#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1h n ALA 2 N 0.00 0.00 -1.80 -5.12 0.00 -1.26 -5.16 120.51 107.17 1j1h n ALA 2 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1j1h n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1j1h n ALA 2 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j1h s PRO 3 N -1.71 3.82 0.12 0.00 0.04 -1.26 -5.01 135.00 131.00 1j1h s PRO 3 Ca 0.00 1.02 -0.31 0.00 0.04 0.00 0.00 61.00 61.76 1j1h s PRO 3 Cb 0.00 -2.11 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 1j1h s PRO 3 CO 0.00 -0.38 1.30 0.14 0.04 0.00 0.00 177.00 178.10 1j1h s VAL 4 N -2.56 3.52 0.53 -0.36 -7.23 -1.26 -4.80 120.40 108.24 1j1h s VAL 4 Ca 0.60 1.14 0.00 0.00 -1.81 0.00 0.00 61.98 61.91 1j1h s VAL 4 Cb -0.11 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.10 1j1h s VAL 4 CO 0.32 0.11 0.00 0.18 -0.31 0.00 0.00 175.10 175.40 1j1h n LEU 5 N 3.54 -1.48 -4.02 1.32 4.77 -1.25 -4.26 117.00 115.61 1j1h n LEU 5 Ca 0.09 2.53 -0.08 0.00 -0.03 0.00 0.00 56.01 58.51 1j1h n LEU 5 Cb 0.44 -3.02 -0.11 0.00 -2.33 0.00 0.00 43.42 38.40 1j1h n LEU 5 CO 0.57 -0.74 -0.36 -0.70 -1.33 0.00 0.00 177.39 174.83 1j1h s GLU 6 N -5.26 0.43 -1.23 3.23 2.12 -1.26 -4.32 118.70 112.41 1j1h s GLU 6 Ca 0.00 -0.84 -0.16 0.00 0.36 0.00 0.00 54.97 54.34 1j1h s GLU 6 Cb 0.00 0.13 0.13 0.00 0.26 0.00 0.00 34.13 34.65 1j1h s GLU 6 CO 0.00 -0.07 1.53 0.54 -0.54 0.00 0.00 175.26 176.72 1j1h s ASN 7 N -2.00 6.96 0.01 -1.70 4.22 0.14 -4.50 114.94 118.07 1j1h s ASN 7 Ca -0.07 -2.73 -0.19 0.00 -2.14 0.00 0.00 52.86 47.73 1j1h s ASN 7 Cb -0.03 -2.47 -0.29 0.00 1.28 0.00 0.00 41.25 39.74 1j1h s ASN 7 CO -0.04 -0.93 1.03 -0.09 -2.04 0.00 0.00 177.10 175.03 1j1h h ARG 8 N 7.43 0.46 0.00 3.55 2.43 -1.78 -3.33 114.38 123.13 1j1h h ARG 8 Ca 0.35 -0.63 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 1j1h h ARG 8 Cb 0.88 0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1j1h h ARG 8 CO 1.32 1.26 -0.02 -0.09 -1.51 0.00 0.00 179.97 180.93 1j1h h ARG 9 N -0.04 0.00 0.06 0.20 2.43 -1.88 -0.25 114.38 114.90 1j1h h ARG 9 Ca -0.15 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.73 1j1h h ARG 9 Cb 1.68 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.20 1j1h h ARG 9 CO 0.18 0.02 -1.62 0.00 -1.51 0.00 0.00 179.97 177.05 1j1h n ALA 10 N -2.52 0.83 0.14 2.80 0.00 -1.26 0.35 120.51 120.85 1j1h n ALA 10 Ca -0.03 -0.53 -0.01 0.00 0.00 0.00 0.00 53.44 52.87 1j1h n ALA 10 Cb 0.11 -0.62 0.20 0.00 0.00 0.00 0.00 19.45 19.13 1j1h n ALA 10 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1j1h h ARG 11 N -0.49 0.03 0.03 0.00 9.65 -1.67 -2.23 114.38 119.71 1j1h h ARG 11 Ca -0.39 -0.02 -0.36 0.00 -1.10 0.00 0.00 59.98 58.11 1j1h h ARG 11 Cb 1.66 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 30.19 1j1h h ARG 11 CO -0.07 0.60 -2.22 1.58 2.80 0.00 0.00 179.97 182.66 1j1h n HIS 12 N -3.87 0.49 -0.04 2.20 -0.00 -0.11 -4.79 115.22 109.11 1j1h n HIS 12 Ca -0.01 0.13 -0.05 0.00 0.46 0.00 0.00 57.72 58.24 1j1h n HIS 12 Cb 0.58 -1.07 -0.05 0.00 -0.12 0.00 0.00 29.99 29.32 1j1h n HIS 12 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1j1h n ASP 13 N -3.18 3.21 -3.64 0.26 9.92 0.16 -5.01 116.55 118.27 1j1h n ASP 13 Ca -0.35 -0.03 -0.11 0.00 -0.53 0.00 0.00 54.79 53.77 1j1h n ASP 13 Cb 1.05 0.26 -0.05 0.00 -0.64 0.00 0.00 41.12 41.74 1j1h n ASP 13 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1j1h s TYR 14 N -2.19 -0.25 -0.15 1.24 6.14 0.12 -4.92 117.35 117.35 1j1h s TYR 14 Ca -0.08 0.05 -0.25 0.00 0.64 0.00 0.00 57.07 57.43 1j1h s TYR 14 Cb 0.03 0.25 -0.02 0.00 0.42 0.00 0.00 41.96 42.64 1j1h s TYR 14 CO 0.26 -0.65 0.83 -2.00 0.64 0.00 0.00 175.55 174.62 1j1h s GLU 15 N -3.24 4.33 -0.19 4.97 2.12 -1.26 -4.23 118.70 121.20 1j1h s GLU 15 Ca -0.01 1.02 -0.27 0.00 0.36 0.00 0.00 54.97 56.08 1j1h s GLU 15 Cb 0.01 -3.55 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 1j1h s GLU 15 CO -0.08 -0.27 0.93 0.42 -0.54 0.00 0.00 175.26 175.72 1j1h s ILE 16 N 1.93 4.79 -0.07 -3.70 -1.09 -1.26 -4.46 121.20 117.35 1j1h s ILE 16 Ca 0.39 1.83 -0.12 0.00 -2.23 0.00 0.00 60.65 60.51 1j1h s ILE 16 Cb -0.17 -4.22 -0.08 0.00 -1.58 0.00 0.00 42.46 36.40 1j1h s ILE 16 CO 0.14 -0.05 0.47 0.25 -1.23 0.00 0.00 174.94 174.52 1j1h h LEU 17 N 8.73 -0.21 -9.36 2.97 5.85 -0.70 -3.47 115.31 119.13 1j1h h LEU 17 Ca -0.26 -0.15 -0.64 0.00 0.84 0.00 0.00 57.88 57.67 1j1h h LEU 17 Cb 1.11 0.05 -0.14 0.00 0.37 0.00 0.00 40.66 42.05 1j1h h LEU 17 CO 0.89 0.32 -0.71 -0.70 -0.34 0.00 0.00 178.44 177.90 1j1h s GLU 18 N -2.65 2.25 0.06 1.25 2.56 -1.17 -4.92 118.70 116.07 1j1h s GLU 18 Ca -0.07 -1.04 0.01 0.00 0.00 0.00 0.00 54.97 53.87 1j1h s GLU 18 Cb 0.00 -2.34 -0.03 0.00 2.00 0.00 0.00 34.13 33.76 1j1h s GLU 18 CO 0.24 0.49 -0.06 0.95 -0.56 0.00 0.00 175.26 176.32 1j1h s THR 19 N -1.40 0.48 0.04 -1.70 -4.23 -1.26 -0.80 115.64 106.77 1j1h s THR 19 Ca 0.24 -1.38 -0.03 0.00 -1.18 0.00 0.00 61.69 59.34 1j1h s THR 19 Cb -0.11 -0.96 -0.02 0.00 1.34 0.00 0.00 72.50 72.75 1j1h s THR 19 CO 0.16 -0.61 0.04 -0.72 -0.54 0.00 0.00 174.62 172.95 1j1h s TYR 20 N -2.30 0.32 -0.22 3.99 -0.85 -1.09 -4.52 117.35 112.68 1j1h s TYR 20 Ca -0.03 -0.73 0.02 0.00 -0.52 0.00 0.00 57.07 55.81 1j1h s TYR 20 Cb -0.04 -0.23 0.05 0.00 0.38 0.00 0.00 41.96 42.12 1j1h s TYR 20 CO -0.02 -0.36 -0.12 -2.00 -1.52 0.00 0.00 175.55 171.52 1j1h s GLU 21 N -3.06 2.27 0.37 -3.49 2.12 -1.26 -1.64 118.70 114.01 1j1h s GLU 21 Ca -0.01 -1.06 0.08 0.00 0.36 0.00 0.00 54.97 54.34 1j1h s GLU 21 Cb 0.02 -2.65 -0.04 0.00 0.26 0.00 0.00 34.13 31.71 1j1h s GLU 21 CO -0.07 -0.46 0.17 0.00 -0.54 0.00 0.00 175.26 174.37 1j1h s ALA 22 N 1.25 3.57 -0.32 6.30 0.00 -0.58 -4.69 121.76 127.30 1j1h s ALA 22 Ca -0.04 -1.93 0.02 0.00 0.00 0.00 0.00 51.96 50.02 1j1h s ALA 22 Cb -0.17 -0.64 0.09 0.00 0.00 0.00 0.00 23.12 22.40 1j1h s ALA 22 CO -0.08 -0.05 0.04 0.20 0.00 0.00 0.00 175.76 175.87 1j1h s GLY 23 N -3.89 1.65 -0.32 0.00 0.00 -0.47 -1.58 107.32 102.70 1j1h s GLY 23 Ca 0.40 -2.17 -0.14 0.00 0.00 0.00 0.00 44.72 42.81 1j1h s GLY 23 CO 0.23 1.09 0.33 -0.42 0.00 0.00 0.00 173.10 174.32 1j1h s ILE 24 N 1.14 5.20 0.44 0.90 1.09 -0.28 -3.89 121.20 125.80 1j1h s ILE 24 Ca 0.08 0.10 -0.02 0.00 -1.10 0.00 0.00 60.65 59.71 1j1h s ILE 24 Cb -0.19 -3.76 -0.02 0.00 -1.06 0.00 0.00 42.46 37.43 1j1h s ILE 24 CO -0.12 -0.01 0.69 0.00 -0.10 0.00 0.00 174.94 175.40 1j1h s ALA 25 N 1.95 3.58 0.17 9.38 0.00 -1.26 -1.31 121.76 134.27 1j1h s ALA 25 Ca 0.11 -0.79 0.11 0.00 0.00 0.00 0.00 51.96 51.38 1j1h s ALA 25 Cb -0.16 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 1j1h s ALA 25 CO 0.11 -0.28 -0.23 -0.48 0.00 0.00 0.00 175.76 174.88 1j1h s LEU 26 N -4.57 2.41 0.00 0.00 2.34 -1.26 -4.97 118.68 112.63 1j1h s LEU 26 Ca 0.46 -0.84 -0.06 0.00 0.06 0.00 0.00 54.13 53.74 1j1h s LEU 26 Cb -0.10 -1.10 0.09 0.00 -0.56 0.00 0.00 46.19 44.52 1j1h s LEU 26 CO 0.40 0.10 0.56 0.29 -1.06 0.00 0.00 176.35 176.64 1j1h n LYS 27 N 0.41 -0.48 -0.16 1.48 5.02 -1.26 -4.63 118.16 118.54 1j1h n LYS 27 Ca -0.14 -0.91 -0.09 0.00 -2.02 0.00 0.00 58.31 55.16 1j1h n LYS 27 Cb 0.56 -0.56 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1j1h n LYS 27 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1j1h h GLY 28 N -0.70 0.74 1.23 0.72 0.00 -2.01 -2.72 103.07 100.34 1j1h h GLY 28 Ca -0.18 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1j1h h GLY 28 CO 0.13 0.40 -0.41 -1.30 0.00 0.00 0.00 176.54 175.36 1j1h n THR 29 N -4.57 0.04 0.04 4.70 -2.24 -1.26 -3.56 114.28 107.44 1j1h n THR 29 Ca 0.01 -0.03 0.16 0.00 -2.27 0.00 0.00 64.05 61.91 1j1h n THR 29 Cb 0.17 0.05 0.64 0.00 -2.10 0.00 0.00 70.33 69.09 1j1h n THR 29 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1j1h h GLU 30 N 0.00 0.09 -0.11 -0.78 4.39 -1.82 0.39 114.58 116.74 1j1h h GLU 30 Ca 0.00 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 1j1h h GLU 30 Cb 0.53 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1j1h h GLU 30 CO 0.00 0.06 -0.54 0.28 -1.16 0.00 0.00 179.01 177.64 1j1h h VAL 31 N 0.09 1.35 -0.05 3.13 2.07 -1.65 1.13 116.25 122.32 1j1h h VAL 31 Ca 0.20 -1.83 -0.02 0.00 0.82 0.00 0.00 66.70 65.87 1j1h h VAL 31 Cb 0.67 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1j1h h VAL 31 CO -0.02 0.55 -0.05 0.11 0.02 0.00 0.00 177.57 178.18 1j1h h LYS 32 N 0.24 0.13 -0.17 1.57 1.57 -1.15 0.15 116.57 118.90 1j1h h LYS 32 Ca 0.00 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.58 1j1h h LYS 32 Cb 1.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1j1h h LYS 32 CO 0.09 0.58 -0.47 1.03 -0.57 0.00 0.00 179.45 180.11 1j1h h SER 33 N -0.32 0.48 0.03 0.86 0.87 -1.45 0.60 113.55 114.62 1j1h h SER 33 Ca 0.01 -0.23 -0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1j1h h SER 33 Cb 0.56 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1j1h h SER 33 CO 0.01 0.88 -0.02 0.25 -0.53 0.00 0.00 176.83 177.43 1j1h h LEU 34 N 0.36 -0.04 -1.74 2.23 7.12 0.13 3.44 115.31 126.81 1j1h h LEU 34 Ca 0.02 -0.62 -0.03 0.00 0.13 0.00 0.00 57.88 57.38 1j1h h LEU 34 Cb 0.97 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 41.10 1j1h h LEU 34 CO 0.08 0.63 -0.16 0.03 -0.13 0.00 0.00 178.44 178.90 1j1h h ARG 35 N -0.74 0.00 -0.50 1.25 3.08 -0.99 -0.66 114.38 115.81 1j1h h ARG 35 Ca -0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 1j1h h ARG 35 Cb 0.66 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.58 1j1h h ARG 35 CO 0.01 0.16 0.11 0.00 -1.07 0.00 0.00 179.97 179.18 1j1h n ALA 36 N -2.30 4.37 -2.63 0.04 0.00 0.21 -4.71 120.51 115.48 1j1h n ALA 36 Ca -0.02 -2.88 -0.34 0.00 0.00 0.00 0.00 53.44 50.21 1j1h n ALA 36 Cb 0.28 -0.92 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 1j1h n ALA 36 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1j1h s GLY 37 N -2.06 1.78 -0.23 0.00 0.00 1.14 -4.54 107.32 103.42 1j1h s GLY 37 Ca 0.48 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 44.31 1j1h s GLY 37 CO 0.05 -0.71 -0.15 1.25 0.00 0.00 0.00 173.10 173.54 1j1h s LYS 38 N -1.09 2.60 0.26 2.90 2.47 -1.18 -3.82 119.74 121.88 1j1h s LYS 38 Ca 0.15 -1.10 0.11 0.00 -1.56 0.00 0.00 55.97 53.56 1j1h s LYS 38 Cb -0.11 -2.76 -0.05 0.00 -1.46 0.00 0.00 37.83 33.45 1j1h s LYS 38 CO 0.05 -0.41 -0.10 0.08 0.16 0.00 0.00 175.35 175.13 1j1h s VAL 39 N 1.20 2.99 -0.50 4.02 1.01 -1.26 -1.06 120.40 126.79 1j1h s VAL 39 Ca -0.02 -2.10 -0.25 0.00 0.00 0.00 0.00 61.98 59.60 1j1h s VAL 39 Cb -0.17 -2.57 0.03 0.00 0.00 0.00 0.00 36.38 33.67 1j1h s VAL 39 CO -0.08 -0.36 0.96 -0.62 0.00 0.00 0.00 175.10 175.00 1j1h s ASP 40 N -3.50 6.44 -0.41 3.32 -1.08 -0.76 -4.80 116.67 115.87 1j1h s ASP 40 Ca 0.30 -0.05 -0.16 0.00 -0.52 0.00 0.00 52.55 52.12 1j1h s ASP 40 Cb -0.06 -2.46 0.02 0.00 -1.46 0.00 0.00 42.92 38.96 1j1h s ASP 40 CO 0.17 -1.16 0.34 -0.36 0.52 0.00 0.00 175.17 174.69 1j1h s PHE 41 N 3.94 3.22 0.00 -5.34 0.40 -1.26 -4.40 117.98 114.54 1j1h s PHE 41 Ca 0.35 -0.52 0.00 0.00 -0.60 0.00 0.00 56.93 56.16 1j1h s PHE 41 Cb -0.11 -2.69 0.00 0.00 0.51 0.00 0.00 43.02 40.73 1j1h s PHE 41 CO 0.24 -0.63 0.00 -2.37 0.70 0.00 0.00 175.22 173.16 1j1h n THR 42 N 5.25 0.00 -2.04 0.64 5.66 -1.26 -4.13 114.28 118.40 1j1h n THR 42 Ca -0.10 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.81 1j1h n THR 42 Cb 0.47 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.23 1j1h n THR 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j1h n GLY 43 N -1.55 -0.01 3.96 1.09 0.00 -1.26 -4.88 105.19 102.54 1j1h n GLY 43 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1j1h n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j1h s SER 44 N -1.94 5.12 0.08 1.61 0.01 -1.26 -4.84 113.70 112.47 1j1h s SER 44 Ca 0.00 -0.81 -0.10 0.00 1.31 0.00 0.00 55.95 56.35 1j1h s SER 44 Cb 0.00 -0.13 0.01 0.00 0.21 0.00 0.00 66.02 66.11 1j1h s SER 44 CO 0.00 -0.98 0.23 -0.36 0.41 0.00 0.00 173.24 172.54 1j1h s PHE 45 N -2.56 0.07 0.06 2.43 0.40 -1.26 -4.65 117.98 112.46 1j1h s PHE 45 Ca 0.51 -0.44 0.07 0.00 -0.60 0.00 0.00 56.93 56.47 1j1h s PHE 45 Cb -0.05 0.00 -0.03 0.00 0.51 0.00 0.00 43.02 43.45 1j1h s PHE 45 CO 0.31 -0.55 -0.18 0.00 0.70 0.00 0.00 175.22 175.50 1j1h s ALA 46 N -3.61 1.56 -0.15 5.36 0.00 -1.19 -0.36 121.76 123.37 1j1h s ALA 46 Ca 0.03 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 50.90 1j1h s ALA 46 Cb 0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 1j1h s ALA 46 CO -0.10 0.32 -0.04 0.50 0.00 0.00 0.00 175.76 176.44 1j1h s ARG 47 N -1.44 3.64 -0.38 0.00 6.06 -0.44 -4.83 118.95 121.56 1j1h s ARG 47 Ca 0.05 -0.52 -0.06 0.00 -2.50 0.00 0.00 55.73 52.70 1j1h s ARG 47 Cb -0.09 -2.90 0.07 0.00 0.06 0.00 0.00 34.95 32.09 1j1h s ARG 47 CO 0.02 0.27 0.17 -0.59 -2.50 0.00 0.00 175.30 172.67 1j1h s PHE 48 N 0.29 3.38 -0.37 5.12 -0.71 -1.26 -3.29 117.98 121.15 1j1h s PHE 48 Ca -0.03 -1.82 0.06 0.00 -1.04 0.00 0.00 56.93 54.10 1j1h s PHE 48 Cb -0.14 -2.76 0.52 0.00 -1.21 0.00 0.00 43.02 39.43 1j1h s PHE 48 CO 0.03 -0.85 1.57 -1.91 -1.34 0.00 0.00 175.22 172.71 1j1h n GLU 49 N 4.76 2.25 -4.41 1.99 0.00 -1.21 -4.90 120.64 119.12 1j1h n GLU 49 Ca -0.09 -3.32 -0.36 0.00 0.00 0.00 0.00 57.16 53.38 1j1h n GLU 49 Cb 0.43 -2.00 -0.09 0.00 0.00 0.00 0.00 31.44 29.79 1j1h n GLU 49 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1j1h n ASP 50 N -1.05 -0.50 0.02 4.31 5.68 -1.26 -4.30 116.55 119.44 1j1h n ASP 50 Ca 0.43 -1.25 0.00 0.00 -0.50 0.00 0.00 54.79 53.47 1j1h n ASP 50 Cb 1.07 -1.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.36 1j1h n ASP 50 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j1h n GLY 51 N -1.84 -0.50 3.00 6.12 0.00 -1.26 -4.96 105.19 105.75 1j1h n GLY 51 Ca -0.11 0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 1j1h n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j1h s GLU 52 N -2.00 0.95 -0.46 1.61 0.41 -1.26 -4.45 118.70 113.49 1j1h s GLU 52 Ca 0.00 -0.31 -0.01 0.00 -0.41 0.00 0.00 54.97 54.24 1j1h s GLU 52 Cb 0.00 -0.89 0.12 0.00 -1.78 0.00 0.00 34.13 31.58 1j1h s GLU 52 CO 0.00 0.12 0.24 -1.17 -0.49 0.00 0.00 175.26 173.96 1j1h s LEU 53 N 0.16 5.05 0.30 1.80 2.96 -1.25 -3.33 118.68 124.37 1j1h s LEU 53 Ca -0.03 -2.39 -0.06 0.00 -0.22 0.00 0.00 54.13 51.43 1j1h s LEU 53 Cb -0.08 -1.78 -0.06 0.00 0.50 0.00 0.00 46.19 44.78 1j1h s LEU 53 CO 0.00 -0.43 0.58 -0.31 -1.32 0.00 0.00 176.35 174.88 1j1h s TYR 54 N 0.61 3.47 -0.28 5.38 1.51 -1.21 -2.57 117.35 124.27 1j1h s TYR 54 Ca 0.12 0.73 -0.26 0.00 -1.01 0.00 0.00 57.07 56.65 1j1h s TYR 54 Cb -0.22 -2.17 0.01 0.00 -0.11 0.00 0.00 41.96 39.46 1j1h s TYR 54 CO -0.04 0.15 0.93 -0.48 -1.11 0.00 0.00 175.55 174.99 1j1h s LEU 55 N -3.49 4.05 -0.20 -1.29 0.05 -1.26 -1.32 118.68 115.20 1j1h s LEU 55 Ca 0.45 1.00 -0.14 0.00 0.05 0.00 0.00 54.13 55.50 1j1h s LEU 55 Cb -0.11 -3.32 -0.08 0.00 -2.05 0.00 0.00 46.19 40.63 1j1h s LEU 55 CO 0.29 -0.67 -0.31 -1.84 -0.55 0.00 0.00 176.35 173.26 1j1h n GLU 56 N 6.36 0.50 0.00 1.48 0.28 0.51 -4.12 120.64 125.65 1j1h n GLU 56 Ca 0.08 0.21 0.14 0.00 -0.16 0.00 0.00 57.16 57.43 1j1h n GLU 56 Cb 0.47 -1.35 0.62 0.00 1.43 0.00 0.00 31.44 32.62 1j1h n GLU 56 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1j1h n ASN 57 N -4.21 0.47 -4.57 -1.84 5.15 -1.17 -4.71 115.26 104.37 1j1h n ASN 57 Ca -0.32 -0.59 -0.40 0.00 -0.60 0.00 0.00 54.58 52.67 1j1h n ASN 57 Cb 0.67 -0.08 -0.03 0.00 -0.53 0.00 0.00 39.78 39.82 1j1h n ASN 57 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1j1h s LEU 58 N -2.46 3.39 -0.31 1.20 1.43 -1.26 -4.50 118.68 116.18 1j1h s LEU 58 Ca 0.29 0.82 -0.18 0.00 -1.03 0.00 0.00 54.13 54.03 1j1h s LEU 58 Cb 0.20 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 1j1h s LEU 58 CO 0.47 -2.18 0.52 -0.31 0.23 0.00 0.00 176.35 175.09 1j1h s TYR 59 N 8.61 3.22 -0.47 0.29 1.51 -1.26 -4.90 117.35 124.34 1j1h s TYR 59 Ca 0.76 0.42 -0.21 0.00 -1.01 0.00 0.00 57.07 57.03 1j1h s TYR 59 Cb -0.17 -2.84 0.04 0.00 -0.11 0.00 0.00 41.96 38.87 1j1h s TYR 59 CO 0.26 -0.42 0.71 0.42 -1.11 0.00 0.00 175.55 175.41 1j1h s ILE 60 N 2.38 4.74 -0.44 2.71 1.09 -1.26 -1.82 121.20 128.60 1j1h s ILE 60 Ca 0.20 0.04 -0.11 0.00 -1.10 0.00 0.00 60.65 59.68 1j1h s ILE 60 Cb -0.15 -4.30 0.09 0.00 -1.06 0.00 0.00 42.46 37.03 1j1h s ILE 60 CO 0.11 -0.75 0.31 0.00 -0.10 0.00 0.00 174.94 174.52 1j1h s ALA 61 N 3.02 3.38 1.00 9.38 0.00 -0.22 -4.65 121.76 133.67 1j1h s ALA 61 Ca 0.23 -2.22 0.00 0.00 0.00 0.00 0.00 51.96 49.97 1j1h s ALA 61 Cb -0.15 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1j1h s ALA 61 CO 0.18 -1.72 0.00 -0.35 0.00 0.00 0.00 175.76 173.86 1j1h n PRO 62 N 4.99 1.09 -0.23 0.00 -0.04 -1.26 -3.09 135.00 136.46 1j1h n PRO 62 Ca -0.10 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.39 1j1h n PRO 62 Cb 0.43 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.93 1j1h n PRO 62 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1j1h n TYR 63 N -0.25 0.00 -2.43 0.54 4.19 -1.26 -4.77 117.16 113.18 1j1h n TYR 63 Ca 0.00 -0.36 -0.14 0.00 3.31 0.00 0.00 57.90 60.71 1j1h n TYR 63 Cb 0.00 -0.07 0.03 0.00 0.49 0.00 0.00 39.34 39.79 1j1h n TYR 63 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1j1h n GLU 64 N -0.50 2.67 -2.84 2.98 1.02 -1.26 -4.91 120.64 117.80 1j1h n GLU 64 Ca 0.05 -3.87 -0.02 0.00 -0.02 0.00 0.00 57.16 53.31 1j1h n GLU 64 Cb 0.60 -1.94 0.01 0.00 -0.02 0.00 0.00 31.44 30.09 1j1h n GLU 64 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1j1h s LYS 65 N -3.65 0.66 0.11 3.49 1.02 -1.26 -5.01 119.74 115.09 1j1h s LYS 65 Ca 0.39 -0.51 0.13 0.00 0.02 0.00 0.00 55.97 56.00 1j1h s LYS 65 Cb 0.38 0.01 -0.13 0.00 -0.52 0.00 0.00 37.83 37.56 1j1h s LYS 65 CO -0.01 -0.86 1.07 0.78 -0.92 0.00 0.00 175.35 175.41 1j1h h GLY 66 N 5.31 0.00 -4.19 -3.33 0.00 -1.96 -3.45 103.07 95.45 1j1h h GLY 66 Ca 0.03 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.83 1j1h h GLY 66 CO -0.01 0.00 0.20 -0.45 0.00 0.00 0.00 176.54 176.28 1j1h s SER 67 N -6.26 7.38 -0.02 0.19 0.15 -1.26 -5.06 113.70 108.82 1j1h s SER 67 Ca -0.01 1.64 0.03 0.00 0.70 0.00 0.00 55.95 58.31 1j1h s SER 67 Cb 0.09 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1j1h s SER 67 CO 0.80 0.15 -0.09 -0.31 1.20 0.00 0.00 173.24 174.98 1j1h s TYR 68 N -0.85 0.98 0.00 3.44 1.51 -1.26 -4.99 117.35 116.17 1j1h s TYR 68 Ca 0.37 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 56.19 1j1h s TYR 68 Cb -0.23 -0.69 0.00 0.00 -0.11 0.00 0.00 41.96 40.93 1j1h s TYR 68 CO 0.26 -0.10 0.00 0.00 -1.11 0.00 0.00 175.55 174.61 1j1h n ALA 69 N 3.24 1.70 -1.79 3.71 0.00 -1.26 -5.00 120.51 121.11 1j1h n ALA 69 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 1j1h n ALA 69 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.99 1j1h n ALA 69 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1j1h n ASN 70 N -2.06 -0.13 -4.81 0.00 2.85 -1.26 -5.16 115.26 104.70 1j1h n ASN 70 Ca 0.00 -0.45 -0.22 0.00 -0.11 0.00 0.00 54.58 53.80 1j1h n ASN 70 Cb 0.00 0.04 -0.04 0.00 1.24 0.00 0.00 39.78 41.02 1j1h n ASN 70 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1j1h s VAL 71 N 0.00 3.95 0.09 3.44 -7.23 -1.26 -5.12 120.40 114.28 1j1h s VAL 71 Ca 0.00 -1.46 0.04 0.00 -1.81 0.00 0.00 61.98 58.76 1j1h s VAL 71 Cb 0.01 -3.25 -0.04 0.00 0.56 0.00 0.00 36.38 33.66 1j1h s VAL 71 CO -0.00 -0.28 0.03 -1.81 -0.31 0.00 0.00 175.10 172.72 1j1h s ASP 72 N -3.88 5.20 0.36 4.85 1.01 -1.26 -5.12 116.67 117.83 1j1h s ASP 72 Ca 0.36 -0.13 0.00 0.00 0.71 0.00 0.00 52.55 53.49 1j1h s ASP 72 Cb -0.07 -1.29 0.00 0.00 1.01 0.00 0.00 42.92 42.57 1j1h s ASP 72 CO 0.25 0.17 0.00 -0.81 0.21 0.00 0.00 175.17 174.99 1j1h n PRO 73 N 0.47 0.32 -0.06 8.23 -0.04 -1.26 -4.92 135.00 137.74 1j1h n PRO 73 Ca -0.10 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.22 1j1h n PRO 73 Cb 0.52 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.85 1j1h n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j1h h ARG 74 N 0.00 0.01 0.00 0.54 2.47 -1.98 -3.30 114.38 112.12 1j1h h ARG 74 Ca 0.00 -0.02 -0.06 0.00 -1.26 0.00 0.00 59.98 58.64 1j1h h ARG 74 Cb 0.00 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 1j1h h ARG 74 CO 0.00 0.96 -0.31 -0.09 0.56 0.00 0.00 179.97 181.09 1j1h h ARG 75 N -0.93 0.00 0.00 0.04 1.12 -1.94 -3.46 114.38 109.21 1j1h h ARG 75 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1j1h h ARG 75 Cb 0.97 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.93 1j1h h ARG 75 CO 0.01 0.31 0.00 1.17 -3.11 0.00 0.00 179.97 178.34 1j1h n LYS 76 N -3.33 0.00 -3.17 0.20 4.81 -1.24 -4.32 118.16 111.11 1j1h n LYS 76 Ca 0.01 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.50 1j1h n LYS 76 Cb 0.54 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.56 1j1h n LYS 76 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1j1h s ARG 77 N 0.00 0.05 0.00 1.64 1.70 -1.26 -4.67 118.95 116.41 1j1h s ARG 77 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 55.73 55.36 1j1h s ARG 77 Cb 0.00 0.06 0.00 0.00 -0.57 0.00 0.00 34.95 34.44 1j1h s ARG 77 CO 0.00 -0.04 0.00 1.17 -1.08 0.00 0.00 175.30 175.35 1j1h n LYS 78 N 5.09 0.00 -1.62 3.89 4.81 -1.26 -4.64 118.16 124.43 1j1h n LYS 78 Ca -0.08 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 56.99 1j1h n LYS 78 Cb 0.55 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.67 1j1h n LYS 78 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1j1h n LEU 79 N 0.00 4.79 -4.32 3.14 4.77 -1.06 -4.76 117.00 119.57 1j1h n LEU 79 Ca 0.00 0.79 -0.37 0.00 -0.03 0.00 0.00 56.01 56.40 1j1h n LEU 79 Cb 0.00 -1.47 -0.13 0.00 -2.33 0.00 0.00 43.42 39.49 1j1h n LEU 79 CO 0.00 -1.50 -0.29 -0.22 -1.33 0.00 0.00 177.39 174.05 1j1h s LEU 80 N -3.36 3.82 -0.03 2.23 2.96 -1.25 -3.80 118.68 119.25 1j1h s LEU 80 Ca 0.79 -0.79 0.07 0.00 -0.22 0.00 0.00 54.13 53.99 1j1h s LEU 80 Cb -0.38 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 1j1h s LEU 80 CO 0.44 -0.20 -0.25 -0.22 -1.32 0.00 0.00 176.35 174.80 1j1h s LEU 81 N 1.46 2.07 0.14 -0.68 0.20 -1.26 -1.37 118.68 119.24 1j1h s LEU 81 Ca 0.02 -0.47 -0.35 0.00 0.69 0.00 0.00 54.13 54.01 1j1h s LEU 81 Cb -0.17 -1.35 -0.15 0.00 -0.43 0.00 0.00 46.19 44.08 1j1h s LEU 81 CO 0.02 0.30 1.41 1.41 -0.29 0.00 0.00 176.35 179.20 1j1h n HIS 82 N 2.58 1.83 -0.31 5.38 8.25 -1.26 -4.66 115.22 127.02 1j1h n HIS 82 Ca -0.16 0.49 -0.01 0.00 -0.26 0.00 0.00 57.72 57.78 1j1h n HIS 82 Cb 0.51 -2.41 0.12 0.00 1.12 0.00 0.00 29.99 29.33 1j1h n HIS 82 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1j1h h LYS 83 N 4.88 0.99 -0.36 -0.41 3.11 -1.94 0.02 116.57 122.87 1j1h h LYS 83 Ca -0.46 -0.06 0.09 0.00 -2.81 0.00 0.00 60.65 57.41 1j1h h LYS 83 Cb 1.30 -0.22 -0.02 0.00 -1.00 0.00 0.00 32.23 32.29 1j1h h LYS 83 CO 0.81 0.66 0.26 1.25 -2.81 0.00 0.00 179.45 179.61 1j1h h HIS 84 N 1.02 0.06 -0.10 1.91 2.76 -1.93 0.10 115.15 118.98 1j1h h HIS 84 Ca 0.36 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.35 1j1h h HIS 84 Cb 0.08 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 1j1h h HIS 84 CO -0.03 0.03 -0.68 0.93 -1.30 0.00 0.00 177.93 176.88 1j1h h GLU 85 N 0.06 0.42 -0.10 5.26 5.08 -1.34 -3.19 114.58 120.77 1j1h h GLU 85 Ca 0.17 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1j1h h GLU 85 Cb 0.60 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1j1h h GLU 85 CO -0.01 0.95 0.02 1.25 -1.00 0.00 0.00 179.01 180.21 1j1h h LEU 86 N 0.29 0.00 -0.51 1.33 5.85 -0.10 -3.05 115.31 119.13 1j1h h LEU 86 Ca -0.02 0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 1j1h h LEU 86 Cb 1.24 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 1j1h h LEU 86 CO 0.12 0.02 -0.74 -0.09 -0.34 0.00 0.00 178.44 177.40 1j1h h ARG 87 N 0.06 0.04 -0.07 1.25 2.43 -1.64 -3.21 114.38 113.25 1j1h h ARG 87 Ca 0.04 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1j1h h ARG 87 Cb 0.04 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1j1h h ARG 87 CO -0.06 0.77 -0.02 0.00 -1.51 0.00 0.00 179.97 179.15 1j1h h ARG 88 N 0.03 0.14 0.01 0.20 3.08 -1.51 0.46 114.38 116.78 1j1h h ARG 88 Ca -0.01 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 1j1h h ARG 88 Cb 1.31 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.36 1j1h h ARG 88 CO 0.10 0.46 -0.44 1.25 -1.07 0.00 0.00 179.97 180.27 1j1h h LEU 89 N -0.20 0.37 -1.10 3.04 7.12 -1.69 -3.18 115.31 119.67 1j1h h LEU 89 Ca 0.02 -0.78 -0.09 0.00 0.13 0.00 0.00 57.88 57.16 1j1h h LEU 89 Cb 0.41 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.41 1j1h h LEU 89 CO 0.01 1.11 -0.34 0.25 -0.13 0.00 0.00 178.44 179.34 1j1h h LEU 90 N -0.32 0.20 -2.82 2.25 7.12 -1.66 -2.56 115.31 117.50 1j1h h LEU 90 Ca -0.06 -0.07 0.00 0.00 0.13 0.00 0.00 57.88 57.88 1j1h h LEU 90 Cb 1.18 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.26 1j1h h LEU 90 CO 0.09 0.54 0.04 1.23 -0.13 0.00 0.00 178.44 180.20 1j1h h GLY 91 N 1.10 0.00 1.61 3.75 0.00 -0.05 -2.30 103.07 107.19 1j1h h GLY 91 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.08 1j1h h GLY 91 CO 0.05 0.00 -1.26 0.50 0.00 0.00 0.00 176.54 175.83 1j1h h LYS 92 N 0.00 0.24 0.00 4.80 1.79 -1.50 -3.25 116.57 118.66 1j1h h LYS 92 Ca 0.00 -0.41 -0.01 0.00 -2.18 0.00 0.00 60.65 58.05 1j1h h LYS 92 Cb 0.08 0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1j1h h LYS 92 CO 0.00 1.18 -0.04 -0.39 -1.08 0.00 0.00 179.45 179.12 1j1h h VAL 93 N 0.07 0.36 0.00 0.50 -1.51 -1.55 -2.64 116.25 111.47 1j1h h VAL 93 Ca -0.14 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 1j1h h VAL 93 Cb 1.96 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 32.27 1j1h h VAL 93 CO 0.19 0.04 0.24 -0.33 -1.23 0.00 0.00 177.57 176.48 1j1h h GLU 94 N 0.00 0.00 0.00 5.19 4.39 -1.61 -3.15 114.58 119.39 1j1h h GLU 94 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1j1h h GLU 94 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1j1h h GLU 94 CO 0.01 0.00 0.00 0.94 -1.16 0.00 0.00 179.01 178.80 1j1h n GLN 95 N -2.13 0.00 0.00 2.33 0.00 -1.00 -4.88 117.38 111.70 1j1h n GLN 95 Ca -0.01 0.52 0.00 0.00 -0.00 0.00 0.00 57.00 57.51 1j1h n GLN 95 Cb 0.27 -1.17 0.00 0.00 0.00 0.00 0.00 30.24 29.34 1j1h n GLN 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1j1h n LYS 96 N -1.47 0.00 0.00 3.69 4.81 -1.19 -4.99 118.16 119.01 1j1h n LYS 96 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1j1h n LYS 96 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1j1h n LYS 96 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1j1h n GLY 97 N 0.00 1.08 3.63 3.14 0.00 -1.26 -4.78 105.19 106.99 1j1h n GLY 97 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1j1h n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j1h s LEU 98 N 0.00 3.19 0.06 0.99 1.02 -1.25 -2.48 118.68 120.20 1j1h s LEU 98 Ca 0.00 -0.44 0.05 0.00 0.02 0.00 0.00 54.13 53.76 1j1h s LEU 98 Cb 0.00 -1.87 -0.03 0.00 0.02 0.00 0.00 46.19 44.31 1j1h s LEU 98 CO 0.00 0.11 -0.14 -0.89 0.02 0.00 0.00 176.35 175.45 1j1h s THR 99 N -1.64 1.09 -0.19 5.49 2.01 -1.13 -4.84 115.64 116.43 1j1h s THR 99 Ca 0.26 -1.16 -0.04 0.00 0.31 0.00 0.00 61.69 61.06 1j1h s THR 99 Cb -0.09 -1.03 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 1j1h s THR 99 CO 0.17 -0.13 -0.03 -1.48 -0.69 0.00 0.00 174.62 172.46 1j1h s LEU 100 N -1.47 3.14 -0.06 4.42 -0.00 -1.26 -2.14 118.68 121.31 1j1h s LEU 100 Ca -0.01 -0.23 -0.03 0.00 -0.00 0.00 0.00 54.13 53.86 1j1h s LEU 100 Cb -0.09 -1.78 0.04 0.00 -0.00 0.00 0.00 46.19 44.35 1j1h s LEU 100 CO 0.02 0.08 0.14 0.54 -0.00 0.00 0.00 176.35 177.13 1j1h s VAL 101 N 0.90 -0.05 -0.86 1.48 0.11 -1.25 -3.20 120.40 117.53 1j1h s VAL 101 Ca 0.00 0.17 -0.25 0.00 -2.93 0.00 0.00 61.98 58.98 1j1h s VAL 101 Cb -0.14 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 1j1h s VAL 101 CO 0.01 0.07 1.93 -2.16 -3.33 0.00 0.00 175.10 171.63 1j1h s PRO 102 N 1.13 2.57 0.28 1.54 0.04 -1.26 -1.48 135.00 137.81 1j1h s PRO 102 Ca -0.09 -0.17 0.06 0.00 0.04 0.00 0.00 61.00 60.84 1j1h s PRO 102 Cb -0.11 -4.97 0.42 0.00 0.04 0.00 0.00 34.50 29.87 1j1h s PRO 102 CO -0.06 -3.29 1.68 -0.07 0.04 0.00 0.00 177.00 175.30 1j1h h LEU 103 N 17.66 0.26 -7.70 -3.56 4.07 -1.50 -3.43 115.31 121.11 1j1h h LEU 103 Ca 0.05 -0.12 -0.47 0.00 0.08 0.00 0.00 57.88 57.42 1j1h h LEU 103 Cb 1.03 -0.07 -0.36 0.00 1.08 0.00 0.00 40.66 42.34 1j1h h LEU 103 CO 1.21 0.67 -0.79 -0.54 -1.08 0.00 0.00 178.44 177.92 1j1h s LYS 104 N -4.08 1.13 -0.23 1.13 -0.14 -1.14 0.25 119.74 116.66 1j1h s LYS 104 Ca -0.04 -0.15 0.01 0.00 -1.36 0.00 0.00 55.97 54.43 1j1h s LYS 104 Cb 0.13 -1.20 0.04 0.00 -1.68 0.00 0.00 37.83 35.12 1j1h s LYS 104 CO 0.78 -0.18 -0.13 0.42 -0.76 0.00 0.00 175.35 175.48 1j1h s ILE 105 N 1.38 2.25 0.03 2.17 1.01 -1.26 -2.22 121.20 124.57 1j1h s ILE 105 Ca -0.03 -1.28 0.01 0.00 0.00 0.00 0.00 60.65 59.35 1j1h s ILE 105 Cb -0.13 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1j1h s ILE 105 CO -0.03 0.22 0.11 -0.31 0.00 0.00 0.00 174.94 174.92 1j1h s TYR 106 N 1.21 3.31 0.07 3.97 1.51 -0.49 -4.16 117.35 122.77 1j1h s TYR 106 Ca -0.02 0.19 0.03 0.00 -1.01 0.00 0.00 57.07 56.26 1j1h s TYR 106 Cb -0.17 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 39.94 1j1h s TYR 106 CO -0.08 0.56 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.76 1j1h s PHE 107 N -1.31 0.95 -0.08 2.71 0.40 -1.26 -1.36 117.98 118.02 1j1h s PHE 107 Ca 0.27 -0.58 -0.14 0.00 -0.60 0.00 0.00 56.93 55.88 1j1h s PHE 107 Cb -0.12 -0.54 0.03 0.00 0.51 0.00 0.00 43.02 42.90 1j1h s PHE 107 CO 0.19 -0.03 0.35 -0.80 0.70 0.00 0.00 175.22 175.63 1j1h s ASN 108 N -2.06 -0.31 0.00 1.36 0.01 -0.99 -4.94 114.94 108.02 1j1h s ASN 108 Ca -0.01 0.46 0.04 0.00 -0.71 0.00 0.00 52.86 52.64 1j1h s ASN 108 Cb -0.06 0.56 0.19 0.00 0.41 0.00 0.00 41.25 42.35 1j1h s ASN 108 CO 0.00 -0.27 0.85 1.21 -1.51 0.00 0.00 177.10 177.38 1j1h n GLU 109 N 2.16 0.07 -0.16 -0.60 2.13 -1.26 -2.03 120.64 120.96 1j1h n GLU 109 Ca -0.17 0.16 0.02 0.00 0.66 0.00 0.00 57.16 57.83 1j1h n GLU 109 Cb 0.57 -1.50 0.08 0.00 0.27 0.00 0.00 31.44 30.86 1j1h n GLU 109 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1j1h n ARG 110 N -1.18 1.69 -2.26 5.31 5.12 -1.26 -4.79 116.66 119.28 1j1h n ARG 110 Ca 0.02 -0.61 -0.17 0.00 -1.93 0.00 0.00 57.85 55.16 1j1h n ARG 110 Cb 0.02 -1.53 -0.01 0.00 -1.16 0.00 0.00 32.46 29.78 1j1h n ARG 110 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1j1h n GLY 111 N 0.27 -0.18 2.89 -0.13 0.00 -0.86 -4.95 105.19 102.22 1j1h n GLY 111 Ca 0.05 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 1j1h n GLY 111 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j1h s TYR 112 N -2.85 2.30 -0.05 1.61 2.02 -1.19 -4.18 117.35 115.00 1j1h s TYR 112 Ca 0.00 -1.80 0.06 0.00 -0.37 0.00 0.00 57.07 54.95 1j1h s TYR 112 Cb 0.00 -1.70 -0.01 0.00 -0.40 0.00 0.00 41.96 39.85 1j1h s TYR 112 CO 0.00 -0.79 -0.23 0.00 -1.57 0.00 0.00 175.55 172.96 1j1h s ALA 113 N 1.42 1.99 -0.17 3.71 0.00 -0.43 -2.34 121.76 125.94 1j1h s ALA 113 Ca -0.01 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 50.91 1j1h s ALA 113 Cb -0.18 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1j1h s ALA 113 CO -0.10 0.39 0.11 -1.59 0.00 0.00 0.00 175.76 174.58 1j1h s LYS 114 N -0.16 3.90 -0.06 0.00 -2.85 -0.47 -1.13 119.74 118.98 1j1h s LYS 114 Ca -0.02 -0.23 0.04 0.00 -1.00 0.00 0.00 55.97 54.75 1j1h s LYS 114 Cb -0.13 -3.29 -0.02 0.00 -2.06 0.00 0.00 37.83 32.33 1j1h s LYS 114 CO 0.03 0.43 -0.18 0.08 0.10 0.00 0.00 175.35 175.81 1j1h s VAL 115 N -0.04 2.74 -0.19 1.79 1.01 -0.62 -1.39 120.40 123.69 1j1h s VAL 115 Ca 0.09 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 1j1h s VAL 115 Cb -0.12 -2.06 0.05 0.00 0.00 0.00 0.00 36.38 34.25 1j1h s VAL 115 CO 0.00 0.57 -0.04 -0.22 0.00 0.00 0.00 175.10 175.41 1j1h s LEU 116 N -0.39 1.89 -0.01 3.92 0.20 -0.94 -1.53 118.68 121.83 1j1h s LEU 116 Ca 0.04 -0.85 -0.05 0.00 0.69 0.00 0.00 54.13 53.95 1j1h s LEU 116 Cb -0.12 -0.97 -0.04 0.00 -0.43 0.00 0.00 46.19 44.62 1j1h s LEU 116 CO 0.02 -0.21 0.23 -0.22 -0.29 0.00 0.00 176.35 175.88 1j1h s LEU 117 N 1.57 4.37 -0.20 -0.68 0.20 -0.65 -1.23 118.68 122.07 1j1h s LEU 117 Ca -0.02 0.48 0.00 0.00 0.69 0.00 0.00 54.13 55.28 1j1h s LEU 117 Cb -0.17 -2.60 0.05 0.00 -0.43 0.00 0.00 46.19 43.04 1j1h s LEU 117 CO -0.07 0.27 -0.07 -0.83 -0.29 0.00 0.00 176.35 175.36 1j1h s GLY 118 N -1.73 1.14 -0.11 7.98 0.00 -0.55 -2.66 107.32 111.39 1j1h s GLY 118 Ca 0.26 -1.09 -0.29 0.00 0.00 0.00 0.00 44.72 43.60 1j1h s GLY 118 CO 0.16 0.88 0.97 -2.27 0.00 0.00 0.00 173.10 172.84 1j1h s LEU 119 N 1.50 4.24 -0.13 0.66 2.96 0.02 -3.76 118.68 124.17 1j1h s LEU 119 Ca -0.02 1.47 -0.03 0.00 -0.22 0.00 0.00 54.13 55.34 1j1h s LEU 119 Cb -0.17 -3.50 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 1j1h s LEU 119 CO -0.07 -0.43 -0.03 0.00 -1.32 0.00 0.00 176.35 174.49 1j1h s ALA 120 N 1.98 3.06 -0.42 5.97 0.00 -0.91 0.09 121.76 131.52 1j1h s ALA 120 Ca 0.47 -0.83 -0.17 0.00 0.00 0.00 0.00 51.96 51.43 1j1h s ALA 120 Cb -0.18 -1.49 0.02 0.00 0.00 0.00 0.00 23.12 21.47 1j1h s ALA 120 CO 0.17 0.35 0.45 -0.98 0.00 0.00 0.00 175.76 175.74 1j1h s ARG 121 N -0.07 3.10 0.56 0.00 1.70 -1.26 -2.85 118.95 120.12 1j1h s ARG 121 Ca 0.02 -0.76 0.33 0.00 -0.47 0.00 0.00 55.73 54.85 1j1h s ARG 121 Cb -0.13 -3.97 1.58 0.00 -0.57 0.00 0.00 34.95 31.86 1j1h s ARG 121 CO 0.02 -0.87 2.08 0.78 -1.08 0.00 0.00 175.30 176.24 1j1h h GLY 122 N 9.08 0.00 0.00 3.88 0.00 -1.82 -3.49 103.07 110.72 1j1h h GLY 122 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1j1h h GLY 122 CO 0.80 0.00 0.00 1.17 0.00 0.00 0.00 176.54 178.51