#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ig3 s SER 11 N 0.00 6.54 0.34 0.41 1.04 -1.26 -5.08 113.70 115.69 1ig3 s SER 11 Ca 0.00 1.29 0.06 0.00 0.48 0.00 0.00 55.95 57.78 1ig3 s SER 11 Cb 0.00 -2.39 -0.07 0.00 0.10 0.00 0.00 66.02 63.66 1ig3 s SER 11 CO 0.00 -0.48 -0.01 -0.94 0.98 0.00 0.00 173.24 172.79 1ig3 s SER 12 N -3.17 3.02 0.00 7.02 1.04 -1.26 -5.08 113.70 115.27 1ig3 s SER 12 Ca 0.54 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1ig3 s SER 12 Cb -0.10 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.80 1ig3 s SER 12 CO 0.32 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1ig3 n GLY 13 N -0.74 -1.99 3.70 7.32 0.00 -1.26 -4.84 105.19 107.39 1ig3 n GLY 13 Ca -0.04 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 1ig3 n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ig3 s LEU 14 N 0.00 4.36 0.04 0.99 1.43 -1.26 -5.01 118.68 119.22 1ig3 s LEU 14 Ca 0.00 2.35 0.05 0.00 -1.03 0.00 0.00 54.13 55.49 1ig3 s LEU 14 Cb 0.00 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.62 1ig3 s LEU 14 CO 0.00 -0.74 -0.13 0.68 0.23 0.00 0.00 176.35 176.39 1ig3 s VAL 15 N 1.70 1.04 0.28 -1.59 -7.23 -1.26 -5.14 120.40 108.21 1ig3 s VAL 15 Ca 0.67 -1.00 -0.27 0.00 -1.81 0.00 0.00 61.98 59.56 1ig3 s VAL 15 Cb -0.37 -0.96 -0.09 0.00 0.56 0.00 0.00 36.38 35.52 1ig3 s VAL 15 CO 0.30 -0.04 0.93 -2.16 -0.31 0.00 0.00 175.10 173.82 1ig3 s PRO 16 N -1.18 4.69 0.06 4.82 0.04 -1.26 -5.06 135.00 137.12 1ig3 s PRO 16 Ca 0.00 1.37 -0.10 0.00 0.04 0.00 0.00 61.00 62.32 1ig3 s PRO 16 Cb -0.08 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1ig3 s PRO 16 CO 0.01 0.39 0.21 1.03 0.04 0.00 0.00 177.00 178.69 1ig3 s ARG 17 N -1.66 0.78 -1.08 4.56 1.81 -1.26 -4.95 118.95 117.16 1ig3 s ARG 17 Ca 0.46 -0.76 0.00 0.00 -1.72 0.00 0.00 55.73 53.70 1ig3 s ARG 17 Cb -0.22 0.32 0.00 0.00 -0.45 0.00 0.00 34.95 34.61 1ig3 s ARG 17 CO 0.27 -0.24 0.00 0.41 -0.68 0.00 0.00 175.30 175.06 1ig3 n GLY 18 N 0.31 0.79 3.94 -3.53 0.00 -1.26 -5.03 105.19 100.41 1ig3 n GLY 18 Ca -0.17 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 1ig3 n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ig3 s SER 19 N -2.76 6.20 0.15 1.61 1.04 -1.26 -5.10 113.70 113.58 1ig3 s SER 19 Ca 0.00 0.52 -0.01 0.00 0.48 0.00 0.00 55.95 56.95 1ig3 s SER 19 Cb 0.00 -1.99 -0.04 0.00 0.10 0.00 0.00 66.02 64.09 1ig3 s SER 19 CO 0.00 -0.43 0.07 -1.38 0.98 0.00 0.00 173.24 172.48 1ig3 s HIS 20 N -2.45 0.97 0.05 5.02 -3.43 -1.26 -5.16 115.29 109.03 1ig3 s HIS 20 Ca 0.43 -1.24 -0.09 0.00 -0.80 0.00 0.00 55.06 53.36 1ig3 s HIS 20 Cb -0.10 -0.53 -0.05 0.00 -1.43 0.00 0.00 32.58 30.47 1ig3 s HIS 20 CO 0.38 -0.51 0.35 -1.64 -2.00 0.00 0.00 174.74 171.32 1ig3 s MET 21 N -4.06 3.69 0.04 -0.38 -1.94 -1.26 -5.10 119.30 110.30 1ig3 s MET 21 Ca 0.27 0.08 0.02 0.00 -1.71 0.00 0.00 55.69 54.35 1ig3 s MET 21 Cb 0.07 -3.04 -0.02 0.00 2.01 0.00 0.00 34.83 33.85 1ig3 s MET 21 CO 0.04 0.60 -0.07 -1.21 -0.01 0.00 0.00 175.02 174.38 1ig3 s GLU 22 N -1.81 0.50 -0.40 2.03 2.02 -1.26 -4.67 118.70 115.11 1ig3 s GLU 22 Ca 0.30 -0.77 -0.17 0.00 0.02 0.00 0.00 54.97 54.35 1ig3 s GLU 22 Cb -0.14 -0.20 0.01 0.00 0.10 0.00 0.00 34.13 33.91 1ig3 s GLU 22 CO 0.17 0.02 0.46 -1.58 0.02 0.00 0.00 175.26 174.35 1ig3 s HIS 23 N -1.58 3.17 0.09 1.61 5.65 0.32 -4.92 115.29 119.63 1ig3 s HIS 23 Ca -0.10 -0.20 -0.18 0.00 0.25 0.00 0.00 55.06 54.84 1ig3 s HIS 23 Cb -0.09 -2.91 -0.07 0.00 -1.18 0.00 0.00 32.58 28.33 1ig3 s HIS 23 CO -0.00 -0.65 0.56 0.00 -0.65 0.00 0.00 174.74 174.00 1ig3 s ALA 24 N 2.24 3.59 -0.18 1.58 0.00 -1.26 -0.75 121.76 126.96 1ig3 s ALA 24 Ca 0.14 -0.01 -0.28 0.00 0.00 0.00 0.00 51.96 51.81 1ig3 s ALA 24 Cb -0.16 -2.60 0.08 0.00 0.00 0.00 0.00 23.12 20.43 1ig3 s ALA 24 CO 0.14 0.41 0.74 0.12 0.00 0.00 0.00 175.76 177.18 1ig3 s PHE 25 N -1.21 -0.70 -0.45 0.00 5.99 -0.28 -4.94 117.98 116.39 1ig3 s PHE 25 Ca 0.31 1.51 0.03 0.00 0.00 0.00 0.00 56.93 58.78 1ig3 s PHE 25 Cb -0.18 0.34 0.12 0.00 0.00 0.00 0.00 43.02 43.30 1ig3 s PHE 25 CO 0.19 -0.45 0.18 0.99 -0.00 0.00 0.00 175.22 176.13 1ig3 s THR 26 N -0.29 2.56 0.24 0.12 2.01 -1.26 -0.46 115.64 118.55 1ig3 s THR 26 Ca -0.04 -2.87 -0.06 0.00 0.31 0.00 0.00 61.69 59.03 1ig3 s THR 26 Cb -0.03 -2.81 0.25 0.00 0.01 0.00 0.00 72.50 69.92 1ig3 s THR 26 CO 0.04 -0.72 1.66 -0.65 -0.69 0.00 0.00 174.62 174.25 1ig3 h PRO 27 N 7.03 0.16 -0.64 4.92 0.11 -1.96 -2.57 132.00 139.05 1ig3 h PRO 27 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1ig3 h PRO 27 Cb 0.95 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1ig3 h PRO 27 CO 0.62 0.10 0.00 1.28 -0.21 0.00 0.00 178.00 179.80 1ig3 n LEU 28 N -5.27 3.97 -0.35 2.35 4.77 -1.26 -4.48 117.00 116.72 1ig3 n LEU 28 Ca 0.13 -2.00 0.02 0.00 -0.03 0.00 0.00 56.01 54.13 1ig3 n LEU 28 Cb 0.46 -0.54 0.18 0.00 -2.33 0.00 0.00 43.42 41.19 1ig3 n LEU 28 CO 0.08 0.62 1.27 -0.08 -1.33 0.00 0.00 177.39 177.96 1ig3 h GLU 29 N 3.14 1.15 -0.06 3.23 4.81 -1.83 -1.95 114.58 123.08 1ig3 h GLU 29 Ca 0.00 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1ig3 h GLU 29 Cb 1.28 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 30.39 1ig3 h GLU 29 CO 0.22 0.76 0.10 -1.35 -0.73 0.00 0.00 179.01 178.01 1ig3 h PRO 30 N 1.18 0.00 -0.00 0.92 0.11 -1.83 -0.96 132.00 131.42 1ig3 h PRO 30 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1ig3 h PRO 30 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1ig3 h PRO 30 CO -0.14 0.00 -0.05 1.28 -0.21 0.00 0.00 178.00 178.88 1ig3 n LEU 31 N -3.51 0.14 -4.78 2.35 4.77 -0.73 -4.82 117.00 110.41 1ig3 n LEU 31 Ca -0.01 0.22 -0.37 0.00 -0.03 0.00 0.00 56.01 55.82 1ig3 n LEU 31 Cb 0.19 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 1ig3 n LEU 31 CO 0.24 0.03 0.68 -0.76 -1.33 0.00 0.00 177.39 176.25 1ig3 s LEU 32 N -2.60 4.29 0.13 2.23 1.43 -0.37 -4.98 118.68 118.82 1ig3 s LEU 32 Ca 0.27 1.91 -0.18 0.00 -1.03 0.00 0.00 54.13 55.10 1ig3 s LEU 32 Cb 0.20 -4.04 -0.03 0.00 0.03 0.00 0.00 46.19 42.35 1ig3 s LEU 32 CO 0.48 -0.19 1.76 -0.65 0.23 0.00 0.00 176.35 177.99 1ig3 h PRO 33 N 3.02 0.42 -6.31 1.29 0.11 -1.89 -3.45 132.00 125.19 1ig3 h PRO 33 Ca -0.47 -0.04 -0.51 0.00 0.11 0.00 0.00 66.00 65.09 1ig3 h PRO 33 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1ig3 h PRO 33 CO 0.64 0.32 -0.23 0.95 -0.21 0.00 0.00 178.00 179.47 1ig3 s THR 34 N -6.01 2.20 0.00 -1.15 -4.23 -1.26 -5.08 115.64 100.11 1ig3 s THR 34 Ca -0.13 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 1ig3 s THR 34 Cb 0.09 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.52 1ig3 s THR 34 CO 0.71 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.40 1ig3 n GLY 35 N -1.92 2.71 2.30 3.99 0.00 -1.26 -4.92 105.19 106.10 1ig3 n GLY 35 Ca 0.07 -2.11 -0.17 0.00 0.00 0.00 0.00 46.02 43.82 1ig3 n GLY 35 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ig3 n ASN 36 N 0.00 3.84 -4.74 1.61 3.02 -1.26 -5.07 115.26 112.65 1ig3 n ASN 36 Ca 0.00 -3.20 -0.41 0.00 -0.03 0.00 0.00 54.58 50.93 1ig3 n ASN 36 Cb 0.00 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 38.75 1ig3 n ASN 36 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1ig3 s LEU 37 N -3.65 4.41 -0.37 3.41 2.96 -1.26 -4.99 118.68 119.19 1ig3 s LEU 37 Ca 0.43 2.51 -0.16 0.00 -0.22 0.00 0.00 54.13 56.69 1ig3 s LEU 37 Cb 0.38 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.46 1ig3 s LEU 37 CO 0.01 -0.57 0.39 -0.54 -1.32 0.00 0.00 176.35 174.32 1ig3 s LYS 38 N -0.41 3.39 0.10 1.98 -0.14 -1.26 -4.97 119.74 118.43 1ig3 s LYS 38 Ca 0.56 -0.54 -0.13 0.00 -1.36 0.00 0.00 55.97 54.51 1ig3 s LYS 38 Cb -0.38 -3.86 0.02 0.00 -1.68 0.00 0.00 37.83 31.92 1ig3 s LYS 38 CO 0.41 -0.65 0.30 1.52 -0.76 0.00 0.00 175.35 176.17 1ig3 s TYR 39 N 2.07 -0.04 0.26 3.18 -0.85 -1.26 0.08 117.35 120.80 1ig3 s TYR 39 Ca 0.12 -0.32 0.08 0.00 -0.52 0.00 0.00 57.07 56.44 1ig3 s TYR 39 Cb -0.17 0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.24 1ig3 s TYR 39 CO 0.12 -0.61 0.09 0.00 -1.52 0.00 0.00 175.55 173.63 1ig3 s LEU 41 N -3.76 1.82 -0.14 0.00 2.96 0.97 -1.08 118.68 119.46 1ig3 s LEU 41 Ca 0.32 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1ig3 s LEU 41 Cb -0.07 -1.04 0.01 0.00 0.50 0.00 0.00 46.19 45.58 1ig3 s LEU 41 CO 0.22 0.09 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.44 1ig3 s VAL 42 N 0.51 2.18 -0.29 1.68 1.01 -0.08 -0.59 120.40 124.82 1ig3 s VAL 42 Ca -0.16 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 60.80 1ig3 s VAL 42 Cb -0.16 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.33 1ig3 s VAL 42 CO 0.06 0.54 0.10 -0.69 0.00 0.00 0.00 175.10 175.11 1ig3 s VAL 43 N 0.77 4.25 0.66 2.92 1.01 0.43 -0.33 120.40 130.11 1ig3 s VAL 43 Ca -0.08 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1ig3 s VAL 43 Cb -0.16 -3.14 0.10 0.00 0.00 0.00 0.00 36.38 33.19 1ig3 s VAL 43 CO -0.01 0.13 0.92 -0.76 0.00 0.00 0.00 175.10 175.39 1ig3 s LEU 44 N 1.56 3.06 -1.41 3.92 1.43 -0.07 -0.56 118.68 126.61 1ig3 s LEU 44 Ca 0.04 -0.39 -0.15 0.00 -1.03 0.00 0.00 54.13 52.60 1ig3 s LEU 44 Cb -0.17 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.01 1ig3 s LEU 44 CO 0.04 -1.65 2.19 -3.20 0.23 0.00 0.00 176.35 173.97 1ig3 n ASN 45 N -2.64 3.81 -3.83 2.29 5.15 -1.26 -3.97 115.26 114.81 1ig3 n ASN 45 Ca 0.14 -2.83 -0.10 0.00 -0.60 0.00 0.00 54.58 51.19 1ig3 n ASN 45 Cb 0.61 -1.63 -0.08 0.00 -0.53 0.00 0.00 39.78 38.15 1ig3 n ASN 45 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1ig3 s GLN 46 N 3.36 0.74 0.28 1.20 -1.52 -1.26 -4.88 119.66 117.58 1ig3 s GLN 46 Ca 0.48 -0.67 -0.30 0.00 -1.95 0.00 0.00 55.36 52.92 1ig3 s GLN 46 Cb 0.14 0.31 -0.13 0.00 -0.22 0.00 0.00 33.01 33.11 1ig3 s GLN 46 CO -0.07 -0.22 1.44 -2.30 -0.25 0.00 0.00 175.29 173.88 1ig3 n PRO 47 N 0.52 2.25 -2.66 2.91 -0.02 -1.26 -4.87 135.00 131.86 1ig3 n PRO 47 Ca -0.18 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.69 1ig3 n PRO 47 Cb 0.60 -2.48 -0.05 0.00 -0.02 0.00 0.00 33.50 31.55 1ig3 n PRO 47 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ig3 s LEU 48 N -0.31 4.54 0.49 2.45 1.43 -1.26 -4.90 118.68 121.12 1ig3 s LEU 48 Ca 0.64 1.94 -0.15 0.00 -1.03 0.00 0.00 54.13 55.53 1ig3 s LEU 48 Cb -0.59 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 41.96 1ig3 s LEU 48 CO 0.52 -0.05 0.93 -1.81 0.23 0.00 0.00 176.35 176.17 1ig3 s ASP 49 N -0.39 6.58 0.45 2.29 1.01 -1.26 -4.96 116.67 120.39 1ig3 s ASP 49 Ca 0.46 1.45 0.18 0.00 0.71 0.00 0.00 52.55 55.34 1ig3 s ASP 49 Cb -0.26 -2.46 1.12 0.00 1.01 0.00 0.00 42.92 42.33 1ig3 s ASP 49 CO 0.32 -0.54 1.93 0.00 0.21 0.00 0.00 175.17 177.09 1ig3 h ALA 50 N 0.97 2.19 0.00 5.23 0.00 -1.99 -1.72 119.26 123.94 1ig3 h ALA 50 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ig3 h ALA 50 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ig3 h ALA 50 CO 0.62 -0.39 0.00 2.89 0.00 0.00 0.00 179.25 182.37 1ig3 n ARG 51 N -4.46 0.04 0.21 0.00 1.85 -1.26 -2.56 116.66 110.48 1ig3 n ARG 51 Ca 0.14 0.52 0.10 0.00 -1.00 0.00 0.00 57.85 57.60 1ig3 n ARG 51 Cb 0.55 -1.64 0.64 0.00 -1.05 0.00 0.00 32.46 30.96 1ig3 n ARG 51 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1ig3 h PHE 52 N 0.00 0.02 0.09 2.89 -5.15 -1.69 -2.54 116.94 110.57 1ig3 h PHE 52 Ca 0.00 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1ig3 h PHE 52 Cb 0.03 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 36.19 1ig3 h PHE 52 CO 0.00 0.01 -0.05 0.00 -2.00 0.00 0.00 178.31 176.28 1ig3 h ARG 53 N 0.02 -0.12 -0.47 6.09 3.08 -1.75 0.21 114.38 121.44 1ig3 h ARG 53 Ca 0.04 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1ig3 h ARG 53 Cb 0.15 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1ig3 h ARG 53 CO -0.00 -0.04 0.15 1.25 -1.07 0.00 0.00 179.97 180.26 1ig3 h HIS 54 N -0.18 0.75 -0.43 3.04 2.76 -1.72 -2.94 115.15 116.43 1ig3 h HIS 54 Ca -0.01 -0.08 -0.06 0.00 -2.20 0.00 0.00 60.37 58.03 1ig3 h HIS 54 Cb 0.14 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 1ig3 h HIS 54 CO -0.06 0.67 0.04 -0.07 -1.30 0.00 0.00 177.93 177.21 1ig3 h LEU 55 N 0.62 0.63 -0.45 0.26 3.38 -1.37 -3.13 115.31 115.26 1ig3 h LEU 55 Ca 0.15 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1ig3 h LEU 55 Cb 0.27 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1ig3 h LEU 55 CO -0.00 0.68 0.24 -0.25 0.09 0.00 0.00 178.44 179.20 1ig3 h TRP 56 N 0.64 0.62 -0.12 1.13 2.91 -0.77 -2.94 115.95 117.43 1ig3 h TRP 56 Ca 0.14 -0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.17 1ig3 h TRP 56 Cb 0.35 -0.20 -0.06 0.00 -0.51 0.00 0.00 29.16 28.74 1ig3 h TRP 56 CO 0.02 0.47 -0.50 0.87 -1.03 0.00 0.00 178.44 178.27 1ig3 h LYS 57 N 0.59 -0.54 -0.01 2.65 1.57 -1.47 -3.01 116.57 116.35 1ig3 h LYS 57 Ca 0.16 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1ig3 h LYS 57 Cb 0.06 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1ig3 h LYS 57 CO -0.02 -0.36 -0.11 1.63 -0.57 0.00 0.00 179.45 180.01 1ig3 n LYS 58 N -5.44 0.89 -1.98 3.15 5.02 -1.24 -4.92 118.16 113.64 1ig3 n LYS 58 Ca -0.05 -0.37 -0.37 0.00 -2.02 0.00 0.00 58.31 55.49 1ig3 n LYS 58 Cb 0.38 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.92 1ig3 n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ig3 s ALA 59 N -2.37 2.76 0.07 7.82 0.00 -1.11 -4.74 121.76 124.20 1ig3 s ALA 59 Ca 0.31 1.13 0.09 0.00 0.00 0.00 0.00 51.96 53.48 1ig3 s ALA 59 Cb 0.20 -3.48 -0.17 0.00 0.00 0.00 0.00 23.12 19.67 1ig3 s ALA 59 CO 0.45 -1.13 1.27 -0.07 0.00 0.00 0.00 175.76 176.29 1ig3 h LEU 60 N 1.42 0.00 -7.33 0.00 3.38 -0.58 -3.46 115.31 108.75 1ig3 h LEU 60 Ca -0.50 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.32 1ig3 h LEU 60 Cb 1.29 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.78 1ig3 h LEU 60 CO 0.57 0.92 -0.34 -0.22 0.09 0.00 0.00 178.44 179.47 1ig3 s LEU 61 N -6.63 0.40 -0.06 1.67 2.96 -1.26 -5.04 118.68 110.72 1ig3 s LEU 61 Ca 0.01 0.72 0.04 0.00 -0.22 0.00 0.00 54.13 54.69 1ig3 s LEU 61 Cb 0.10 1.15 -0.00 0.00 0.50 0.00 0.00 46.19 47.93 1ig3 s LEU 61 CO 0.81 -0.15 -0.19 -0.13 -1.32 0.00 0.00 176.35 175.37 1ig3 s ARG 62 N 0.75 2.16 0.10 1.98 3.00 -1.26 -0.02 118.95 125.65 1ig3 s ARG 62 Ca -0.05 -0.69 -0.00 0.00 0.00 0.00 0.00 55.73 55.00 1ig3 s ARG 62 Cb -0.06 -1.79 -0.04 0.00 0.00 0.00 0.00 34.95 33.06 1ig3 s ARG 62 CO -0.05 0.22 -0.01 0.00 0.00 0.00 0.00 175.30 175.46 1ig3 s ALA 63 N 0.16 0.80 0.06 2.13 0.00 0.25 -0.07 121.76 125.07 1ig3 s ALA 63 Ca -0.08 -1.35 0.07 0.00 0.00 0.00 0.00 51.96 50.60 1ig3 s ALA 63 Cb -0.14 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 1ig3 s ALA 63 CO 0.04 -0.37 -0.21 0.00 0.00 0.00 0.00 175.76 175.22 1ig3 s ALA 65 N -0.89 2.83 0.00 0.00 0.00 0.27 -1.85 121.76 122.12 1ig3 s ALA 65 Ca 0.07 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1ig3 s ALA 65 Cb -0.09 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.44 1ig3 s ALA 65 CO 0.02 -0.16 0.00 -0.40 0.00 0.00 0.00 175.76 175.23 1ig3 n ASP 66 N 4.27 0.00 0.19 0.00 5.75 0.28 -1.04 116.55 126.01 1ig3 n ASP 66 Ca -0.18 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 54.71 1ig3 n ASP 66 Cb 0.52 0.00 0.60 0.00 -1.03 0.00 0.00 41.12 41.21 1ig3 n ASP 66 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1ig3 h GLY 67 N 0.00 0.00 1.27 6.12 0.00 -1.87 -1.90 103.07 106.69 1ig3 h GLY 67 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 1ig3 h GLY 67 CO 0.00 0.00 0.27 -1.33 0.00 0.00 0.00 176.54 175.48 1ig3 h GLY 68 N 0.00 0.02 1.39 4.60 0.00 -1.21 -0.15 103.07 107.72 1ig3 h GLY 68 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1ig3 h GLY 68 CO 0.00 0.00 0.14 0.00 0.00 0.00 0.00 176.54 176.68 1ig3 h ALA 69 N 1.81 1.28 -0.25 3.60 0.00 -1.54 -1.22 119.26 122.95 1ig3 h ALA 69 Ca 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ig3 h ALA 69 Cb 0.69 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1ig3 h ALA 69 CO -0.00 0.51 0.11 -0.91 0.00 0.00 0.00 179.25 178.95 1ig3 h ASN 70 N 0.75 0.33 -0.48 0.00 2.35 -1.23 -0.52 115.58 116.77 1ig3 h ASN 70 Ca 0.17 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.72 1ig3 h ASN 70 Cb 0.25 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1ig3 h ASN 70 CO -0.00 0.38 0.11 0.45 -1.65 0.00 0.00 177.43 176.71 1ig3 h HIS 71 N 0.26 0.87 0.03 1.19 3.86 -1.30 0.12 115.15 120.19 1ig3 h HIS 71 Ca 0.08 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1ig3 h HIS 71 Cb 0.14 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.36 1ig3 h HIS 71 CO -0.02 0.74 -0.02 1.25 0.86 0.00 0.00 177.93 180.75 1ig3 h LEU 72 N 0.80 -0.04 -0.58 2.43 5.85 -1.03 -2.98 115.31 119.77 1ig3 h LEU 72 Ca 0.17 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.69 1ig3 h LEU 72 Cb 0.33 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1ig3 h LEU 72 CO 0.00 0.24 0.29 0.22 -0.34 0.00 0.00 178.44 178.86 1ig3 h TYR 73 N -0.32 0.53 0.00 1.25 3.20 -0.81 -2.47 116.97 118.35 1ig3 h TYR 73 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1ig3 h TYR 73 Cb 0.30 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1ig3 h TYR 73 CO 0.02 0.24 0.00 -0.25 -1.64 0.00 0.00 178.16 176.53 1ig3 n ASP 74 N -4.87 0.15 -0.37 -2.11 8.00 0.40 -2.74 116.55 115.01 1ig3 n ASP 74 Ca 0.06 0.53 0.04 0.00 0.71 0.00 0.00 54.79 56.13 1ig3 n ASP 74 Cb 0.17 -0.56 0.07 0.00 -0.02 0.00 0.00 41.12 40.78 1ig3 n ASP 74 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1ig3 n LEU 75 N -1.66 2.20 -0.35 0.64 7.94 -0.95 -4.64 117.00 120.17 1ig3 n LEU 75 Ca 0.04 -1.59 0.07 0.00 -1.11 0.00 0.00 56.01 53.41 1ig3 n LEU 75 Cb 0.20 -0.09 0.12 0.00 0.53 0.00 0.00 43.42 44.18 1ig3 n LEU 75 CO 0.16 0.52 0.43 0.35 -1.11 0.00 0.00 177.39 177.75 1ig3 n THR 76 N 0.27 1.50 -1.66 1.96 -2.24 -1.06 -5.07 114.28 107.98 1ig3 n THR 76 Ca 0.06 -1.99 -0.45 0.00 -2.27 0.00 0.00 64.05 59.40 1ig3 n THR 76 Cb 0.29 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.47 1ig3 n THR 76 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1ig3 n GLU 77 N -0.99 1.93 0.00 -0.78 2.13 -1.25 -1.37 120.64 120.31 1ig3 n GLU 77 Ca 0.13 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.64 1ig3 n GLU 77 Cb 0.70 -2.34 0.00 0.00 0.27 0.00 0.00 31.44 30.07 1ig3 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ig3 n GLY 78 N 2.27 3.24 1.56 8.31 0.00 -1.26 -4.75 105.19 114.57 1ig3 n GLY 78 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.18 1ig3 n GLY 78 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ig3 n GLU 79 N -1.72 0.09 0.26 1.61 0.28 -0.47 -4.89 120.64 115.80 1ig3 n GLU 79 Ca 0.00 -2.06 0.10 0.00 -0.16 0.00 0.00 57.16 55.03 1ig3 n GLU 79 Cb 0.00 -0.08 0.69 0.00 1.43 0.00 0.00 31.44 33.48 1ig3 n GLU 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ig3 h ARG 80 N 1.07 0.00 0.00 3.44 3.08 -1.61 -0.79 114.38 119.57 1ig3 h ARG 80 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1ig3 h ARG 80 Cb 1.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.91 1ig3 h ARG 80 CO 0.10 0.05 0.00 0.93 -1.07 0.00 0.00 179.97 179.97 1ig3 h GLU 81 N 0.00 0.00 -0.02 0.04 5.08 -1.90 -0.49 114.58 117.29 1ig3 h GLU 81 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ig3 h GLU 81 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1ig3 h GLU 81 CO 0.01 0.00 -0.09 0.43 -1.00 0.00 0.00 179.01 178.36 1ig3 n SER 82 N -2.42 1.99 -3.16 1.42 7.64 -0.31 -4.41 113.62 114.36 1ig3 n SER 82 Ca 0.01 -1.58 -0.22 0.00 1.01 0.00 0.00 58.87 58.09 1ig3 n SER 82 Cb 0.21 0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.43 1ig3 n SER 82 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ig3 n PHE 83 N 0.43 1.06 -3.68 1.43 3.01 -0.19 -5.03 117.46 114.48 1ig3 n PHE 83 Ca 0.15 -3.82 -0.38 0.00 1.01 0.00 0.00 57.45 54.41 1ig3 n PHE 83 Cb 0.45 -0.43 -0.12 0.00 -0.01 0.00 0.00 39.48 39.37 1ig3 n PHE 83 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ig3 s LEU 84 N -2.36 3.99 0.56 4.37 1.43 -1.23 -4.94 118.68 120.49 1ig3 s LEU 84 Ca 0.41 -0.51 -0.19 0.00 -1.03 0.00 0.00 54.13 52.81 1ig3 s LEU 84 Cb 0.28 -1.98 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 1ig3 s LEU 84 CO -0.09 -0.17 1.17 -2.16 0.23 0.00 0.00 176.35 175.32 1ig3 s PRO 85 N 1.60 3.21 0.16 1.29 0.04 -1.26 -4.91 135.00 135.12 1ig3 s PRO 85 Ca 0.05 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.65 1ig3 s PRO 85 Cb -0.17 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.41 1ig3 s PRO 85 CO 0.05 -0.99 1.81 1.49 0.04 0.00 0.00 177.00 179.40 1ig3 h GLU 86 N 1.10 0.60 -3.77 4.56 4.57 -0.88 -3.42 114.58 117.34 1ig3 h GLU 86 Ca -0.50 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 57.55 1ig3 h GLU 86 Cb 1.28 -0.13 -0.13 0.00 -0.16 0.00 0.00 28.75 29.61 1ig3 h GLU 86 CO 0.56 0.41 -0.30 -0.59 -1.18 0.00 0.00 179.01 177.92 1ig3 s PHE 87 N -6.10 0.20 -0.07 0.92 -0.71 -1.24 -2.20 117.98 108.79 1ig3 s PHE 87 Ca -0.13 -0.59 0.00 0.00 -1.04 0.00 0.00 56.93 55.18 1ig3 s PHE 87 Cb 0.11 -0.00 0.02 0.00 -1.21 0.00 0.00 43.02 41.94 1ig3 s PHE 87 CO 0.73 -0.65 -0.05 0.08 -1.34 0.00 0.00 175.22 173.99 1ig3 s VAL 88 N -3.90 0.66 0.31 -2.49 1.01 -0.07 -2.29 120.40 113.63 1ig3 s VAL 88 Ca 0.10 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.01 1ig3 s VAL 88 Cb 0.04 -0.70 -0.06 0.00 0.00 0.00 0.00 36.38 35.65 1ig3 s VAL 88 CO -0.06 0.28 -0.01 -0.94 0.00 0.00 0.00 175.10 174.37 1ig3 s SER 89 N 1.33 2.76 0.00 3.32 1.04 -0.77 -0.38 113.70 120.99 1ig3 s SER 89 Ca -0.04 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.11 1ig3 s SER 89 Cb -0.14 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.82 1ig3 s SER 89 CO -0.03 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1ig3 n GLY 90 N -0.66 0.42 3.69 7.32 0.00 -0.98 0.10 105.19 115.07 1ig3 n GLY 90 Ca -0.04 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.31 1ig3 n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ig3 s ASP 91 N -4.00 7.16 0.00 1.61 1.01 -1.26 -2.86 116.67 118.33 1ig3 s ASP 91 Ca 0.00 1.67 0.23 0.00 0.71 0.00 0.00 52.55 55.15 1ig3 s ASP 91 Cb 0.00 -2.56 1.34 0.00 1.01 0.00 0.00 42.92 42.71 1ig3 s ASP 91 CO 0.00 -0.50 1.86 0.49 0.21 0.00 0.00 175.17 177.23 1ig3 n PHE 92 N 5.02 0.00 0.74 4.23 0.99 -1.26 -2.49 117.46 124.70 1ig3 n PHE 92 Ca 0.10 -0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.66 1ig3 n PHE 92 Cb 0.48 0.00 0.20 0.00 -1.00 0.00 0.00 39.48 39.16 1ig3 n PHE 92 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1ig3 n ASP 93 N -0.82 0.60 0.02 4.37 8.00 -1.26 -3.50 116.55 123.96 1ig3 n ASP 93 Ca 0.17 -0.02 0.13 0.00 0.71 0.00 0.00 54.79 55.77 1ig3 n ASP 93 Cb 0.09 0.22 0.38 0.00 -0.02 0.00 0.00 41.12 41.78 1ig3 n ASP 93 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ig3 n SER 94 N -1.86 0.41 -4.79 -2.24 3.41 -1.04 -4.79 113.62 102.72 1ig3 n SER 94 Ca 0.04 0.18 -0.36 0.00 -0.26 0.00 0.00 58.87 58.47 1ig3 n SER 94 Cb 0.40 -0.15 -0.07 0.00 -0.26 0.00 0.00 64.21 64.12 1ig3 n SER 94 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ig3 s ILE 95 N -3.04 5.27 0.53 -1.33 1.01 -1.23 -4.03 121.20 118.39 1ig3 s ILE 95 Ca 0.11 0.13 -0.21 0.00 0.00 0.00 0.00 60.65 60.68 1ig3 s ILE 95 Cb 0.17 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.26 1ig3 s ILE 95 CO 0.63 0.55 1.24 -0.13 0.00 0.00 0.00 174.94 177.24 1ig3 s ARG 96 N -0.50 3.29 0.18 2.79 0.52 -1.26 -4.82 118.95 119.15 1ig3 s ARG 96 Ca 0.12 1.94 -0.15 0.00 -0.52 0.00 0.00 55.73 57.11 1ig3 s ARG 96 Cb -0.12 -2.19 0.15 0.00 0.52 0.00 0.00 34.95 33.31 1ig3 s ARG 96 CO 0.02 -0.98 1.67 -1.35 0.02 0.00 0.00 175.30 174.68 1ig3 h PRO 97 N 1.46 0.04 0.00 3.54 0.11 -1.96 -1.56 132.00 133.63 1ig3 h PRO 97 Ca -0.50 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 1ig3 h PRO 97 Cb 1.28 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1ig3 h PRO 97 CO 0.57 0.03 -0.33 1.05 -0.21 0.00 0.00 178.00 179.11 1ig3 h GLU 98 N 0.04 0.00 -0.08 1.05 9.09 -1.99 -1.14 114.58 121.55 1ig3 h GLU 98 Ca 0.23 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.60 1ig3 h GLU 98 Cb 0.35 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.45 1ig3 h GLU 98 CO -0.45 0.33 -0.11 0.28 0.05 0.00 0.00 179.01 179.10 1ig3 h VAL 99 N 0.00 1.39 -0.76 -1.06 2.07 -1.75 -1.17 116.25 114.98 1ig3 h VAL 99 Ca -0.00 -1.36 -0.05 0.00 0.82 0.00 0.00 66.70 66.11 1ig3 h VAL 99 Cb 0.65 2.12 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 1ig3 h VAL 99 CO 0.04 0.38 0.29 0.50 0.02 0.00 0.00 177.57 178.80 1ig3 h LYS 100 N -0.25 1.13 -0.65 1.57 3.64 -1.19 -1.94 116.57 118.88 1ig3 h LYS 100 Ca 0.01 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 1ig3 h LYS 100 Cb 0.67 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1ig3 h LYS 100 CO 0.03 0.92 0.35 1.49 -2.27 0.00 0.00 179.45 179.97 1ig3 h GLU 101 N 1.10 0.92 0.18 1.90 4.81 -1.13 -0.96 114.58 121.39 1ig3 h GLU 101 Ca 0.25 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1ig3 h GLU 101 Cb 0.22 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1ig3 h GLU 101 CO -0.02 0.70 -0.08 -0.92 -0.73 0.00 0.00 179.01 177.96 1ig3 h TYR 102 N 0.90 -0.22 -0.31 0.92 3.20 -0.78 -1.89 116.97 118.79 1ig3 h TYR 102 Ca 0.23 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.02 1ig3 h TYR 102 Cb 0.06 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1ig3 h TYR 102 CO -0.00 0.01 -0.12 1.88 -1.64 0.00 0.00 178.16 178.28 1ig3 h TYR 103 N -0.42 0.56 0.34 -3.82 0.99 -1.34 -1.82 116.97 111.46 1ig3 h TYR 103 Ca -0.02 -0.09 -0.02 0.00 2.00 0.00 0.00 58.73 60.60 1ig3 h TYR 103 Cb 0.33 -0.15 0.00 0.00 1.00 0.00 0.00 36.73 37.91 1ig3 h TYR 103 CO -0.01 0.63 -0.16 1.15 -0.00 0.00 0.00 178.16 179.76 1ig3 h THR 104 N 0.48 0.68 0.00 -2.88 2.02 -1.09 -1.19 112.91 110.94 1ig3 h THR 104 Ca 0.09 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1ig3 h THR 104 Cb 0.50 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1ig3 h THR 104 CO 0.03 0.05 -0.10 0.07 0.37 0.00 0.00 175.52 175.94 1ig3 h LYS 105 N -0.59 0.00 -0.01 6.66 2.10 -1.25 -1.27 116.57 122.22 1ig3 h LYS 105 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1ig3 h LYS 105 Cb 0.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1ig3 h LYS 105 CO 0.08 0.10 0.00 1.63 -2.00 0.00 0.00 179.45 179.26 1ig3 n LYS 106 N -4.09 1.02 -0.53 0.07 4.76 -0.69 -4.89 118.16 113.81 1ig3 n LYS 106 Ca -0.02 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 1ig3 n LYS 106 Cb 0.18 -1.23 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 1ig3 n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ig3 n GLY 107 N 0.73 0.75 3.77 0.72 0.00 -0.48 -5.05 105.19 105.64 1ig3 n GLY 107 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1ig3 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ig3 s ASP 109 N -1.34 6.48 -0.44 0.00 2.15 -0.93 -4.59 116.67 117.98 1ig3 s ASP 109 Ca 0.60 0.05 -0.20 0.00 0.43 0.00 0.00 52.55 53.43 1ig3 s ASP 109 Cb -0.27 -2.44 0.03 0.00 -0.30 0.00 0.00 42.92 39.93 1ig3 s ASP 109 CO 0.34 -1.05 0.60 -0.76 -0.17 0.00 0.00 175.17 174.13 1ig3 s LEU 110 N 3.72 4.62 -0.22 -1.34 2.01 -1.26 -0.89 118.68 125.32 1ig3 s LEU 110 Ca 0.36 -0.48 -0.05 0.00 0.01 0.00 0.00 54.13 53.97 1ig3 s LEU 110 Cb -0.10 -2.63 -0.02 0.00 0.01 0.00 0.00 46.19 43.45 1ig3 s LEU 110 CO 0.25 -0.76 0.00 -0.63 1.01 0.00 0.00 176.35 176.22 1ig3 s ILE 111 N 2.68 3.79 0.11 -0.59 1.01 0.49 -4.98 121.20 123.71 1ig3 s ILE 111 Ca 0.20 -0.35 -0.30 0.00 0.00 0.00 0.00 60.65 60.19 1ig3 s ILE 111 Cb -0.15 -2.74 -0.06 0.00 0.01 0.00 0.00 42.46 39.52 1ig3 s ILE 111 CO 0.17 0.40 0.96 -0.55 0.00 0.00 0.00 174.94 175.92 1ig3 s SER 112 N 1.39 7.50 -0.50 3.58 0.15 -1.26 -2.32 113.70 122.25 1ig3 s SER 112 Ca 0.05 1.80 0.05 0.00 0.70 0.00 0.00 55.95 58.54 1ig3 s SER 112 Cb -0.15 -2.59 0.18 0.00 -1.71 0.00 0.00 66.02 61.76 1ig3 s SER 112 CO 0.00 -0.07 0.42 0.35 1.20 0.00 0.00 173.24 175.14 1ig3 n THR 113 N 2.80 -0.28 0.07 6.45 -2.24 -1.13 -4.84 114.28 115.10 1ig3 n THR 113 Ca 0.02 -3.93 -0.15 0.00 -2.27 0.00 0.00 64.05 57.72 1ig3 n THR 113 Cb 0.49 -1.84 -0.09 0.00 -2.10 0.00 0.00 70.33 66.79 1ig3 n THR 113 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1ig3 h PRO 114 N 5.34 -0.63 0.00 -0.78 0.11 -1.95 -3.40 132.00 130.68 1ig3 h PRO 114 Ca 0.22 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.37 1ig3 h PRO 114 Cb 0.86 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1ig3 h PRO 114 CO 0.49 -0.42 0.00 -3.47 -0.21 0.00 0.00 178.00 174.39 1ig3 n ASP 115 N -5.24 0.00 -0.55 -2.05 -0.08 -1.26 -4.80 116.55 102.56 1ig3 n ASP 115 Ca -0.07 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.24 1ig3 n ASP 115 Cb 0.37 0.00 0.10 0.00 2.34 0.00 0.00 41.12 43.94 1ig3 n ASP 115 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1ig3 n GLN 116 N 0.00 1.69 0.00 -0.67 -0.06 -1.26 -3.39 117.38 113.69 1ig3 n GLN 116 Ca 0.00 -0.81 0.05 0.00 -2.00 0.00 0.00 57.00 54.24 1ig3 n GLN 116 Cb 0.00 -1.34 -0.03 0.00 -4.06 0.00 0.00 30.24 24.81 1ig3 n GLN 116 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1ig3 n ASP 117 N 0.14 0.89 -4.02 1.69 10.43 -1.26 -5.00 116.55 119.42 1ig3 n ASP 117 Ca 0.07 -0.95 -0.14 0.00 2.57 0.00 0.00 54.79 56.35 1ig3 n ASP 117 Cb 0.29 0.71 -0.12 0.00 1.84 0.00 0.00 41.12 43.83 1ig3 n ASP 117 CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 1ig3 s HIS 118 N -1.64 0.59 0.77 1.24 3.76 -1.22 -5.15 115.29 113.63 1ig3 s HIS 118 Ca 0.06 -0.35 -0.11 0.00 -0.15 0.00 0.00 55.06 54.51 1ig3 s HIS 118 Cb 0.08 -0.36 0.05 0.00 1.11 0.00 0.00 32.58 33.47 1ig3 s HIS 118 CO 0.33 -0.06 1.08 0.95 -0.85 0.00 0.00 174.74 176.19 1ig3 s THR 119 N -0.94 3.40 0.41 1.30 -4.23 -1.26 -4.86 115.64 109.46 1ig3 s THR 119 Ca -0.06 0.45 0.20 0.00 -1.18 0.00 0.00 61.69 61.10 1ig3 s THR 119 Cb -0.07 -3.08 0.21 0.00 1.34 0.00 0.00 72.50 70.90 1ig3 s THR 119 CO 0.00 -0.59 1.98 0.44 -0.54 0.00 0.00 174.62 175.91 1ig3 h ASP 120 N -1.05 0.00 0.28 3.99 3.32 -1.93 -1.92 116.42 119.11 1ig3 h ASP 120 Ca -0.45 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 1ig3 h ASP 120 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1ig3 h ASP 120 CO 0.55 0.20 -0.13 0.15 -1.72 0.00 0.00 179.24 178.29 1ig3 h PHE 121 N 0.00 -0.35 -0.16 4.55 -0.00 -1.94 0.44 116.94 119.49 1ig3 h PHE 121 Ca -0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 57.97 57.97 1ig3 h PHE 121 Cb 0.41 0.11 -0.01 0.00 -0.00 0.00 0.00 35.95 36.46 1ig3 h PHE 121 CO 0.00 -0.12 0.09 1.15 -0.00 0.00 0.00 178.31 179.42 1ig3 h THR 122 N -0.51 1.01 -0.52 4.41 2.02 -1.88 -1.15 112.91 116.29 1ig3 h THR 122 Ca -0.04 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1ig3 h THR 122 Cb 0.38 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1ig3 h THR 122 CO 0.06 0.03 0.23 0.11 0.37 0.00 0.00 175.52 176.33 1ig3 h LYS 123 N 0.18 0.74 -0.50 6.66 1.57 -1.23 -2.13 116.57 121.87 1ig3 h LYS 123 Ca 0.06 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 1ig3 h LYS 123 Cb 0.00 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1ig3 h LYS 123 CO -0.04 0.59 -0.02 0.00 -0.57 0.00 0.00 179.45 179.42 1ig3 h LEU 125 N 0.78 0.79 -0.84 0.00 3.38 -0.60 -0.20 115.31 118.61 1ig3 h LEU 125 Ca 0.15 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1ig3 h LEU 125 Cb 0.50 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1ig3 h LEU 125 CO 0.02 0.86 0.27 1.56 0.09 0.00 0.00 178.44 181.24 1ig3 h GLN 126 N 0.76 1.13 -0.27 1.13 4.20 -1.08 0.57 115.11 121.55 1ig3 h GLN 126 Ca 0.15 -0.21 -0.16 0.00 0.06 0.00 0.00 58.65 58.49 1ig3 h GLN 126 Cb 0.47 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1ig3 h GLN 126 CO 0.02 0.93 -0.46 0.28 -0.67 0.00 0.00 178.83 178.93 1ig3 h VAL 127 N 1.10 1.29 -0.50 -0.54 2.07 -0.99 -2.34 116.25 116.34 1ig3 h VAL 127 Ca 0.25 -1.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 1ig3 h VAL 127 Cb 0.25 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1ig3 h VAL 127 CO -0.02 0.53 0.13 0.25 0.02 0.00 0.00 177.57 178.49 1ig3 h LEU 128 N 0.56 0.74 -0.58 2.57 5.85 -0.53 -1.57 115.31 122.36 1ig3 h LEU 128 Ca 0.03 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1ig3 h LEU 128 Cb 1.01 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 1ig3 h LEU 128 CO 0.10 0.77 0.37 -0.61 -0.34 0.00 0.00 178.44 178.73 1ig3 h GLN 129 N 0.68 0.77 -0.96 1.25 5.75 -0.82 0.15 115.11 121.93 1ig3 h GLN 129 Ca 0.16 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.63 1ig3 h GLN 129 Cb 0.31 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.64 1ig3 h GLN 129 CO -0.00 0.53 0.63 -0.09 -2.65 0.00 0.00 178.83 177.24 1ig3 h ARG 130 N 0.79 1.21 -0.14 1.69 2.43 -1.13 -1.31 114.38 117.92 1ig3 h ARG 130 Ca 0.21 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 59.15 1ig3 h ARG 130 Cb -0.07 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.20 1ig3 h ARG 130 CO -0.04 0.80 -0.59 0.87 -1.51 0.00 0.00 179.97 179.49 1ig3 h LYS 131 N 1.24 0.45 -0.53 0.20 1.57 -0.58 -1.40 116.57 117.53 1ig3 h LYS 131 Ca 0.37 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1ig3 h LYS 131 Cb -0.06 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1ig3 h LYS 131 CO -0.10 0.91 0.30 0.82 -0.57 0.00 0.00 179.45 180.81 1ig3 h ILE 132 N 0.34 1.17 0.48 1.86 2.04 -0.10 -1.28 117.51 122.03 1ig3 h ILE 132 Ca -0.00 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1ig3 h ILE 132 Cb 1.13 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1ig3 h ILE 132 CO 0.10 0.18 -0.23 -0.33 0.00 0.00 0.00 178.15 177.88 1ig3 h GLU 133 N 0.71 -0.62 -0.98 2.37 5.08 -1.17 0.22 114.58 120.18 1ig3 h GLU 133 Ca 0.19 0.04 0.23 0.00 -1.00 0.00 0.00 59.36 58.82 1ig3 h GLU 133 Cb 0.03 0.14 -0.12 0.00 0.50 0.00 0.00 28.75 29.30 1ig3 h GLU 133 CO -0.03 -0.32 0.55 0.93 -1.00 0.00 0.00 179.01 179.14 1ig3 h GLU 134 N -0.95 0.56 -0.38 2.33 5.08 -1.19 0.60 114.58 120.62 1ig3 h GLU 134 Ca -0.07 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1ig3 h GLU 134 Cb 0.59 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1ig3 h GLU 134 CO 0.11 0.37 0.00 1.63 -1.00 0.00 0.00 179.01 180.12 1ig3 n LYS 135 N -4.90 2.05 -4.15 2.33 5.02 -0.49 -4.93 118.16 113.08 1ig3 n LYS 135 Ca 0.25 -1.61 -0.30 0.00 -2.02 0.00 0.00 58.31 54.63 1ig3 n LYS 135 Cb 0.69 -1.39 -0.05 0.00 -0.02 0.00 0.00 35.03 34.26 1ig3 n LYS 135 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ig3 n GLU 136 N 0.81 -2.32 -2.91 1.97 1.02 0.21 -4.91 120.64 114.52 1ig3 n GLU 136 Ca 0.16 0.28 -0.34 0.00 -0.02 0.00 0.00 57.16 57.24 1ig3 n GLU 136 Cb 0.40 -4.30 -0.07 0.00 -0.02 0.00 0.00 31.44 27.46 1ig3 n GLU 136 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ig3 s LEU 137 N -7.17 4.12 -0.32 -4.62 1.43 0.64 -5.02 118.68 107.74 1ig3 s LEU 137 Ca 0.16 1.61 -0.09 0.00 -1.03 0.00 0.00 54.13 54.78 1ig3 s LEU 137 Cb -0.09 -4.19 0.01 0.00 0.03 0.00 0.00 46.19 41.96 1ig3 s LEU 137 CO 0.94 -0.20 0.14 -1.10 0.23 0.00 0.00 176.35 176.36 1ig3 s GLN 138 N -2.69 3.07 -0.10 1.70 -0.21 -1.26 -4.84 119.66 115.32 1ig3 s GLN 138 Ca 0.55 -0.89 0.03 0.00 0.02 0.00 0.00 55.36 55.07 1ig3 s GLN 138 Cb -0.13 -3.53 0.01 0.00 1.00 0.00 0.00 33.01 30.36 1ig3 s GLN 138 CO 0.18 -0.51 -0.19 0.08 -2.12 0.00 0.00 175.29 172.72 1ig3 s VAL 139 N 1.54 1.75 0.03 1.09 1.01 -1.26 -4.77 120.40 119.79 1ig3 s VAL 139 Ca 0.03 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.24 1ig3 s VAL 139 Cb -0.18 -1.55 -0.24 0.00 0.00 0.00 0.00 36.38 34.42 1ig3 s VAL 139 CO 0.05 0.49 0.94 0.44 0.00 0.00 0.00 175.10 177.02 1ig3 h ASP 140 N 6.99 0.12 -5.01 3.32 3.32 -0.75 -3.46 116.42 120.94 1ig3 h ASP 140 Ca -0.26 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.57 1ig3 h ASP 140 Cb 1.21 -0.04 -0.15 0.00 0.22 0.00 0.00 39.33 40.57 1ig3 h ASP 140 CO 0.49 1.14 0.11 0.54 -1.72 0.00 0.00 179.24 179.80 1ig3 s VAL 141 N -2.64 0.02 -0.23 -1.35 0.11 -1.15 -4.05 120.40 111.10 1ig3 s VAL 141 Ca -0.04 -0.15 -0.03 0.00 -2.93 0.00 0.00 61.98 58.83 1ig3 s VAL 141 Cb 0.08 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.95 1ig3 s VAL 141 CO 0.83 -0.08 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.83 1ig3 s ILE 142 N -2.62 3.07 -0.29 7.04 1.01 0.01 -2.11 121.20 127.31 1ig3 s ILE 142 Ca -0.04 -0.79 -0.13 0.00 0.00 0.00 0.00 60.65 59.70 1ig3 s ILE 142 Cb -0.01 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 1ig3 s ILE 142 CO -0.03 0.31 0.26 -0.69 0.00 0.00 0.00 174.94 174.79 1ig3 s VAL 143 N 1.39 5.26 -0.17 2.92 1.01 -0.24 -1.61 120.40 128.97 1ig3 s VAL 143 Ca 0.03 0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.17 1ig3 s VAL 143 Cb -0.15 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1ig3 s VAL 143 CO -0.04 0.17 0.04 -0.89 0.00 0.00 0.00 175.10 174.37 1ig3 s THR 144 N 1.86 4.57 -0.23 3.92 2.01 0.09 -0.91 115.64 126.96 1ig3 s THR 144 Ca 0.09 -0.12 -0.07 0.00 0.31 0.00 0.00 61.69 61.91 1ig3 s THR 144 Cb -0.16 -3.04 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 1ig3 s THR 144 CO 0.11 0.49 0.06 -0.76 -0.69 0.00 0.00 174.62 173.82 1ig3 s LEU 145 N 0.21 3.51 0.00 4.42 1.43 0.55 -0.65 118.68 128.15 1ig3 s LEU 145 Ca 0.03 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1ig3 s LEU 145 Cb -0.13 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1ig3 s LEU 145 CO 0.01 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.23 1ig3 n GLY 146 N 4.50 -0.50 3.79 -3.19 0.00 -0.50 -0.89 105.19 108.40 1ig3 n GLY 146 Ca -0.16 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.68 1ig3 n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ig3 n GLY 147 N 0.00 1.89 0.75 -0.02 0.00 -1.26 -4.46 105.19 102.09 1ig3 n GLY 147 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1ig3 n GLY 147 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ig3 n LEU 148 N 0.00 2.92 -4.55 0.99 4.77 -1.26 -4.13 117.00 115.75 1ig3 n LEU 148 Ca 0.00 -1.74 -0.27 0.00 -0.03 0.00 0.00 56.01 53.98 1ig3 n LEU 148 Cb 0.00 -0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 40.79 1ig3 n LEU 148 CO 0.00 0.69 -0.20 -0.83 -1.33 0.00 0.00 177.39 175.72 1ig3 s GLY 149 N -1.05 2.66 0.00 -0.72 0.00 -1.26 -4.99 107.32 101.96 1ig3 s GLY 149 Ca 0.26 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.84 1ig3 s GLY 149 CO 0.20 -1.88 0.00 0.61 0.00 0.00 0.00 173.10 172.02 1ig3 n GLY 150 N -0.96 -0.66 3.61 0.20 0.00 -1.26 -4.67 105.19 101.45 1ig3 n GLY 150 Ca -0.08 -1.16 -0.52 0.00 0.00 0.00 0.00 46.02 44.27 1ig3 n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ig3 n ARG 151 N 0.00 1.27 -0.37 1.61 1.74 -1.26 -4.85 116.66 114.80 1ig3 n ARG 151 Ca 0.00 0.46 -0.02 0.00 -0.77 0.00 0.00 57.85 57.52 1ig3 n ARG 151 Cb 0.00 -2.12 0.11 0.00 -1.02 0.00 0.00 32.46 29.43 1ig3 n ARG 151 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1ig3 h PHE 152 N 4.90 1.24 -0.29 -1.55 3.57 -2.00 -1.83 116.94 120.97 1ig3 h PHE 152 Ca -0.47 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.02 1ig3 h PHE 152 Cb 1.32 -0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 1ig3 h PHE 152 CO 0.61 0.77 0.05 0.38 -2.23 0.00 0.00 178.31 177.89 1ig3 h ASP 153 N 1.33 0.39 0.27 0.41 2.03 -1.99 -2.10 116.42 116.77 1ig3 h ASP 153 Ca 0.37 -0.05 -0.17 0.00 -0.73 0.00 0.00 57.03 56.45 1ig3 h ASP 153 Cb -0.14 -0.10 -0.01 0.00 -0.83 0.00 0.00 39.33 38.26 1ig3 h ASP 153 CO -0.08 0.42 -0.66 1.56 -1.03 0.00 0.00 179.24 179.44 1ig3 h GLN 154 N 0.42 0.36 -0.65 4.15 1.08 -1.76 -0.12 115.11 118.59 1ig3 h GLN 154 Ca 0.10 -0.27 -0.05 0.00 -1.45 0.00 0.00 58.65 56.98 1ig3 h GLN 154 Cb 0.21 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 1ig3 h GLN 154 CO 0.00 0.90 0.22 0.82 -0.95 0.00 0.00 178.83 179.81 1ig3 h ILE 155 N 0.26 1.25 -0.35 2.54 2.04 -0.78 -1.14 117.51 121.33 1ig3 h ILE 155 Ca -0.02 -0.84 -0.11 0.00 1.00 0.00 0.00 64.86 64.90 1ig3 h ILE 155 Cb 1.21 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1ig3 h ILE 155 CO 0.11 0.32 -0.23 0.24 0.00 0.00 0.00 178.15 178.59 1ig3 h MET 156 N 0.94 0.69 -0.70 2.37 2.86 -1.20 -2.52 114.93 117.38 1ig3 h MET 156 Ca 0.21 -0.28 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1ig3 h MET 156 Cb 0.28 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 1ig3 h MET 156 CO -0.01 0.87 0.33 0.00 1.06 0.00 0.00 176.91 179.16 1ig3 h ALA 157 N 1.13 1.26 -0.65 6.32 0.00 -0.61 -0.06 119.26 126.65 1ig3 h ALA 157 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ig3 h ALA 157 Cb 0.72 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1ig3 h ALA 157 CO 0.06 0.57 0.41 0.77 0.00 0.00 0.00 179.25 181.05 1ig3 h SER 158 N 0.99 0.77 -0.36 0.00 0.02 -0.81 0.11 113.55 114.28 1ig3 h SER 158 Ca 0.24 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1ig3 h SER 158 Cb 0.11 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1ig3 h SER 158 CO -0.03 0.58 0.12 0.58 -1.14 0.00 0.00 176.83 176.94 1ig3 h VAL 159 N 0.89 1.20 -0.17 2.27 2.07 -1.03 -2.48 116.25 118.99 1ig3 h VAL 159 Ca 0.24 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1ig3 h VAL 159 Cb -0.06 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1ig3 h VAL 159 CO -0.05 0.23 -0.01 -1.13 0.02 0.00 0.00 177.57 176.63 1ig3 h ASN 160 N 0.43 0.23 -0.65 0.57 -1.24 -0.40 -1.17 115.58 113.34 1ig3 h ASN 160 Ca 0.12 -0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.09 1ig3 h ASN 160 Cb 0.23 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.19 1ig3 h ASN 160 CO -0.01 0.29 0.37 0.74 -1.29 0.00 0.00 177.43 177.53 1ig3 h THR 161 N 0.25 1.20 -0.32 -3.57 2.02 -0.33 -0.92 112.91 111.23 1ig3 h THR 161 Ca 0.06 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1ig3 h THR 161 Cb 0.19 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1ig3 h THR 161 CO 0.00 0.21 0.15 -0.07 0.37 0.00 0.00 175.52 176.19 1ig3 h LEU 162 N 0.92 0.38 -0.29 2.58 3.38 -1.02 0.17 115.31 121.43 1ig3 h LEU 162 Ca 0.24 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 1ig3 h LEU 162 Cb 0.01 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1ig3 h LEU 162 CO -0.04 0.33 -0.37 -0.26 0.09 0.00 0.00 178.44 178.19 1ig3 h PHE 163 N 0.44 0.94 0.00 1.13 -1.00 -1.13 -3.19 116.94 114.13 1ig3 h PHE 163 Ca 0.11 -0.30 -0.11 0.00 2.81 0.00 0.00 57.97 60.48 1ig3 h PHE 163 Cb 0.05 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.41 1ig3 h PHE 163 CO 0.00 1.08 -0.51 1.96 -1.61 0.00 0.00 178.31 179.24 1ig3 h GLN 164 N 0.53 0.00 -0.23 1.51 4.20 -0.34 -3.23 115.11 117.55 1ig3 h GLN 164 Ca 0.04 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.81 1ig3 h GLN 164 Cb 0.96 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 1ig3 h GLN 164 CO 0.09 0.51 0.21 0.00 -0.67 0.00 0.00 178.83 178.97 1ig3 h ALA 165 N 1.49 1.99 0.00 3.87 0.00 -0.69 -0.12 119.26 125.80 1ig3 h ALA 165 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ig3 h ALA 165 Cb 1.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1ig3 h ALA 165 CO 0.07 -0.33 0.00 1.79 0.00 0.00 0.00 179.25 180.78 1ig3 h THR 166 N 0.00 0.00 -0.09 0.00 1.35 -1.68 0.29 112.91 112.77 1ig3 h THR 166 Ca 0.11 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 1ig3 h THR 166 Cb 0.53 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1ig3 h THR 166 CO -0.00 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.68 1ig3 n HIS 167 N -2.82 0.10 -0.08 4.73 8.25 -0.06 -4.53 115.22 120.81 1ig3 n HIS 167 Ca -0.02 -0.07 -0.11 0.00 -0.26 0.00 0.00 57.72 57.25 1ig3 n HIS 167 Cb 0.08 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.11 1ig3 n HIS 167 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1ig3 n ILE 168 N 0.94 0.96 -3.63 1.59 5.41 0.80 -5.06 119.36 120.37 1ig3 n ILE 168 Ca 0.11 -0.38 -0.15 0.00 1.00 0.00 0.00 62.75 63.34 1ig3 n ILE 168 Cb 0.43 -1.08 -0.06 0.00 -0.71 0.00 0.00 39.64 38.21 1ig3 n ILE 168 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1ig3 s THR 169 N -2.34 0.03 -0.62 1.39 -1.32 0.00 -4.92 115.64 107.87 1ig3 s THR 169 Ca -0.22 -0.28 0.25 0.00 -1.21 0.00 0.00 61.69 60.22 1ig3 s THR 169 Cb 0.06 -0.89 0.18 0.00 -1.51 0.00 0.00 72.50 70.34 1ig3 s THR 169 CO 0.39 -0.16 1.52 -0.65 -2.21 0.00 0.00 174.62 173.52 1ig3 h PRO 170 N 3.15 0.00 -6.60 7.08 0.11 -1.88 -3.40 132.00 130.46 1ig3 h PRO 170 Ca -0.30 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.29 1ig3 h PRO 170 Cb 1.18 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.31 1ig3 h PRO 170 CO 0.41 0.00 0.57 0.08 -0.21 0.00 0.00 178.00 178.84 1ig3 s VAL 171 N -3.16 3.71 0.51 3.15 1.01 -1.26 -4.99 120.40 119.38 1ig3 s VAL 171 Ca 0.08 1.36 -0.23 0.00 0.00 0.00 0.00 61.98 63.18 1ig3 s VAL 171 Cb 0.12 -3.87 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 1ig3 s VAL 171 CO 0.67 0.18 1.40 -2.84 0.00 0.00 0.00 175.10 174.50 1ig3 s PRO 172 N 0.26 3.34 -0.09 2.72 0.02 -1.26 -4.78 135.00 135.20 1ig3 s PRO 172 Ca 0.55 2.33 0.02 0.00 0.02 0.00 0.00 61.00 63.92 1ig3 s PRO 172 Cb -0.32 -2.41 0.01 0.00 0.02 0.00 0.00 34.50 31.81 1ig3 s PRO 172 CO 0.34 -1.07 -0.13 0.42 -0.33 0.00 0.00 177.00 176.23 1ig3 s ILE 173 N -1.25 1.31 0.16 2.83 1.01 -1.26 -0.81 121.20 123.19 1ig3 s ILE 173 Ca 0.68 -0.54 0.10 0.00 0.00 0.00 0.00 60.65 60.88 1ig3 s ILE 173 Cb -0.42 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 1ig3 s ILE 173 CO 0.52 0.40 -0.19 0.27 0.00 0.00 0.00 174.94 175.94 1ig3 s ILE 174 N 0.94 2.66 -0.07 2.92 -4.36 -0.63 -4.55 121.20 118.12 1ig3 s ILE 174 Ca -0.08 -1.77 0.04 0.00 -0.26 0.00 0.00 60.65 58.58 1ig3 s ILE 174 Cb -0.15 -2.26 -0.00 0.00 1.25 0.00 0.00 42.46 41.30 1ig3 s ILE 174 CO -0.00 -0.03 -0.21 -0.63 0.24 0.00 0.00 174.94 174.31 1ig3 s ILE 175 N -1.46 1.75 -0.04 8.37 1.01 -0.77 -0.73 121.20 129.33 1ig3 s ILE 175 Ca 0.20 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 60.01 1ig3 s ILE 175 Cb -0.09 -1.51 0.01 0.00 0.01 0.00 0.00 42.46 40.87 1ig3 s ILE 175 CO 0.11 0.49 -0.09 -0.63 0.00 0.00 0.00 174.94 174.82 1ig3 s ILE 176 N 0.21 0.84 -0.21 2.92 1.01 0.17 -1.15 121.20 124.99 1ig3 s ILE 176 Ca -0.11 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 1ig3 s ILE 176 Cb -0.15 -0.76 0.07 0.00 0.01 0.00 0.00 42.46 41.62 1ig3 s ILE 176 CO 0.05 0.27 0.51 -1.58 0.00 0.00 0.00 174.94 174.19 1ig3 s GLN 177 N 0.41 0.51 5.68 2.79 0.74 -0.49 -1.41 119.66 127.88 1ig3 s GLN 177 Ca -0.07 0.94 0.00 0.00 0.05 0.00 0.00 55.36 56.28 1ig3 s GLN 177 Cb -0.11 0.04 0.00 0.00 1.10 0.00 0.00 33.01 34.04 1ig3 s GLN 177 CO 0.01 -0.15 0.00 1.63 -0.55 0.00 0.00 175.29 176.23 1ig3 n LYS 178 N 4.22 0.00 -0.28 1.67 5.02 -1.26 -1.45 118.16 126.09 1ig3 n LYS 178 Ca -0.22 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.15 1ig3 n LYS 178 Cb 0.57 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.80 1ig3 n LYS 178 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ig3 n ASP 179 N 10.33 3.43 -4.39 4.39 8.00 -1.26 -4.89 116.55 132.15 1ig3 n ASP 179 Ca 0.00 -2.07 -0.29 0.00 0.71 0.00 0.00 54.79 53.14 1ig3 n ASP 179 Cb 0.00 -0.35 -0.13 0.00 -0.02 0.00 0.00 41.12 40.62 1ig3 n ASP 179 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ig3 s SER 180 N -1.03 3.31 0.03 -2.24 0.01 -0.53 -0.02 113.70 113.24 1ig3 s SER 180 Ca 0.34 -0.76 0.03 0.00 1.31 0.00 0.00 55.95 56.88 1ig3 s SER 180 Cb 0.19 -0.22 -0.02 0.00 0.21 0.00 0.00 66.02 66.18 1ig3 s SER 180 CO 0.22 0.17 -0.11 -0.22 0.41 0.00 0.00 173.24 173.72 1ig3 s LEU 181 N -2.10 2.15 0.08 2.44 0.20 -0.66 -1.39 118.68 119.39 1ig3 s LEU 181 Ca 0.14 -0.39 0.04 0.00 0.69 0.00 0.00 54.13 54.61 1ig3 s LEU 181 Cb -0.10 -0.43 -0.03 0.00 -0.43 0.00 0.00 46.19 45.20 1ig3 s LEU 181 CO 0.06 -0.01 -0.11 0.27 -0.29 0.00 0.00 176.35 176.27 1ig3 s ILE 182 N -0.79 0.94 -0.27 6.68 -4.36 -0.30 -1.85 121.20 121.24 1ig3 s ILE 182 Ca -0.01 -1.45 -0.15 0.00 -0.26 0.00 0.00 60.65 58.78 1ig3 s ILE 182 Cb -0.07 -1.15 0.08 0.00 1.25 0.00 0.00 42.46 42.57 1ig3 s ILE 182 CO 0.01 -0.42 0.66 -0.47 0.24 0.00 0.00 174.94 174.96 1ig3 s TYR 183 N -1.89 -1.05 -0.26 1.37 5.04 -0.28 -1.85 117.35 118.42 1ig3 s TYR 183 Ca 0.01 2.08 -0.21 0.00 -2.44 0.00 0.00 57.07 56.50 1ig3 s TYR 183 Cb -0.06 0.62 -0.02 0.00 0.35 0.00 0.00 41.96 42.85 1ig3 s TYR 183 CO 0.01 -0.52 0.66 -1.17 -1.34 0.00 0.00 175.55 173.19 1ig3 s LEU 184 N 1.72 4.07 -0.37 6.97 2.96 -1.26 -0.32 118.68 132.46 1ig3 s LEU 184 Ca -0.10 0.73 -0.23 0.00 -0.22 0.00 0.00 54.13 54.31 1ig3 s LEU 184 Cb -0.06 -2.91 0.01 0.00 0.50 0.00 0.00 46.19 43.73 1ig3 s LEU 184 CO -0.19 -0.41 0.80 -0.76 -1.32 0.00 0.00 176.35 174.46 1ig3 s LEU 185 N 2.58 4.12 0.76 -0.68 1.43 0.34 -4.92 118.68 122.32 1ig3 s LEU 185 Ca 0.28 0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.63 1ig3 s LEU 185 Cb -0.15 -3.05 0.05 0.00 0.03 0.00 0.00 46.19 43.07 1ig3 s LEU 185 CO 0.09 -0.75 1.08 -1.10 0.23 0.00 0.00 176.35 175.90 1ig3 s GLN 186 N 3.14 2.38 0.23 1.70 -1.52 -1.26 -0.94 119.66 123.39 1ig3 s GLN 186 Ca 0.32 0.84 -0.31 0.00 -1.95 0.00 0.00 55.36 54.25 1ig3 s GLN 186 Cb -0.13 -1.94 -0.14 0.00 -0.22 0.00 0.00 33.01 30.58 1ig3 s GLN 186 CO 0.17 -1.46 1.31 -2.30 -0.25 0.00 0.00 175.29 172.76 1ig3 n PRO 187 N -3.36 1.75 0.00 2.91 -0.02 -1.26 -4.73 135.00 130.29 1ig3 n PRO 187 Ca 0.07 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1ig3 n PRO 187 Cb 0.55 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1ig3 n PRO 187 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ig3 n GLY 188 N 2.00 0.84 3.52 -1.23 0.00 -0.39 -4.98 105.19 104.96 1ig3 n GLY 188 Ca 0.12 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 1ig3 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ig3 s LYS 189 N -1.50 3.51 0.04 1.61 1.02 -1.26 -1.47 119.74 121.69 1ig3 s LYS 189 Ca 0.00 -0.51 0.09 0.00 0.02 0.00 0.00 55.97 55.56 1ig3 s LYS 189 Cb 0.00 -2.87 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 1ig3 s LYS 189 CO 0.00 0.33 -0.25 -1.01 -0.92 0.00 0.00 175.35 173.50 1ig3 s HIS 190 N 0.12 2.18 -0.31 3.18 3.76 0.18 -0.52 115.29 123.88 1ig3 s HIS 190 Ca -0.01 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 54.53 1ig3 s HIS 190 Cb -0.14 -1.32 0.09 0.00 1.11 0.00 0.00 32.58 32.32 1ig3 s HIS 190 CO 0.03 0.09 0.00 1.03 -0.85 0.00 0.00 174.74 175.05 1ig3 s ARG 191 N -1.12 1.61 -0.32 1.40 0.52 0.07 -1.06 118.95 120.05 1ig3 s ARG 191 Ca 0.10 -1.60 -0.12 0.00 -0.52 0.00 0.00 55.73 53.60 1ig3 s ARG 191 Cb -0.10 -2.97 -0.02 0.00 0.52 0.00 0.00 34.95 32.39 1ig3 s ARG 191 CO 0.02 -0.82 0.21 -0.51 0.02 0.00 0.00 175.30 174.21 1ig3 s LEU 192 N 1.06 4.33 -0.23 2.53 1.43 0.12 -1.13 118.68 126.79 1ig3 s LEU 192 Ca 0.04 -0.41 -0.25 0.00 -1.03 0.00 0.00 54.13 52.49 1ig3 s LEU 192 Cb -0.19 -2.09 -0.00 0.00 0.03 0.00 0.00 46.19 43.93 1ig3 s LEU 192 CO -0.09 -0.20 0.85 -1.00 0.23 0.00 0.00 176.35 176.15 1ig3 s HIS 193 N 1.69 3.32 -0.35 0.29 3.76 0.39 -1.26 115.29 123.14 1ig3 s HIS 193 Ca 0.06 1.18 0.06 0.00 -0.15 0.00 0.00 55.06 56.21 1ig3 s HIS 193 Cb -0.17 -3.07 0.44 0.00 1.11 0.00 0.00 32.58 30.89 1ig3 s HIS 193 CO 0.09 -0.40 1.16 1.33 -0.85 0.00 0.00 174.74 176.07 1ig3 n VAL 194 N 5.22 2.44 -1.42 -0.90 0.24 -0.85 -4.09 118.33 118.97 1ig3 n VAL 194 Ca 0.06 -4.48 0.07 0.00 -2.04 0.00 0.00 64.34 57.96 1ig3 n VAL 194 Cb 0.47 -1.15 0.18 0.00 -1.47 0.00 0.00 33.84 31.87 1ig3 n VAL 194 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1ig3 n ASP 195 N -0.61 1.93 0.20 -1.34 5.75 -1.23 -4.68 116.55 116.56 1ig3 n ASP 195 Ca 0.41 -3.61 0.08 0.00 -0.01 0.00 0.00 54.79 51.67 1ig3 n ASP 195 Cb 0.85 -0.49 0.32 0.00 -1.03 0.00 0.00 41.12 40.77 1ig3 n ASP 195 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1ig3 h THR 196 N 0.68 0.57 0.00 2.12 1.35 -1.93 -3.47 112.91 112.24 1ig3 h THR 196 Ca -0.00 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 1ig3 h THR 196 Cb 1.00 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1ig3 h THR 196 CO 0.00 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.15 1ig3 n GLY 197 N 0.51 0.70 0.17 5.82 0.00 -1.26 -4.88 105.19 106.24 1ig3 n GLY 197 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1ig3 n GLY 197 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ig3 n MET 198 N -2.04 0.41 -1.96 1.61 2.81 -1.26 -4.96 117.12 111.73 1ig3 n MET 198 Ca 0.00 -0.33 -0.40 0.00 -1.81 0.00 0.00 57.70 55.16 1ig3 n MET 198 Cb 0.00 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.02 1ig3 n MET 198 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1ig3 s GLU 199 N -2.82 3.97 0.36 0.03 8.01 -1.26 -0.27 118.70 126.71 1ig3 s GLU 199 Ca 0.12 2.29 -0.00 0.00 0.01 0.00 0.00 54.97 57.38 1ig3 s GLU 199 Cb 0.17 -2.80 0.07 0.00 -4.31 0.00 0.00 34.13 27.26 1ig3 s GLU 199 CO 0.76 -0.54 0.49 0.41 0.01 0.00 0.00 175.26 176.39 1ig3 n GLY 200 N 0.63 0.68 0.18 -1.39 0.00 0.04 -4.08 105.19 101.24 1ig3 n GLY 200 Ca 0.03 -1.99 0.09 0.00 0.00 0.00 0.00 46.02 44.15 1ig3 n GLY 200 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ig3 h SER 201 N -0.30 0.00 -2.15 1.61 4.64 -1.93 -3.44 113.55 111.98 1ig3 h SER 201 Ca -0.16 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.64 1ig3 h SER 201 Cb 0.60 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.63 1ig3 h SER 201 CO 0.17 0.17 -0.55 -1.66 -0.87 0.00 0.00 176.83 174.09 1ig3 s TRP 202 N -3.14 2.95 0.30 4.77 1.48 -1.26 -4.40 118.94 119.64 1ig3 s TRP 202 Ca 0.05 -0.17 -0.17 0.00 -1.06 0.00 0.00 56.10 54.74 1ig3 s TRP 202 Cb 0.06 -1.39 0.02 0.00 -1.16 0.00 0.00 33.47 31.01 1ig3 s TRP 202 CO 0.71 0.51 0.67 0.00 -4.06 0.00 0.00 176.95 174.79 1ig3 s GLY 204 N -2.99 -0.29 -0.17 0.00 0.00 0.18 -1.12 107.32 102.93 1ig3 s GLY 204 Ca 0.15 0.31 -0.01 0.00 0.00 0.00 0.00 44.72 45.18 1ig3 s GLY 204 CO 0.09 0.08 -0.01 1.08 0.00 0.00 0.00 173.10 174.34 1ig3 s LEU 205 N -2.83 1.39 -0.26 0.66 1.43 -0.22 -1.70 118.68 117.15 1ig3 s LEU 205 Ca 0.10 -0.69 -0.04 0.00 -1.03 0.00 0.00 54.13 52.47 1ig3 s LEU 205 Cb -0.02 -0.74 0.02 0.00 0.03 0.00 0.00 46.19 45.48 1ig3 s LEU 205 CO -0.01 -0.24 -0.01 -0.63 0.23 0.00 0.00 176.35 175.70 1ig3 s ILE 206 N 1.75 3.33 -1.48 -0.59 -1.09 0.78 -2.31 121.20 121.59 1ig3 s ILE 206 Ca 0.00 -0.84 -0.09 0.00 -2.23 0.00 0.00 60.65 57.49 1ig3 s ILE 206 Cb -0.16 -2.68 0.02 0.00 -1.58 0.00 0.00 42.46 38.06 1ig3 s ILE 206 CO -0.07 0.18 2.56 -0.81 -1.23 0.00 0.00 174.94 175.57 1ig3 n PRO 207 N 4.76 3.80 -0.04 2.79 -0.04 -1.26 -1.18 135.00 143.82 1ig3 n PRO 207 Ca -0.16 -2.76 -0.08 0.00 -0.04 0.00 0.00 63.50 60.46 1ig3 n PRO 207 Cb 0.48 -2.85 -0.02 0.00 -0.04 0.00 0.00 33.50 31.07 1ig3 n PRO 207 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ig3 h VAL 208 N 3.14 0.59 0.22 0.52 2.07 -1.94 -3.33 116.25 117.52 1ig3 h VAL 208 Ca 0.73 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.91 1ig3 h VAL 208 Cb 0.39 0.59 0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1ig3 h VAL 208 CO 1.70 0.00 -1.50 1.23 0.02 0.00 0.00 177.57 179.02 1ig3 h GLY 209 N -0.13 0.54 -3.00 2.17 0.00 -1.88 -3.49 103.07 97.29 1ig3 h GLY 209 Ca 0.13 -1.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.06 1ig3 h GLY 209 CO -0.30 1.20 0.13 -0.86 0.00 0.00 0.00 176.54 176.70 1ig3 s GLN 210 N -2.61 1.23 0.43 4.80 -2.07 -1.25 -5.14 119.66 115.05 1ig3 s GLN 210 Ca -0.09 -0.55 -0.26 0.00 -1.82 0.00 0.00 55.36 52.63 1ig3 s GLN 210 Cb 0.05 0.55 -0.09 0.00 -1.09 0.00 0.00 33.01 32.43 1ig3 s GLN 210 CO 0.92 -0.52 1.42 -2.14 -1.32 0.00 0.00 175.29 173.64 1ig3 s PRO 211 N -3.77 3.83 -0.48 9.60 0.02 -1.26 -4.82 135.00 138.12 1ig3 s PRO 211 Ca 0.02 2.41 -0.14 0.00 0.02 0.00 0.00 61.00 63.31 1ig3 s PRO 211 Cb -0.00 -2.74 0.09 0.00 0.02 0.00 0.00 34.50 31.87 1ig3 s PRO 211 CO -0.12 -0.70 0.39 0.00 -0.33 0.00 0.00 177.00 176.24 1ig3 n ASN 213 N 5.12 0.39 -3.41 0.00 3.02 -1.26 -1.16 115.26 117.96 1ig3 n ASN 213 Ca -0.12 0.58 -0.20 0.00 -0.03 0.00 0.00 54.58 54.82 1ig3 n ASN 213 Cb 0.42 -0.67 -0.10 0.00 -0.61 0.00 0.00 39.78 38.83 1ig3 n ASN 213 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1ig3 s GLN 214 N -3.15 0.47 -0.09 3.52 0.74 -1.22 -4.07 119.66 115.86 1ig3 s GLN 214 Ca 0.07 -0.63 0.03 0.00 0.05 0.00 0.00 55.36 54.88 1ig3 s GLN 214 Cb 0.10 -0.82 -0.01 0.00 1.10 0.00 0.00 33.01 33.38 1ig3 s GLN 214 CO 0.38 -1.12 -0.20 0.08 -0.55 0.00 0.00 175.29 173.88 1ig3 s VAL 215 N 1.78 2.47 -0.04 1.34 1.01 0.45 -3.21 120.40 124.20 1ig3 s VAL 215 Ca 0.14 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1ig3 s VAL 215 Cb -0.16 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.28 1ig3 s VAL 215 CO -0.17 0.56 -0.05 -0.89 0.00 0.00 0.00 175.10 174.55 1ig3 s THR 216 N 0.07 0.53 0.15 3.92 2.01 -0.78 -1.44 115.64 120.10 1ig3 s THR 216 Ca -0.08 -0.13 0.02 0.00 0.31 0.00 0.00 61.69 61.81 1ig3 s THR 216 Cb -0.15 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 1ig3 s THR 216 CO 0.05 0.22 -0.04 0.42 -0.69 0.00 0.00 174.62 174.59 1ig3 s THR 217 N 0.88 0.79 0.04 -0.82 -4.23 -0.06 -0.81 115.64 111.43 1ig3 s THR 217 Ca -0.12 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 58.42 1ig3 s THR 217 Cb -0.14 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.72 1ig3 s THR 217 CO 0.00 -0.64 -0.05 0.42 -0.54 0.00 0.00 174.62 173.82 1ig3 s THR 218 N -3.57 0.36 0.00 3.99 -4.23 -0.95 -4.38 115.64 106.85 1ig3 s THR 218 Ca 0.19 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 1ig3 s THR 218 Cb 0.05 -0.81 0.00 0.00 1.34 0.00 0.00 72.50 73.08 1ig3 s THR 218 CO 0.01 -0.61 0.00 0.61 -0.54 0.00 0.00 174.62 174.09 1ig3 n GLY 219 N 1.04 0.63 3.73 3.99 0.00 -1.26 -1.82 105.19 111.51 1ig3 n GLY 219 Ca -0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 1ig3 n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ig3 s LEU 220 N 0.00 3.51 0.15 0.99 1.43 -1.26 -1.49 118.68 122.00 1ig3 s LEU 220 Ca 0.00 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.55 1ig3 s LEU 220 Cb 0.00 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1ig3 s LEU 220 CO 0.00 -0.02 1.48 0.50 0.23 0.00 0.00 176.35 178.55 1ig3 h LYS 221 N 1.70 0.92 -4.52 1.70 3.64 -0.92 -3.36 116.57 115.73 1ig3 h LYS 221 Ca -0.46 -0.48 -0.69 0.00 -1.27 0.00 0.00 60.65 57.74 1ig3 h LYS 221 Cb 1.24 0.02 -0.35 0.00 -0.41 0.00 0.00 32.23 32.73 1ig3 h LYS 221 CO 0.61 1.14 -0.57 -1.58 -2.27 0.00 0.00 179.45 176.77 1ig3 s TRP 222 N -4.38 3.62 0.50 1.91 0.51 -1.26 -5.04 118.94 114.79 1ig3 s TRP 222 Ca -0.11 -2.51 -0.05 0.00 -2.12 0.00 0.00 56.10 51.32 1ig3 s TRP 222 Cb 0.11 -3.18 -0.02 0.00 -0.81 0.00 0.00 33.47 29.57 1ig3 s TRP 222 CO 0.88 -0.97 0.79 -0.80 -0.51 0.00 0.00 176.95 176.34 1ig3 s ASN 223 N 1.69 6.08 -0.00 2.95 0.01 -1.26 -4.99 114.94 119.42 1ig3 s ASN 223 Ca 0.09 0.81 0.03 0.00 -0.71 0.00 0.00 52.86 53.08 1ig3 s ASN 223 Cb -0.22 -2.06 -0.03 0.00 0.41 0.00 0.00 41.25 39.34 1ig3 s ASN 223 CO -0.05 -0.68 -0.07 -0.76 -1.51 0.00 0.00 177.10 174.02 1ig3 s LEU 224 N -4.76 3.13 -0.28 0.60 2.01 -1.26 -4.96 118.68 113.15 1ig3 s LEU 224 Ca 0.49 -0.15 -0.02 0.00 0.01 0.00 0.00 54.13 54.46 1ig3 s LEU 224 Cb -0.10 -1.78 0.09 0.00 0.01 0.00 0.00 46.19 44.41 1ig3 s LEU 224 CO 0.44 0.29 0.10 0.42 1.01 0.00 0.00 176.35 178.61 1ig3 s THR 225 N -0.96 0.53 -1.59 5.49 -4.23 -1.21 -0.88 115.64 112.79 1ig3 s THR 225 Ca 0.16 -1.06 -0.11 0.00 -1.18 0.00 0.00 61.69 59.50 1ig3 s THR 225 Cb -0.11 -1.35 0.09 0.00 1.34 0.00 0.00 72.50 72.47 1ig3 s THR 225 CO 0.06 -0.61 0.59 0.59 -0.54 0.00 0.00 174.62 174.72 1ig3 n ASN 226 N 5.00 -1.89 -4.91 3.99 3.02 -0.56 -4.93 115.26 114.98 1ig3 n ASN 226 Ca -0.04 -1.04 -0.21 0.00 -0.03 0.00 0.00 54.58 53.25 1ig3 n ASN 226 Cb 0.43 -2.73 -0.03 0.00 -0.61 0.00 0.00 39.78 36.84 1ig3 n ASN 226 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1ig3 s ASP 227 N -3.75 5.96 -0.16 6.41 1.01 -0.52 -4.67 116.67 120.94 1ig3 s ASP 227 Ca 0.43 -0.08 -0.15 0.00 0.71 0.00 0.00 52.55 53.45 1ig3 s ASP 227 Cb -0.23 -1.63 -0.04 0.00 1.01 0.00 0.00 42.92 42.02 1ig3 s ASP 227 CO 0.92 -0.08 0.35 -0.69 0.21 0.00 0.00 175.17 175.89 1ig3 s VAL 228 N -2.06 5.26 -0.14 -1.27 1.01 -1.26 -0.41 120.40 121.54 1ig3 s VAL 228 Ca 0.34 0.66 0.01 0.00 0.00 0.00 0.00 61.98 62.99 1ig3 s VAL 228 Cb -0.08 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 1ig3 s VAL 228 CO 0.27 0.34 -0.16 -0.76 0.00 0.00 0.00 175.10 174.80 1ig3 s LEU 229 N 0.70 2.49 -0.18 3.92 1.43 -0.31 -4.58 118.68 122.14 1ig3 s LEU 229 Ca 0.19 -0.44 -0.28 0.00 -1.03 0.00 0.00 54.13 52.56 1ig3 s LEU 229 Cb -0.14 -1.55 0.11 0.00 0.03 0.00 0.00 46.19 44.64 1ig3 s LEU 229 CO 0.06 0.12 0.94 -0.83 0.23 0.00 0.00 176.35 176.87 1ig3 s GLY 230 N 0.58 -0.30 0.22 -3.19 0.00 0.88 -0.47 107.32 105.04 1ig3 s GLY 230 Ca -0.09 2.09 -0.31 0.00 0.00 0.00 0.00 44.72 46.41 1ig3 s GLY 230 CO 0.03 1.29 1.62 -1.36 0.00 0.00 0.00 173.10 174.69 1ig3 s PHE 231 N -0.65 2.92 0.00 1.90 0.40 -1.26 -0.34 117.98 120.95 1ig3 s PHE 231 Ca -0.02 0.60 0.00 0.00 -0.60 0.00 0.00 56.93 56.91 1ig3 s PHE 231 Cb -0.02 -4.03 0.00 0.00 0.51 0.00 0.00 43.02 39.48 1ig3 s PHE 231 CO 0.01 -3.73 0.00 0.41 0.70 0.00 0.00 175.22 172.61 1ig3 n GLY 232 N 3.25 2.04 0.68 4.36 0.00 -1.26 -4.80 105.19 109.46 1ig3 n GLY 232 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 1ig3 n GLY 232 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ig3 n THR 233 N -2.00 1.25 -3.56 2.61 -1.04 0.33 -5.08 114.28 106.79 1ig3 n THR 233 Ca 0.00 0.30 -0.01 0.00 -2.04 0.00 0.00 64.05 62.30 1ig3 n THR 233 Cb 0.00 -1.83 -0.05 0.00 -1.82 0.00 0.00 70.33 66.62 1ig3 n THR 233 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1ig3 s LEU 234 N -7.20 -0.66 -0.05 -4.42 2.96 0.54 -4.90 118.68 104.96 1ig3 s LEU 234 Ca -0.10 0.97 0.03 0.00 -0.22 0.00 0.00 54.13 54.81 1ig3 s LEU 234 Cb 0.01 1.85 0.01 0.00 0.50 0.00 0.00 46.19 48.56 1ig3 s LEU 234 CO 0.15 -0.14 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.23 1ig3 s VAL 235 N 1.94 1.01 -0.46 1.68 1.01 -1.26 -0.08 120.40 124.24 1ig3 s VAL 235 Ca -0.07 -0.44 -0.23 0.00 0.00 0.00 0.00 61.98 61.24 1ig3 s VAL 235 Cb -0.06 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 35.44 1ig3 s VAL 235 CO -0.17 0.32 0.76 -0.55 0.00 0.00 0.00 175.10 175.46 1ig3 s SER 236 N 0.43 6.38 0.10 3.32 0.15 -0.98 -4.99 113.70 118.11 1ig3 s SER 236 Ca -0.09 -0.19 0.04 0.00 0.70 0.00 0.00 55.95 56.41 1ig3 s SER 236 Cb -0.13 -2.37 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 1ig3 s SER 236 CO 0.02 -0.91 -0.10 0.42 1.20 0.00 0.00 173.24 173.87 1ig3 s THR 237 N 3.22 0.98 -1.54 6.45 -4.23 -1.26 -1.06 115.64 118.20 1ig3 s THR 237 Ca 0.28 -1.64 -0.05 0.00 -1.18 0.00 0.00 61.69 59.11 1ig3 s THR 237 Cb -0.13 -1.36 0.01 0.00 1.34 0.00 0.00 72.50 72.36 1ig3 s THR 237 CO 0.22 -0.54 0.51 -1.20 -0.54 0.00 0.00 174.62 173.07 1ig3 n SER 238 N 0.58 -5.76 -4.77 3.99 7.64 -1.23 -4.98 113.62 109.10 1ig3 n SER 238 Ca -0.16 -0.26 -0.27 0.00 1.01 0.00 0.00 58.87 59.19 1ig3 n SER 238 Cb 0.58 -4.68 0.10 0.00 -1.01 0.00 0.00 64.21 59.19 1ig3 n SER 238 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1ig3 s ASN 239 N -2.61 4.41 0.35 6.43 3.04 -0.27 -4.88 114.94 121.41 1ig3 s ASN 239 Ca 0.27 0.43 -0.05 0.00 0.04 0.00 0.00 52.86 53.56 1ig3 s ASN 239 Cb -0.13 -0.92 0.01 0.00 -1.54 0.00 0.00 41.25 38.68 1ig3 s ASN 239 CO 0.34 -1.89 0.54 0.28 -3.04 0.00 0.00 177.10 173.33 1ig3 s THR 240 N -3.43 0.00 0.31 -5.21 -1.32 -1.26 -1.88 115.64 102.85 1ig3 s THR 240 Ca 0.63 -1.47 -0.01 0.00 -1.21 0.00 0.00 61.69 59.63 1ig3 s THR 240 Cb -0.09 -2.68 -0.04 0.00 -1.51 0.00 0.00 72.50 68.18 1ig3 s THR 240 CO 0.47 0.00 0.52 -0.31 -2.21 0.00 0.00 174.62 173.09 1ig3 s TYR 241 N -2.91 3.49 -2.12 9.09 1.51 -1.26 -0.35 117.35 124.80 1ig3 s TYR 241 Ca 0.27 0.40 0.28 0.00 -1.01 0.00 0.00 57.07 57.01 1ig3 s TYR 241 Cb -0.01 -1.92 1.03 0.00 -0.11 0.00 0.00 41.96 40.95 1ig3 s TYR 241 CO 0.18 0.18 1.73 -0.40 -1.11 0.00 0.00 175.55 176.14 1ig3 n ASP 242 N -1.41 1.12 0.00 2.29 5.68 -0.56 -4.49 116.55 119.18 1ig3 n ASP 242 Ca -0.04 -1.15 0.00 0.00 -0.50 0.00 0.00 54.79 53.10 1ig3 n ASP 242 Cb 0.55 0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 1ig3 n ASP 242 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ig3 n GLY 243 N 1.23 0.74 0.22 6.12 0.00 -1.26 -4.94 105.19 107.30 1ig3 n GLY 243 Ca 0.17 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 1ig3 n GLY 243 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ig3 h SER 244 N 0.00 0.00 0.00 1.61 4.64 -1.91 -3.46 113.55 114.42 1ig3 h SER 244 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ig3 h SER 244 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ig3 h SER 244 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1ig3 n GLY 245 N 0.41 0.77 2.92 -0.77 0.00 -1.26 -5.03 105.19 102.22 1ig3 n GLY 245 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1ig3 n GLY 245 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ig3 s LEU 246 N 0.00 1.85 -0.06 0.99 2.96 -1.26 -2.02 118.68 121.15 1ig3 s LEU 246 Ca 0.00 0.06 0.03 0.00 -0.22 0.00 0.00 54.13 54.01 1ig3 s LEU 246 Cb 0.00 0.14 0.00 0.00 0.50 0.00 0.00 46.19 46.84 1ig3 s LEU 246 CO 0.00 -0.03 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.15 1ig3 s VAL 247 N -0.04 1.41 0.06 1.68 1.01 -0.39 -4.15 120.40 120.00 1ig3 s VAL 247 Ca -0.01 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 61.39 1ig3 s VAL 247 Cb -0.01 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1ig3 s VAL 247 CO 0.00 0.41 -0.24 0.42 0.00 0.00 0.00 175.10 175.70 1ig3 s THR 248 N 0.32 2.40 -0.05 3.92 -4.23 -0.75 0.15 115.64 117.39 1ig3 s THR 248 Ca -0.10 -1.41 -0.03 0.00 -1.18 0.00 0.00 61.69 58.97 1ig3 s THR 248 Cb -0.14 -1.99 0.03 0.00 1.34 0.00 0.00 72.50 71.74 1ig3 s THR 248 CO 0.04 0.29 0.11 -0.69 -0.54 0.00 0.00 174.62 173.83 1ig3 s VAL 249 N -0.91 -0.04 -0.10 2.29 1.01 -0.22 -2.25 120.40 120.18 1ig3 s VAL 249 Ca 0.13 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.28 1ig3 s VAL 249 Cb -0.10 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.09 1ig3 s VAL 249 CO 0.04 0.06 -0.22 -0.70 0.00 0.00 0.00 175.10 174.28 1ig3 s GLU 250 N 0.85 2.81 0.02 2.72 2.12 0.01 0.49 118.70 127.71 1ig3 s GLU 250 Ca -0.07 -0.79 0.01 0.00 0.36 0.00 0.00 54.97 54.48 1ig3 s GLU 250 Cb -0.09 -2.17 -0.02 0.00 0.26 0.00 0.00 34.13 32.12 1ig3 s GLU 250 CO -0.04 0.12 -0.04 -0.08 -0.54 0.00 0.00 175.26 174.68 1ig3 s THR 251 N 0.48 0.24 -0.29 -1.70 -1.32 -0.54 -1.87 115.64 110.63 1ig3 s THR 251 Ca -0.16 -0.77 0.23 0.00 -1.21 0.00 0.00 61.69 59.77 1ig3 s THR 251 Cb -0.17 -0.33 0.09 0.00 -1.51 0.00 0.00 72.50 70.58 1ig3 s THR 251 CO 0.06 -0.35 1.20 -2.24 -2.21 0.00 0.00 174.62 171.08 1ig3 h ASP 252 N 4.93 0.00 -4.87 8.08 2.03 -1.86 -1.02 116.42 123.70 1ig3 h ASP 252 Ca -0.32 -0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 55.71 1ig3 h ASP 252 Cb 1.21 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 39.56 1ig3 h ASP 252 CO 0.43 0.00 -0.64 -1.00 -1.03 0.00 0.00 179.24 177.00 1ig3 s HIS 253 N -3.32 1.21 0.13 4.15 3.76 -1.26 -4.76 115.29 115.20 1ig3 s HIS 253 Ca 0.02 -1.16 -0.34 0.00 -0.15 0.00 0.00 55.06 53.42 1ig3 s HIS 253 Cb 0.08 -0.68 -0.14 0.00 1.11 0.00 0.00 32.58 32.96 1ig3 s HIS 253 CO 0.76 -0.38 1.60 -2.30 -0.85 0.00 0.00 174.74 173.57 1ig3 n PRO 254 N -0.27 2.10 -4.22 8.40 -0.02 -1.26 -4.39 135.00 135.35 1ig3 n PRO 254 Ca -0.03 0.76 -0.25 0.00 -2.02 0.00 0.00 63.50 61.96 1ig3 n PRO 254 Cb 0.65 -2.53 -0.17 0.00 -0.02 0.00 0.00 33.50 31.43 1ig3 n PRO 254 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1ig3 s LEU 255 N 1.22 1.37 -0.24 2.45 2.96 -0.11 -4.71 118.68 121.62 1ig3 s LEU 255 Ca 0.80 -0.27 -0.27 0.00 -0.22 0.00 0.00 54.13 54.17 1ig3 s LEU 255 Cb -0.69 -0.77 0.01 0.00 0.50 0.00 0.00 46.19 45.23 1ig3 s LEU 255 CO 0.40 -0.05 0.96 -0.22 -1.32 0.00 0.00 176.35 176.12 1ig3 s LEU 256 N 1.18 4.08 0.00 -0.68 2.96 -0.32 -0.51 118.68 125.40 1ig3 s LEU 256 Ca -0.05 1.22 -0.19 0.00 -0.22 0.00 0.00 54.13 54.89 1ig3 s LEU 256 Cb -0.14 -3.41 -0.06 0.00 0.50 0.00 0.00 46.19 43.08 1ig3 s LEU 256 CO -0.02 -0.63 0.54 0.86 -1.32 0.00 0.00 176.35 175.78 1ig3 s TRP 257 N 3.10 3.70 0.03 5.38 -0.11 0.56 -0.16 118.94 131.44 1ig3 s TRP 257 Ca 0.41 1.14 0.02 0.00 1.22 0.00 0.00 56.10 58.89 1ig3 s TRP 257 Cb -0.15 -2.52 -0.02 0.00 -1.50 0.00 0.00 33.47 29.28 1ig3 s TRP 257 CO 0.07 0.43 -0.07 -0.08 -4.62 0.00 0.00 176.95 172.69 1ig3 s THR 258 N -0.45 0.48 0.02 5.86 -1.32 -0.69 -1.12 115.64 118.43 1ig3 s THR 258 Ca 0.29 -0.77 -0.19 0.00 -1.21 0.00 0.00 61.69 59.81 1ig3 s THR 258 Cb -0.18 -0.50 0.04 0.00 -1.51 0.00 0.00 72.50 70.34 1ig3 s THR 258 CO 0.16 -0.21 0.41 0.00 -2.21 0.00 0.00 174.62 172.77 1ig3 s MET 259 N -1.06 0.88 0.42 7.08 0.23 -0.77 -0.65 119.30 125.43 1ig3 s MET 259 Ca -0.06 -0.28 -0.22 0.00 -1.03 0.00 0.00 55.69 54.10 1ig3 s MET 259 Cb -0.07 0.40 -0.11 0.00 -1.53 0.00 0.00 34.83 33.52 1ig3 s MET 259 CO 0.00 -0.29 0.96 0.00 -2.03 0.00 0.00 175.02 173.66 1ig3 s ALA 260 N -2.15 3.06 -0.14 3.16 0.00 -0.12 -1.65 121.76 123.93 1ig3 s ALA 260 Ca -0.07 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.32 1ig3 s ALA 260 Cb -0.02 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 1ig3 s ALA 260 CO -0.00 0.11 -0.12 0.42 0.00 0.00 0.00 175.76 176.17 1ig3 s ILE 261 N -2.07 3.17 0.58 0.00 1.01 0.98 -0.78 121.20 124.08 1ig3 s ILE 261 Ca 0.60 -0.62 -0.19 0.00 0.00 0.00 0.00 60.65 60.44 1ig3 s ILE 261 Cb -0.11 -2.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 1ig3 s ILE 261 CO 0.15 0.52 1.05 1.17 0.00 0.00 0.00 174.94 177.83 1ig3 n LYS 262 N 3.57 1.07 -0.92 2.79 4.81 0.62 -4.57 118.16 125.54 1ig3 n LYS 262 Ca -0.18 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1ig3 n LYS 262 Cb 0.53 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.34 1ig3 n LYS 262 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02