#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iar s LYS 2 N 0.00 0.73 -0.37 -1.08 2.20 -1.26 -5.03 119.74 114.92 1iar s LYS 2 Ca 0.00 -0.58 -0.15 0.00 -0.36 0.00 0.00 55.97 54.88 1iar s LYS 2 Cb 0.00 -0.67 0.00 0.00 -1.51 0.00 0.00 37.83 35.65 1iar s LYS 2 CO 0.00 0.17 0.31 0.08 -0.36 0.00 0.00 175.35 175.54 1iar s VAL 3 N -0.73 5.23 -0.05 4.02 1.01 -1.26 -0.74 120.40 127.88 1iar s VAL 3 Ca -0.01 -0.33 -0.26 0.00 0.00 0.00 0.00 61.98 61.39 1iar s VAL 3 Cb -0.07 -3.85 -0.20 0.00 0.00 0.00 0.00 36.38 32.26 1iar s VAL 3 CO 0.01 -0.18 1.11 -0.07 0.00 0.00 0.00 175.10 175.97 1iar h LEU 4 N 8.66 -0.04 -8.34 3.92 3.38 0.41 -3.43 115.31 119.87 1iar h LEU 4 Ca -0.29 -0.54 -0.66 0.00 0.09 0.00 0.00 57.88 56.48 1iar h LEU 4 Cb 1.14 0.01 -0.29 0.00 0.09 0.00 0.00 40.66 41.61 1iar h LEU 4 CO 0.70 0.54 -0.72 -1.58 0.09 0.00 0.00 178.44 177.46 1iar s GLN 5 N -3.78 3.23 0.59 1.13 -0.44 0.60 -4.94 119.66 116.05 1iar s GLN 5 Ca -0.16 -0.72 -0.20 0.00 -2.50 0.00 0.00 55.36 51.79 1iar s GLN 5 Cb 0.01 -3.02 -0.04 0.00 -1.64 0.00 0.00 33.01 28.32 1iar s GLN 5 CO 0.64 -0.26 1.17 0.39 0.50 0.00 0.00 175.29 177.73 1iar n GLU 6 N 4.77 1.20 -1.81 1.67 1.02 -1.26 -1.71 120.64 124.52 1iar n GLU 6 Ca -0.18 0.46 -0.42 0.00 -0.02 0.00 0.00 57.16 57.00 1iar n GLU 6 Cb 0.50 -2.37 -0.02 0.00 -0.02 0.00 0.00 31.44 29.52 1iar n GLU 6 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1iar s PRO 7 N -2.92 4.15 -0.08 3.49 0.02 -1.26 -4.71 135.00 133.69 1iar s PRO 7 Ca 0.76 2.53 0.05 0.00 0.02 0.00 0.00 61.00 64.36 1iar s PRO 7 Cb -0.41 -3.07 -0.01 0.00 0.02 0.00 0.00 34.50 31.03 1iar s PRO 7 CO 0.46 -0.65 -0.24 0.95 -0.33 0.00 0.00 177.00 177.19 1iar s THR 8 N 0.58 2.07 0.19 0.99 -4.23 -0.51 -4.91 115.64 109.82 1iar s THR 8 Ca 0.68 -1.04 0.08 0.00 -1.18 0.00 0.00 61.69 60.23 1iar s THR 8 Cb -0.47 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 71.56 1iar s THR 8 CO 0.39 0.56 -0.16 0.00 -0.54 0.00 0.00 174.62 174.88 1iar s VAL 10 N -2.52 0.83 -0.03 0.00 -7.23 -0.09 -4.89 120.40 106.48 1iar s VAL 10 Ca 0.19 -1.46 0.04 0.00 -1.81 0.00 0.00 61.98 58.94 1iar s VAL 10 Cb -0.03 -1.14 -0.01 0.00 0.56 0.00 0.00 36.38 35.76 1iar s VAL 10 CO 0.07 -0.49 -0.15 -0.55 -0.31 0.00 0.00 175.10 173.67 1iar s SER 11 N -2.16 1.88 0.00 4.85 0.15 0.27 -0.68 113.70 118.01 1iar s SER 11 Ca 0.01 -0.30 0.22 0.00 0.70 0.00 0.00 55.95 56.58 1iar s SER 11 Cb -0.05 -0.41 1.10 0.00 -1.71 0.00 0.00 66.02 64.95 1iar s SER 11 CO 0.00 0.15 1.74 -0.90 1.20 0.00 0.00 173.24 175.43 1iar n ASP 12 N 3.02 0.70 -2.41 5.45 5.75 -0.75 -0.73 116.55 127.58 1iar n ASP 12 Ca -0.17 -1.46 -0.18 0.00 -0.01 0.00 0.00 54.79 52.98 1iar n ASP 12 Cb 0.54 -0.03 -0.01 0.00 -1.03 0.00 0.00 41.12 40.58 1iar n ASP 12 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1iar n TYR 13 N -0.35 -1.15 0.00 2.11 9.36 -1.26 -4.50 117.16 121.36 1iar n TYR 13 Ca 0.17 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.39 1iar n TYR 13 Cb 0.19 -3.51 0.00 0.00 -0.63 0.00 0.00 39.34 35.39 1iar n TYR 13 CO 0.00 0.00 0.00 -0.12 0.22 0.00 0.00 176.86 176.96 1iar n MET 14 N -2.93 0.00 0.00 2.98 1.56 -1.26 -4.78 117.12 112.69 1iar n MET 14 Ca -0.21 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.22 1iar n MET 14 Cb 0.66 0.00 0.00 0.00 2.15 0.00 0.00 33.22 36.03 1iar n MET 14 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1iar n SER 15 N -2.16 0.00 -3.98 6.12 3.41 -1.26 -4.24 113.62 111.51 1iar n SER 15 Ca 0.00 -0.64 -0.15 0.00 -0.26 0.00 0.00 58.87 57.81 1iar n SER 15 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1iar n SER 15 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1iar s ILE 16 N -0.00 0.45 -0.06 -1.33 1.01 -1.26 -1.34 121.20 118.67 1iar s ILE 16 Ca 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.25 1iar s ILE 16 Cb 0.00 -0.41 0.02 0.00 0.01 0.00 0.00 42.46 42.07 1iar s ILE 16 CO 0.00 0.01 -0.09 -0.44 0.00 0.00 0.00 174.94 174.42 1iar s SER 17 N -0.45 1.50 -0.13 3.58 0.01 0.39 -1.81 113.70 116.79 1iar s SER 17 Ca -0.01 -0.24 -0.00 0.00 1.31 0.00 0.00 55.95 57.01 1iar s SER 17 Cb -0.04 -0.69 -0.01 0.00 0.21 0.00 0.00 66.02 65.49 1iar s SER 17 CO -0.00 -0.01 -0.13 -0.89 0.41 0.00 0.00 173.24 172.63 1iar s THR 18 N 0.82 3.08 0.17 1.44 2.01 0.15 0.83 115.64 124.14 1iar s THR 18 Ca -0.12 -0.65 0.10 0.00 0.31 0.00 0.00 61.69 61.33 1iar s THR 18 Cb -0.15 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 1iar s THR 18 CO 0.02 0.52 -0.18 0.00 -0.69 0.00 0.00 174.62 174.29 1iar s GLU 20 N -2.62 0.42 0.31 0.00 -1.05 -0.30 -0.82 118.70 114.64 1iar s GLU 20 Ca 0.21 -0.26 -0.07 0.00 -0.15 0.00 0.00 54.97 54.70 1iar s GLU 20 Cb -0.09 0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.78 1iar s GLU 20 CO 0.12 -0.09 0.50 1.67 0.95 0.00 0.00 175.26 178.40 1iar s TRP 21 N -1.06 0.75 -0.04 4.83 -2.14 -0.56 -1.43 118.94 119.29 1iar s TRP 21 Ca -0.11 -1.07 0.00 0.00 2.66 0.00 0.00 56.10 57.58 1iar s TRP 21 Cb -0.06 0.09 0.03 0.00 -3.10 0.00 0.00 33.47 30.42 1iar s TRP 21 CO 0.01 -1.12 -0.02 0.15 -2.66 0.00 0.00 176.95 173.31 1iar s LYS 22 N -3.30 0.56 0.22 3.25 1.02 -0.69 -1.85 119.74 118.95 1iar s LYS 22 Ca 0.27 0.02 0.06 0.00 0.02 0.00 0.00 55.97 56.34 1iar s LYS 22 Cb -0.01 -0.73 -0.04 0.00 -0.52 0.00 0.00 37.83 36.54 1iar s LYS 22 CO 0.16 -0.16 0.19 -1.64 -0.92 0.00 0.00 175.35 172.98 1iar s MET 23 N 1.22 2.97 -0.14 1.68 -1.94 -0.38 0.29 119.30 123.00 1iar s MET 23 Ca -0.07 -0.97 -0.20 0.00 -1.71 0.00 0.00 55.69 52.75 1iar s MET 23 Cb -0.14 -2.62 -0.04 0.00 2.01 0.00 0.00 34.83 34.05 1iar s MET 23 CO -0.02 0.43 0.57 0.54 -0.01 0.00 0.00 175.02 176.53 1iar s ASN 24 N -3.61 6.73 0.00 3.03 4.22 0.08 -4.61 114.94 120.78 1iar s ASN 24 Ca 0.32 0.88 0.00 0.00 -2.14 0.00 0.00 52.86 51.93 1iar s ASN 24 Cb -0.09 -2.33 0.00 0.00 1.28 0.00 0.00 41.25 40.11 1iar s ASN 24 CO 0.25 -0.12 0.00 0.61 -2.04 0.00 0.00 177.10 175.80 1iar n GLY 25 N 3.45 -0.47 3.51 0.45 0.00 -1.26 -4.51 105.19 106.36 1iar n GLY 25 Ca -0.04 -1.45 -0.46 0.00 0.00 0.00 0.00 46.02 44.07 1iar n GLY 25 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1iar n PRO 26 N 0.27 0.79 -3.79 1.61 -0.04 -1.26 -4.68 135.00 127.90 1iar n PRO 26 Ca 0.00 0.28 -0.13 0.00 -0.04 0.00 0.00 63.50 63.61 1iar n PRO 26 Cb 0.00 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 1iar n PRO 26 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1iar s THR 27 N -1.04 0.01 -0.73 0.52 2.01 -0.26 -4.98 115.64 111.16 1iar s THR 27 Ca 0.61 -0.04 -0.13 0.00 0.31 0.00 0.00 61.69 62.44 1iar s THR 27 Cb -0.80 -0.37 0.19 0.00 0.01 0.00 0.00 72.50 71.54 1iar s THR 27 CO 0.58 -0.02 0.66 0.21 -0.69 0.00 0.00 174.62 175.36 1iar s ASN 28 N 0.03 6.43 0.15 3.53 3.84 -1.26 -4.72 114.94 122.93 1iar s ASN 28 Ca -0.01 -2.50 -0.26 0.00 0.21 0.00 0.00 52.86 50.30 1iar s ASN 28 Cb -0.02 -2.16 -0.00 0.00 -0.55 0.00 0.00 41.25 38.52 1iar s ASN 28 CO 0.01 -0.61 1.59 0.00 -2.79 0.00 0.00 177.10 175.29 1iar h SER 30 N -0.36 0.00 0.00 0.00 4.64 -1.76 -1.30 113.55 114.77 1iar h SER 30 Ca 0.13 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.27 1iar h SER 30 Cb 0.58 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.64 1iar h SER 30 CO -0.49 0.00 -1.65 0.35 -0.87 0.00 0.00 176.83 174.17 1iar n THR 31 N -3.18 0.65 0.03 2.95 -2.24 -1.01 -4.77 114.28 106.71 1iar n THR 31 Ca -0.02 -0.37 -0.18 0.00 -2.27 0.00 0.00 64.05 61.22 1iar n THR 31 Cb 0.25 -0.79 -0.14 0.00 -2.10 0.00 0.00 70.33 67.54 1iar n THR 31 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1iar h GLU 32 N 0.00 0.24 -6.22 -0.78 5.08 -0.93 -3.48 114.58 108.49 1iar h GLU 32 Ca -0.26 -0.41 -0.54 0.00 -1.00 0.00 0.00 59.36 57.15 1iar h GLU 32 Cb 1.54 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.87 1iar h GLU 32 CO 0.00 1.08 -0.58 -0.51 -1.00 0.00 0.00 179.01 178.00 1iar s LEU 33 N -6.91 3.57 -0.11 1.33 1.43 -0.50 -3.76 118.68 113.73 1iar s LEU 33 Ca -0.14 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.55 1iar s LEU 33 Cb 0.07 -2.13 0.06 0.00 0.03 0.00 0.00 46.19 44.22 1iar s LEU 33 CO 0.82 0.01 0.23 -0.13 0.23 0.00 0.00 176.35 177.51 1iar s ARG 34 N -3.55 0.12 -0.35 1.70 1.81 -0.46 -4.50 118.95 113.71 1iar s ARG 34 Ca 0.31 0.66 -0.12 0.00 -1.72 0.00 0.00 55.73 54.87 1iar s ARG 34 Cb -0.08 -0.11 0.00 0.00 -0.45 0.00 0.00 34.95 34.31 1iar s ARG 34 CO 0.22 -0.27 0.21 -1.17 -0.68 0.00 0.00 175.30 173.61 1iar s LEU 35 N 2.21 4.52 -0.06 2.53 2.96 -0.86 -1.19 118.68 128.79 1iar s LEU 35 Ca 0.00 -0.66 -0.14 0.00 -0.22 0.00 0.00 54.13 53.12 1iar s LEU 35 Cb -0.12 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 1iar s LEU 35 CO -0.08 -0.29 0.36 -0.76 -1.32 0.00 0.00 176.35 174.26 1iar s LEU 36 N 1.64 4.40 -0.00 -0.68 1.02 -0.18 -0.14 118.68 124.74 1iar s LEU 36 Ca 0.04 0.80 0.01 0.00 0.02 0.00 0.00 54.13 55.00 1iar s LEU 36 Cb -0.18 -2.48 0.00 0.00 0.02 0.00 0.00 46.19 43.55 1iar s LEU 36 CO 0.08 0.27 -0.01 -0.72 0.02 0.00 0.00 176.35 175.98 1iar s TYR 37 N -0.63 0.16 -0.06 0.29 1.13 -0.19 -0.57 117.35 117.49 1iar s TYR 37 Ca 0.21 -0.02 -0.04 0.00 -1.41 0.00 0.00 57.07 55.81 1iar s TYR 37 Cb -0.15 -0.13 0.03 0.00 -1.10 0.00 0.00 41.96 40.61 1iar s TYR 37 CO 0.10 -0.01 0.14 -1.14 -2.51 0.00 0.00 175.55 172.13 1iar s GLN 38 N 0.08 0.13 0.21 -3.49 0.74 -0.32 -1.70 119.66 115.32 1iar s GLN 38 Ca -0.00 0.28 -0.31 0.00 0.05 0.00 0.00 55.36 55.38 1iar s GLN 38 Cb -0.02 -0.04 -0.10 0.00 1.10 0.00 0.00 33.01 33.95 1iar s GLN 38 CO -0.00 -0.09 1.48 -1.17 -0.55 0.00 0.00 175.29 174.96 1iar s LEU 39 N 0.60 4.38 -1.26 3.68 2.96 -1.26 -1.03 118.68 126.75 1iar s LEU 39 Ca -0.04 2.63 -0.16 0.00 -0.22 0.00 0.00 54.13 56.33 1iar s LEU 39 Cb -0.06 -3.61 0.11 0.00 0.50 0.00 0.00 46.19 43.13 1iar s LEU 39 CO -0.03 -0.74 1.61 -0.69 -1.32 0.00 0.00 176.35 175.18 1iar s VAL 40 N 0.47 4.49 -0.07 1.68 1.01 -0.11 -4.77 120.40 123.10 1iar s VAL 40 Ca 0.63 -2.20 -0.22 0.00 0.00 0.00 0.00 61.98 60.20 1iar s VAL 40 Cb -0.42 -5.08 0.05 0.00 0.00 0.00 0.00 36.38 30.93 1iar s VAL 40 CO 0.38 -1.86 0.50 0.12 0.00 0.00 0.00 175.10 174.24 1iar s PHE 41 N 3.15 -0.46 0.22 5.22 5.36 -1.26 -4.79 117.98 125.42 1iar s PHE 41 Ca 0.49 0.87 -0.09 0.00 -0.96 0.00 0.00 56.93 57.25 1iar s PHE 41 Cb 0.01 0.24 0.33 0.00 -0.34 0.00 0.00 43.02 43.26 1iar s PHE 41 CO 0.04 -0.45 1.70 1.25 -1.46 0.00 0.00 175.22 176.31 1iar h LEU 42 N 3.88 0.01 -8.19 6.12 5.85 -2.04 -3.29 115.31 117.65 1iar h LEU 42 Ca -0.28 0.12 -0.65 0.00 0.84 0.00 0.00 57.88 57.91 1iar h LEU 42 Cb 1.16 0.16 -0.15 0.00 0.37 0.00 0.00 40.66 42.20 1iar h LEU 42 CO 0.34 0.00 0.59 -0.76 -0.34 0.00 0.00 178.44 178.27 1iar s LEU 43 N -10.53 4.58 0.27 2.25 1.43 -1.26 -4.97 118.68 110.45 1iar s LEU 43 Ca -0.13 -1.25 -0.20 0.00 -1.03 0.00 0.00 54.13 51.52 1iar s LEU 43 Cb 0.19 -2.41 0.02 0.00 0.03 0.00 0.00 46.19 44.02 1iar s LEU 43 CO 0.74 -1.34 0.69 -0.94 0.23 0.00 0.00 176.35 175.73 1iar s SER 44 N 3.69 -0.25 -0.03 2.29 1.04 -1.24 -5.01 113.70 114.19 1iar s SER 44 Ca 0.24 -0.62 -0.01 0.00 0.48 0.00 0.00 55.95 56.04 1iar s SER 44 Cb -0.15 0.71 0.02 0.00 0.10 0.00 0.00 66.02 66.71 1iar s SER 44 CO 0.05 -1.31 0.05 -0.70 0.98 0.00 0.00 173.24 172.31 1iar s GLU 45 N -3.92 0.01 0.15 4.02 2.12 -1.26 -5.04 118.70 114.77 1iar s GLU 45 Ca 0.12 0.18 -0.31 0.00 0.36 0.00 0.00 54.97 55.32 1iar s GLU 45 Cb -0.05 -0.16 -0.09 0.00 0.26 0.00 0.00 34.13 34.08 1iar s GLU 45 CO 0.06 -0.12 1.50 0.00 -0.54 0.00 0.00 175.26 176.16 1iar s ALA 46 N 0.80 3.71 0.20 6.30 0.00 -1.26 -4.61 121.76 126.89 1iar s ALA 46 Ca -0.06 1.27 0.11 0.00 0.00 0.00 0.00 51.96 53.28 1iar s ALA 46 Cb -0.09 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 1iar s ALA 46 CO -0.03 -0.71 -0.23 -1.01 0.00 0.00 0.00 175.76 173.78 1iar s HIS 47 N 1.12 2.27 -0.13 0.00 0.09 -0.69 -4.98 115.29 112.97 1iar s HIS 47 Ca 0.68 -0.36 0.02 0.00 -0.00 0.00 0.00 55.06 55.40 1iar s HIS 47 Cb -0.41 -1.11 0.01 0.00 -0.00 0.00 0.00 32.58 31.07 1iar s HIS 47 CO 0.31 0.51 -0.20 0.99 -0.00 0.00 0.00 174.74 176.35 1iar s THR 48 N -1.79 1.90 -0.14 1.30 2.01 -1.26 -1.02 115.64 116.64 1iar s THR 48 Ca 0.21 -0.88 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 1iar s THR 48 Cb -0.07 -1.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.71 1iar s THR 48 CO 0.10 0.52 0.01 0.00 -0.69 0.00 0.00 174.62 174.56 1iar s ILE 50 N -0.06 4.97 1.05 0.00 2.07 -1.26 -2.02 121.20 125.94 1iar s ILE 50 Ca 0.04 -0.51 -0.12 0.00 -1.41 0.00 0.00 60.65 58.65 1iar s ILE 50 Cb -0.13 -3.65 0.22 0.00 0.13 0.00 0.00 42.46 39.03 1iar s ILE 50 CO 0.02 -0.11 1.07 -2.16 -1.91 0.00 0.00 174.94 171.84 1iar s PRO 51 N 1.65 -0.01 0.05 3.50 0.04 -1.26 -4.83 135.00 134.14 1iar s PRO 51 Ca 0.05 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1iar s PRO 51 Cb -0.18 -1.66 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 1iar s PRO 51 CO 0.09 -3.11 -0.04 -1.83 0.04 0.00 0.00 177.00 172.15 1iar s GLU 52 N -4.70 0.55 0.50 4.56 -1.05 -0.67 -2.43 118.70 115.46 1iar s GLU 52 Ca 0.67 -1.02 -0.16 0.00 -0.15 0.00 0.00 54.97 54.31 1iar s GLU 52 Cb -0.22 0.06 -0.08 0.00 -0.44 0.00 0.00 34.13 33.46 1iar s GLU 52 CO 0.61 -0.06 0.96 -0.80 0.95 0.00 0.00 175.26 176.92 1iar s ASN 53 N -2.39 6.62 -0.39 0.83 -0.87 -1.26 -0.80 114.94 116.69 1iar s ASN 53 Ca -0.01 1.53 0.11 0.00 -1.57 0.00 0.00 52.86 52.92 1iar s ASN 53 Cb 0.01 -2.49 0.35 0.00 -0.02 0.00 0.00 41.25 39.09 1iar s ASN 53 CO -0.06 -0.56 0.74 -0.46 -2.57 0.00 0.00 177.10 174.20 1iar n ASN 54 N -1.53 1.15 0.00 -1.22 6.94 -0.26 -4.81 115.26 115.54 1iar n ASN 54 Ca 0.06 -3.06 0.00 0.00 -0.02 0.00 0.00 54.58 51.56 1iar n ASN 54 Cb 0.54 -0.62 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 1iar n ASN 54 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1iar n GLY 55 N 0.26 2.38 0.22 4.83 0.00 -1.26 -4.21 105.19 107.42 1iar n GLY 55 Ca 0.25 -2.10 0.10 0.00 0.00 0.00 0.00 46.02 44.28 1iar n GLY 55 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1iar h GLY 56 N 0.00 0.00 -0.83 -0.02 0.00 -1.97 -3.13 103.07 97.12 1iar h GLY 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iar h GLY 56 CO 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.52 1iar n ALA 57 N -2.23 2.51 -2.59 3.60 0.00 -1.26 -1.11 120.51 119.42 1iar n ALA 57 Ca -0.00 -0.57 -0.31 0.00 0.00 0.00 0.00 53.44 52.56 1iar n ALA 57 Cb 0.42 -0.36 -0.10 0.00 0.00 0.00 0.00 19.45 19.41 1iar n ALA 57 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1iar s GLY 58 N -0.93 1.79 0.08 0.00 0.00 -1.19 -1.25 107.32 105.82 1iar s GLY 58 Ca 0.12 -1.15 0.06 0.00 0.00 0.00 0.00 44.72 43.75 1iar s GLY 58 CO 0.14 -1.09 -0.16 0.00 0.00 0.00 0.00 173.10 171.99 1iar s VAL 60 N -1.20 0.74 -0.01 0.00 1.01 0.02 -1.49 120.40 119.47 1iar s VAL 60 Ca 0.01 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 1iar s VAL 60 Cb -0.10 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.60 1iar s VAL 60 CO 0.03 -0.02 0.02 0.00 0.00 0.00 0.00 175.10 175.13 1iar s HIS 62 N 0.12 3.33 0.12 0.00 3.76 -1.26 -0.79 115.29 120.57 1iar s HIS 62 Ca -0.01 -1.57 -0.24 0.00 -0.15 0.00 0.00 55.06 53.10 1iar s HIS 62 Cb -0.01 -2.70 -0.07 0.00 1.11 0.00 0.00 32.58 30.90 1iar s HIS 62 CO -0.00 -0.81 0.73 -0.51 -0.85 0.00 0.00 174.74 173.30 1iar s LEU 63 N 1.39 4.55 -0.20 0.89 1.43 0.24 -4.91 118.68 122.08 1iar s LEU 63 Ca 0.02 1.53 -0.05 0.00 -1.03 0.00 0.00 54.13 54.59 1iar s LEU 63 Cb -0.21 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 1iar s LEU 63 CO 0.02 0.19 0.01 -0.76 0.23 0.00 0.00 176.35 176.04 1iar s LEU 64 N -0.94 3.35 -0.04 1.79 1.43 -1.26 -0.46 118.68 122.56 1iar s LEU 64 Ca 0.35 -0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.36 1iar s LEU 64 Cb -0.22 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 1iar s LEU 64 CO 0.24 0.09 -0.22 -0.04 0.23 0.00 0.00 176.35 176.65 1iar s MET 65 N 0.87 2.34 0.15 1.70 -1.94 -0.45 -4.99 119.30 116.98 1iar s MET 65 Ca 0.01 -0.85 0.02 0.00 -1.71 0.00 0.00 55.69 53.17 1iar s MET 65 Cb -0.14 -2.18 -0.05 0.00 2.01 0.00 0.00 34.83 34.47 1iar s MET 65 CO 0.02 0.54 1.35 0.22 -0.01 0.00 0.00 175.02 177.14 1iar h ASP 66 N 5.57 0.24 -4.60 3.03 3.58 -1.85 -3.38 116.42 119.02 1iar h ASP 66 Ca -0.42 -0.21 0.06 0.00 0.42 0.00 0.00 57.03 56.89 1iar h ASP 66 Cb 1.14 -0.08 -0.17 0.00 1.72 0.00 0.00 39.33 41.94 1iar h ASP 66 CO 0.48 1.04 0.43 -0.62 -2.88 0.00 0.00 179.24 177.69 1iar s ASP 67 N -6.93 -0.43 -0.07 2.28 2.15 -1.26 -4.91 116.67 107.50 1iar s ASP 67 Ca -0.03 0.21 -0.06 0.00 0.43 0.00 0.00 52.55 53.10 1iar s ASP 67 Cb 0.10 0.41 0.02 0.00 -0.30 0.00 0.00 42.92 43.15 1iar s ASP 67 CO 0.83 -0.59 0.18 0.54 -0.17 0.00 0.00 175.17 175.96 1iar s VAL 68 N -2.39 -0.01 0.40 1.11 0.11 -1.26 -5.05 120.40 113.30 1iar s VAL 68 Ca 0.00 0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.12 1iar s VAL 68 Cb -0.01 -0.26 -0.05 0.00 -1.53 0.00 0.00 36.38 34.53 1iar s VAL 68 CO -0.04 0.01 0.05 0.68 -3.33 0.00 0.00 175.10 172.47 1iar s VAL 69 N 0.29 1.28 0.18 2.04 -7.23 -1.26 -4.97 120.40 110.72 1iar s VAL 69 Ca -0.02 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.00 1iar s VAL 69 Cb -0.03 -2.64 0.11 0.00 0.56 0.00 0.00 36.38 34.38 1iar s VAL 69 CO -0.01 0.00 1.68 -1.28 -0.31 0.00 0.00 175.10 175.18 1iar h SER 70 N 1.82 -0.28 1.01 4.85 0.87 -2.01 -2.56 113.55 117.24 1iar h SER 70 Ca -0.41 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1iar h SER 70 Cb 1.26 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.45 1iar h SER 70 CO 0.71 -0.10 0.00 0.00 -0.53 0.00 0.00 176.83 176.91 1iar h ALA 71 N 1.42 1.00 -2.50 6.23 0.00 -2.02 -3.43 119.26 119.95 1iar h ALA 71 Ca 0.22 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.57 1iar h ALA 71 Cb 0.33 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.19 1iar h ALA 71 CO -0.41 0.00 0.84 -0.25 0.00 0.00 0.00 179.25 179.43 1iar n ASP 72 N -2.59 3.45 -4.06 0.00 8.00 -0.97 -5.01 116.55 115.38 1iar n ASP 72 Ca 0.02 1.10 -0.17 0.00 0.71 0.00 0.00 54.79 56.46 1iar n ASP 72 Cb 0.30 -1.51 -0.13 0.00 -0.02 0.00 0.00 41.12 39.76 1iar n ASP 72 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1iar s ASN 73 N 0.77 1.08 -0.05 -2.24 0.01 -1.26 -4.10 114.94 109.15 1iar s ASN 73 Ca 0.72 -0.35 0.05 0.00 -0.71 0.00 0.00 52.86 52.58 1iar s ASN 73 Cb -0.58 -0.06 -0.01 0.00 0.41 0.00 0.00 41.25 41.01 1iar s ASN 73 CO 0.41 -0.01 -0.21 -0.31 -1.51 0.00 0.00 177.10 175.47 1iar s TYR 74 N -0.72 2.04 -0.10 2.20 1.51 0.07 -0.93 117.35 121.42 1iar s TYR 74 Ca -0.01 -0.57 -0.18 0.00 -1.01 0.00 0.00 57.07 55.30 1iar s TYR 74 Cb -0.06 -1.35 -0.04 0.00 -0.11 0.00 0.00 41.96 40.39 1iar s TYR 74 CO 0.00 -0.17 0.47 0.99 -1.11 0.00 0.00 175.55 175.73 1iar s THR 75 N -0.11 5.16 -0.14 -0.71 2.01 -0.20 -0.39 115.64 121.26 1iar s THR 75 Ca -0.02 0.94 0.01 0.00 0.31 0.00 0.00 61.69 62.93 1iar s THR 75 Cb -0.12 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.58 1iar s THR 75 CO 0.02 0.36 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.38 1iar s LEU 76 N 0.41 2.37 -0.20 4.42 1.02 0.66 -1.17 118.68 126.18 1iar s LEU 76 Ca 0.26 -0.50 0.01 0.00 0.02 0.00 0.00 54.13 53.91 1iar s LEU 76 Cb -0.15 -1.52 0.05 0.00 0.02 0.00 0.00 46.19 44.58 1iar s LEU 76 CO 0.11 0.10 -0.09 -1.81 0.02 0.00 0.00 176.35 174.68 1iar s ASP 77 N 0.72 3.44 -0.47 2.29 1.01 0.27 -0.67 116.67 123.25 1iar s ASP 77 Ca -0.08 -0.93 -0.22 0.00 0.71 0.00 0.00 52.55 52.04 1iar s ASP 77 Cb -0.16 -1.18 0.03 0.00 1.01 0.00 0.00 42.92 42.62 1iar s ASP 77 CO 0.01 -0.17 0.74 -0.22 0.21 0.00 0.00 175.17 175.74 1iar s LEU 78 N 1.42 4.43 0.05 1.23 2.96 -0.19 -1.01 118.68 127.57 1iar s LEU 78 Ca -0.02 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 1iar s LEU 78 Cb -0.17 -2.77 -0.04 0.00 0.50 0.00 0.00 46.19 43.71 1iar s LEU 78 CO -0.08 -0.92 0.00 0.26 -1.32 0.00 0.00 176.35 174.30 1iar s TRP 79 N 3.14 3.03 -0.30 5.38 0.52 -0.33 -0.14 118.94 130.25 1iar s TRP 79 Ca 0.25 0.02 0.01 0.00 0.02 0.00 0.00 56.10 56.40 1iar s TRP 79 Cb -0.14 -1.60 0.09 0.00 -1.15 0.00 0.00 33.47 30.67 1iar s TRP 79 CO 0.19 0.47 0.04 0.00 0.02 0.00 0.00 176.95 177.67 1iar s ALA 80 N -1.22 2.10 0.00 0.98 0.00 -0.49 -1.36 121.76 121.77 1iar s ALA 80 Ca 0.23 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.35 1iar s ALA 80 Cb -0.12 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1iar s ALA 80 CO 0.15 -1.53 0.00 0.41 0.00 0.00 0.00 175.76 174.80 1iar n GLY 81 N 4.60 0.51 0.16 0.00 0.00 -1.25 -1.20 105.19 108.02 1iar n GLY 81 Ca -0.03 0.59 0.07 0.00 0.00 0.00 0.00 46.02 46.65 1iar n GLY 81 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1iar n GLN 82 N 0.00 1.07 -3.93 1.61 6.02 -1.26 -4.98 117.38 115.90 1iar n GLN 82 Ca 0.00 -2.10 -0.35 0.00 -0.01 0.00 0.00 57.00 54.54 1iar n GLN 82 Cb 0.00 -1.22 -0.14 0.00 1.02 0.00 0.00 30.24 29.90 1iar n GLN 82 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1iar s GLN 83 N -2.03 3.21 -0.32 -1.09 -0.21 -0.34 -5.07 119.66 113.80 1iar s GLN 83 Ca 0.22 -0.73 -0.29 0.00 0.02 0.00 0.00 55.36 54.58 1iar s GLN 83 Cb 0.19 -2.98 0.00 0.00 1.00 0.00 0.00 33.01 31.22 1iar s GLN 83 CO 0.02 -0.25 1.36 -1.17 -2.12 0.00 0.00 175.29 173.13 1iar s LEU 84 N 1.43 3.80 0.05 2.90 0.20 -1.26 -1.39 118.68 124.41 1iar s LEU 84 Ca 0.04 1.15 0.13 0.00 0.69 0.00 0.00 54.13 56.14 1iar s LEU 84 Cb -0.15 -3.54 -0.17 0.00 -0.43 0.00 0.00 46.19 41.90 1iar s LEU 84 CO -0.04 -1.19 0.91 -0.07 -0.29 0.00 0.00 176.35 175.66 1iar h LEU 85 N 11.30 0.00 -7.00 -0.68 3.38 -0.89 -3.48 115.31 117.93 1iar h LEU 85 Ca -0.27 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.73 1iar h LEU 85 Cb 1.10 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.62 1iar h LEU 85 CO 1.04 0.84 0.41 0.86 0.09 0.00 0.00 178.44 181.69 1iar s TRP 86 N -2.74 -0.50 -0.03 1.13 -0.00 -1.19 -4.87 118.94 110.74 1iar s TRP 86 Ca -0.02 1.03 -0.01 0.00 -0.00 0.00 0.00 56.10 57.11 1iar s TRP 86 Cb 0.09 0.39 0.03 0.00 -0.00 0.00 0.00 33.47 33.98 1iar s TRP 86 CO 0.81 -0.36 0.03 0.21 -0.00 0.00 0.00 176.95 177.65 1iar s LYS 87 N -0.52 0.11 0.00 5.86 2.20 -1.26 -1.02 119.74 125.10 1iar s LYS 87 Ca -0.02 0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.81 1iar s LYS 87 Cb -0.02 -0.47 0.00 0.00 -1.51 0.00 0.00 37.83 35.83 1iar s LYS 87 CO 0.00 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.18 1iar n GLY 88 N 4.63 3.01 3.11 5.54 0.00 0.15 -5.00 105.19 116.63 1iar n GLY 88 Ca -0.17 -1.14 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 1iar n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iar s SER 89 N -0.10 0.98 -0.04 1.61 1.04 -1.26 -0.25 113.70 115.68 1iar s SER 89 Ca 0.00 -0.75 -0.02 0.00 0.48 0.00 0.00 55.95 55.66 1iar s SER 89 Cb 0.00 0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.22 1iar s SER 89 CO 0.00 -0.32 0.07 0.12 0.98 0.00 0.00 173.24 174.09 1iar s PHE 90 N -2.38 -0.00 -0.50 5.02 5.36 0.48 -4.93 117.98 121.02 1iar s PHE 90 Ca -0.00 0.28 -0.11 0.00 -0.96 0.00 0.00 56.93 56.13 1iar s PHE 90 Cb -0.03 -0.33 0.13 0.00 -0.34 0.00 0.00 43.02 42.45 1iar s PHE 90 CO -0.02 -0.16 0.40 0.21 -1.46 0.00 0.00 175.22 174.19 1iar s LYS 91 N 1.69 2.64 0.25 10.12 2.20 -1.26 -0.75 119.74 134.63 1iar s LYS 91 Ca -0.02 -1.79 -0.05 0.00 -0.36 0.00 0.00 55.97 53.75 1iar s LYS 91 Cb -0.12 -4.04 0.48 0.00 -1.51 0.00 0.00 37.83 32.64 1iar s LYS 91 CO -0.04 -1.23 1.65 -1.35 -0.36 0.00 0.00 175.35 174.02 1iar h PRO 92 N 8.52 0.16 0.00 4.03 0.11 -1.92 -2.46 132.00 140.43 1iar h PRO 92 Ca -0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1iar h PRO 92 Cb 1.08 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1iar h PRO 92 CO 0.90 0.10 0.00 0.66 -0.21 0.00 0.00 178.00 179.46 1iar h SER 93 N 0.16 0.00 -0.09 -2.05 4.64 -1.83 -0.10 113.55 114.27 1iar h SER 93 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1iar h SER 93 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1iar h SER 93 CO -0.62 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 174.72 1iar n GLU 94 N -2.76 2.36 -2.67 4.77 1.02 -0.93 -4.38 120.64 118.04 1iar n GLU 94 Ca -0.02 -1.99 -0.08 0.00 -0.02 0.00 0.00 57.16 55.06 1iar n GLU 94 Cb 0.08 -1.47 0.04 0.00 -0.02 0.00 0.00 31.44 30.07 1iar n GLU 94 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1iar n HIS 95 N 1.37 1.49 -2.58 -0.32 8.25 -0.06 -5.07 115.22 118.29 1iar n HIS 95 Ca 0.15 -2.50 -0.42 0.00 -0.26 0.00 0.00 57.72 54.68 1iar n HIS 95 Cb 0.60 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 1iar n HIS 95 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1iar s VAL 96 N -3.70 4.52 -0.21 1.59 1.01 -1.17 -0.57 120.40 121.88 1iar s VAL 96 Ca 0.30 1.81 0.00 0.00 0.00 0.00 0.00 61.98 64.10 1iar s VAL 96 Cb 0.39 -4.16 0.05 0.00 0.00 0.00 0.00 36.38 32.66 1iar s VAL 96 CO -0.01 0.09 -0.06 -0.75 0.00 0.00 0.00 175.10 174.37 1iar s LYS 97 N 1.41 1.64 0.66 2.72 2.20 0.09 -2.73 119.74 125.73 1iar s LYS 97 Ca 0.54 -0.80 -0.14 0.00 -0.36 0.00 0.00 55.97 55.21 1iar s LYS 97 Cb -0.23 -2.37 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 1iar s LYS 97 CO 0.25 -0.51 1.09 -1.25 -0.36 0.00 0.00 175.35 174.57 1iar s PRO 98 N 1.48 2.87 0.57 4.03 0.04 -1.26 -3.66 135.00 139.07 1iar s PRO 98 Ca -0.03 1.25 -0.20 0.00 0.04 0.00 0.00 61.00 62.06 1iar s PRO 98 Cb -0.17 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1iar s PRO 98 CO -0.07 -1.18 1.26 0.50 0.04 0.00 0.00 177.00 177.55 1iar s ARG 99 N -4.33 3.05 0.24 4.56 3.52 -1.26 -4.27 118.95 120.46 1iar s ARG 99 Ca 0.64 1.99 -0.25 0.00 -0.13 0.00 0.00 55.73 57.98 1iar s ARG 99 Cb -0.18 -2.08 -0.09 0.00 -1.56 0.00 0.00 34.95 31.05 1iar s ARG 99 CO 0.44 -1.18 0.84 0.00 -0.81 0.00 0.00 175.30 174.59 1iar s ALA 100 N -1.46 3.35 0.69 6.12 0.00 -1.26 -4.82 121.76 124.38 1iar s ALA 100 Ca 0.75 0.41 -0.15 0.00 0.00 0.00 0.00 51.96 52.97 1iar s ALA 100 Cb -0.34 -3.04 0.02 0.00 0.00 0.00 0.00 23.12 19.76 1iar s ALA 100 CO 0.39 0.25 1.14 -2.14 0.00 0.00 0.00 175.76 175.40 1iar s PRO 101 N -1.59 2.50 0.02 0.00 0.02 -1.26 -4.62 135.00 130.07 1iar s PRO 101 Ca 0.42 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.96 1iar s PRO 101 Cb -0.21 -1.90 -0.00 0.00 0.02 0.00 0.00 34.50 32.41 1iar s PRO 101 CO 0.25 -1.50 0.02 0.41 -0.33 0.00 0.00 177.00 175.85 1iar n GLY 102 N -0.20 3.73 2.44 0.52 0.00 -1.21 -4.25 105.19 106.22 1iar n GLY 102 Ca 0.11 -1.61 -0.20 0.00 0.00 0.00 0.00 46.02 44.32 1iar n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1iar n ASN 103 N -2.71 -5.66 -4.62 1.61 3.02 -1.26 -0.61 115.26 105.02 1iar n ASN 103 Ca 0.00 0.14 -0.43 0.00 -0.03 0.00 0.00 54.58 54.26 1iar n ASN 103 Cb 0.04 -4.76 -0.03 0.00 -0.61 0.00 0.00 39.78 34.43 1iar n ASN 103 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1iar s LEU 104 N -5.45 3.83 0.20 3.41 2.96 -1.26 -4.36 118.68 118.01 1iar s LEU 104 Ca 0.00 1.65 0.04 0.00 -0.22 0.00 0.00 54.13 55.60 1iar s LEU 104 Cb 0.00 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.11 1iar s LEU 104 CO 0.00 -1.38 -0.05 0.42 -1.32 0.00 0.00 176.35 174.03 1iar s THR 105 N 5.68 1.11 -0.03 3.68 -4.23 -0.36 -4.75 115.64 116.74 1iar s THR 105 Ca 0.76 -2.05 0.07 0.00 -1.18 0.00 0.00 61.69 59.29 1iar s THR 105 Cb -0.26 -2.13 -0.02 0.00 1.34 0.00 0.00 72.50 71.43 1iar s THR 105 CO 0.31 -0.51 -0.23 -0.69 -0.54 0.00 0.00 174.62 172.96 1iar s VAL 106 N -3.37 2.29 0.00 2.29 1.01 -1.26 -1.28 120.40 120.07 1iar s VAL 106 Ca 0.23 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1iar s VAL 106 Cb 0.04 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.60 1iar s VAL 106 CO 0.05 0.58 0.00 1.57 0.00 0.00 0.00 175.10 177.30 1iar n HIS 107 N 2.43 0.00 -4.94 5.22 -0.00 0.18 -5.02 115.22 113.10 1iar n HIS 107 Ca -0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.02 1iar n HIS 107 Cb 0.51 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.38 1iar n HIS 107 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 1iar n ASP 112 N -0.39 -0.25 -4.87 0.26 5.68 -1.26 -3.78 116.55 111.94 1iar n ASP 112 Ca 0.00 0.00 -0.23 0.00 -0.50 0.00 0.00 54.79 54.06 1iar n ASP 112 Cb 0.00 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.05 1iar n ASP 112 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1iar s THR 113 N 0.00 2.42 -0.05 2.12 -1.32 -1.26 -4.77 115.64 112.77 1iar s THR 113 Ca 0.00 -0.52 0.02 0.00 -1.21 0.00 0.00 61.69 59.98 1iar s THR 113 Cb 0.00 -2.90 0.01 0.00 -1.51 0.00 0.00 72.50 68.11 1iar s THR 113 CO 0.00 0.00 -0.09 -0.22 -2.21 0.00 0.00 174.62 172.10 1iar s LEU 114 N -5.02 1.55 -0.13 9.08 2.96 -0.10 -4.98 118.68 122.05 1iar s LEU 114 Ca 0.61 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 54.33 1iar s LEU 114 Cb -0.09 -0.64 0.01 0.00 0.50 0.00 0.00 46.19 45.97 1iar s LEU 114 CO 0.42 0.01 -0.21 -0.22 -1.32 0.00 0.00 176.35 175.03 1iar s LEU 115 N 0.67 2.04 -0.05 -0.68 2.96 -1.25 -0.63 118.68 121.75 1iar s LEU 115 Ca -0.12 -0.57 0.00 0.00 -0.22 0.00 0.00 54.13 53.23 1iar s LEU 115 Cb -0.14 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 1iar s LEU 115 CO 0.02 0.08 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.34 1iar s LEU 116 N 0.80 3.40 -0.02 -0.68 1.02 0.05 -0.64 118.68 122.60 1iar s LEU 116 Ca -0.08 0.02 -0.05 0.00 0.02 0.00 0.00 54.13 54.04 1iar s LEU 116 Cb -0.16 -1.83 0.00 0.00 0.02 0.00 0.00 46.19 44.22 1iar s LEU 116 CO -0.01 0.34 0.12 0.28 0.02 0.00 0.00 176.35 177.09 1iar s THR 117 N -0.93 0.05 0.30 5.49 -1.32 -0.41 -0.81 115.64 118.02 1iar s THR 117 Ca 0.15 -0.39 -0.10 0.00 -1.21 0.00 0.00 61.69 60.15 1iar s THR 117 Cb -0.11 -0.30 0.01 0.00 -1.51 0.00 0.00 72.50 70.59 1iar s THR 117 CO 0.05 -0.21 0.53 -1.66 -2.21 0.00 0.00 174.62 171.11 1iar s TRP 118 N -0.71 0.57 -0.12 9.09 -2.14 -0.98 -1.23 118.94 123.43 1iar s TRP 118 Ca -0.08 -0.93 -0.06 0.00 2.66 0.00 0.00 56.10 57.69 1iar s TRP 118 Cb -0.05 0.19 -0.04 0.00 -3.10 0.00 0.00 33.47 30.48 1iar s TRP 118 CO 0.01 -1.13 0.11 -1.12 -2.66 0.00 0.00 176.95 172.16 1iar s SER 119 N -3.10 6.17 0.11 -2.66 0.01 0.22 -4.70 113.70 109.76 1iar s SER 119 Ca 0.24 0.41 -0.31 0.00 1.31 0.00 0.00 55.95 57.60 1iar s SER 119 Cb -0.01 -1.96 -0.07 0.00 0.21 0.00 0.00 66.02 64.18 1iar s SER 119 CO 0.13 0.40 1.31 0.21 0.41 0.00 0.00 173.24 175.70 1iar s ASN 120 N -0.98 6.93 0.00 2.44 3.84 -1.26 -3.34 114.94 122.57 1iar s ASN 120 Ca 0.15 2.23 0.27 0.00 0.21 0.00 0.00 52.86 55.72 1iar s ASN 120 Cb -0.12 -2.59 1.43 0.00 -0.55 0.00 0.00 41.25 39.42 1iar s ASN 120 CO 0.04 -0.57 1.93 -0.81 -2.79 0.00 0.00 177.10 174.89 1iar n PRO 121 N 3.72 0.52 -4.14 0.43 -0.04 -1.26 -4.82 135.00 129.41 1iar n PRO 121 Ca 0.10 0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.30 1iar n PRO 121 Cb 0.44 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.32 1iar n PRO 121 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1iar s TYR 122 N -2.40 2.96 0.71 0.54 2.02 -1.26 -5.03 117.35 114.90 1iar s TYR 122 Ca 0.30 -0.06 -0.11 0.00 -0.37 0.00 0.00 57.07 56.83 1iar s TYR 122 Cb 0.18 -1.49 0.02 0.00 -0.40 0.00 0.00 41.96 40.27 1iar s TYR 122 CO 0.38 0.49 1.07 -1.25 -1.57 0.00 0.00 175.55 174.67 1iar s PRO 123 N -2.56 2.80 0.39 -1.71 0.04 -1.26 -4.92 135.00 127.79 1iar s PRO 123 Ca 0.27 0.77 0.16 0.00 0.04 0.00 0.00 61.00 62.24 1iar s PRO 123 Cb -0.11 -1.99 1.04 0.00 0.04 0.00 0.00 34.50 33.49 1iar s PRO 123 CO 0.19 -1.15 1.80 -1.35 0.04 0.00 0.00 177.00 176.53 1iar h PRO 124 N -0.75 0.44 -0.04 0.56 0.11 -1.99 -2.18 132.00 128.15 1iar h PRO 124 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1iar h PRO 124 Cb 1.23 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1iar h PRO 124 CO 0.59 0.29 0.00 -0.40 -0.21 0.00 0.00 178.00 178.27 1iar n ASP 125 N -4.60 0.95 -4.75 -2.05 5.75 -1.26 -4.86 116.55 105.73 1iar n ASP 125 Ca 0.23 -1.41 -0.40 0.00 -0.01 0.00 0.00 54.79 53.20 1iar n ASP 125 Cb 0.77 -0.02 -0.05 0.00 -1.03 0.00 0.00 41.12 40.79 1iar n ASP 125 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1iar s ASN 126 N -1.84 7.50 0.59 -1.12 3.84 -0.82 -4.93 114.94 118.16 1iar s ASN 126 Ca 0.38 2.03 0.29 0.00 0.21 0.00 0.00 52.86 55.77 1iar s ASN 126 Cb 0.19 -2.61 1.73 0.00 -0.55 0.00 0.00 41.25 40.01 1iar s ASN 126 CO 0.31 0.03 2.17 1.88 -2.79 0.00 0.00 177.10 178.70 1iar h TYR 127 N 4.26 0.00 0.04 0.43 0.05 -1.89 -2.53 116.97 117.32 1iar h TYR 127 Ca -0.45 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.08 1iar h TYR 127 Cb 1.20 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.95 1iar h TYR 127 CO 0.61 0.00 -1.04 -0.07 -1.05 0.00 0.00 178.16 176.61 1iar h LEU 128 N 0.00 0.56 -0.31 3.88 3.38 -1.91 -3.40 115.31 117.52 1iar h LEU 128 Ca 0.05 -0.49 0.04 0.00 0.09 0.00 0.00 57.88 57.57 1iar h LEU 128 Cb 0.26 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1iar h LEU 128 CO -0.00 1.30 -0.15 0.00 0.09 0.00 0.00 178.44 179.69 1iar n TYR 129 N -3.71 -0.06 1.30 1.13 9.36 -0.95 0.57 117.16 124.79 1iar n TYR 129 Ca -0.08 0.38 0.09 0.00 3.32 0.00 0.00 57.90 61.61 1iar n TYR 129 Cb 0.89 -0.57 0.33 0.00 -0.63 0.00 0.00 39.34 39.36 1iar n TYR 129 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1iar n ASN 130 N -4.42 1.38 -0.49 2.98 0.23 -1.26 -3.87 115.26 109.81 1iar n ASN 130 Ca 0.02 -1.75 0.06 0.00 -0.53 0.00 0.00 54.58 52.38 1iar n ASN 130 Cb 0.10 -0.11 0.07 0.00 -2.08 0.00 0.00 39.78 37.76 1iar n ASN 130 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1iar n HIS 131 N 0.16 0.08 -2.58 -2.53 8.25 0.19 -4.86 115.22 113.95 1iar n HIS 131 Ca 0.14 -0.09 -0.41 0.00 -0.26 0.00 0.00 57.72 57.10 1iar n HIS 131 Cb 0.27 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.33 1iar n HIS 131 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1iar s LEU 132 N -0.97 4.51 -0.09 2.41 1.43 -1.20 -3.97 118.68 120.81 1iar s LEU 132 Ca 0.15 2.03 0.04 0.00 -1.03 0.00 0.00 54.13 55.32 1iar s LEU 132 Cb 0.10 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.72 1iar s LEU 132 CO 0.15 -0.14 -0.24 -0.89 0.23 0.00 0.00 176.35 175.46 1iar s THR 133 N -0.37 2.02 0.01 5.49 2.01 -0.30 -0.94 115.64 123.56 1iar s THR 133 Ca 0.48 -1.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.46 1iar s THR 133 Cb -0.28 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1iar s THR 133 CO 0.34 0.55 0.14 -0.31 -0.69 0.00 0.00 174.62 174.65 1iar s TYR 134 N 0.30 3.41 -0.17 4.92 2.02 0.97 -1.80 117.35 127.00 1iar s TYR 134 Ca -0.17 0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.79 1iar s TYR 134 Cb -0.17 -1.77 0.04 0.00 -0.40 0.00 0.00 41.96 39.65 1iar s TYR 134 CO 0.08 0.59 -0.08 0.00 -1.57 0.00 0.00 175.55 174.57 1iar s ALA 135 N -1.29 1.73 -0.23 3.71 0.00 -0.29 -0.65 121.76 124.74 1iar s ALA 135 Ca 0.26 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 1iar s ALA 135 Cb -0.12 -1.17 -0.05 0.00 0.00 0.00 0.00 23.12 21.78 1iar s ALA 135 CO 0.18 -0.73 0.13 0.08 0.00 0.00 0.00 175.76 175.42 1iar s VAL 136 N 1.52 5.16 -0.17 0.00 1.01 -0.21 -1.46 120.40 126.26 1iar s VAL 136 Ca 0.01 0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.05 1iar s VAL 136 Cb -0.15 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1iar s VAL 136 CO -0.08 0.37 -0.01 0.21 0.00 0.00 0.00 175.10 175.59 1iar s ASN 137 N 0.93 5.01 0.06 3.32 3.04 0.15 -0.95 114.94 126.49 1iar s ASN 137 Ca 0.07 -0.09 0.08 0.00 0.04 0.00 0.00 52.86 52.95 1iar s ASN 137 Cb -0.13 -1.83 -0.03 0.00 -1.54 0.00 0.00 41.25 37.72 1iar s ASN 137 CO 0.03 0.16 -0.21 -0.63 -3.04 0.00 0.00 177.10 173.41 1iar s ILE 138 N 0.44 1.69 -0.18 -5.21 1.09 -0.54 -0.68 121.20 117.81 1iar s ILE 138 Ca -0.02 -1.28 -0.28 0.00 -1.10 0.00 0.00 60.65 57.97 1iar s ILE 138 Cb -0.14 -1.49 0.09 0.00 -1.06 0.00 0.00 42.46 39.86 1iar s ILE 138 CO 0.02 0.15 0.80 -1.66 -0.10 0.00 0.00 174.94 174.15 1iar s TRP 139 N -0.88 -0.63 -0.17 3.97 -2.14 -0.56 -1.48 118.94 117.06 1iar s TRP 139 Ca 0.07 1.32 -0.29 0.00 2.66 0.00 0.00 56.10 59.87 1iar s TRP 139 Cb -0.09 0.36 -0.03 0.00 -3.10 0.00 0.00 33.47 30.61 1iar s TRP 139 CO 0.02 -0.43 1.60 -1.54 -2.66 0.00 0.00 176.95 173.94 1iar s SER 140 N -0.42 6.51 0.20 -2.66 1.04 -1.16 -0.74 113.70 116.47 1iar s SER 140 Ca -0.04 1.81 -0.13 0.00 0.48 0.00 0.00 55.95 58.08 1iar s SER 140 Cb -0.03 -2.53 0.24 0.00 0.10 0.00 0.00 66.02 63.80 1iar s SER 140 CO 0.03 -1.12 1.66 -0.08 0.98 0.00 0.00 173.24 174.71 1iar h GLU 141 N 10.18 0.07 -4.68 4.02 4.81 -0.68 -2.94 114.58 125.35 1iar h GLU 141 Ca -0.35 -0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.28 1iar h GLU 141 Cb 1.16 -0.01 0.05 0.00 0.63 0.00 0.00 28.75 30.57 1iar h GLU 141 CO 0.98 0.04 1.98 0.09 -0.73 0.00 0.00 179.01 181.38 1iar n ASN 142 N -5.32 2.34 -1.33 1.04 3.02 -1.25 -4.21 115.26 109.55 1iar n ASN 142 Ca 0.07 -2.65 0.00 0.00 -0.03 0.00 0.00 54.58 51.97 1iar n ASN 142 Cb 0.32 -1.11 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 1iar n ASN 142 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1iar n ASP 143 N 8.74 -1.78 0.00 6.41 8.00 -1.19 -5.04 116.55 131.69 1iar n ASP 143 Ca 0.49 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.99 1iar n ASP 143 Cb 0.42 -0.89 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 1iar n ASP 143 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1iar n PRO 144 N 0.11 0.00 0.00 -0.24 -0.04 -1.12 -4.52 135.00 129.20 1iar n PRO 144 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1iar n PRO 144 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1iar n PRO 144 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1iar n ALA 145 N -3.00 0.00 -3.60 0.55 0.00 -1.26 -4.70 120.51 108.49 1iar n ALA 145 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1iar n ALA 145 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1iar n ALA 145 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1iar s ASP 146 N -0.47 5.63 0.24 0.00 2.15 -1.26 -5.03 116.67 117.93 1iar s ASP 146 Ca 0.00 -2.14 0.01 0.00 0.43 0.00 0.00 52.55 50.85 1iar s ASP 146 Cb 0.00 -1.97 -0.04 0.00 -0.30 0.00 0.00 42.92 40.61 1iar s ASP 146 CO 0.00 -0.61 0.16 0.72 -0.17 0.00 0.00 175.17 175.27 1iar s PHE 147 N 1.01 1.35 0.01 -5.34 -0.71 -1.26 -3.00 117.98 110.04 1iar s PHE 147 Ca 0.09 -1.43 -0.05 0.00 -1.04 0.00 0.00 56.93 54.50 1iar s PHE 147 Cb -0.23 -0.64 -0.01 0.00 -1.21 0.00 0.00 43.02 40.93 1iar s PHE 147 CO -0.02 -0.66 0.09 1.03 -1.34 0.00 0.00 175.22 174.31 1iar s ARG 148 N -3.97 0.43 -0.11 1.99 0.52 -0.55 -5.00 118.95 112.26 1iar s ARG 148 Ca 0.39 -0.47 0.02 0.00 -0.52 0.00 0.00 55.73 55.15 1iar s ARG 148 Cb 0.06 0.17 0.01 0.00 0.52 0.00 0.00 34.95 35.72 1iar s ARG 148 CO 0.16 -0.10 -0.16 0.42 0.02 0.00 0.00 175.30 175.65 1iar s ILE 149 N -1.41 1.53 -0.19 1.52 1.01 -1.26 -1.47 121.20 120.93 1iar s ILE 149 Ca -0.15 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.82 1iar s ILE 149 Cb -0.08 -1.39 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 1iar s ILE 149 CO 0.01 0.45 -0.08 -0.31 0.00 0.00 0.00 174.94 175.01 1iar s TYR 150 N 0.97 2.91 -0.11 3.97 1.51 -0.12 -4.93 117.35 121.55 1iar s TYR 150 Ca -0.07 -0.86 -0.20 0.00 -1.01 0.00 0.00 57.07 54.93 1iar s TYR 150 Cb -0.15 -2.01 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 1iar s TYR 150 CO -0.02 -0.44 0.56 -0.80 -1.11 0.00 0.00 175.55 173.75 1iar s ASN 151 N 1.07 6.78 0.01 2.29 0.01 -1.26 -1.04 114.94 122.80 1iar s ASN 151 Ca 0.00 0.93 0.08 0.00 -0.71 0.00 0.00 52.86 53.17 1iar s ASN 151 Cb -0.15 -2.33 -0.02 0.00 0.41 0.00 0.00 41.25 39.16 1iar s ASN 151 CO -0.01 -0.06 -0.24 -0.69 -1.51 0.00 0.00 177.10 174.59 1iar s VAL 152 N 0.78 1.94 0.78 1.60 1.01 0.17 -4.98 120.40 121.70 1iar s VAL 152 Ca 0.30 -1.18 -0.10 0.00 0.00 0.00 0.00 61.98 61.00 1iar s VAL 152 Cb -0.16 -1.64 0.08 0.00 0.00 0.00 0.00 36.38 34.67 1iar s VAL 152 CO 0.13 0.42 1.12 0.42 0.00 0.00 0.00 175.10 177.19 1iar s THR 153 N -0.68 2.11 0.24 3.92 -4.23 -1.26 -0.02 115.64 115.71 1iar s THR 153 Ca 0.10 -0.12 -0.05 0.00 -1.18 0.00 0.00 61.69 60.44 1iar s THR 153 Cb -0.09 -2.99 0.20 0.00 1.34 0.00 0.00 72.50 70.96 1iar s THR 153 CO 0.01 0.00 1.76 0.10 -0.54 0.00 0.00 174.62 175.94 1iar h TYR 154 N -0.91 0.61 -0.65 3.99 -0.00 -1.37 -3.35 116.97 115.29 1iar h TYR 154 Ca -0.45 0.03 0.10 0.00 -0.00 0.00 0.00 58.73 58.41 1iar h TYR 154 Cb 1.32 -0.16 -0.12 0.00 -0.00 0.00 0.00 36.73 37.77 1iar h TYR 154 CO 0.19 0.16 -0.40 1.25 -0.00 0.00 0.00 178.16 179.36 1iar h LEU 155 N 0.55 -1.40 -7.65 0.10 5.85 -1.91 -3.39 115.31 107.45 1iar h LEU 155 Ca 0.39 0.25 -0.57 0.00 0.84 0.00 0.00 57.88 58.79 1iar h LEU 155 Cb 0.51 0.67 -0.38 0.00 0.37 0.00 0.00 40.66 41.83 1iar h LEU 155 CO -0.33 -0.32 -0.80 -0.70 -0.34 0.00 0.00 178.44 175.96 1iar s GLU 156 N -5.89 1.57 -1.37 1.25 2.56 -1.26 -5.05 118.70 110.51 1iar s GLU 156 Ca -0.14 -0.61 -0.14 0.00 0.00 0.00 0.00 54.97 54.08 1iar s GLU 156 Cb 0.15 -2.13 0.08 0.00 2.00 0.00 0.00 34.13 34.23 1iar s GLU 156 CO 0.68 -0.44 2.00 -0.35 -0.56 0.00 0.00 175.26 176.58 1iar n PRO 157 N 4.82 3.13 -3.68 4.30 -0.04 -1.26 -4.78 135.00 137.49 1iar n PRO 157 Ca -0.12 -3.03 -0.10 0.00 -0.04 0.00 0.00 63.50 60.21 1iar n PRO 157 Cb 0.47 -3.23 -0.03 0.00 -0.04 0.00 0.00 33.50 30.67 1iar n PRO 157 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1iar s SER 158 N 2.85 -0.34 -0.22 3.54 1.04 -1.26 -2.31 113.70 116.99 1iar s SER 158 Ca 0.46 -0.39 -0.06 0.00 0.48 0.00 0.00 55.95 56.44 1iar s SER 158 Cb 0.10 0.62 0.11 0.00 0.10 0.00 0.00 66.02 66.95 1iar s SER 158 CO -0.03 -1.11 0.45 -0.22 0.98 0.00 0.00 173.24 173.31 1iar s LEU 159 N -2.85 -0.73 -0.28 2.42 2.96 0.01 -4.96 118.68 115.24 1iar s LEU 159 Ca 0.08 0.93 -0.12 0.00 -0.22 0.00 0.00 54.13 54.79 1iar s LEU 159 Cb -0.02 1.46 -0.04 0.00 0.50 0.00 0.00 46.19 48.08 1iar s LEU 159 CO -0.03 -0.24 0.25 -0.13 -1.32 0.00 0.00 176.35 174.88 1iar s ARG 160 N 2.65 3.92 -0.04 1.98 0.52 -1.26 -0.77 118.95 125.95 1iar s ARG 160 Ca 0.01 -0.25 0.05 0.00 -0.52 0.00 0.00 55.73 55.03 1iar s ARG 160 Cb -0.13 -3.67 -0.02 0.00 0.52 0.00 0.00 34.95 31.65 1iar s ARG 160 CO -0.14 -0.24 -0.19 0.42 0.02 0.00 0.00 175.30 175.17 1iar s ILE 161 N 1.85 2.63 -0.01 1.52 1.01 0.20 -4.93 121.20 123.47 1iar s ILE 161 Ca 0.09 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 1iar s ILE 161 Cb -0.16 -1.99 -0.00 0.00 0.01 0.00 0.00 42.46 40.32 1iar s ILE 161 CO 0.11 0.59 -0.03 0.00 0.00 0.00 0.00 174.94 175.61 1iar n ALA 162 N 2.38 1.33 0.00 9.38 0.00 -1.26 -0.92 120.51 131.41 1iar n ALA 162 Ca -0.17 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1iar n ALA 162 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1iar n ALA 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iar n ALA 163 N -2.70 0.00 1.70 0.00 0.00 -1.26 -4.88 120.51 113.37 1iar n ALA 163 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1iar n ALA 163 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1iar n ALA 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iar n GLY 169 N 0.00 -0.71 3.93 0.00 0.00 -1.26 -5.24 105.19 101.90 1iar n GLY 169 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1iar n GLY 169 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iar s ILE 170 N -1.92 2.13 -0.07 -0.61 1.01 -1.26 -5.08 121.20 115.40 1iar s ILE 170 Ca 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.51 1iar s ILE 170 Cb 0.00 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 1iar s ILE 170 CO 0.00 0.00 -0.17 -0.94 0.00 0.00 0.00 174.94 173.83 1iar s SER 171 N -4.63 3.78 0.25 3.58 1.04 -1.26 -4.60 113.70 111.85 1iar s SER 171 Ca 0.64 -0.31 0.10 0.00 0.48 0.00 0.00 55.95 56.86 1iar s SER 171 Cb -0.09 -1.01 -0.04 0.00 0.10 0.00 0.00 66.02 64.98 1iar s SER 171 CO 0.47 0.28 -0.06 -0.31 0.98 0.00 0.00 173.24 174.61 1iar s TYR 172 N -0.34 2.62 0.17 5.02 1.51 0.07 0.04 117.35 126.43 1iar s TYR 172 Ca 0.03 -0.24 0.11 0.00 -1.01 0.00 0.00 57.07 55.96 1iar s TYR 172 Cb -0.13 -1.18 -0.04 0.00 -0.11 0.00 0.00 41.96 40.50 1iar s TYR 172 CO 0.02 0.61 -0.24 1.03 -1.11 0.00 0.00 175.55 175.86 1iar s ARG 173 N -3.44 1.44 0.01 -0.62 0.52 0.08 -1.98 118.95 114.95 1iar s ARG 173 Ca 0.30 -1.44 0.00 0.00 -0.52 0.00 0.00 55.73 54.06 1iar s ARG 173 Cb -0.07 -1.78 -0.01 0.00 0.52 0.00 0.00 34.95 33.62 1iar s ARG 173 CO 0.18 0.39 -0.01 0.00 0.02 0.00 0.00 175.30 175.89 1iar s ALA 174 N -1.51 0.04 0.13 2.13 0.00 -0.03 -1.49 121.76 121.02 1iar s ALA 174 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1iar s ALA 174 Cb -0.08 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1iar s ALA 174 CO 0.08 -0.04 0.01 1.03 0.00 0.00 0.00 175.76 176.84 1iar s ARG 175 N -0.37 0.93 -0.06 0.00 0.52 0.14 -1.17 118.95 118.93 1iar s ARG 175 Ca -0.04 -1.43 -0.04 0.00 -0.52 0.00 0.00 55.73 53.70 1iar s ARG 175 Cb -0.03 0.02 0.02 0.00 0.52 0.00 0.00 34.95 35.49 1iar s ARG 175 CO -0.00 -0.17 0.14 0.54 0.02 0.00 0.00 175.30 175.83 1iar s VAL 176 N -3.86 -0.01 0.36 3.52 0.11 -1.26 0.31 120.40 119.57 1iar s VAL 176 Ca 0.20 0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.33 1iar s VAL 176 Cb 0.07 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.67 1iar s VAL 176 CO -0.00 0.02 0.14 0.00 -3.33 0.00 0.00 175.10 171.92 1iar s ARG 177 N 0.35 1.79 0.07 1.54 1.70 -0.54 -1.08 118.95 122.79 1iar s ARG 177 Ca -0.02 -2.06 -0.17 0.00 -0.47 0.00 0.00 55.73 53.01 1iar s ARG 177 Cb -0.04 -0.45 0.03 0.00 -0.57 0.00 0.00 34.95 33.92 1iar s ARG 177 CO -0.01 -0.44 0.39 0.00 -1.08 0.00 0.00 175.30 174.16 1iar s ALA 178 N -3.35 -0.94 0.22 7.88 0.00 -1.26 -1.14 121.76 123.18 1iar s ALA 178 Ca 0.30 0.14 -0.06 0.00 0.00 0.00 0.00 51.96 52.34 1iar s ALA 178 Cb 0.04 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 23.61 1iar s ALA 178 CO 0.16 -0.52 0.27 1.67 0.00 0.00 0.00 175.76 177.34 1iar s TRP 179 N -2.99 0.85 -0.35 0.00 1.48 -0.75 -1.18 118.94 116.00 1iar s TRP 179 Ca -0.02 -1.12 0.01 0.00 -1.06 0.00 0.00 56.10 53.90 1iar s TRP 179 Cb 0.00 -0.26 0.11 0.00 -1.16 0.00 0.00 33.47 32.16 1iar s TRP 179 CO -0.06 -0.78 0.14 0.00 -4.06 0.00 0.00 176.95 172.18 1iar s ALA 180 N -4.10 1.86 0.22 2.67 0.00 -1.26 -1.15 121.76 120.01 1iar s ALA 180 Ca 0.32 -2.05 -0.12 0.00 0.00 0.00 0.00 51.96 50.12 1iar s ALA 180 Cb 0.04 -1.74 0.29 0.00 0.00 0.00 0.00 23.12 21.71 1iar s ALA 180 CO 0.11 -1.80 1.62 0.37 0.00 0.00 0.00 175.76 176.06 1iar h GLN 181 N 7.61 0.01 -0.22 0.00 4.15 -1.91 -1.53 115.11 123.22 1iar h GLN 181 Ca -0.09 -0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.39 1iar h GLN 181 Cb 0.99 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 1iar h GLN 181 CO 0.48 0.01 0.15 0.00 -1.93 0.00 0.00 178.83 177.54 1iar h ALA 182 N 1.69 2.13 -0.42 3.38 0.00 -1.96 0.68 119.26 124.77 1iar h ALA 182 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1iar h ALA 182 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1iar h ALA 182 CO -0.70 -0.19 0.00 0.66 0.00 0.00 0.00 179.25 179.02 1iar n TYR 183 N -4.48 0.54 -3.82 0.00 4.02 -0.61 -4.96 117.16 107.85 1iar n TYR 183 Ca 0.02 -0.27 -0.24 0.00 -0.01 0.00 0.00 57.90 57.40 1iar n TYR 183 Cb 0.26 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.59 1iar n TYR 183 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1iar n ASN 184 N 1.15 -1.08 -4.94 7.72 2.85 0.23 -4.78 115.26 116.42 1iar n ASN 184 Ca 0.19 -0.93 -0.25 0.00 -0.11 0.00 0.00 54.58 53.48 1iar n ASN 184 Cb 0.51 -3.50 0.04 0.00 1.24 0.00 0.00 39.78 38.07 1iar n ASN 184 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1iar s THR 185 N -3.80 3.20 0.83 -0.44 -4.23 -1.13 -4.85 115.64 105.22 1iar s THR 185 Ca 0.04 -0.26 -0.07 0.00 -1.18 0.00 0.00 61.69 60.22 1iar s THR 185 Cb -0.01 -3.27 0.17 0.00 1.34 0.00 0.00 72.50 70.73 1iar s THR 185 CO 0.85 -0.25 1.14 0.42 -0.54 0.00 0.00 174.62 176.25 1iar s THR 186 N -2.94 2.05 0.45 3.99 -4.23 -1.11 -4.72 115.64 109.13 1iar s THR 186 Ca 0.55 -0.36 -0.20 0.00 -1.18 0.00 0.00 61.69 60.50 1iar s THR 186 Cb -0.10 -2.69 -0.10 0.00 1.34 0.00 0.00 72.50 70.95 1iar s THR 186 CO 0.43 0.00 0.97 0.26 -0.54 0.00 0.00 174.62 175.73 1iar s TRP 187 N -3.48 3.30 0.93 3.99 0.52 -1.26 -4.34 118.94 118.60 1iar s TRP 187 Ca 0.70 1.58 -0.14 0.00 0.02 0.00 0.00 56.10 58.26 1iar s TRP 187 Cb -0.04 -2.87 0.16 0.00 -1.15 0.00 0.00 33.47 29.57 1iar s TRP 187 CO 0.48 -0.25 1.19 -1.54 0.02 0.00 0.00 176.95 176.85 1iar s SER 188 N -2.33 3.34 0.83 2.95 1.04 -0.32 -4.64 113.70 114.57 1iar s SER 188 Ca 0.62 0.70 -0.11 0.00 0.48 0.00 0.00 55.95 57.64 1iar s SER 188 Cb -0.10 -1.08 0.09 0.00 0.10 0.00 0.00 66.02 65.03 1iar s SER 188 CO 0.17 -2.63 1.09 -1.61 0.98 0.00 0.00 173.24 171.25 1iar s GLU 189 N -5.52 1.78 0.51 4.02 0.41 -1.26 -4.65 118.70 113.99 1iar s GLU 189 Ca 0.67 0.74 -0.19 0.00 -0.41 0.00 0.00 54.97 55.78 1iar s GLU 189 Cb -0.10 -1.88 -0.07 0.00 -1.78 0.00 0.00 34.13 30.30 1iar s GLU 189 CO 0.53 -1.86 1.02 -1.58 -0.49 0.00 0.00 175.26 172.88 1iar s TRP 190 N -3.06 3.10 0.82 1.61 0.52 -1.26 -4.60 118.94 116.07 1iar s TRP 190 Ca 0.62 1.55 -0.12 0.00 0.02 0.00 0.00 56.10 58.17 1iar s TRP 190 Cb -0.16 -2.98 0.09 0.00 -1.15 0.00 0.00 33.47 29.27 1iar s TRP 190 CO 0.55 -0.75 1.13 -1.54 0.02 0.00 0.00 176.95 176.36 1iar s SER 191 N -2.39 4.32 0.58 2.95 1.04 -0.24 -4.94 113.70 115.02 1iar s SER 191 Ca 0.64 1.06 -0.20 0.00 0.48 0.00 0.00 55.95 57.94 1iar s SER 191 Cb -0.14 -1.71 -0.04 0.00 0.10 0.00 0.00 66.02 64.24 1iar s SER 191 CO 0.25 -2.05 1.28 -2.84 0.98 0.00 0.00 173.24 170.86 1iar s PRO 192 N -5.31 2.98 0.18 4.02 0.02 -1.26 -4.58 135.00 131.05 1iar s PRO 192 Ca 0.62 2.03 -0.06 0.00 0.02 0.00 0.00 61.00 63.61 1iar s PRO 192 Cb -0.13 -2.06 -0.06 0.00 0.02 0.00 0.00 34.50 32.27 1iar s PRO 192 CO 0.52 -1.25 0.44 -1.54 -0.33 0.00 0.00 177.00 174.84 1iar s SER 193 N -1.30 6.52 0.48 2.53 1.04 -1.26 -4.76 113.70 116.95 1iar s SER 193 Ca 0.76 0.68 0.02 0.00 0.48 0.00 0.00 55.95 57.89 1iar s SER 193 Cb -0.36 -2.13 -0.03 0.00 0.10 0.00 0.00 66.02 63.61 1iar s SER 193 CO 0.40 -0.01 0.02 0.28 0.98 0.00 0.00 173.24 174.91 1iar s THR 194 N -1.75 1.25 0.13 2.02 -1.32 -0.32 -4.92 115.64 110.74 1iar s THR 194 Ca 0.43 -2.00 -0.17 0.00 -1.21 0.00 0.00 61.69 58.74 1iar s THR 194 Cb -0.12 -2.33 0.04 0.00 -1.51 0.00 0.00 72.50 68.59 1iar s THR 194 CO 0.24 0.00 0.43 -1.59 -2.21 0.00 0.00 174.62 171.50 1iar s LYS 195 N -3.84 1.11 0.20 7.08 -2.85 -1.26 -0.85 119.74 119.34 1iar s LYS 195 Ca 0.13 -0.68 -0.12 0.00 -1.00 0.00 0.00 55.97 54.29 1iar s LYS 195 Cb 0.03 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.29 1iar s LYS 195 CO 0.07 -0.45 0.40 1.67 0.10 0.00 0.00 175.35 177.14 1iar s TRP 196 N -3.80 0.27 -2.10 1.78 -2.14 -0.84 -4.97 118.94 107.15 1iar s TRP 196 Ca 0.03 -0.63 0.17 0.00 2.66 0.00 0.00 56.10 58.33 1iar s TRP 196 Cb 0.01 0.13 0.13 0.00 -3.10 0.00 0.00 33.47 30.64 1iar s TRP 196 CO -0.12 -0.86 1.03 1.58 -2.66 0.00 0.00 176.95 175.93