#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 -0.80 -1.75 3.04 0.00 -1.26 -4.96 120.51 114.79 1j1h n ALA 2 Ca 0.00 0.20 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 1j1h n ALA 2 Cb 0.00 -1.91 0.15 0.00 0.00 0.00 0.00 19.45 17.69 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 -1.77 1.00 -0.46 0.00 0.04 -1.26 -4.95 135.00 127.59 1j1h s PRO 3 Ca 0.64 -0.04 -0.28 0.00 0.04 0.00 0.00 61.00 61.35 1j1h s PRO 3 Cb -0.59 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1j1h s PRO 3 CO 0.57 -2.23 1.56 0.08 0.04 0.00 0.00 177.00 177.03 1j1h s VAL 4 N -3.56 3.70 0.43 -0.36 1.01 -1.26 -4.74 120.40 115.61 1j1h s VAL 4 Ca 0.67 0.65 0.00 0.00 0.00 0.00 0.00 61.98 63.30 1j1h s VAL 4 Cb -0.09 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1j1h s VAL 4 CO 0.52 -0.82 0.00 0.18 0.00 0.00 0.00 175.10 174.99 1j1h n LEU 5 N 9.90 -1.64 -4.04 3.92 4.77 -1.25 -4.13 117.00 124.54 1j1h n LEU 5 Ca 0.17 2.28 -0.11 0.00 -0.03 0.00 0.00 56.01 58.33 1j1h n LEU 5 Cb 0.49 -2.13 -0.11 0.00 -2.33 0.00 0.00 43.42 39.34 1j1h n LEU 5 CO 0.70 -0.11 -0.38 -1.83 -1.33 0.00 0.00 177.39 174.45 1j1h s GLU 6 N -4.63 0.47 -0.60 3.23 4.04 -1.26 -4.07 118.70 115.87 1j1h s GLU 6 Ca 0.00 -0.78 -0.16 0.00 0.04 0.00 0.00 54.97 54.06 1j1h s GLU 6 Cb 0.00 -0.06 0.14 0.00 0.02 0.00 0.00 34.13 34.22 1j1h s GLU 6 CO 0.00 -0.01 0.59 0.54 -1.84 0.00 0.00 175.26 174.54 1j1h s ASN 7 N -1.77 6.28 0.05 0.83 6.03 -1.14 -4.26 114.94 120.95 1j1h s ASN 7 Ca -0.09 -1.84 -0.15 0.00 -1.03 0.00 0.00 52.86 49.75 1j1h s ASN 7 Cb -0.07 -2.23 -0.29 0.00 -3.03 0.00 0.00 41.25 35.62 1j1h s ASN 7 CO -0.02 -0.88 1.11 -0.09 -2.03 0.00 0.00 177.10 175.19 1j1h h ARG 8 N 8.80 0.64 -0.86 3.55 1.12 -1.81 -3.31 114.38 122.51 1j1h h ARG 8 Ca -0.23 -0.84 0.06 0.00 -1.11 0.00 0.00 59.98 57.85 1j1h h ARG 8 Cb 1.09 0.28 -0.05 0.00 -0.01 0.00 0.00 29.97 31.27 1j1h h ARG 8 CO 1.02 1.39 0.56 -0.09 -3.11 0.00 0.00 179.97 179.73 1j1h h ARG 9 N 0.29 0.95 0.06 0.20 1.12 -1.90 0.10 114.38 115.20 1j1h h ARG 9 Ca -0.19 -0.06 -0.29 0.00 -1.11 0.00 0.00 59.98 58.34 1j1h h ARG 9 Cb 1.92 -0.22 -0.03 0.00 -0.01 0.00 0.00 29.97 31.64 1j1h h ARG 9 CO 0.24 0.63 -1.56 0.00 -3.11 0.00 0.00 179.97 176.18 1j1h h ALA 10 N 1.53 0.32 0.00 2.80 0.00 -1.77 0.55 119.26 122.68 1j1h h ALA 10 Ca 0.36 -1.27 -0.09 0.00 0.00 0.00 0.00 54.91 53.91 1j1h h ALA 10 Cb 0.17 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1j1h h ALA 10 CO -0.13 0.95 -0.42 -0.09 0.00 0.00 0.00 179.25 179.56 1j1h h ARG 11 N -0.54 0.00 0.03 0.00 9.65 -1.64 -3.00 114.38 118.88 1j1h h ARG 11 Ca -0.37 0.00 -0.38 0.00 -1.10 0.00 0.00 59.98 58.12 1j1h h ARG 11 Cb 1.62 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 30.15 1j1h h ARG 11 CO -0.08 0.42 -2.28 1.58 2.80 0.00 0.00 179.97 182.41 1j1h n HIS 12 N -3.96 0.41 -0.05 2.20 -0.00 0.35 -4.86 115.22 109.32 1j1h n HIS 12 Ca -0.02 0.10 -0.06 0.00 0.46 0.00 0.00 57.72 58.21 1j1h n HIS 12 Cb 0.46 -1.05 -0.05 0.00 -0.12 0.00 0.00 29.99 29.22 1j1h n HIS 12 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1j1h n ASP 13 N -3.54 3.14 -3.79 0.26 -0.08 0.16 -5.00 116.55 107.70 1j1h n ASP 13 Ca -0.43 -0.03 -0.11 0.00 -1.51 0.00 0.00 54.79 52.71 1j1h n ASP 13 Cb 0.97 0.24 -0.08 0.00 2.34 0.00 0.00 41.12 44.59 1j1h n ASP 13 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1j1h s TYR 14 N -2.20 -0.05 -0.13 -0.67 6.14 0.82 -4.94 117.35 116.33 1j1h s TYR 14 Ca -0.09 -0.09 -0.26 0.00 0.64 0.00 0.00 57.07 57.27 1j1h s TYR 14 Cb 0.03 0.05 -0.02 0.00 0.42 0.00 0.00 41.96 42.44 1j1h s TYR 14 CO 0.27 -0.46 0.83 -2.00 0.64 0.00 0.00 175.55 174.83 1j1h s GLU 15 N -2.40 4.36 -0.19 4.97 2.56 -1.26 -4.43 118.70 122.32 1j1h s GLU 15 Ca -0.06 1.05 -0.27 0.00 0.00 0.00 0.00 54.97 55.69 1j1h s GLU 15 Cb -0.02 -3.53 -0.01 0.00 2.00 0.00 0.00 34.13 32.58 1j1h s GLU 15 CO -0.03 -0.21 0.91 0.42 -0.56 0.00 0.00 175.26 175.80 1j1h s ILE 16 N 1.72 4.81 -0.05 -3.70 -1.09 -1.26 -4.51 121.20 117.11 1j1h s ILE 16 Ca 0.40 1.79 -0.24 0.00 -2.23 0.00 0.00 60.65 60.37 1j1h s ILE 16 Cb -0.17 -4.21 -0.24 0.00 -1.58 0.00 0.00 42.46 36.26 1j1h s ILE 16 CO 0.16 -0.05 1.02 0.25 -1.23 0.00 0.00 174.94 175.09 1j1h h LEU 17 N 8.70 0.28 -8.85 2.97 5.85 -0.94 -3.46 115.31 119.86 1j1h h LEU 17 Ca -0.26 -0.80 -0.69 0.00 0.84 0.00 0.00 57.88 56.97 1j1h h LEU 17 Cb 1.11 -0.09 -0.24 0.00 0.37 0.00 0.00 40.66 41.81 1j1h h LEU 17 CO 0.88 1.04 -0.86 -0.70 -0.34 0.00 0.00 178.44 178.46 1j1h s GLU 18 N -3.05 1.71 0.05 1.25 2.56 -1.17 -4.97 118.70 115.08 1j1h s GLU 18 Ca -0.15 -1.17 0.02 0.00 0.00 0.00 0.00 54.97 53.67 1j1h s GLU 18 Cb 0.01 -1.99 -0.03 0.00 2.00 0.00 0.00 34.13 34.12 1j1h s GLU 18 CO 0.76 0.49 -0.08 0.95 -0.56 0.00 0.00 175.26 176.82 1j1h s THR 19 N -0.92 0.61 0.04 -1.70 -4.23 -1.26 -1.05 115.64 107.12 1j1h s THR 19 Ca 0.13 -1.14 -0.02 0.00 -1.18 0.00 0.00 61.69 59.48 1j1h s THR 19 Cb -0.10 -0.70 -0.02 0.00 1.34 0.00 0.00 72.50 73.01 1j1h s THR 19 CO 0.04 -0.39 0.01 -0.72 -0.54 0.00 0.00 174.62 173.03 1j1h s TYR 20 N -1.47 0.33 -0.22 3.99 -0.85 -1.13 -4.53 117.35 113.48 1j1h s TYR 20 Ca -0.08 -0.71 -0.02 0.00 -0.52 0.00 0.00 57.07 55.73 1j1h s TYR 20 Cb -0.09 -0.25 0.01 0.00 0.38 0.00 0.00 41.96 42.01 1j1h s TYR 20 CO 0.00 -0.31 -0.08 -2.00 -1.52 0.00 0.00 175.55 171.64 1j1h s GLU 21 N -2.70 3.07 0.35 -3.49 2.12 -1.26 -1.73 118.70 115.06 1j1h s GLU 21 Ca -0.04 -0.81 0.08 0.00 0.36 0.00 0.00 54.97 54.55 1j1h s GLU 21 Cb -0.01 -2.90 -0.03 0.00 0.26 0.00 0.00 34.13 31.45 1j1h s GLU 21 CO -0.05 -0.28 0.26 0.00 -0.54 0.00 0.00 175.26 174.64 1j1h s ALA 22 N 1.38 3.76 -0.23 6.30 0.00 -0.33 -4.73 121.76 127.90 1j1h s ALA 22 Ca 0.03 -1.73 -0.03 0.00 0.00 0.00 0.00 51.96 50.23 1j1h s ALA 22 Cb -0.15 -1.02 0.07 0.00 0.00 0.00 0.00 23.12 22.03 1j1h s ALA 22 CO -0.06 -0.01 0.06 0.20 0.00 0.00 0.00 175.76 175.95 1j1h s GLY 23 N -3.96 0.75 -0.32 0.00 0.00 -0.16 -2.68 107.32 100.94 1j1h s GLY 23 Ca 0.41 -0.96 -0.14 0.00 0.00 0.00 0.00 44.72 44.03 1j1h s GLY 23 CO 0.25 1.57 0.30 -0.42 0.00 0.00 0.00 173.10 174.80 1j1h s ILE 24 N 1.85 5.23 0.60 0.90 1.09 -0.44 -3.13 121.20 127.29 1j1h s ILE 24 Ca 0.03 0.06 -0.06 0.00 -1.10 0.00 0.00 60.65 59.57 1j1h s ILE 24 Cb -0.17 -3.73 0.01 0.00 -1.06 0.00 0.00 42.46 37.51 1j1h s ILE 24 CO -0.16 0.02 0.92 0.00 -0.10 0.00 0.00 174.94 175.62 1j1h s ALA 25 N 1.90 3.26 0.01 9.38 0.00 -1.26 -1.34 121.76 133.72 1j1h s ALA 25 Ca 0.10 -0.65 0.08 0.00 0.00 0.00 0.00 51.96 51.48 1j1h s ALA 25 Cb -0.17 -2.65 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 1j1h s ALA 25 CO 0.11 -0.82 -0.23 -0.51 0.00 0.00 0.00 175.76 174.31 1j1h s LEU 26 N -5.02 2.29 0.00 0.00 2.01 -1.26 -4.92 118.68 111.78 1j1h s LEU 26 Ca 0.54 -0.48 -0.07 0.00 0.01 0.00 0.00 54.13 54.13 1j1h s LEU 26 Cb -0.11 -1.38 0.09 0.00 0.01 0.00 0.00 46.19 44.81 1j1h s LEU 26 CO 0.46 0.29 0.52 1.17 1.01 0.00 0.00 176.35 179.80 1j1h n LYS 27 N 1.98 -0.67 -0.10 1.70 4.81 -1.26 -4.69 118.16 119.94 1j1h n LYS 27 Ca -0.17 -0.81 -0.09 0.00 -0.87 0.00 0.00 58.31 56.38 1j1h n LYS 27 Cb 0.52 -0.56 -0.02 0.00 0.02 0.00 0.00 35.03 34.99 1j1h n LYS 27 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1j1h h GLY 28 N -0.77 0.49 0.99 3.14 0.00 -2.00 -2.88 103.07 102.05 1j1h h GLY 28 Ca -0.17 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1j1h h GLY 28 CO 0.12 0.22 -0.51 -1.30 0.00 0.00 0.00 176.54 175.07 1j1h n THR 29 N -4.79 0.01 0.09 4.70 -2.24 -1.26 -3.77 114.28 107.02 1j1h n THR 29 Ca -0.01 -0.01 0.13 0.00 -2.27 0.00 0.00 64.05 61.89 1j1h n THR 29 Cb 0.08 0.25 0.62 0.00 -2.10 0.00 0.00 70.33 69.18 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 0.10 -0.06 -0.78 5.08 -1.84 0.11 114.58 117.19 1j1h h GLU 30 Ca 0.00 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 1j1h h GLU 30 Cb 0.51 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1j1h h GLU 30 CO 0.00 0.06 -0.72 0.28 -1.00 0.00 0.00 179.01 177.63 1j1h h VAL 31 N 0.10 1.40 -0.06 3.13 2.07 -1.65 0.52 116.25 121.76 1j1h h VAL 31 Ca 0.15 -2.18 -0.04 0.00 0.82 0.00 0.00 66.70 65.45 1j1h h VAL 31 Cb 0.48 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1j1h h VAL 31 CO -0.02 0.65 -0.12 0.11 0.02 0.00 0.00 177.57 178.21 1j1h h LYS 32 N 0.22 0.19 -0.22 1.57 1.57 -1.05 -0.13 116.57 118.71 1j1h h LYS 32 Ca -0.03 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.53 1j1h h LYS 32 Cb 1.28 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 1j1h h LYS 32 CO 0.12 0.72 -0.31 0.77 -0.57 0.00 0.00 179.45 180.17 1j1h h SER 33 N -0.32 0.46 -0.20 0.86 0.02 -1.27 1.43 113.55 114.53 1j1h h SER 33 Ca 0.00 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.73 1j1h h SER 33 Cb 0.71 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1j1h h SER 33 CO 0.03 0.75 -0.07 0.25 -1.14 0.00 0.00 176.83 176.64 1j1h h LEU 34 N 0.39 0.42 -1.58 5.07 5.85 0.06 4.08 115.31 129.61 1j1h h LEU 34 Ca 0.05 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 1j1h h LEU 34 Cb 0.74 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1j1h h LEU 34 CO 0.06 0.71 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.69 1j1h h ARG 35 N 0.12 0.00 -0.41 1.25 2.43 -0.67 -1.57 114.38 115.53 1j1h h ARG 35 Ca 0.05 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.07 1j1h h ARG 35 Cb 0.55 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.00 1j1h h ARG 35 CO 0.03 0.10 0.04 0.00 -1.51 0.00 0.00 179.97 178.62 1j1h n ALA 36 N -2.17 4.00 -2.55 2.80 0.00 0.49 -4.77 120.51 118.30 1j1h n ALA 36 Ca -0.00 -2.78 -0.33 0.00 0.00 0.00 0.00 53.44 50.33 1j1h n ALA 36 Cb 0.31 -0.83 -0.12 0.00 0.00 0.00 0.00 19.45 18.80 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 -2.11 1.59 -0.22 0.00 0.00 1.33 -4.78 107.32 103.13 1j1h s GLY 37 Ca 0.46 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 44.25 1j1h s GLY 37 CO 0.05 -0.70 -0.15 0.54 0.00 0.00 0.00 173.10 172.84 1j1h s LYS 38 N -0.70 2.63 0.22 2.90 1.02 -1.25 -3.82 119.74 120.74 1j1h s LYS 38 Ca 0.11 -1.08 0.11 0.00 0.02 0.00 0.00 55.97 55.12 1j1h s LYS 38 Cb -0.11 -2.75 -0.04 0.00 -0.52 0.00 0.00 37.83 34.41 1j1h s LYS 38 CO 0.01 -0.39 -0.16 0.54 -0.92 0.00 0.00 175.35 174.43 1j1h s VAL 39 N 1.21 2.76 -0.47 3.17 0.11 -1.26 -1.82 120.40 124.10 1j1h s VAL 39 Ca -0.02 -1.99 -0.24 0.00 -2.93 0.00 0.00 61.98 56.81 1j1h s VAL 39 Cb -0.16 -2.39 0.03 0.00 -1.53 0.00 0.00 36.38 32.33 1j1h s VAL 39 CO -0.09 -0.21 0.83 -1.81 -3.33 0.00 0.00 175.10 170.49 1j1h s ASP 40 N -3.02 6.41 -0.42 3.54 1.11 -0.88 -4.69 116.67 118.73 1j1h s ASP 40 Ca 0.25 -0.13 -0.19 0.00 0.18 0.00 0.00 52.55 52.66 1j1h s ASP 40 Cb -0.07 -2.40 0.02 0.00 1.07 0.00 0.00 42.92 41.53 1j1h s ASP 40 CO 0.14 -0.98 0.53 -0.36 1.18 0.00 0.00 175.17 175.67 1j1h s PHE 41 N 3.44 3.13 0.00 4.23 0.08 -1.26 -4.33 117.98 123.27 1j1h s PHE 41 Ca 0.31 -0.17 0.00 0.00 0.12 0.00 0.00 56.93 57.19 1j1h s PHE 41 Cb -0.12 -3.07 0.00 0.00 -0.57 0.00 0.00 43.02 39.26 1j1h s PHE 41 CO 0.23 -0.74 0.00 -2.37 -0.10 0.00 0.00 175.22 172.23 1j1h n THR 42 N 5.60 0.00 -2.02 0.64 5.66 -1.26 -3.90 114.28 119.00 1j1h n THR 42 Ca -0.05 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.85 1j1h n THR 42 Cb 0.48 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.24 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 -1.63 0.07 3.65 1.09 0.00 -1.26 -4.88 105.19 102.21 1j1h n GLY 43 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.98 4.56 0.05 1.61 0.01 -1.26 -4.80 113.70 111.89 1j1h s SER 44 Ca 0.00 -0.62 -0.12 0.00 1.31 0.00 0.00 55.95 56.52 1j1h s SER 44 Cb 0.00 -0.86 0.01 0.00 0.21 0.00 0.00 66.02 65.38 1j1h s SER 44 CO 0.00 0.01 0.25 -0.36 0.41 0.00 0.00 173.24 173.56 1j1h s PHE 45 N -2.25 -0.03 0.11 2.43 0.08 -1.26 -4.52 117.98 112.53 1j1h s PHE 45 Ca 0.31 -0.16 0.09 0.00 0.12 0.00 0.00 56.93 57.29 1j1h s PHE 45 Cb -0.07 0.04 -0.04 0.00 -0.57 0.00 0.00 43.02 42.38 1j1h s PHE 45 CO 0.20 -0.48 -0.21 0.00 -0.10 0.00 0.00 175.22 174.62 1j1h s ALA 46 N -2.65 2.55 -0.12 5.36 0.00 -1.23 0.52 121.76 126.19 1j1h s ALA 46 Ca -0.04 -1.36 -0.03 0.00 0.00 0.00 0.00 51.96 50.52 1j1h s ALA 46 Cb -0.01 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 1j1h s ALA 46 CO -0.04 0.57 -0.02 -0.98 0.00 0.00 0.00 175.76 175.29 1j1h s ARG 47 N -1.97 3.36 -0.37 0.00 1.70 -1.15 -4.87 118.95 115.65 1j1h s ARG 47 Ca 0.16 -0.47 -0.06 0.00 -0.47 0.00 0.00 55.73 54.89 1j1h s ARG 47 Cb -0.10 -2.86 0.06 0.00 -0.57 0.00 0.00 34.95 31.47 1j1h s ARG 47 CO 0.08 0.45 0.15 -0.59 -1.08 0.00 0.00 175.30 174.31 1j1h s PHE 48 N -0.19 3.32 -0.28 5.89 -0.71 -1.26 -3.51 117.98 121.25 1j1h s PHE 48 Ca 0.04 -1.61 0.12 0.00 -1.04 0.00 0.00 56.93 54.44 1j1h s PHE 48 Cb -0.13 -2.58 0.61 0.00 -1.21 0.00 0.00 43.02 39.72 1j1h s PHE 48 CO 0.02 -0.80 1.61 -1.91 -1.34 0.00 0.00 175.22 172.80 1j1h n GLU 49 N 4.80 2.92 -4.24 1.99 2.13 -1.13 -4.91 120.64 122.20 1j1h n GLU 49 Ca -0.10 -3.04 -0.35 0.00 0.66 0.00 0.00 57.16 54.33 1j1h n GLU 49 Cb 0.44 -2.00 -0.04 0.00 0.27 0.00 0.00 31.44 30.11 1j1h n GLU 49 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1j1h n ASP 50 N -0.57 -2.17 0.00 4.31 9.92 -1.26 -4.15 116.55 122.63 1j1h n ASP 50 Ca 0.34 -1.07 0.00 0.00 -0.53 0.00 0.00 54.79 53.52 1j1h n ASP 50 Cb 1.16 -2.51 0.00 0.00 -0.64 0.00 0.00 41.12 39.12 1j1h n ASP 50 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1j1h n GLY 51 N -1.56 0.23 2.84 0.44 0.00 -1.26 -4.97 105.19 100.92 1j1h n GLY 51 Ca -0.02 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 0.78 -0.39 1.61 2.02 -1.26 -4.62 118.70 116.84 1j1h s GLU 52 Ca 0.00 -0.03 -0.01 0.00 0.02 0.00 0.00 54.97 54.96 1j1h s GLU 52 Cb 0.00 -0.94 0.11 0.00 0.10 0.00 0.00 34.13 33.40 1j1h s GLU 52 CO 0.00 -0.19 0.16 -1.17 0.02 0.00 0.00 175.26 174.08 1j1h s LEU 53 N 1.41 5.10 0.00 1.80 0.20 -1.25 -2.85 118.68 123.09 1j1h s LEU 53 Ca -0.03 -2.08 -0.19 0.00 0.69 0.00 0.00 54.13 52.51 1j1h s LEU 53 Cb -0.13 -1.77 -0.06 0.00 -0.43 0.00 0.00 46.19 43.80 1j1h s LEU 53 CO -0.03 -0.49 0.56 -0.31 -0.29 0.00 0.00 176.35 175.79 1j1h s TYR 54 N 1.05 3.70 -0.15 5.38 1.51 -1.23 -1.65 117.35 125.96 1j1h s TYR 54 Ca 0.09 1.16 -0.29 0.00 -1.01 0.00 0.00 57.07 57.02 1j1h s TYR 54 Cb -0.22 -2.54 -0.04 0.00 -0.11 0.00 0.00 41.96 39.05 1j1h s TYR 54 CO -0.05 0.42 1.76 -0.48 -1.11 0.00 0.00 175.55 176.09 1j1h s LEU 55 N -0.42 3.98 -0.05 -1.29 0.05 -1.26 -2.92 118.68 116.77 1j1h s LEU 55 Ca 0.29 1.92 -0.04 0.00 0.05 0.00 0.00 54.13 56.35 1j1h s LEU 55 Cb -0.18 -3.53 -0.01 0.00 -2.05 0.00 0.00 46.19 40.42 1j1h s LEU 55 CO 0.16 -1.28 -0.07 1.21 -0.55 0.00 0.00 176.35 175.83 1j1h n GLU 56 N 7.72 0.17 -0.01 1.48 2.13 0.18 -4.01 120.64 128.31 1j1h n GLU 56 Ca 0.20 0.32 0.14 0.00 0.66 0.00 0.00 57.16 58.48 1j1h n GLU 56 Cb 0.44 -1.06 0.67 0.00 0.27 0.00 0.00 31.44 31.76 1j1h n GLU 56 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1j1h n ASN 57 N -3.13 0.85 -4.56 4.31 4.13 -0.69 -4.74 115.26 111.43 1j1h n ASN 57 Ca -0.03 -1.32 -0.39 0.00 1.68 0.00 0.00 54.58 54.52 1j1h n ASN 57 Cb 0.11 -0.01 -0.03 0.00 -1.54 0.00 0.00 39.78 38.31 1j1h n ASN 57 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1j1h s LEU 58 N -1.94 3.39 -0.35 3.41 0.20 -1.26 -4.59 118.68 117.55 1j1h s LEU 58 Ca 0.41 1.00 -0.21 0.00 0.69 0.00 0.00 54.13 56.02 1j1h s LEU 58 Cb 0.21 -2.77 0.00 0.00 -0.43 0.00 0.00 46.19 43.19 1j1h s LEU 58 CO 0.33 -2.47 0.64 -0.31 -0.29 0.00 0.00 176.35 174.26 1j1h s TYR 59 N 10.13 3.16 -0.46 5.38 1.51 -1.26 -4.86 117.35 130.94 1j1h s TYR 59 Ca 0.87 0.41 -0.19 0.00 -1.01 0.00 0.00 57.07 57.15 1j1h s TYR 59 Cb -0.19 -3.12 0.04 0.00 -0.11 0.00 0.00 41.96 38.58 1j1h s TYR 59 CO 0.27 -0.60 0.56 0.42 -1.11 0.00 0.00 175.55 175.08 1j1h s ILE 60 N 2.71 4.95 -0.41 2.71 1.09 -1.26 -2.07 121.20 128.92 1j1h s ILE 60 Ca 0.25 -0.31 -0.05 0.00 -1.10 0.00 0.00 60.65 59.44 1j1h s ILE 60 Cb -0.14 -4.18 0.10 0.00 -1.06 0.00 0.00 42.46 37.18 1j1h s ILE 60 CO 0.14 -0.61 0.22 0.00 -0.10 0.00 0.00 174.94 174.59 1j1h s ALA 61 N 2.47 3.19 -0.14 9.38 0.00 -0.76 -4.52 121.76 131.39 1j1h s ALA 61 Ca 0.16 -2.43 -0.28 0.00 0.00 0.00 0.00 51.96 49.40 1j1h s ALA 61 Cb -0.17 -2.48 -0.26 0.00 0.00 0.00 0.00 23.12 20.21 1j1h s ALA 61 CO 0.14 -1.76 0.77 -1.00 0.00 0.00 0.00 175.76 173.90 1j1h h PRO 62 N 8.16 0.02 -0.03 0.00 0.13 -1.87 -3.34 132.00 135.06 1j1h h PRO 62 Ca -0.16 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 64.77 1j1h h PRO 62 Cb 1.06 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.03 1j1h h PRO 62 CO 0.72 1.01 -0.35 0.98 -0.23 0.00 0.00 178.00 180.14 1j1h n TYR 63 N -4.58 -1.62 -3.84 1.56 9.36 -1.26 -4.85 117.16 111.93 1j1h n TYR 63 Ca -0.11 -1.64 -0.37 0.00 3.32 0.00 0.00 57.90 59.10 1j1h n TYR 63 Cb 0.50 1.32 -0.06 0.00 -0.63 0.00 0.00 39.34 40.47 1j1h n TYR 63 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 1j1h s GLU 64 N -0.20 3.55 0.00 2.98 -1.05 -1.26 -4.86 118.70 117.86 1j1h s GLU 64 Ca 0.10 -0.10 0.00 0.00 -0.15 0.00 0.00 54.97 54.82 1j1h s GLU 64 Cb 0.40 -3.21 0.00 0.00 -0.44 0.00 0.00 34.13 30.88 1j1h s GLU 64 CO -0.11 0.73 0.00 1.17 0.95 0.00 0.00 175.26 177.99 1j1h n LYS 65 N 2.12 0.00 -0.23 -4.83 3.00 -1.26 -5.08 118.16 111.88 1j1h n LYS 65 Ca -0.19 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 57.95 1j1h n LYS 65 Cb 0.55 0.00 0.16 0.00 0.00 0.00 0.00 35.03 35.74 1j1h n LYS 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1j1h n GLY 66 N -1.10 -3.05 3.61 3.14 0.00 -1.26 -4.84 105.19 101.68 1j1h n GLY 66 Ca 0.00 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 1j1h n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j1h s SER 67 N -2.38 6.74 0.12 1.61 0.01 -1.26 -4.98 113.70 113.56 1j1h s SER 67 Ca 0.37 0.68 -0.00 0.00 1.31 0.00 0.00 55.95 58.30 1j1h s SER 67 Cb -0.06 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1j1h s SER 67 CO 0.31 -0.98 0.16 -1.22 0.41 0.00 0.00 173.24 171.92 1j1h n TYR 68 N 7.10 -0.71 -1.86 2.43 4.01 -1.26 -5.08 117.16 121.79 1j1h n TYR 68 Ca 0.10 -0.82 -0.05 0.00 -0.16 0.00 0.00 57.90 56.98 1j1h n TYR 68 Cb 0.48 0.17 -0.05 0.00 -0.31 0.00 0.00 39.34 39.64 1j1h n TYR 68 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1j1h n ALA 69 N -2.22 2.35 0.00 -0.72 0.00 -1.26 -5.02 120.51 113.63 1j1h n ALA 69 Ca -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1j1h n ALA 69 Cb 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 0.00 0.00 -4.31 0.00 2.85 -1.26 -5.16 115.26 107.38 1j1h n ASN 70 Ca -0.18 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 53.97 1j1h n ASN 70 Cb 0.56 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.42 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 2.23 -0.31 3.44 -7.23 -1.26 -5.09 120.40 112.18 1j1h s VAL 71 Ca 0.00 -1.02 -0.21 0.00 -1.81 0.00 0.00 61.98 58.94 1j1h s VAL 71 Cb 0.00 -1.81 -0.01 0.00 0.56 0.00 0.00 36.38 35.12 1j1h s VAL 71 CO 0.00 0.57 0.66 -1.81 -0.31 0.00 0.00 175.10 174.21 1j1h s ASP 72 N -0.34 6.52 0.00 4.85 1.11 -1.26 -4.98 116.67 122.57 1j1h s ASP 72 Ca 0.02 0.46 0.00 0.00 0.18 0.00 0.00 52.55 53.21 1j1h s ASP 72 Cb -0.12 -2.34 0.00 0.00 1.07 0.00 0.00 42.92 41.52 1j1h s ASP 72 CO 0.02 -0.50 0.12 -0.81 1.18 0.00 0.00 175.17 175.17 1j1h n PRO 73 N 5.94 0.00 0.00 8.23 -0.04 -1.26 -5.04 135.00 142.83 1j1h n PRO 73 Ca -0.00 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1j1h n PRO 73 Cb 0.49 -0.70 0.00 0.00 -0.04 0.00 0.00 33.50 33.24 1j1h n PRO 73 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1j1h n ARG 74 N -0.82 0.00 0.09 0.54 0.63 -1.26 -4.80 116.66 111.04 1j1h n ARG 74 Ca 0.00 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.71 1j1h n ARG 74 Cb 0.00 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 32.77 1j1h n ARG 74 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1j1h h ARG 75 N 0.00 0.51 0.00 -0.14 9.65 -1.97 -3.47 114.38 118.96 1j1h h ARG 75 Ca 0.00 -0.75 0.00 0.00 -1.10 0.00 0.00 59.98 58.13 1j1h h ARG 75 Cb 0.00 0.26 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 1j1h h ARG 75 CO 0.00 1.34 0.00 1.17 2.80 0.00 0.00 179.97 185.28 1j1h n LYS 76 N -3.89 0.00 0.00 0.20 4.81 -1.26 -4.64 118.16 113.38 1j1h n LYS 76 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 1j1h n LYS 76 Cb 0.95 0.00 0.00 0.00 0.02 0.00 0.00 35.03 36.00 1j1h n LYS 76 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1j1h n ARG 77 N 0.00 0.00 0.00 1.64 1.85 -1.26 -4.85 116.66 114.04 1j1h n ARG 77 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1j1h n ARG 77 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1j1h n ARG 77 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1j1h n LYS 78 N 0.00 0.00 -1.65 2.89 4.81 -1.26 -4.53 118.16 118.42 1j1h n LYS 78 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 58.31 56.96 1j1h n LYS 78 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 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 2.71 -4.50 3.14 4.77 -0.66 -4.73 117.00 117.73 1j1h n LEU 79 Ca 0.00 1.09 -0.43 0.00 -0.03 0.00 0.00 56.01 56.64 1j1h n LEU 79 Cb 0.00 -1.35 -0.04 0.00 -2.33 0.00 0.00 43.42 39.69 1j1h n LEU 79 CO 0.00 -0.48 0.74 -0.76 -1.33 0.00 0.00 177.39 175.56 1j1h s LEU 80 N 1.02 4.19 -0.14 2.23 2.01 -1.18 -3.95 118.68 122.84 1j1h s LEU 80 Ca 0.81 -0.55 -0.00 0.00 0.01 0.00 0.00 54.13 54.41 1j1h s LEU 80 Cb -0.76 -2.70 -0.01 0.00 0.01 0.00 0.00 46.19 42.73 1j1h s LEU 80 CO 0.42 -1.29 -0.13 -0.76 1.01 0.00 0.00 176.35 175.60 1j1h s LEU 81 N 3.97 2.67 0.11 1.79 1.43 -1.26 -0.99 118.68 126.41 1j1h s LEU 81 Ca 0.28 -0.37 -0.36 0.00 -1.03 0.00 0.00 54.13 52.65 1j1h s LEU 81 Cb -0.14 -1.61 -0.15 0.00 0.03 0.00 0.00 46.19 44.32 1j1h s LEU 81 CO 0.16 0.13 1.45 1.41 0.23 0.00 0.00 176.35 179.73 1j1h n HIS 82 N 3.77 1.85 0.01 0.29 8.25 -1.26 -4.67 115.22 123.46 1j1h n HIS 82 Ca -0.18 0.48 0.09 0.00 -0.26 0.00 0.00 57.72 57.84 1j1h n HIS 82 Cb 0.52 -2.43 0.51 0.00 1.12 0.00 0.00 29.99 29.71 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 5.19 0.36 -0.88 -0.41 3.11 -1.94 -0.88 116.57 121.13 1j1h h LYS 83 Ca -0.46 -0.02 0.10 0.00 -2.81 0.00 0.00 60.65 57.46 1j1h h LYS 83 Cb 1.30 -0.08 -0.06 0.00 -1.00 0.00 0.00 32.23 32.39 1j1h h LYS 83 CO 0.83 0.24 0.57 1.25 -2.81 0.00 0.00 179.45 179.52 1j1h h HIS 84 N 0.37 0.91 -0.08 1.91 2.76 -1.94 -0.52 115.15 118.56 1j1h h HIS 84 Ca 0.18 0.02 -0.18 0.00 -2.20 0.00 0.00 60.37 58.19 1j1h h HIS 84 Cb 0.25 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 1j1h h HIS 84 CO -0.00 0.41 -0.71 0.93 -1.30 0.00 0.00 177.93 177.26 1j1h h GLU 85 N 0.84 0.40 -0.03 5.26 5.08 -1.50 -3.30 114.58 121.32 1j1h h GLU 85 Ca 0.41 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1j1h h GLU 85 Cb 0.45 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1j1h h GLU 85 CO -0.18 0.95 0.00 1.25 -1.00 0.00 0.00 179.01 180.04 1j1h h LEU 86 N 0.27 -0.01 -0.33 1.33 6.46 -0.63 -3.25 115.31 119.15 1j1h h LEU 86 Ca -0.03 0.01 -0.19 0.00 -0.12 0.00 0.00 57.88 57.55 1j1h h LEU 86 Cb 1.28 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.21 1j1h h LEU 86 CO 0.12 0.00 -0.84 -0.09 -0.62 0.00 0.00 178.44 177.02 1j1h h ARG 87 N 0.02 0.22 -0.08 1.25 2.43 -1.65 -3.29 114.38 113.28 1j1h h ARG 87 Ca 0.02 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 58.95 1j1h h ARG 87 Cb 0.02 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1j1h h ARG 87 CO -0.03 0.94 0.00 -0.09 -1.51 0.00 0.00 179.97 179.28 1j1h h ARG 88 N 0.13 0.14 -0.07 0.20 2.43 -1.63 -2.00 114.38 113.59 1j1h h ARG 88 Ca -0.04 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 58.94 1j1h h ARG 88 Cb 1.45 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.99 1j1h h ARG 88 CO 0.13 0.40 -0.52 1.25 -1.51 0.00 0.00 179.97 179.72 1j1h h LEU 89 N -0.13 0.57 -1.49 3.80 7.12 -1.73 -3.22 115.31 120.23 1j1h h LEU 89 Ca 0.02 -0.68 -0.04 0.00 0.13 0.00 0.00 57.88 57.31 1j1h h LEU 89 Cb 0.33 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.28 1j1h h LEU 89 CO 0.00 1.16 -0.10 0.25 -0.13 0.00 0.00 178.44 179.63 1j1h h LEU 90 N 0.02 0.19 -2.44 2.25 7.12 -1.66 -2.84 115.31 117.95 1j1h h LEU 90 Ca -0.05 -0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.93 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 0.11 0.32 0.11 1.23 -0.13 0.00 0.00 178.44 180.08 1j1h h GLY 91 N 0.65 0.00 1.20 3.75 0.00 -1.36 -2.55 103.07 104.75 1j1h h GLY 91 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.09 1j1h h GLY 91 CO 0.02 0.00 -1.56 0.50 0.00 0.00 0.00 176.54 175.50 1j1h h LYS 92 N 0.00 0.07 0.00 4.80 1.57 -1.67 -3.34 116.57 118.00 1j1h h LYS 92 Ca 0.00 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1j1h h LYS 92 Cb 0.22 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1j1h h LYS 92 CO 0.00 0.78 -0.13 -0.39 -0.57 0.00 0.00 179.45 179.14 1j1h h VAL 93 N 0.02 0.60 0.00 0.50 -1.51 -1.62 -3.08 116.25 111.15 1j1h h VAL 93 Ca -0.24 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 1j1h h VAL 93 Cb 1.97 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 32.48 1j1h h VAL 93 CO 0.11 0.12 0.16 1.21 -1.23 0.00 0.00 177.57 177.94 1j1h n GLU 94 N -3.67 0.08 -4.28 5.19 4.07 -1.24 -3.08 120.64 117.71 1j1h n GLU 94 Ca -0.02 0.54 -0.19 0.00 -0.06 0.00 0.00 57.16 57.43 1j1h n GLU 94 Cb 0.24 -1.92 -0.11 0.00 -0.06 0.00 0.00 31.44 29.59 1j1h n GLU 94 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1j1h s GLN 95 N -3.24 1.14 -0.96 5.31 1.11 -1.17 -4.80 119.66 117.06 1j1h s GLN 95 Ca -0.01 -1.34 -0.05 0.00 0.01 0.00 0.00 55.36 53.96 1j1h s GLN 95 Cb 0.03 -1.04 0.01 0.00 -1.01 0.00 0.00 33.01 31.00 1j1h s GLN 95 CO 0.11 0.20 0.68 1.63 0.01 0.00 0.00 175.29 177.92 1j1h n LYS 96 N 0.31 -4.76 -3.83 2.91 4.01 -1.26 -3.39 118.16 112.14 1j1h n LYS 96 Ca -0.14 0.58 -0.28 0.00 -0.51 0.00 0.00 58.31 57.96 1j1h n LYS 96 Cb 0.58 -4.80 0.01 0.00 -0.51 0.00 0.00 35.03 30.30 1j1h n LYS 96 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1j1h n GLY 97 N -1.45 -0.52 3.93 0.72 0.00 -1.26 -4.48 105.19 102.12 1j1h n GLY 97 Ca -0.02 0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 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 -6.77 4.29 0.09 0.99 1.02 -1.18 -1.52 118.68 115.61 1j1h s LEU 98 Ca 0.18 0.32 0.09 0.00 0.02 0.00 0.00 54.13 54.75 1j1h s LEU 98 Cb -0.07 -3.07 -0.04 0.00 0.02 0.00 0.00 46.19 43.04 1j1h s LEU 98 CO 0.87 0.03 -0.22 0.42 0.02 0.00 0.00 176.35 177.47 1j1h s THR 99 N -1.76 2.57 -0.18 5.49 -4.23 -0.98 -4.69 115.64 111.86 1j1h s THR 99 Ca 0.37 -1.49 -0.04 0.00 -1.18 0.00 0.00 61.69 59.35 1j1h s THR 99 Cb -0.11 -2.12 -0.02 0.00 1.34 0.00 0.00 72.50 71.58 1j1h s THR 99 CO 0.28 0.19 -0.04 -1.48 -0.54 0.00 0.00 174.62 173.03 1j1h s LEU 100 N -1.83 3.06 -0.09 4.79 0.05 -1.26 -2.32 118.68 121.07 1j1h s LEU 100 Ca 0.15 -0.26 -0.05 0.00 0.05 0.00 0.00 54.13 54.02 1j1h s LEU 100 Cb -0.10 -1.75 0.04 0.00 -2.05 0.00 0.00 46.19 42.32 1j1h s LEU 100 CO 0.07 0.08 0.21 0.54 -0.55 0.00 0.00 176.35 176.69 1j1h s VAL 101 N 0.90 -0.03 -0.62 1.48 0.11 -1.26 -3.49 120.40 117.49 1j1h s VAL 101 Ca -0.01 0.11 -0.27 0.00 -2.93 0.00 0.00 61.98 58.88 1j1h s VAL 101 Cb -0.15 -0.32 -0.00 0.00 -1.53 0.00 0.00 36.38 34.39 1j1h s VAL 101 CO 0.01 0.04 1.64 -2.16 -3.33 0.00 0.00 175.10 171.30 1j1h s PRO 102 N 0.85 2.91 -0.02 1.54 0.04 -1.26 -1.59 135.00 137.47 1j1h s PRO 102 Ca -0.06 0.40 -0.09 0.00 0.04 0.00 0.00 61.00 61.29 1j1h s PRO 102 Cb -0.08 -4.28 -0.05 0.00 0.04 0.00 0.00 34.50 30.13 1j1h s PRO 102 CO -0.05 -2.42 0.53 -0.07 0.04 0.00 0.00 177.00 175.03 1j1h h LEU 103 N 14.89 -0.27 -8.70 -3.56 3.38 -0.77 -3.44 115.31 116.84 1j1h h LEU 103 Ca -0.27 0.01 -0.70 0.00 0.09 0.00 0.00 57.88 57.01 1j1h h LEU 103 Cb 1.12 0.07 -0.28 0.00 0.09 0.00 0.00 40.66 41.66 1j1h h LEU 103 CO 1.22 -0.02 -0.86 -0.54 0.09 0.00 0.00 178.44 178.34 1j1h s LYS 104 N -2.68 2.20 0.05 1.13 1.02 -1.15 -2.91 119.74 117.40 1j1h s LYS 104 Ca -0.05 -0.88 0.05 0.00 0.02 0.00 0.00 55.97 55.12 1j1h s LYS 104 Cb 0.00 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 1j1h s LYS 104 CO 0.14 0.57 -0.09 0.42 -0.92 0.00 0.00 175.35 175.47 1j1h s ILE 105 N -0.66 3.45 0.18 2.17 1.01 -1.26 -1.68 121.20 124.41 1j1h s ILE 105 Ca 0.11 -1.01 0.06 0.00 0.00 0.00 0.00 60.65 59.81 1j1h s ILE 105 Cb -0.10 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.78 1j1h s ILE 105 CO -0.00 0.28 -0.13 -0.31 0.00 0.00 0.00 174.94 174.78 1j1h s TYR 106 N -1.08 1.50 0.04 3.97 1.51 0.53 -4.48 117.35 119.35 1j1h s TYR 106 Ca 0.19 -0.65 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 1j1h s TYR 106 Cb -0.11 -0.73 -0.02 0.00 -0.11 0.00 0.00 41.96 40.99 1j1h s TYR 106 CO 0.10 0.23 -0.08 0.12 -1.11 0.00 0.00 175.55 174.81 1j1h s PHE 107 N -3.09 0.70 0.01 2.71 5.36 -1.26 -1.28 117.98 121.13 1j1h s PHE 107 Ca 0.19 -0.47 -0.24 0.00 -0.96 0.00 0.00 56.93 55.45 1j1h s PHE 107 Cb 0.00 -0.42 0.05 0.00 -0.34 0.00 0.00 43.02 42.32 1j1h s PHE 107 CO 0.04 -0.07 0.53 1.21 -1.46 0.00 0.00 175.22 175.47 1j1h s ASN 108 N -1.51 -0.47 0.08 6.13 3.84 0.36 -4.84 114.94 118.54 1j1h s ASN 108 Ca -0.09 0.31 0.27 0.00 0.21 0.00 0.00 52.86 53.56 1j1h s ASN 108 Cb -0.10 0.48 1.04 0.00 -0.55 0.00 0.00 41.25 42.13 1j1h s ASN 108 CO 0.00 -0.65 1.84 1.21 -2.79 0.00 0.00 177.10 176.71 1j1h n GLU 109 N 0.66 0.09 0.00 0.43 2.13 -1.26 -3.29 120.64 119.41 1j1h n GLU 109 Ca -0.19 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.74 1j1h n GLU 109 Cb 0.59 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.68 1j1h n GLU 109 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1j1h n ARG 110 N -1.78 0.96 -2.09 5.31 0.63 -1.26 -4.71 116.66 113.73 1j1h n ARG 110 Ca 0.06 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.95 1j1h n ARG 110 Cb 0.35 -1.40 -0.00 0.00 0.45 0.00 0.00 32.46 31.86 1j1h n ARG 110 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j1h n GLY 111 N 0.09 0.24 2.82 5.14 0.00 -1.21 -4.96 105.19 107.30 1j1h n GLY 111 Ca 0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.20 1.89 -0.08 1.61 1.51 -1.21 -4.17 117.35 114.70 1j1h s TYR 112 Ca 0.00 -1.61 0.04 0.00 -1.01 0.00 0.00 57.07 54.49 1j1h s TYR 112 Cb -0.00 -1.59 0.00 0.00 -0.11 0.00 0.00 41.96 40.26 1j1h s TYR 112 CO 0.00 -0.78 -0.21 0.00 -1.11 0.00 0.00 175.55 173.45 1j1h s ALA 113 N 1.56 1.90 -0.18 3.71 0.00 -0.45 -0.48 121.76 127.82 1j1h s ALA 113 Ca 0.03 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.08 1j1h s ALA 113 Cb -0.18 -0.71 -0.05 0.00 0.00 0.00 0.00 23.12 22.19 1j1h s ALA 113 CO -0.14 0.26 0.12 0.15 0.00 0.00 0.00 175.76 176.15 1j1h s LYS 114 N 0.33 3.95 0.07 0.00 -0.14 -0.41 -1.33 119.74 122.21 1j1h s LYS 114 Ca -0.15 -0.22 0.09 0.00 -1.36 0.00 0.00 55.97 54.33 1j1h s LYS 114 Cb -0.16 -3.32 -0.03 0.00 -1.68 0.00 0.00 37.83 32.64 1j1h s LYS 114 CO 0.07 0.42 -0.25 0.08 -0.76 0.00 0.00 175.35 174.90 1j1h s VAL 115 N 0.00 2.07 -0.08 3.17 1.01 -1.09 0.20 120.40 125.69 1j1h s VAL 115 Ca 0.09 -1.45 0.00 0.00 0.00 0.00 0.00 61.98 60.62 1j1h s VAL 115 Cb -0.11 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.49 1j1h s VAL 115 CO -0.00 0.26 -0.07 -0.22 0.00 0.00 0.00 175.10 175.07 1j1h s LEU 116 N -1.44 1.22 -0.01 3.92 0.20 -0.68 -1.19 118.68 120.70 1j1h s LEU 116 Ca 0.11 -0.22 -0.04 0.00 0.69 0.00 0.00 54.13 54.67 1j1h s LEU 116 Cb -0.10 -0.68 -0.04 0.00 -0.43 0.00 0.00 46.19 44.94 1j1h s LEU 116 CO 0.03 -0.08 0.20 -0.22 -0.29 0.00 0.00 176.35 175.98 1j1h s LEU 117 N 1.33 4.37 -0.22 -0.68 0.20 -0.70 -0.03 118.68 122.94 1j1h s LEU 117 Ca -0.03 0.39 0.01 0.00 0.69 0.00 0.00 54.13 55.18 1j1h s LEU 117 Cb -0.14 -2.60 0.06 0.00 -0.43 0.00 0.00 46.19 43.08 1j1h s LEU 117 CO -0.03 0.27 -0.06 -0.83 -0.29 0.00 0.00 176.35 175.41 1j1h s GLY 118 N -1.85 1.24 -0.12 7.98 0.00 -0.62 -2.82 107.32 111.14 1j1h s GLY 118 Ca 0.27 -1.27 -0.30 0.00 0.00 0.00 0.00 44.72 43.43 1j1h s GLY 118 CO 0.17 0.90 1.18 -2.27 0.00 0.00 0.00 173.10 173.09 1j1h s LEU 119 N 1.43 4.22 -0.10 0.66 2.96 -0.21 -4.03 118.68 123.61 1j1h s LEU 119 Ca -0.04 1.69 0.00 0.00 -0.22 0.00 0.00 54.13 55.56 1j1h s LEU 119 Cb -0.18 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 1j1h s LEU 119 CO -0.07 -0.64 -0.11 0.00 -1.32 0.00 0.00 176.35 174.21 1j1h s ALA 120 N 2.73 2.73 -0.39 5.97 0.00 -0.98 -0.20 121.76 131.62 1j1h s ALA 120 Ca 0.53 -0.90 -0.17 0.00 0.00 0.00 0.00 51.96 51.42 1j1h s ALA 120 Cb -0.22 -1.20 0.01 0.00 0.00 0.00 0.00 23.12 21.71 1j1h s ALA 120 CO 0.17 0.36 0.41 -0.98 0.00 0.00 0.00 175.76 175.73 1j1h s ARG 121 N -0.07 3.27 0.00 0.00 1.70 -1.26 -2.33 118.95 120.26 1j1h s ARG 121 Ca -0.01 -0.63 0.00 0.00 -0.47 0.00 0.00 55.73 54.62 1j1h s ARG 121 Cb -0.14 -3.91 0.00 0.00 -0.57 0.00 0.00 34.95 30.34 1j1h s ARG 121 CO 0.03 -0.73 0.00 0.41 -1.08 0.00 0.00 175.30 173.93 1j1h n GLY 122 N 5.05 0.17 3.42 3.88 0.00 -1.25 -5.01 105.19 111.44 1j1h n GLY 122 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1j1h n GLY 122 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49