#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 0.77 3.06 0.46 0.00 -1.26 -2.41 105.19 105.81 1ib1 n GLY 19 Ca 0.00 0.86 -0.35 0.00 0.00 0.00 0.00 46.02 46.53 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 7.74 3.46 0.11 -0.61 -1.09 -1.26 -4.83 121.20 124.71 1ib1 s ILE 20 Ca 1.05 -3.07 -0.36 0.00 -2.23 0.00 0.00 60.65 56.04 1ib1 s ILE 20 Cb -0.61 -3.28 -0.16 0.00 -1.58 0.00 0.00 42.46 36.83 1ib1 s ILE 20 CO 0.42 -0.86 1.32 -2.65 -1.23 0.00 0.00 174.94 171.94 1ib1 n PRO 21 N 3.37 1.22 0.00 2.79 -0.02 -1.26 -0.72 135.00 140.37 1ib1 n PRO 21 Ca 0.07 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1ib1 n PRO 21 Cb 0.36 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 2.48 2.62 2.70 -1.23 0.00 -1.26 -4.94 105.19 105.55 1ib1 n GLY 22 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.63 3.48 0.21 1.61 0.01 0.10 -5.03 113.70 112.46 1ib1 s SER 23 Ca 0.00 -3.07 -0.15 0.00 1.31 0.00 0.00 55.95 54.04 1ib1 s SER 23 Cb 0.00 -1.08 0.23 0.00 0.21 0.00 0.00 66.02 65.38 1ib1 s SER 23 CO 0.00 -0.19 1.61 -0.65 0.41 0.00 0.00 173.24 174.42 1ib1 h PRO 24 N 6.12 -0.04 -0.02 12.44 0.11 -1.93 -2.97 132.00 145.71 1ib1 h PRO 24 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 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 0.53 -0.03 -0.07 0.41 -0.21 0.00 0.00 178.00 178.63 1ib1 n GLY 25 N -1.45 0.25 3.78 -0.55 0.00 -1.26 -4.92 105.19 101.04 1ib1 n GLY 25 Ca 0.07 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.10 4.42 -0.10 1.61 3.00 -1.12 -5.06 118.95 119.58 1ib1 s ARG 26 Ca 0.31 0.98 -0.10 0.00 0.00 0.00 0.00 55.73 56.91 1ib1 s ARG 26 Cb 0.20 -3.27 -0.05 0.00 0.00 0.00 0.00 34.95 31.84 1ib1 s ARG 26 CO 0.37 0.56 0.24 1.14 0.00 0.00 0.00 175.30 177.60 1ib1 s GLN 27 N -0.98 3.78 0.39 3.54 -2.07 -1.26 -4.45 119.66 118.61 1ib1 s GLN 27 Ca 0.33 0.04 -0.25 0.00 -1.82 0.00 0.00 55.36 53.67 1ib1 s GLN 27 Cb -0.21 -3.26 -0.09 0.00 -1.09 0.00 0.00 33.01 28.36 1ib1 s GLN 27 CO 0.23 0.62 1.07 0.50 -1.32 0.00 0.00 175.29 176.38 1ib1 s ARG 28 N -0.65 4.20 0.88 9.60 3.52 -1.01 -5.01 118.95 130.47 1ib1 s ARG 28 Ca 0.17 1.58 -0.11 0.00 -0.13 0.00 0.00 55.73 57.24 1ib1 s ARG 28 Cb -0.13 -2.62 0.12 0.00 -1.56 0.00 0.00 34.95 30.76 1ib1 s ARG 28 CO 0.06 -0.13 1.15 -0.98 -0.81 0.00 0.00 175.30 174.59 1ib1 s ARG 29 N -2.36 1.28 0.55 5.12 1.04 -1.26 -4.99 118.95 118.33 1ib1 s ARG 29 Ca 0.56 1.54 0.09 0.00 -1.04 0.00 0.00 55.73 56.88 1ib1 s ARG 29 Cb -0.24 -1.76 0.07 0.00 -2.04 0.00 0.00 34.95 30.98 1ib1 s ARG 29 CO 0.30 -2.43 0.71 -1.01 -0.04 0.00 0.00 175.30 172.83 1ib1 s HIS 30 N -2.59 1.61 -0.08 5.89 3.76 -1.26 -5.14 115.29 117.48 1ib1 s HIS 30 Ca 0.67 -0.70 -0.30 0.00 -0.15 0.00 0.00 55.06 54.59 1ib1 s HIS 30 Cb -0.23 -2.19 -0.02 0.00 1.11 0.00 0.00 32.58 31.25 1ib1 s HIS 30 CO 0.56 -0.97 1.04 -1.17 -0.85 0.00 0.00 174.74 173.35 1ib1 s LEU 32 N -4.58 4.27 0.00 0.89 1.98 -1.26 -5.31 118.68 114.67 1ib1 s LEU 32 Ca 0.58 1.62 -0.06 0.00 -2.89 0.00 0.00 54.13 53.38 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 0.36 -0.45 0.40 -0.81 -1.89 0.00 0.00 176.35 173.96 1ib1 n PRO 33 N 4.85 -0.78 -3.30 0.98 -0.04 -1.26 -5.09 135.00 130.37 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 -0.46 -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 -3.70 0.22 0.09 0.55 0.00 -1.26 -4.55 121.76 113.10 1ib1 s ALA 34 Ca 0.23 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1ib1 s ALA 34 Cb -0.01 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.20 1ib1 s ALA 34 CO 0.17 -2.09 0.00 0.09 0.00 0.00 0.00 175.76 173.93 1ib1 n ASN 35 N 3.47 -7.42 -3.78 0.00 4.13 -1.24 -4.85 115.26 105.56 1ib1 n ASN 35 Ca 0.20 1.20 -0.09 0.00 1.68 0.00 0.00 54.58 57.57 1ib1 n ASN 35 Cb 0.47 -4.09 -0.03 0.00 -1.54 0.00 0.00 39.78 34.58 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 -1.11 1.54 -0.14 3.52 -1.05 -0.72 -4.94 118.70 115.80 1ib1 s GLU 36 Ca 0.00 -0.92 0.01 0.00 -0.15 0.00 0.00 54.97 53.91 1ib1 s GLU 36 Cb 0.00 0.55 -0.00 0.00 -0.44 0.00 0.00 34.13 34.24 1ib1 s GLU 36 CO 0.00 -0.67 -0.16 -0.06 0.95 0.00 0.00 175.26 175.31 1ib1 s PHE 37 N -3.90 2.75 0.05 4.83 0.40 -1.26 -1.05 117.98 119.80 1ib1 s PHE 37 Ca 0.11 -0.95 -0.01 0.00 -0.60 0.00 0.00 56.93 55.48 1ib1 s PHE 37 Cb -0.03 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.62 1ib1 s PHE 37 CO 0.01 -0.40 -0.03 1.03 0.70 0.00 0.00 175.22 176.53 1ib1 s ARG 38 N 0.61 0.61 0.33 0.44 0.52 -0.91 -4.97 118.95 115.57 1ib1 s ARG 38 Ca -0.09 -1.21 -0.27 0.00 -0.52 0.00 0.00 55.73 53.64 1ib1 s ARG 38 Cb -0.16 0.21 -0.09 0.00 0.52 0.00 0.00 34.95 35.43 1ib1 s ARG 38 CO 0.03 -0.11 1.01 0.00 0.02 0.00 0.00 175.30 176.25 1ib1 s LEU 40 N -1.99 3.81 0.30 0.00 1.43 -1.26 -4.87 118.68 116.11 1ib1 s LEU 40 Ca 0.50 1.52 0.08 0.00 -1.03 0.00 0.00 54.13 55.20 1ib1 s LEU 40 Cb -0.23 -4.41 -0.04 0.00 0.03 0.00 0.00 46.19 41.55 1ib1 s LEU 40 CO 0.29 -0.44 0.17 0.42 0.23 0.00 0.00 176.35 177.02 1ib1 s THR 41 N -2.36 3.57 0.57 5.49 -4.23 -1.26 -4.77 115.64 112.64 1ib1 s THR 41 Ca 0.58 -1.58 0.27 0.00 -1.18 0.00 0.00 61.69 59.78 1ib1 s THR 41 Cb -0.10 -3.11 0.37 0.00 1.34 0.00 0.00 72.50 71.00 1ib1 s THR 41 CO 0.23 -0.25 2.03 -0.65 -0.54 0.00 0.00 174.62 175.44 1ib1 h PRO 42 N 1.51 0.00 0.00 3.99 0.11 -1.90 -0.04 132.00 135.68 1ib1 h PRO 42 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1ib1 h PRO 42 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1ib1 h PRO 42 CO 0.61 0.00 -0.16 0.93 -0.21 0.00 0.00 178.00 179.17 1ib1 h GLU 43 N 0.00 0.00 -0.00 1.05 3.07 -1.96 -2.66 114.58 114.08 1ib1 h GLU 43 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 1ib1 h GLU 43 Cb 0.74 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1ib1 h GLU 43 CO -0.00 0.16 -0.00 -0.25 -1.40 0.00 0.00 179.01 177.52 1ib1 n ASP 44 N -3.36 0.02 -0.27 1.42 8.00 -0.03 -4.09 116.55 118.25 1ib1 n ASP 44 Ca -0.00 -0.98 -0.06 0.00 0.71 0.00 0.00 54.79 54.46 1ib1 n ASP 44 Cb 0.37 -0.01 0.06 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 3.99 0.94 -0.92 2.24 0.00 -1.58 -2.26 119.26 121.66 1ib1 h ALA 45 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1ib1 h ALA 45 Cb 0.02 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 1ib1 h ALA 45 CO 0.00 0.47 0.61 0.00 0.00 0.00 0.00 179.25 180.33 1ib1 h ALA 46 N 1.19 1.17 -0.04 0.00 0.00 -1.83 -0.16 119.26 119.60 1ib1 h ALA 46 Ca 0.25 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1ib1 h ALA 46 Cb 0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1ib1 h ALA 46 CO -0.04 0.57 -0.37 0.78 0.00 0.00 0.00 179.25 180.19 1ib1 h GLY 47 N 1.25 0.08 0.53 0.00 0.00 -1.78 -1.32 103.07 101.84 1ib1 h GLY 47 Ca 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 1ib1 h GLY 47 CO -0.07 0.06 -0.08 -2.08 0.00 0.00 0.00 176.54 174.37 1ib1 h VAL 48 N 0.06 0.98 -0.78 4.60 2.07 -0.71 -2.61 116.25 119.85 1ib1 h VAL 48 Ca 0.01 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 66.66 1ib1 h VAL 48 Cb 0.69 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 1ib1 h VAL 48 CO 0.05 0.20 0.51 0.15 0.02 0.00 0.00 177.57 178.51 1ib1 h PHE 49 N -0.69 0.86 -0.29 1.57 3.57 -0.92 -1.44 116.94 119.60 1ib1 h PHE 49 Ca -0.02 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1ib1 h PHE 49 Cb 0.50 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1ib1 h PHE 49 CO 0.06 0.45 0.17 0.93 -2.23 0.00 0.00 178.31 177.70 1ib1 h GLU 50 N 0.85 0.35 -0.61 1.11 4.39 -1.18 0.14 114.58 119.63 1ib1 h GLU 50 Ca 0.34 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.97 1ib1 h GLU 50 Cb 0.23 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 1ib1 h GLU 50 CO -0.12 0.23 0.19 0.82 -1.16 0.00 0.00 179.01 178.97 1ib1 h ILE 51 N 0.36 1.23 0.00 3.13 2.04 -1.01 -2.04 117.51 121.22 1ib1 h ILE 51 Ca 0.11 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 1ib1 h ILE 51 Cb -0.01 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1ib1 h ILE 51 CO -0.05 0.30 -0.11 -0.33 0.00 0.00 0.00 178.15 177.97 1ib1 h GLU 52 N 0.89 0.00 -0.12 2.37 5.08 -0.13 0.39 114.58 123.05 1ib1 h GLU 52 Ca 0.20 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1ib1 h GLU 52 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1ib1 h GLU 52 CO -0.01 0.11 -0.05 0.00 -1.00 0.00 0.00 179.01 178.06 1ib1 h ARG 53 N 0.00 0.25 0.36 2.33 3.08 -0.28 0.00 114.38 120.13 1ib1 h ARG 53 Ca -0.00 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1ib1 h ARG 53 Cb 0.21 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1ib1 h ARG 53 CO 0.01 0.57 -0.17 1.49 -1.07 0.00 0.00 179.97 180.80 1ib1 h GLU 54 N -0.08 -0.47 -0.08 0.04 4.22 -1.37 -1.99 114.58 114.85 1ib1 h GLU 54 Ca 0.03 0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.50 1ib1 h GLU 54 Cb 0.49 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1ib1 h GLU 54 CO 0.02 -0.20 0.03 0.00 -2.18 0.00 0.00 179.01 176.68 1ib1 h ALA 55 N -0.82 1.90 0.00 2.92 0.00 -0.33 -3.36 119.26 119.57 1ib1 h ALA 55 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ib1 h ALA 55 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ib1 h ALA 55 CO 0.08 0.08 -0.07 1.19 0.00 0.00 0.00 179.25 180.54 1ib1 n PHE 56 N -4.50 -0.91 -0.11 0.00 3.72 -0.08 -4.81 117.46 110.77 1ib1 n PHE 56 Ca -0.02 0.16 0.26 0.00 -0.05 0.00 0.00 57.45 57.80 1ib1 n PHE 56 Cb 0.11 0.23 0.72 0.00 -0.94 0.00 0.00 39.48 39.59 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 0.54 0.00 4.37 2.04 -0.96 -0.30 117.51 123.21 1ib1 h ILE 57 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1ib1 h ILE 57 Cb 0.07 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1ib1 h ILE 57 CO 0.00 0.00 -0.07 0.77 0.00 0.00 0.00 178.15 178.85 1ib1 h SER 58 N 0.00 0.00 0.00 1.72 4.64 -1.51 -0.46 113.55 117.95 1ib1 h SER 58 Ca 0.36 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.38 1ib1 h SER 58 Cb 1.52 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.56 1ib1 h SER 58 CO -0.00 0.07 -1.84 0.52 -0.87 0.00 0.00 176.83 174.70 1ib1 n VAL 59 N -3.13 1.52 0.71 0.95 0.31 -0.18 -4.71 118.33 113.80 1ib1 n VAL 59 Ca 0.03 -0.17 0.09 0.00 -0.01 0.00 0.00 64.34 64.28 1ib1 n VAL 59 Cb 0.49 -2.04 -0.11 0.00 -0.91 0.00 0.00 33.84 31.27 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 -4.36 0.83 0.00 4.52 3.41 -0.83 -4.96 113.62 112.23 1ib1 n SER 60 Ca -0.39 -0.77 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 1ib1 n SER 60 Cb 0.73 1.16 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 0.49 3.17 5.00 0.00 -0.18 -4.99 105.19 110.11 1ib1 n GLY 61 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1ib1 n GLY 61 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ib1 s ASN 62 N -2.05 0.87 0.03 1.61 3.84 -1.26 -4.90 114.94 113.08 1ib1 s ASN 62 Ca 0.00 -1.09 -0.13 0.00 0.21 0.00 0.00 52.86 51.86 1ib1 s ASN 62 Cb 0.00 0.16 0.02 0.00 -0.55 0.00 0.00 41.25 40.87 1ib1 s ASN 62 CO 0.00 -0.57 0.27 0.00 -2.79 0.00 0.00 177.10 174.01 1ib1 h PRO 64 N 3.40 -0.25 -4.04 0.00 0.11 -1.95 -3.43 132.00 125.85 1ib1 h PRO 64 Ca -0.31 0.02 -0.31 0.00 0.11 0.00 0.00 66.00 65.50 1ib1 h PRO 64 Cb 1.19 0.06 -0.30 0.00 0.11 0.00 0.00 31.00 32.06 1ib1 h PRO 64 CO 0.46 -0.17 -0.75 -0.51 -0.21 0.00 0.00 178.00 176.82 1ib1 s LEU 65 N -10.47 1.79 0.52 2.35 1.43 -1.26 -5.04 118.68 108.00 1ib1 s LEU 65 Ca -0.15 -0.06 -0.04 0.00 -1.03 0.00 0.00 54.13 52.85 1ib1 s LEU 65 Cb 0.11 -0.21 -0.01 0.00 0.03 0.00 0.00 46.19 46.12 1ib1 s LEU 65 CO 0.68 0.01 0.81 0.54 0.23 0.00 0.00 176.35 178.61 1ib1 s ASN 66 N 0.21 5.83 0.27 2.29 2.20 -1.26 -4.76 114.94 119.72 1ib1 s ASN 66 Ca -0.02 0.65 -0.07 0.00 -0.94 0.00 0.00 52.86 52.48 1ib1 s ASN 66 Cb -0.05 -1.79 0.49 0.00 -2.00 0.00 0.00 41.25 37.89 1ib1 s ASN 66 CO -0.00 -0.84 1.58 0.25 -2.94 0.00 0.00 177.10 175.15 1ib1 h LEU 67 N 0.09 -0.73 -0.16 3.54 5.85 -1.96 0.12 115.31 122.05 1ib1 h LEU 67 Ca -0.46 0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.56 1ib1 h LEU 67 Cb 1.24 0.53 -0.03 0.00 0.37 0.00 0.00 40.66 42.78 1ib1 h LEU 67 CO 0.60 -0.30 -0.02 -0.78 -0.34 0.00 0.00 178.44 177.60 1ib1 h ASP 68 N 0.01 -0.10 -0.59 1.25 3.58 -1.98 0.98 116.42 119.59 1ib1 h ASP 68 Ca 0.47 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.93 1ib1 h ASP 68 Cb 0.79 0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.89 1ib1 h ASP 68 CO -0.92 -0.03 0.25 -0.33 -2.88 0.00 0.00 179.24 175.34 1ib1 h GLU 69 N 0.03 0.90 -0.16 0.28 5.08 -1.21 0.28 114.58 119.79 1ib1 h GLU 69 Ca 0.08 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1ib1 h GLU 69 Cb 0.10 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1ib1 h GLU 69 CO -0.14 0.74 -0.02 0.28 -1.00 0.00 0.00 179.01 178.87 1ib1 h VAL 70 N 0.89 1.27 -0.84 3.13 2.07 -0.59 -2.70 116.25 119.47 1ib1 h VAL 70 Ca 0.21 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1ib1 h VAL 70 Cb 0.17 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1ib1 h VAL 70 CO -0.02 0.27 0.54 1.56 0.02 0.00 0.00 177.57 179.94 1ib1 h GLN 71 N 0.01 1.12 0.48 1.57 4.20 -0.46 -2.26 115.11 119.77 1ib1 h GLN 71 Ca 0.04 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1ib1 h GLN 71 Cb 0.42 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1ib1 h GLN 71 CO 0.01 0.75 -0.36 1.25 -0.67 0.00 0.00 178.83 179.82 1ib1 h HIS 72 N 1.15 -0.95 -0.44 2.96 2.76 -0.78 -1.86 115.15 117.98 1ib1 h HIS 72 Ca 0.31 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.47 1ib1 h HIS 72 Cb -0.11 0.35 -0.02 0.00 1.55 0.00 0.00 27.41 29.18 1ib1 h HIS 72 CO 0.00 -0.53 0.25 0.74 -1.30 0.00 0.00 177.93 177.10 1ib1 h PHE 73 N -0.82 0.58 0.00 5.26 0.04 -1.31 -0.23 116.94 120.45 1ib1 h PHE 73 Ca -0.05 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 1ib1 h PHE 73 Cb 0.70 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.65 1ib1 h PHE 73 CO -0.15 0.40 -0.14 -0.07 -0.60 0.00 0.00 178.31 177.76 1ib1 h LEU 74 N 0.61 0.00 0.10 1.54 3.38 -1.10 0.22 115.31 120.06 1ib1 h LEU 74 Ca 0.16 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.81 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 -0.03 0.14 -1.71 0.74 0.09 0.00 0.00 178.44 177.66 1ib1 h THR 75 N 0.00 0.78 -0.07 0.22 2.02 -0.74 -3.25 112.91 111.87 1ib1 h THR 75 Ca -0.00 -2.32 -0.05 0.00 0.77 0.00 0.00 66.41 64.80 1ib1 h THR 75 Cb 0.70 2.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 1ib1 h THR 75 CO 0.02 0.73 -0.17 0.25 0.37 0.00 0.00 175.52 176.72 1ib1 h LEU 76 N -0.24 0.26 -5.76 2.58 6.46 -0.98 -3.41 115.31 114.23 1ib1 h LEU 76 Ca -0.38 -0.59 -0.46 0.00 -0.12 0.00 0.00 57.88 56.33 1ib1 h LEU 76 Cb 1.83 -0.08 -0.33 0.00 -0.73 0.00 0.00 40.66 41.35 1ib1 h LEU 76 CO 0.02 0.80 -0.98 0.00 -0.62 0.00 0.00 178.44 177.67 1ib1 h PRO 78 N 3.67 0.00 0.00 0.00 0.13 -1.58 -1.30 132.00 132.91 1ib1 h PRO 78 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1ib1 h PRO 78 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1ib1 h PRO 78 CO 0.42 0.03 0.00 -0.85 -0.23 0.00 0.00 178.00 177.37 1ib1 n GLU 79 N -3.41 0.08 -0.90 0.86 0.00 -1.26 -1.70 120.64 114.31 1ib1 n GLU 79 Ca -0.02 0.28 0.07 0.00 0.00 0.00 0.00 57.16 57.48 1ib1 n GLU 79 Cb 0.13 -1.64 0.40 0.00 0.00 0.00 0.00 31.44 30.33 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 -1.80 5.74 -4.31 -1.84 4.77 -0.49 -4.88 117.00 114.18 1ib1 n LEU 80 Ca 0.04 -2.95 -0.17 0.00 -0.03 0.00 0.00 56.01 52.90 1ib1 n LEU 80 Cb 0.23 -0.69 -0.10 0.00 -2.33 0.00 0.00 43.42 40.53 1ib1 n LEU 80 CO 0.18 0.63 -0.42 -0.94 -1.33 0.00 0.00 177.39 175.52 1ib1 s SER 81 N -0.82 2.25 -0.28 -1.43 1.04 -0.69 -1.53 113.70 112.24 1ib1 s SER 81 Ca 0.55 -1.04 -0.21 0.00 0.48 0.00 0.00 55.95 55.73 1ib1 s SER 81 Cb 0.42 -0.08 0.10 0.00 0.10 0.00 0.00 66.02 66.55 1ib1 s SER 81 CO 0.16 -0.26 0.81 -0.22 0.98 0.00 0.00 173.24 174.71 1ib1 s LEU 82 N -3.27 -0.72 0.05 2.42 2.96 -0.81 -4.29 118.68 115.02 1ib1 s LEU 82 Ca 0.21 1.26 0.04 0.00 -0.22 0.00 0.00 54.13 55.42 1ib1 s LEU 82 Cb 0.01 2.22 -0.02 0.00 0.50 0.00 0.00 46.19 48.89 1ib1 s LEU 82 CO 0.05 -0.21 -0.12 -0.83 -1.32 0.00 0.00 176.35 173.92 1ib1 s GLY 83 N 0.92 0.70 -0.30 7.98 0.00 -0.15 -1.57 107.32 114.89 1ib1 s GLY 83 Ca -0.04 -0.82 -0.18 0.00 0.00 0.00 0.00 44.72 43.68 1ib1 s GLY 83 CO -0.10 -0.83 0.53 0.86 0.00 0.00 0.00 173.10 173.56 1ib1 s TRP 84 N -1.07 3.22 -0.36 1.90 -0.11 0.08 -2.14 118.94 120.46 1ib1 s TRP 84 Ca -0.03 0.44 -0.10 0.00 1.22 0.00 0.00 56.10 57.64 1ib1 s TRP 84 Cb -0.09 -2.85 0.03 0.00 -1.50 0.00 0.00 33.47 29.06 1ib1 s TRP 84 CO 0.01 -0.42 0.17 -0.06 -4.62 0.00 0.00 176.95 172.04 1ib1 s PHE 85 N 2.40 3.24 -0.60 5.86 0.40 -0.21 -1.89 117.98 127.18 1ib1 s PHE 85 Ca 0.21 -1.09 -0.24 0.00 -0.60 0.00 0.00 56.93 55.20 1ib1 s PHE 85 Cb -0.15 -2.39 0.05 0.00 0.51 0.00 0.00 43.02 41.04 1ib1 s PHE 85 CO 0.11 -0.67 1.01 0.08 0.70 0.00 0.00 175.22 176.46 1ib1 s VAL 86 N 1.51 4.25 -1.52 -0.44 1.01 0.14 -1.75 120.40 123.60 1ib1 s VAL 86 Ca 0.01 0.20 -0.06 0.00 0.00 0.00 0.00 61.98 62.12 1ib1 s VAL 86 Cb -0.19 -4.64 0.05 0.00 0.00 0.00 0.00 36.38 31.60 1ib1 s VAL 86 CO 0.05 -1.31 0.50 -0.62 0.00 0.00 0.00 175.10 173.72 1ib1 n GLU 87 N 7.85 -3.02 -0.03 2.72 1.02 -1.26 -0.84 120.64 127.08 1ib1 n GLU 87 Ca 0.01 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1ib1 n GLU 87 Cb 0.47 -4.63 0.00 0.00 -0.02 0.00 0.00 31.44 27.26 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 -1.85 0.88 3.69 0.62 0.00 -1.26 -4.77 105.19 102.50 1ib1 n GLY 88 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.70 4.04 -0.31 1.61 3.52 -0.02 -5.06 118.95 122.03 1ib1 s ARG 89 Ca 0.00 -0.28 -0.28 0.00 -0.13 0.00 0.00 55.73 55.04 1ib1 s ARG 89 Cb 0.00 -3.30 0.01 0.00 -1.56 0.00 0.00 34.95 30.11 1ib1 s ARG 89 CO 0.00 0.31 1.03 -1.17 -0.81 0.00 0.00 175.30 174.67 1ib1 s LEU 90 N 0.29 3.97 0.00 -0.88 2.96 -1.26 0.28 118.68 124.03 1ib1 s LEU 90 Ca 0.06 1.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.98 1ib1 s LEU 90 Cb -0.12 -3.48 0.00 0.00 0.50 0.00 0.00 46.19 43.10 1ib1 s LEU 90 CO -0.01 -0.83 0.21 1.33 -1.32 0.00 0.00 176.35 175.73 1ib1 n VAL 91 N 5.79 0.00 -3.63 1.68 0.24 -0.79 -4.96 118.33 116.65 1ib1 n VAL 91 Ca 0.11 -0.49 -0.14 0.00 -2.04 0.00 0.00 64.34 61.78 1ib1 n VAL 91 Cb 0.47 1.01 -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 -0.56 -1.72 0.23 2.33 0.00 -1.22 -0.23 121.76 120.59 1ib1 s ALA 92 Ca 0.00 1.94 -0.03 0.00 0.00 0.00 0.00 51.96 53.87 1ib1 s ALA 92 Cb 0.00 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 1ib1 s ALA 92 CO 0.00 -0.33 0.26 -0.59 0.00 0.00 0.00 175.76 175.10 1ib1 s PHE 93 N 0.31 1.00 -0.19 0.00 -0.12 -0.64 -0.74 117.98 117.60 1ib1 s PHE 93 Ca -0.00 -1.23 -0.05 0.00 -0.05 0.00 0.00 56.93 55.60 1ib1 s PHE 93 Cb -0.05 -0.34 0.09 0.00 -0.63 0.00 0.00 43.02 42.10 1ib1 s PHE 93 CO 0.01 -0.79 0.36 0.42 -0.05 0.00 0.00 175.22 175.17 1ib1 s ILE 94 N -3.97 -0.56 -0.19 -4.49 1.01 -0.61 -2.54 121.20 109.85 1ib1 s ILE 94 Ca 0.34 0.14 -0.07 0.00 0.00 0.00 0.00 60.65 61.07 1ib1 s ILE 94 Cb 0.04 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 1ib1 s ILE 94 CO 0.13 0.04 0.05 -0.63 0.00 0.00 0.00 174.94 174.53 1ib1 s ILE 95 N 2.54 4.60 0.36 2.92 -1.09 -0.69 -1.92 121.20 127.92 1ib1 s ILE 95 Ca 0.02 -0.10 0.07 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 37.65 1ib1 s ILE 95 CO -0.12 0.44 0.24 0.61 -1.23 0.00 0.00 174.94 174.88 1ib1 n GLY 96 N 3.80 3.01 3.81 6.18 0.00 -0.58 -0.77 105.19 120.64 1ib1 n GLY 96 Ca -0.17 -1.97 -0.04 0.00 0.00 0.00 0.00 46.02 43.84 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 -3.42 -0.11 -0.05 1.61 1.04 -0.87 -4.68 113.70 107.23 1ib1 s SER 97 Ca 0.34 -0.61 -0.07 0.00 0.48 0.00 0.00 55.95 56.09 1ib1 s SER 97 Cb 0.02 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 1ib1 s SER 97 CO 0.24 -1.09 0.21 -0.76 0.98 0.00 0.00 173.24 172.82 1ib1 s LEU 98 N -3.09 4.39 0.16 2.42 1.43 -1.26 -0.39 118.68 122.33 1ib1 s LEU 98 Ca 0.15 0.51 0.10 0.00 -1.03 0.00 0.00 54.13 53.87 1ib1 s LEU 98 Cb -0.03 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 1ib1 s LEU 98 CO 0.05 0.32 -0.23 0.86 0.23 0.00 0.00 176.35 177.58 1ib1 s TRP 99 N -1.18 2.12 -0.18 0.29 -0.00 -0.47 0.06 118.94 119.58 1ib1 s TRP 99 Ca 0.22 -0.39 0.14 0.00 -0.00 0.00 0.00 56.10 56.07 1ib1 s TRP 99 Cb -0.13 -1.10 0.43 0.00 -0.00 0.00 0.00 33.47 32.68 1ib1 s TRP 99 CO 0.12 0.38 1.20 -0.40 -0.00 0.00 0.00 176.95 178.24 1ib1 n ASP 100 N 0.58 2.04 -4.15 5.86 5.68 -1.26 -1.93 116.55 123.38 1ib1 n ASP 100 Ca -0.15 -3.44 -0.10 0.00 -0.50 0.00 0.00 54.79 50.60 1ib1 n ASP 100 Cb 0.55 -0.46 -0.10 0.00 -1.14 0.00 0.00 41.12 39.97 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 -2.70 0.82 0.06 0.11 2.02 -1.26 -4.95 118.70 112.79 1ib1 s GLU 101 Ca 0.39 -1.35 -0.25 0.00 0.02 0.00 0.00 54.97 53.78 1ib1 s GLU 101 Cb 0.38 0.04 -0.17 0.00 0.10 0.00 0.00 34.13 34.48 1ib1 s GLU 101 CO -0.07 -0.12 1.58 1.49 0.02 0.00 0.00 175.26 178.15 1ib1 h GLU 102 N 2.97 -0.16 -6.11 1.61 4.22 -2.05 -3.44 114.58 111.61 1ib1 h GLU 102 Ca -0.35 0.01 -0.55 0.00 0.08 0.00 0.00 59.36 58.55 1ib1 h GLU 102 Cb 1.17 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1ib1 h GLU 102 CO 0.64 0.01 -0.50 1.03 -2.18 0.00 0.00 179.01 178.00 1ib1 s ARG 103 N -5.63 3.23 0.31 1.92 1.81 -1.26 -5.10 118.95 114.23 1ib1 s ARG 103 Ca -0.14 -0.72 -0.20 0.00 -1.72 0.00 0.00 55.73 52.95 1ib1 s ARG 103 Cb 0.04 -2.84 -0.09 0.00 -0.45 0.00 0.00 34.95 31.61 1ib1 s ARG 103 CO 0.64 0.50 0.82 -0.51 -0.68 0.00 0.00 175.30 176.07 1ib1 s LEU 104 N -3.25 4.20 0.40 2.53 1.43 -1.26 -5.02 118.68 117.71 1ib1 s LEU 104 Ca 0.33 1.54 0.05 0.00 -1.03 0.00 0.00 54.13 55.01 1ib1 s LEU 104 Cb -0.10 -3.98 -0.06 0.00 0.03 0.00 0.00 46.19 42.08 1ib1 s LEU 104 CO 0.27 -0.12 0.03 0.42 0.23 0.00 0.00 176.35 177.18 1ib1 s THR 105 N -1.77 1.47 0.09 5.49 -4.23 -1.26 -4.23 115.64 111.20 1ib1 s THR 105 Ca 0.51 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.74 1ib1 s THR 105 Cb -0.14 -2.72 -0.13 0.00 1.34 0.00 0.00 72.50 70.84 1ib1 s THR 105 CO 0.19 0.00 1.67 -0.61 -0.54 0.00 0.00 174.62 175.33 1ib1 h GLN 106 N 1.79 -0.44 -0.09 3.99 5.75 -1.98 -2.64 115.11 121.50 1ib1 h GLN 106 Ca -0.42 0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.13 1ib1 h GLN 106 Cb 1.26 0.10 -0.00 0.00 1.07 0.00 0.00 27.48 29.91 1ib1 h GLN 106 CO 0.74 -0.30 0.18 1.05 -2.65 0.00 0.00 178.83 177.85 1ib1 h GLU 107 N -0.46 0.00 0.00 1.69 4.11 -1.97 -2.11 114.58 115.84 1ib1 h GLU 107 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1ib1 h GLU 107 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1ib1 h GLU 107 CO -0.01 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 177.94 1ib1 n SER 108 N -3.38 0.05 -0.05 3.06 3.41 -0.99 -2.70 113.62 113.02 1ib1 n SER 108 Ca -0.01 0.52 -0.01 0.00 -0.26 0.00 0.00 58.87 59.11 1ib1 n SER 108 Cb 0.27 -0.53 0.25 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 0.60 -3.13 1.04 3.38 -1.54 -2.99 115.31 112.67 1ib1 h LEU 109 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1ib1 h LEU 109 Cb 0.17 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1ib1 h LEU 109 CO 0.00 0.64 0.00 0.00 0.09 0.00 0.00 178.44 179.17 1ib1 n ALA 110 N -2.47 2.71 -2.46 1.53 0.00 -1.10 -5.01 120.51 113.70 1ib1 n ALA 110 Ca 0.02 -1.96 -0.31 0.00 0.00 0.00 0.00 53.44 51.19 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 -2.26 2.64 -0.13 0.00 1.43 -1.13 -5.09 118.68 114.13 1ib1 s LEU 111 Ca 0.35 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1ib1 s LEU 111 Cb 0.27 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.97 1ib1 s LEU 111 CO 0.10 0.29 -0.12 -2.28 0.23 0.00 0.00 176.35 174.58 1ib1 s HIS 112 N -0.84 1.89 -0.47 0.29 5.65 -1.26 -4.62 115.29 115.93 1ib1 s HIS 112 Ca 0.13 -1.02 -0.09 0.00 0.25 0.00 0.00 55.06 54.33 1ib1 s HIS 112 Cb -0.11 -1.45 0.12 0.00 -1.18 0.00 0.00 32.58 29.97 1ib1 s HIS 112 CO 0.03 -0.60 0.34 1.03 -0.65 0.00 0.00 174.74 174.89 1ib1 s ARG 113 N 1.55 2.50 0.25 2.88 1.81 0.11 -4.90 118.95 123.15 1ib1 s ARG 113 Ca 0.04 -1.74 -0.10 0.00 -1.72 0.00 0.00 55.73 52.22 1ib1 s ARG 113 Cb -0.13 -3.92 0.37 0.00 -0.45 0.00 0.00 34.95 30.82 1ib1 s ARG 113 CO -0.09 -1.18 1.60 -1.35 -0.68 0.00 0.00 175.30 173.60 1ib1 h PRO 114 N 8.46 0.01 -0.87 3.54 0.11 -1.98 0.40 132.00 141.66 1ib1 h PRO 114 Ca -0.21 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.88 1ib1 h PRO 114 Cb 1.07 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1ib1 h PRO 114 CO 0.86 0.01 0.02 0.54 -0.21 0.00 0.00 178.00 179.21 1ib1 n ARG 115 N -5.51 2.25 -1.21 1.05 1.74 -1.26 -4.95 116.66 108.77 1ib1 n ARG 115 Ca 0.12 -1.06 -0.29 0.00 -0.77 0.00 0.00 57.85 55.85 1ib1 n ARG 115 Cb 0.43 -1.73 0.20 0.00 -1.02 0.00 0.00 32.46 30.34 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 -0.22 1.58 0.00 -0.13 0.00 0.14 -4.96 107.32 103.73 1ib1 s GLY 116 Ca 0.19 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.24 1ib1 s GLY 116 CO 0.05 0.06 0.20 -2.39 0.00 0.00 0.00 173.10 171.02 1ib1 n HIS 117 N -4.36 0.00 -5.02 1.90 1.44 -0.81 -4.63 115.22 103.74 1ib1 n HIS 117 Ca 0.09 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.51 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 -0.22 2.59 -0.51 4.39 0.01 -1.05 -0.10 113.70 118.81 1ib1 s SER 118 Ca 0.00 -0.44 -0.25 0.00 1.31 0.00 0.00 55.95 56.57 1ib1 s SER 118 Cb 0.00 -0.86 0.03 0.00 0.21 0.00 0.00 66.02 65.40 1ib1 s SER 118 CO 0.00 0.17 0.98 0.00 0.41 0.00 0.00 173.24 174.80 1ib1 s ALA 119 N 0.10 3.17 -0.47 1.44 0.00 -0.11 -1.37 121.76 124.53 1ib1 s ALA 119 Ca -0.08 -0.94 -0.24 0.00 0.00 0.00 0.00 51.96 50.70 1ib1 s ALA 119 Cb -0.14 -3.74 0.03 0.00 0.00 0.00 0.00 23.12 19.27 1ib1 s ALA 119 CO 0.04 -2.27 0.85 -1.58 0.00 0.00 0.00 175.76 172.80 1ib1 s HIS 120 N 4.01 2.94 -0.68 0.00 5.04 0.47 -0.73 115.29 126.35 1ib1 s HIS 120 Ca 0.36 0.18 -0.26 0.00 -1.54 0.00 0.00 55.06 53.80 1ib1 s HIS 120 Cb -0.10 -3.82 0.04 0.00 0.04 0.00 0.00 32.58 28.74 1ib1 s HIS 120 CO 0.24 -1.08 1.14 -0.51 -2.34 0.00 0.00 174.74 172.19 1ib1 s LEU 121 N 3.52 3.65 0.14 8.88 1.02 0.32 -2.05 118.68 134.16 1ib1 s LEU 121 Ca 0.32 -0.52 -0.10 0.00 0.02 0.00 0.00 54.13 53.84 1ib1 s LEU 121 Cb -0.12 -2.62 -0.05 0.00 0.02 0.00 0.00 46.19 43.42 1ib1 s LEU 121 CO 0.23 -1.62 1.43 0.45 0.02 0.00 0.00 176.35 176.87 1ib1 h HIS 122 N 9.76 1.06 -2.76 0.29 3.86 -1.25 -3.42 115.15 122.69 1ib1 h HIS 122 Ca -0.28 -0.36 -0.11 0.00 -1.16 0.00 0.00 60.37 58.46 1ib1 h HIS 122 Cb 1.06 -0.20 -0.22 0.00 1.06 0.00 0.00 27.41 29.11 1ib1 h HIS 122 CO 1.05 1.18 -0.19 0.00 0.86 0.00 0.00 177.93 180.83 1ib1 s ALA 123 N -4.17 -1.03 -0.06 2.45 0.00 -1.16 -4.84 121.76 112.95 1ib1 s ALA 123 Ca -0.10 0.87 -0.02 0.00 0.00 0.00 0.00 51.96 52.70 1ib1 s ALA 123 Cb 0.10 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.95 1ib1 s ALA 123 CO 0.88 -0.24 0.11 -1.17 0.00 0.00 0.00 175.76 175.34 1ib1 s LEU 124 N -0.55 0.22 -0.04 0.00 2.96 -1.26 -1.70 118.68 118.32 1ib1 s LEU 124 Ca -0.07 0.22 -0.20 0.00 -0.22 0.00 0.00 54.13 53.86 1ib1 s LEU 124 Cb -0.04 0.12 0.04 0.00 0.50 0.00 0.00 46.19 46.81 1ib1 s LEU 124 CO 0.03 -0.22 0.43 0.00 -1.32 0.00 0.00 176.35 175.27 1ib1 s ALA 125 N 1.97 -1.10 -0.03 5.97 0.00 -1.05 -5.03 121.76 122.49 1ib1 s ALA 125 Ca 0.01 0.69 0.07 0.00 0.00 0.00 0.00 51.96 52.73 1ib1 s ALA 125 Cb -0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 1ib1 s ALA 125 CO -0.05 -0.29 -0.25 0.08 0.00 0.00 0.00 175.76 175.25 1ib1 s VAL 126 N -1.17 2.02 0.29 0.00 1.01 -1.26 -1.62 120.40 119.66 1ib1 s VAL 126 Ca -0.12 -1.08 -0.30 0.00 0.00 0.00 0.00 61.98 60.48 1ib1 s VAL 126 Cb -0.04 -1.68 -0.12 0.00 0.00 0.00 0.00 36.38 34.54 1ib1 s VAL 126 CO 0.06 0.57 1.53 1.57 0.00 0.00 0.00 175.10 178.82 1ib1 n HIS 127 N 2.59 2.67 -0.33 5.22 -0.00 0.68 -4.83 115.22 121.23 1ib1 n HIS 127 Ca -0.16 0.32 0.29 0.00 0.46 0.00 0.00 57.72 58.63 1ib1 n HIS 127 Cb 0.51 -2.55 0.62 0.00 -0.12 0.00 0.00 29.99 28.46 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 4.42 0.20 -0.02 1.57 0.11 -1.94 0.24 114.38 118.95 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 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1ib1 h ARG 128 CO 0.77 0.13 0.00 0.43 0.10 0.00 0.00 179.97 181.40 1ib1 n SER 129 N -4.44 0.20 0.00 0.08 7.64 -1.26 -3.57 113.62 112.27 1ib1 n SER 129 Ca 0.26 -1.45 0.00 0.00 1.01 0.00 0.00 58.87 58.69 1ib1 n SER 129 Cb 1.07 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 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 -0.66 0.00 -1.40 1.43 3.01 0.06 -5.09 117.46 114.80 1ib1 n PHE 130 Ca 0.14 -0.14 -0.30 0.00 1.01 0.00 0.00 57.45 58.17 1ib1 n PHE 130 Cb 0.10 -0.01 0.11 0.00 -0.01 0.00 0.00 39.48 39.67 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 -0.28 1.69 -1.62 -1.08 0.52 -1.12 -3.90 118.95 113.16 1ib1 s ARG 131 Ca 0.00 0.71 0.00 0.00 -0.52 0.00 0.00 55.73 55.92 1ib1 s ARG 131 Cb 0.00 -1.87 0.00 0.00 0.52 0.00 0.00 34.95 33.60 1ib1 s ARG 131 CO 0.00 -1.91 0.00 1.04 0.02 0.00 0.00 175.30 174.45 1ib1 n GLN 132 N -3.64 -1.69 -0.03 3.54 1.13 -1.26 -4.82 117.38 110.61 1ib1 n GLN 132 Ca 0.07 0.91 0.04 0.00 -1.94 0.00 0.00 57.00 56.08 1ib1 n GLN 132 Cb 0.56 -5.41 0.06 0.00 0.11 0.00 0.00 30.24 25.55 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 -2.59 0.86 -0.38 -1.09 6.02 -1.25 -4.97 117.38 113.98 1ib1 n GLN 133 Ca -0.19 -1.24 0.00 0.00 -0.01 0.00 0.00 57.00 55.56 1ib1 n GLN 133 Cb 0.62 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.70 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 0.45 1.30 0.21 1.08 0.00 -1.26 -4.93 105.19 102.04 1ib1 n GLY 134 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 3.28 0.00 -0.14 1.61 1.57 -1.93 -1.87 116.57 119.09 1ib1 h LYS 135 Ca 0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 1ib1 h LYS 135 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1ib1 h LYS 135 CO 0.00 0.24 -0.62 0.78 -0.57 0.00 0.00 179.45 179.28 1ib1 h GLY 136 N 0.75 0.53 0.89 3.86 0.00 -1.91 -2.28 103.07 104.92 1ib1 h GLY 136 Ca -0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 47.33 46.56 1ib1 h GLY 136 CO 0.03 0.60 -0.22 1.76 0.00 0.00 0.00 176.54 178.72 1ib1 h SER 137 N 0.36 0.62 -0.79 0.19 0.02 -1.87 -1.11 113.55 110.96 1ib1 h SER 137 Ca -0.01 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1ib1 h SER 137 Cb 1.18 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.51 1ib1 h SER 137 CO 0.11 0.95 0.50 0.58 -1.14 0.00 0.00 176.83 177.83 1ib1 h VAL 138 N 0.29 1.21 -0.06 2.27 2.07 -1.32 -0.07 116.25 120.66 1ib1 h VAL 138 Ca 0.04 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1ib1 h VAL 138 Cb 0.77 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1ib1 h VAL 138 CO 0.06 0.22 -0.04 0.25 0.02 0.00 0.00 177.57 178.07 1ib1 h LEU 139 N 1.09 0.13 -0.21 2.57 6.46 -1.30 -1.23 115.31 122.81 1ib1 h LEU 139 Ca 0.29 -0.45 -0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1ib1 h LEU 139 Cb -0.08 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 1ib1 h LEU 139 CO -0.06 0.55 0.13 0.25 -0.62 0.00 0.00 178.44 178.69 1ib1 h LEU 140 N -0.29 0.25 -0.16 2.25 5.85 -0.87 0.15 115.31 122.49 1ib1 h LEU 140 Ca 0.01 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.74 1ib1 h LEU 140 Cb 0.51 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1ib1 h LEU 140 CO 0.01 0.21 -0.11 -0.50 -0.34 0.00 0.00 178.44 177.71 1ib1 h TRP 141 N 0.26 -0.27 -0.57 1.25 -0.00 -1.05 -0.72 115.95 114.86 1ib1 h TRP 141 Ca 0.07 0.02 0.10 0.00 -0.00 0.00 0.00 58.89 59.09 1ib1 h TRP 141 Cb 0.00 0.14 -0.08 0.00 -0.00 0.00 0.00 29.16 29.23 1ib1 h TRP 141 CO -0.05 -0.17 0.14 -0.09 -0.00 0.00 0.00 178.44 178.27 1ib1 h ARG 142 N -0.11 0.28 -0.32 0.49 9.65 -0.81 -1.65 114.38 121.91 1ib1 h ARG 142 Ca 0.10 -0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.89 1ib1 h ARG 142 Cb 0.25 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 1ib1 h ARG 142 CO -0.23 0.18 -0.12 -0.92 2.80 0.00 0.00 179.97 181.68 1ib1 h TYR 143 N 0.29 0.58 0.00 2.20 3.20 0.14 0.08 116.97 123.45 1ib1 h TYR 143 Ca 0.29 -0.09 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 1ib1 h TYR 143 Cb 0.41 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1ib1 h TYR 143 CO -0.22 0.65 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.47 1ib1 h LEU 144 N 0.50 0.00 0.20 2.82 3.38 -0.23 -1.36 115.31 120.61 1ib1 h LEU 144 Ca 0.09 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.80 1ib1 h LEU 144 Cb 0.51 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.29 1ib1 h LEU 144 CO 0.03 0.40 -1.17 0.45 0.09 0.00 0.00 178.44 178.25 1ib1 h HIS 145 N 0.00 0.78 0.28 1.13 3.86 -0.85 -1.59 115.15 118.76 1ib1 h HIS 145 Ca -0.00 -0.57 -0.00 0.00 -1.16 0.00 0.00 60.37 58.63 1ib1 h HIS 145 Cb 0.73 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 1ib1 h HIS 145 CO 0.00 1.45 -0.22 1.25 0.86 0.00 0.00 177.93 181.27 1ib1 h HIS 146 N -0.10 -0.58 0.00 2.45 -0.00 -0.85 -1.96 115.15 114.12 1ib1 h HIS 146 Ca -0.20 -0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 59.99 1ib1 h HIS 146 Cb 1.92 0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 29.52 1ib1 h HIS 146 CO 0.16 -0.33 -0.83 -0.39 -0.00 0.00 0.00 177.93 176.54 1ib1 h VAL 147 N -0.51 1.47 0.00 5.26 -1.51 -1.40 -3.23 116.25 116.33 1ib1 h VAL 147 Ca -0.02 -2.97 -0.04 0.00 -1.23 0.00 0.00 66.70 62.44 1ib1 h VAL 147 Cb 0.45 2.66 -0.01 0.00 -2.13 0.00 0.00 31.29 32.26 1ib1 h VAL 147 CO -0.01 0.81 -0.21 1.23 -1.23 0.00 0.00 177.57 178.16 1ib1 h GLY 148 N 2.99 0.00 2.00 5.19 0.00 -1.18 -1.76 103.07 110.30 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 -0.23 0.00 0.00 0.00 0.00 176.54 176.42 1ib1 h ALA 149 N 1.79 1.06 -2.11 3.60 0.00 -1.37 -3.42 119.26 118.81 1ib1 h ALA 149 Ca -0.00 -0.21 -0.56 0.00 0.00 0.00 0.00 54.91 54.14 1ib1 h ALA 149 Cb 0.39 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1ib1 h ALA 149 CO 0.03 0.28 1.01 -0.65 0.00 0.00 0.00 179.25 179.92 1ib1 s GLN 150 N -3.74 4.06 0.00 0.00 -0.21 -0.66 -4.90 119.66 114.21 1ib1 s GLN 150 Ca -0.00 1.70 0.00 0.00 0.02 0.00 0.00 55.36 57.08 1ib1 s GLN 150 Cb 0.11 -3.89 0.00 0.00 1.00 0.00 0.00 33.01 30.22 1ib1 s GLN 150 CO 0.63 -0.95 0.32 -2.30 -2.12 0.00 0.00 175.29 170.88 1ib1 n PRO 151 N 7.09 0.00 0.00 2.91 -0.02 -1.26 -1.58 135.00 142.14 1ib1 n PRO 151 Ca 0.16 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1ib1 n PRO 151 Cb 0.45 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 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 -0.82 1.69 -2.40 3.55 0.00 -1.26 -4.96 120.51 116.31 1ib1 n ALA 152 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1ib1 n ALA 152 Cb 0.22 0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 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 -1.69 3.70 -0.52 0.00 1.01 -0.61 -4.37 120.40 117.91 1ib1 s VAL 153 Ca 0.00 -0.16 0.23 0.00 0.00 0.00 0.00 61.98 62.05 1ib1 s VAL 153 Cb 0.00 -4.68 -0.08 0.00 0.00 0.00 0.00 36.38 31.61 1ib1 s VAL 153 CO 0.00 -1.61 1.04 0.54 0.00 0.00 0.00 175.10 175.08 1ib1 n ARG 154 N 9.10 0.36 -4.08 2.72 1.74 0.85 -4.19 116.66 123.17 1ib1 n ARG 154 Ca 0.22 0.02 -0.10 0.00 -0.77 0.00 0.00 57.85 57.22 1ib1 n ARG 154 Cb 0.50 -1.64 -0.07 0.00 -1.02 0.00 0.00 32.46 30.23 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 -3.24 1.38 0.00 5.56 3.52 -1.10 -0.24 118.95 124.83 1ib1 s ARG 155 Ca 0.03 -1.40 0.04 0.00 -0.13 0.00 0.00 55.73 54.27 1ib1 s ARG 155 Cb 0.13 0.38 -0.01 0.00 -1.56 0.00 0.00 34.95 33.90 1ib1 s ARG 155 CO 0.79 -0.53 -0.12 0.00 -0.81 0.00 0.00 175.30 174.63 1ib1 s ALA 156 N -4.07 1.03 0.01 6.12 0.00 0.76 -0.93 121.76 124.68 1ib1 s ALA 156 Ca 0.29 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.67 1ib1 s ALA 156 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1ib1 s ALA 156 CO 0.10 0.24 -0.04 0.14 0.00 0.00 0.00 175.76 176.19 1ib1 s VAL 157 N -0.42 0.29 0.20 0.00 -7.23 0.09 -0.60 120.40 112.72 1ib1 s VAL 157 Ca 0.04 -0.43 -0.22 0.00 -1.81 0.00 0.00 61.98 59.56 1ib1 s VAL 157 Cb -0.05 -0.30 0.05 0.00 0.56 0.00 0.00 36.38 36.64 1ib1 s VAL 157 CO -0.00 -0.10 0.63 -1.48 -0.31 0.00 0.00 175.10 173.84 1ib1 s LEU 158 N -0.57 -0.43 0.09 1.32 0.05 -0.95 -0.52 118.68 117.67 1ib1 s LEU 158 Ca -0.03 -0.22 0.09 0.00 0.05 0.00 0.00 54.13 54.02 1ib1 s LEU 158 Cb -0.04 2.61 -0.03 0.00 -2.05 0.00 0.00 46.19 46.68 1ib1 s LEU 158 CO -0.00 -1.09 -0.23 0.00 -0.55 0.00 0.00 176.35 174.47 1ib1 s MET 159 N -3.81 1.36 0.22 1.48 0.23 -1.26 -0.17 119.30 117.35 1ib1 s MET 159 Ca 0.05 -1.15 -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 0.50 0.00 -2.03 0.00 0.00 175.02 173.83 1ib1 s GLU 161 N -3.94 3.71 0.33 0.00 1.03 -1.26 -0.23 118.70 118.34 1ib1 s GLU 161 Ca 0.15 0.78 0.11 0.00 0.03 0.00 0.00 54.97 56.04 1ib1 s GLU 161 Cb -0.01 -2.12 0.99 0.00 -0.80 0.00 0.00 34.13 32.20 1ib1 s GLU 161 CO 0.03 -0.45 1.66 -0.44 -1.33 0.00 0.00 175.26 174.73 1ib1 h ASP 162 N 0.13 0.41 -0.94 0.83 3.45 -1.94 -1.52 116.42 116.83 1ib1 h ASP 162 Ca -0.45 0.19 0.15 0.00 0.43 0.00 0.00 57.03 57.35 1ib1 h ASP 162 Cb 1.19 0.16 -0.08 0.00 -0.56 0.00 0.00 39.33 40.04 1ib1 h ASP 162 CO 0.62 -0.13 0.60 0.00 -1.57 0.00 0.00 179.24 178.76 1ib1 h ALA 163 N 1.83 1.74 -0.00 3.45 0.00 -2.03 -1.79 119.26 122.46 1ib1 h ALA 163 Ca 0.69 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.63 1ib1 h ALA 163 Cb 1.52 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1ib1 h ALA 163 CO -0.61 -0.01 -0.11 1.28 0.00 0.00 0.00 179.25 179.80 1ib1 n LEU 164 N -4.60 0.42 -0.06 0.00 4.77 -0.57 -4.21 117.00 112.75 1ib1 n LEU 164 Ca 0.19 0.04 -0.08 0.00 -0.03 0.00 0.00 56.01 56.13 1ib1 n LEU 164 Cb 0.46 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1ib1 n LEU 164 CO 0.28 0.08 0.90 0.58 -1.33 0.00 0.00 177.39 177.89 1ib1 h VAL 165 N 0.50 0.90 0.00 4.08 2.07 -1.36 -1.33 116.25 121.11 1ib1 h VAL 165 Ca 0.00 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1ib1 h VAL 165 Cb 0.36 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1ib1 h VAL 165 CO 0.00 0.03 -0.16 -0.65 0.02 0.00 0.00 177.57 176.80 1ib1 h PRO 166 N 0.15 0.00 0.13 1.57 0.11 -1.77 -2.33 132.00 129.86 1ib1 h PRO 166 Ca 0.11 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 1ib1 h PRO 166 Cb 0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.22 1ib1 h PRO 166 CO -0.14 0.16 -0.06 0.35 -0.21 0.00 0.00 178.00 178.10 1ib1 h PHE 167 N 0.00 -0.16 0.00 0.65 3.57 -1.59 -3.19 116.94 116.21 1ib1 h PHE 167 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1ib1 h PHE 167 Cb 0.32 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 1ib1 h PHE 167 CO 0.00 0.22 -0.05 1.88 -2.23 0.00 0.00 178.31 178.13 1ib1 h TYR 168 N -0.58 0.00 0.00 0.41 0.05 -0.93 -1.81 116.97 114.12 1ib1 h TYR 168 Ca -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 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 0.05 0.05 -0.03 1.96 -1.05 0.00 0.00 178.16 179.14 1ib1 h GLN 169 N 0.00 0.00 0.00 4.88 4.20 -1.42 -2.16 115.11 120.61 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 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1ib1 h GLN 169 CO 0.01 0.03 0.00 0.54 -0.67 0.00 0.00 178.83 178.74 1ib1 n ARG 170 N -3.15 0.04 -0.02 1.46 1.74 -0.68 -2.13 116.66 113.93 1ib1 n ARG 170 Ca 0.00 0.20 0.04 0.00 -0.77 0.00 0.00 57.85 57.32 1ib1 n ARG 170 Cb 0.30 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.29 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 -1.46 0.05 0.00 -1.55 3.01 -0.84 -4.98 117.46 111.69 1ib1 n PHE 171 Ca 0.05 -0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.43 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 0.46 0.53 3.77 1.37 0.00 -0.90 -5.03 105.19 105.39 1ib1 n GLY 172 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 2.62 0.02 1.61 0.40 -1.03 -4.51 117.98 115.07 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 -3.34 -0.02 0.00 0.51 0.00 0.00 43.02 40.17 1ib1 s PHE 173 CO 0.00 -1.73 -0.15 -1.01 0.70 0.00 0.00 175.22 173.03 1ib1 s HIS 174 N -1.71 1.34 0.16 0.36 3.76 0.44 -4.12 115.29 115.52 1ib1 s HIS 174 Ca 0.73 -0.30 -0.31 0.00 -0.15 0.00 0.00 55.06 55.02 1ib1 s HIS 174 Cb -0.26 -0.83 -0.11 0.00 1.11 0.00 0.00 32.58 32.50 1ib1 s HIS 174 CO 0.29 0.01 1.73 -2.14 -0.85 0.00 0.00 174.74 173.78 1ib1 s PRO 175 N -0.75 4.15 -0.21 8.40 0.02 -1.26 -1.62 135.00 143.72 1ib1 s PRO 175 Ca 0.04 2.54 0.12 0.00 0.02 0.00 0.00 61.00 63.72 1ib1 s PRO 175 Cb -0.07 -3.31 0.42 0.00 0.02 0.00 0.00 34.50 31.57 1ib1 s PRO 175 CO 0.00 -0.76 1.28 0.00 -0.33 0.00 0.00 177.00 177.19 1ib1 n ALA 176 N 4.70 3.55 -0.36 -1.55 0.00 0.16 -4.92 120.51 122.10 1ib1 n ALA 176 Ca 0.16 -3.11 0.00 0.00 0.00 0.00 0.00 53.44 50.49 1ib1 n ALA 176 Cb 0.37 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 -1.14 -1.40 3.76 0.00 0.00 -1.26 -4.62 105.19 100.52 1ib1 n GLY 177 Ca 0.22 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.53 2.36 -3.37 1.61 -0.02 -1.26 -0.03 135.00 133.75 1ib1 n PRO 178 Ca 0.00 0.84 -0.38 0.00 -2.02 0.00 0.00 63.50 61.94 1ib1 n PRO 178 Cb 0.00 -2.62 -0.06 0.00 -0.02 0.00 0.00 33.50 30.80 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 2.37 1.99 -2.66 0.00 0.00 -1.26 -4.65 120.51 116.30 1ib1 n ALA 180 Ca -0.11 -0.09 -0.38 0.00 0.00 0.00 0.00 53.44 52.87 1ib1 n ALA 180 Cb 0.52 -1.26 -0.08 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 -2.30 5.25 -0.15 0.00 1.01 -1.26 -4.27 121.20 119.49 1ib1 s ILE 181 Ca 0.20 0.49 -0.02 0.00 0.00 0.00 0.00 60.65 61.32 1ib1 s ILE 181 Cb 0.11 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 1ib1 s ILE 181 CO 0.22 0.27 -0.08 0.68 0.00 0.00 0.00 174.94 176.03 1ib1 s VAL 182 N 1.34 3.47 -0.24 2.92 -7.23 -1.26 -4.51 120.40 114.89 1ib1 s VAL 182 Ca 0.14 -0.51 -0.00 0.00 -1.81 0.00 0.00 61.98 59.80 1ib1 s VAL 182 Cb -0.14 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.33 1ib1 s VAL 182 CO 0.07 0.50 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.58 1ib1 s VAL 183 N 0.47 2.58 0.00 1.32 1.01 -1.02 -4.96 120.40 119.80 1ib1 s VAL 183 Ca -0.06 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1ib1 s VAL 183 Cb -0.15 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1ib1 s VAL 183 CO 0.04 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1ib1 n GLY 184 N 4.60 2.41 2.20 4.51 0.00 -1.26 -0.33 105.19 117.31 1ib1 n GLY 184 Ca -0.16 0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 10.67 4.27 -4.23 1.61 7.64 -1.26 -5.03 113.62 127.29 1ib1 n SER 185 Ca 0.00 -3.42 -0.29 0.00 1.01 0.00 0.00 58.87 56.16 1ib1 n SER 185 Cb 0.00 -0.37 -0.16 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 -3.63 2.02 0.07 -3.43 1.43 0.55 -5.14 118.68 110.55 1ib1 s LEU 186 Ca 0.46 -0.45 0.09 0.00 -1.03 0.00 0.00 54.13 53.20 1ib1 s LEU 186 Cb 0.39 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 45.35 1ib1 s LEU 186 CO 0.02 0.23 -0.22 0.42 0.23 0.00 0.00 176.35 177.02 1ib1 s THR 187 N -0.18 2.51 0.22 5.49 -4.23 -1.26 -2.44 115.64 115.75 1ib1 s THR 187 Ca -0.01 -1.39 0.01 0.00 -1.18 0.00 0.00 61.69 59.12 1ib1 s THR 187 Cb -0.12 -2.06 -0.05 0.00 1.34 0.00 0.00 72.50 71.61 1ib1 s THR 187 CO 0.02 0.27 0.06 -0.36 -0.54 0.00 0.00 174.62 174.07 1ib1 s PHE 188 N -0.94 1.36 -0.07 3.99 0.08 -1.26 -4.82 117.98 116.32 1ib1 s PHE 188 Ca 0.14 -1.13 -0.11 0.00 0.12 0.00 0.00 56.93 55.94 1ib1 s PHE 188 Cb -0.10 -0.78 -0.05 0.00 -0.57 0.00 0.00 43.02 41.52 1ib1 s PHE 188 CO 0.05 -0.32 0.28 0.99 -0.10 0.00 0.00 175.22 176.12 1ib1 s THR 189 N -3.76 5.27 0.21 0.64 2.01 0.68 -0.80 115.64 119.89 1ib1 s THR 189 Ca 0.32 0.53 -0.20 0.00 0.31 0.00 0.00 61.69 62.65 1ib1 s THR 189 Cb 0.07 -3.57 -0.08 0.00 0.01 0.00 0.00 72.50 68.93 1ib1 s THR 189 CO 0.09 0.58 0.72 -0.70 -0.69 0.00 0.00 174.62 174.62 1ib1 s GLU 190 N -0.91 4.28 -0.03 4.92 2.12 0.95 -1.61 118.70 128.42 1ib1 s GLU 190 Ca 0.19 0.89 0.04 0.00 0.36 0.00 0.00 54.97 56.45 1ib1 s GLU 190 Cb -0.14 -2.94 -0.00 0.00 0.26 0.00 0.00 34.13 31.31 1ib1 s GLU 190 CO 0.08 0.43 -0.13 -1.64 -0.54 0.00 0.00 175.26 173.46 1ib1 s MET 191 N -1.84 1.36 -0.04 4.30 -1.94 0.76 0.39 119.30 122.28 1ib1 s MET 191 Ca 0.41 -0.47 0.05 0.00 -1.71 0.00 0.00 55.69 53.98 1ib1 s MET 191 Cb -0.17 -1.22 -0.01 0.00 2.01 0.00 0.00 34.83 35.43 1ib1 s MET 191 CO 0.21 0.20 -0.21 -1.01 -0.01 0.00 0.00 175.02 174.21 1ib1 s HIS 192 N 0.05 1.98 -0.16 -0.03 3.76 -0.64 -2.23 115.29 118.02 1ib1 s HIS 192 Ca -0.02 -0.54 -0.01 0.00 -0.15 0.00 0.00 55.06 54.34 1ib1 s HIS 192 Cb -0.09 -1.31 0.04 0.00 1.11 0.00 0.00 32.58 32.33 1ib1 s HIS 192 CO 0.01 -0.15 -0.03 0.00 -0.85 0.00 0.00 174.74 173.72 1ib1 s SER 194 N 1.73 7.11 0.00 0.00 0.15 -1.26 -0.17 113.70 121.25 1ib1 s SER 194 Ca 0.01 2.36 0.00 0.00 0.70 0.00 0.00 55.95 59.02 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 -0.29 0.00 0.18 1.20 0.00 0.00 173.24 174.25 1ib1 n LEU 195 N 1.45 0.00 0.00 3.45 4.77 0.66 -4.90 117.00 122.43 1ib1 n LEU 195 Ca 0.01 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.10 1ib1 n LEU 195 Cb 0.44 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 42.20 1ib1 n LEU 195 CO 0.56 0.00 0.86 -2.11 -1.33 0.00 0.00 177.39 175.36