#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 -2.49 105.19 105.89 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 7.57 3.23 0.13 -0.61 -1.09 -1.26 -4.81 121.20 124.35 1ib1 s ILE 20 Ca 1.02 -3.06 -0.35 0.00 -2.23 0.00 0.00 60.65 56.03 1ib1 s ILE 20 Cb -0.50 -3.16 -0.16 0.00 -1.58 0.00 0.00 42.46 37.06 1ib1 s ILE 20 CO 0.40 -0.83 1.39 -2.65 -1.23 0.00 0.00 174.94 172.02 1ib1 n PRO 21 N 3.39 1.49 0.00 2.79 -0.02 -1.26 -0.98 135.00 140.42 1ib1 n PRO 21 Ca 0.06 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1ib1 n PRO 21 Cb 0.36 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 2.69 2.89 2.72 -1.23 0.00 -1.26 -4.95 105.19 106.04 1ib1 n GLY 22 Ca 0.17 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 -1.33 3.59 0.21 1.61 0.01 -0.15 -5.04 113.70 112.60 1ib1 s SER 23 Ca 0.00 -3.06 -0.14 0.00 1.31 0.00 0.00 55.95 54.06 1ib1 s SER 23 Cb 0.00 -1.12 0.24 0.00 0.21 0.00 0.00 66.02 65.35 1ib1 s SER 23 CO 0.00 -0.20 1.61 -0.65 0.41 0.00 0.00 173.24 174.41 1ib1 h PRO 24 N 6.16 -0.03 -0.07 12.44 0.11 -1.93 -2.94 132.00 145.74 1ib1 h PRO 24 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1ib1 h PRO 24 Cb 0.88 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1ib1 h PRO 24 CO 0.54 -0.02 0.00 0.41 -0.21 0.00 0.00 178.00 178.72 1ib1 n GLY 25 N -1.45 0.59 3.81 -0.55 0.00 -1.26 -4.93 105.19 101.39 1ib1 n GLY 25 Ca 0.08 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.94 4.22 -0.11 1.61 3.00 -1.11 -5.07 118.95 119.55 1ib1 s ARG 26 Ca 0.33 0.76 -0.10 0.00 0.00 0.00 0.00 55.73 56.72 1ib1 s ARG 26 Cb 0.20 -3.21 -0.05 0.00 0.00 0.00 0.00 34.95 31.90 1ib1 s ARG 26 CO 0.31 0.62 0.23 1.14 0.00 0.00 0.00 175.30 177.59 1ib1 s GLN 27 N -1.20 3.81 0.41 3.54 -2.07 -1.26 -4.47 119.66 118.41 1ib1 s GLN 27 Ca 0.31 0.02 -0.24 0.00 -1.82 0.00 0.00 55.36 53.62 1ib1 s GLN 27 Cb -0.19 -3.27 -0.08 0.00 -1.09 0.00 0.00 33.01 28.37 1ib1 s GLN 27 CO 0.20 0.59 1.12 0.50 -1.32 0.00 0.00 175.29 176.37 1ib1 s ARG 28 N -0.55 4.07 0.85 9.60 3.52 -1.04 -5.01 118.95 130.38 1ib1 s ARG 28 Ca 0.16 1.69 -0.11 0.00 -0.13 0.00 0.00 55.73 57.34 1ib1 s ARG 28 Cb -0.13 -2.59 0.11 0.00 -1.56 0.00 0.00 34.95 30.77 1ib1 s ARG 28 CO 0.05 -0.27 1.15 -0.98 -0.81 0.00 0.00 175.30 174.45 1ib1 s ARG 29 N -2.41 1.49 0.56 5.12 1.04 -1.26 -4.99 118.95 118.49 1ib1 s ARG 29 Ca 0.58 1.54 0.09 0.00 -1.04 0.00 0.00 55.73 56.90 1ib1 s ARG 29 Cb -0.27 -1.78 0.08 0.00 -2.04 0.00 0.00 34.95 30.94 1ib1 s ARG 29 CO 0.33 -2.28 0.76 -1.01 -0.04 0.00 0.00 175.30 173.07 1ib1 s HIS 30 N -2.53 1.57 -0.02 5.89 3.76 -1.26 -5.14 115.29 117.56 1ib1 s HIS 30 Ca 0.68 -0.69 -0.30 0.00 -0.15 0.00 0.00 55.06 54.60 1ib1 s HIS 30 Cb -0.23 -2.23 -0.03 0.00 1.11 0.00 0.00 32.58 31.20 1ib1 s HIS 30 CO 0.55 -1.07 1.03 -1.17 -0.85 0.00 0.00 174.74 173.23 1ib1 s LEU 32 N -4.63 4.34 0.00 0.89 1.98 -1.26 -5.31 118.68 114.68 1ib1 s LEU 32 Ca 0.61 1.69 -0.04 0.00 -2.89 0.00 0.00 54.13 53.50 1ib1 s LEU 32 Cb -0.06 -3.57 0.05 0.00 0.66 0.00 0.00 46.19 43.27 1ib1 s LEU 32 CO 0.38 -0.35 0.29 -0.81 -1.89 0.00 0.00 176.35 173.97 1ib1 n PRO 33 N 4.24 -0.35 -3.35 0.98 -0.04 -1.26 -5.09 135.00 130.14 1ib1 n PRO 33 Ca 0.07 -0.45 -0.20 0.00 -0.04 0.00 0.00 63.50 62.88 1ib1 n PRO 33 Cb 0.50 -0.31 -0.08 0.00 -0.04 0.00 0.00 33.50 33.56 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 -3.95 -0.03 0.07 0.55 0.00 -1.26 -4.56 121.76 112.58 1ib1 s ALA 34 Ca 0.17 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1ib1 s ALA 34 Cb -0.00 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.16 1ib1 s ALA 34 CO 0.12 -2.13 0.00 0.09 0.00 0.00 0.00 175.76 173.84 1ib1 n ASN 35 N 3.92 -8.46 -3.83 0.00 4.13 -1.24 -4.86 115.26 104.92 1ib1 n ASN 35 Ca 0.14 1.49 -0.09 0.00 1.68 0.00 0.00 54.58 57.81 1ib1 n ASN 35 Cb 0.45 -4.65 -0.04 0.00 -1.54 0.00 0.00 39.78 34.00 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 -0.84 1.50 -0.13 3.52 -1.05 -0.72 -4.95 118.70 116.02 1ib1 s GLU 36 Ca 0.00 -0.99 0.01 0.00 -0.15 0.00 0.00 54.97 53.85 1ib1 s GLU 36 Cb 0.00 0.53 -0.00 0.00 -0.44 0.00 0.00 34.13 34.21 1ib1 s GLU 36 CO 0.00 -0.65 -0.18 -0.06 0.95 0.00 0.00 175.26 175.33 1ib1 s PHE 37 N -3.92 2.72 0.07 4.83 0.40 -1.26 -1.01 117.98 119.82 1ib1 s PHE 37 Ca 0.13 -0.98 -0.02 0.00 -0.60 0.00 0.00 56.93 55.46 1ib1 s PHE 37 Cb -0.02 -1.83 -0.04 0.00 0.51 0.00 0.00 43.02 41.65 1ib1 s PHE 37 CO 0.02 -0.41 0.02 1.03 0.70 0.00 0.00 175.22 176.57 1ib1 s ARG 38 N 0.59 0.71 0.35 0.44 0.52 -0.92 -4.97 118.95 115.66 1ib1 s ARG 38 Ca -0.10 -1.24 -0.26 0.00 -0.52 0.00 0.00 55.73 53.61 1ib1 s ARG 38 Cb -0.16 0.23 -0.09 0.00 0.52 0.00 0.00 34.95 35.45 1ib1 s ARG 38 CO 0.03 -0.16 1.02 0.00 0.02 0.00 0.00 175.30 176.21 1ib1 s LEU 40 N -2.20 3.56 0.28 0.00 1.43 -1.26 -4.86 118.68 115.62 1ib1 s LEU 40 Ca 0.52 1.40 0.09 0.00 -1.03 0.00 0.00 54.13 55.12 1ib1 s LEU 40 Cb -0.22 -4.36 -0.04 0.00 0.03 0.00 0.00 46.19 41.59 1ib1 s LEU 40 CO 0.28 -0.63 0.03 0.42 0.23 0.00 0.00 176.35 176.69 1ib1 s THR 41 N -2.73 3.43 0.58 5.49 -4.23 -1.26 -4.78 115.64 112.13 1ib1 s THR 41 Ca 0.56 -1.85 0.28 0.00 -1.18 0.00 0.00 61.69 59.50 1ib1 s THR 41 Cb -0.10 -2.90 0.38 0.00 1.34 0.00 0.00 72.50 71.21 1ib1 s THR 41 CO 0.38 -0.34 1.99 -0.65 -0.54 0.00 0.00 174.62 175.46 1ib1 h PRO 42 N 1.80 0.00 0.00 3.99 0.11 -1.90 0.13 132.00 136.14 1ib1 h PRO 42 Ca -0.44 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 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 0.61 0.00 -0.09 0.93 -0.21 0.00 0.00 178.00 179.24 1ib1 h GLU 43 N 0.00 0.00 -0.00 1.05 3.07 -1.96 -2.63 114.58 114.10 1ib1 h GLU 43 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 1ib1 h GLU 43 Cb 0.91 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 1ib1 h GLU 43 CO -0.00 0.09 0.00 -0.25 -1.40 0.00 0.00 179.01 177.45 1ib1 n ASP 44 N -3.22 0.18 -0.24 1.42 8.00 0.46 -4.11 116.55 119.05 1ib1 n ASP 44 Ca 0.01 -1.10 -0.06 0.00 0.71 0.00 0.00 54.79 54.34 1ib1 n ASP 44 Cb 0.37 -0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.51 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 4.00 0.86 -0.98 2.24 0.00 -1.57 -2.57 119.26 121.24 1ib1 h ALA 45 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ib1 h ALA 45 Cb 0.06 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 1ib1 h ALA 45 CO 0.00 0.42 0.64 0.00 0.00 0.00 0.00 179.25 180.31 1ib1 h ALA 46 N 1.15 1.26 0.00 0.00 0.00 -1.83 -1.62 119.26 118.22 1ib1 h ALA 46 Ca 0.23 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1ib1 h ALA 46 Cb 0.11 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1ib1 h ALA 46 CO -0.03 0.58 -0.39 0.78 0.00 0.00 0.00 179.25 180.19 1ib1 h GLY 47 N 1.28 0.00 0.52 0.00 0.00 -1.79 -0.59 103.07 102.50 1ib1 h GLY 47 Ca 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 1ib1 h GLY 47 CO -0.10 0.00 -0.18 -2.08 0.00 0.00 0.00 176.54 174.18 1ib1 h VAL 48 N 0.00 0.38 -0.68 4.60 2.07 -0.93 -2.86 116.25 118.83 1ib1 h VAL 48 Ca -0.00 -0.66 0.11 0.00 0.82 0.00 0.00 66.70 66.96 1ib1 h VAL 48 Cb 0.75 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1ib1 h VAL 48 CO 0.05 0.08 0.45 0.15 0.02 0.00 0.00 177.57 178.32 1ib1 h PHE 49 N -1.00 0.53 -0.71 1.57 3.57 -1.24 0.31 116.94 119.97 1ib1 h PHE 49 Ca -0.05 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 1ib1 h PHE 49 Cb 0.53 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 1ib1 h PHE 49 CO 0.03 0.24 0.25 0.93 -2.23 0.00 0.00 178.31 177.53 1ib1 h GLU 50 N 0.48 1.07 -0.01 1.11 4.39 -1.08 0.17 114.58 120.72 1ib1 h GLU 50 Ca 0.32 -0.20 -0.16 0.00 0.34 0.00 0.00 59.36 59.66 1ib1 h GLU 50 Cb 0.59 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1ib1 h GLU 50 CO -0.10 0.89 -0.75 0.82 -1.16 0.00 0.00 179.01 178.71 1ib1 h ILE 51 N 1.04 1.50 -0.27 3.13 2.04 -0.78 -3.02 117.51 121.14 1ib1 h ILE 51 Ca 0.23 -2.45 -0.06 0.00 1.00 0.00 0.00 64.86 63.59 1ib1 h ILE 51 Cb 0.24 2.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 1ib1 h ILE 51 CO -0.01 0.71 -0.09 -0.33 0.00 0.00 0.00 178.15 178.42 1ib1 h GLU 52 N 0.05 0.43 -0.68 2.37 5.08 -0.42 0.18 114.58 121.59 1ib1 h GLU 52 Ca -0.02 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1ib1 h GLU 52 Cb 1.31 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 1ib1 h GLU 52 CO 0.10 0.53 0.43 0.00 -1.00 0.00 0.00 179.01 179.08 1ib1 h ARG 53 N 0.41 0.91 0.00 2.33 3.08 -0.85 0.34 114.38 120.60 1ib1 h ARG 53 Ca 0.08 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1ib1 h ARG 53 Cb 0.42 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1ib1 h ARG 53 CO 0.02 0.62 -0.34 1.49 -1.07 0.00 0.00 179.97 180.70 1ib1 h GLU 54 N 0.93 0.00 -0.95 0.04 4.22 -1.48 -2.34 114.58 115.00 1ib1 h GLU 54 Ca 0.25 0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.75 1ib1 h GLU 54 Cb -0.07 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.11 1ib1 h GLU 54 CO -0.05 0.15 0.61 0.00 -2.18 0.00 0.00 179.01 177.53 1ib1 h ALA 55 N -0.89 1.31 -0.44 2.92 0.00 -1.04 -3.32 119.26 117.80 1ib1 h ALA 55 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ib1 h ALA 55 Cb 0.40 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ib1 h ALA 55 CO -0.02 0.40 0.00 1.19 0.00 0.00 0.00 179.25 180.83 1ib1 n PHE 56 N -4.53 0.00 -0.45 0.00 3.72 0.04 -4.68 117.46 111.55 1ib1 n PHE 56 Ca 0.14 0.00 0.38 0.00 -0.05 0.00 0.00 57.45 57.92 1ib1 n PHE 56 Cb 0.17 0.00 0.70 0.00 -0.94 0.00 0.00 39.48 39.40 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 0.00 0.25 0.00 4.37 2.04 -0.89 0.17 117.51 123.45 1ib1 h ILE 57 Ca 0.00 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1ib1 h ILE 57 Cb 0.00 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.22 1ib1 h ILE 57 CO 0.00 0.02 -0.04 0.77 0.00 0.00 0.00 178.15 178.90 1ib1 h SER 58 N 0.09 0.00 0.00 1.72 4.64 -1.52 0.56 113.55 119.04 1ib1 h SER 58 Ca 0.74 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.77 1ib1 h SER 58 Cb 2.58 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.63 1ib1 h SER 58 CO -0.19 0.04 -1.78 0.52 -0.87 0.00 0.00 176.83 174.55 1ib1 n VAL 59 N -3.12 1.52 0.67 0.95 0.31 0.59 -4.71 118.33 114.53 1ib1 n VAL 59 Ca 0.02 -0.15 0.09 0.00 -0.01 0.00 0.00 64.34 64.29 1ib1 n VAL 59 Cb 0.45 -2.05 -0.11 0.00 -0.91 0.00 0.00 33.84 31.22 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 -4.37 0.83 0.00 4.52 3.41 -1.04 -4.97 113.62 112.00 1ib1 n SER 60 Ca -0.38 -0.73 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 1ib1 n SER 60 Cb 0.72 1.17 0.00 0.00 -0.26 0.00 0.00 64.21 65.84 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 0.62 3.22 5.00 0.00 0.19 -5.00 105.19 110.65 1ib1 n GLY 61 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.28 1.29 0.02 1.61 0.01 -1.26 -4.89 114.94 109.44 1ib1 s ASN 62 Ca 0.00 -1.10 -0.13 0.00 -0.71 0.00 0.00 52.86 50.92 1ib1 s ASN 62 Cb 0.00 0.09 0.02 0.00 0.41 0.00 0.00 41.25 41.77 1ib1 s ASN 62 CO 0.00 -0.50 0.28 0.00 -1.51 0.00 0.00 177.10 175.37 1ib1 h PRO 64 N 3.55 -0.13 -3.87 0.00 0.11 -1.95 -3.43 132.00 126.28 1ib1 h PRO 64 Ca -0.31 0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.49 1ib1 h PRO 64 Cb 1.19 0.03 -0.31 0.00 0.11 0.00 0.00 31.00 32.02 1ib1 h PRO 64 CO 0.44 -0.09 -0.74 -0.51 -0.21 0.00 0.00 178.00 176.89 1ib1 s LEU 65 N -10.56 1.55 0.59 2.35 1.43 -1.26 -5.03 118.68 107.76 1ib1 s LEU 65 Ca -0.14 -0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 52.86 1ib1 s LEU 65 Cb 0.13 -0.19 0.01 0.00 0.03 0.00 0.00 46.19 46.17 1ib1 s LEU 65 CO 0.69 -0.04 0.90 0.54 0.23 0.00 0.00 176.35 178.67 1ib1 s ASN 66 N 0.52 5.58 0.27 2.29 2.20 -1.26 -4.73 114.94 119.80 1ib1 s ASN 66 Ca -0.05 0.70 -0.08 0.00 -0.94 0.00 0.00 52.86 52.49 1ib1 s ASN 66 Cb -0.08 -1.69 0.44 0.00 -2.00 0.00 0.00 41.25 37.92 1ib1 s ASN 66 CO -0.01 -1.07 1.58 0.25 -2.94 0.00 0.00 177.10 174.91 1ib1 h LEU 67 N -0.17 -0.80 -0.05 3.54 5.85 -1.96 0.99 115.31 122.71 1ib1 h LEU 67 Ca -0.45 0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.57 1ib1 h LEU 67 Cb 1.26 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 42.81 1ib1 h LEU 67 CO 0.61 -0.30 -0.12 0.44 -0.34 0.00 0.00 178.44 178.72 1ib1 h ASP 68 N 0.00 -0.37 -0.78 1.25 5.19 -1.98 0.37 116.42 120.11 1ib1 h ASP 68 Ca 0.45 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.92 1ib1 h ASP 68 Cb 0.71 0.17 -0.04 0.00 0.18 0.00 0.00 39.33 40.35 1ib1 h ASP 68 CO -0.93 -0.17 0.49 -0.33 -3.12 0.00 0.00 179.24 175.18 1ib1 h GLU 69 N -0.19 1.05 -0.13 3.56 5.08 -1.26 -0.05 114.58 122.64 1ib1 h GLU 69 Ca 0.06 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1ib1 h GLU 69 Cb 0.27 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1ib1 h GLU 69 CO -0.16 0.72 -0.02 0.28 -1.00 0.00 0.00 179.01 178.83 1ib1 h VAL 70 N 1.07 1.27 -0.83 3.13 2.07 -0.59 -2.71 116.25 119.66 1ib1 h VAL 70 Ca 0.28 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1ib1 h VAL 70 Cb -0.08 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1ib1 h VAL 70 CO -0.06 0.26 0.52 1.56 0.02 0.00 0.00 177.57 179.88 1ib1 h GLN 71 N -0.05 1.12 0.46 1.57 4.20 -0.61 -2.16 115.11 119.63 1ib1 h GLN 71 Ca 0.04 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1ib1 h GLN 71 Cb 0.41 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1ib1 h GLN 71 CO 0.01 0.77 -0.45 1.25 -0.67 0.00 0.00 178.83 179.74 1ib1 h HIS 72 N 1.14 -1.22 -0.26 2.96 2.76 -0.82 -1.84 115.15 117.87 1ib1 h HIS 72 Ca 0.30 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.48 1ib1 h HIS 72 Cb -0.08 0.47 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 1ib1 h HIS 72 CO 0.00 -0.61 0.15 0.74 -1.30 0.00 0.00 177.93 176.91 1ib1 h PHE 73 N -0.91 0.33 0.00 5.26 0.04 -1.29 0.01 116.94 120.38 1ib1 h PHE 73 Ca -0.05 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 1ib1 h PHE 73 Cb 0.80 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.83 1ib1 h PHE 73 CO -0.23 0.23 -0.12 -0.07 -0.60 0.00 0.00 178.31 177.52 1ib1 h LEU 74 N 0.35 0.00 0.09 1.54 3.38 -1.08 0.11 115.31 119.71 1ib1 h LEU 74 Ca 0.09 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.75 1ib1 h LEU 74 Cb -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1ib1 h LEU 74 CO -0.02 0.12 -1.70 0.74 0.09 0.00 0.00 178.44 177.67 1ib1 h THR 75 N 0.00 0.77 0.04 0.22 2.02 -0.55 -3.26 112.91 112.15 1ib1 h THR 75 Ca -0.00 -2.31 -0.00 0.00 0.77 0.00 0.00 66.41 64.86 1ib1 h THR 75 Cb 0.79 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.67 1ib1 h THR 75 CO 0.02 0.71 -0.02 0.25 0.37 0.00 0.00 175.52 176.85 1ib1 h LEU 76 N -0.27 -0.04 -5.95 2.58 6.46 -1.00 -3.41 115.31 113.68 1ib1 h LEU 76 Ca -0.38 -0.50 -0.52 0.00 -0.12 0.00 0.00 57.88 56.35 1ib1 h LEU 76 Cb 1.80 0.01 -0.38 0.00 -0.73 0.00 0.00 40.66 41.36 1ib1 h LEU 76 CO 0.01 0.50 -1.10 0.00 -0.62 0.00 0.00 178.44 177.23 1ib1 h PRO 78 N 3.73 0.00 0.00 0.00 0.13 -1.59 -1.60 132.00 132.67 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 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1ib1 h PRO 78 CO 0.46 0.04 0.00 -0.85 -0.23 0.00 0.00 178.00 177.42 1ib1 n GLU 79 N -3.58 0.11 -0.79 0.86 0.00 -1.26 -1.66 120.64 114.32 1ib1 n GLU 79 Ca -0.02 0.35 0.08 0.00 0.00 0.00 0.00 57.16 57.57 1ib1 n GLU 79 Cb 0.14 -1.70 0.39 0.00 0.00 0.00 0.00 31.44 30.26 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 -1.90 5.37 -4.32 -1.84 4.77 -0.60 -4.87 117.00 113.61 1ib1 n LEU 80 Ca 0.03 -2.74 -0.18 0.00 -0.03 0.00 0.00 56.01 53.09 1ib1 n LEU 80 Cb 0.20 -0.65 -0.10 0.00 -2.33 0.00 0.00 43.42 40.54 1ib1 n LEU 80 CO 0.16 0.71 -0.44 -0.94 -1.33 0.00 0.00 177.39 175.56 1ib1 s SER 81 N -0.84 2.42 -0.27 -1.43 1.04 -0.66 -1.82 113.70 112.13 1ib1 s SER 81 Ca 0.54 -1.01 -0.22 0.00 0.48 0.00 0.00 55.95 55.73 1ib1 s SER 81 Cb 0.38 -0.11 0.08 0.00 0.10 0.00 0.00 66.02 66.47 1ib1 s SER 81 CO 0.20 -0.19 0.75 -0.22 0.98 0.00 0.00 173.24 174.76 1ib1 s LEU 82 N -3.24 -0.76 0.05 2.42 2.96 -0.79 -4.25 118.68 115.07 1ib1 s LEU 82 Ca 0.21 1.39 0.04 0.00 -0.22 0.00 0.00 54.13 55.55 1ib1 s LEU 82 Cb -0.00 2.37 -0.03 0.00 0.50 0.00 0.00 46.19 49.03 1ib1 s LEU 82 CO 0.06 -0.23 -0.11 -0.83 -1.32 0.00 0.00 176.35 173.91 1ib1 s GLY 83 N 0.71 0.70 -0.30 7.98 0.00 -0.32 -1.33 107.32 114.76 1ib1 s GLY 83 Ca -0.02 -0.86 -0.17 0.00 0.00 0.00 0.00 44.72 43.67 1ib1 s GLY 83 CO -0.05 -0.89 0.45 0.86 0.00 0.00 0.00 173.10 173.46 1ib1 s TRP 84 N -1.22 3.22 -0.38 1.90 -0.11 0.07 -2.17 118.94 120.25 1ib1 s TRP 84 Ca -0.05 0.33 -0.11 0.00 1.22 0.00 0.00 56.10 57.50 1ib1 s TRP 84 Cb -0.09 -2.73 0.03 0.00 -1.50 0.00 0.00 33.47 29.17 1ib1 s TRP 84 CO 0.01 -0.37 0.20 -0.06 -4.62 0.00 0.00 176.95 172.12 1ib1 s PHE 85 N 2.22 3.25 -0.60 5.86 0.40 -0.18 -2.14 117.98 126.80 1ib1 s PHE 85 Ca 0.17 -1.01 -0.24 0.00 -0.60 0.00 0.00 56.93 55.25 1ib1 s PHE 85 Cb -0.16 -2.44 0.05 0.00 0.51 0.00 0.00 43.02 40.98 1ib1 s PHE 85 CO 0.11 -0.66 0.97 0.08 0.70 0.00 0.00 175.22 176.42 1ib1 s VAL 86 N 1.54 4.33 -1.55 -0.44 1.01 0.95 -1.76 120.40 124.47 1ib1 s VAL 86 Ca 0.02 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 1ib1 s VAL 86 Cb -0.19 -4.61 0.07 0.00 0.00 0.00 0.00 36.38 31.65 1ib1 s VAL 86 CO 0.06 -1.27 0.50 -0.62 0.00 0.00 0.00 175.10 173.77 1ib1 n GLU 87 N 7.66 -2.81 -0.03 2.72 1.02 -1.26 -0.94 120.64 127.00 1ib1 n GLU 87 Ca 0.00 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 1ib1 n GLU 87 Cb 0.47 -4.61 0.00 0.00 -0.02 0.00 0.00 31.44 27.28 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 -1.83 0.58 3.64 0.62 0.00 -1.26 -4.76 105.19 102.19 1ib1 n GLY 88 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.81 3.96 -0.32 1.61 3.52 -0.12 -5.06 118.95 121.74 1ib1 s ARG 89 Ca 0.00 -0.34 -0.28 0.00 -0.13 0.00 0.00 55.73 54.98 1ib1 s ARG 89 Cb 0.00 -3.21 0.01 0.00 -1.56 0.00 0.00 34.95 30.19 1ib1 s ARG 89 CO 0.00 0.29 1.02 -1.17 -0.81 0.00 0.00 175.30 174.63 1ib1 s LEU 90 N 0.32 3.97 0.00 -0.88 2.96 -1.26 -0.04 118.68 123.75 1ib1 s LEU 90 Ca 0.03 0.98 0.00 0.00 -0.22 0.00 0.00 54.13 54.92 1ib1 s LEU 90 Cb -0.12 -3.45 0.00 0.00 0.50 0.00 0.00 46.19 43.11 1ib1 s LEU 90 CO 0.00 -0.83 0.24 1.33 -1.32 0.00 0.00 176.35 175.77 1ib1 n VAL 91 N 5.80 0.00 -3.63 1.68 0.24 -0.91 -4.98 118.33 116.53 1ib1 n VAL 91 Ca 0.10 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.34 61.77 1ib1 n VAL 91 Cb 0.47 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.78 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 -0.51 -1.80 0.22 2.33 0.00 -1.23 0.06 121.76 120.83 1ib1 s ALA 92 Ca 0.00 2.01 -0.03 0.00 0.00 0.00 0.00 51.96 53.93 1ib1 s ALA 92 Cb 0.00 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 1ib1 s ALA 92 CO 0.00 -0.33 0.23 -0.59 0.00 0.00 0.00 175.76 175.07 1ib1 s PHE 93 N 0.34 1.00 -0.18 0.00 -0.12 -0.73 -0.75 117.98 117.54 1ib1 s PHE 93 Ca 0.00 -1.24 -0.05 0.00 -0.05 0.00 0.00 56.93 55.60 1ib1 s PHE 93 Cb -0.05 -0.37 0.09 0.00 -0.63 0.00 0.00 43.02 42.06 1ib1 s PHE 93 CO 0.00 -0.75 0.32 0.42 -0.05 0.00 0.00 175.22 175.16 1ib1 s ILE 94 N -4.05 -0.50 -0.20 -4.49 1.01 -0.44 -2.53 121.20 110.00 1ib1 s ILE 94 Ca 0.35 0.12 -0.07 0.00 0.00 0.00 0.00 60.65 61.05 1ib1 s ILE 94 Cb 0.05 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 1ib1 s ILE 94 CO 0.12 0.01 0.07 -0.63 0.00 0.00 0.00 174.94 174.51 1ib1 s ILE 95 N 2.48 4.69 0.35 2.92 -1.09 -0.72 -1.88 121.20 127.95 1ib1 s ILE 95 Ca 0.04 -0.06 0.07 0.00 -2.23 0.00 0.00 60.65 58.46 1ib1 s ILE 95 Cb -0.13 -3.13 -0.03 0.00 -1.58 0.00 0.00 42.46 37.59 1ib1 s ILE 95 CO -0.12 0.42 0.24 0.61 -1.23 0.00 0.00 174.94 174.87 1ib1 n GLY 96 N 3.90 3.01 3.80 6.18 0.00 -0.76 -0.76 105.19 120.56 1ib1 n GLY 96 Ca -0.16 -1.95 -0.04 0.00 0.00 0.00 0.00 46.02 43.86 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 -3.35 -0.12 -0.05 1.61 1.04 -0.90 -4.69 113.70 107.24 1ib1 s SER 97 Ca 0.34 -0.57 -0.11 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 0.24 -1.05 0.30 -0.76 0.98 0.00 0.00 173.24 172.95 1ib1 s LEU 98 N -3.06 4.44 0.18 2.42 1.43 -1.26 -0.34 118.68 122.48 1ib1 s LEU 98 Ca 0.15 0.75 0.11 0.00 -1.03 0.00 0.00 54.13 54.11 1ib1 s LEU 98 Cb -0.02 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 1ib1 s LEU 98 CO 0.04 0.36 -0.23 0.86 0.23 0.00 0.00 176.35 177.61 1ib1 s TRP 99 N -1.07 2.22 -0.22 0.29 -0.00 -0.53 0.08 118.94 119.71 1ib1 s TRP 99 Ca 0.20 -0.38 0.14 0.00 -0.00 0.00 0.00 56.10 56.06 1ib1 s TRP 99 Cb -0.15 -1.11 0.45 0.00 -0.00 0.00 0.00 33.47 32.66 1ib1 s TRP 99 CO 0.10 0.46 1.18 -0.40 -0.00 0.00 0.00 176.95 178.29 1ib1 n ASP 100 N 0.35 2.78 -4.06 5.86 5.68 -1.26 -1.81 116.55 124.08 1ib1 n ASP 100 Ca -0.13 -3.26 -0.08 0.00 -0.50 0.00 0.00 54.79 50.82 1ib1 n ASP 100 Cb 0.56 -0.42 -0.10 0.00 -1.14 0.00 0.00 41.12 40.02 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 -3.00 0.69 0.06 0.11 2.02 -1.26 -4.96 118.70 112.36 1ib1 s GLU 101 Ca 0.40 -1.21 -0.24 0.00 0.02 0.00 0.00 54.97 53.95 1ib1 s GLU 101 Cb 0.38 0.24 -0.16 0.00 0.10 0.00 0.00 34.13 34.68 1ib1 s GLU 101 CO -0.04 -0.16 1.58 1.49 0.02 0.00 0.00 175.26 178.16 1ib1 h GLU 102 N 3.05 0.02 -6.13 1.61 4.22 -2.05 -3.44 114.58 111.86 1ib1 h GLU 102 Ca -0.34 -0.00 -0.56 0.00 0.08 0.00 0.00 59.36 58.54 1ib1 h GLU 102 Cb 1.16 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.36 1ib1 h GLU 102 CO 0.63 0.18 -0.52 1.03 -2.18 0.00 0.00 179.01 178.16 1ib1 s ARG 103 N -5.53 3.15 0.26 1.92 1.81 -1.26 -5.10 118.95 114.20 1ib1 s ARG 103 Ca -0.14 -0.75 -0.20 0.00 -1.72 0.00 0.00 55.73 52.92 1ib1 s ARG 103 Cb 0.05 -2.79 -0.09 0.00 -0.45 0.00 0.00 34.95 31.67 1ib1 s ARG 103 CO 0.67 0.50 0.77 -0.51 -0.68 0.00 0.00 175.30 176.05 1ib1 s LEU 104 N -3.18 4.28 0.38 2.53 1.43 -1.26 -5.02 118.68 117.83 1ib1 s LEU 104 Ca 0.33 1.48 0.06 0.00 -1.03 0.00 0.00 54.13 54.96 1ib1 s LEU 104 Cb -0.10 -3.78 -0.07 0.00 0.03 0.00 0.00 46.19 42.26 1ib1 s LEU 104 CO 0.26 -0.04 0.03 0.42 0.23 0.00 0.00 176.35 177.25 1ib1 s THR 105 N -1.64 1.67 0.10 5.49 -4.23 -1.26 -4.20 115.64 111.56 1ib1 s THR 105 Ca 0.47 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.70 1ib1 s THR 105 Cb -0.16 -2.91 -0.11 0.00 1.34 0.00 0.00 72.50 70.66 1ib1 s THR 105 CO 0.20 0.00 1.65 -0.61 -0.54 0.00 0.00 174.62 175.33 1ib1 h GLN 106 N 1.90 -0.47 -0.03 3.99 5.75 -1.97 -2.52 115.11 121.75 1ib1 h GLN 106 Ca -0.43 0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.11 1ib1 h GLN 106 Cb 1.24 0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.90 1ib1 h GLN 106 CO 0.76 -0.31 0.17 1.05 -2.65 0.00 0.00 178.83 177.85 1ib1 h GLU 107 N -0.49 0.00 0.00 1.69 4.11 -1.97 -2.01 114.58 115.91 1ib1 h GLU 107 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ib1 h GLU 107 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1ib1 h GLU 107 CO -0.07 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 177.88 1ib1 n SER 108 N -3.14 0.00 -0.08 3.06 3.41 -0.95 -2.90 113.62 113.02 1ib1 n SER 108 Ca -0.02 0.45 -0.02 0.00 -0.26 0.00 0.00 58.87 59.03 1ib1 n SER 108 Cb 0.24 -0.47 0.23 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.66 -3.11 1.04 3.38 -1.52 -2.97 115.31 112.79 1ib1 h LEU 109 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1ib1 h LEU 109 Cb 0.21 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1ib1 h LEU 109 CO 0.00 0.69 0.00 0.00 0.09 0.00 0.00 178.44 179.22 1ib1 n ALA 110 N -2.47 2.67 -2.46 1.53 0.00 -1.14 -5.02 120.51 113.62 1ib1 n ALA 110 Ca 0.03 -1.83 -0.31 0.00 0.00 0.00 0.00 53.44 51.33 1ib1 n ALA 110 Cb 0.24 -0.60 -0.13 0.00 0.00 0.00 0.00 19.45 18.96 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 -2.08 2.64 -0.12 0.00 1.43 -1.12 -5.10 118.68 114.33 1ib1 s LEU 111 Ca 0.34 -0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1ib1 s LEU 111 Cb 0.25 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.96 1ib1 s LEU 111 CO 0.12 0.27 -0.09 -2.28 0.23 0.00 0.00 176.35 174.60 1ib1 s HIS 112 N -0.89 1.58 -0.46 0.29 5.65 -1.26 -4.61 115.29 115.58 1ib1 s HIS 112 Ca 0.14 -0.80 -0.09 0.00 0.25 0.00 0.00 55.06 54.56 1ib1 s HIS 112 Cb -0.11 -1.28 0.11 0.00 -1.18 0.00 0.00 32.58 30.13 1ib1 s HIS 112 CO 0.05 -0.52 0.33 1.03 -0.65 0.00 0.00 174.74 174.97 1ib1 s ARG 113 N 1.62 2.51 0.29 2.88 1.81 0.11 -4.90 118.95 123.27 1ib1 s ARG 113 Ca 0.04 -1.70 0.02 0.00 -1.72 0.00 0.00 55.73 52.37 1ib1 s ARG 113 Cb -0.13 -3.90 0.71 0.00 -0.45 0.00 0.00 34.95 31.18 1ib1 s ARG 113 CO -0.08 -1.15 1.65 -1.35 -0.68 0.00 0.00 175.30 173.69 1ib1 h PRO 114 N 8.45 0.21 -0.85 3.54 0.11 -1.98 0.31 132.00 141.79 1ib1 h PRO 114 Ca -0.22 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.73 1ib1 h PRO 114 Cb 1.08 -0.05 -0.09 0.00 0.11 0.00 0.00 31.00 32.05 1ib1 h PRO 114 CO 0.84 0.14 0.20 0.54 -0.21 0.00 0.00 178.00 179.51 1ib1 n ARG 115 N -5.22 2.81 -1.29 1.05 1.74 -1.26 -4.95 116.66 109.54 1ib1 n ARG 115 Ca 0.21 -2.05 -0.29 0.00 -0.77 0.00 0.00 57.85 54.95 1ib1 n ARG 115 Cb 0.68 -1.91 0.20 0.00 -1.02 0.00 0.00 32.46 30.41 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 -0.52 1.60 0.00 -0.13 0.00 0.11 -4.96 107.32 103.42 1ib1 s GLY 116 Ca 0.37 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 44.35 1ib1 s GLY 116 CO 0.09 -0.00 0.21 -2.39 0.00 0.00 0.00 173.10 171.01 1ib1 n HIS 117 N -4.30 0.00 -4.84 1.90 1.44 -0.75 -4.64 115.22 104.04 1ib1 n HIS 117 Ca 0.10 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.54 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 -0.09 2.24 -0.54 4.39 0.01 -1.07 -0.13 113.70 118.52 1ib1 s SER 118 Ca 0.00 -0.38 -0.27 0.00 1.31 0.00 0.00 55.95 56.61 1ib1 s SER 118 Cb 0.00 -0.89 0.03 0.00 0.21 0.00 0.00 66.02 65.38 1ib1 s SER 118 CO 0.00 0.11 1.08 0.00 0.41 0.00 0.00 173.24 174.84 1ib1 s ALA 119 N 0.36 3.10 -0.52 1.44 0.00 0.09 -1.45 121.76 124.77 1ib1 s ALA 119 Ca -0.12 -0.87 -0.24 0.00 0.00 0.00 0.00 51.96 50.73 1ib1 s ALA 119 Cb -0.15 -3.88 0.04 0.00 0.00 0.00 0.00 23.12 19.13 1ib1 s ALA 119 CO 0.04 -2.44 0.91 -1.58 0.00 0.00 0.00 175.76 172.69 1ib1 s HIS 120 N 4.46 2.85 -0.73 0.00 5.04 0.53 -0.85 115.29 126.59 1ib1 s HIS 120 Ca 0.40 0.06 -0.26 0.00 -1.54 0.00 0.00 55.06 53.73 1ib1 s HIS 120 Cb -0.09 -3.99 0.04 0.00 0.04 0.00 0.00 32.58 28.58 1ib1 s HIS 120 CO 0.25 -1.26 1.20 -0.51 -2.34 0.00 0.00 174.74 172.08 1ib1 s LEU 121 N 3.80 3.51 0.14 8.88 1.02 0.19 -2.12 118.68 134.10 1ib1 s LEU 121 Ca 0.31 -0.64 -0.12 0.00 0.02 0.00 0.00 54.13 53.71 1ib1 s LEU 121 Cb -0.12 -2.52 -0.02 0.00 0.02 0.00 0.00 46.19 43.55 1ib1 s LEU 121 CO 0.21 -1.72 1.52 0.45 0.02 0.00 0.00 176.35 176.83 1ib1 h HIS 122 N 9.89 1.03 -2.82 0.29 3.86 -1.25 -3.42 115.15 122.73 1ib1 h HIS 122 Ca -0.27 -0.26 -0.12 0.00 -1.16 0.00 0.00 60.37 58.57 1ib1 h HIS 122 Cb 1.05 -0.24 -0.23 0.00 1.06 0.00 0.00 27.41 29.06 1ib1 h HIS 122 CO 1.09 1.04 -0.25 0.00 0.86 0.00 0.00 177.93 180.68 1ib1 s ALA 123 N -4.64 -0.95 -0.04 2.45 0.00 -1.16 -4.84 121.76 112.57 1ib1 s ALA 123 Ca -0.12 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 1ib1 s ALA 123 Cb 0.11 -0.43 0.03 0.00 0.00 0.00 0.00 23.12 22.83 1ib1 s ALA 123 CO 0.85 -0.21 0.04 -1.17 0.00 0.00 0.00 175.76 175.27 1ib1 s LEU 124 N -0.24 0.42 -0.03 0.00 2.96 -1.26 -1.76 118.68 118.77 1ib1 s LEU 124 Ca -0.04 0.04 -0.19 0.00 -0.22 0.00 0.00 54.13 53.72 1ib1 s LEU 124 Cb -0.03 -0.19 0.04 0.00 0.50 0.00 0.00 46.19 46.50 1ib1 s LEU 124 CO 0.02 -0.21 0.40 0.00 -1.32 0.00 0.00 176.35 175.24 1ib1 s ALA 125 N 1.90 -1.03 -0.03 5.97 0.00 -1.05 -5.03 121.76 122.49 1ib1 s ALA 125 Ca 0.02 0.61 0.08 0.00 0.00 0.00 0.00 51.96 52.66 1ib1 s ALA 125 Cb -0.12 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 1ib1 s ALA 125 CO -0.03 -0.28 -0.25 0.08 0.00 0.00 0.00 175.76 175.27 1ib1 s VAL 126 N -1.20 2.08 0.29 0.00 1.01 -1.26 -1.76 120.40 119.55 1ib1 s VAL 126 Ca -0.12 -1.09 -0.30 0.00 0.00 0.00 0.00 61.98 60.47 1ib1 s VAL 126 Cb -0.04 -1.72 -0.12 0.00 0.00 0.00 0.00 36.38 34.50 1ib1 s VAL 126 CO 0.05 0.58 1.60 1.57 0.00 0.00 0.00 175.10 178.90 1ib1 n HIS 127 N 2.53 2.82 -0.38 5.22 -0.00 0.11 -4.83 115.22 120.68 1ib1 n HIS 127 Ca -0.16 0.25 0.33 0.00 0.46 0.00 0.00 57.72 58.59 1ib1 n HIS 127 Cb 0.51 -2.60 0.65 0.00 -0.12 0.00 0.00 29.99 28.44 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 4.89 0.15 -0.01 1.57 0.11 -1.95 0.83 114.38 119.97 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 1.23 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1ib1 h ARG 128 CO 0.80 0.10 0.00 0.43 0.10 0.00 0.00 179.97 181.40 1ib1 n SER 129 N -4.42 0.22 0.00 0.08 7.64 -1.26 -3.67 113.62 112.21 1ib1 n SER 129 Ca 0.29 -1.28 0.00 0.00 1.01 0.00 0.00 58.87 58.89 1ib1 n SER 129 Cb 1.22 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.41 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 -0.73 0.00 -1.27 1.43 3.01 0.27 -5.09 117.46 115.08 1ib1 n PHE 130 Ca 0.18 -0.11 -0.30 0.00 1.01 0.00 0.00 57.45 58.23 1ib1 n PHE 130 Cb 0.12 -0.01 0.13 0.00 -0.01 0.00 0.00 39.48 39.71 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 -0.23 1.39 -1.34 -1.08 0.52 -1.10 -3.83 118.95 113.29 1ib1 s ARG 131 Ca 0.00 0.77 -0.02 0.00 -0.52 0.00 0.00 55.73 55.97 1ib1 s ARG 131 Cb 0.00 -1.83 0.01 0.00 0.52 0.00 0.00 34.95 33.65 1ib1 s ARG 131 CO 0.00 -2.13 0.13 1.04 0.02 0.00 0.00 175.30 174.36 1ib1 n GLN 132 N -3.80 -2.54 -0.01 3.54 1.13 -1.26 -4.83 117.38 109.60 1ib1 n GLN 132 Ca 0.07 0.73 0.01 0.00 -1.94 0.00 0.00 57.00 55.87 1ib1 n GLN 132 Cb 0.55 -5.39 0.01 0.00 0.11 0.00 0.00 30.24 25.52 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 -3.12 1.27 -0.46 -1.09 6.02 -1.25 -4.98 117.38 113.78 1ib1 n GLN 133 Ca -0.15 -1.12 0.00 0.00 -0.01 0.00 0.00 57.00 55.72 1ib1 n GLN 133 Cb 0.62 -1.03 0.00 0.00 1.02 0.00 0.00 30.24 30.86 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 -0.18 1.54 0.26 1.08 0.00 -1.26 -4.92 105.19 101.71 1ib1 n GLY 134 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 2.98 0.43 -0.27 1.61 1.57 -1.94 -1.99 116.57 118.95 1ib1 h LYS 135 Ca 0.00 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 1ib1 h LYS 135 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1ib1 h LYS 135 CO 0.00 0.48 -0.35 0.78 -0.57 0.00 0.00 179.45 179.79 1ib1 h GLY 136 N 0.77 0.65 1.00 3.86 0.00 -1.91 -1.87 103.07 105.57 1ib1 h GLY 136 Ca 0.09 -0.61 -0.13 0.00 0.00 0.00 0.00 47.33 46.69 1ib1 h GLY 136 CO 0.01 0.55 -0.30 1.76 0.00 0.00 0.00 176.54 178.56 1ib1 h SER 137 N 0.50 0.80 -0.55 0.19 0.02 -1.89 -1.52 113.55 111.10 1ib1 h SER 137 Ca 0.05 -0.47 -0.03 0.00 -0.84 0.00 0.00 61.79 60.50 1ib1 h SER 137 Cb 0.84 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 1ib1 h SER 137 CO 0.07 1.10 0.23 0.58 -1.14 0.00 0.00 176.83 177.67 1ib1 h VAL 138 N 0.50 1.21 0.08 2.27 2.07 -1.22 -0.37 116.25 120.79 1ib1 h VAL 138 Ca 0.05 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 1ib1 h VAL 138 Cb 0.88 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1ib1 h VAL 138 CO 0.08 0.27 -0.04 0.25 0.02 0.00 0.00 177.57 178.14 1ib1 h LEU 139 N 0.84 -0.09 -0.39 2.57 6.46 -1.26 -1.29 115.31 122.15 1ib1 h LEU 139 Ca 0.20 -0.35 0.02 0.00 -0.12 0.00 0.00 57.88 57.63 1ib1 h LEU 139 Cb 0.18 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 1ib1 h LEU 139 CO -0.02 0.31 0.21 0.25 -0.62 0.00 0.00 178.44 178.58 1ib1 h LEU 140 N -0.52 0.32 -0.13 2.25 5.85 -1.01 0.23 115.31 122.30 1ib1 h LEU 140 Ca -0.01 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1ib1 h LEU 140 Cb 0.44 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1ib1 h LEU 140 CO 0.02 0.23 0.00 -0.50 -0.34 0.00 0.00 178.44 177.85 1ib1 h TRP 141 N 0.43 -0.00 -0.47 1.25 -0.00 -1.11 -1.35 115.95 114.70 1ib1 h TRP 141 Ca 0.16 0.01 0.08 0.00 -0.00 0.00 0.00 58.89 59.14 1ib1 h TRP 141 Cb 0.04 0.02 -0.07 0.00 -0.00 0.00 0.00 29.16 29.16 1ib1 h TRP 141 CO -0.09 -0.01 0.09 -0.09 -0.00 0.00 0.00 178.44 178.33 1ib1 h ARG 142 N 0.05 0.21 -0.46 0.49 9.65 -0.54 -1.90 114.38 121.88 1ib1 h ARG 142 Ca 0.06 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.88 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 -0.10 0.14 0.10 -0.92 2.80 0.00 0.00 179.97 181.99 1ib1 h TYR 143 N 0.22 0.71 -0.18 2.20 3.20 -0.14 0.30 116.97 123.27 1ib1 h TYR 143 Ca 0.23 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 1ib1 h TYR 143 Cb 0.31 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1ib1 h TYR 143 CO -0.23 0.62 -0.26 -0.07 -1.64 0.00 0.00 178.16 176.58 1ib1 h LEU 144 N 0.67 0.33 0.11 2.82 3.38 -0.48 -1.30 115.31 120.85 1ib1 h LEU 144 Ca 0.15 -0.11 -0.27 0.00 0.09 0.00 0.00 57.88 57.74 1ib1 h LEU 144 Cb 0.27 -0.09 0.03 0.00 0.09 0.00 0.00 40.66 40.96 1ib1 h LEU 144 CO -0.00 0.60 -1.13 0.45 0.09 0.00 0.00 178.44 178.44 1ib1 h HIS 145 N 0.30 0.92 0.49 1.13 3.86 -0.89 -0.60 115.15 120.36 1ib1 h HIS 145 Ca 0.05 -0.58 -0.02 0.00 -1.16 0.00 0.00 60.37 58.65 1ib1 h HIS 145 Cb 0.62 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 29.01 1ib1 h HIS 145 CO 0.01 1.43 -0.29 1.25 0.86 0.00 0.00 177.93 181.19 1ib1 h HIS 146 N 0.16 -0.77 0.00 2.45 -0.00 -0.75 -1.94 115.15 114.29 1ib1 h HIS 146 Ca -0.17 -0.01 -0.17 0.00 -0.00 0.00 0.00 60.37 60.01 1ib1 h HIS 146 Cb 1.83 0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 29.48 1ib1 h HIS 146 CO 0.13 -0.45 -0.83 -0.39 -0.00 0.00 0.00 177.93 176.39 1ib1 h VAL 147 N -0.74 1.51 0.00 5.26 -1.51 -1.37 -3.22 116.25 116.18 1ib1 h VAL 147 Ca -0.06 -2.91 -0.02 0.00 -1.23 0.00 0.00 66.70 62.48 1ib1 h VAL 147 Cb 0.60 2.60 -0.00 0.00 -2.13 0.00 0.00 31.29 32.36 1ib1 h VAL 147 CO 0.06 0.81 -0.11 1.23 -1.23 0.00 0.00 177.57 178.33 1ib1 h GLY 148 N 2.78 0.00 2.00 5.19 0.00 -0.98 -1.68 103.07 110.38 1ib1 h GLY 148 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 1ib1 h GLY 148 CO 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 176.54 176.40 1ib1 h ALA 149 N 1.89 0.99 -2.11 3.60 0.00 -1.36 -3.42 119.26 118.85 1ib1 h ALA 149 Ca -0.00 -0.23 -0.56 0.00 0.00 0.00 0.00 54.91 54.12 1ib1 h ALA 149 Cb 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1ib1 h ALA 149 CO 0.01 0.31 0.99 -0.65 0.00 0.00 0.00 179.25 179.92 1ib1 s GLN 150 N -3.57 4.07 0.00 0.00 -0.21 -0.63 -4.90 119.66 114.42 1ib1 s GLN 150 Ca 0.01 1.67 0.00 0.00 0.02 0.00 0.00 55.36 57.06 1ib1 s GLN 150 Cb 0.10 -3.88 0.00 0.00 1.00 0.00 0.00 33.01 30.23 1ib1 s GLN 150 CO 0.65 -0.93 0.24 -2.30 -2.12 0.00 0.00 175.29 170.83 1ib1 n PRO 151 N 7.05 0.00 0.00 2.91 -0.02 -1.26 -1.58 135.00 142.10 1ib1 n PRO 151 Ca 0.16 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1ib1 n PRO 151 Cb 0.45 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 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 -0.74 1.43 -2.50 3.55 0.00 -1.26 -4.97 120.51 116.01 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 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.43 3.73 -0.47 0.00 1.01 -0.61 -4.34 120.40 118.30 1ib1 s VAL 153 Ca 0.00 0.10 0.23 0.00 0.00 0.00 0.00 61.98 62.31 1ib1 s VAL 153 Cb 0.00 -4.86 -0.14 0.00 0.00 0.00 0.00 36.38 31.38 1ib1 s VAL 153 CO 0.00 -1.79 0.94 0.54 0.00 0.00 0.00 175.10 174.79 1ib1 n ARG 154 N 9.24 0.39 -4.10 2.72 1.74 0.82 -4.20 116.66 123.27 1ib1 n ARG 154 Ca 0.12 -0.01 -0.11 0.00 -0.77 0.00 0.00 57.85 57.08 1ib1 n ARG 154 Cb 0.50 -1.62 -0.08 0.00 -1.02 0.00 0.00 32.46 30.24 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 -3.27 1.28 -0.01 5.56 3.52 -1.09 -0.18 118.95 124.76 1ib1 s ARG 155 Ca 0.01 -1.44 0.03 0.00 -0.13 0.00 0.00 55.73 54.21 1ib1 s ARG 155 Cb 0.14 0.35 -0.01 0.00 -1.56 0.00 0.00 34.95 33.86 1ib1 s ARG 155 CO 0.82 -0.47 -0.11 0.00 -0.81 0.00 0.00 175.30 174.73 1ib1 s ALA 156 N -4.08 0.97 0.02 6.12 0.00 0.75 -0.73 121.76 124.81 1ib1 s ALA 156 Ca 0.30 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.80 1ib1 s ALA 156 Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1ib1 s ALA 156 CO 0.09 0.22 -0.07 0.14 0.00 0.00 0.00 175.76 176.14 1ib1 s VAL 157 N -0.17 0.48 0.20 0.00 -7.23 -0.03 -0.42 120.40 113.23 1ib1 s VAL 157 Ca 0.03 -0.65 -0.23 0.00 -1.81 0.00 0.00 61.98 59.33 1ib1 s VAL 157 Cb -0.05 -0.48 0.05 0.00 0.56 0.00 0.00 36.38 36.46 1ib1 s VAL 157 CO -0.00 -0.12 0.66 -1.48 -0.31 0.00 0.00 175.10 173.84 1ib1 s LEU 158 N -0.84 -0.45 0.09 1.32 0.05 -0.91 -0.64 118.68 117.31 1ib1 s LEU 158 Ca -0.04 -0.22 0.09 0.00 0.05 0.00 0.00 54.13 54.01 1ib1 s LEU 158 Cb -0.06 2.62 -0.03 0.00 -2.05 0.00 0.00 46.19 46.67 1ib1 s LEU 158 CO 0.00 -1.09 -0.23 0.00 -0.55 0.00 0.00 176.35 174.48 1ib1 s MET 159 N -3.78 1.35 0.22 1.48 0.23 -1.26 -0.13 119.30 117.41 1ib1 s MET 159 Ca 0.05 -1.16 -0.15 0.00 -1.03 0.00 0.00 55.69 53.40 1ib1 s MET 159 Cb -0.03 -1.64 0.01 0.00 -1.53 0.00 0.00 34.83 31.64 1ib1 s MET 159 CO -0.06 0.40 0.49 0.00 -2.03 0.00 0.00 175.02 173.82 1ib1 s GLU 161 N -3.96 3.64 0.33 0.00 -1.05 -1.26 0.15 118.70 116.55 1ib1 s GLU 161 Ca 0.16 0.62 0.13 0.00 -0.15 0.00 0.00 54.97 55.74 1ib1 s GLU 161 Cb -0.01 -2.18 1.04 0.00 -0.44 0.00 0.00 34.13 32.54 1ib1 s GLU 161 CO 0.04 -0.42 1.66 -0.44 0.95 0.00 0.00 175.26 177.05 1ib1 h ASP 162 N 0.04 0.43 -0.90 0.83 3.45 -1.94 -1.50 116.42 116.82 1ib1 h ASP 162 Ca -0.45 0.20 0.12 0.00 0.43 0.00 0.00 57.03 57.33 1ib1 h ASP 162 Cb 1.19 0.16 -0.07 0.00 -0.56 0.00 0.00 39.33 40.06 1ib1 h ASP 162 CO 0.62 -0.15 0.58 0.00 -1.57 0.00 0.00 179.24 178.72 1ib1 h ALA 163 N 1.85 1.72 -0.00 3.45 0.00 -2.03 -2.08 119.26 122.17 1ib1 h ALA 163 Ca 0.71 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.63 1ib1 h ALA 163 Cb 1.60 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1ib1 h ALA 163 CO -0.62 0.06 -0.11 1.28 0.00 0.00 0.00 179.25 179.85 1ib1 n LEU 164 N -4.56 0.37 0.01 0.00 4.77 -0.57 -4.20 117.00 112.83 1ib1 n LEU 164 Ca 0.17 0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 56.13 1ib1 n LEU 164 Cb 0.40 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 1ib1 n LEU 164 CO 0.30 0.07 0.80 0.58 -1.33 0.00 0.00 177.39 177.81 1ib1 h VAL 165 N 0.41 0.73 -0.01 4.08 2.07 -1.41 -1.48 116.25 120.65 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 0.37 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1ib1 h VAL 165 CO 0.00 0.00 -0.08 -0.65 0.02 0.00 0.00 177.57 176.86 1ib1 h PRO 166 N -0.12 0.01 0.28 1.57 0.11 -1.78 -2.11 132.00 129.96 1ib1 h PRO 166 Ca 0.07 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 1ib1 h PRO 166 Cb 0.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1ib1 h PRO 166 CO -0.16 0.10 -0.13 0.35 -0.21 0.00 0.00 178.00 177.94 1ib1 h PHE 167 N 0.01 -0.34 0.00 0.65 3.57 -1.65 -3.13 116.94 116.05 1ib1 h PHE 167 Ca 0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1ib1 h PHE 167 Cb 0.16 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 1ib1 h PHE 167 CO 0.00 -0.05 -0.09 1.88 -2.23 0.00 0.00 178.31 177.82 1ib1 h TYR 168 N -0.64 0.00 0.00 0.41 0.05 -0.78 -1.84 116.97 114.17 1ib1 h TYR 168 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1ib1 h TYR 168 Cb 0.45 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.19 1ib1 h TYR 168 CO 0.01 0.09 0.00 1.96 -1.05 0.00 0.00 178.16 179.17 1ib1 h GLN 169 N 0.00 0.00 0.00 4.88 4.20 -1.34 -1.30 115.11 121.55 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 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1ib1 h GLN 169 CO 0.01 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.71 1ib1 n ARG 170 N -3.08 0.11 0.00 1.46 1.74 -0.69 -2.13 116.66 114.07 1ib1 n ARG 170 Ca -0.01 0.16 0.04 0.00 -0.77 0.00 0.00 57.85 57.28 1ib1 n ARG 170 Cb 0.21 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.18 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 -1.41 0.00 0.00 -1.55 3.01 -0.51 -4.98 117.46 112.02 1ib1 n PHE 171 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 1ib1 n PHE 171 Cb 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 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 0.57 0.59 3.77 1.37 0.00 -0.90 -5.03 105.19 105.55 1ib1 n GLY 172 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 2.63 0.02 1.61 0.40 -1.11 -4.52 117.98 115.01 1ib1 s PHE 173 Ca 0.00 1.53 0.05 0.00 -0.60 0.00 0.00 56.93 57.91 1ib1 s PHE 173 Cb 0.00 -3.39 -0.02 0.00 0.51 0.00 0.00 43.02 40.12 1ib1 s PHE 173 CO 0.00 -1.79 -0.16 -1.01 0.70 0.00 0.00 175.22 172.96 1ib1 s HIS 174 N -1.65 1.39 0.20 0.36 3.76 0.53 -4.09 115.29 115.79 1ib1 s HIS 174 Ca 0.72 -0.32 -0.31 0.00 -0.15 0.00 0.00 55.06 54.99 1ib1 s HIS 174 Cb -0.28 -0.85 -0.11 0.00 1.11 0.00 0.00 32.58 32.46 1ib1 s HIS 174 CO 0.31 0.03 1.62 -2.14 -0.85 0.00 0.00 174.74 173.71 1ib1 s PRO 175 N -0.86 4.18 -0.19 8.40 0.02 -1.26 -1.73 135.00 143.56 1ib1 s PRO 175 Ca 0.04 2.47 0.13 0.00 0.02 0.00 0.00 61.00 63.66 1ib1 s PRO 175 Cb -0.07 -3.11 0.38 0.00 0.02 0.00 0.00 34.50 31.72 1ib1 s PRO 175 CO 0.01 -0.65 1.20 0.00 -0.33 0.00 0.00 177.00 177.23 1ib1 n ALA 176 N 3.72 3.26 -0.26 -1.55 0.00 0.13 -4.91 120.51 120.90 1ib1 n ALA 176 Ca 0.14 -3.10 0.00 0.00 0.00 0.00 0.00 53.44 50.47 1ib1 n ALA 176 Cb 0.37 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.21 -1.60 3.75 0.00 0.00 -1.26 -4.64 105.19 100.23 1ib1 n GLY 177 Ca 0.18 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.40 2.31 -3.33 1.61 -0.02 -1.26 -0.31 135.00 133.59 1ib1 n PRO 178 Ca 0.00 0.82 -0.38 0.00 -2.02 0.00 0.00 63.50 61.92 1ib1 n PRO 178 Cb 0.00 -2.59 -0.06 0.00 -0.02 0.00 0.00 33.50 30.83 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 2.54 2.06 -2.68 0.00 0.00 -1.26 -4.66 120.51 116.51 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 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.06 5.30 -0.15 0.00 1.01 -1.26 -4.24 121.20 119.80 1ib1 s ILE 181 Ca 0.23 0.43 -0.01 0.00 0.00 0.00 0.00 60.65 61.30 1ib1 s ILE 181 Cb 0.11 -3.60 -0.01 0.00 0.01 0.00 0.00 42.46 38.97 1ib1 s ILE 181 CO 0.19 0.33 -0.12 0.68 0.00 0.00 0.00 174.94 176.02 1ib1 s VAL 182 N 0.96 3.07 -0.25 2.92 -7.23 -1.26 -4.51 120.40 114.11 1ib1 s VAL 182 Ca 0.13 -0.64 -0.02 0.00 -1.81 0.00 0.00 61.98 59.64 1ib1 s VAL 182 Cb -0.14 -2.31 0.02 0.00 0.56 0.00 0.00 36.38 34.52 1ib1 s VAL 182 CO 0.05 0.51 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.59 1ib1 s VAL 183 N 0.58 2.88 0.00 1.32 1.01 -1.03 -4.96 120.40 120.20 1ib1 s VAL 183 Ca -0.07 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.91 1ib1 s VAL 183 Cb -0.15 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.78 1ib1 s VAL 183 CO 0.03 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1ib1 n GLY 184 N 4.67 2.76 2.18 4.51 0.00 -1.26 -0.07 105.19 117.98 1ib1 n GLY 184 Ca -0.17 0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 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 10.52 4.41 -4.30 1.61 7.64 -1.26 -5.03 113.62 127.21 1ib1 n SER 185 Ca 0.00 -3.50 -0.30 0.00 1.01 0.00 0.00 58.87 56.09 1ib1 n SER 185 Cb 0.00 -0.37 -0.15 0.00 -1.01 0.00 0.00 64.21 62.67 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 -3.62 2.09 0.05 -3.43 1.43 0.90 -5.14 118.68 110.96 1ib1 s LEU 186 Ca 0.47 -0.48 0.09 0.00 -1.03 0.00 0.00 54.13 53.17 1ib1 s LEU 186 Cb 0.40 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 45.35 1ib1 s LEU 186 CO 0.01 0.28 -0.24 0.42 0.23 0.00 0.00 176.35 177.05 1ib1 s THR 187 N -0.65 1.95 0.25 5.49 -4.23 -1.26 -2.47 115.64 114.72 1ib1 s THR 187 Ca 0.10 -1.33 0.02 0.00 -1.18 0.00 0.00 61.69 59.30 1ib1 s THR 187 Cb -0.09 -1.68 -0.05 0.00 1.34 0.00 0.00 72.50 72.01 1ib1 s THR 187 CO -0.00 0.29 0.07 -0.36 -0.54 0.00 0.00 174.62 174.07 1ib1 s PHE 188 N -0.82 1.54 -0.13 3.99 0.08 -1.26 -4.81 117.98 116.57 1ib1 s PHE 188 Ca 0.10 -1.10 -0.09 0.00 0.12 0.00 0.00 56.93 55.96 1ib1 s PHE 188 Cb -0.10 -0.91 -0.04 0.00 -0.57 0.00 0.00 43.02 41.40 1ib1 s PHE 188 CO 0.02 -0.24 0.18 0.99 -0.10 0.00 0.00 175.22 176.07 1ib1 s THR 189 N -3.65 5.42 0.19 0.64 2.01 0.12 -0.80 115.64 119.58 1ib1 s THR 189 Ca 0.34 0.30 -0.24 0.00 0.31 0.00 0.00 61.69 62.40 1ib1 s THR 189 Cb 0.07 -3.47 -0.08 0.00 0.01 0.00 0.00 72.50 69.03 1ib1 s THR 189 CO 0.12 0.56 0.78 -0.70 -0.69 0.00 0.00 174.62 174.69 1ib1 s GLU 190 N -0.59 4.50 -0.03 4.92 2.12 0.57 -1.58 118.70 128.61 1ib1 s GLU 190 Ca 0.14 1.11 0.04 0.00 0.36 0.00 0.00 54.97 56.63 1ib1 s GLU 190 Cb -0.12 -3.13 -0.00 0.00 0.26 0.00 0.00 34.13 31.13 1ib1 s GLU 190 CO 0.04 0.51 -0.14 -1.64 -0.54 0.00 0.00 175.26 173.48 1ib1 s MET 191 N -1.42 1.44 -0.04 4.30 -1.94 0.81 0.19 119.30 122.65 1ib1 s MET 191 Ca 0.39 -0.51 0.06 0.00 -1.71 0.00 0.00 55.69 53.92 1ib1 s MET 191 Cb -0.21 -1.29 -0.01 0.00 2.01 0.00 0.00 34.83 35.32 1ib1 s MET 191 CO 0.25 0.22 -0.21 -1.01 -0.01 0.00 0.00 175.02 174.26 1ib1 s HIS 192 N 0.00 2.00 -0.16 -0.03 3.76 -0.71 -2.15 115.29 118.01 1ib1 s HIS 192 Ca -0.02 -0.50 -0.01 0.00 -0.15 0.00 0.00 55.06 54.38 1ib1 s HIS 192 Cb -0.10 -1.31 0.05 0.00 1.11 0.00 0.00 32.58 32.33 1ib1 s HIS 192 CO 0.01 -0.12 -0.01 0.00 -0.85 0.00 0.00 174.74 173.77 1ib1 s SER 194 N 1.77 7.14 0.00 0.00 0.15 -1.26 -0.17 113.70 121.33 1ib1 s SER 194 Ca 0.01 2.33 0.00 0.00 0.70 0.00 0.00 55.95 58.99 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 -0.07 -0.27 0.00 0.18 1.20 0.00 0.00 173.24 174.28 1ib1 n LEU 195 N 1.46 0.00 0.00 3.45 4.77 0.75 -4.91 117.00 122.52 1ib1 n LEU 195 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.11 1ib1 n LEU 195 Cb 0.44 0.00 0.74 0.00 -2.33 0.00 0.00 43.42 42.27 1ib1 n LEU 195 CO 0.55 0.00 0.92 -2.11 -1.33 0.00 0.00 177.39 175.42