#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ib1 n GLY 19 N 0.00 0.96 3.04 0.46 0.00 -1.26 -2.51 105.19 105.88 1ib1 n GLY 19 Ca 0.00 0.83 -0.34 0.00 0.00 0.00 0.00 46.02 46.51 1ib1 n GLY 19 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ib1 s ILE 20 N 7.65 3.33 0.14 -0.61 -1.09 -1.26 -4.83 121.20 124.53 1ib1 s ILE 20 Ca 1.02 -3.13 -0.35 0.00 -2.23 0.00 0.00 60.65 55.96 1ib1 s ILE 20 Cb -0.49 -3.21 -0.16 0.00 -1.58 0.00 0.00 42.46 37.02 1ib1 s ILE 20 CO 0.40 -0.86 1.31 -2.65 -1.23 0.00 0.00 174.94 171.91 1ib1 n PRO 21 N 3.30 1.33 0.00 2.79 -0.02 -1.26 -0.91 135.00 140.23 1ib1 n PRO 21 Ca 0.07 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1ib1 n PRO 21 Cb 0.36 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1ib1 n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ib1 n GLY 22 N 2.40 2.72 2.71 -1.23 0.00 -1.26 -4.95 105.19 105.58 1ib1 n GLY 22 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1ib1 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ib1 s SER 23 N -1.56 3.55 0.21 1.61 0.01 -0.09 -5.03 113.70 112.40 1ib1 s SER 23 Ca 0.00 -2.91 -0.14 0.00 1.31 0.00 0.00 55.95 54.21 1ib1 s SER 23 Cb 0.00 -1.07 0.22 0.00 0.21 0.00 0.00 66.02 65.38 1ib1 s SER 23 CO 0.00 -0.22 1.63 -0.65 0.41 0.00 0.00 173.24 174.40 1ib1 h PRO 24 N 6.34 -0.01 -0.08 12.44 0.11 -1.93 -3.03 132.00 145.84 1ib1 h PRO 24 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1ib1 h PRO 24 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1ib1 h PRO 24 CO 0.51 -0.01 0.00 0.41 -0.21 0.00 0.00 178.00 178.70 1ib1 n GLY 25 N -1.43 0.75 3.81 -0.55 0.00 -1.26 -4.93 105.19 101.58 1ib1 n GLY 25 Ca 0.07 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 1ib1 n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ib1 s ARG 26 N -1.92 4.24 -0.12 1.61 3.00 -1.15 -5.07 118.95 119.54 1ib1 s ARG 26 Ca 0.33 0.79 -0.10 0.00 0.00 0.00 0.00 55.73 56.75 1ib1 s ARG 26 Cb 0.20 -3.19 -0.05 0.00 0.00 0.00 0.00 34.95 31.91 1ib1 s ARG 26 CO 0.31 0.60 0.19 1.14 0.00 0.00 0.00 175.30 177.55 1ib1 s GLN 27 N -1.24 3.75 0.39 3.54 -2.07 -1.26 -4.48 119.66 118.29 1ib1 s GLN 27 Ca 0.32 -0.04 -0.25 0.00 -1.82 0.00 0.00 55.36 53.56 1ib1 s GLN 27 Cb -0.20 -3.27 -0.09 0.00 -1.09 0.00 0.00 33.01 28.37 1ib1 s GLN 27 CO 0.20 0.61 1.11 0.50 -1.32 0.00 0.00 175.29 176.40 1ib1 s ARG 28 N -0.59 4.12 0.85 9.60 3.52 -1.04 -5.01 118.95 130.40 1ib1 s ARG 28 Ca 0.15 1.70 -0.12 0.00 -0.13 0.00 0.00 55.73 57.33 1ib1 s ARG 28 Cb -0.13 -2.64 0.11 0.00 -1.56 0.00 0.00 34.95 30.73 1ib1 s ARG 28 CO 0.04 -0.23 1.17 -0.98 -0.81 0.00 0.00 175.30 174.49 1ib1 s ARG 29 N -2.34 1.39 0.57 5.12 1.04 -1.26 -5.00 118.95 118.47 1ib1 s ARG 29 Ca 0.57 1.61 0.09 0.00 -1.04 0.00 0.00 55.73 56.97 1ib1 s ARG 29 Cb -0.27 -1.76 0.08 0.00 -2.04 0.00 0.00 34.95 30.96 1ib1 s ARG 29 CO 0.34 -2.37 0.77 -1.01 -0.04 0.00 0.00 175.30 172.99 1ib1 s HIS 30 N -2.45 1.46 -0.07 5.89 3.76 -1.26 -5.14 115.29 117.48 1ib1 s HIS 30 Ca 0.69 -0.72 -0.30 0.00 -0.15 0.00 0.00 55.06 54.58 1ib1 s HIS 30 Cb -0.25 -2.20 -0.02 0.00 1.11 0.00 0.00 32.58 31.22 1ib1 s HIS 30 CO 0.54 -1.11 1.08 -1.17 -0.85 0.00 0.00 174.74 173.24 1ib1 s LEU 32 N -4.64 4.28 0.00 0.89 1.98 -1.26 -5.31 118.68 114.61 1ib1 s LEU 32 Ca 0.60 1.67 -0.05 0.00 -2.89 0.00 0.00 54.13 53.46 1ib1 s LEU 32 Cb -0.06 -3.56 0.08 0.00 0.66 0.00 0.00 46.19 43.31 1ib1 s LEU 32 CO 0.38 -0.48 0.40 -0.81 -1.89 0.00 0.00 176.35 173.95 1ib1 n PRO 33 N 4.92 -0.69 -3.35 0.98 -0.04 -1.26 -5.09 135.00 130.47 1ib1 n PRO 33 Ca 0.09 -0.62 -0.21 0.00 -0.04 0.00 0.00 63.50 62.72 1ib1 n PRO 33 Cb 0.48 -0.45 -0.08 0.00 -0.04 0.00 0.00 33.50 33.41 1ib1 n PRO 33 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ib1 s ALA 34 N -3.77 0.07 0.06 0.55 0.00 -1.26 -4.57 121.76 112.84 1ib1 s ALA 34 Ca 0.23 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1ib1 s ALA 34 Cb -0.01 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.19 1ib1 s ALA 34 CO 0.17 -2.12 0.00 0.09 0.00 0.00 0.00 175.76 173.90 1ib1 n ASN 35 N 3.89 -7.96 -3.83 0.00 4.13 -1.24 -4.86 115.26 105.39 1ib1 n ASN 35 Ca 0.15 1.38 -0.09 0.00 1.68 0.00 0.00 54.58 57.70 1ib1 n ASN 35 Cb 0.44 -4.36 -0.04 0.00 -1.54 0.00 0.00 39.78 34.29 1ib1 n ASN 35 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1ib1 s GLU 36 N -0.96 1.48 -0.13 3.52 -1.05 -0.70 -4.95 118.70 115.91 1ib1 s GLU 36 Ca 0.00 -1.00 0.02 0.00 -0.15 0.00 0.00 54.97 53.84 1ib1 s GLU 36 Cb 0.00 0.52 -0.00 0.00 -0.44 0.00 0.00 34.13 34.20 1ib1 s GLU 36 CO 0.00 -0.63 -0.18 -0.06 0.95 0.00 0.00 175.26 175.34 1ib1 s PHE 37 N -3.92 2.71 0.05 4.83 0.40 -1.26 -1.09 117.98 119.70 1ib1 s PHE 37 Ca 0.13 -1.00 -0.02 0.00 -0.60 0.00 0.00 56.93 55.44 1ib1 s PHE 37 Cb -0.02 -1.82 -0.04 0.00 0.51 0.00 0.00 43.02 41.66 1ib1 s PHE 37 CO 0.02 -0.42 -0.01 1.03 0.70 0.00 0.00 175.22 176.53 1ib1 s ARG 38 N 0.58 0.62 0.32 0.44 0.52 -0.91 -4.97 118.95 115.56 1ib1 s ARG 38 Ca -0.11 -1.19 -0.27 0.00 -0.52 0.00 0.00 55.73 53.65 1ib1 s ARG 38 Cb -0.16 0.22 -0.09 0.00 0.52 0.00 0.00 34.95 35.43 1ib1 s ARG 38 CO 0.03 -0.12 1.02 0.00 0.02 0.00 0.00 175.30 176.25 1ib1 s LEU 40 N -1.95 3.46 0.29 0.00 1.43 -1.26 -4.87 118.68 115.78 1ib1 s LEU 40 Ca 0.50 1.50 0.09 0.00 -1.03 0.00 0.00 54.13 55.19 1ib1 s LEU 40 Cb -0.24 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.45 1ib1 s LEU 40 CO 0.31 -0.71 0.02 0.42 0.23 0.00 0.00 176.35 176.63 1ib1 s THR 41 N -2.86 3.27 0.57 5.49 -4.23 -1.26 -4.79 115.64 111.83 1ib1 s THR 41 Ca 0.57 -1.88 0.28 0.00 -1.18 0.00 0.00 61.69 59.47 1ib1 s THR 41 Cb -0.10 -2.86 0.38 0.00 1.34 0.00 0.00 72.50 71.26 1ib1 s THR 41 CO 0.41 -0.32 1.99 -0.65 -0.54 0.00 0.00 174.62 175.51 1ib1 h PRO 42 N 1.82 0.00 0.00 3.99 0.11 -1.90 0.20 132.00 136.22 1ib1 h PRO 42 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1ib1 h PRO 42 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1ib1 h PRO 42 CO 0.62 0.00 -0.07 0.93 -0.21 0.00 0.00 178.00 179.27 1ib1 h GLU 43 N 0.00 0.00 -0.01 1.05 3.07 -1.96 -2.66 114.58 114.06 1ib1 h GLU 43 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1ib1 h GLU 43 Cb 0.92 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1ib1 h GLU 43 CO -0.00 0.07 0.00 -0.25 -1.40 0.00 0.00 179.01 177.42 1ib1 n ASP 44 N -3.18 0.35 -0.26 1.42 8.00 0.71 -4.11 116.55 119.47 1ib1 n ASP 44 Ca 0.01 -1.23 -0.06 0.00 0.71 0.00 0.00 54.79 54.22 1ib1 n ASP 44 Cb 0.35 -0.01 0.05 0.00 -0.02 0.00 0.00 41.12 41.50 1ib1 n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ib1 h ALA 45 N 3.96 0.94 -0.94 2.24 0.00 -1.57 -2.72 119.26 121.16 1ib1 h ALA 45 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1ib1 h ALA 45 Cb 0.11 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1ib1 h ALA 45 CO 0.00 0.55 0.56 0.00 0.00 0.00 0.00 179.25 180.36 1ib1 h ALA 46 N 1.14 1.20 0.00 0.00 0.00 -1.83 -1.59 119.26 118.18 1ib1 h ALA 46 Ca 0.24 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1ib1 h ALA 46 Cb 0.21 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1ib1 h ALA 46 CO -0.02 0.67 -0.24 0.78 0.00 0.00 0.00 179.25 180.43 1ib1 h GLY 47 N 1.30 0.00 0.38 0.00 0.00 -1.79 -1.72 103.07 101.24 1ib1 h GLY 47 Ca 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 1ib1 h GLY 47 CO -0.06 0.00 -0.10 -2.08 0.00 0.00 0.00 176.54 174.30 1ib1 h VAL 48 N 0.00 0.67 -0.12 4.60 2.07 -1.01 -3.11 116.25 119.35 1ib1 h VAL 48 Ca -0.00 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.55 1ib1 h VAL 48 Cb 0.55 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1ib1 h VAL 48 CO 0.03 0.17 0.11 0.15 0.02 0.00 0.00 177.57 178.05 1ib1 h PHE 49 N -0.91 0.00 0.00 1.57 3.57 -1.24 0.57 116.94 120.50 1ib1 h PHE 49 Ca -0.03 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.35 1ib1 h PHE 49 Cb 0.50 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1ib1 h PHE 49 CO 0.07 0.00 -0.58 1.49 -2.23 0.00 0.00 178.31 177.06 1ib1 h GLU 50 N 0.00 0.00 0.14 1.11 4.57 -1.35 0.20 114.58 119.25 1ib1 h GLU 50 Ca 0.06 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.95 1ib1 h GLU 50 Cb 0.27 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1ib1 h GLU 50 CO -0.00 0.58 -1.29 0.82 -1.18 0.00 0.00 179.01 177.94 1ib1 h ILE 51 N 0.00 1.45 -0.13 2.32 2.04 -0.94 -3.23 117.51 119.03 1ib1 h ILE 51 Ca -0.01 -3.01 -0.08 0.00 1.00 0.00 0.00 64.86 62.77 1ib1 h ILE 51 Cb 1.09 2.94 -0.01 0.00 -0.74 0.00 0.00 36.82 40.10 1ib1 h ILE 51 CO 0.08 0.88 -0.28 -0.33 0.00 0.00 0.00 178.15 178.50 1ib1 h GLU 52 N 0.08 0.23 0.67 2.37 5.08 -0.68 0.30 114.58 122.63 1ib1 h GLU 52 Ca -0.16 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 1ib1 h GLU 52 Cb 2.00 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 31.24 1ib1 h GLU 52 CO 0.21 0.50 -0.32 -0.09 -1.00 0.00 0.00 179.01 178.30 1ib1 h ARG 53 N 0.21 -0.87 0.77 2.33 2.43 -0.98 0.56 114.38 118.82 1ib1 h ARG 53 Ca 0.03 0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1ib1 h ARG 53 Cb 0.60 0.20 0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1ib1 h ARG 53 CO 0.04 -0.58 -0.37 1.49 -1.51 0.00 0.00 179.97 179.05 1ib1 h GLU 54 N -0.92 -0.99 -0.66 0.20 4.22 -1.52 -1.59 114.58 113.32 1ib1 h GLU 54 Ca -0.09 0.07 -0.06 0.00 0.08 0.00 0.00 59.36 59.36 1ib1 h GLU 54 Cb 0.70 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 1ib1 h GLU 54 CO 0.15 -0.66 0.19 0.00 -2.18 0.00 0.00 179.01 176.51 1ib1 h ALA 55 N -0.82 1.08 0.00 2.92 0.00 -0.43 -3.33 119.26 118.68 1ib1 h ALA 55 Ca -0.11 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1ib1 h ALA 55 Cb 0.80 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1ib1 h ALA 55 CO 0.17 0.62 -1.37 1.19 0.00 0.00 0.00 179.25 179.86 1ib1 n PHE 56 N -4.26 0.00 0.21 0.00 3.72 0.09 -4.71 117.46 112.52 1ib1 n PHE 56 Ca 0.05 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.50 1ib1 n PHE 56 Cb 0.23 -0.27 0.49 0.00 -0.94 0.00 0.00 39.48 38.99 1ib1 n PHE 56 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1ib1 h ILE 57 N -0.28 1.14 0.00 4.37 2.04 -0.75 -2.31 117.51 121.72 1ib1 h ILE 57 Ca -0.19 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 64.99 1ib1 h ILE 57 Cb 1.12 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1ib1 h ILE 57 CO -0.11 0.19 -0.21 0.77 0.00 0.00 0.00 178.15 178.78 1ib1 h SER 58 N 0.02 0.00 0.00 1.72 4.64 -1.40 -0.40 113.55 118.13 1ib1 h SER 58 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 1ib1 h SER 58 Cb 0.33 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.38 1ib1 h SER 58 CO 0.02 0.21 -1.54 0.52 -0.87 0.00 0.00 176.83 175.18 1ib1 n VAL 59 N -3.21 1.51 0.76 0.95 0.31 -1.10 -4.68 118.33 112.87 1ib1 n VAL 59 Ca 0.02 -0.08 0.09 0.00 -0.01 0.00 0.00 64.34 64.35 1ib1 n VAL 59 Cb 0.55 -2.09 -0.11 0.00 -0.91 0.00 0.00 33.84 31.28 1ib1 n VAL 59 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1ib1 n SER 60 N -4.40 0.84 0.00 4.52 3.41 -0.89 -4.96 113.62 112.13 1ib1 n SER 60 Ca -0.33 -0.83 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 1ib1 n SER 60 Cb 0.66 1.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.70 1ib1 n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ib1 n GLY 61 N 1.43 0.58 3.20 5.00 0.00 -0.16 -5.00 105.19 110.25 1ib1 n GLY 61 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 1ib1 n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ib1 s ASN 62 N -2.23 1.18 0.01 1.61 0.01 -1.26 -4.88 114.94 109.38 1ib1 s ASN 62 Ca 0.00 -1.08 -0.15 0.00 -0.71 0.00 0.00 52.86 50.93 1ib1 s ASN 62 Cb 0.00 0.10 0.02 0.00 0.41 0.00 0.00 41.25 41.79 1ib1 s ASN 62 CO 0.00 -0.51 0.32 0.00 -1.51 0.00 0.00 177.10 175.40 1ib1 h PRO 64 N 3.54 -0.24 -4.01 0.00 0.11 -1.95 -3.43 132.00 126.01 1ib1 h PRO 64 Ca -0.31 0.02 -0.33 0.00 0.11 0.00 0.00 66.00 65.49 1ib1 h PRO 64 Cb 1.19 0.05 -0.31 0.00 0.11 0.00 0.00 31.00 32.04 1ib1 h PRO 64 CO 0.43 -0.16 -0.75 -0.51 -0.21 0.00 0.00 178.00 176.80 1ib1 s LEU 65 N -10.54 1.64 0.59 2.35 1.43 -1.26 -5.03 118.68 107.86 1ib1 s LEU 65 Ca -0.15 -0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 52.83 1ib1 s LEU 65 Cb 0.13 -0.25 0.01 0.00 0.03 0.00 0.00 46.19 46.11 1ib1 s LEU 65 CO 0.68 -0.01 0.91 0.54 0.23 0.00 0.00 176.35 178.69 1ib1 s ASN 66 N 0.40 5.59 0.26 2.29 2.20 -1.26 -4.74 114.94 119.67 1ib1 s ASN 66 Ca -0.04 0.73 -0.08 0.00 -0.94 0.00 0.00 52.86 52.53 1ib1 s ASN 66 Cb -0.07 -1.71 0.44 0.00 -2.00 0.00 0.00 41.25 37.91 1ib1 s ASN 66 CO -0.01 -1.07 1.60 0.25 -2.94 0.00 0.00 177.10 174.93 1ib1 h LEU 67 N -0.19 -0.61 0.04 3.54 5.85 -1.96 0.75 115.31 122.73 1ib1 h LEU 67 Ca -0.45 0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.52 1ib1 h LEU 67 Cb 1.26 0.47 -0.02 0.00 0.37 0.00 0.00 40.66 42.73 1ib1 h LEU 67 CO 0.61 -0.26 -0.12 -0.78 -0.34 0.00 0.00 178.44 177.55 1ib1 h ASP 68 N 0.03 -0.32 -0.83 1.25 3.58 -1.98 0.83 116.42 118.98 1ib1 h ASP 68 Ca 0.44 0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.94 1ib1 h ASP 68 Cb 0.74 0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.88 1ib1 h ASP 68 CO -0.82 -0.17 0.55 -0.33 -2.88 0.00 0.00 179.24 175.59 1ib1 h GLU 69 N -0.22 1.09 -0.09 0.28 5.08 -1.40 0.37 114.58 119.68 1ib1 h GLU 69 Ca 0.03 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1ib1 h GLU 69 Cb 0.25 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ib1 h GLU 69 CO -0.09 0.72 -0.01 0.28 -1.00 0.00 0.00 179.01 178.91 1ib1 h VAL 70 N 1.12 1.27 -0.89 3.13 2.07 -0.52 -2.76 116.25 119.66 1ib1 h VAL 70 Ca 0.30 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.99 1ib1 h VAL 70 Cb -0.13 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1ib1 h VAL 70 CO -0.07 0.24 0.59 1.56 0.02 0.00 0.00 177.57 179.92 1ib1 h GLN 71 N -0.13 1.16 0.51 1.57 4.20 -0.45 -2.24 115.11 119.73 1ib1 h GLN 71 Ca 0.03 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1ib1 h GLN 71 Cb 0.38 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1ib1 h GLN 71 CO 0.01 0.76 -0.46 1.25 -0.67 0.00 0.00 178.83 179.72 1ib1 h HIS 72 N 1.19 -1.25 -0.37 2.96 2.76 -0.76 -1.81 115.15 117.87 1ib1 h HIS 72 Ca 0.33 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.53 1ib1 h HIS 72 Cb -0.10 0.48 -0.02 0.00 1.55 0.00 0.00 27.41 29.31 1ib1 h HIS 72 CO -0.00 -0.63 0.25 0.74 -1.30 0.00 0.00 177.93 176.98 1ib1 h PHE 73 N -0.96 0.41 0.00 5.26 0.04 -1.30 0.31 116.94 120.70 1ib1 h PHE 73 Ca -0.06 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.70 1ib1 h PHE 73 Cb 0.83 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.84 1ib1 h PHE 73 CO -0.21 0.25 -0.12 -0.07 -0.60 0.00 0.00 178.31 177.56 1ib1 h LEU 74 N 0.44 0.00 0.10 1.54 3.38 -1.06 0.20 115.31 119.90 1ib1 h LEU 74 Ca 0.14 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.77 1ib1 h LEU 74 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1ib1 h LEU 74 CO -0.03 0.12 -1.88 0.41 0.09 0.00 0.00 178.44 177.15 1ib1 n THR 75 N -3.21 1.73 -0.00 0.22 -1.04 -0.71 -3.50 114.28 107.76 1ib1 n THR 75 Ca 0.01 -0.53 -0.13 0.00 -2.04 0.00 0.00 64.05 61.36 1ib1 n THR 75 Cb 0.43 -1.79 -0.10 0.00 -1.82 0.00 0.00 70.33 67.05 1ib1 n THR 75 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1ib1 h LEU 76 N -0.15 -0.04 -5.95 -4.42 6.46 -0.94 -3.41 115.31 106.86 1ib1 h LEU 76 Ca -0.42 -0.52 -0.52 0.00 -0.12 0.00 0.00 57.88 56.30 1ib1 h LEU 76 Cb 1.89 0.01 -0.38 0.00 -0.73 0.00 0.00 40.66 41.45 1ib1 h LEU 76 CO 0.02 0.51 -1.11 0.00 -0.62 0.00 0.00 178.44 177.24 1ib1 h PRO 78 N 3.68 0.00 0.00 0.00 0.13 -1.59 -1.37 132.00 132.85 1ib1 h PRO 78 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1ib1 h PRO 78 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1ib1 h PRO 78 CO 0.46 0.03 0.00 -0.85 -0.23 0.00 0.00 178.00 177.41 1ib1 n GLU 79 N -3.91 0.03 -0.81 0.86 0.00 -1.26 -1.40 120.64 114.15 1ib1 n GLU 79 Ca -0.03 0.31 0.07 0.00 0.00 0.00 0.00 57.16 57.52 1ib1 n GLU 79 Cb 0.11 -1.56 0.38 0.00 0.00 0.00 0.00 31.44 30.37 1ib1 n GLU 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1ib1 n LEU 80 N -1.62 5.39 -4.34 -1.84 4.77 -0.52 -4.88 117.00 113.97 1ib1 n LEU 80 Ca 0.03 -2.93 -0.18 0.00 -0.03 0.00 0.00 56.01 52.90 1ib1 n LEU 80 Cb 0.15 -0.66 -0.10 0.00 -2.33 0.00 0.00 43.42 40.49 1ib1 n LEU 80 CO 0.13 0.65 -0.42 -0.94 -1.33 0.00 0.00 177.39 175.47 1ib1 s SER 81 N -0.99 2.42 -0.28 -1.43 1.04 -0.49 -1.73 113.70 112.24 1ib1 s SER 81 Ca 0.52 -1.05 -0.21 0.00 0.48 0.00 0.00 55.95 55.69 1ib1 s SER 81 Cb 0.40 -0.11 0.10 0.00 0.10 0.00 0.00 66.02 66.51 1ib1 s SER 81 CO 0.15 -0.24 0.81 -0.22 0.98 0.00 0.00 173.24 174.73 1ib1 s LEU 82 N -3.31 -0.71 0.05 2.42 2.96 -0.79 -4.34 118.68 114.96 1ib1 s LEU 82 Ca 0.23 1.25 0.04 0.00 -0.22 0.00 0.00 54.13 55.43 1ib1 s LEU 82 Cb 0.01 2.21 -0.02 0.00 0.50 0.00 0.00 46.19 48.89 1ib1 s LEU 82 CO 0.07 -0.21 -0.11 -0.83 -1.32 0.00 0.00 176.35 173.95 1ib1 s GLY 83 N 0.86 0.65 -0.30 7.98 0.00 -0.23 -1.47 107.32 114.82 1ib1 s GLY 83 Ca -0.04 -0.83 -0.17 0.00 0.00 0.00 0.00 44.72 43.68 1ib1 s GLY 83 CO -0.09 -0.86 0.47 0.86 0.00 0.00 0.00 173.10 173.48 1ib1 s TRP 84 N -1.22 3.23 -0.34 1.90 -0.11 0.15 -2.13 118.94 120.41 1ib1 s TRP 84 Ca -0.05 0.40 -0.10 0.00 1.22 0.00 0.00 56.10 57.57 1ib1 s TRP 84 Cb -0.09 -2.75 0.02 0.00 -1.50 0.00 0.00 33.47 29.14 1ib1 s TRP 84 CO 0.01 -0.36 0.17 -0.06 -4.62 0.00 0.00 176.95 172.09 1ib1 s PHE 85 N 2.27 3.22 -0.57 5.86 0.40 -0.25 -1.96 117.98 126.95 1ib1 s PHE 85 Ca 0.18 -0.88 -0.23 0.00 -0.60 0.00 0.00 56.93 55.41 1ib1 s PHE 85 Cb -0.16 -2.38 0.05 0.00 0.51 0.00 0.00 43.02 41.04 1ib1 s PHE 85 CO 0.11 -0.59 0.90 0.08 0.70 0.00 0.00 175.22 176.42 1ib1 s VAL 86 N 1.56 4.45 -1.55 -0.44 1.01 0.12 -1.72 120.40 123.82 1ib1 s VAL 86 Ca 0.03 -0.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 1ib1 s VAL 86 Cb -0.18 -4.54 0.07 0.00 0.00 0.00 0.00 36.38 31.73 1ib1 s VAL 86 CO 0.06 -1.15 0.55 -0.62 0.00 0.00 0.00 175.10 173.94 1ib1 n GLU 87 N 7.31 -3.07 -0.06 2.72 1.02 -1.26 -0.73 120.64 126.56 1ib1 n GLU 87 Ca -0.01 0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1ib1 n GLU 87 Cb 0.47 -4.71 0.00 0.00 -0.02 0.00 0.00 31.44 27.17 1ib1 n GLU 87 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ib1 n GLY 88 N -1.77 0.82 3.62 0.62 0.00 -1.26 -4.75 105.19 102.47 1ib1 n GLY 88 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1ib1 n GLY 88 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ib1 s ARG 89 N -0.71 3.98 -0.29 1.61 3.52 0.09 -5.06 118.95 122.09 1ib1 s ARG 89 Ca 0.00 -0.33 -0.29 0.00 -0.13 0.00 0.00 55.73 54.98 1ib1 s ARG 89 Cb 0.00 -3.33 0.01 0.00 -1.56 0.00 0.00 34.95 30.07 1ib1 s ARG 89 CO 0.00 0.16 1.15 -1.17 -0.81 0.00 0.00 175.30 174.64 1ib1 s LEU 90 N 0.70 3.96 0.00 -0.88 2.96 -1.26 0.11 118.68 124.26 1ib1 s LEU 90 Ca 0.05 1.18 0.01 0.00 -0.22 0.00 0.00 54.13 55.15 1ib1 s LEU 90 Cb -0.13 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.02 1ib1 s LEU 90 CO 0.02 -0.91 0.20 1.33 -1.32 0.00 0.00 176.35 175.67 1ib1 n VAL 91 N 5.87 0.00 -3.63 1.68 0.24 -0.83 -4.97 118.33 116.69 1ib1 n VAL 91 Ca 0.13 -0.49 -0.14 0.00 -2.04 0.00 0.00 64.34 61.80 1ib1 n VAL 91 Cb 0.47 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.77 1ib1 n VAL 91 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ib1 s ALA 92 N -0.70 -1.77 0.21 2.33 0.00 -1.22 0.08 121.76 120.69 1ib1 s ALA 92 Ca 0.00 2.02 -0.04 0.00 0.00 0.00 0.00 51.96 53.94 1ib1 s ALA 92 Cb 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 1ib1 s ALA 92 CO 0.02 -0.34 0.21 -0.59 0.00 0.00 0.00 175.76 175.06 1ib1 s PHE 93 N 0.41 0.93 -0.17 0.00 -0.12 -0.71 -0.67 117.98 117.64 1ib1 s PHE 93 Ca -0.00 -1.19 -0.05 0.00 -0.05 0.00 0.00 56.93 55.64 1ib1 s PHE 93 Cb -0.05 -0.36 0.09 0.00 -0.63 0.00 0.00 43.02 42.07 1ib1 s PHE 93 CO 0.00 -0.72 0.32 0.42 -0.05 0.00 0.00 175.22 175.19 1ib1 s ILE 94 N -4.11 -0.50 -0.21 -4.49 1.01 -0.54 -2.50 121.20 109.86 1ib1 s ILE 94 Ca 0.33 0.15 -0.07 0.00 0.00 0.00 0.00 60.65 61.06 1ib1 s ILE 94 Cb 0.05 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 1ib1 s ILE 94 CO 0.10 0.03 0.06 -0.63 0.00 0.00 0.00 174.94 174.50 1ib1 s ILE 95 N 2.48 4.56 0.37 2.92 -1.09 -0.63 -1.89 121.20 127.92 1ib1 s ILE 95 Ca 0.03 -0.10 0.06 0.00 -2.23 0.00 0.00 60.65 58.41 1ib1 s ILE 95 Cb -0.13 -3.08 -0.02 0.00 -1.58 0.00 0.00 42.46 37.64 1ib1 s ILE 95 CO -0.11 0.41 0.22 0.61 -1.23 0.00 0.00 174.94 174.84 1ib1 n GLY 96 N 4.10 3.06 3.80 6.18 0.00 -0.70 -0.60 105.19 121.02 1ib1 n GLY 96 Ca -0.16 -2.00 -0.04 0.00 0.00 0.00 0.00 46.02 43.81 1ib1 n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ib1 s SER 97 N -3.45 -0.14 -0.06 1.61 1.04 -0.87 -4.69 113.70 107.15 1ib1 s SER 97 Ca 0.31 -0.55 -0.10 0.00 0.48 0.00 0.00 55.95 56.09 1ib1 s SER 97 Cb 0.02 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.64 1ib1 s SER 97 CO 0.22 -1.04 0.27 -0.76 0.98 0.00 0.00 173.24 172.90 1ib1 s LEU 98 N -3.04 4.42 0.15 2.42 1.43 -1.26 -0.27 118.68 122.54 1ib1 s LEU 98 Ca 0.14 0.69 0.10 0.00 -1.03 0.00 0.00 54.13 54.03 1ib1 s LEU 98 Cb -0.02 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 1ib1 s LEU 98 CO 0.04 0.36 -0.24 0.86 0.23 0.00 0.00 176.35 177.60 1ib1 s TRP 99 N -1.08 2.18 -0.24 0.29 -0.00 -0.53 0.29 118.94 119.85 1ib1 s TRP 99 Ca 0.20 -0.39 0.11 0.00 -0.00 0.00 0.00 56.10 56.03 1ib1 s TRP 99 Cb -0.14 -1.14 0.45 0.00 -0.00 0.00 0.00 33.47 32.64 1ib1 s TRP 99 CO 0.09 0.38 1.19 -0.40 -0.00 0.00 0.00 176.95 178.21 1ib1 n ASP 100 N 0.64 3.16 -4.03 5.86 5.68 -1.26 -1.96 116.55 124.64 1ib1 n ASP 100 Ca -0.16 -3.53 -0.08 0.00 -0.50 0.00 0.00 54.79 50.52 1ib1 n ASP 100 Cb 0.55 -0.42 -0.09 0.00 -1.14 0.00 0.00 41.12 40.01 1ib1 n ASP 100 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1ib1 s GLU 101 N -3.23 0.75 0.06 0.11 2.02 -1.26 -4.96 118.70 112.18 1ib1 s GLU 101 Ca 0.43 -1.19 -0.25 0.00 0.02 0.00 0.00 54.97 53.98 1ib1 s GLU 101 Cb 0.39 0.26 -0.17 0.00 0.10 0.00 0.00 34.13 34.71 1ib1 s GLU 101 CO -0.02 -0.19 1.57 1.49 0.02 0.00 0.00 175.26 178.13 1ib1 h GLU 102 N 2.97 -0.15 -6.11 1.61 4.22 -2.05 -3.44 114.58 111.63 1ib1 h GLU 102 Ca -0.34 0.01 -0.55 0.00 0.08 0.00 0.00 59.36 58.56 1ib1 h GLU 102 Cb 1.17 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 1ib1 h GLU 102 CO 0.62 0.02 -0.51 1.03 -2.18 0.00 0.00 179.01 177.98 1ib1 s ARG 103 N -5.62 3.20 0.22 1.92 1.81 -1.26 -5.10 118.95 114.12 1ib1 s ARG 103 Ca -0.14 -0.72 -0.22 0.00 -1.72 0.00 0.00 55.73 52.92 1ib1 s ARG 103 Cb 0.04 -2.82 -0.08 0.00 -0.45 0.00 0.00 34.95 31.64 1ib1 s ARG 103 CO 0.64 0.50 0.77 -0.51 -0.68 0.00 0.00 175.30 176.03 1ib1 s LEU 104 N -3.19 4.42 0.42 2.53 1.43 -1.26 -5.03 118.68 118.00 1ib1 s LEU 104 Ca 0.33 1.55 0.06 0.00 -1.03 0.00 0.00 54.13 55.04 1ib1 s LEU 104 Cb -0.11 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.49 1ib1 s LEU 104 CO 0.26 0.07 0.01 0.42 0.23 0.00 0.00 176.35 177.35 1ib1 s THR 105 N -1.42 1.79 0.10 5.49 -4.23 -1.26 -4.18 115.64 111.93 1ib1 s THR 105 Ca 0.42 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.65 1ib1 s THR 105 Cb -0.19 -2.84 -0.11 0.00 1.34 0.00 0.00 72.50 70.70 1ib1 s THR 105 CO 0.23 0.00 1.65 -0.61 -0.54 0.00 0.00 174.62 175.35 1ib1 h GLN 106 N 1.73 -0.47 -0.06 3.99 5.75 -1.98 -2.59 115.11 121.49 1ib1 h GLN 106 Ca -0.44 0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.11 1ib1 h GLN 106 Cb 1.25 0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.91 1ib1 h GLN 106 CO 0.79 -0.31 0.19 0.93 -2.65 0.00 0.00 178.83 177.78 1ib1 h GLU 107 N -0.49 0.00 0.00 1.69 3.07 -1.97 -2.11 114.58 114.78 1ib1 h GLU 107 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ib1 h GLU 107 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1ib1 h GLU 107 CO -0.07 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.41 1ib1 n SER 108 N -3.23 0.00 0.00 1.42 3.41 -0.97 -2.98 113.62 111.26 1ib1 n SER 108 Ca -0.01 0.48 -0.00 0.00 -0.26 0.00 0.00 58.87 59.08 1ib1 n SER 108 Cb 0.27 -0.49 0.30 0.00 -0.26 0.00 0.00 64.21 64.03 1ib1 n SER 108 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ib1 h LEU 109 N 0.00 0.49 -3.11 1.04 3.38 -1.53 -2.92 115.31 112.65 1ib1 h LEU 109 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ib1 h LEU 109 Cb 0.24 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ib1 h LEU 109 CO 0.00 0.56 0.00 0.00 0.09 0.00 0.00 178.44 179.09 1ib1 n ALA 110 N -2.48 2.59 -2.47 1.53 0.00 -1.16 -5.02 120.51 113.50 1ib1 n ALA 110 Ca 0.01 -2.06 -0.31 0.00 0.00 0.00 0.00 53.44 51.09 1ib1 n ALA 110 Cb 0.24 -0.52 -0.13 0.00 0.00 0.00 0.00 19.45 19.05 1ib1 n ALA 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ib1 s LEU 111 N -2.34 2.68 -0.12 0.00 1.43 -1.11 -5.10 118.68 114.13 1ib1 s LEU 111 Ca 0.32 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1ib1 s LEU 111 Cb 0.26 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.94 1ib1 s LEU 111 CO 0.08 0.27 -0.10 -2.28 0.23 0.00 0.00 176.35 174.55 1ib1 s HIS 112 N -0.90 1.69 -0.46 0.29 5.65 -1.26 -4.62 115.29 115.68 1ib1 s HIS 112 Ca 0.14 -0.86 -0.09 0.00 0.25 0.00 0.00 55.06 54.50 1ib1 s HIS 112 Cb -0.11 -1.33 0.11 0.00 -1.18 0.00 0.00 32.58 30.08 1ib1 s HIS 112 CO 0.05 -0.53 0.33 1.03 -0.65 0.00 0.00 174.74 174.97 1ib1 s ARG 113 N 1.51 2.49 0.30 2.88 1.81 0.15 -4.91 118.95 123.18 1ib1 s ARG 113 Ca 0.03 -1.72 0.05 0.00 -1.72 0.00 0.00 55.73 52.36 1ib1 s ARG 113 Cb -0.13 -3.90 0.80 0.00 -0.45 0.00 0.00 34.95 31.27 1ib1 s ARG 113 CO -0.07 -1.16 1.64 -1.35 -0.68 0.00 0.00 175.30 173.68 1ib1 h PRO 114 N 8.44 0.20 -0.83 3.54 0.11 -1.98 0.47 132.00 141.94 1ib1 h PRO 114 Ca -0.21 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.72 1ib1 h PRO 114 Cb 1.07 -0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.04 1ib1 h PRO 114 CO 0.84 0.13 0.21 0.54 -0.21 0.00 0.00 178.00 179.52 1ib1 n ARG 115 N -5.22 2.98 -1.25 1.05 1.74 -1.26 -4.95 116.66 109.75 1ib1 n ARG 115 Ca 0.24 -2.25 -0.29 0.00 -0.77 0.00 0.00 57.85 54.78 1ib1 n ARG 115 Cb 0.76 -1.97 0.20 0.00 -1.02 0.00 0.00 32.46 30.43 1ib1 n ARG 115 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1ib1 s GLY 116 N -0.61 1.60 0.00 -0.13 0.00 0.16 -4.95 107.32 103.39 1ib1 s GLY 116 Ca 0.40 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 44.36 1ib1 s GLY 116 CO 0.10 -0.00 0.18 -2.39 0.00 0.00 0.00 173.10 170.99 1ib1 n HIS 117 N -4.37 0.00 -4.90 1.90 1.44 -0.83 -4.64 115.22 103.82 1ib1 n HIS 117 Ca 0.10 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.53 1ib1 n HIS 117 Cb 0.59 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.53 1ib1 n HIS 117 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1ib1 s SER 118 N -0.18 2.37 -0.57 4.39 0.01 -1.06 -0.02 113.70 118.64 1ib1 s SER 118 Ca 0.00 -0.41 -0.27 0.00 1.31 0.00 0.00 55.95 56.59 1ib1 s SER 118 Cb 0.00 -0.92 0.03 0.00 0.21 0.00 0.00 66.02 65.35 1ib1 s SER 118 CO 0.00 0.12 1.10 0.00 0.41 0.00 0.00 173.24 174.88 1ib1 s ALA 119 N 0.30 3.06 -0.54 1.44 0.00 -0.10 -1.45 121.76 124.47 1ib1 s ALA 119 Ca -0.11 -0.96 -0.25 0.00 0.00 0.00 0.00 51.96 50.64 1ib1 s ALA 119 Cb -0.15 -3.93 0.04 0.00 0.00 0.00 0.00 23.12 19.08 1ib1 s ALA 119 CO 0.05 -2.56 0.96 -1.58 0.00 0.00 0.00 175.76 172.63 1ib1 s HIS 120 N 4.59 2.80 -0.66 0.00 5.04 0.63 -0.94 115.29 126.75 1ib1 s HIS 120 Ca 0.39 0.09 -0.27 0.00 -1.54 0.00 0.00 55.06 53.73 1ib1 s HIS 120 Cb -0.09 -4.10 0.03 0.00 0.04 0.00 0.00 32.58 28.46 1ib1 s HIS 120 CO 0.23 -1.33 1.20 -0.51 -2.34 0.00 0.00 174.74 171.99 1ib1 s LEU 121 N 4.01 3.42 0.12 8.88 1.02 0.17 -2.05 118.68 134.26 1ib1 s LEU 121 Ca 0.33 -0.29 -0.12 0.00 0.02 0.00 0.00 54.13 54.06 1ib1 s LEU 121 Cb -0.12 -2.78 -0.08 0.00 0.02 0.00 0.00 46.19 43.23 1ib1 s LEU 121 CO 0.21 -1.64 1.42 0.45 0.02 0.00 0.00 176.35 176.81 1ib1 h HIS 122 N 9.77 1.07 -2.79 0.29 3.86 -1.16 -3.42 115.15 122.77 1ib1 h HIS 122 Ca -0.27 -0.36 -0.12 0.00 -1.16 0.00 0.00 60.37 58.46 1ib1 h HIS 122 Cb 1.06 -0.21 -0.23 0.00 1.06 0.00 0.00 27.41 29.09 1ib1 h HIS 122 CO 1.07 1.19 -0.22 0.00 0.86 0.00 0.00 177.93 180.82 1ib1 s ALA 123 N -4.20 -0.99 -0.05 2.45 0.00 -1.14 -4.84 121.76 112.98 1ib1 s ALA 123 Ca -0.11 0.91 -0.02 0.00 0.00 0.00 0.00 51.96 52.73 1ib1 s ALA 123 Cb 0.10 -0.40 0.04 0.00 0.00 0.00 0.00 23.12 22.86 1ib1 s ALA 123 CO 0.88 -0.22 0.10 -1.17 0.00 0.00 0.00 175.76 175.34 1ib1 s LEU 124 N -0.35 0.26 -0.04 0.00 2.96 -1.26 -1.60 118.68 118.65 1ib1 s LEU 124 Ca -0.05 0.18 -0.20 0.00 -0.22 0.00 0.00 54.13 53.84 1ib1 s LEU 124 Cb -0.03 0.06 0.04 0.00 0.50 0.00 0.00 46.19 46.76 1ib1 s LEU 124 CO 0.02 -0.22 0.45 0.00 -1.32 0.00 0.00 176.35 175.28 1ib1 s ALA 125 N 1.95 -1.14 -0.03 5.97 0.00 -1.04 -5.03 121.76 122.44 1ib1 s ALA 125 Ca 0.01 0.74 0.07 0.00 0.00 0.00 0.00 51.96 52.78 1ib1 s ALA 125 Cb -0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 1ib1 s ALA 125 CO -0.04 -0.29 -0.25 0.08 0.00 0.00 0.00 175.76 175.25 1ib1 s VAL 126 N -1.14 2.08 0.29 0.00 1.01 -1.26 -1.73 120.40 119.65 1ib1 s VAL 126 Ca -0.11 -1.09 -0.30 0.00 0.00 0.00 0.00 61.98 60.48 1ib1 s VAL 126 Cb -0.03 -1.73 -0.12 0.00 0.00 0.00 0.00 36.38 34.50 1ib1 s VAL 126 CO 0.06 0.58 1.52 1.57 0.00 0.00 0.00 175.10 178.83 1ib1 n HIS 127 N 2.58 2.67 -0.32 5.22 -0.00 0.11 -4.83 115.22 120.65 1ib1 n HIS 127 Ca -0.16 0.34 0.31 0.00 0.46 0.00 0.00 57.72 58.66 1ib1 n HIS 127 Cb 0.51 -2.55 0.67 0.00 -0.12 0.00 0.00 29.99 28.51 1ib1 n HIS 127 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 1ib1 h ARG 128 N 4.31 0.12 -0.03 1.57 0.11 -1.95 0.65 114.38 119.17 1ib1 h ARG 128 Ca -0.47 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.60 1ib1 h ARG 128 Cb 1.24 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1ib1 h ARG 128 CO 0.76 0.08 0.00 0.43 0.10 0.00 0.00 179.97 181.34 1ib1 n SER 129 N -4.34 0.42 0.00 0.08 7.64 -1.26 -3.73 113.62 112.42 1ib1 n SER 129 Ca 0.26 -1.38 0.00 0.00 1.01 0.00 0.00 58.87 58.76 1ib1 n SER 129 Cb 1.13 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.31 1ib1 n SER 129 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ib1 n PHE 130 N -0.56 0.00 -1.32 1.43 3.01 0.20 -5.09 117.46 115.14 1ib1 n PHE 130 Ca 0.17 -0.17 -0.30 0.00 1.01 0.00 0.00 57.45 58.17 1ib1 n PHE 130 Cb 0.15 -0.02 0.12 0.00 -0.01 0.00 0.00 39.48 39.72 1ib1 n PHE 130 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1ib1 s ARG 131 N -0.33 1.48 -1.44 -1.08 0.52 -1.10 -3.85 118.95 113.14 1ib1 s ARG 131 Ca 0.00 0.74 0.00 0.00 -0.52 0.00 0.00 55.73 55.95 1ib1 s ARG 131 Cb 0.00 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.63 1ib1 s ARG 131 CO 0.00 -2.07 0.00 1.04 0.02 0.00 0.00 175.30 174.29 1ib1 n GLN 132 N -3.75 -1.90 -0.03 3.54 1.13 -1.26 -4.82 117.38 110.29 1ib1 n GLN 132 Ca 0.07 0.82 0.02 0.00 -1.94 0.00 0.00 57.00 55.97 1ib1 n GLN 132 Cb 0.56 -5.41 0.04 0.00 0.11 0.00 0.00 30.24 25.53 1ib1 n GLN 132 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1ib1 n GLN 133 N -2.82 0.85 -0.35 -1.09 6.02 -1.25 -4.97 117.38 113.77 1ib1 n GLN 133 Ca -0.19 -1.13 0.00 0.00 -0.01 0.00 0.00 57.00 55.67 1ib1 n GLN 133 Cb 0.64 -1.10 0.00 0.00 1.02 0.00 0.00 30.24 30.80 1ib1 n GLN 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ib1 n GLY 134 N 0.14 1.47 0.25 1.08 0.00 -1.26 -4.93 105.19 101.95 1ib1 n GLY 134 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.08 1ib1 n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ib1 h LYS 135 N 3.10 0.30 -0.28 1.61 1.57 -1.94 -1.93 116.57 119.01 1ib1 h LYS 135 Ca 0.00 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1ib1 h LYS 135 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1ib1 h LYS 135 CO 0.00 0.38 -0.38 0.78 -0.57 0.00 0.00 179.45 179.66 1ib1 h GLY 136 N 0.69 0.69 0.94 3.86 0.00 -1.91 -2.22 103.07 105.12 1ib1 h GLY 136 Ca 0.06 -0.68 -0.11 0.00 0.00 0.00 0.00 47.33 46.61 1ib1 h GLY 136 CO 0.01 0.61 -0.26 1.76 0.00 0.00 0.00 176.54 178.66 1ib1 h SER 137 N 0.53 0.71 -0.88 0.19 0.02 -1.88 -1.19 113.55 111.04 1ib1 h SER 137 Ca 0.05 -0.47 -0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1ib1 h SER 137 Cb 0.89 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.19 1ib1 h SER 137 CO 0.08 1.03 0.54 0.58 -1.14 0.00 0.00 176.83 177.92 1ib1 h VAL 138 N 0.39 1.24 -0.04 2.27 2.07 -1.29 -0.14 116.25 120.76 1ib1 h VAL 138 Ca 0.04 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1ib1 h VAL 138 Cb 0.83 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1ib1 h VAL 138 CO 0.07 0.25 -0.01 0.25 0.02 0.00 0.00 177.57 178.14 1ib1 h LEU 139 N 1.21 0.07 -0.28 2.57 6.46 -1.31 -0.69 115.31 123.34 1ib1 h LEU 139 Ca 0.32 -0.37 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1ib1 h LEU 139 Cb -0.07 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.82 1ib1 h LEU 139 CO -0.06 0.42 0.18 0.25 -0.62 0.00 0.00 178.44 178.61 1ib1 h LEU 140 N -0.28 0.31 -0.17 2.25 5.85 -0.87 0.17 115.31 122.57 1ib1 h LEU 140 Ca 0.01 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1ib1 h LEU 140 Cb 0.39 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1ib1 h LEU 140 CO 0.00 0.22 0.03 -0.50 -0.34 0.00 0.00 178.44 177.85 1ib1 h TRP 141 N 0.37 0.05 -0.46 1.25 -0.00 -1.03 -1.03 115.95 115.09 1ib1 h TRP 141 Ca 0.10 0.01 0.07 0.00 -0.00 0.00 0.00 58.89 59.08 1ib1 h TRP 141 Cb -0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 29.16 29.07 1ib1 h TRP 141 CO -0.06 0.01 0.10 -0.09 -0.00 0.00 0.00 178.44 178.40 1ib1 h ARG 142 N 0.10 0.23 -0.48 0.49 9.65 -0.63 -1.82 114.38 121.91 1ib1 h ARG 142 Ca 0.08 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.90 1ib1 h ARG 142 Cb 0.07 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 1ib1 h ARG 142 CO -0.11 0.15 0.12 -0.92 2.80 0.00 0.00 179.97 182.02 1ib1 h TYR 143 N 0.24 0.74 -0.09 2.20 3.20 -0.09 0.43 116.97 123.58 1ib1 h TYR 143 Ca 0.23 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 61.95 1ib1 h TYR 143 Cb 0.29 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1ib1 h TYR 143 CO -0.21 0.62 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.54 1ib1 h LEU 144 N 0.70 0.18 0.12 2.82 3.38 -0.39 -1.47 115.31 120.66 1ib1 h LEU 144 Ca 0.16 -0.06 -0.22 0.00 0.09 0.00 0.00 57.88 57.84 1ib1 h LEU 144 Cb 0.26 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 40.98 1ib1 h LEU 144 CO -0.00 0.50 -0.95 0.45 0.09 0.00 0.00 178.44 178.53 1ib1 h HIS 145 N 0.16 0.72 0.19 1.13 3.86 -0.85 -0.79 115.15 119.57 1ib1 h HIS 145 Ca 0.02 -0.48 0.01 0.00 -1.16 0.00 0.00 60.37 58.76 1ib1 h HIS 145 Cb 0.66 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.06 1ib1 h HIS 145 CO 0.01 1.35 -0.23 1.25 0.86 0.00 0.00 177.93 181.16 1ib1 h HIS 146 N -0.11 -0.62 0.00 2.45 -0.00 -0.78 -1.82 115.15 114.28 1ib1 h HIS 146 Ca -0.15 0.01 -0.20 0.00 -0.00 0.00 0.00 60.37 60.02 1ib1 h HIS 146 Cb 1.70 0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 29.33 1ib1 h HIS 146 CO 0.16 -0.34 -0.98 -0.39 -0.00 0.00 0.00 177.93 176.39 1ib1 h VAL 147 N -0.47 1.70 -0.02 5.26 -1.51 -1.41 -3.25 116.25 116.55 1ib1 h VAL 147 Ca 0.01 -3.34 -0.02 0.00 -1.23 0.00 0.00 66.70 62.12 1ib1 h VAL 147 Cb 0.46 2.80 -0.00 0.00 -2.13 0.00 0.00 31.29 32.42 1ib1 h VAL 147 CO -0.08 0.95 -0.08 1.23 -1.23 0.00 0.00 177.57 178.36 1ib1 h GLY 148 N 2.91 0.03 2.00 5.19 0.00 -0.98 -1.21 103.07 111.01 1ib1 h GLY 148 Ca -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 1ib1 h GLY 148 CO 0.13 0.01 -0.22 0.00 0.00 0.00 0.00 176.54 176.46 1ib1 h ALA 149 N 1.89 1.06 -2.09 3.60 0.00 -1.36 -3.42 119.26 118.93 1ib1 h ALA 149 Ca 0.01 -0.20 -0.56 0.00 0.00 0.00 0.00 54.91 54.15 1ib1 h ALA 149 Cb 0.16 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1ib1 h ALA 149 CO 0.01 0.27 1.01 -0.65 0.00 0.00 0.00 179.25 179.89 1ib1 s GLN 150 N -3.73 4.03 0.00 0.00 -0.21 -0.46 -4.89 119.66 114.40 1ib1 s GLN 150 Ca -0.00 1.64 0.00 0.00 0.02 0.00 0.00 55.36 57.02 1ib1 s GLN 150 Cb 0.11 -3.90 0.00 0.00 1.00 0.00 0.00 33.01 30.22 1ib1 s GLN 150 CO 0.63 -0.98 0.13 -2.30 -2.12 0.00 0.00 175.29 170.65 1ib1 n PRO 151 N 7.13 0.00 0.00 2.91 -0.02 -1.26 -1.49 135.00 142.27 1ib1 n PRO 151 Ca 0.16 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1ib1 n PRO 151 Cb 0.45 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 1ib1 n PRO 151 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ib1 n ALA 152 N -0.63 1.39 -2.51 3.55 0.00 -1.26 -4.97 120.51 116.07 1ib1 n ALA 152 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1ib1 n ALA 152 Cb 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 1ib1 n ALA 152 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ib1 s VAL 153 N -1.39 3.78 -0.50 0.00 1.01 -0.56 -4.36 120.40 118.38 1ib1 s VAL 153 Ca 0.00 -0.12 0.23 0.00 0.00 0.00 0.00 61.98 62.09 1ib1 s VAL 153 Cb 0.00 -4.90 -0.08 0.00 0.00 0.00 0.00 36.38 31.40 1ib1 s VAL 153 CO 0.00 -1.81 1.04 0.54 0.00 0.00 0.00 175.10 174.86 1ib1 n ARG 154 N 9.15 0.37 -4.12 2.72 1.74 0.97 -4.21 116.66 123.27 1ib1 n ARG 154 Ca 0.18 0.02 -0.11 0.00 -0.77 0.00 0.00 57.85 57.17 1ib1 n ARG 154 Cb 0.50 -1.65 -0.08 0.00 -1.02 0.00 0.00 32.46 30.21 1ib1 n ARG 154 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1ib1 s ARG 155 N -3.25 1.31 -0.02 5.56 3.52 -1.08 -0.18 118.95 124.82 1ib1 s ARG 155 Ca 0.02 -1.48 0.03 0.00 -0.13 0.00 0.00 55.73 54.18 1ib1 s ARG 155 Cb 0.13 0.34 -0.00 0.00 -1.56 0.00 0.00 34.95 33.86 1ib1 s ARG 155 CO 0.79 -0.48 -0.11 0.00 -0.81 0.00 0.00 175.30 174.70 1ib1 s ALA 156 N -4.10 0.98 0.03 6.12 0.00 0.87 -0.93 121.76 124.73 1ib1 s ALA 156 Ca 0.32 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.85 1ib1 s ALA 156 Cb 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1ib1 s ALA 156 CO 0.10 0.21 -0.09 0.14 0.00 0.00 0.00 175.76 176.12 1ib1 s VAL 157 N -0.08 0.65 0.17 0.00 -7.23 -0.12 -0.53 120.40 113.27 1ib1 s VAL 157 Ca 0.01 -0.81 -0.24 0.00 -1.81 0.00 0.00 61.98 59.13 1ib1 s VAL 157 Cb -0.07 -0.64 0.06 0.00 0.56 0.00 0.00 36.38 36.30 1ib1 s VAL 157 CO 0.00 -0.14 0.71 -1.48 -0.31 0.00 0.00 175.10 173.88 1ib1 s LEU 158 N -1.05 -0.43 0.08 1.32 0.05 -0.91 -0.66 118.68 117.09 1ib1 s LEU 158 Ca -0.04 -0.19 0.09 0.00 0.05 0.00 0.00 54.13 54.04 1ib1 s LEU 158 Cb -0.07 2.51 -0.03 0.00 -2.05 0.00 0.00 46.19 46.55 1ib1 s LEU 158 CO 0.00 -1.01 -0.23 0.00 -0.55 0.00 0.00 176.35 174.57 1ib1 s MET 159 N -3.66 1.36 0.23 1.48 0.23 -1.26 -0.17 119.30 117.51 1ib1 s MET 159 Ca 0.05 -1.12 -0.15 0.00 -1.03 0.00 0.00 55.69 53.44 1ib1 s MET 159 Cb -0.02 -1.62 0.01 0.00 -1.53 0.00 0.00 34.83 31.66 1ib1 s MET 159 CO -0.06 0.40 0.50 0.00 -2.03 0.00 0.00 175.02 173.83 1ib1 s GLU 161 N -3.96 3.63 0.35 0.00 -1.05 -1.26 0.07 118.70 116.47 1ib1 s GLU 161 Ca 0.17 0.64 0.14 0.00 -0.15 0.00 0.00 54.97 55.77 1ib1 s GLU 161 Cb -0.01 -2.16 1.06 0.00 -0.44 0.00 0.00 34.13 32.58 1ib1 s GLU 161 CO 0.05 -0.44 1.69 -0.44 0.95 0.00 0.00 175.26 177.06 1ib1 h ASP 162 N -0.03 0.54 -0.92 0.83 3.45 -1.95 -1.67 116.42 116.67 1ib1 h ASP 162 Ca -0.45 0.17 0.10 0.00 0.43 0.00 0.00 57.03 57.27 1ib1 h ASP 162 Cb 1.19 0.10 -0.07 0.00 -0.56 0.00 0.00 39.33 40.00 1ib1 h ASP 162 CO 0.62 -0.06 0.59 0.00 -1.57 0.00 0.00 179.24 178.82 1ib1 h ALA 163 N 1.79 1.59 -0.00 3.45 0.00 -2.03 -2.21 119.26 121.84 1ib1 h ALA 163 Ca 0.71 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.61 1ib1 h ALA 163 Cb 1.60 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1ib1 h ALA 163 CO -0.54 0.22 -0.08 1.28 0.00 0.00 0.00 179.25 180.14 1ib1 n LEU 164 N -4.54 0.50 0.01 0.00 4.77 -0.63 -4.20 117.00 112.91 1ib1 n LEU 164 Ca 0.16 -0.04 -0.11 0.00 -0.03 0.00 0.00 56.01 55.99 1ib1 n LEU 164 Cb 0.30 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 1ib1 n LEU 164 CO 0.31 0.09 0.85 0.58 -1.33 0.00 0.00 177.39 177.89 1ib1 h VAL 165 N 0.67 0.92 -0.14 4.08 2.07 -1.43 -1.61 116.25 120.80 1ib1 h VAL 165 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1ib1 h VAL 165 Cb 0.32 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1ib1 h VAL 165 CO 0.00 0.00 -0.01 -0.65 0.02 0.00 0.00 177.57 176.93 1ib1 h PRO 166 N -0.00 0.19 0.41 1.57 0.11 -1.78 -2.24 132.00 130.26 1ib1 h PRO 166 Ca 0.04 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 1ib1 h PRO 166 Cb 0.06 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1ib1 h PRO 166 CO -0.08 0.22 -0.20 0.35 -0.21 0.00 0.00 178.00 178.08 1ib1 h PHE 167 N 0.19 -0.51 0.00 0.65 3.57 -1.66 -3.09 116.94 116.08 1ib1 h PHE 167 Ca 0.05 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1ib1 h PHE 167 Cb 0.15 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 1ib1 h PHE 167 CO 0.00 -0.22 -0.04 1.88 -2.23 0.00 0.00 178.31 177.71 1ib1 h TYR 168 N -0.74 0.00 0.00 0.41 0.05 -0.88 -1.78 116.97 114.03 1ib1 h TYR 168 Ca -0.06 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.72 1ib1 h TYR 168 Cb 0.52 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.26 1ib1 h TYR 168 CO -0.01 0.04 -0.01 1.96 -1.05 0.00 0.00 178.16 179.09 1ib1 h GLN 169 N 0.00 0.00 0.00 4.88 4.20 -1.33 -1.60 115.11 121.26 1ib1 h GLN 169 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ib1 h GLN 169 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1ib1 h GLN 169 CO 0.00 0.01 0.00 0.54 -0.67 0.00 0.00 178.83 178.72 1ib1 n ARG 170 N -3.11 0.27 0.00 1.46 1.74 -0.67 -2.15 116.66 114.19 1ib1 n ARG 170 Ca -0.00 0.10 0.03 0.00 -0.77 0.00 0.00 57.85 57.21 1ib1 n ARG 170 Cb 0.26 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.23 1ib1 n ARG 170 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1ib1 n PHE 171 N -1.30 0.00 0.00 -1.55 3.01 -0.63 -4.98 117.46 112.02 1ib1 n PHE 171 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 1ib1 n PHE 171 Cb 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 1ib1 n PHE 171 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ib1 n GLY 172 N 0.37 0.53 3.77 1.37 0.00 -0.92 -5.03 105.19 105.28 1ib1 n GLY 172 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1ib1 n GLY 172 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ib1 s PHE 173 N -2.00 2.81 0.03 1.61 0.40 -1.06 -4.52 117.98 115.25 1ib1 s PHE 173 Ca 0.00 1.52 0.06 0.00 -0.60 0.00 0.00 56.93 57.92 1ib1 s PHE 173 Cb 0.00 -3.41 -0.02 0.00 0.51 0.00 0.00 43.02 40.10 1ib1 s PHE 173 CO 0.00 -1.64 -0.19 -1.01 0.70 0.00 0.00 175.22 173.08 1ib1 s HIS 174 N -1.54 1.68 0.14 0.36 3.76 0.51 -4.03 115.29 116.18 1ib1 s HIS 174 Ca 0.65 -0.35 -0.31 0.00 -0.15 0.00 0.00 55.06 54.89 1ib1 s HIS 174 Cb -0.29 -1.02 -0.10 0.00 1.11 0.00 0.00 32.58 32.27 1ib1 s HIS 174 CO 0.35 0.05 1.68 -2.14 -0.85 0.00 0.00 174.74 173.84 1ib1 s PRO 175 N -0.97 4.17 -0.22 8.40 0.02 -1.26 -1.64 135.00 143.50 1ib1 s PRO 175 Ca 0.06 2.47 0.12 0.00 0.02 0.00 0.00 61.00 63.67 1ib1 s PRO 175 Cb -0.08 -3.34 0.44 0.00 0.02 0.00 0.00 34.50 31.53 1ib1 s PRO 175 CO 0.01 -0.73 1.32 0.00 -0.33 0.00 0.00 177.00 177.27 1ib1 n ALA 176 N 4.76 3.55 -0.27 -1.55 0.00 0.12 -4.91 120.51 122.21 1ib1 n ALA 176 Ca 0.16 -3.01 0.00 0.00 0.00 0.00 0.00 53.44 50.59 1ib1 n ALA 176 Cb 0.38 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.30 1ib1 n ALA 176 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ib1 n GLY 177 N -1.11 -1.72 3.74 0.00 0.00 -1.26 -4.66 105.19 100.19 1ib1 n GLY 177 Ca 0.24 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 1ib1 n GLY 177 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ib1 n PRO 178 N -0.49 2.18 -3.32 1.61 -0.02 -1.26 -0.34 135.00 133.35 1ib1 n PRO 178 Ca 0.00 0.77 -0.38 0.00 -2.02 0.00 0.00 63.50 61.87 1ib1 n PRO 178 Cb 0.00 -2.55 -0.06 0.00 -0.02 0.00 0.00 33.50 30.87 1ib1 n PRO 178 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ib1 n ALA 180 N 2.52 2.09 -2.67 0.00 0.00 -1.26 -4.66 120.51 116.53 1ib1 n ALA 180 Ca -0.09 -0.10 -0.37 0.00 0.00 0.00 0.00 53.44 52.88 1ib1 n ALA 180 Cb 0.51 -1.25 -0.09 0.00 0.00 0.00 0.00 19.45 18.62 1ib1 n ALA 180 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ib1 s ILE 181 N -2.00 5.32 -0.14 0.00 1.01 -1.26 -4.23 121.20 119.89 1ib1 s ILE 181 Ca 0.23 0.33 -0.01 0.00 0.00 0.00 0.00 60.65 61.20 1ib1 s ILE 181 Cb 0.11 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 39.00 1ib1 s ILE 181 CO 0.18 0.33 -0.11 0.68 0.00 0.00 0.00 174.94 176.02 1ib1 s VAL 182 N 1.03 3.16 -0.24 2.92 -7.23 -1.26 -4.51 120.40 114.27 1ib1 s VAL 182 Ca 0.11 -0.62 -0.01 0.00 -1.81 0.00 0.00 61.98 59.66 1ib1 s VAL 182 Cb -0.14 -2.35 0.03 0.00 0.56 0.00 0.00 36.38 34.49 1ib1 s VAL 182 CO 0.05 0.51 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.57 1ib1 s VAL 183 N 0.48 2.68 0.00 1.32 1.01 -1.06 -4.96 120.40 119.87 1ib1 s VAL 183 Ca -0.08 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 60.83 1ib1 s VAL 183 Cb -0.15 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1ib1 s VAL 183 CO 0.04 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1ib1 n GLY 184 N 4.64 3.12 2.14 4.51 0.00 -1.26 -0.17 105.19 118.18 1ib1 n GLY 184 Ca -0.17 0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1ib1 n GLY 184 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ib1 n SER 185 N 10.21 4.57 -4.27 1.61 7.64 -1.26 -5.02 113.62 127.10 1ib1 n SER 185 Ca 0.00 -3.58 -0.30 0.00 1.01 0.00 0.00 58.87 56.00 1ib1 n SER 185 Cb 0.00 -0.36 -0.16 0.00 -1.01 0.00 0.00 64.21 62.68 1ib1 n SER 185 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ib1 s LEU 186 N -3.61 2.05 0.06 -3.43 1.43 0.77 -5.14 118.68 110.80 1ib1 s LEU 186 Ca 0.48 -0.44 0.09 0.00 -1.03 0.00 0.00 54.13 53.23 1ib1 s LEU 186 Cb 0.40 -1.25 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 1ib1 s LEU 186 CO 0.01 0.29 -0.26 0.42 0.23 0.00 0.00 176.35 177.04 1ib1 s THR 187 N -0.51 2.09 0.24 5.49 -4.23 -1.26 -2.56 115.64 114.89 1ib1 s THR 187 Ca 0.08 -1.41 0.02 0.00 -1.18 0.00 0.00 61.69 59.19 1ib1 s THR 187 Cb -0.10 -1.80 -0.05 0.00 1.34 0.00 0.00 72.50 71.89 1ib1 s THR 187 CO -0.00 0.31 0.06 -0.36 -0.54 0.00 0.00 174.62 174.08 1ib1 s PHE 188 N -0.84 1.51 -0.14 3.99 0.08 -1.26 -4.81 117.98 116.51 1ib1 s PHE 188 Ca 0.11 -1.09 -0.10 0.00 0.12 0.00 0.00 56.93 55.97 1ib1 s PHE 188 Cb -0.10 -0.89 -0.05 0.00 -0.57 0.00 0.00 43.02 41.42 1ib1 s PHE 188 CO 0.02 -0.24 0.20 0.99 -0.10 0.00 0.00 175.22 176.10 1ib1 s THR 189 N -3.65 5.38 0.23 0.64 2.01 0.11 -0.77 115.64 119.61 1ib1 s THR 189 Ca 0.33 0.35 -0.23 0.00 0.31 0.00 0.00 61.69 62.45 1ib1 s THR 189 Cb 0.07 -3.50 -0.09 0.00 0.01 0.00 0.00 72.50 68.99 1ib1 s THR 189 CO 0.11 0.52 0.81 -0.70 -0.69 0.00 0.00 174.62 174.67 1ib1 s GLU 190 N -0.36 4.45 -0.04 4.92 2.12 0.54 -1.60 118.70 128.73 1ib1 s GLU 190 Ca 0.14 1.10 0.03 0.00 0.36 0.00 0.00 54.97 56.60 1ib1 s GLU 190 Cb -0.12 -2.98 0.00 0.00 0.26 0.00 0.00 34.13 31.29 1ib1 s GLU 190 CO 0.03 0.42 -0.13 -1.64 -0.54 0.00 0.00 175.26 173.40 1ib1 s MET 191 N -1.73 1.39 -0.05 4.30 -1.94 0.76 0.14 119.30 122.15 1ib1 s MET 191 Ca 0.43 -0.45 0.05 0.00 -1.71 0.00 0.00 55.69 54.02 1ib1 s MET 191 Cb -0.19 -1.23 -0.01 0.00 2.01 0.00 0.00 34.83 35.41 1ib1 s MET 191 CO 0.24 0.16 -0.22 -1.01 -0.01 0.00 0.00 175.02 174.18 1ib1 s HIS 192 N 0.18 2.17 -0.16 -0.03 3.76 -0.65 -2.15 115.29 118.40 1ib1 s HIS 192 Ca -0.05 -0.65 -0.01 0.00 -0.15 0.00 0.00 55.06 54.21 1ib1 s HIS 192 Cb -0.11 -1.43 0.04 0.00 1.11 0.00 0.00 32.58 32.19 1ib1 s HIS 192 CO 0.01 -0.21 -0.04 0.00 -0.85 0.00 0.00 174.74 173.66 1ib1 s SER 194 N 1.66 7.11 0.00 0.00 0.15 -1.26 -0.09 113.70 121.26 1ib1 s SER 194 Ca 0.01 2.34 0.00 0.00 0.70 0.00 0.00 55.95 59.00 1ib1 s SER 194 Cb -0.15 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 1ib1 s SER 194 CO -0.08 -0.26 0.00 0.18 1.20 0.00 0.00 173.24 174.28 1ib1 n LEU 195 N 0.98 0.00 0.00 3.45 4.77 0.75 -4.89 117.00 122.06 1ib1 n LEU 195 Ca -0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.09 1ib1 n LEU 195 Cb 0.45 0.00 0.69 0.00 -2.33 0.00 0.00 43.42 42.23 1ib1 n LEU 195 CO 0.54 0.00 0.88 -2.11 -1.33 0.00 0.00 177.39 175.37