00 0.00 0.00 51.96 51.10 1k9m s ALA 25 Cb 0.02 0.32 0.18 0.00 0.00 0.00 0.00 23.12 23.64 1k9m s ALA 25 CO 0.17 -0.39 0.83 0.34 0.00 0.00 0.00 175.76 176.71 1k9m s ASP 26 N -2.41 6.62 -0.18 0.00 -1.08 -1.26 -5.00 116.67 113.36 1k9m s ASP 26 Ca -0.01 -2.32 -0.30 0.00 -0.52 0.00 0.00 52.55 49.41 1k9m s ASP 26 Cb 0.02 -2.27 -0.07 0.00 -1.46 0.00 0.00 42.92 39.14 1k9m s ASP 26 CO -0.07 -0.78 2.15 0.18 0.52 0.00 0.00 175.17 177.17 1k9m n LEU 27 N 4.99 3.31 -3.81 -1.34 4.77 -1.26 -4.95 117.00 118.70 1k9m n LEU 27 Ca 0.12 0.41 -0.12 0.00 -0.03 0.00 0.00 56.01 56.38 1k9m n LEU 27 Cb 0.46 -1.50 -0.10 0.00 -2.33 0.00 0.00 43.42 39.95 1k9m n LEU 27 CO 0.42 -0.49 -0.09 -1.61 -1.33 0.00 0.00 177.39 174.29 1k9m s GLU 28 N 5.84 0.43 0.55 3.23 2.02 -1.26 -4.91 118.70 124.59 1k9m s GLU 28 Ca 0.99 0.00 -0.21 0.00 0.02 0.00 0.00 54.97 55.77 1k9m s GLU 28 Cb -0.44 0.19 -0.05 0.00 0.10 0.00 0.00 34.13 33.93 1k9m s GLU 28 CO 0.39 -0.09 1.30 -1.01 0.02 0.00 0.00 175.26 175.87 1k9m s HIS 29 N -0.64 2.38 0.69 1.61 3.76 -0.99 -4.96 115.29 117.13 1k9m s HIS 29 Ca -0.07 1.43 -0.13 0.00 -0.15 0.00 0.00 55.06 56.13 1k9m s HIS 29 Cb -0.04 -3.68 0.01 0.00 1.11 0.00 0.00 32.58 29.98 1k9m s HIS 29 CO 0.02 -2.59 1.09 1.03 -0.85 0.00 0.00 174.74 173.43 1k9m s ARG 30 N -2.96 2.74 -0.16 1.40 0.52 -1.26 -4.77 118.95 114.46 1k9m s ARG 30 Ca 0.72 1.23 -0.13 0.00 -0.52 0.00 0.00 55.73 57.02 1k9m s ARG 30 Cb -0.37 -1.95 -0.05 0.00 0.52 0.00 0.00 34.95 33.10 1k9m s ARG 30 CO 0.43 -1.28 0.28 0.15 0.02 0.00 0.00 175.30 174.90 1k9m s LYS 31 N -4.48 4.23 -0.09 3.54 1.02 -1.26 -5.06 119.74 117.63 1k9m s LYS 31 Ca 0.63 0.06 0.04 0.00 0.02 0.00 0.00 55.97 56.73 1k9m s LYS 31 Cb -0.18 -3.42 -0.00 0.00 -0.52 0.00 0.00 37.83 33.72 1k9m s LYS 31 CO 0.47 0.26 -0.23 0.08 -0.92 0.00 0.00 175.35 175.01 1k9m s VAL 32 N 0.40 1.98 0.15 3.17 1.01 -1.26 -5.01 120.40 120.84 1k9m s VAL 32 Ca 0.16 -0.98 -0.21 0.00 0.00 0.00 0.00 61.98 60.95 1k9m s VAL 32 Cb -0.13 -1.71 0.04 0.00 0.00 0.00 0.00 36.38 34.58 1k9m s VAL 32 CO 0.03 0.54 1.65 -0.33 0.00 0.00 0.00 175.10 176.99 1k9m h GLU 33 N 6.66 -0.17 0.00 2.72 3.07 -1.99 -3.48 114.58 121.39 1k9m h GLU 33 Ca -0.21 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 1k9m h GLU 33 Cb 1.23 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1k9m h GLU 33 CO 0.47 -0.11 0.00 -3.47 -1.40 0.00 0.00 179.01 174.50 1k9m n ASP 34 N -5.35 0.00 0.00 1.42 -0.08 -1.26 -5.05 116.55 106.24 1k9m n ASP 34 Ca -0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1k9m n ASP 34 Cb 0.26 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.72 1k9m n ASP 34 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1k9m n GLY 35 N -0.98 2.55 3.20 0.27 0.00 -1.26 -4.51 105.19 104.47 1k9m n GLY 35 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1k9m n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1k9m n ASP 36 N 0.93 0.00 -0.44 1.61 2.03 -1.26 -4.53 116.55 114.89 1k9m n ASP 36 Ca 0.00 0.00 0.33 0.00 0.52 0.00 0.00 54.79 55.64 1k9m n ASP 36 Cb 0.00 0.00 0.52 0.00 -0.72 0.00 0.00 41.12 40.92 1k9m n ASP 36 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1k9m n VAL 37 N -2.00 -0.02 -1.68 5.18 0.24 -1.26 -4.34 118.33 114.44 1k9m n VAL 37 Ca 0.00 0.99 -0.48 0.00 -2.04 0.00 0.00 64.34 62.81 1k9m n VAL 37 Cb 0.00 -1.65 -0.05 0.00 -1.47 0.00 0.00 33.84 30.68 1k9m n VAL 37 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1k9m n ILE 38 N -3.35 0.59 -4.10 1.34 2.08 -1.26 -4.96 119.36 109.71 1k9m n ILE 38 Ca 0.28 -0.11 -0.10 0.00 0.56 0.00 0.00 62.75 63.39 1k9m n ILE 38 Cb 1.26 -1.89 -0.09 0.00 -0.75 0.00 0.00 39.64 38.17 1k9m n ILE 38 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1k9m s ALA 39 N 4.15 0.63 0.33 -1.39 0.00 -1.26 -1.74 121.76 122.48 1k9m s ALA 39 Ca 0.93 -1.32 -0.12 0.00 0.00 0.00 0.00 51.96 51.46 1k9m s ALA 39 Cb -0.69 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.30 1k9m s ALA 39 CO 0.52 -0.52 0.62 0.20 0.00 0.00 0.00 175.76 176.57 1k9m s GLY 40 N -3.02 0.70 -0.03 0.00 0.00 -0.25 -1.69 107.32 103.02 1k9m s GLY 40 Ca 0.22 -0.97 0.06 0.00 0.00 0.00 0.00 44.72 44.03 1k9m s GLY 40 CO 0.01 -0.57 -0.22 -1.59 0.00 0.00 0.00 173.10 170.73 1k9m s THR 41 N -3.10 1.80 -0.18 0.90 2.01 -0.22 -1.75 115.64 115.10 1k9m s THR 41 Ca 0.21 -0.95 -0.29 0.00 0.31 0.00 0.00 61.69 60.97 1k9m s THR 41 Cb -0.03 -1.51 -0.02 0.00 0.01 0.00 0.00 72.50 70.95 1k9m s THR 41 CO 0.13 0.51 1.43 -0.69 -0.69 0.00 0.00 174.62 175.31 1k9m s VAL 42 N -0.30 3.97 -0.12 3.82 1.01 0.16 -1.10 120.40 127.84 1k9m s VAL 42 Ca 0.02 1.15 0.21 0.00 0.00 0.00 0.00 61.98 63.36 1k9m s VAL 42 Cb -0.11 -3.85 -0.20 0.00 0.00 0.00 0.00 36.38 32.22 1k9m s VAL 42 CO 0.01 -0.22 0.64 0.52 0.00 0.00 0.00 175.10 176.06 1k9m n VAL 43 N 5.79 0.51 -3.64 2.92 0.31 0.19 -0.68 118.33 123.73 1k9m n VAL 43 Ca 0.16 -0.58 -0.02 0.00 -0.01 0.00 0.00 64.34 63.88 1k9m n VAL 43 Cb 0.45 -0.26 -0.04 0.00 -0.91 0.00 0.00 33.84 33.08 1k9m n VAL 43 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1k9m s ASP 44 N -5.06 -0.04 -0.30 4.52 2.15 -1.17 -4.90 116.67 111.87 1k9m s ASP 44 Ca -0.05 0.04 -0.05 0.00 0.43 0.00 0.00 52.55 52.91 1k9m s ASP 44 Cb 0.11 0.04 0.03 0.00 -0.30 0.00 0.00 42.92 42.80 1k9m s ASP 44 CO 0.85 -0.05 0.06 -0.63 -0.17 0.00 0.00 175.17 175.23 1k9m s ILE 45 N -1.35 3.62 0.38 4.11 -1.09 -1.26 0.91 121.20 126.52 1k9m s ILE 45 Ca 0.09 -0.96 0.08 0.00 -2.23 0.00 0.00 60.65 57.63 1k9m s ILE 45 Cb -0.01 -2.94 -0.04 0.00 -1.58 0.00 0.00 42.46 37.89 1k9m s ILE 45 CO -0.06 -0.00 0.22 -1.61 -1.23 0.00 0.00 174.94 172.26 1k9m s GLU 46 N 1.41 2.40 -0.10 2.79 2.02 0.24 -4.89 118.70 122.57 1k9m s GLU 46 Ca -0.00 -1.61 -0.18 0.00 0.02 0.00 0.00 54.97 53.20 1k9m s GLU 46 Cb -0.18 -2.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.81 1k9m s GLU 46 CO 0.01 -0.03 0.49 -1.58 0.02 0.00 0.00 175.26 174.17 1k9m s HIS 47 N -2.48 3.54 -0.45 1.61 5.65 -1.26 0.11 115.29 122.01 1k9m s HIS 47 Ca 0.41 0.92 -0.18 0.00 0.25 0.00 0.00 55.06 56.47 1k9m s HIS 47 Cb -0.01 -2.55 0.03 0.00 -1.18 0.00 0.00 32.58 28.87 1k9m s HIS 47 CO 0.24 0.20 0.52 0.34 -0.65 0.00 0.00 174.74 175.40 1k9m s ASP 48 N 0.48 6.23 0.55 9.88 -1.08 0.08 -4.87 116.67 127.94 1k9m s ASP 48 Ca 0.26 -0.69 0.24 0.00 -0.52 0.00 0.00 52.55 51.85 1k9m s ASP 48 Cb -0.15 -2.26 1.46 0.00 -1.46 0.00 0.00 42.92 40.51 1k9m s ASP 48 CO 0.11 -0.70 2.06 -0.65 0.52 0.00 0.00 175.17 176.52 1k9m h PRO 49 N 8.82 0.00 0.00 4.34 0.11 -1.90 0.16 132.00 143.54 1k9m h PRO 49 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1k9m h PRO 49 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1k9m h PRO 49 CO 0.86 0.00 -0.46 0.00 -0.21 0.00 0.00 178.00 178.19 1k9m h ALA 50 N 1.80 0.76 0.00 -0.75 0.00 -1.92 -3.39 119.26 115.76 1k9m h ALA 50 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1k9m h ALA 50 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1k9m h ALA 50 CO -0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1k9m n ARG 51 N -2.80 0.11 -2.76 0.00 1.74 -0.64 -5.01 116.66 107.30 1k9m n ARG 51 Ca 0.02 -0.51 -0.13 0.00 -0.77 0.00 0.00 57.85 56.47 1k9m n ARG 51 Cb 0.53 -0.77 -0.01 0.00 -1.02 0.00 0.00 32.46 31.19 1k9m n ARG 51 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1k9m n SER 52 N -0.08 -2.99 -4.30 0.55 7.64 0.48 -4.74 113.62 110.18 1k9m n SER 52 Ca 0.00 0.08 -0.16 0.00 1.01 0.00 0.00 58.87 59.80 1k9m n SER 52 Cb 0.19 -2.56 -0.10 0.00 -1.01 0.00 0.00 64.21 60.72 1k9m n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k9m s ALA 53 N -2.55 1.65 0.59 -0.43 0.00 -1.24 -4.96 121.76 114.81 1k9m s ALA 53 Ca 0.13 -1.71 -0.14 0.00 0.00 0.00 0.00 51.96 50.24 1k9m s ALA 53 Cb -0.07 0.55 -0.05 0.00 0.00 0.00 0.00 23.12 23.55 1k9m s ALA 53 CO 0.16 -0.29 1.02 -1.25 0.00 0.00 0.00 175.76 175.41 1k9m s PRO 54 N -3.89 3.56 -0.03 0.00 0.04 -1.26 -0.74 135.00 132.68 1k9m s PRO 54 Ca 0.28 0.95 -0.03 0.00 0.04 0.00 0.00 61.00 62.24 1k9m s PRO 54 Cb 0.06 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.54 1k9m s PRO 54 CO 0.07 -0.60 0.08 0.54 0.04 0.00 0.00 177.00 177.14 1k9m s VAL 55 N -2.81 -0.01 -0.12 -0.36 0.11 0.30 -4.25 120.40 113.25 1k9m s VAL 55 Ca 0.59 0.05 -0.10 0.00 -2.93 0.00 0.00 61.98 59.59 1k9m s VAL 55 Cb -0.12 -0.13 -0.05 0.00 -1.53 0.00 0.00 36.38 34.55 1k9m s VAL 55 CO 0.43 0.02 0.20 0.00 -3.33 0.00 0.00 175.10 172.42 1k9m s ALA 56 N 0.30 3.78 -0.13 1.54 0.00 -0.57 0.82 121.76 127.51 1k9m s ALA 56 Ca -0.02 -0.56 -0.20 0.00 0.00 0.00 0.00 51.96 51.18 1k9m s ALA 56 Cb -0.03 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.92 1k9m s ALA 56 CO -0.01 0.45 0.55 0.00 0.00 0.00 0.00 175.76 176.75 1k9m s ALA 57 N -0.60 3.46 0.05 0.00 0.00 0.26 0.21 121.76 125.13 1k9m s ALA 57 Ca 0.15 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.01 1k9m s ALA 57 Cb -0.13 -2.78 -0.02 0.00 0.00 0.00 0.00 23.12 20.19 1k9m s ALA 57 CO 0.04 -0.15 -0.14 0.08 0.00 0.00 0.00 175.76 175.59 1k9m s VAL 58 N 0.95 1.13 -0.28 0.00 1.01 -0.84 -0.64 120.40 121.74 1k9m s VAL 58 Ca 0.29 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 1k9m s VAL 58 Cb -0.16 -1.04 0.03 0.00 0.00 0.00 0.00 36.38 35.22 1k9m s VAL 58 CO 0.12 -0.03 -0.01 -1.61 0.00 0.00 0.00 175.10 173.56 1k9m s GLU 59 N -1.25 2.68 0.51 2.72 2.02 -0.26 -1.74 118.70 123.36 1k9m s GLU 59 Ca 0.01 -1.10 -0.08 0.00 0.02 0.00 0.00 54.97 53.83 1k9m s GLU 59 Cb -0.08 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.98 1k9m s GLU 59 CO 0.01 -0.51 0.85 -0.06 0.02 0.00 0.00 175.26 175.58 1k9m s PHE 60 N 1.31 3.56 0.17 1.61 0.40 0.13 -1.05 117.98 124.12 1k9m s PHE 60 Ca -0.02 0.98 -0.19 0.00 -0.60 0.00 0.00 56.93 57.10 1k9m s PHE 60 Cb -0.18 -2.44 0.10 0.00 0.51 0.00 0.00 43.02 41.01 1k9m s PHE 60 CO -0.02 -0.36 1.63 0.93 0.70 0.00 0.00 175.22 178.10 1k9m h GLU 61 N 0.25 -0.12 -1.37 0.44 5.08 -1.63 -1.81 114.58 115.42 1k9m h GLU 61 Ca -0.46 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1k9m h GLU 61 Cb 1.20 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1k9m h GLU 61 CO 0.62 -0.08 0.00 -0.40 -1.00 0.00 0.00 179.01 178.15 1k9m n ASP 62 N -5.38 2.21 0.00 1.42 5.75 -1.26 -4.80 116.55 114.49 1k9m n ASP 62 Ca 0.02 -1.43 0.00 0.00 -0.01 0.00 0.00 54.79 53.37 1k9m n ASP 62 Cb 0.29 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 1k9m n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k9m n GLY 63 N 0.74 2.83 3.69 6.12 0.00 -0.68 -5.00 105.19 112.89 1k9m n GLY 63 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1k9m n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k9m s ASP 64 N -0.58 6.42 -0.25 1.61 1.01 -1.26 -4.70 116.67 118.93 1k9m s ASP 64 Ca 0.00 2.76 -0.03 0.00 0.71 0.00 0.00 52.55 56.00 1k9m s ASP 64 Cb 0.00 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.38 1k9m s ASP 64 CO 0.00 -1.00 -0.04 -0.60 0.21 0.00 0.00 175.17 173.75 1k9m s ARG 65 N 2.57 2.97 -0.00 8.23 6.06 -1.26 0.20 118.95 137.72 1k9m s ARG 65 Ca 0.80 -0.90 -0.07 0.00 -2.50 0.00 0.00 55.73 53.06 1k9m s ARG 65 Cb -0.46 -3.05 0.00 0.00 0.06 0.00 0.00 34.95 31.50 1k9m s ARG 65 CO 0.36 -0.37 0.14 1.03 -2.50 0.00 0.00 175.30 173.96 1k9m s ARG 66 N 1.38 0.48 0.33 5.12 0.52 -0.71 -4.99 118.95 121.07 1k9m s ARG 66 Ca 0.02 -0.37 -0.26 0.00 -0.52 0.00 0.00 55.73 54.59 1k9m s ARG 66 Cb -0.16 0.20 -0.10 0.00 0.52 0.00 0.00 34.95 35.41 1k9m s ARG 66 CO -0.03 -0.11 0.99 -0.51 0.02 0.00 0.00 175.30 175.65 1k9m s LEU 67 N -1.32 4.34 0.05 2.53 1.43 -1.26 -1.99 118.68 122.46 1k9m s LEU 67 Ca -0.14 1.94 0.07 0.00 -1.03 0.00 0.00 54.13 54.97 1k9m s LEU 67 Cb -0.07 -3.98 -0.03 0.00 0.03 0.00 0.00 46.19 42.14 1k9m s LEU 67 CO 0.02 -0.16 -0.20 -0.63 0.23 0.00 0.00 176.35 175.61 1k9m s ILE 68 N -1.54 1.59 -0.54 -0.59 1.01 0.55 -4.73 121.20 116.95 1k9m s ILE 68 Ca 0.51 -1.24 -0.26 0.00 0.00 0.00 0.00 60.65 59.66 1k9m s ILE 68 Cb -0.22 -1.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 1k9m s ILE 68 CO 0.27 0.12 2.16 -0.22 0.00 0.00 0.00 174.94 177.27 1k9m s LEU 69 N -1.32 3.36 -0.25 2.97 2.96 -1.26 -1.52 118.68 123.62 1k9m s LEU 69 Ca 0.06 0.76 -0.28 0.00 -0.22 0.00 0.00 54.13 54.45 1k9m s LEU 69 Cb -0.09 -2.54 0.01 0.00 0.50 0.00 0.00 46.19 44.07 1k9m s LEU 69 CO 0.02 -2.64 1.01 0.00 -1.32 0.00 0.00 176.35 173.41 1k9m s ALA 70 N 10.76 3.64 0.70 5.97 0.00 -1.26 -4.92 121.76 136.65 1k9m s ALA 70 Ca 0.84 0.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.76 1k9m s ALA 70 Cb -0.15 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.45 1k9m s ALA 70 CO 0.24 -1.12 1.07 -2.14 0.00 0.00 0.00 175.76 173.81 1k9m s PRO 71 N 3.22 2.90 0.68 0.00 0.02 -1.26 -1.93 135.00 138.63 1k9m s PRO 71 Ca 0.43 0.75 -0.17 0.00 0.02 0.00 0.00 61.00 62.03 1k9m s PRO 71 Cb -0.14 -2.00 0.01 0.00 0.02 0.00 0.00 34.50 32.38 1k9m s PRO 71 CO 0.08 -1.07 1.25 -2.00 -0.33 0.00 0.00 177.00 174.93 1k9m s GLU 72 N -5.16 2.43 0.00 5.54 2.12 0.93 -3.35 118.70 121.20 1k9m s GLU 72 Ca 0.58 1.91 0.00 0.00 0.36 0.00 0.00 54.97 57.82 1k9m s GLU 72 Cb -0.13 -1.85 0.00 0.00 0.26 0.00 0.00 34.13 32.41 1k9m s GLU 72 CO 0.54 -1.65 0.00 0.41 -0.54 0.00 0.00 175.26 174.02 1k9m n GLY 73 N 0.64 0.64 3.75 -1.50 0.00 -1.26 -4.81 105.19 102.65 1k9m n GLY 73 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1k9m n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k9m s VAL 74 N -2.13 5.41 0.31 1.61 1.01 -1.21 -5.05 120.40 120.34 1k9m s VAL 74 Ca 0.00 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.26 1k9m s VAL 74 Cb 0.00 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 1k9m s VAL 74 CO 0.00 0.46 0.07 -0.83 0.00 0.00 0.00 175.10 174.80 1k9m s GLY 75 N 0.14 2.00 0.32 4.51 0.00 -1.26 -5.03 107.32 108.00 1k9m s GLY 75 Ca 0.10 -2.02 -0.29 0.00 0.00 0.00 0.00 44.72 42.51 1k9m s GLY 75 CO -0.00 -1.77 1.54 -0.62 0.00 0.00 0.00 173.10 172.25 1k9m n VAL 76 N -0.64 1.40 0.00 1.40 0.31 -1.26 -2.29 118.33 117.25 1k9m n VAL 76 Ca -0.02 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1k9m n VAL 76 Cb 0.66 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1k9m n VAL 76 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1k9m n GLY 77 N 1.51 2.98 3.57 2.92 0.00 0.14 -4.99 105.19 111.33 1k9m n GLY 77 Ca 0.06 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1k9m n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k9m n ASP 78 N 0.05 0.30 -4.35 1.61 9.92 -0.97 -4.56 116.55 118.55 1k9m n ASP 78 Ca 0.00 0.80 -0.34 0.00 -0.53 0.00 0.00 54.79 54.72 1k9m n ASP 78 Cb 0.00 -1.33 -0.14 0.00 -0.64 0.00 0.00 41.12 39.01 1k9m n ASP 78 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1k9m s GLU 79 N -2.51 3.40 0.15 -1.24 2.12 -1.26 -0.67 118.70 118.69 1k9m s GLU 79 Ca 0.73 -0.64 0.07 0.00 0.36 0.00 0.00 54.97 55.48 1k9m s GLU 79 Cb -0.44 -2.84 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 1k9m s GLU 79 CO 0.50 0.00 -0.01 -0.51 -0.54 0.00 0.00 175.26 174.70 1k9m s LEU 80 N 0.93 3.31 0.02 2.70 1.43 -0.72 -4.96 118.68 121.39 1k9m s LEU 80 Ca -0.01 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 1k9m s LEU 80 Cb -0.15 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 1k9m s LEU 80 CO 0.00 0.12 -0.08 -1.10 0.23 0.00 0.00 176.35 175.52 1k9m s GLN 81 N -2.73 0.57 -0.12 1.70 -0.21 -1.26 -1.09 119.66 116.51 1k9m s GLN 81 Ca 0.26 -0.46 -0.01 0.00 0.02 0.00 0.00 55.36 55.18 1k9m s GLN 81 Cb -0.10 -0.49 0.03 0.00 1.00 0.00 0.00 33.01 33.46 1k9m s GLN 81 CO 0.18 0.12 -0.05 0.08 -2.12 0.00 0.00 175.29 173.50 1k9m s VAL 82 N -0.62 0.88 0.00 1.09 1.01 -0.71 -1.56 120.40 120.49 1k9m s VAL 82 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1k9m s VAL 82 Cb -0.05 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.32 1k9m s VAL 82 CO 0.00 0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1k9m n GLY 83 N 4.97 0.94 0.33 4.51 0.00 -0.56 -4.21 105.19 111.18 1k9m n GLY 83 Ca -0.11 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1k9m n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1k9m h VAL 84 N 2.58 1.19 -0.58 1.61 2.07 -1.86 -2.70 116.25 118.57 1k9m h VAL 84 Ca 0.00 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1k9m h VAL 84 Cb 0.00 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1k9m h VAL 84 CO 0.00 0.20 0.00 0.47 0.02 0.00 0.00 177.57 178.26 1k9m n ASP 85 N -4.39 5.24 -4.76 0.57 8.00 -1.26 -4.89 116.55 115.05 1k9m n ASP 85 Ca 0.07 -2.74 -0.39 0.00 0.71 0.00 0.00 54.79 52.44 1k9m n ASP 85 Cb 0.08 -0.65 0.01 0.00 -0.02 0.00 0.00 41.12 40.54 1k9m n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k9m s ALA 86 N -2.41 3.08 1.18 2.24 0.00 -1.02 -4.97 121.76 119.86 1k9m s ALA 86 Ca 0.51 1.21 -0.14 0.00 0.00 0.00 0.00 51.96 53.54 1k9m s ALA 86 Cb 0.37 -3.49 0.26 0.00 0.00 0.00 0.00 23.12 20.26 1k9m s ALA 86 CO 0.18 -0.96 0.76 -1.91 0.00 0.00 0.00 175.76 173.83 1k9m n GLU 87 N -0.34 -2.41 -3.32 0.00 2.13 -1.26 -4.92 120.64 110.52 1k9m n GLU 87 Ca 0.06 -0.68 -0.37 0.00 0.66 0.00 0.00 57.16 56.84 1k9m n GLU 87 Cb 0.45 -2.04 -0.04 0.00 0.27 0.00 0.00 31.44 30.08 1k9m n GLU 87 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1k9m n ILE 88 N -4.91 3.81 -4.30 6.31 5.41 -1.26 -4.92 119.36 119.50 1k9m n ILE 88 Ca 0.02 -5.48 -0.21 0.00 1.00 0.00 0.00 62.75 58.08 1k9m n ILE 88 Cb 0.56 -2.20 -0.11 0.00 -0.71 0.00 0.00 39.64 37.18 1k9m n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k9m s ALA 89 N -2.24 1.85 0.54 -1.39 0.00 -1.26 -5.10 121.76 114.16 1k9m s ALA 89 Ca 0.33 -1.41 -0.21 0.00 0.00 0.00 0.00 51.96 50.67 1k9m s ALA 89 Cb 0.04 -0.16 -0.07 0.00 0.00 0.00 0.00 23.12 22.93 1k9m s ALA 89 CO -0.00 0.22 1.03 -2.30 0.00 0.00 0.00 175.76 174.71 1k9m n PRO 90 N 0.44 1.17 0.00 0.00 -0.02 -1.26 -2.12 135.00 133.21 1k9m n PRO 90 Ca -0.14 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1k9m n PRO 90 Cb 0.57 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1k9m n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k9m n GLY 91 N 1.18 2.37 3.89 -1.23 0.00 -0.72 -4.97 105.19 105.70 1k9m n GLY 91 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1k9m n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k9m s ASN 92 N -1.96 6.55 -0.11 1.61 -0.87 -0.90 -4.65 114.94 114.60 1k9m s ASN 92 Ca 0.00 0.79 0.03 0.00 -1.57 0.00 0.00 52.86 52.11 1k9m s ASN 92 Cb 0.00 -2.17 0.00 0.00 -0.02 0.00 0.00 41.25 39.06 1k9m s ASN 92 CO 0.00 -0.08 -0.22 -0.89 -2.57 0.00 0.00 177.10 173.34 1k9m s THR 93 N -1.86 2.14 0.04 1.60 2.01 -0.60 -1.19 115.64 117.77 1k9m s THR 93 Ca 0.45 -0.98 -0.28 0.00 0.31 0.00 0.00 61.69 61.20 1k9m s THR 93 Cb -0.11 -1.83 0.07 0.00 0.01 0.00 0.00 72.50 70.64 1k9m s THR 93 CO 0.24 0.55 0.66 -1.48 -0.69 0.00 0.00 174.62 173.91 1k9m s LEU 94 N 0.49 -0.61 0.45 4.42 2.34 -0.74 -1.49 118.68 123.54 1k9m s LEU 94 Ca -0.15 0.39 -0.22 0.00 0.06 0.00 0.00 54.13 54.21 1k9m s LEU 94 Cb -0.17 2.53 -0.11 0.00 -0.56 0.00 0.00 46.19 47.88 1k9m s LEU 94 CO 0.05 -0.75 0.75 -0.81 -1.06 0.00 0.00 176.35 174.53 1k9m n PRO 95 N 0.33 0.87 0.03 1.48 -0.04 -1.26 -2.58 135.00 133.84 1k9m n PRO 95 Ca -0.18 0.32 0.22 0.00 -0.04 0.00 0.00 63.50 63.82 1k9m n PRO 95 Cb 0.61 -1.78 0.73 0.00 -0.04 0.00 0.00 33.50 33.01 1k9m n PRO 95 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1k9m h LEU 96 N 0.99 0.00 -0.40 1.53 3.38 -0.73 -0.93 115.31 119.15 1k9m h LEU 96 Ca -0.43 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.43 1k9m h LEU 96 Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1k9m h LEU 96 CO 0.53 0.00 -0.20 0.00 0.09 0.00 0.00 178.44 178.86 1k9m h ALA 97 N 1.48 0.56 0.00 1.53 0.00 -1.52 -2.95 119.26 118.36 1k9m h ALA 97 Ca 0.25 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1k9m h ALA 97 Cb 1.26 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1k9m h ALA 97 CO -0.00 0.52 0.00 0.39 0.00 0.00 0.00 179.25 180.16 1k9m n GLU 98 N -4.23 0.12 -3.19 0.00 -0.58 -0.37 -4.80 120.64 107.60 1k9m n GLU 98 Ca -0.01 0.05 -0.39 0.00 -0.42 0.00 0.00 57.16 56.38 1k9m n GLU 98 Cb 0.43 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.75 1k9m n GLU 98 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1k9m s ILE 99 N -2.86 4.90 0.15 -3.67 -1.09 -1.12 -5.03 121.20 112.48 1k9m s ILE 99 Ca 0.17 1.27 -0.30 0.00 -2.23 0.00 0.00 60.65 59.55 1k9m s ILE 99 Cb 0.17 -3.94 -0.07 0.00 -1.58 0.00 0.00 42.46 37.04 1k9m s ILE 99 CO 0.45 0.41 1.22 -2.16 -1.23 0.00 0.00 174.94 173.64 1k9m s PRO 100 N -0.16 4.45 0.62 2.79 0.04 -1.26 -4.98 135.00 136.50 1k9m s PRO 100 Ca 0.31 1.88 -0.18 0.00 0.04 0.00 0.00 61.00 63.05 1k9m s PRO 100 Cb -0.18 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.06 1k9m s PRO 100 CO 0.17 -0.17 1.08 0.39 0.04 0.00 0.00 177.00 178.52 1k9m n GLU 101 N 2.99 0.97 -0.58 4.56 1.02 -1.26 -2.84 120.64 125.50 1k9m n GLU 101 Ca 0.06 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1k9m n GLU 101 Cb 0.45 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.57 1k9m n GLU 101 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k9m n GLY 102 N 1.16 0.76 3.77 0.62 0.00 0.10 -5.02 105.19 106.59 1k9m n GLY 102 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1k9m n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k9m s VAL 103 N -2.70 5.18 0.15 1.61 1.01 -1.13 -4.93 120.40 119.59 1k9m s VAL 103 Ca 0.00 0.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.77 1k9m s VAL 103 Cb 0.00 -3.28 -0.08 0.00 0.00 0.00 0.00 36.38 33.02 1k9m s VAL 103 CO 0.00 0.55 1.31 -2.84 0.00 0.00 0.00 175.10 174.12 1k9m s PRO 104 N -0.44 4.38 0.25 2.72 0.02 -1.26 -3.13 135.00 137.54 1k9m s PRO 104 Ca 0.11 2.00 0.02 0.00 0.02 0.00 0.00 61.00 63.15 1k9m s PRO 104 Cb -0.12 -3.24 -0.05 0.00 0.02 0.00 0.00 34.50 31.11 1k9m s PRO 104 CO 0.02 -0.30 0.06 0.08 -0.33 0.00 0.00 177.00 176.52 1k9m s VAL 105 N 0.59 0.75 0.24 3.83 1.01 -0.51 -0.58 120.40 125.73 1k9m s VAL 105 Ca 0.59 -2.00 -0.12 0.00 0.00 0.00 0.00 61.98 60.45 1k9m s VAL 105 Cb -0.35 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1k9m s VAL 105 CO 0.34 -0.14 0.45 0.00 0.00 0.00 0.00 175.10 175.75 1k9m n ASN 107 N -0.38 -5.10 -4.77 0.00 5.15 0.70 -1.31 115.26 109.54 1k9m n ASN 107 Ca -0.01 -0.97 -0.38 0.00 -0.60 0.00 0.00 54.58 52.62 1k9m n ASN 107 Cb 0.62 -2.45 -0.06 0.00 -0.53 0.00 0.00 39.78 37.36 1k9m n ASN 107 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1k9m s VAL 108 N -3.24 5.07 0.41 3.44 1.01 -0.29 -3.96 120.40 122.84 1k9m s VAL 108 Ca 0.24 0.94 -0.24 0.00 0.00 0.00 0.00 61.98 62.92 1k9m s VAL 108 Cb -0.11 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 1k9m s VAL 108 CO 0.89 0.45 1.08 -1.61 0.00 0.00 0.00 175.10 175.92 1k9m s GLU 109 N -0.22 4.09 -0.01 2.72 2.02 -0.92 0.75 118.70 127.12 1k9m s GLU 109 Ca 0.25 1.60 -0.12 0.00 0.02 0.00 0.00 54.97 56.73 1k9m s GLU 109 Cb -0.16 -2.55 -0.32 0.00 0.10 0.00 0.00 34.13 31.20 1k9m s GLU 109 CO 0.12 -0.22 0.81 1.03 0.02 0.00 0.00 175.26 177.02 1k9m h SER 110 N 2.47 0.68 -3.76 -0.19 0.87 -1.92 -3.45 113.55 108.25 1k9m h SER 110 Ca -0.48 -0.89 -0.31 0.00 -1.23 0.00 0.00 61.79 58.88 1k9m h SER 110 Cb 1.22 -0.22 -0.30 0.00 -0.44 0.00 0.00 62.40 62.66 1k9m h SER 110 CO 0.62 1.73 -0.74 -0.94 -0.53 0.00 0.00 176.83 176.96 1k9m s SER 111 N -7.38 0.43 -0.16 6.23 1.04 -1.26 -4.79 113.70 107.82 1k9m s SER 111 Ca -0.13 -0.06 -0.34 0.00 0.48 0.00 0.00 55.95 55.91 1k9m s SER 111 Cb 0.05 -0.10 -0.16 0.00 0.10 0.00 0.00 66.02 65.91 1k9m s SER 111 CO 0.89 0.01 1.02 -0.81 0.98 0.00 0.00 173.24 175.33 1k9m n PRO 112 N 3.28 0.00 -0.13 4.02 -0.04 -1.26 -1.92 135.00 138.95 1k9m n PRO 112 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1k9m n PRO 112 Cb 0.57 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 1k9m n PRO 112 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k9m n GLY 113 N 1.98 1.42 0.00 0.55 0.00 -1.26 -4.90 105.19 102.98 1k9m n GLY 113 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 1k9m n GLY 113 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1k9m n ASP 114 N 0.00 0.00 0.00 1.61 5.68 -0.81 -4.87 116.55 118.17 1k9m n ASP 114 Ca 0.00 0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 1k9m n ASP 114 Cb 0.00 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 1k9m n ASP 114 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k9m n GLY 115 N 0.26 0.56 0.06 6.12 0.00 -1.26 -4.90 105.19 106.03 1k9m n GLY 115 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1k9m n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k9m n GLY 116 N -2.80 0.36 0.96 -0.02 0.00 -1.26 -2.36 105.19 100.06 1k9m n GLY 116 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1k9m n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k9m n LYS 117 N 2.25 0.00 -2.98 1.61 4.76 0.23 -4.85 118.16 119.17 1k9m n LYS 117 Ca 0.00 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.14 1k9m n LYS 117 Cb 0.00 -0.47 -0.03 0.00 -1.84 0.00 0.00 35.03 32.68 1k9m n LYS 117 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1k9m s PHE 118 N -1.91 3.47 -0.29 2.13 2.99 -0.29 -4.69 117.98 119.39 1k9m s PHE 118 Ca 0.00 0.95 -0.16 0.00 0.00 0.00 0.00 56.93 57.72 1k9m s PHE 118 Cb 0.00 -2.36 0.02 0.00 0.00 0.00 0.00 43.02 40.68 1k9m s PHE 118 CO 0.00 -0.03 0.34 0.00 -0.00 0.00 0.00 175.22 175.53 1k9m n ALA 119 N -1.18 -2.62 -0.11 5.36 0.00 -1.26 -1.14 120.51 119.56 1k9m n ALA 119 Ca 0.01 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1k9m n ALA 119 Cb 0.54 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1k9m n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1k9m n ARG 120 N 0.37 0.00 -1.74 0.00 1.74 -1.26 0.25 116.66 116.03 1k9m n ARG 120 Ca -0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 1k9m n ARG 120 Cb 0.45 -0.04 0.06 0.00 -1.02 0.00 0.00 32.46 31.91 1k9m n ARG 120 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k9m s ALA 121 N 0.00 2.64 -0.39 7.54 0.00 -1.26 -4.92 121.76 125.37 1k9m s ALA 121 Ca 0.00 -0.26 -0.42 0.00 0.00 0.00 0.00 51.96 51.28 1k9m s ALA 121 Cb 0.00 -3.07 -0.17 0.00 0.00 0.00 0.00 23.12 19.88 1k9m s ALA 121 CO 0.00 -1.36 1.80 0.43 0.00 0.00 0.00 175.76 176.63 1k9m n SER 122 N -3.17 1.78 0.00 0.00 7.64 -1.26 -2.16 113.62 116.45 1k9m n SER 122 Ca 0.07 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.94 1k9m n SER 122 Cb 0.57 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1k9m n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k9m n GLY 123 N 4.84 0.49 3.95 0.23 0.00 -0.94 -4.56 105.19 109.20 1k9m n GLY 123 Ca 0.33 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.09 1k9m n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k9m s VAL 124 N -2.44 2.13 -0.09 1.61 -7.23 -0.92 -4.60 120.40 108.87 1k9m s VAL 124 Ca 0.00 -0.26 -0.30 0.00 -1.81 0.00 0.00 61.98 59.61 1k9m s VAL 124 Cb 0.00 -2.88 0.12 0.00 0.56 0.00 0.00 36.38 34.18 1k9m s VAL 124 CO 0.00 0.00 0.98 0.54 -0.31 0.00 0.00 175.10 176.31 1k9m s ASN 125 N -4.71 -0.32 0.39 4.85 2.20 -1.26 -1.35 114.94 114.75 1k9m s ASN 125 Ca 0.67 0.11 0.08 0.00 -0.94 0.00 0.00 52.86 52.77 1k9m s ASN 125 Cb -0.07 0.31 -0.01 0.00 -2.00 0.00 0.00 41.25 39.48 1k9m s ASN 125 CO 0.48 -0.47 0.43 0.00 -2.94 0.00 0.00 177.10 174.60 1k9m s ALA 126 N -2.41 4.19 -0.19 3.54 0.00 0.31 -3.81 121.76 123.38 1k9m s ALA 126 Ca 0.04 -1.72 -0.00 0.00 0.00 0.00 0.00 51.96 50.28 1k9m s ALA 126 Cb -0.01 -1.33 0.05 0.00 0.00 0.00 0.00 23.12 21.83 1k9m s ALA 126 CO -0.05 -0.17 -0.05 -1.14 0.00 0.00 0.00 175.76 174.35 1k9m s GLN 127 N -4.18 1.47 -0.29 0.00 2.00 -0.39 -1.43 119.66 116.83 1k9m s GLN 127 Ca 0.48 -0.67 -0.29 0.00 -2.00 0.00 0.00 55.36 52.89 1k9m s GLN 127 Cb -0.07 -2.22 0.01 0.00 0.80 0.00 0.00 33.01 31.53 1k9m s GLN 127 CO 0.30 -0.50 1.20 -1.17 -0.50 0.00 0.00 175.29 174.62 1k9m s LEU 128 N 1.57 3.93 -0.03 3.68 2.96 -1.18 -1.11 118.68 128.50 1k9m s LEU 128 Ca -0.01 1.19 -0.03 0.00 -0.22 0.00 0.00 54.13 55.05 1k9m s LEU 128 Cb -0.17 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 1k9m s LEU 128 CO -0.07 -0.96 -0.06 0.18 -1.32 0.00 0.00 176.35 174.12 1k9m n LEU 129 N 7.19 0.34 -4.75 -0.68 4.77 -0.54 0.03 117.00 123.36 1k9m n LEU 129 Ca 0.13 0.06 -0.30 0.00 -0.03 0.00 0.00 56.01 55.87 1k9m n LEU 129 Cb 0.47 -0.52 -0.07 0.00 -2.33 0.00 0.00 43.42 40.97 1k9m n LEU 129 CO 0.61 -0.46 -0.29 -0.89 -1.33 0.00 0.00 177.39 175.03 1k9m s THR 130 N -1.33 4.38 0.29 -5.08 2.01 -1.15 -4.50 115.64 110.26 1k9m s THR 130 Ca -0.05 -0.83 0.02 0.00 0.31 0.00 0.00 61.69 61.13 1k9m s THR 130 Cb 0.01 -3.10 0.02 0.00 0.01 0.00 0.00 72.50 69.43 1k9m s THR 130 CO 0.07 0.12 0.13 1.41 -0.69 0.00 0.00 174.62 175.67 1k9m n HIS 131 N 0.49 -0.31 0.00 4.92 8.25 -1.26 -1.49 115.22 125.82 1k9m n HIS 131 Ca -0.09 -1.32 0.00 0.00 -0.26 0.00 0.00 57.72 56.05 1k9m n HIS 131 Cb 0.52 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1k9m n HIS 131 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1k9m n ASP 132 N -1.60 0.00 0.07 0.41 -0.08 -1.20 -4.80 116.55 109.35 1k9m n ASP 132 Ca -0.06 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.34 1k9m n ASP 132 Cb 0.35 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.78 1k9m n ASP 132 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1k9m n ARG 133 N -0.77 0.56 -0.04 -0.67 1.74 -1.26 -4.53 116.66 111.69 1k9m n ARG 133 Ca 0.00 0.03 -0.06 0.00 -0.77 0.00 0.00 57.85 57.05 1k9m n ARG 133 Cb 0.00 -1.72 -0.04 0.00 -1.02 0.00 0.00 32.46 29.68 1k9m n ARG 133 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1k9m n ASN 134 N -2.47 3.33 -4.02 0.55 3.02 -1.26 -4.90 115.26 109.52 1k9m n ASN 134 Ca -0.01 -0.05 -0.22 0.00 -0.03 0.00 0.00 54.58 54.28 1k9m n ASN 134 Cb 0.54 -0.12 -0.16 0.00 -0.61 0.00 0.00 39.78 39.43 1k9m n ASN 134 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1k9m s VAL 135 N -2.17 0.93 -0.32 2.41 0.11 -1.26 -4.40 120.40 115.69 1k9m s VAL 135 Ca -0.11 -0.43 -0.05 0.00 -2.93 0.00 0.00 61.98 58.46 1k9m s VAL 135 Cb 0.03 -0.82 0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1k9m s VAL 135 CO 0.20 0.29 0.06 0.00 -3.33 0.00 0.00 175.10 172.32 1k9m s ALA 136 N 0.23 2.95 -0.30 1.54 0.00 0.17 -3.21 121.76 123.15 1k9m s ALA 136 Ca -0.05 -1.74 -0.22 0.00 0.00 0.00 0.00 51.96 49.95 1k9m s ALA 136 Cb -0.10 -2.13 -0.00 0.00 0.00 0.00 0.00 23.12 20.89 1k9m s ALA 136 CO 0.01 -1.30 0.71 0.08 0.00 0.00 0.00 175.76 175.26 1k9m s VAL 137 N 1.34 4.87 -0.04 0.00 1.01 -0.55 -0.67 120.40 126.36 1k9m s VAL 137 Ca -0.03 1.05 0.06 0.00 0.00 0.00 0.00 61.98 63.06 1k9m s VAL 137 Cb -0.20 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 1k9m s VAL 137 CO 0.01 -0.18 -0.21 -0.69 0.00 0.00 0.00 175.10 174.04 1k9m s VAL 138 N 2.77 2.50 -0.41 2.92 1.01 -0.23 -1.47 120.40 127.49 1k9m s VAL 138 Ca 0.29 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 1k9m s VAL 138 Cb -0.15 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 34.34 1k9m s VAL 138 CO 0.12 0.58 0.30 -0.75 0.00 0.00 0.00 175.10 175.35 1k9m s LYS 139 N -0.62 2.95 0.70 2.72 2.20 -0.27 0.89 119.74 128.32 1k9m s LYS 139 Ca 0.09 -1.08 -0.11 0.00 -0.36 0.00 0.00 55.97 54.52 1k9m s LYS 139 Cb -0.11 -3.97 0.01 0.00 -1.51 0.00 0.00 37.83 32.26 1k9m s LYS 139 CO 0.00 -0.78 1.06 -0.51 -0.36 0.00 0.00 175.35 174.76 1k9m s LEU 140 N 1.66 3.05 0.60 5.43 1.43 -0.27 -1.26 118.68 129.31 1k9m s LEU 140 Ca 0.04 1.54 0.28 0.00 -1.03 0.00 0.00 54.13 54.96 1k9m s LEU 140 Cb -0.20 -4.39 1.41 0.00 0.03 0.00 0.00 46.19 43.04 1k9m s LEU 140 CO 0.09 -1.47 1.81 1.55 0.23 0.00 0.00 176.35 178.57 1k9m h PRO 141 N -0.74 0.00 0.00 1.29 0.13 -1.90 0.84 132.00 131.63 1k9m h PRO 141 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1k9m h PRO 141 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1k9m h PRO 141 CO 0.58 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.22 1k9m n SER 142 N -3.55 0.39 0.00 1.44 3.41 -1.26 -4.86 113.62 109.19 1k9m n SER 142 Ca 0.09 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 1k9m n SER 142 Cb 0.75 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1k9m n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k9m n GLY 143 N 0.72 0.57 3.80 5.00 0.00 0.29 -5.07 105.19 110.50 1k9m n GLY 143 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1k9m n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k9m s GLU 144 N -0.91 4.21 -0.49 1.61 2.12 -1.23 -4.79 118.70 119.21 1k9m s GLU 144 Ca 0.00 1.33 -0.19 0.00 0.36 0.00 0.00 54.97 56.46 1k9m s GLU 144 Cb 0.00 -2.41 0.05 0.00 0.26 0.00 0.00 34.13 32.03 1k9m s GLU 144 CO 0.00 -0.07 0.62 -1.64 -0.54 0.00 0.00 175.26 173.63 1k9m s MET 145 N -2.74 3.15 -0.23 4.30 -1.94 -1.26 -1.12 119.30 119.46 1k9m s MET 145 Ca 0.59 -0.77 -0.09 0.00 -1.71 0.00 0.00 55.69 53.71 1k9m s MET 145 Cb -0.16 -4.06 -0.04 0.00 2.01 0.00 0.00 34.83 32.57 1k9m s MET 145 CO 0.21 -1.17 0.11 0.21 -0.01 0.00 0.00 175.02 174.38 1k9m s LYS 146 N 2.67 3.93 -0.12 2.03 2.47 0.26 -4.94 119.74 126.04 1k9m s LYS 146 Ca 0.17 -0.35 -0.25 0.00 -1.56 0.00 0.00 55.97 53.98 1k9m s LYS 146 Cb -0.18 -3.41 -0.02 0.00 -1.46 0.00 0.00 37.83 32.76 1k9m s LYS 146 CO 0.13 0.04 0.82 1.03 0.16 0.00 0.00 175.35 177.53 1k9m s ARG 147 N 1.07 4.37 0.09 4.03 0.52 -1.26 -1.06 118.95 126.70 1k9m s ARG 147 Ca 0.06 1.04 0.04 0.00 -0.52 0.00 0.00 55.73 56.35 1k9m s ARG 147 Cb -0.14 -3.53 -0.03 0.00 0.52 0.00 0.00 34.95 31.77 1k9m s ARG 147 CO 0.04 -0.19 -0.11 -0.51 0.02 0.00 0.00 175.30 174.55 1k9m s LEU 148 N 1.65 2.36 0.12 2.53 1.43 0.15 -4.95 118.68 121.98 1k9m s LEU 148 Ca 0.40 -0.74 -0.31 0.00 -1.03 0.00 0.00 54.13 52.44 1k9m s LEU 148 Cb -0.17 -0.37 -0.09 0.00 0.03 0.00 0.00 46.19 45.59 1k9m s LEU 148 CO 0.16 -0.20 1.60 -0.62 0.23 0.00 0.00 176.35 177.52 1k9m s ASP 149 N -2.21 6.60 0.00 2.29 -1.08 -1.26 0.46 116.67 121.46 1k9m s ASP 149 Ca 0.03 2.55 0.00 0.00 -0.52 0.00 0.00 52.55 54.60 1k9m s ASP 149 Cb -0.05 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 1k9m s ASP 149 CO 0.01 -0.85 0.91 -0.81 0.52 0.00 0.00 175.17 174.95 1k9m n PRO 150 N 4.74 0.00 0.14 4.34 -0.04 -1.26 -0.55 135.00 142.37 1k9m n PRO 150 Ca 0.15 0.41 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 1k9m n PRO 150 Cb 0.40 -1.52 0.24 0.00 -0.04 0.00 0.00 33.50 32.58 1k9m n PRO 150 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1k9m h GLN 151 N 0.00 0.00 -6.44 0.54 5.75 -1.95 -1.25 115.11 111.76 1k9m h GLN 151 Ca 0.00 0.00 -0.53 0.00 -0.15 0.00 0.00 58.65 57.97 1k9m h GLN 151 Cb 0.04 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.61 1k9m h GLN 151 CO 0.00 0.00 1.07 0.00 -2.65 0.00 0.00 178.83 177.25 1k9m s ARG 153 N 3.03 2.98 0.26 0.00 0.52 -1.26 -0.96 118.95 123.51 1k9m s ARG 153 Ca 0.78 0.83 -0.19 0.00 -0.52 0.00 0.00 55.73 56.63 1k9m s ARG 153 Cb -0.41 -2.00 0.02 0.00 0.52 0.00 0.00 34.95 33.07 1k9m s ARG 153 CO 0.34 -1.04 0.65 0.00 0.02 0.00 0.00 175.30 175.28 1k9m s ALA 154 N -3.11 -1.02 -0.15 2.13 0.00 -1.06 -2.17 121.76 116.38 1k9m s ALA 154 Ca 0.58 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1k9m s ALA 154 Cb -0.13 0.90 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 1k9m s ALA 154 CO 0.54 -0.97 -0.15 0.99 0.00 0.00 0.00 175.76 176.18 1k9m s THR 155 N -3.93 2.80 0.26 0.00 2.01 -0.43 -1.79 115.64 114.57 1k9m s THR 155 Ca 0.13 -0.74 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 1k9m s THR 155 Cb -0.04 -2.18 -0.10 0.00 0.01 0.00 0.00 72.50 70.19 1k9m s THR 155 CO 0.05 0.52 1.43 -0.63 -0.69 0.00 0.00 174.62 175.31 1k9m s ILE 156 N 0.64 2.62 0.00 1.82 1.01 -0.34 -0.86 121.20 126.11 1k9m s ILE 156 Ca -0.08 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.11 1k9m s ILE 156 Cb -0.16 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 38.97 1k9m s ILE 156 CO 0.02 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.67 1k9m n GLY 157 N 2.01 1.27 3.93 6.18 0.00 0.25 -1.76 105.19 117.08 1k9m n GLY 157 Ca 0.06 -2.12 -0.28 0.00 0.00 0.00 0.00 46.02 43.68 1k9m n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k9m s VAL 158 N -1.55 5.33 0.42 1.61 -7.23 -1.26 -3.18 120.40 114.54 1k9m s VAL 158 Ca 0.00 -0.55 -0.26 0.00 -1.81 0.00 0.00 61.98 59.36 1k9m s VAL 158 Cb 0.00 -3.70 -0.09 0.00 0.56 0.00 0.00 36.38 33.15 1k9m s VAL 158 CO 0.00 -0.02 1.39 -0.69 -0.31 0.00 0.00 175.10 175.46 1k9m s VAL 159 N -1.68 2.29 1.12 1.32 1.01 -0.45 -0.05 120.40 123.96 1k9m s VAL 159 Ca 0.35 0.26 -0.15 0.00 0.00 0.00 0.00 61.98 62.44 1k9m s VAL 159 Cb -0.12 -3.16 0.25 0.00 0.00 0.00 0.00 36.38 33.36 1k9m s VAL 159 CO 0.28 0.04 1.08 -0.83 0.00 0.00 0.00 175.10 175.67 1k9m s GLY 160 N -0.54 1.55 0.00 4.51 0.00 -0.81 -2.33 107.32 109.71 1k9m s GLY 160 Ca 0.58 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.74 1k9m s GLY 160 CO 0.54 0.19 0.00 0.61 0.00 0.00 0.00 173.10 174.44 1k9m n GLY 161 N -0.60 0.69 3.24 0.20 0.00 -1.26 -2.21 105.19 105.25 1k9m n GLY 161 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1k9m n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k9m n GLY 162 N -2.61 -3.10 2.23 -0.02 0.00 -1.26 -3.15 105.19 97.28 1k9m n GLY 162 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 46.02 45.51 1k9m n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k9m n GLY 163 N 2.49 0.49 0.22 -0.02 0.00 -1.26 -4.88 105.19 102.24 1k9m n GLY 163 Ca 0.05 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 1k9m n GLY 163 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1k9m h ARG 164 N 0.54 0.72 0.00 1.61 2.43 -1.88 -2.45 114.38 115.34 1k9m h ARG 164 Ca -0.03 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1k9m h ARG 164 Cb 0.28 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1k9m h ARG 164 CO 0.04 0.51 -0.01 1.15 -1.51 0.00 0.00 179.97 180.16 1k9m h THR 165 N 0.71 0.22 -0.00 0.20 2.02 -1.91 -3.21 112.91 110.95 1k9m h THR 165 Ca 0.19 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.29 1k9m h THR 165 Cb -0.03 1.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1k9m h THR 165 CO -0.04 0.01 0.00 0.44 0.37 0.00 0.00 175.52 176.31 1k9m h ASP 166 N 0.00 0.00 -3.85 4.18 3.32 -1.84 -3.41 116.42 114.81 1k9m h ASP 166 Ca -0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 1k9m h ASP 166 Cb 0.06 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.45 1k9m h ASP 166 CO 0.00 0.00 -0.45 -0.75 -1.72 0.00 0.00 179.24 176.32 1k9m s LYS 167 N -4.99 3.97 0.66 3.56 2.20 -1.21 -5.08 119.74 118.84 1k9m s LYS 167 Ca -0.05 -0.23 -0.17 0.00 -0.36 0.00 0.00 55.97 55.15 1k9m s LYS 167 Cb 0.17 -3.66 -0.00 0.00 -1.51 0.00 0.00 37.83 32.83 1k9m s LYS 167 CO 0.65 -0.20 1.27 -1.25 -0.36 0.00 0.00 175.35 175.46 1k9m s PRO 168 N 1.82 2.49 0.45 4.03 0.04 -1.26 -4.90 135.00 137.67 1k9m s PRO 168 Ca 0.09 1.99 0.23 0.00 0.04 0.00 0.00 61.00 63.34 1k9m s PRO 168 Cb -0.16 -1.85 1.07 0.00 0.04 0.00 0.00 34.50 33.60 1k9m s PRO 168 CO 0.11 -1.62 1.92 0.74 0.04 0.00 0.00 177.00 178.18 1k9m h PHE 169 N 0.40 0.00 0.00 0.56 -1.00 -1.98 -3.46 116.94 111.46 1k9m h PHE 169 Ca -0.50 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.28 1k9m h PHE 169 Cb 1.33 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.89 1k9m h PHE 169 CO 0.43 0.23 0.00 0.28 -1.61 0.00 0.00 178.31 177.64 1k9m n VAL 170 N -3.65 0.00 -4.05 -0.55 0.31 -1.26 -4.69 118.33 104.44 1k9m n VAL 170 Ca -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.20 1k9m n VAL 170 Cb 0.36 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.17 1k9m n VAL 170 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1k9m s LYS 171 N 0.00 0.50 0.21 5.55 -2.85 -1.26 -5.04 119.74 116.84 1k9m s LYS 171 Ca 0.00 -0.78 -0.16 0.00 -1.00 0.00 0.00 55.97 54.03 1k9m s LYS 171 Cb 0.00 -0.18 0.21 0.00 -2.06 0.00 0.00 37.83 35.80 1k9m s LYS 171 CO 0.00 0.02 1.61 0.00 0.10 0.00 0.00 175.35 177.08 1k9m h ALA 172 N 4.38 0.28 -0.96 0.59 0.00 -2.01 -1.01 119.26 120.53 1k9m h ALA 172 Ca -0.35 0.22 0.28 0.00 0.00 0.00 0.00 54.91 55.07 1k9m h ALA 172 Cb 1.20 0.59 -0.17 0.00 0.00 0.00 0.00 17.79 19.40 1k9m h ALA 172 CO 0.43 -0.50 0.17 0.78 0.00 0.00 0.00 179.25 180.13 1k9m h GLY 173 N -0.06 1.44 1.24 0.00 0.00 -1.96 0.27 103.07 104.01 1k9m h GLY 173 Ca 0.29 0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.57 1k9m h GLY 173 CO -0.67 -0.52 -0.12 3.43 0.00 0.00 0.00 176.54 178.66 1k9m h ASN 174 N 0.06 0.89 -0.22 0.19 2.35 -1.46 -2.73 115.58 114.67 1k9m h ASN 174 Ca 0.62 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 56.09 1k9m h ASN 174 Cb 1.36 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 1k9m h ASN 174 CO -0.82 1.02 0.11 0.50 -1.65 0.00 0.00 177.43 176.59 1k9m h LYS 175 N 0.80 0.31 -0.64 0.81 3.11 -0.50 -2.71 116.57 117.75 1k9m h LYS 175 Ca 0.13 -0.04 0.07 0.00 -2.81 0.00 0.00 60.65 58.00 1k9m h LYS 175 Cb 0.64 -0.06 -0.10 0.00 -1.00 0.00 0.00 32.23 31.71 1k9m h LYS 175 CO 0.04 0.30 -0.56 1.25 -2.81 0.00 0.00 179.45 177.68 1k9m h HIS 176 N 0.24 -1.73 -0.64 1.91 2.76 -0.91 0.30 115.15 117.09 1k9m h HIS 176 Ca 0.08 0.10 0.02 0.00 -2.20 0.00 0.00 60.37 58.37 1k9m h HIS 176 Cb 0.09 0.84 -0.03 0.00 1.55 0.00 0.00 27.41 29.85 1k9m h HIS 176 CO -0.03 -0.44 0.42 0.45 -1.30 0.00 0.00 177.93 177.03 1k9m h HIS 177 N -0.24 0.76 0.04 5.26 3.86 -1.40 -0.32 115.15 123.11 1k9m h HIS 177 Ca 0.12 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1k9m h HIS 177 Cb 0.53 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1k9m h HIS 177 CO -0.83 0.45 -0.02 -0.22 0.86 0.00 0.00 177.93 178.17 1k9m h LYS 178 N 0.79 -0.06 -0.90 2.45 3.64 -0.81 -3.23 116.57 118.45 1k9m h LYS 178 Ca 0.25 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.77 1k9m h LYS 178 Cb 0.01 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.78 1k9m h LYS 178 CO -0.06 0.39 0.58 1.98 -2.27 0.00 0.00 179.45 180.07 1k9m h MET 179 N -0.53 0.73 0.00 1.90 4.05 0.00 0.57 114.93 121.65 1k9m h MET 179 Ca -0.01 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1k9m h MET 179 Cb 0.48 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 1k9m h MET 179 CO 0.01 0.48 0.00 1.17 0.23 0.00 0.00 176.91 178.80 1k9m n LYS 180 N -4.57 0.16 -0.51 0.39 4.81 -0.17 -1.14 118.16 117.12 1k9m n LYS 180 Ca 0.17 0.55 0.10 0.00 -0.87 0.00 0.00 58.31 58.26 1k9m n LYS 180 Cb 0.43 -1.91 0.33 0.00 0.02 0.00 0.00 35.03 33.91 1k9m n LYS 180 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1k9m n ALA 181 N -1.77 2.82 -2.31 3.14 0.00 0.19 -4.76 120.51 117.82 1k9m n ALA 181 Ca 0.00 -1.51 -0.17 0.00 0.00 0.00 0.00 53.44 51.76 1k9m n ALA 181 Cb 0.11 -0.94 -0.10 0.00 0.00 0.00 0.00 19.45 18.52 1k9m n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1k9m s ARG 182 N -1.58 1.23 -1.41 0.00 1.81 -0.30 -4.72 118.95 113.99 1k9m s ARG 182 Ca 0.49 -1.54 -0.14 0.00 -1.72 0.00 0.00 55.73 52.81 1k9m s ARG 182 Cb 0.30 -0.94 0.06 0.00 -0.45 0.00 0.00 34.95 33.92 1k9m s ARG 182 CO 0.26 0.14 2.08 0.41 -0.68 0.00 0.00 175.30 177.52 1k9m n GLY 183 N -0.31 4.04 3.24 -3.53 0.00 -1.26 -4.62 105.19 102.75 1k9m n GLY 183 Ca -0.09 -1.61 -0.13 0.00 0.00 0.00 0.00 46.02 44.19 1k9m n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k9m s THR 184 N 3.16 0.05 -0.19 2.61 2.01 -1.26 -4.79 115.64 117.23 1k9m s THR 184 Ca 0.48 -0.39 -0.15 0.00 0.31 0.00 0.00 61.69 61.93 1k9m s THR 184 Cb 0.11 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 1k9m s THR 184 CO -0.05 -0.22 0.36 -0.75 -0.69 0.00 0.00 174.62 173.28 1k9m s LYS 185 N -1.09 4.20 -0.20 4.92 2.47 -1.26 -4.89 119.74 123.89 1k9m s LYS 185 Ca -0.11 0.16 -0.17 0.00 -1.56 0.00 0.00 55.97 54.29 1k9m s LYS 185 Cb -0.05 -3.50 0.06 0.00 -1.46 0.00 0.00 37.83 32.88 1k9m s LYS 185 CO 0.04 0.05 0.53 -0.46 0.16 0.00 0.00 175.35 175.67 1k9m s TRP 186 N 1.04 -0.65 0.16 4.03 -0.00 -1.26 -4.71 118.94 117.55 1k9m s TRP 186 Ca 0.18 1.49 -0.02 0.00 -0.00 0.00 0.00 56.10 57.75 1k9m s TRP 186 Cb -0.14 0.26 0.04 0.00 -0.00 0.00 0.00 33.47 33.63 1k9m s TRP 186 CO 0.07 -0.32 0.22 -0.35 -0.00 0.00 0.00 176.95 176.57 1k9m n PRO 187 N 3.23 -0.11 -4.33 5.86 -0.04 -1.26 -5.09 135.00 133.27 1k9m n PRO 187 Ca -0.16 -0.38 -0.33 0.00 -0.04 0.00 0.00 63.50 62.59 1k9m n PRO 187 Cb 0.56 -0.22 -0.16 0.00 -0.04 0.00 0.00 33.50 33.65 1k9m n PRO 187 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1k9m s ASN 188 N -1.82 3.39 -0.11 3.54 0.01 -1.26 -5.09 114.94 113.60 1k9m s ASN 188 Ca 0.13 -0.56 -0.16 0.00 -0.71 0.00 0.00 52.86 51.55 1k9m s ASN 188 Cb -0.00 -1.52 -0.05 0.00 0.41 0.00 0.00 41.25 40.09 1k9m s ASN 188 CO 0.09 0.04 0.41 -0.69 -1.51 0.00 0.00 177.10 175.43 1k9m s VAL 189 N 1.08 5.19 0.18 1.60 1.01 -1.26 -5.04 120.40 123.17 1k9m s VAL 189 Ca -0.00 0.81 -0.31 0.00 0.00 0.00 0.00 61.98 62.48 1k9m s VAL 189 Cb -0.14 -3.74 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 1k9m s VAL 189 CO -0.06 0.40 1.39 -0.13 0.00 0.00 0.00 175.10 176.69 1k9m s ARG 190 N 0.22 4.32 0.25 2.72 0.52 -1.26 -4.92 118.95 120.80 1k9m s ARG 190 Ca 0.23 2.15 -0.04 0.00 -0.52 0.00 0.00 55.73 57.54 1k9m s ARG 190 Cb -0.15 -3.19 0.50 0.00 0.52 0.00 0.00 34.95 32.64 1k9m s ARG 190 CO 0.09 -0.38 1.68 0.78 0.02 0.00 0.00 175.30 177.49 1k9m h GLY 191 N 5.84 1.07 0.87 -3.53 0.00 -1.96 0.20 103.07 105.56 1k9m h GLY 191 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1k9m h GLY 191 CO 0.81 -0.23 0.00 -0.62 0.00 0.00 0.00 176.54 176.50 1k9m n VAL 192 N -5.18 0.00 0.83 4.60 0.31 -1.26 -1.05 118.33 116.58 1k9m n VAL 192 Ca 0.15 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.57 1k9m n VAL 192 Cb 0.50 -0.73 -0.01 0.00 -0.91 0.00 0.00 33.84 32.69 1k9m n VAL 192 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k9m n ALA 193 N -0.93 3.41 -2.68 3.52 0.00 0.69 -4.58 120.51 119.94 1k9m n ALA 193 Ca 0.09 -0.58 -0.22 0.00 0.00 0.00 0.00 53.44 52.73 1k9m n ALA 193 Cb 0.04 -0.65 0.10 0.00 0.00 0.00 0.00 19.45 18.94 1k9m n ALA 193 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1k9m n MET 194 N -0.18 0.08 -2.94 0.00 2.81 -0.22 -4.99 117.12 111.68 1k9m n MET 194 Ca 0.07 -2.62 -0.27 0.00 -1.81 0.00 0.00 57.70 53.07 1k9m n MET 194 Cb 0.38 -0.54 -0.01 0.00 -0.71 0.00 0.00 33.22 32.34 1k9m n MET 194 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1k9m s ASN 195 N -4.71 6.33 0.17 7.83 0.01 -1.26 -1.92 114.94 121.40 1k9m s ASN 195 Ca 0.61 0.82 -0.16 0.00 -0.71 0.00 0.00 52.86 53.41 1k9m s ASN 195 Cb -0.04 -2.19 0.12 0.00 0.41 0.00 0.00 41.25 39.55 1k9m s ASN 195 CO 0.40 -0.43 1.66 0.00 -1.51 0.00 0.00 177.10 177.22 1k9m h ALA 196 N 0.72 0.29 -0.65 0.60 0.00 -1.82 -0.25 119.26 118.15 1k9m h ALA 196 Ca -0.48 0.17 0.19 0.00 0.00 0.00 0.00 54.91 54.80 1k9m h ALA 196 Cb 1.20 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 1k9m h ALA 196 CO 0.63 -0.45 0.59 -0.24 0.00 0.00 0.00 179.25 179.78 1k9m h VAL 197 N -0.00 0.40 0.00 0.00 3.04 -1.94 -2.51 116.25 115.23 1k9m h VAL 197 Ca 0.21 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.90 1k9m h VAL 197 Cb 0.33 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 30.16 1k9m h VAL 197 CO -0.46 0.00 -0.94 0.47 -1.01 0.00 0.00 177.57 175.63 1k9m n ASP 198 N -3.87 0.94 -3.64 3.17 8.00 -0.12 -1.76 116.55 119.27 1k9m n ASP 198 Ca 0.13 -0.91 -0.04 0.00 0.71 0.00 0.00 54.79 54.68 1k9m n ASP 198 Cb 0.84 0.91 -0.07 0.00 -0.02 0.00 0.00 41.12 42.78 1k9m n ASP 198 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1k9m s HIS 199 N -3.00 -0.52 0.57 1.24 2.46 -0.95 -4.53 115.29 110.56 1k9m s HIS 199 Ca 0.08 1.10 0.34 0.00 0.47 0.00 0.00 55.06 57.05 1k9m s HIS 199 Cb 0.16 0.35 1.42 0.00 -0.13 0.00 0.00 32.58 34.38 1k9m s HIS 199 CO 0.85 -0.26 1.68 -1.00 -2.47 0.00 0.00 174.74 173.55 1k9m h PRO 200 N 5.53 0.00 -0.02 2.88 0.13 -1.85 1.05 132.00 139.73 1k9m h PRO 200 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1k9m h PRO 200 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1k9m h PRO 200 CO 0.18 0.00 -0.08 1.19 -0.23 0.00 0.00 178.00 179.06 1k9m n PHE 201 N -3.81 0.00 -1.34 1.56 0.99 -1.26 -4.51 117.46 109.07 1k9m n PHE 201 Ca 0.23 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.40 1k9m n PHE 201 Cb 1.27 -0.03 0.16 0.00 -1.00 0.00 0.00 39.48 39.89 1k9m n PHE 201 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1k9m s GLY 202 N -2.13 1.57 0.00 1.37 0.00 0.36 -4.23 107.32 104.26 1k9m s GLY 202 Ca 0.33 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1k9m s GLY 202 CO 0.38 0.11 0.00 0.61 0.00 0.00 0.00 173.10 174.20 1k9m n GLY 203 N -1.64 -0.94 0.00 0.20 0.00 -0.81 -4.12 105.19 97.87 1k9m n GLY 203 Ca 0.06 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1k9m n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k9m n GLY 204 N -1.05 2.61 0.19 -0.02 0.00 -1.26 -4.72 105.19 100.94 1k9m n GLY 204 Ca 0.00 -1.91 0.12 0.00 0.00 0.00 0.00 46.02 44.23 1k9m n GLY 204 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1k9m h GLY 205 N 0.00 0.00 -1.87 -0.02 0.00 -1.99 -3.46 103.07 95.73 1k9m h GLY 205 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 1k9m h GLY 205 CO 0.00 0.00 -0.55 1.09 0.00 0.00 0.00 176.54 177.08 1k9m s ARG 206 N -3.23 1.67 -0.29 4.80 1.70 -1.26 -5.13 118.95 117.20 1k9m s ARG 206 Ca 0.06 -1.96 -0.16 0.00 -0.47 0.00 0.00 55.73 53.20 1k9m s ARG 206 Cb 0.06 -0.26 -0.03 0.00 -0.57 0.00 0.00 34.95 34.15 1k9m s ARG 206 CO 0.69 -0.44 0.40 -0.65 -1.08 0.00 0.00 175.30 174.23 1k9m s GLN 207 N -3.80 3.88 -0.26 3.89 -0.21 -1.26 -4.95 119.66 116.96 1k9m s GLN 207 Ca 0.33 -0.05 -0.27 0.00 0.02 0.00 0.00 55.36 55.40 1k9m s GLN 207 Cb 0.05 -3.70 0.16 0.00 1.00 0.00 0.00 33.01 30.52 1k9m s GLN 207 CO 0.17 -0.38 1.22 -3.38 -2.12 0.00 0.00 175.29 170.81 1k9m s HIS 208 N 2.13 -0.22 0.70 0.91 -3.43 -1.26 -5.12 115.29 108.99 1k9m s HIS 208 Ca 0.15 0.47 -0.16 0.00 -0.80 0.00 0.00 55.06 54.73 1k9m s HIS 208 Cb -0.16 0.45 0.02 0.00 -1.43 0.00 0.00 32.58 31.46 1k9m s HIS 208 CO 0.11 -0.15 1.19 -1.25 -2.00 0.00 0.00 174.74 172.64 1k9m s PRO 209 N -0.45 2.39 -0.05 -0.38 0.04 -1.26 -4.89 135.00 130.40 1k9m s PRO 209 Ca 0.05 1.71 -0.19 0.00 0.04 0.00 0.00 61.00 62.60 1k9m s PRO 209 Cb -0.03 -1.87 -0.14 0.00 0.04 0.00 0.00 34.50 32.50 1k9m s PRO 209 CO -0.08 -1.64 0.81 0.78 0.04 0.00 0.00 177.00 176.92 1k9m h GLY 210 N -0.05 -0.30 0.00 0.56 0.00 -1.80 -3.47 103.07 98.02 1k9m h GLY 210 Ca -0.48 0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1k9m h GLY 210 CO 0.51 -0.11 0.00 0.28 0.00 0.00 0.00 176.54 177.22 1k9m n LYS 211 N -4.97 1.99 -2.46 4.80 5.02 -1.26 -5.09 118.16 116.18 1k9m n LYS 211 Ca -0.07 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.88 1k9m n LYS 211 Cb 0.25 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.23 1k9m n LYS 211 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1k9m s PRO 212 N -0.79 3.75 0.41 1.97 0.04 -1.26 -4.97 135.00 134.16 1k9m s PRO 212 Ca 0.00 1.29 0.27 0.00 0.04 0.00 0.00 61.00 62.60 1k9m s PRO 212 Cb 0.00 -2.09 0.82 0.00 0.04 0.00 0.00 34.50 33.27 1k9m s PRO 212 CO 0.00 -0.46 1.77 0.87 0.04 0.00 0.00 177.00 179.22 1k9m h LYS 213 N 1.34 0.00 -6.22 4.56 1.57 -1.94 -3.44 116.57 112.43 1k9m h LYS 213 Ca -0.49 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.73 1k9m h LYS 213 Cb 1.21 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.48 1k9m h LYS 213 CO 0.59 0.00 0.51 -1.12 -0.57 0.00 0.00 179.45 178.86 1k9m s SER 214 N -5.48 7.21 0.00 0.86 0.01 -1.26 -0.63 113.70 114.41 1k9m s SER 214 Ca 0.06 1.48 0.06 0.00 1.31 0.00 0.00 55.95 58.86 1k9m s SER 214 Cb 0.08 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 1k9m s SER 214 CO 0.58 -0.41 -0.18 -0.51 0.41 0.00 0.00 173.24 173.13 1k9m s ILE 215 N 1.90 2.80 0.64 1.44 1.10 -0.22 -4.96 121.20 123.90 1k9m s ILE 215 Ca 0.47 -1.01 -0.18 0.00 -0.51 0.00 0.00 60.65 59.42 1k9m s ILE 215 Cb -0.18 -2.12 -0.01 0.00 0.15 0.00 0.00 42.46 40.29 1k9m s ILE 215 CO 0.18 0.46 1.24 -0.55 -2.11 0.00 0.00 174.94 174.16 1k9m s SER 216 N -1.09 4.77 0.52 4.50 0.15 -1.26 -0.85 113.70 120.43 1k9m s SER 216 Ca 0.13 2.47 0.19 0.00 0.70 0.00 0.00 55.95 59.44 1k9m s SER 216 Cb -0.10 -2.60 1.34 0.00 -1.71 0.00 0.00 66.02 62.94 1k9m s SER 216 CO 0.03 -1.89 2.13 0.03 1.20 0.00 0.00 173.24 174.74 1k9m h ARG 217 N 0.51 0.00 -0.01 5.44 2.47 -1.96 -2.24 114.38 118.59 1k9m h ARG 217 Ca -0.50 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 1k9m h ARG 217 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.63 1k9m h ARG 217 CO 0.53 0.05 0.00 0.09 0.56 0.00 0.00 179.97 181.20 1k9m n ASN 218 N -4.27 0.54 -4.75 7.04 3.02 -1.26 -4.90 115.26 110.68 1k9m n ASN 218 Ca -0.03 -1.22 -0.42 0.00 -0.03 0.00 0.00 54.58 52.89 1k9m n ASN 218 Cb 0.13 -0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.28 1k9m n ASN 218 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k9m s ALA 219 N -1.99 3.77 0.64 5.41 0.00 -0.84 -4.98 121.76 123.77 1k9m s ALA 219 Ca 0.43 1.60 -0.12 0.00 0.00 0.00 0.00 51.96 53.86 1k9m s ALA 219 Cb 0.21 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 1k9m s ALA 219 CO 0.34 -1.01 1.05 -1.25 0.00 0.00 0.00 175.76 174.89 1k9m s PRO 220 N -0.45 3.22 0.44 0.00 0.04 -1.26 -4.66 135.00 132.34 1k9m s PRO 220 Ca 0.64 0.98 -0.25 0.00 0.04 0.00 0.00 61.00 62.41 1k9m s PRO 220 Cb -0.48 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 31.95 1k9m s PRO 220 CO 0.48 -0.87 1.37 -1.25 0.04 0.00 0.00 177.00 176.76 1k9m s PRO 221 N -4.76 3.73 0.00 0.56 0.04 -1.26 -1.37 135.00 131.94 1k9m s PRO 221 Ca 0.59 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.91 1k9m s PRO 221 Cb -0.14 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1k9m s PRO 221 CO 0.49 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 177.20 1k9m n GLY 222 N 0.62 2.49 0.00 0.56 0.00 -1.26 -4.77 105.19 102.82 1k9m n GLY 222 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1k9m n GLY 222 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1k9m n ARG 223 N -0.68 2.20 -2.55 1.61 0.63 -0.47 -4.75 116.66 112.65 1k9m n ARG 223 Ca 0.00 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.52 1k9m n ARG 223 Cb 0.00 -0.78 -0.03 0.00 0.45 0.00 0.00 32.46 32.10 1k9m n ARG 223 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1k9m s LYS 224 N -1.38 3.39 0.27 -0.14 2.20 -0.92 -4.88 119.74 118.28 1k9m s LYS 224 Ca 0.00 -0.68 -0.05 0.00 -0.36 0.00 0.00 55.97 54.88 1k9m s LYS 224 Cb 0.00 -4.78 -0.02 0.00 -1.51 0.00 0.00 37.83 31.52 1k9m s LYS 224 CO 0.00 -2.18 0.35 0.14 -0.36 0.00 0.00 175.35 173.30 1k9m s VAL 225 N 5.37 0.00 0.00 4.02 -7.23 -1.26 -5.01 120.40 116.29 1k9m s VAL 225 Ca 0.41 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 1k9m s VAL 225 Cb -0.04 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.46 1k9m s VAL 225 CO 0.02 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.42 1k9m n GLY 226 N -0.42 0.38 3.46 2.32 0.00 -1.26 -4.54 105.19 105.13 1k9m n GLY 226 Ca 0.01 -0.90 -0.44 0.00 0.00 0.00 0.00 46.02 44.69 1k9m n GLY 226 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k9m s ASP 227 N -4.00 6.25 -0.01 1.61 1.01 0.20 -4.99 116.67 116.73 1k9m s ASP 227 Ca 0.00 -0.82 -0.30 0.00 0.71 0.00 0.00 52.55 52.14 1k9m s ASP 227 Cb 0.00 -2.34 -0.04 0.00 1.01 0.00 0.00 42.92 41.55 1k9m s ASP 227 CO 0.00 -1.03 1.16 -0.63 0.21 0.00 0.00 175.17 174.88 1k9m s ILE 228 N 3.07 4.28 -1.29 0.77 1.01 -1.26 -1.06 121.20 126.72 1k9m s ILE 228 Ca 0.19 1.62 -0.12 0.00 0.00 0.00 0.00 60.65 62.34 1k9m s ILE 228 Cb -0.18 -4.04 0.12 0.00 0.01 0.00 0.00 42.46 38.37 1k9m s ILE 228 CO 0.13 0.06 0.30 0.00 0.00 0.00 0.00 174.94 175.43 1k9m n ALA 229 N 4.61 -1.13 -1.74 9.38 0.00 -0.03 -4.77 120.51 126.83 1k9m n ALA 229 Ca 0.10 -0.20 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 1k9m n ALA 229 Cb 0.47 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 1k9m n ALA 229 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1k9m s SER 230 N -3.03 6.39 0.33 0.00 1.04 -1.25 -4.86 113.70 112.32 1k9m s SER 230 Ca 0.43 2.86 0.24 0.00 0.48 0.00 0.00 55.95 59.95 1k9m s SER 230 Cb -0.25 -2.60 0.43 0.00 0.10 0.00 0.00 66.02 63.70 1k9m s SER 230 CO 0.74 -0.96 1.57 0.11 0.98 0.00 0.00 173.24 175.67 1k9m h LYS 231 N 6.78 0.00 -1.65 4.02 1.57 -1.98 -3.47 116.57 121.84 1k9m h LYS 231 Ca -0.43 0.00 0.29 0.00 -1.87 0.00 0.00 60.65 58.64 1k9m h LYS 231 Cb 1.20 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.40 1k9m h LYS 231 CO 0.95 0.00 0.75 -0.98 -0.57 0.00 0.00 179.45 179.60 1k9m s ARG 232 N -3.20 0.58 0.31 3.15 1.70 -1.26 -5.19 118.95 115.04 1k9m s ARG 232 Ca 0.07 -0.32 0.01 0.00 -0.47 0.00 0.00 55.73 55.03 1k9m s ARG 232 Cb 0.08 0.20 -0.02 0.00 -0.57 0.00 0.00 34.95 34.64 1k9m s ARG 232 CO 0.67 -0.26 0.35 0.95 -1.08 0.00 0.00 175.30 175.92 1k9m s THR 233 N -2.62 0.00 0.00 4.99 -4.23 -1.26 -5.11 115.64 107.40 1k9m s THR 233 Ca 0.13 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.84 1k9m s THR 233 Cb 0.03 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1k9m s THR 233 CO -0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1k9m n GLY 234 N -0.54 -0.25 0.00 3.99 0.00 -1.26 -4.69 105.19 102.44 1k9m n GLY 234 Ca 0.04 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1k9m n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k9m n ARG 235 N 0.00 2.66 -1.65 1.61 1.74 -1.26 -5.10 116.66 114.66 1k9m n ARG 235 Ca 0.00 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 1k9m n ARG 235 Cb 0.00 -0.86 0.04 0.00 -1.02 0.00 0.00 32.46 30.62 1k9m n ARG 235 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k9m n GLY 236 N 2.22 0.02 3.07 -0.13 0.00 -1.26 -5.29 105.19 103.82 1k9m n GLY 236 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1k9m n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93