#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ig4 h SER 3 N 0.00 0.30 -1.00 3.14 4.64 -1.80 -0.04 113.55 118.79 3ig4 h SER 3 Ca 0.00 0.13 0.18 0.00 -0.47 0.00 0.00 61.79 61.63 3ig4 h SER 3 Cb 0.00 0.11 -0.10 0.00 -0.31 0.00 0.00 62.40 62.09 3ig4 h SER 3 CO 0.00 -0.13 0.61 0.50 -0.87 0.00 0.00 176.83 176.94 3ig4 h LYS 4 N 0.16 0.77 -0.22 4.77 3.64 -1.91 -0.55 116.57 123.23 3ig4 h LYS 4 Ca 0.77 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 60.14 3ig4 h LYS 4 Cb 2.28 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 33.89 3ig4 h LYS 4 CO -0.41 0.51 -0.01 0.35 -2.27 0.00 0.00 179.45 177.61 3ig4 h PHE 5 N 0.79 -0.04 -0.31 1.91 3.57 -1.41 -1.84 116.94 119.61 3ig4 h PHE 5 Ca 0.57 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.94 3ig4 h PHE 5 Cb 0.84 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 3ig4 h PHE 5 CO -0.01 -0.05 -0.39 0.74 -2.23 0.00 0.00 178.31 176.37 3ig4 h PHE 6 N 0.05 0.89 -0.63 0.41 0.04 -1.30 -2.52 116.94 113.88 3ig4 h PHE 6 Ca 0.11 -0.26 0.02 0.00 2.80 0.00 0.00 57.97 60.63 3ig4 h PHE 6 Cb 0.14 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.07 3ig4 h PHE 6 CO -0.20 1.02 0.40 0.00 -0.60 0.00 0.00 178.31 178.93 3ig4 h ALA 7 N 0.94 0.80 -0.25 2.45 0.00 -0.96 -1.61 119.26 120.64 3ig4 h ALA 7 Ca 0.05 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3ig4 h ALA 7 Cb 0.94 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3ig4 h ALA 7 CO 0.09 0.18 -0.17 1.96 0.00 0.00 0.00 179.25 181.30 3ig4 h GLN 8 N 0.80 0.44 -0.54 0.00 4.20 -1.21 -1.05 115.11 117.75 3ig4 h GLN 8 Ca 0.24 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 3ig4 h GLN 8 Cb -0.04 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 3ig4 h GLN 8 CO -0.08 0.60 0.24 -0.91 -0.67 0.00 0.00 178.83 178.01 3ig4 h ASN 9 N 0.40 0.69 -0.20 1.46 2.35 -0.97 -0.65 115.58 118.67 3ig4 h ASN 9 Ca 0.07 -0.07 -0.20 0.00 -0.55 0.00 0.00 56.30 55.54 3ig4 h ASN 9 Cb 0.54 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3ig4 h ASN 9 CO 0.03 0.61 -0.66 0.03 -1.65 0.00 0.00 177.43 175.79 3ig4 h ARG 10 N 0.76 0.82 -0.34 0.81 3.08 -0.35 -0.54 114.38 118.62 3ig4 h ARG 10 Ca 0.19 -0.59 0.05 0.00 0.07 0.00 0.00 59.98 59.70 3ig4 h ARG 10 Cb 0.12 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 3ig4 h ARG 10 CO -0.02 1.21 0.09 0.93 -1.07 0.00 0.00 179.97 181.10 3ig4 h GLU 11 N 0.59 0.21 -0.65 0.04 5.08 -0.75 0.18 114.58 119.30 3ig4 h GLU 11 Ca -0.02 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3ig4 h GLU 11 Cb 1.27 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 3ig4 h GLU 11 CO 0.14 0.14 0.22 0.00 -1.00 0.00 0.00 179.01 178.50 3ig4 h ARG 12 N 0.22 0.99 -0.42 2.33 3.08 -0.97 -2.41 114.38 117.21 3ig4 h ARG 12 Ca 0.16 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3ig4 h ARG 12 Cb 0.16 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3ig4 h ARG 12 CO -0.19 0.86 0.27 1.25 -1.07 0.00 0.00 179.97 181.09 3ig4 h LEU 13 N 0.93 0.48 -0.92 3.04 5.85 -0.53 -2.59 115.31 121.57 3ig4 h LEU 13 Ca 0.21 -0.03 0.14 0.00 0.84 0.00 0.00 57.88 59.04 3ig4 h LEU 13 Cb 0.27 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.09 3ig4 h LEU 13 CO -0.01 0.37 0.54 0.58 -0.34 0.00 0.00 178.44 179.58 3ig4 h VAL 14 N 0.56 0.82 0.00 1.05 2.07 -0.24 0.37 116.25 120.87 3ig4 h VAL 14 Ca 0.15 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3ig4 h VAL 14 Cb -0.05 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.67 3ig4 h VAL 14 CO -0.03 0.15 0.00 0.59 0.02 0.00 0.00 177.57 178.29 3ig4 n ASN 15 N -4.75 0.02 -0.18 0.57 3.02 -0.94 -2.27 115.26 110.73 3ig4 n ASN 15 Ca 0.18 0.51 0.10 0.00 -0.03 0.00 0.00 54.58 55.34 3ig4 n ASN 15 Cb 0.41 -0.51 -0.08 0.00 -0.61 0.00 0.00 39.78 38.99 3ig4 n ASN 15 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3ig4 n THR 16 N -1.52 0.00 -3.99 3.41 -2.24 0.11 -4.95 114.28 105.09 3ig4 n THR 16 Ca 0.03 -0.09 -0.34 0.00 -2.27 0.00 0.00 64.05 61.38 3ig4 n THR 16 Cb 0.17 1.09 -0.06 0.00 -2.10 0.00 0.00 70.33 69.43 3ig4 n THR 16 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3ig4 s LEU 17 N -2.81 4.16 0.94 3.22 1.43 -0.96 -5.09 118.68 119.57 3ig4 s LEU 17 Ca 0.12 0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 3ig4 s LEU 17 Cb 0.17 -2.36 0.16 0.00 0.03 0.00 0.00 46.19 44.19 3ig4 s LEU 17 CO 0.76 0.30 1.09 -2.16 0.23 0.00 0.00 176.35 176.57 3ig4 s PRO 18 N -1.65 0.84 0.72 1.29 0.04 -1.26 -5.00 135.00 129.98 3ig4 s PRO 18 Ca 0.23 1.06 -0.11 0.00 0.04 0.00 0.00 61.00 62.21 3ig4 s PRO 18 Cb -0.12 -1.74 0.02 0.00 0.04 0.00 0.00 34.50 32.70 3ig4 s PRO 18 CO 0.14 -2.60 1.10 0.34 0.04 0.00 0.00 177.00 176.02 3ig4 s ASP 19 N -3.03 5.32 -1.22 6.66 2.15 -1.26 -4.25 116.67 121.04 3ig4 s ASP 19 Ca 0.65 1.14 -0.01 0.00 0.43 0.00 0.00 52.55 54.76 3ig4 s ASP 19 Cb -0.21 -1.92 0.00 0.00 -0.30 0.00 0.00 42.92 40.50 3ig4 s ASP 19 CO 0.59 -1.42 1.00 -0.62 -0.17 0.00 0.00 175.17 174.54 3ig4 n GLU 20 N -3.06 -6.65 -3.88 4.34 -0.58 0.82 -5.00 120.64 106.63 3ig4 n GLU 20 Ca 0.07 0.84 -0.10 0.00 -0.42 0.00 0.00 57.16 57.54 3ig4 n GLU 20 Cb 0.57 -5.84 -0.09 0.00 -0.57 0.00 0.00 31.44 25.51 3ig4 n GLU 20 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3ig4 s SER 21 N -4.27 0.07 0.02 1.62 1.04 -0.80 -4.16 113.70 107.22 3ig4 s SER 21 Ca 0.05 -0.36 0.09 0.00 0.48 0.00 0.00 55.95 56.20 3ig4 s SER 21 Cb -0.02 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 3ig4 s SER 21 CO 0.73 -0.48 -0.26 -0.51 0.98 0.00 0.00 173.24 173.70 3ig4 s ILE 22 N -2.20 2.11 -0.05 -1.02 2.07 0.06 -1.43 121.20 120.73 3ig4 s ILE 22 Ca -0.08 -1.27 0.05 0.00 -1.41 0.00 0.00 60.65 57.93 3ig4 s ILE 22 Cb -0.03 -1.78 -0.00 0.00 0.13 0.00 0.00 42.46 40.77 3ig4 s ILE 22 CO -0.02 0.45 -0.19 -0.89 -1.91 0.00 0.00 174.94 172.38 3ig4 s THR 23 N -0.73 1.61 -0.05 4.00 2.01 -0.17 -0.41 115.64 121.91 3ig4 s THR 23 Ca 0.11 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.33 3ig4 s THR 23 Cb -0.10 -1.38 0.00 0.00 0.01 0.00 0.00 72.50 71.03 3ig4 s THR 23 CO 0.01 0.46 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.62 3ig4 s ILE 24 N 0.02 1.29 0.06 1.82 1.01 -0.60 -0.53 121.20 124.27 3ig4 s ILE 24 Ca -0.05 -0.61 0.09 0.00 0.00 0.00 0.00 60.65 60.07 3ig4 s ILE 24 Cb -0.13 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 3ig4 s ILE 24 CO 0.03 0.38 -0.24 -0.76 0.00 0.00 0.00 174.94 174.36 3ig4 s LEU 25 N 0.28 2.20 -0.12 2.97 1.43 -0.14 -4.13 118.68 121.15 3ig4 s LEU 25 Ca -0.08 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 52.45 3ig4 s LEU 25 Cb -0.13 -1.11 -0.00 0.00 0.03 0.00 0.00 46.19 44.98 3ig4 s LEU 25 CO 0.03 0.19 -0.20 -0.36 0.23 0.00 0.00 176.35 176.24 3ig4 s PHE 26 N -0.86 2.67 0.34 0.29 0.08 -1.26 -1.43 117.98 117.80 3ig4 s PHE 26 Ca 0.10 -0.97 0.02 0.00 0.12 0.00 0.00 56.93 56.20 3ig4 s PHE 26 Cb -0.09 -1.78 0.59 0.00 -0.57 0.00 0.00 43.02 41.16 3ig4 s PHE 26 CO 0.03 -0.39 1.94 0.00 -0.10 0.00 0.00 175.22 176.70 3ig4 h ALA 27 N 6.86 1.44 0.00 5.36 0.00 -1.69 -3.46 119.26 127.77 3ig4 h ALA 27 Ca -0.24 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3ig4 h ALA 27 Cb 1.22 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3ig4 h ALA 27 CO 0.52 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.62 3ig4 n GLY 28 N -1.18 -0.40 3.36 0.00 0.00 -1.26 -4.17 105.19 101.53 3ig4 n GLY 28 Ca 0.04 -1.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.05 3ig4 n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ig4 s GLN 29 N -1.25 1.37 0.22 1.61 1.11 -1.26 -1.32 119.66 120.15 3ig4 s GLN 29 Ca 0.00 -1.55 -0.30 0.00 0.01 0.00 0.00 55.36 53.52 3ig4 s GLN 29 Cb 0.00 -1.32 -0.09 0.00 -1.01 0.00 0.00 33.01 30.59 3ig4 s GLN 29 CO 0.00 0.24 1.31 0.00 0.01 0.00 0.00 175.29 176.86 3ig4 s ALA 30 N -2.53 3.53 0.74 6.09 0.00 -1.26 -4.95 121.76 123.37 3ig4 s ALA 30 Ca 0.21 1.14 -0.12 0.00 0.00 0.00 0.00 51.96 53.19 3ig4 s ALA 30 Cb -0.03 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.64 3ig4 s ALA 30 CO 0.08 -0.55 1.10 -1.25 0.00 0.00 0.00 175.76 175.14 3ig4 s PRO 31 N -0.37 2.41 1.12 0.00 0.04 -1.26 -4.80 135.00 132.15 3ig4 s PRO 31 Ca 0.56 1.25 -0.13 0.00 0.04 0.00 0.00 61.00 62.72 3ig4 s PRO 31 Cb -0.37 -1.91 0.26 0.00 0.04 0.00 0.00 34.50 32.51 3ig4 s PRO 31 CO 0.40 -1.53 1.05 -1.58 0.04 0.00 0.00 177.00 175.38 3ig4 s HIS 32 N -2.71 1.61 -0.06 0.56 5.65 -1.26 -1.83 115.29 117.25 3ig4 s HIS 32 Ca 0.63 1.08 -0.13 0.00 0.25 0.00 0.00 55.06 56.89 3ig4 s HIS 32 Cb -0.18 -3.16 -0.05 0.00 -1.18 0.00 0.00 32.58 28.01 3ig4 s HIS 32 CO 0.51 -3.58 0.34 0.45 -0.65 0.00 0.00 174.74 171.81 3ig4 s SER 34 N -2.86 6.65 0.79 9.88 0.15 -0.99 -4.66 113.70 122.65 3ig4 s SER 34 Ca 0.67 0.77 0.00 0.00 0.70 0.00 0.00 55.95 58.10 3ig4 s SER 34 Cb -0.23 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 3ig4 s SER 34 CO 0.62 0.28 0.00 0.00 1.20 0.00 0.00 173.24 175.34 3ig4 n ALA 35 N 2.28 0.00 1.65 5.45 0.00 -1.26 -0.55 120.51 128.08 3ig4 n ALA 35 Ca -0.14 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.43 3ig4 n ALA 35 Cb 0.53 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.59 3ig4 n ALA 35 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ig4 n ASP 36 N 1.89 0.91 -4.83 0.00 5.75 -1.26 -4.86 116.55 114.15 3ig4 n ASP 36 Ca 0.00 -1.40 -0.36 0.00 -0.01 0.00 0.00 54.79 53.03 3ig4 n ASP 36 Cb 0.00 -0.02 -0.06 0.00 -1.03 0.00 0.00 41.12 40.01 3ig4 n ASP 36 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ig4 s ALA 37 N -1.96 3.55 0.30 2.12 0.00 0.28 -5.10 121.76 120.96 3ig4 s ALA 37 Ca 0.38 -0.05 0.09 0.00 0.00 0.00 0.00 51.96 52.37 3ig4 s ALA 37 Cb 0.19 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 3ig4 s ALA 37 CO 0.31 0.42 0.10 -1.01 0.00 0.00 0.00 175.76 175.58 3ig4 s HIS 38 N -1.42 2.76 0.94 0.00 3.76 -1.26 -2.35 115.29 117.73 3ig4 s HIS 38 Ca 0.37 -0.28 -0.12 0.00 -0.15 0.00 0.00 55.06 54.88 3ig4 s HIS 38 Cb -0.16 -1.44 0.16 0.00 1.11 0.00 0.00 32.58 32.25 3ig4 s HIS 38 CO 0.19 0.47 1.09 0.71 -0.85 0.00 0.00 174.74 176.35 3ig4 s TYR 39 N -2.35 2.17 0.34 1.40 2.02 -0.76 -4.93 117.35 115.24 3ig4 s TYR 39 Ca 0.35 1.19 -0.29 0.00 -0.37 0.00 0.00 57.07 57.95 3ig4 s TYR 39 Cb -0.05 -3.19 -0.11 0.00 -0.40 0.00 0.00 41.96 38.21 3ig4 s TYR 39 CO 0.22 -2.65 1.49 0.15 -1.57 0.00 0.00 175.55 173.19 3ig4 s LYS 40 N -4.91 4.16 0.20 -0.62 1.02 -1.26 -4.73 119.74 113.60 3ig4 s LYS 40 Ca 0.64 2.51 -0.30 0.00 0.02 0.00 0.00 55.97 58.83 3ig4 s LYS 40 Cb -0.19 -3.01 -0.09 0.00 -0.52 0.00 0.00 37.83 34.02 3ig4 s LYS 40 CO 0.58 -0.50 1.42 0.12 -0.92 0.00 0.00 175.35 176.04 3ig4 s PHE 41 N -0.75 3.12 -0.28 3.18 5.36 -1.26 -4.88 117.98 122.47 3ig4 s PHE 41 Ca 0.55 1.00 0.03 0.00 -0.96 0.00 0.00 56.93 57.55 3ig4 s PHE 41 Cb -0.46 -3.76 0.07 0.00 -0.34 0.00 0.00 43.02 38.54 3ig4 s PHE 41 CO 0.56 -2.54 -0.05 0.08 -1.46 0.00 0.00 175.22 171.81 3ig4 s VAL 42 N 0.40 2.07 0.18 3.12 1.01 -1.26 -5.08 120.40 120.84 3ig4 s VAL 42 Ca 0.61 -1.78 -0.33 0.00 0.00 0.00 0.00 61.98 60.49 3ig4 s VAL 42 Cb -0.40 -2.31 -0.15 0.00 0.00 0.00 0.00 36.38 33.52 3ig4 s VAL 42 CO 0.38 -0.22 1.31 -2.65 0.00 0.00 0.00 175.10 173.91 3ig4 n PRO 43 N 4.43 1.52 -1.96 2.72 -0.02 -1.26 -4.84 135.00 135.58 3ig4 n PRO 43 Ca -0.08 0.54 -0.43 0.00 -2.02 0.00 0.00 63.50 61.51 3ig4 n PRO 43 Cb 0.42 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 3ig4 n PRO 43 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3ig4 s ASN 44 N 0.25 5.88 0.25 2.55 3.84 -1.26 -4.90 114.94 121.56 3ig4 s ASN 44 Ca 0.74 1.39 -0.03 0.00 0.21 0.00 0.00 52.86 55.17 3ig4 s ASN 44 Cb -0.79 -2.52 0.51 0.00 -0.55 0.00 0.00 41.25 37.89 3ig4 s ASN 44 CO 0.49 -1.70 1.69 0.03 -2.79 0.00 0.00 177.10 174.82 3ig4 h ARG 45 N 12.96 0.30 -0.49 0.43 2.47 -1.94 0.23 114.38 128.34 3ig4 h ARG 45 Ca -0.35 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.34 3ig4 h ARG 45 Cb 1.18 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.40 3ig4 h ARG 45 CO 1.02 0.20 0.24 -0.91 0.56 0.00 0.00 179.97 181.08 3ig4 h ASN 46 N 0.31 0.64 -0.15 7.04 2.35 -1.98 0.38 115.58 124.17 3ig4 h ASN 46 Ca 0.44 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 56.07 3ig4 h ASN 46 Cb 0.76 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 3ig4 h ASN 46 CO -0.50 0.59 0.07 0.15 -1.65 0.00 0.00 177.43 176.08 3ig4 h PHE 47 N 0.65 0.12 -0.35 1.19 3.57 -1.16 -2.31 116.94 118.66 3ig4 h PHE 47 Ca 0.17 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3ig4 h PHE 47 Cb 0.11 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3ig4 h PHE 47 CO -0.01 0.07 0.15 -0.92 -2.23 0.00 0.00 178.31 175.38 3ig4 h TYR 48 N 0.15 0.52 -0.51 0.41 5.03 -0.36 -0.59 116.97 121.61 3ig4 h TYR 48 Ca 0.06 -0.03 0.15 0.00 2.58 0.00 0.00 58.73 61.49 3ig4 h TYR 48 Cb 0.02 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.12 3ig4 h TYR 48 CO -0.10 0.46 0.40 -0.92 -1.32 0.00 0.00 178.16 176.69 3ig4 h TYR 49 N 0.42 0.00 0.01 -3.82 3.20 -0.03 0.23 116.97 116.99 3ig4 h TYR 49 Ca 0.12 0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.64 3ig4 h TYR 49 Cb 0.15 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.36 3ig4 h TYR 49 CO -0.01 0.00 -2.19 0.28 -1.64 0.00 0.00 178.16 174.60 3ig4 n VAL 50 N -4.22 1.49 -0.03 1.81 0.31 -0.77 -4.63 118.33 112.29 3ig4 n VAL 50 Ca 0.09 -0.79 -0.01 0.00 -0.01 0.00 0.00 64.34 63.62 3ig4 n VAL 50 Cb 0.62 -0.83 -0.06 0.00 -0.91 0.00 0.00 33.84 32.65 3ig4 n VAL 50 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3ig4 n THR 51 N -2.95 0.33 -1.05 2.52 -2.24 -0.30 -4.70 114.28 105.89 3ig4 n THR 51 Ca -0.30 -0.28 -0.02 0.00 -2.27 0.00 0.00 64.05 61.18 3ig4 n THR 51 Cb 1.10 -0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 68.94 3ig4 n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ig4 n GLY 52 N 2.34 0.53 3.58 3.38 0.00 0.78 -3.94 105.19 111.87 3ig4 n GLY 52 Ca -0.09 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 3ig4 n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ig4 s ILE 53 N -1.98 4.41 -0.22 -0.61 -1.09 -1.26 -4.79 121.20 115.66 3ig4 s ILE 53 Ca 0.00 -0.17 0.13 0.00 -2.23 0.00 0.00 60.65 58.38 3ig4 s ILE 53 Cb 0.00 -2.96 0.48 0.00 -1.58 0.00 0.00 42.46 38.40 3ig4 s ILE 53 CO 0.00 0.48 1.39 -0.90 -1.23 0.00 0.00 174.94 174.68 3ig4 n ASP 54 N 3.47 2.96 -4.43 3.58 5.75 -1.26 -4.49 116.55 122.13 3ig4 n ASP 54 Ca -0.17 -3.40 -0.24 0.00 -0.01 0.00 0.00 54.79 50.97 3ig4 n ASP 54 Cb 0.52 -0.57 -0.11 0.00 -1.03 0.00 0.00 41.12 39.94 3ig4 n ASP 54 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3ig4 s GLU 55 N -3.04 1.57 0.52 0.11 2.02 -1.26 -4.77 118.70 113.85 3ig4 s GLU 55 Ca 0.42 -1.65 -0.19 0.00 0.02 0.00 0.00 54.97 53.56 3ig4 s GLU 55 Cb 0.36 -1.70 -0.07 0.00 0.10 0.00 0.00 34.13 32.82 3ig4 s GLU 55 CO 0.03 0.33 1.06 -1.25 0.02 0.00 0.00 175.26 175.46 3ig4 s PRO 56 N -3.20 3.60 0.00 0.39 0.04 -1.26 -4.38 135.00 130.19 3ig4 s PRO 56 Ca 0.25 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.69 3ig4 s PRO 56 Cb -0.06 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3ig4 s PRO 56 CO 0.12 -0.61 0.00 0.09 0.04 0.00 0.00 177.00 176.64 3ig4 n ASN 57 N -1.25 -1.71 -4.86 6.66 3.02 -0.43 -4.93 115.26 111.76 3ig4 n ASN 57 Ca 0.10 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.33 3ig4 n ASN 57 Cb 0.52 -0.29 -0.02 0.00 -0.61 0.00 0.00 39.78 39.39 3ig4 n ASN 57 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ig4 s VAL 58 N -2.57 4.64 -0.00 2.41 1.01 -1.26 -4.75 120.40 119.87 3ig4 s VAL 58 Ca 0.00 0.98 0.04 0.00 0.00 0.00 0.00 61.98 63.00 3ig4 s VAL 58 Cb 0.00 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 3ig4 s VAL 58 CO 0.00 -0.81 -0.13 -0.63 0.00 0.00 0.00 175.10 173.53 3ig4 s ILE 59 N -2.77 1.02 0.50 2.22 1.01 -0.56 -1.82 121.20 120.81 3ig4 s ILE 59 Ca 0.56 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.63 3ig4 s ILE 59 Cb -0.10 -0.86 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 3ig4 s ILE 59 CO 0.39 0.25 0.00 0.12 0.00 0.00 0.00 174.94 175.71 3ig4 s PHE 60 N -0.36 1.91 -0.30 3.97 5.36 -0.52 -0.71 117.98 127.33 3ig4 s PHE 60 Ca 0.05 -0.94 -0.16 0.00 -0.96 0.00 0.00 56.93 54.91 3ig4 s PHE 60 Cb -0.05 -1.62 0.18 0.00 -0.34 0.00 0.00 43.02 41.18 3ig4 s PHE 60 CO -0.00 0.24 1.17 -1.17 -1.46 0.00 0.00 175.22 174.00 3ig4 s LEU 62 N -3.87 -0.23 -0.18 6.12 0.20 0.31 -0.97 118.68 120.07 3ig4 s LEU 62 Ca 0.08 0.18 -0.13 0.00 0.69 0.00 0.00 54.13 54.95 3ig4 s LEU 62 Cb 0.02 1.21 -0.05 0.00 -0.43 0.00 0.00 46.19 46.95 3ig4 s LEU 62 CO 0.04 -0.04 0.26 -0.54 -0.29 0.00 0.00 176.35 175.78 3ig4 s LYS 63 N 2.80 4.22 -0.30 1.98 1.02 0.16 -1.00 119.74 128.62 3ig4 s LYS 63 Ca -0.05 0.01 0.02 0.00 0.02 0.00 0.00 55.97 55.97 3ig4 s LYS 63 Cb -0.08 -3.45 0.09 0.00 -0.52 0.00 0.00 37.83 33.87 3ig4 s LYS 63 CO -0.10 0.20 0.03 0.21 -0.92 0.00 0.00 175.35 174.77 3ig4 s LYS 64 N 0.61 1.34 -0.04 1.68 2.20 -0.52 -0.98 119.74 124.03 3ig4 s LYS 64 Ca 0.14 -1.42 -0.01 0.00 -0.36 0.00 0.00 55.97 54.32 3ig4 s LYS 64 Cb -0.13 -2.71 0.03 0.00 -1.51 0.00 0.00 37.83 33.51 3ig4 s LYS 64 CO 0.03 -0.85 0.08 -0.06 -0.36 0.00 0.00 175.35 174.19 3ig4 s PHE 65 N 1.22 -0.04 0.00 4.03 0.08 -1.03 -0.12 117.98 122.12 3ig4 s PHE 65 Ca 0.06 0.29 0.00 0.00 0.12 0.00 0.00 56.93 57.39 3ig4 s PHE 65 Cb -0.19 -0.23 0.00 0.00 -0.57 0.00 0.00 43.02 42.03 3ig4 s PHE 65 CO -0.12 -0.14 0.00 0.41 -0.10 0.00 0.00 175.22 175.27 3ig4 n GLY 66 N 4.44 4.04 0.48 4.36 0.00 -1.26 -0.20 105.19 117.05 3ig4 n GLY 66 Ca -0.22 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.02 3ig4 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ig4 n ASN 67 N 7.41 1.85 -4.84 1.61 3.02 -1.26 -4.93 115.26 118.12 3ig4 n ASN 67 Ca 0.00 -1.41 -0.32 0.00 -0.03 0.00 0.00 54.58 52.82 3ig4 n ASN 67 Cb 0.00 0.31 -0.04 0.00 -0.61 0.00 0.00 39.78 39.45 3ig4 n ASN 67 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3ig4 s SER 68 N -2.41 6.63 -0.13 6.41 0.01 0.72 -5.08 113.70 119.85 3ig4 s SER 68 Ca 0.22 1.60 -0.04 0.00 1.31 0.00 0.00 55.95 59.04 3ig4 s SER 68 Cb 0.19 -2.51 0.06 0.00 0.21 0.00 0.00 66.02 63.97 3ig4 s SER 68 CO 0.52 -0.58 0.22 -0.69 0.41 0.00 0.00 173.24 173.11 3ig4 s VAL 69 N -2.55 -0.34 -0.17 3.43 1.01 -1.26 -2.46 120.40 118.05 3ig4 s VAL 69 Ca 0.60 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.83 3ig4 s VAL 69 Cb -0.10 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 35.87 3ig4 s VAL 69 CO 0.29 0.07 -0.20 -1.61 0.00 0.00 0.00 175.10 173.65 3ig4 s GLU 70 N 2.36 3.01 -0.02 2.72 2.02 -0.15 -4.98 118.70 123.65 3ig4 s GLU 70 Ca 0.03 -0.83 -0.00 0.00 0.02 0.00 0.00 54.97 54.18 3ig4 s GLU 70 Cb -0.13 -2.55 -0.04 0.00 0.10 0.00 0.00 34.13 31.52 3ig4 s GLU 70 CO -0.08 -0.16 0.06 -1.21 0.02 0.00 0.00 175.26 173.88 3ig4 s GLU 71 N 1.18 3.00 -0.05 1.61 2.02 -1.26 -0.67 118.70 124.53 3ig4 s GLU 71 Ca 0.02 -0.49 -0.07 0.00 0.02 0.00 0.00 54.97 54.45 3ig4 s GLU 71 Cb -0.14 -2.82 0.01 0.00 0.10 0.00 0.00 34.13 31.29 3ig4 s GLU 71 CO -0.10 0.65 0.17 0.99 0.02 0.00 0.00 175.26 176.99 3ig4 s THR 72 N -1.13 0.02 -0.04 3.63 2.01 -1.26 -4.32 115.64 114.56 3ig4 s THR 72 Ca 0.21 -0.17 0.04 0.00 0.31 0.00 0.00 61.69 62.07 3ig4 s THR 72 Cb -0.12 -0.31 -0.03 0.00 0.01 0.00 0.00 72.50 72.06 3ig4 s THR 72 CO 0.11 -0.10 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.05 3ig4 s LEU 73 N -0.29 2.76 -0.28 4.42 1.43 -0.56 -4.42 118.68 121.75 3ig4 s LEU 73 Ca -0.04 -0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 3ig4 s LEU 73 Cb -0.03 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.65 3ig4 s LEU 73 CO 0.01 0.33 -0.01 -0.36 0.23 0.00 0.00 176.35 176.55 3ig4 s PHE 74 N -0.77 3.16 0.45 0.29 0.08 0.11 -0.08 117.98 121.22 3ig4 s PHE 74 Ca 0.12 -1.58 0.07 0.00 0.12 0.00 0.00 56.93 55.67 3ig4 s PHE 74 Cb -0.11 -2.12 -0.00 0.00 -0.57 0.00 0.00 43.02 40.23 3ig4 s PHE 74 CO 0.02 -0.73 0.42 0.96 -0.10 0.00 0.00 175.22 175.78 3ig4 s ILE 75 N 1.33 2.43 0.46 0.64 -4.36 0.44 -1.49 121.20 120.63 3ig4 s ILE 75 Ca -0.02 -1.34 -0.21 0.00 -0.26 0.00 0.00 60.65 58.82 3ig4 s ILE 75 Cb -0.18 -2.77 -0.10 0.00 1.25 0.00 0.00 42.46 40.66 3ig4 s ILE 75 CO -0.02 0.00 1.00 -1.61 0.24 0.00 0.00 174.94 174.55 3ig4 s GLU 76 N -4.20 4.00 0.56 0.37 0.41 -1.26 -0.83 118.70 117.75 3ig4 s GLU 76 Ca 0.47 1.27 -0.15 0.00 -0.41 0.00 0.00 54.97 56.15 3ig4 s GLU 76 Cb -0.03 -2.16 -0.06 0.00 -1.78 0.00 0.00 34.13 30.10 3ig4 s GLU 76 CO 0.27 -0.24 1.01 0.15 -0.49 0.00 0.00 175.26 175.96 3ig4 s LYS 77 N -3.15 3.69 0.31 1.61 1.02 -1.26 -4.93 119.74 117.04 3ig4 s LYS 77 Ca 0.64 0.97 -0.29 0.00 0.02 0.00 0.00 55.97 57.32 3ig4 s LYS 77 Cb -0.14 -2.09 -0.10 0.00 -0.52 0.00 0.00 37.83 34.98 3ig4 s LYS 77 CO 0.18 -0.49 1.18 -1.54 -0.92 0.00 0.00 175.35 173.76 3ig4 s SER 78 N -3.25 7.00 -0.36 2.83 1.04 -1.26 -5.02 113.70 114.67 3ig4 s SER 78 Ca 0.59 2.43 0.01 0.00 0.48 0.00 0.00 55.95 59.47 3ig4 s SER 78 Cb -0.12 -2.63 0.11 0.00 0.10 0.00 0.00 66.02 63.48 3ig4 s SER 78 CO 0.38 -0.35 0.13 -0.62 0.98 0.00 0.00 173.24 173.75 3ig4 s ASP 79 N -0.77 4.18 0.54 7.02 2.15 -1.26 -5.01 116.67 123.52 3ig4 s ASP 79 Ca 0.48 -2.09 0.34 0.00 0.43 0.00 0.00 52.55 51.71 3ig4 s ASP 79 Cb -0.35 -1.17 1.51 0.00 -0.30 0.00 0.00 42.92 42.62 3ig4 s ASP 79 CO 0.45 -0.36 1.85 -0.65 -0.17 0.00 0.00 175.17 176.29 3ig4 h PRO 80 N 7.56 0.00 -0.85 4.34 0.11 -2.01 -2.43 132.00 138.73 3ig4 h PRO 80 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3ig4 h PRO 80 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3ig4 h PRO 80 CO 0.50 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.57 3ig4 n VAL 81 N -4.19 0.18 0.00 3.15 0.31 -1.26 -3.95 118.33 112.57 3ig4 n VAL 81 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 3ig4 n VAL 81 Cb 1.08 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 3ig4 n VAL 81 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3ig4 n GLU 83 N 0.30 0.00 0.04 5.55 1.02 -0.92 -3.95 120.64 122.69 3ig4 n GLU 83 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 3ig4 n GLU 83 Cb 0.21 -0.24 0.38 0.00 -0.02 0.00 0.00 31.44 31.77 3ig4 n GLU 83 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3ig4 n LYS 84 N -0.07 0.14 -0.11 3.49 5.02 -1.25 -2.65 118.16 122.73 3ig4 n LYS 84 Ca 0.00 0.08 -0.20 0.00 -2.02 0.00 0.00 58.31 56.17 3ig4 n LYS 84 Cb 0.00 -1.63 -0.09 0.00 -0.02 0.00 0.00 35.03 33.29 3ig4 n LYS 84 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3ig4 n TRP 85 N -1.85 0.00 -0.02 2.13 7.02 -1.25 -4.84 117.44 118.63 3ig4 n TRP 85 Ca 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.53 3ig4 n TRP 85 Cb 0.39 -0.84 0.00 0.00 -2.42 0.00 0.00 31.31 28.44 3ig4 n TRP 85 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 3ig4 n VAL 86 N -3.56 0.00 0.00 -0.99 0.31 -1.26 -5.14 118.33 107.69 3ig4 n VAL 86 Ca -0.42 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.45 3ig4 n VAL 86 Cb 0.87 1.02 0.00 0.00 -0.91 0.00 0.00 33.84 34.82 3ig4 n VAL 86 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ig4 n GLY 87 N 0.75 0.09 3.74 2.92 0.00 -1.08 -4.98 105.19 106.63 3ig4 n GLY 87 Ca 0.00 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 3ig4 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ig4 s LYS 88 N -1.11 4.77 0.72 1.61 1.02 -1.26 -4.25 119.74 121.24 3ig4 s LYS 88 Ca 0.00 1.53 -0.10 0.00 0.02 0.00 0.00 55.97 57.42 3ig4 s LYS 88 Cb 0.00 -3.30 0.04 0.00 -0.52 0.00 0.00 37.83 34.05 3ig4 s LYS 88 CO 0.00 0.37 1.08 0.95 -0.92 0.00 0.00 175.35 176.82 3ig4 s THR 89 N -0.77 2.87 0.28 2.17 -4.23 -1.26 -4.99 115.64 109.72 3ig4 s THR 89 Ca 0.44 0.13 -0.30 0.00 -1.18 0.00 0.00 61.69 60.79 3ig4 s THR 89 Cb -0.26 -3.25 -0.13 0.00 1.34 0.00 0.00 72.50 70.19 3ig4 s THR 89 CO 0.33 -0.31 1.31 0.55 -0.54 0.00 0.00 174.62 175.95 3ig4 n VAL 90 N -3.02 1.47 -3.51 2.29 3.14 -1.26 -4.97 118.33 112.48 3ig4 n VAL 90 Ca 0.07 -0.37 -0.27 0.00 -2.96 0.00 0.00 64.34 60.81 3ig4 n VAL 90 Cb 0.59 -1.43 -0.03 0.00 -1.06 0.00 0.00 33.84 31.91 3ig4 n VAL 90 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3ig4 s SER 91 N -0.05 6.39 0.12 6.55 1.04 -1.26 -4.80 113.70 121.69 3ig4 s SER 91 Ca 0.62 0.53 -0.18 0.00 0.48 0.00 0.00 55.95 57.40 3ig4 s SER 91 Cb -0.63 -2.06 0.01 0.00 0.10 0.00 0.00 66.02 63.43 3ig4 s SER 91 CO 0.56 -0.14 1.02 -3.20 0.98 0.00 0.00 173.24 172.46 3ig4 n ASN 92 N -0.96 -0.63 -0.06 7.02 2.85 -1.26 -0.53 115.26 121.69 3ig4 n ASN 92 Ca -0.04 1.17 -0.13 0.00 -0.11 0.00 0.00 54.58 55.48 3ig4 n ASN 92 Cb 0.54 -0.18 -0.00 0.00 1.24 0.00 0.00 39.78 41.38 3ig4 n ASN 92 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 3ig4 h GLU 93 N 0.00 0.79 -0.51 1.20 5.08 -1.97 -2.63 114.58 116.53 3ig4 h GLU 93 Ca 0.14 -0.48 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3ig4 h GLU 93 Cb 0.30 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3ig4 h GLU 93 CO -0.63 1.11 0.32 0.93 -1.00 0.00 0.00 179.01 179.73 3ig4 h GLU 94 N 0.62 0.69 -0.64 2.33 5.08 -1.68 -0.87 114.58 120.10 3ig4 h GLU 94 Ca 0.02 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3ig4 h GLU 94 Cb 1.09 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 3ig4 h GLU 94 CO 0.11 0.49 0.40 0.00 -1.00 0.00 0.00 179.01 179.02 3ig4 h ALA 95 N 1.16 0.84 -0.36 3.43 0.00 -0.65 -0.07 119.26 123.59 3ig4 h ALA 95 Ca 0.18 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3ig4 h ALA 95 Cb -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3ig4 h ALA 95 CO -0.04 0.16 -0.00 1.49 0.00 0.00 0.00 179.25 180.86 3ig4 h GLU 96 N 0.79 0.65 -0.61 0.00 4.81 -1.25 -1.15 114.58 117.82 3ig4 h GLU 96 Ca 0.26 -0.21 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3ig4 h GLU 96 Cb 0.01 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 3ig4 h GLU 96 CO -0.10 0.76 0.38 -0.22 -0.73 0.00 0.00 179.01 179.10 3ig4 h LYS 97 N 0.46 0.73 0.04 1.92 3.11 -0.76 -0.07 116.57 122.01 3ig4 h LYS 97 Ca 0.10 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 57.90 3ig4 h LYS 97 Cb 0.47 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.53 3ig4 h LYS 97 CO 0.02 0.48 -0.02 0.82 -2.81 0.00 0.00 179.45 177.94 3ig4 h ILE 98 N 0.75 1.30 0.00 2.00 2.04 -0.92 -3.35 117.51 119.33 3ig4 h ILE 98 Ca 0.24 -1.21 -0.06 0.00 1.00 0.00 0.00 64.86 64.84 3ig4 h ILE 98 Cb 0.00 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 3ig4 h ILE 98 CO -0.09 0.30 -0.63 0.77 0.00 0.00 0.00 178.15 178.50 3ig4 h SER 99 N -0.60 0.00 0.00 1.72 4.64 -1.22 -3.30 113.55 114.79 3ig4 h SER 99 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3ig4 h SER 99 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3ig4 h SER 99 CO 0.01 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 176.81 3ig4 n GLY 100 N 1.20 0.44 3.66 -0.77 0.00 -0.04 -4.39 105.19 105.29 3ig4 n GLY 100 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3ig4 n GLY 100 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ig4 s ILE 101 N -2.07 5.04 0.08 -0.61 1.01 -1.25 -4.98 121.20 118.42 3ig4 s ILE 101 Ca 0.00 1.14 -0.16 0.00 0.00 0.00 0.00 60.65 61.63 3ig4 s ILE 101 Cb 0.00 -3.92 -0.14 0.00 0.01 0.00 0.00 42.46 38.40 3ig4 s ILE 101 CO 0.00 0.12 1.31 0.50 0.00 0.00 0.00 174.94 176.87 3ig4 h LYS 102 N 7.49 0.65 -5.44 2.79 3.64 -1.89 -3.40 116.57 120.41 3ig4 h LYS 102 Ca -0.32 -0.47 -0.65 0.00 -1.27 0.00 0.00 60.65 57.95 3ig4 h LYS 102 Cb 1.15 0.08 -0.15 0.00 -0.41 0.00 0.00 32.23 32.89 3ig4 h LYS 102 CO 0.77 1.09 0.30 0.21 -2.27 0.00 0.00 179.45 179.55 3ig4 s LYS 103 N -3.90 3.24 -0.25 1.90 2.20 -1.26 -4.99 119.74 116.67 3ig4 s LYS 103 Ca -0.12 -0.53 0.03 0.00 -0.36 0.00 0.00 55.97 54.99 3ig4 s LYS 103 Cb 0.07 -4.06 0.06 0.00 -1.51 0.00 0.00 37.83 32.39 3ig4 s LYS 103 CO 0.85 -1.32 -0.11 0.08 -0.36 0.00 0.00 175.35 174.50 3ig4 s VAL 104 N 3.27 2.08 0.04 4.02 1.01 -1.26 -1.50 120.40 128.06 3ig4 s VAL 104 Ca 0.23 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.66 3ig4 s VAL 104 Cb -0.15 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.03 3ig4 s VAL 104 CO 0.16 -0.02 0.01 2.30 0.00 0.00 0.00 175.10 177.55 3ig4 n ILE 105 N 4.47 0.00 -4.14 2.22 -5.35 0.89 -4.97 119.36 112.48 3ig4 n ILE 105 Ca -0.14 -0.18 -0.31 0.00 -0.27 0.00 0.00 62.75 61.85 3ig4 n ILE 105 Cb 0.43 -0.05 -0.08 0.00 -1.74 0.00 0.00 39.64 38.20 3ig4 n ILE 105 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3ig4 s TYR 106 N -0.98 3.09 0.41 4.28 2.02 -1.26 -0.42 117.35 124.47 3ig4 s TYR 106 Ca 0.00 0.04 0.14 0.00 -0.37 0.00 0.00 57.07 56.89 3ig4 s TYR 106 Cb -0.00 -1.61 1.00 0.00 -0.40 0.00 0.00 41.96 40.95 3ig4 s TYR 106 CO 0.00 0.49 1.89 -0.07 -1.57 0.00 0.00 175.55 176.29 3ig4 h LEU 107 N 3.66 0.46 0.00 -1.29 3.38 -1.25 -1.32 115.31 118.96 3ig4 h LEU 107 Ca -0.48 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3ig4 h LEU 107 Cb 1.17 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3ig4 h LEU 107 CO 0.61 0.22 0.00 -0.90 0.09 0.00 0.00 178.44 178.46 3ig4 n ASP 108 N -4.51 0.00 -0.35 -0.43 5.68 -1.26 -0.59 116.55 115.09 3ig4 n ASP 108 Ca 0.17 0.23 0.03 0.00 -0.50 0.00 0.00 54.79 54.71 3ig4 n ASP 108 Cb 0.56 -0.28 0.09 0.00 -1.14 0.00 0.00 41.12 40.34 3ig4 n ASP 108 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3ig4 n SER 109 N -1.28 2.52 -0.06 -1.12 3.41 -0.50 -4.66 113.62 111.93 3ig4 n SER 109 Ca 0.02 -2.03 -0.13 0.00 -0.26 0.00 0.00 58.87 56.46 3ig4 n SER 109 Cb 0.03 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 63.78 3ig4 n SER 109 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3ig4 h PHE 110 N 1.09 0.59 -0.13 7.33 3.57 -0.97 -2.49 116.94 125.94 3ig4 h PHE 110 Ca 0.00 -0.19 0.01 0.00 3.53 0.00 0.00 57.97 61.32 3ig4 h PHE 110 Cb 0.64 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 3ig4 h PHE 110 CO 0.13 0.87 0.05 0.93 -2.23 0.00 0.00 178.31 178.06 3ig4 h GLU 111 N 0.14 0.12 -0.97 1.11 5.08 -1.83 -2.60 114.58 115.63 3ig4 h GLU 111 Ca 0.02 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3ig4 h GLU 111 Cb 0.79 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 3ig4 h GLU 111 CO 0.06 0.08 0.64 -0.22 -1.00 0.00 0.00 179.01 178.56 3ig4 h LYS 112 N 0.12 1.24 -1.91 2.33 3.64 -1.87 -2.00 116.57 118.11 3ig4 h LYS 112 Ca 0.05 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3ig4 h LYS 112 Cb 0.02 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 3ig4 h LYS 112 CO -0.04 0.82 0.00 2.41 -2.27 0.00 0.00 179.45 180.36 3ig4 n THR 113 N -4.43 0.07 0.00 1.00 -1.04 -0.94 -2.14 114.28 106.80 3ig4 n THR 113 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 3ig4 n THR 113 Cb 0.05 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 3ig4 n THR 113 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3ig4 n SER 115 N 0.96 0.00 0.25 8.00 7.64 -0.76 -1.04 113.62 128.68 3ig4 n SER 115 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 3ig4 n SER 115 Cb 0.04 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.15 3ig4 n SER 115 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 3ig4 h ASN 116 N 0.00 -0.53 -0.58 6.43 -0.26 -1.73 -1.27 115.58 117.64 3ig4 h ASN 116 Ca 0.00 0.02 0.11 0.00 -0.56 0.00 0.00 56.30 55.87 3ig4 h ASN 116 Cb 0.00 0.14 -0.11 0.00 -1.06 0.00 0.00 38.32 37.29 3ig4 h ASN 116 CO 0.00 -0.37 -0.29 0.40 -1.06 0.00 0.00 177.43 176.11 3ig4 h ILE 117 N -0.60 0.22 -0.00 2.81 5.03 -1.36 -0.50 117.51 123.11 3ig4 h ILE 117 Ca -0.06 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.68 3ig4 h ILE 117 Cb 0.47 0.22 0.00 0.00 -3.03 0.00 0.00 36.82 34.48 3ig4 h ILE 117 CO 0.09 0.00 -0.42 0.49 -0.68 0.00 0.00 178.15 177.62 3ig4 n PHE 118 N -5.44 0.00 0.00 1.37 3.72 -1.19 -3.39 117.46 112.53 3ig4 n PHE 118 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 3ig4 n PHE 118 Cb 0.35 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 3ig4 n PHE 118 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3ig4 n PHE 119 N -1.45 0.00 -0.19 1.38 7.35 -0.48 -4.48 117.46 119.59 3ig4 n PHE 119 Ca 0.06 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.75 3ig4 n PHE 119 Cb 0.34 0.00 0.10 0.00 0.35 0.00 0.00 39.48 40.26 3ig4 n PHE 119 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 3ig4 h THR 120 N 0.00 0.69 -0.19 -2.13 2.02 -1.26 -2.22 112.91 109.82 3ig4 h THR 120 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3ig4 h THR 120 Cb 0.00 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3ig4 h THR 120 CO 0.00 0.05 0.00 -0.62 0.37 0.00 0.00 175.52 175.32 3ig4 n GLU 121 N -5.10 1.74 -4.18 6.66 1.02 -0.71 -4.94 120.64 115.13 3ig4 n GLU 121 Ca 0.08 -1.12 -0.30 0.00 -0.02 0.00 0.00 57.16 55.80 3ig4 n GLU 121 Cb 0.29 -1.38 -0.06 0.00 -0.02 0.00 0.00 31.44 30.27 3ig4 n GLU 121 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3ig4 n ASN 122 N 0.35 -0.20 -4.74 1.62 4.13 -0.84 -4.89 115.26 110.69 3ig4 n ASN 122 Ca 0.16 -1.14 -0.41 0.00 1.68 0.00 0.00 54.58 54.87 3ig4 n ASN 122 Cb 0.32 -2.29 -0.04 0.00 -1.54 0.00 0.00 39.78 36.23 3ig4 n ASN 122 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3ig4 s VAL 123 N -4.02 3.71 -0.11 2.41 1.01 -1.22 -4.95 120.40 117.24 3ig4 s VAL 123 Ca 0.14 1.55 0.03 0.00 0.00 0.00 0.00 61.98 63.70 3ig4 s VAL 123 Cb -0.08 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 3ig4 s VAL 123 CO 0.95 0.30 0.11 0.29 0.00 0.00 0.00 175.10 176.75 3ig4 n LYS 124 N 2.00 4.55 -3.92 2.72 5.02 -1.26 -4.86 118.16 122.40 3ig4 n LYS 124 Ca 0.02 -0.01 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 3ig4 n LYS 124 Cb 0.46 -0.75 -0.16 0.00 -0.02 0.00 0.00 35.03 34.56 3ig4 n LYS 124 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3ig4 s HIS 125 N -1.51 2.06 -0.11 2.13 2.46 -1.26 -0.18 115.29 118.88 3ig4 s HIS 125 Ca 0.01 -1.42 0.01 0.00 0.47 0.00 0.00 55.06 54.13 3ig4 s HIS 125 Cb 0.02 -1.46 -0.02 0.00 -0.13 0.00 0.00 32.58 30.99 3ig4 s HIS 125 CO 0.12 -0.70 -0.14 -1.17 -2.47 0.00 0.00 174.74 170.38 3ig4 s LEU 126 N 1.51 2.68 -0.12 8.88 2.96 0.34 -0.76 118.68 134.17 3ig4 s LEU 126 Ca -0.02 -0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 53.58 3ig4 s LEU 126 Cb -0.17 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 3ig4 s LEU 126 CO -0.07 0.21 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.75 3ig4 s TYR 127 N 0.07 2.85 0.22 5.38 2.02 0.45 -0.12 117.35 128.22 3ig4 s TYR 127 Ca -0.06 -0.46 0.07 0.00 -0.37 0.00 0.00 57.07 56.26 3ig4 s TYR 127 Cb -0.15 -1.82 -0.05 0.00 -0.40 0.00 0.00 41.96 39.54 3ig4 s TYR 127 CO 0.05 -0.08 -0.11 -0.51 -1.57 0.00 0.00 175.55 173.32 3ig4 s LEU 128 N 0.11 2.52 -0.74 -1.29 1.43 -0.74 -1.57 118.68 118.40 3ig4 s LEU 128 Ca -0.05 -1.07 -0.24 0.00 -1.03 0.00 0.00 54.13 51.74 3ig4 s LEU 128 Cb -0.14 -0.64 0.06 0.00 0.03 0.00 0.00 46.19 45.49 3ig4 s LEU 128 CO 0.04 -0.23 1.14 -0.62 0.23 0.00 0.00 176.35 176.91 3ig4 s ASP 129 N -3.35 6.23 -0.95 2.29 -1.08 -1.26 -0.16 116.67 118.39 3ig4 s ASP 129 Ca 0.25 -0.92 -0.01 0.00 -0.52 0.00 0.00 52.55 51.34 3ig4 s ASP 129 Cb 0.01 -2.48 0.33 0.00 -1.46 0.00 0.00 42.92 39.32 3ig4 s ASP 129 CO 0.08 -1.56 1.89 0.18 0.52 0.00 0.00 175.17 176.27 3ig4 n LEU 130 N 8.33 7.37 -4.65 -1.34 4.77 -1.26 -4.88 117.00 125.34 3ig4 n LEU 130 Ca 0.04 -5.19 -0.42 0.00 -0.03 0.00 0.00 56.01 50.41 3ig4 n LEU 130 Cb 0.48 -1.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.42 3ig4 n LEU 130 CO 0.66 1.95 1.37 -0.70 -1.33 0.00 0.00 177.39 179.34 3ig4 s GLU 131 N -4.23 4.09 -0.22 3.23 2.12 -1.26 -4.95 118.70 117.48 3ig4 s GLU 131 Ca 0.44 2.07 -0.05 0.00 0.36 0.00 0.00 54.97 57.79 3ig4 s GLU 131 Cb 0.28 -4.00 0.08 0.00 0.26 0.00 0.00 34.13 30.76 3ig4 s GLU 131 CO -0.24 -0.95 0.11 0.00 -0.54 0.00 0.00 175.26 173.64 3ig4 n ARG 133 N 5.27 0.04 -4.46 0.00 1.74 -1.26 -4.88 116.66 113.11 3ig4 n ARG 133 Ca -0.07 -0.03 -0.22 0.00 -0.77 0.00 0.00 57.85 56.76 3ig4 n ARG 133 Cb 0.46 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.24 3ig4 n ARG 133 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3ig4 s GLU 134 N -2.98 1.19 0.24 5.56 0.41 -1.26 -5.02 118.70 116.85 3ig4 s GLU 134 Ca 0.10 -0.34 -0.06 0.00 -0.41 0.00 0.00 54.97 54.26 3ig4 s GLU 134 Cb 0.17 -1.07 0.26 0.00 -1.78 0.00 0.00 34.13 31.71 3ig4 s GLU 134 CO 0.79 0.09 1.91 2.35 -0.49 0.00 0.00 175.26 179.91 3ig4 h TRP 135 N 6.59 1.20 -0.51 1.61 2.91 -2.05 -2.54 115.95 123.16 3ig4 h TRP 135 Ca -0.33 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 59.66 3ig4 h TRP 135 Cb 1.17 -0.40 -0.03 0.00 -0.51 0.00 0.00 29.16 29.39 3ig4 h TRP 135 CO 0.46 0.74 0.05 1.63 -1.03 0.00 0.00 178.44 180.29 3ig4 n LYS 136 N -4.43 3.97 -0.77 2.65 5.02 -1.26 -4.99 118.16 118.35 3ig4 n LYS 136 Ca 0.12 -3.06 -0.34 0.00 -2.02 0.00 0.00 58.31 53.01 3ig4 n LYS 136 Cb 0.04 -2.12 0.13 0.00 -0.02 0.00 0.00 35.03 33.06 3ig4 n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ig4 n GLY 137 N 0.06 -2.63 3.83 0.72 0.00 -0.96 -5.01 105.19 101.20 3ig4 n GLY 137 Ca 0.29 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 3ig4 n GLY 137 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ig4 s THR 138 N -2.20 4.69 0.27 2.61 -1.32 -1.26 -5.05 115.64 113.37 3ig4 s THR 138 Ca 0.52 -0.95 -0.31 0.00 -1.21 0.00 0.00 61.69 59.74 3ig4 s THR 138 Cb -0.09 -3.38 -0.12 0.00 -1.51 0.00 0.00 72.50 67.40 3ig4 s THR 138 CO 0.67 -0.08 1.61 1.21 -2.21 0.00 0.00 174.62 175.82 3ig4 n GLU 139 N -0.29 2.67 -4.06 7.08 2.13 -1.26 -5.02 120.64 121.88 3ig4 n GLU 139 Ca -0.08 0.95 -0.22 0.00 0.66 0.00 0.00 57.16 58.47 3ig4 n GLU 139 Cb 0.54 -2.74 -0.05 0.00 0.27 0.00 0.00 31.44 29.46 3ig4 n GLU 139 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3ig4 s THR 140 N 0.21 3.51 0.23 6.31 -4.23 -1.26 -4.97 115.64 115.45 3ig4 s THR 140 Ca 0.66 -1.59 -0.06 0.00 -1.18 0.00 0.00 61.69 59.53 3ig4 s THR 140 Cb -0.51 -3.09 0.19 0.00 1.34 0.00 0.00 72.50 70.43 3ig4 s THR 140 CO 0.46 -0.25 1.76 0.11 -0.54 0.00 0.00 174.62 176.16 3ig4 h LYS 141 N 1.51 0.53 0.15 3.99 1.57 -1.98 0.55 116.57 122.89 3ig4 h LYS 141 Ca -0.45 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.30 3ig4 h LYS 141 Cb 1.25 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 3ig4 h LYS 141 CO 0.61 0.35 -0.17 1.15 -0.57 0.00 0.00 179.45 180.83 3ig4 h THR 142 N 0.55 0.63 -0.78 -0.16 2.02 -1.96 0.26 112.91 113.47 3ig4 h THR 142 Ca 0.37 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.56 3ig4 h THR 142 Cb 0.46 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 3ig4 h THR 142 CO -0.31 0.00 0.52 -0.07 0.37 0.00 0.00 175.52 176.02 3ig4 h LEU 143 N -0.35 0.89 -0.93 2.58 3.38 -1.78 0.70 115.31 119.79 3ig4 h LEU 143 Ca 0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3ig4 h LEU 143 Cb 0.34 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3ig4 h LEU 143 CO -0.06 0.64 0.39 0.00 0.09 0.00 0.00 178.44 179.51 3ig4 h ALA 144 N 1.52 1.16 -0.56 1.53 0.00 -0.41 0.11 119.26 122.62 3ig4 h ALA 144 Ca 0.29 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3ig4 h ALA 144 Cb -0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.34 3ig4 h ALA 144 CO -0.06 0.64 0.19 0.35 0.00 0.00 0.00 179.25 180.37 3ig4 h PHE 145 N 1.15 0.87 -0.65 0.00 3.04 0.13 -0.61 116.94 120.88 3ig4 h PHE 145 Ca 0.28 -0.08 -0.03 0.00 3.98 0.00 0.00 57.97 62.12 3ig4 h PHE 145 Cb 0.11 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.33 3ig4 h PHE 145 CO 0.01 0.73 0.30 0.00 -2.02 0.00 0.00 178.31 177.33 3ig4 h ALA 146 N 1.05 0.83 -0.43 2.41 0.00 -0.26 -1.21 119.26 121.66 3ig4 h ALA 146 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ig4 h ALA 146 Cb 0.25 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3ig4 h ALA 146 CO -0.01 0.41 0.28 -0.22 0.00 0.00 0.00 179.25 179.71 3ig4 h LYS 147 N 0.89 0.57 -0.14 0.00 3.64 -0.43 -1.42 116.57 119.68 3ig4 h LYS 147 Ca 0.22 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 3ig4 h LYS 147 Cb 0.13 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 3ig4 h LYS 147 CO -0.03 0.37 -0.03 1.25 -2.27 0.00 0.00 179.45 178.75 3ig4 h HIS 148 N 0.58 -0.06 -0.74 1.91 2.76 -0.77 -1.69 115.15 117.14 3ig4 h HIS 148 Ca 0.16 0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.42 3ig4 h HIS 148 Cb -0.07 0.05 -0.07 0.00 1.55 0.00 0.00 27.41 28.87 3ig4 h HIS 148 CO -0.05 -0.05 0.41 0.28 -1.30 0.00 0.00 177.93 177.22 3ig4 h VAL 149 N 0.01 0.91 -0.62 5.26 2.07 -0.94 -0.10 116.25 122.85 3ig4 h VAL 149 Ca 0.07 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3ig4 h VAL 149 Cb 0.10 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 3ig4 h VAL 149 CO -0.14 0.13 0.41 -0.09 0.02 0.00 0.00 177.57 177.90 3ig4 h ARG 150 N 0.71 0.79 0.10 1.57 2.43 -0.72 0.38 114.38 119.63 3ig4 h ARG 150 Ca 0.35 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.32 3ig4 h ARG 150 Cb 0.30 -0.18 0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3ig4 h ARG 150 CO -0.23 0.52 -0.68 1.49 -1.51 0.00 0.00 179.97 179.56 3ig4 h GLU 151 N 0.81 0.29 0.02 0.20 4.57 -0.31 -3.08 114.58 117.09 3ig4 h GLU 151 Ca 0.23 -0.44 -0.21 0.00 -1.18 0.00 0.00 59.36 57.76 3ig4 h GLU 151 Cb -0.05 0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 3ig4 h GLU 151 CO -0.05 1.19 -0.96 1.96 -1.18 0.00 0.00 179.01 179.96 3ig4 h GLN 152 N -0.38 0.11 -2.09 1.92 1.08 -0.95 -3.38 115.11 111.42 3ig4 h GLN 152 Ca -0.11 -0.15 -0.53 0.00 -1.45 0.00 0.00 58.65 56.41 3ig4 h GLN 152 Cb 1.50 0.05 -0.40 0.00 -0.05 0.00 0.00 27.48 28.58 3ig4 h GLN 152 CO 0.13 0.98 -1.00 0.66 -0.95 0.00 0.00 178.83 178.65 3ig4 n TYR 153 N -3.53 1.32 0.12 2.96 4.01 0.13 -4.95 117.16 117.22 3ig4 n TYR 153 Ca -0.03 -3.85 0.08 0.00 -0.16 0.00 0.00 57.90 53.94 3ig4 n TYR 153 Cb 0.88 -0.44 0.43 0.00 -0.31 0.00 0.00 39.34 39.90 3ig4 n TYR 153 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3ig4 n PRO 154 N 0.36 0.10 0.06 -0.72 -0.04 -1.16 -0.69 135.00 132.91 3ig4 n PRO 154 Ca 0.26 0.60 0.12 0.00 -0.04 0.00 0.00 63.50 64.44 3ig4 n PRO 154 Cb 0.55 -1.83 0.10 0.00 -0.04 0.00 0.00 33.50 32.28 3ig4 n PRO 154 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3ig4 n HIS 155 N -2.05 0.58 -2.31 0.54 1.44 -1.26 -4.89 115.22 107.28 3ig4 n HIS 155 Ca -0.01 0.17 -0.42 0.00 -2.01 0.00 0.00 57.72 55.45 3ig4 n HIS 155 Cb 0.02 -0.68 -0.03 0.00 0.12 0.00 0.00 29.99 29.43 3ig4 n HIS 155 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3ig4 s VAL 156 N -3.22 3.54 -0.06 0.61 1.01 0.13 -4.99 120.40 117.42 3ig4 s VAL 156 Ca 0.04 1.20 -0.25 0.00 0.00 0.00 0.00 61.98 62.96 3ig4 s VAL 156 Cb 0.13 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 3ig4 s VAL 156 CO 0.76 0.14 0.79 -0.89 0.00 0.00 0.00 175.10 175.90 3ig4 s THR 157 N 0.49 4.98 -0.19 3.92 2.01 0.74 -4.94 115.64 122.66 3ig4 s THR 157 Ca 0.58 1.63 -0.07 0.00 0.31 0.00 0.00 61.69 64.14 3ig4 s THR 157 Cb -0.34 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 3ig4 s THR 157 CO 0.34 0.20 0.04 -0.63 -0.69 0.00 0.00 174.62 173.88 3ig4 s ILE 158 N 0.99 4.49 0.26 1.82 1.01 -1.26 -0.50 121.20 128.01 3ig4 s ILE 158 Ca 0.42 -0.14 0.12 0.00 0.00 0.00 0.00 60.65 61.05 3ig4 s ILE 158 Cb -0.19 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.21 3ig4 s ILE 158 CO 0.20 0.44 -0.19 -0.83 0.00 0.00 0.00 174.94 174.57 3ig4 s GLY 159 N 0.61 1.84 -0.28 6.18 0.00 0.83 -4.98 107.32 111.52 3ig4 s GLY 159 Ca 0.02 -1.82 -0.11 0.00 0.00 0.00 0.00 44.72 42.82 3ig4 s GLY 159 CO 0.02 -1.89 0.18 0.21 0.00 0.00 0.00 173.10 171.62 3ig4 s ASN 160 N -3.37 5.94 0.00 1.64 2.47 -1.26 -1.79 114.94 118.56 3ig4 s ASN 160 Ca 0.29 -0.06 0.24 0.00 0.42 0.00 0.00 52.86 53.75 3ig4 s ASN 160 Cb -0.06 -2.10 0.37 0.00 -1.45 0.00 0.00 41.25 38.01 3ig4 s ASN 160 CO 0.15 -0.06 1.32 0.55 -3.72 0.00 0.00 177.10 175.33 3ig4 n VAL 161 N 5.05 0.00 -0.19 -5.21 3.14 0.77 -4.40 118.33 117.49 3ig4 n VAL 161 Ca -0.14 -0.03 -0.10 0.00 -2.96 0.00 0.00 64.34 61.10 3ig4 n VAL 161 Cb 0.52 0.48 -0.06 0.00 -1.06 0.00 0.00 33.84 33.72 3ig4 n VAL 161 CO 0.00 0.00 0.00 0.22 -6.46 0.00 0.00 176.83 170.59 3ig4 h TYR 162 N 0.32 -1.45 -0.85 1.45 3.20 -1.90 -0.92 116.97 116.81 3ig4 h TYR 162 Ca 0.00 0.08 0.04 0.00 3.14 0.00 0.00 58.73 62.00 3ig4 h TYR 162 Cb 0.51 0.71 -0.05 0.00 1.54 0.00 0.00 36.73 39.44 3ig4 h TYR 162 CO 0.00 -0.44 0.56 -1.35 -1.64 0.00 0.00 178.16 175.29 3ig4 h PRO 163 N -0.27 1.00 -0.56 1.82 0.11 -1.96 -1.56 132.00 130.57 3ig4 h PRO 163 Ca 0.14 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 66.25 3ig4 h PRO 163 Cb 0.57 -0.22 -0.05 0.00 0.11 0.00 0.00 31.00 31.40 3ig4 h PRO 163 CO -0.67 0.66 0.28 -0.91 -0.21 0.00 0.00 178.00 177.15 3ig4 h ASN 164 N 1.03 0.40 0.10 -2.05 -0.26 -1.44 -1.73 115.58 111.63 3ig4 h ASN 164 Ca 0.35 0.03 -0.28 0.00 -0.56 0.00 0.00 56.30 55.84 3ig4 h ASN 164 Cb 0.08 -0.04 0.02 0.00 -1.06 0.00 0.00 38.32 37.33 3ig4 h ASN 164 CO -0.11 0.27 -1.14 0.40 -1.06 0.00 0.00 177.43 175.78 3ig4 h ILE 165 N 0.54 1.29 -0.77 2.81 2.04 -0.98 -3.16 117.51 119.28 3ig4 h ILE 165 Ca 0.25 -2.39 0.07 0.00 1.00 0.00 0.00 64.86 63.80 3ig4 h ILE 165 Cb 0.18 2.55 -0.06 0.00 -0.74 0.00 0.00 36.82 38.74 3ig4 h ILE 165 CO -0.18 0.73 0.45 0.00 0.00 0.00 0.00 178.15 179.15 3ig4 h GLU 167 N 0.80 0.00 0.16 0.00 4.57 -1.30 -0.80 114.58 118.01 3ig4 h GLU 167 Ca 0.35 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 58.23 3ig4 h GLU 167 Cb 0.23 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.83 3ig4 h GLU 167 CO -0.20 0.03 -1.35 -0.07 -1.18 0.00 0.00 179.01 176.24 3ig4 h LEU 168 N 0.00 0.52 -1.67 1.64 4.07 -1.20 -3.29 115.31 115.38 3ig4 h LEU 168 Ca -0.00 -0.58 0.00 0.00 0.08 0.00 0.00 57.88 57.38 3ig4 h LEU 168 Cb 0.41 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.98 3ig4 h LEU 168 CO 0.00 1.46 0.00 0.03 -1.08 0.00 0.00 178.44 178.85 3ig4 h ARG 169 N 0.09 0.00 0.00 1.13 3.08 -0.09 -2.42 114.38 116.17 3ig4 h ARG 169 Ca -0.18 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 3ig4 h ARG 169 Cb 2.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.07 3ig4 h ARG 169 CO 0.21 0.00 -0.23 0.28 -1.07 0.00 0.00 179.97 179.16 3ig4 h VAL 170 N 0.00 0.87 -3.49 2.04 2.07 -1.47 -3.39 116.25 112.88 3ig4 h VAL 170 Ca 0.00 -0.90 -0.71 0.00 0.82 0.00 0.00 66.70 65.91 3ig4 h VAL 170 Cb 0.33 1.53 -0.29 0.00 -1.52 0.00 0.00 31.29 31.34 3ig4 h VAL 170 CO 0.00 0.23 -0.50 -0.36 0.02 0.00 0.00 177.57 176.96 3ig4 s PHE 171 N -4.15 3.35 0.27 1.57 0.08 -0.91 -4.42 117.98 113.76 3ig4 s PHE 171 Ca -0.02 -1.59 -0.22 0.00 0.12 0.00 0.00 56.93 55.22 3ig4 s PHE 171 Cb 0.13 -2.87 -0.09 0.00 -0.57 0.00 0.00 43.02 39.63 3ig4 s PHE 171 CO 0.65 -0.84 0.81 0.15 -0.10 0.00 0.00 175.22 175.89 3ig4 s LYS 172 N 1.40 4.35 0.73 0.44 -0.14 0.16 -5.01 119.74 121.67 3ig4 s LYS 172 Ca 0.03 1.03 -0.04 0.00 -1.36 0.00 0.00 55.97 55.62 3ig4 s LYS 172 Cb -0.22 -2.80 0.11 0.00 -1.68 0.00 0.00 37.83 33.24 3ig4 s LYS 172 CO 0.02 0.32 1.02 0.95 -0.76 0.00 0.00 175.35 176.90 3ig4 s THR 173 N -1.61 2.21 0.22 2.17 -4.23 -1.26 -4.76 115.64 108.37 3ig4 s THR 173 Ca 0.47 -0.45 -0.06 0.00 -1.18 0.00 0.00 61.69 60.46 3ig4 s THR 173 Cb -0.17 -2.76 0.12 0.00 1.34 0.00 0.00 72.50 71.04 3ig4 s THR 173 CO 0.21 0.00 1.74 0.44 -0.54 0.00 0.00 174.62 176.47 3ig4 h ASP 174 N -0.64 1.00 0.67 3.99 3.32 -1.99 -2.29 116.42 120.48 3ig4 h ASP 174 Ca -0.40 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.35 3ig4 h ASP 174 Cb 1.27 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 3ig4 h ASP 174 CO 0.45 0.97 -0.41 1.05 -1.72 0.00 0.00 179.24 179.59 3ig4 h GLU 175 N 1.00 0.00 -0.04 3.56 9.09 -1.99 -0.58 114.58 125.62 3ig4 h GLU 175 Ca 0.21 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.61 3ig4 h GLU 175 Cb 0.38 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.48 3ig4 h GLU 175 CO 0.01 0.41 -0.00 0.93 0.05 0.00 0.00 179.01 180.40 3ig4 h GLU 176 N 0.00 0.06 -0.80 1.06 5.08 -1.88 -2.80 114.58 115.30 3ig4 h GLU 176 Ca -0.00 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.41 3ig4 h GLU 176 Cb 0.85 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.04 3ig4 h GLU 176 CO 0.05 0.36 0.52 0.82 -1.00 0.00 0.00 179.01 179.77 3ig4 h ILE 177 N -0.24 1.00 -0.81 3.13 2.04 -1.03 -1.80 117.51 119.80 3ig4 h ILE 177 Ca 0.01 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 3ig4 h ILE 177 Cb 0.33 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 3ig4 h ILE 177 CO 0.00 0.15 0.40 -0.33 0.00 0.00 0.00 178.15 178.37 3ig4 h GLU 178 N 0.82 1.16 -0.19 2.37 4.39 -1.01 -1.39 114.58 120.73 3ig4 h GLU 178 Ca 0.36 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.84 3ig4 h GLU 178 Cb 0.33 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3ig4 h GLU 178 CO -0.13 0.89 -0.09 0.82 -1.16 0.00 0.00 179.01 179.34 3ig4 h ILE 179 N 1.15 1.31 -0.61 3.13 2.04 -1.08 -2.07 117.51 121.38 3ig4 h ILE 179 Ca 0.28 -1.15 0.11 0.00 1.00 0.00 0.00 64.86 65.10 3ig4 h ILE 179 Cb 0.11 1.66 -0.09 0.00 -0.74 0.00 0.00 36.82 37.76 3ig4 h ILE 179 CO -0.04 0.35 0.14 0.40 0.00 0.00 0.00 178.15 179.00 3ig4 h ILE 180 N 0.09 0.65 -0.57 -0.67 2.04 -1.34 -0.87 117.51 116.84 3ig4 h ILE 180 Ca 0.04 -0.10 0.09 0.00 1.00 0.00 0.00 64.86 65.90 3ig4 h ILE 180 Cb 0.58 0.35 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 3ig4 h ILE 180 CO 0.03 0.05 0.18 0.11 0.00 0.00 0.00 178.15 178.51 3ig4 h LYS 181 N 0.28 0.33 -0.71 2.37 1.57 -0.93 0.30 116.57 119.78 3ig4 h LYS 181 Ca 0.32 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3ig4 h LYS 181 Cb 0.47 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 3ig4 h LYS 181 CO -0.40 0.22 0.44 0.93 -0.57 0.00 0.00 179.45 180.07 3ig4 h GLU 182 N 0.34 0.95 -0.19 3.15 5.08 -0.65 0.35 114.58 123.61 3ig4 h GLU 182 Ca 0.29 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3ig4 h GLU 182 Cb 0.37 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3ig4 h GLU 182 CO -0.32 0.66 0.08 0.00 -1.00 0.00 0.00 179.01 178.43 3ig4 h ALA 183 N 1.24 0.22 -0.23 3.43 0.00 0.06 -2.28 119.26 121.69 3ig4 h ALA 183 Ca 0.26 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.22 3ig4 h ALA 183 Cb -0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3ig4 h ALA 183 CO -0.05 -0.35 -0.01 0.82 0.00 0.00 0.00 179.25 179.66 3ig4 h ILE 184 N 0.18 0.83 -0.53 0.00 2.04 -0.69 -1.61 117.51 117.73 3ig4 h ILE 184 Ca 0.08 -0.02 0.10 0.00 1.00 0.00 0.00 64.86 66.02 3ig4 h ILE 184 Cb 0.03 0.76 -0.11 0.00 -0.74 0.00 0.00 36.82 36.76 3ig4 h ILE 184 CO -0.07 0.01 -0.29 0.00 0.00 0.00 0.00 178.15 177.80 3ig4 h ALA 185 N 1.20 0.02 -0.38 1.87 0.00 -0.54 0.19 119.26 121.62 3ig4 h ALA 185 Ca 0.11 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 3ig4 h ALA 185 Cb 0.14 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3ig4 h ALA 185 CO -0.19 -0.63 -0.11 0.28 0.00 0.00 0.00 179.25 178.59 3ig4 h VAL 186 N -0.16 1.25 -0.82 0.00 2.07 -1.20 -1.54 116.25 115.84 3ig4 h VAL 186 Ca 0.23 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 3ig4 h VAL 186 Cb 0.53 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 3ig4 h VAL 186 CO -0.62 0.38 0.49 0.74 0.02 0.00 0.00 177.57 178.58 3ig4 h THR 187 N 0.61 1.23 0.30 2.57 2.02 -0.18 -0.69 112.91 118.77 3ig4 h THR 187 Ca 0.11 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 3ig4 h THR 187 Cb 0.55 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3ig4 h THR 187 CO 0.03 0.24 -0.22 0.50 0.37 0.00 0.00 175.52 176.45 3ig4 h LYS 188 N 1.13 -0.50 -0.68 6.66 3.64 0.13 -0.27 116.57 126.68 3ig4 h LYS 188 Ca 0.30 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.85 3ig4 h LYS 188 Cb -0.04 0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 31.80 3ig4 h LYS 188 CO -0.05 -0.33 0.15 -0.44 -2.27 0.00 0.00 179.45 176.50 3ig4 h ASP 189 N -0.52 -0.01 -0.27 4.20 3.32 -1.01 0.48 116.42 122.62 3ig4 h ASP 189 Ca -0.02 0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.19 3ig4 h ASP 189 Cb 0.45 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 3ig4 h ASP 189 CO -0.00 -0.02 0.11 1.23 -1.72 0.00 0.00 179.24 178.84 3ig4 h GLY 190 N 0.26 0.34 0.96 2.75 0.00 -0.76 -1.09 103.07 105.53 3ig4 h GLY 190 Ca 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3ig4 h GLY 190 CO -0.47 0.05 -0.03 -2.22 0.00 0.00 0.00 176.54 173.87 3ig4 h ILE 191 N 0.25 0.92 -0.99 2.60 2.04 0.33 -1.54 117.51 121.11 3ig4 h ILE 191 Ca 0.11 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.09 3ig4 h ILE 191 Cb 0.06 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 36.98 3ig4 h ILE 191 CO -0.10 0.00 0.63 1.88 0.00 0.00 0.00 178.15 180.56 3ig4 h TYR 192 N -0.08 1.12 -0.53 1.37 -1.99 -0.80 0.74 116.97 116.79 3ig4 h TYR 192 Ca 0.00 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.71 3ig4 h TYR 192 Cb 0.08 -0.36 -0.02 0.00 2.00 0.00 0.00 36.73 38.43 3ig4 h TYR 192 CO -0.09 0.46 0.13 -0.97 -0.00 0.00 0.00 178.16 177.69 3ig4 h ASN 193 N 0.99 0.75 -0.31 3.88 -0.00 -0.71 0.04 115.58 120.22 3ig4 h ASN 193 Ca 0.48 -0.13 -0.03 0.00 -0.00 0.00 0.00 56.30 56.62 3ig4 h ASN 193 Cb 0.46 -0.20 -0.01 0.00 -0.00 0.00 0.00 38.32 38.57 3ig4 h ASN 193 CO -0.24 0.74 0.07 0.58 -0.00 0.00 0.00 177.43 178.57 3ig4 h VAL 194 N 0.78 1.22 -0.26 2.57 2.07 0.05 -2.77 116.25 119.92 3ig4 h VAL 194 Ca 0.17 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.95 3ig4 h VAL 194 Cb 0.28 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3ig4 h VAL 194 CO -0.00 0.25 0.17 -0.07 0.02 0.00 0.00 177.57 177.94 3ig4 h LEU 195 N 0.33 0.29 -0.04 2.57 3.38 -0.41 -0.96 115.31 120.47 3ig4 h LEU 195 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3ig4 h LEU 195 Cb 0.31 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3ig4 h LEU 195 CO 0.00 0.21 0.00 1.17 0.09 0.00 0.00 178.44 179.91 3ig4 n LYS 196 N -4.50 0.22 0.00 1.13 4.81 -0.05 -3.88 118.16 115.89 3ig4 n LYS 196 Ca 0.01 0.20 0.01 0.00 -0.87 0.00 0.00 58.31 57.65 3ig4 n LYS 196 Cb 0.08 -1.77 -0.00 0.00 0.02 0.00 0.00 35.03 33.36 3ig4 n LYS 196 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3ig4 n HIS 197 N -2.15 0.00 -2.33 5.64 8.25 -0.68 -3.66 115.22 120.29 3ig4 n HIS 197 Ca 0.06 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.11 3ig4 n HIS 197 Cb 0.40 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.48 3ig4 n HIS 197 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ig4 s ALA 198 N -0.81 3.45 0.18 -1.41 0.00 -0.45 -5.01 121.76 117.71 3ig4 s ALA 198 Ca 0.01 1.03 -0.16 0.00 0.00 0.00 0.00 51.96 52.84 3ig4 s ALA 198 Cb 0.01 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.76 3ig4 s ALA 198 CO 0.04 -0.36 0.47 -1.59 0.00 0.00 0.00 175.76 174.31 3ig4 s LYS 199 N -1.28 1.29 0.73 0.00 -2.85 -1.26 -4.88 119.74 111.50 3ig4 s LYS 199 Ca 0.48 -0.87 -0.11 0.00 -1.00 0.00 0.00 55.97 54.47 3ig4 s LYS 199 Cb -0.35 0.49 0.03 0.00 -2.06 0.00 0.00 37.83 35.95 3ig4 s LYS 199 CO 0.44 -0.53 1.08 0.00 0.10 0.00 0.00 175.35 176.44 3ig4 s ALA 200 N -3.87 2.42 -0.55 0.59 0.00 -1.26 -4.91 121.76 114.18 3ig4 s ALA 200 Ca 0.09 0.23 -0.06 0.00 0.00 0.00 0.00 51.96 52.22 3ig4 s ALA 200 Cb 0.00 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.88 3ig4 s ALA 200 CO -0.04 -1.53 0.60 -0.25 0.00 0.00 0.00 175.76 174.54 3ig4 n ASP 201 N -3.27 -7.36 -0.05 0.00 8.00 0.18 -4.94 116.55 109.11 3ig4 n ASP 201 Ca 0.09 0.18 -0.07 0.00 0.71 0.00 0.00 54.79 55.69 3ig4 n ASP 201 Cb 0.53 -4.97 -0.05 0.00 -0.02 0.00 0.00 41.12 36.61 3ig4 n ASP 201 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ig4 n GLU 204 N -1.10 0.25 0.23 -1.24 1.02 0.02 -4.94 120.64 114.88 3ig4 n GLU 204 Ca 0.05 0.06 0.10 0.00 -0.02 0.00 0.00 57.16 57.35 3ig4 n GLU 204 Cb 0.46 -1.19 0.49 0.00 -0.02 0.00 0.00 31.44 31.19 3ig4 n GLU 204 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 3ig4 h TYR 205 N -0.01 0.00 -0.27 -0.32 -0.00 -1.67 -2.22 116.97 112.48 3ig4 h TYR 205 Ca -0.22 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.49 3ig4 h TYR 205 Cb 1.34 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.06 3ig4 h TYR 205 CO 0.01 0.21 0.07 0.93 -0.00 0.00 0.00 178.16 179.38 3ig4 h GLU 206 N 0.00 0.38 0.17 0.10 5.08 -1.96 0.11 114.58 118.46 3ig4 h GLU 206 Ca -0.00 -0.05 -0.28 0.00 -1.00 0.00 0.00 59.36 58.02 3ig4 h GLU 206 Cb 0.70 -0.07 0.03 0.00 0.50 0.00 0.00 28.75 29.91 3ig4 h GLU 206 CO 0.03 0.35 -1.21 -0.07 -1.00 0.00 0.00 179.01 177.11 3ig4 h LEU 207 N 0.38 0.77 -1.11 1.33 3.38 -1.84 -3.24 115.31 114.98 3ig4 h LEU 207 Ca 0.09 -0.88 0.07 0.00 0.09 0.00 0.00 57.88 57.25 3ig4 h LEU 207 Cb 0.15 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 3ig4 h LEU 207 CO -0.00 1.59 0.61 -0.08 0.09 0.00 0.00 178.44 180.64 3ig4 h GLU 208 N 0.07 1.03 -0.97 1.13 4.81 -1.06 -0.93 114.58 118.67 3ig4 h GLU 208 Ca -0.20 -0.06 0.16 0.00 -0.13 0.00 0.00 59.36 59.13 3ig4 h GLU 208 Cb 1.92 -0.23 -0.10 0.00 0.63 0.00 0.00 28.75 30.97 3ig4 h GLU 208 CO 0.23 0.68 0.58 0.00 -0.73 0.00 0.00 179.01 179.77 3ig4 h ALA 209 N 1.50 1.55 -0.41 2.92 0.00 -0.81 -0.74 119.26 123.27 3ig4 h ALA 209 Ca 0.40 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 55.24 3ig4 h ALA 209 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ig4 h ALA 209 CO -0.16 0.01 -0.30 1.96 0.00 0.00 0.00 179.25 180.77 3ig4 h GLN 210 N 0.80 0.90 -0.10 0.00 1.08 -1.22 -0.61 115.11 115.96 3ig4 h GLN 210 Ca 0.54 -0.42 -0.03 0.00 -1.45 0.00 0.00 58.65 57.29 3ig4 h GLN 210 Cb 0.74 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.16 3ig4 h GLN 210 CO -0.35 1.07 -0.04 0.35 -0.95 0.00 0.00 178.83 178.91 3ig4 h PHE 211 N 0.76 0.23 -0.50 2.96 3.57 -1.13 -2.50 116.94 120.33 3ig4 h PHE 211 Ca 0.08 -0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.59 3ig4 h PHE 211 Cb 0.87 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.50 3ig4 h PHE 211 CO 0.05 0.55 0.20 -0.44 -2.23 0.00 0.00 178.31 176.44 3ig4 h ASP 212 N -0.15 0.23 -0.20 0.41 3.32 -1.12 -2.06 116.42 116.85 3ig4 h ASP 212 Ca 0.02 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.17 3ig4 h ASP 212 Cb 0.49 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.01 3ig4 h ASP 212 CO 0.01 0.16 -0.10 0.15 -1.72 0.00 0.00 179.24 177.74 3ig4 h PHE 213 N 0.39 -0.25 -0.66 4.55 3.57 -1.03 0.64 116.94 124.15 3ig4 h PHE 213 Ca 0.24 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.80 3ig4 h PHE 213 Cb 0.23 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 3ig4 h PHE 213 CO -0.15 -0.16 0.39 1.15 -2.23 0.00 0.00 178.31 177.32 3ig4 h THR 214 N -0.08 1.04 0.06 4.41 2.02 -0.98 -1.41 112.91 117.96 3ig4 h THR 214 Ca 0.11 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 3ig4 h THR 214 Cb 0.25 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3ig4 h THR 214 CO -0.26 0.14 -0.03 -0.07 0.37 0.00 0.00 175.52 175.67 3ig4 h LEU 215 N 0.75 -0.07 -0.79 2.58 4.07 -0.94 -3.05 115.31 117.87 3ig4 h LEU 215 Ca 0.28 -0.15 -0.00 0.00 0.08 0.00 0.00 57.88 58.08 3ig4 h LEU 215 Cb 0.09 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 41.81 3ig4 h LEU 215 CO -0.14 0.11 0.49 0.50 -1.08 0.00 0.00 178.44 178.32 3ig4 h LYS 216 N -0.26 1.06 -0.00 1.13 1.63 -0.60 -1.78 116.57 117.75 3ig4 h LYS 216 Ca -0.01 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 3ig4 h LYS 216 Cb 0.22 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3ig4 h LYS 216 CO 0.01 0.73 -0.00 -1.13 -3.45 0.00 0.00 179.45 175.62 3ig4 n SER 217 N -4.50 0.02 -0.78 4.20 3.41 -0.56 -2.02 113.62 113.39 3ig4 n SER 217 Ca 0.08 -1.00 0.09 0.00 -0.26 0.00 0.00 58.87 57.77 3ig4 n SER 217 Cb 0.04 -0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.11 3ig4 n SER 217 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3ig4 n SER 218 N -0.99 2.73 0.00 4.04 7.64 -0.71 -4.97 113.62 121.36 3ig4 n SER 218 Ca 0.24 -1.80 0.00 0.00 1.01 0.00 0.00 58.87 58.32 3ig4 n SER 218 Cb 0.11 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 3ig4 n SER 218 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ig4 n GLY 219 N 1.01 0.25 3.63 0.23 0.00 -0.86 -5.04 105.19 104.42 3ig4 n GLY 219 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 3ig4 n GLY 219 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ig4 s ILE 220 N -2.06 3.58 0.09 -0.61 1.09 -0.98 -4.89 121.20 117.43 3ig4 s ILE 220 Ca 0.00 0.67 0.03 0.00 -1.10 0.00 0.00 60.65 60.25 3ig4 s ILE 220 Cb 0.00 -3.57 -0.24 0.00 -1.06 0.00 0.00 42.46 37.59 3ig4 s ILE 220 CO 0.00 -0.22 1.19 0.11 -0.10 0.00 0.00 174.94 175.92 3ig4 h LYS 221 N 10.88 0.10 -5.27 2.79 1.57 -1.88 -3.37 116.57 121.38 3ig4 h LYS 221 Ca -0.36 -0.16 -0.38 0.00 -1.87 0.00 0.00 60.65 57.88 3ig4 h LYS 221 Cb 1.17 0.06 -0.15 0.00 0.08 0.00 0.00 32.23 33.39 3ig4 h LYS 221 CO 0.99 1.05 -0.73 -1.01 -0.57 0.00 0.00 179.45 179.18 3ig4 s HIS 222 N -2.68 1.42 0.34 -1.35 3.76 -1.26 -5.09 115.29 110.42 3ig4 s HIS 222 Ca -0.01 -0.67 0.01 0.00 -0.15 0.00 0.00 55.06 54.24 3ig4 s HIS 222 Cb 0.09 -0.70 -0.03 0.00 1.11 0.00 0.00 32.58 33.05 3ig4 s HIS 222 CO 0.84 0.18 0.53 -1.01 -0.85 0.00 0.00 174.74 174.43 3ig4 s HIS 223 N -3.06 3.47 0.22 1.40 3.76 -1.26 -2.32 115.29 117.50 3ig4 s HIS 223 Ca 0.17 0.27 -0.05 0.00 -0.15 0.00 0.00 55.06 55.31 3ig4 s HIS 223 Cb 0.01 -1.87 0.21 0.00 1.11 0.00 0.00 32.58 32.03 3ig4 s HIS 223 CO 0.03 0.14 1.68 0.00 -0.85 0.00 0.00 174.74 175.74 3ig4 h ALA 224 N 0.79 0.95 -2.64 -1.40 0.00 -1.16 -3.42 119.26 112.38 3ig4 h ALA 224 Ca -0.50 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 3ig4 h ALA 224 Cb 1.22 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3ig4 h ALA 224 CO 0.61 0.62 0.22 1.97 0.00 0.00 0.00 179.25 182.67 3ig4 n PHE 225 N -4.17 -1.87 -2.49 0.00 -1.74 -1.26 -4.72 117.46 101.20 3ig4 n PHE 225 Ca 0.02 -1.26 -0.42 0.00 -0.56 0.00 0.00 57.45 55.23 3ig4 n PHE 225 Cb 0.35 0.63 -0.03 0.00 1.52 0.00 0.00 39.48 41.95 3ig4 n PHE 225 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 3ig4 s ASN 226 N -2.48 7.09 0.04 5.98 0.02 -1.26 -4.82 114.94 119.50 3ig4 s ASN 226 Ca 0.12 1.78 -0.34 0.00 -1.02 0.00 0.00 52.86 53.40 3ig4 s ASN 226 Cb -0.03 -2.56 -0.13 0.00 0.02 0.00 0.00 41.25 38.55 3ig4 s ASN 226 CO 0.08 -0.55 1.72 0.41 0.02 0.00 0.00 177.10 178.78 3ig4 n THR 227 N 4.55 0.29 -3.51 1.60 -1.04 -1.26 -4.90 114.28 110.01 3ig4 n THR 227 Ca 0.10 -0.05 -0.41 0.00 -2.04 0.00 0.00 64.05 61.65 3ig4 n THR 227 Cb 0.47 -1.69 -0.10 0.00 -1.82 0.00 0.00 70.33 67.18 3ig4 n THR 227 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3ig4 s ILE 228 N 2.46 5.27 -0.56 12.58 1.01 0.51 -4.77 121.20 137.70 3ig4 s ILE 228 Ca 0.86 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 61.21 3ig4 s ILE 228 Cb -0.69 -3.77 0.15 0.00 0.01 0.00 0.00 42.46 38.17 3ig4 s ILE 228 CO 0.45 -0.09 0.37 -0.22 0.00 0.00 0.00 174.94 175.45 3ig4 s LEU 229 N 1.71 3.58 -0.18 2.97 0.20 -1.26 -0.61 118.68 125.10 3ig4 s LEU 229 Ca 0.06 -3.27 -0.02 0.00 0.69 0.00 0.00 54.13 51.58 3ig4 s LEU 229 Cb -0.18 -1.26 -0.01 0.00 -0.43 0.00 0.00 46.19 44.30 3ig4 s LEU 229 CO 0.10 -0.17 -0.08 0.00 -0.29 0.00 0.00 176.35 175.92 3ig4 s ALA 230 N -0.55 2.77 0.21 5.97 0.00 -0.37 -4.63 121.76 125.17 3ig4 s ALA 230 Ca 0.23 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 51.25 3ig4 s ALA 230 Cb -0.11 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 3ig4 s ALA 230 CO -0.10 -0.07 0.13 -1.54 0.00 0.00 0.00 175.76 174.17 3ig4 s SER 231 N 0.87 5.32 0.90 0.00 1.04 -1.26 0.12 113.70 120.68 3ig4 s SER 231 Ca -0.02 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.15 3ig4 s SER 231 Cb -0.15 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 64.67 3ig4 s SER 231 CO 0.01 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.86 3ig4 n GLY 232 N -0.68 2.99 0.26 7.32 0.00 -0.60 -1.37 105.19 113.11 3ig4 n GLY 232 Ca -0.08 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.02 3ig4 n GLY 232 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ig4 h LYS 233 N 0.00 0.00 -0.34 1.61 3.64 -1.92 -2.73 116.57 116.82 3ig4 h LYS 233 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ig4 h LYS 233 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3ig4 h LYS 233 CO 0.00 0.12 0.19 -0.91 -2.27 0.00 0.00 179.45 176.58 3ig4 h ASN 234 N 0.00 0.41 0.03 4.20 -0.26 -1.57 -1.66 115.58 116.72 3ig4 h ASN 234 Ca -0.00 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 3ig4 h ASN 234 Cb 0.37 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 3ig4 h ASN 234 CO 0.02 0.33 0.00 0.00 -1.06 0.00 0.00 177.43 176.71 3ig4 n ALA 235 N -2.48 1.23 0.14 -0.83 0.00 -1.03 -0.68 120.51 116.86 3ig4 n ALA 235 Ca 0.02 -0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.48 3ig4 n ALA 235 Cb 0.09 -1.02 0.03 0.00 0.00 0.00 0.00 19.45 18.55 3ig4 n ALA 235 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3ig4 h THR 236 N 0.00 0.89 -3.33 0.00 2.02 -1.51 -3.42 112.91 107.57 3ig4 h THR 236 Ca 0.00 -2.24 -0.59 0.00 0.77 0.00 0.00 66.41 64.35 3ig4 h THR 236 Cb 0.01 2.43 -0.08 0.00 -1.74 0.00 0.00 68.15 68.77 3ig4 h THR 236 CO 0.00 0.51 0.32 -0.69 0.37 0.00 0.00 175.52 176.03 3ig4 s VAL 237 N -2.97 4.91 0.13 3.16 1.01 0.15 -4.98 120.40 121.81 3ig4 s VAL 237 Ca 0.04 1.49 -0.19 0.00 0.00 0.00 0.00 61.98 63.32 3ig4 s VAL 237 Cb 0.08 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 3ig4 s VAL 237 CO 0.75 0.04 1.76 -0.07 0.00 0.00 0.00 175.10 177.57 3ig4 h LEU 238 N 8.41 0.15 -3.63 3.92 4.07 -1.85 -3.06 115.31 123.32 3ig4 h LEU 238 Ca -0.29 0.01 -0.41 0.00 0.08 0.00 0.00 57.88 57.27 3ig4 h LEU 238 Cb 1.13 -0.02 -0.26 0.00 1.08 0.00 0.00 40.66 42.59 3ig4 h LEU 238 CO 0.82 0.12 -0.14 1.41 -1.08 0.00 0.00 178.44 179.57 3ig4 n HIS 239 N -5.00 2.11 -1.69 1.13 8.25 -1.26 -5.04 115.22 113.73 3ig4 n HIS 239 Ca -0.02 -2.12 -0.56 0.00 -0.26 0.00 0.00 57.72 54.76 3ig4 n HIS 239 Cb 0.06 -0.64 -0.07 0.00 1.12 0.00 0.00 29.99 30.46 3ig4 n HIS 239 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3ig4 n TYR 240 N -0.94 1.97 -0.11 4.41 9.36 -1.16 -4.85 117.16 125.84 3ig4 n TYR 240 Ca 0.43 0.53 0.00 0.00 3.32 0.00 0.00 57.90 62.18 3ig4 n TYR 240 Cb 0.94 -2.45 0.00 0.00 -0.63 0.00 0.00 39.34 37.21 3ig4 n TYR 240 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 3ig4 n GLU 241 N 4.94 2.62 -0.30 2.98 1.02 -1.26 -4.37 120.64 126.26 3ig4 n GLU 241 Ca 0.25 -0.16 0.07 0.00 -0.02 0.00 0.00 57.16 57.30 3ig4 n GLU 241 Cb 0.15 -0.59 0.28 0.00 -0.02 0.00 0.00 31.44 31.26 3ig4 n GLU 241 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3ig4 h ASP 242 N 0.00 0.83 -6.72 1.62 3.32 -1.92 -3.46 116.42 110.10 3ig4 h ASP 242 Ca 0.00 0.03 -0.51 0.00 0.02 0.00 0.00 57.03 56.57 3ig4 h ASP 242 Cb 0.06 -0.14 -0.29 0.00 0.22 0.00 0.00 39.33 39.17 3ig4 h ASP 242 CO 0.00 0.48 -0.74 0.59 -1.72 0.00 0.00 179.24 177.85 3ig4 n ASN 243 N -4.55 -1.93 -1.05 6.45 3.02 -1.26 -4.80 115.26 111.14 3ig4 n ASN 243 Ca 0.16 -0.90 0.05 0.00 -0.03 0.00 0.00 54.58 53.86 3ig4 n ASN 243 Cb 0.32 -1.68 0.11 0.00 -0.61 0.00 0.00 39.78 37.92 3ig4 n ASN 243 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3ig4 n ASP 244 N -2.31 1.33 -4.82 6.41 5.68 -1.26 -1.98 116.55 119.60 3ig4 n ASP 244 Ca 0.09 -2.90 -0.22 0.00 -0.50 0.00 0.00 54.79 51.27 3ig4 n ASP 244 Cb 0.47 -0.41 -0.04 0.00 -1.14 0.00 0.00 41.12 40.00 3ig4 n ASP 244 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ig4 s ALA 245 N -1.53 3.70 -0.09 2.12 0.00 -1.26 -4.89 121.76 119.82 3ig4 s ALA 245 Ca 0.35 -1.65 -0.20 0.00 0.00 0.00 0.00 51.96 50.46 3ig4 s ALA 245 Cb 0.37 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 3ig4 s ALA 245 CO -0.12 0.06 0.57 -1.14 0.00 0.00 0.00 175.76 175.13 3ig4 s GLN 246 N -3.93 4.37 -0.40 0.00 0.74 -1.26 -0.79 119.66 118.38 3ig4 s GLN 246 Ca 0.39 0.63 -0.29 0.00 0.05 0.00 0.00 55.36 56.14 3ig4 s GLN 246 Cb -0.05 -3.43 0.01 0.00 1.10 0.00 0.00 33.01 30.64 3ig4 s GLN 246 CO 0.25 0.16 1.31 0.42 -0.55 0.00 0.00 175.29 176.88 3ig4 s ILE 247 N 0.56 4.05 0.42 -2.34 1.01 -1.26 -4.95 121.20 118.70 3ig4 s ILE 247 Ca 0.30 1.10 -0.22 0.00 0.00 0.00 0.00 60.65 61.84 3ig4 s ILE 247 Cb -0.16 -4.30 -0.10 0.00 0.01 0.00 0.00 42.46 37.91 3ig4 s ILE 247 CO 0.14 -0.74 0.99 -1.10 0.00 0.00 0.00 174.94 174.22 3ig4 s GLN 248 N 4.60 4.16 0.22 2.79 -1.52 -1.26 0.47 119.66 129.12 3ig4 s GLN 248 Ca 0.56 1.28 -0.31 0.00 -1.95 0.00 0.00 55.36 54.94 3ig4 s GLN 248 Cb -0.13 -2.31 -0.11 0.00 -0.22 0.00 0.00 33.01 30.24 3ig4 s GLN 248 CO 0.30 -0.11 1.67 1.21 -0.25 0.00 0.00 175.29 178.10 3ig4 s ASN 249 N -1.94 6.42 0.00 5.90 3.04 -1.26 -1.47 114.94 125.62 3ig4 s ASN 249 Ca 0.61 2.84 0.00 0.00 0.04 0.00 0.00 52.86 56.35 3ig4 s ASN 249 Cb -0.15 -2.61 0.00 0.00 -1.54 0.00 0.00 41.25 36.96 3ig4 s ASN 249 CO 0.19 -0.93 0.00 0.61 -3.04 0.00 0.00 177.10 173.93 3ig4 n GLY 250 N 3.52 0.55 3.77 1.21 0.00 -1.26 -5.06 105.19 107.92 3ig4 n GLY 250 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3ig4 n GLY 250 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ig4 s ASP 251 N -2.51 6.90 0.16 1.61 1.01 -0.54 -4.93 116.67 118.37 3ig4 s ASP 251 Ca 0.00 2.31 -0.14 0.00 0.71 0.00 0.00 52.55 55.42 3ig4 s ASP 251 Cb 0.00 -2.62 -0.07 0.00 1.01 0.00 0.00 42.92 41.24 3ig4 s ASP 251 CO 0.00 -0.41 0.57 -0.22 0.21 0.00 0.00 175.17 175.32 3ig4 s LEU 252 N -2.00 4.33 -0.19 1.23 2.96 -1.26 -1.70 118.68 122.05 3ig4 s LEU 252 Ca 0.51 1.10 -0.01 0.00 -0.22 0.00 0.00 54.13 55.51 3ig4 s LEU 252 Cb -0.31 -3.33 0.00 0.00 0.50 0.00 0.00 46.19 43.06 3ig4 s LEU 252 CO 0.40 0.08 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.69 3ig4 s VAL 253 N -1.49 2.66 -0.23 1.68 1.01 1.00 -1.56 120.40 123.47 3ig4 s VAL 253 Ca 0.39 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 3ig4 s VAL 253 Cb -0.15 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3ig4 s VAL 253 CO 0.19 0.49 0.29 -0.22 0.00 0.00 0.00 175.10 175.86 3ig4 s LEU 254 N 1.22 4.12 -0.18 3.92 0.20 0.12 -1.94 118.68 126.13 3ig4 s LEU 254 Ca 0.02 0.30 -0.04 0.00 0.69 0.00 0.00 54.13 55.10 3ig4 s LEU 254 Cb -0.14 -2.33 -0.02 0.00 -0.43 0.00 0.00 46.19 43.27 3ig4 s LEU 254 CO -0.06 -0.04 -0.02 -0.76 -0.29 0.00 0.00 176.35 175.18 3ig4 s LEU 255 N 1.35 3.22 -0.19 -0.68 1.43 0.21 -1.24 118.68 122.79 3ig4 s LEU 255 Ca 0.13 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3ig4 s LEU 255 Cb -0.14 -1.80 0.06 0.00 0.03 0.00 0.00 46.19 44.33 3ig4 s LEU 255 CO 0.07 0.11 0.01 -0.62 0.23 0.00 0.00 176.35 176.16 3ig4 s ASP 256 N 0.70 2.90 0.32 2.29 -1.08 0.22 0.17 116.67 122.19 3ig4 s ASP 256 Ca -0.01 -0.79 -0.18 0.00 -0.52 0.00 0.00 52.55 51.05 3ig4 s ASP 256 Cb -0.14 -0.68 0.06 0.00 -1.46 0.00 0.00 42.92 40.70 3ig4 s ASP 256 CO 0.02 -0.28 0.88 -1.48 0.52 0.00 0.00 175.17 174.84 3ig4 s LEU 257 N 1.79 0.02 0.00 -1.34 0.05 -0.51 -0.36 118.68 118.32 3ig4 s LEU 257 Ca -0.01 -1.00 0.00 0.00 0.05 0.00 0.00 54.13 53.17 3ig4 s LEU 257 Cb -0.17 2.58 0.00 0.00 -2.05 0.00 0.00 46.19 46.55 3ig4 s LEU 257 CO -0.07 -1.45 0.00 0.61 -0.55 0.00 0.00 176.35 174.88 3ig4 n GLY 258 N -0.60 1.43 3.88 -3.48 0.00 -1.26 -1.17 105.19 103.99 3ig4 n GLY 258 Ca -0.06 0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 3ig4 n GLY 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ig4 s ALA 259 N -1.09 3.08 -0.10 4.61 0.00 -1.26 -0.84 121.76 126.15 3ig4 s ALA 259 Ca 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.72 3ig4 s ALA 259 Cb 0.00 -2.98 0.02 0.00 0.00 0.00 0.00 23.12 20.16 3ig4 s ALA 259 CO 0.00 -0.80 -0.13 -1.14 0.00 0.00 0.00 175.76 173.69 3ig4 s GLN 260 N -5.18 1.96 -0.17 0.00 0.74 -0.98 -1.87 119.66 114.17 3ig4 s GLN 260 Ca 0.55 -0.47 0.01 0.00 0.05 0.00 0.00 55.36 55.50 3ig4 s GLN 260 Cb -0.11 -1.72 0.01 0.00 1.10 0.00 0.00 33.01 32.29 3ig4 s GLN 260 CO 0.52 -0.09 -0.18 0.21 -0.55 0.00 0.00 175.29 175.20 3ig4 s LYS 261 N 1.07 3.10 -1.36 1.67 2.47 0.06 -4.43 119.74 122.31 3ig4 s LYS 261 Ca -0.06 -0.79 -0.13 0.00 -1.56 0.00 0.00 55.97 53.43 3ig4 s LYS 261 Cb -0.15 -2.60 0.11 0.00 -1.46 0.00 0.00 37.83 33.73 3ig4 s LYS 261 CO -0.02 -0.10 0.55 -0.25 0.16 0.00 0.00 175.35 175.69 3ig4 n ASP 262 N 4.36 -3.26 0.00 1.43 8.00 -1.26 -0.59 116.55 125.23 3ig4 n ASP 262 Ca -0.20 -0.58 0.00 0.00 0.71 0.00 0.00 54.79 54.72 3ig4 n ASP 262 Cb 0.51 -2.71 0.00 0.00 -0.02 0.00 0.00 41.12 38.90 3ig4 n ASP 262 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3ig4 n TYR 263 N -3.97 0.00 -3.94 1.24 4.01 -1.26 -5.03 117.16 108.21 3ig4 n TYR 263 Ca 0.03 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.45 3ig4 n TYR 263 Cb 0.51 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.50 3ig4 n TYR 263 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3ig4 s TYR 264 N -2.68 3.48 -0.05 -0.72 1.51 0.25 -4.34 117.35 114.80 3ig4 s TYR 264 Ca 0.00 0.28 0.04 0.00 -1.01 0.00 0.00 57.07 56.38 3ig4 s TYR 264 Cb 0.00 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 40.05 3ig4 s TYR 264 CO 0.00 0.60 -0.18 -0.80 -1.11 0.00 0.00 175.55 174.07 3ig4 s ASN 265 N -2.20 3.73 0.22 2.29 0.01 -0.76 -0.76 114.94 117.47 3ig4 s ASN 265 Ca 0.30 -0.30 0.03 0.00 -0.71 0.00 0.00 52.86 52.18 3ig4 s ASN 265 Cb -0.13 -0.82 -0.03 0.00 0.41 0.00 0.00 41.25 40.68 3ig4 s ASN 265 CO 0.22 0.31 0.36 0.00 -1.51 0.00 0.00 177.10 176.49 3ig4 s ALA 266 N -0.54 3.90 -0.27 0.60 0.00 -0.78 -4.61 121.76 120.05 3ig4 s ALA 266 Ca 0.07 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 3ig4 s ALA 266 Cb -0.11 -1.84 0.14 0.00 0.00 0.00 0.00 23.12 21.31 3ig4 s ALA 266 CO 0.01 0.34 0.34 0.34 0.00 0.00 0.00 175.76 176.79 3ig4 s ASP 267 N -3.61 0.97 -0.06 0.00 -1.08 -1.26 -4.41 116.67 107.22 3ig4 s ASP 267 Ca 0.36 -0.39 0.04 0.00 -0.52 0.00 0.00 52.55 52.03 3ig4 s ASP 267 Cb -0.10 0.80 0.00 0.00 -1.46 0.00 0.00 42.92 42.16 3ig4 s ASP 267 CO 0.30 -0.35 -0.17 -0.63 0.52 0.00 0.00 175.17 174.83 3ig4 s ILE 268 N 2.45 1.45 -0.09 4.11 -1.09 -0.31 -4.54 121.20 123.17 3ig4 s ILE 268 Ca 0.10 -0.70 -0.01 0.00 -2.23 0.00 0.00 60.65 57.81 3ig4 s ILE 268 Cb -0.14 -1.27 -0.03 0.00 -1.58 0.00 0.00 42.46 39.45 3ig4 s ILE 268 CO -0.27 0.42 -0.03 -0.44 -1.23 0.00 0.00 174.94 173.39 3ig4 s SER 269 N 0.25 4.91 -0.12 3.58 0.01 -1.22 -1.42 113.70 119.68 3ig4 s SER 269 Ca -0.09 0.03 -0.06 0.00 1.31 0.00 0.00 55.95 57.14 3ig4 s SER 269 Cb -0.14 -1.40 0.05 0.00 0.21 0.00 0.00 66.02 64.75 3ig4 s SER 269 CO 0.04 0.33 0.29 -0.47 0.41 0.00 0.00 173.24 173.84 3ig4 s TYR 270 N -0.63 -0.41 -0.05 2.43 6.14 0.13 -2.02 117.35 122.94 3ig4 s TYR 270 Ca 0.10 0.93 0.06 0.00 0.64 0.00 0.00 57.07 58.80 3ig4 s TYR 270 Cb -0.12 0.09 -0.01 0.00 0.42 0.00 0.00 41.96 42.35 3ig4 s TYR 270 CO 0.02 -0.28 -0.22 0.99 0.64 0.00 0.00 175.55 176.70 3ig4 s THR 271 N 1.45 1.81 0.20 4.34 2.01 -1.25 0.66 115.64 124.86 3ig4 s THR 271 Ca -0.08 -0.94 -0.08 0.00 0.31 0.00 0.00 61.69 60.90 3ig4 s THR 271 Cb -0.10 -1.54 -0.02 0.00 0.01 0.00 0.00 72.50 70.86 3ig4 s THR 271 CO -0.10 0.51 0.30 0.72 -0.69 0.00 0.00 174.62 175.36 3ig4 s PHE 272 N -0.14 0.59 -0.09 4.92 -0.12 -0.82 -4.98 117.98 117.35 3ig4 s PHE 272 Ca -0.02 -0.92 -0.19 0.00 -0.05 0.00 0.00 56.93 55.74 3ig4 s PHE 272 Cb -0.12 -0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.11 3ig4 s PHE 272 CO 0.03 -0.78 0.54 -1.25 -0.05 0.00 0.00 175.22 173.70 3ig4 s PRO 273 N -4.03 4.34 0.18 1.99 0.04 -1.26 -0.00 135.00 136.26 3ig4 s PRO 273 Ca 0.24 0.58 -0.13 0.00 0.04 0.00 0.00 61.00 61.74 3ig4 s PRO 273 Cb 0.03 -3.42 0.12 0.00 0.04 0.00 0.00 34.50 31.28 3ig4 s PRO 273 CO 0.06 0.19 1.82 0.00 0.04 0.00 0.00 177.00 179.11 3ig4 h ALA 274 N 6.49 0.72 -0.23 8.56 0.00 -1.66 -2.22 119.26 130.92 3ig4 h ALA 274 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3ig4 h ALA 274 Cb 1.19 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3ig4 h ALA 274 CO 0.74 0.06 0.00 0.27 0.00 0.00 0.00 179.25 180.32 3ig4 n ASN 275 N -4.77 1.38 0.00 0.00 0.23 -1.26 -3.98 115.26 106.86 3ig4 n ASN 275 Ca 0.05 -2.03 0.00 0.00 -0.53 0.00 0.00 54.58 52.07 3ig4 n ASN 275 Cb 0.08 -0.20 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 3ig4 n ASN 275 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ig4 n GLY 276 N 0.81 0.86 2.75 4.83 0.00 -0.83 -5.00 105.19 108.60 3ig4 n GLY 276 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 3ig4 n GLY 276 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ig4 s THR 277 N -3.11 0.18 0.15 2.61 2.01 -1.26 -4.57 115.64 111.65 3ig4 s THR 277 Ca 0.00 0.22 -0.30 0.00 0.31 0.00 0.00 61.69 61.92 3ig4 s THR 277 Cb 0.00 -0.36 -0.08 0.00 0.01 0.00 0.00 72.50 72.07 3ig4 s THR 277 CO 0.00 0.21 1.29 -0.36 -0.69 0.00 0.00 174.62 175.07 3ig4 s PHE 278 N 1.87 3.32 0.82 4.92 0.08 -1.26 -4.83 117.98 122.89 3ig4 s PHE 278 Ca 0.02 1.21 -0.11 0.00 0.12 0.00 0.00 56.93 58.17 3ig4 s PHE 278 Cb -0.12 -3.55 0.08 0.00 -0.57 0.00 0.00 43.02 38.85 3ig4 s PHE 278 CO -0.04 -1.75 1.09 -1.54 -0.10 0.00 0.00 175.22 172.88 3ig4 s SER 279 N 0.60 4.27 0.20 1.36 1.04 -1.26 -4.75 113.70 115.15 3ig4 s SER 279 Ca 0.58 1.40 -0.10 0.00 0.48 0.00 0.00 55.95 58.31 3ig4 s SER 279 Cb -0.35 -2.12 0.24 0.00 0.10 0.00 0.00 66.02 63.89 3ig4 s SER 279 CO 0.34 -2.13 1.77 0.28 0.98 0.00 0.00 173.24 174.49 3ig4 h SER 280 N -1.19 0.37 -0.30 7.02 0.02 -1.99 0.17 113.55 117.64 3ig4 h SER 280 Ca -0.47 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.48 3ig4 h SER 280 Cb 1.27 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 3ig4 h SER 280 CO 0.57 0.23 0.01 -0.09 -1.14 0.00 0.00 176.83 176.42 3ig4 h ARG 281 N 0.52 0.51 -0.80 3.45 9.65 -2.00 -2.59 114.38 123.13 3ig4 h ARG 281 Ca 0.29 -0.16 -0.03 0.00 -1.10 0.00 0.00 59.98 58.98 3ig4 h ARG 281 Cb 0.27 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.76 3ig4 h ARG 281 CO -0.23 0.65 0.38 1.96 2.80 0.00 0.00 179.97 185.52 3ig4 h GLN 282 N 0.31 1.16 -0.94 0.20 4.20 -1.77 -1.91 115.11 116.36 3ig4 h GLN 282 Ca 0.09 -0.17 0.04 0.00 0.06 0.00 0.00 58.65 58.67 3ig4 h GLN 282 Cb 0.41 -0.21 -0.06 0.00 0.30 0.00 0.00 27.48 27.92 3ig4 h GLN 282 CO 0.01 0.90 0.61 -0.22 -0.67 0.00 0.00 178.83 179.46 3ig4 h LYS 283 N 1.14 1.12 0.97 1.46 3.64 -0.58 0.11 116.57 124.43 3ig4 h LYS 283 Ca 0.27 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 3ig4 h LYS 283 Cb 0.13 -0.25 0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3ig4 h LYS 283 CO -0.03 0.74 -0.49 1.96 -2.27 0.00 0.00 179.45 179.36 3ig4 h GLN 284 N 1.16 -1.29 -0.79 1.90 4.20 -0.97 -2.25 115.11 117.07 3ig4 h GLN 284 Ca 0.39 0.09 -0.01 0.00 0.06 0.00 0.00 58.65 59.18 3ig4 h GLN 284 Cb 0.06 0.29 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 3ig4 h GLN 284 CO -0.14 -0.86 0.46 0.82 -0.67 0.00 0.00 178.83 178.44 3ig4 h ILE 285 N -1.34 1.23 0.04 2.54 1.08 -1.14 -2.12 117.51 117.80 3ig4 h ILE 285 Ca -0.13 -0.53 0.02 0.00 -0.39 0.00 0.00 64.86 63.82 3ig4 h ILE 285 Cb 1.03 0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.91 3ig4 h ILE 285 CO 0.20 0.25 -0.14 0.22 -0.69 0.00 0.00 178.15 177.99 3ig4 h TYR 286 N 1.09 -0.36 -0.21 1.37 5.03 -0.77 -2.53 116.97 120.59 3ig4 h TYR 286 Ca 0.28 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.58 3ig4 h TYR 286 Cb -0.01 0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.42 3ig4 h TYR 286 CO -0.00 -0.21 0.03 -0.91 -1.32 0.00 0.00 178.16 175.75 3ig4 h ASN 287 N -0.26 0.27 -0.11 -2.11 2.35 -0.99 0.62 115.58 115.36 3ig4 h ASN 287 Ca 0.04 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3ig4 h ASN 287 Cb 0.30 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3ig4 h ASN 287 CO -0.11 0.30 0.03 0.40 -1.65 0.00 0.00 177.43 176.41 3ig4 h ILE 288 N 0.30 0.97 0.41 2.81 2.04 -1.16 0.97 117.51 123.86 3ig4 h ILE 288 Ca 0.07 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 3ig4 h ILE 288 Cb 0.16 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3ig4 h ILE 288 CO -0.00 0.02 -0.20 0.58 0.00 0.00 0.00 178.15 178.55 3ig4 h VAL 289 N 0.08 0.60 -0.94 1.67 2.07 -0.93 -2.28 116.25 116.52 3ig4 h VAL 289 Ca 0.05 -0.04 0.14 0.00 0.82 0.00 0.00 66.70 67.66 3ig4 h VAL 289 Cb 0.03 0.62 -0.09 0.00 -1.52 0.00 0.00 31.29 30.33 3ig4 h VAL 289 CO -0.05 0.01 0.56 0.25 0.02 0.00 0.00 177.57 178.36 3ig4 h LEU 290 N -0.57 0.77 0.36 2.57 5.85 -0.79 0.13 115.31 123.64 3ig4 h LEU 290 Ca -0.06 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3ig4 h LEU 290 Cb 0.44 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3ig4 h LEU 290 CO 0.09 0.37 -0.52 0.78 -0.34 0.00 0.00 178.44 178.83 3ig4 h ASN 291 N 0.83 -1.47 -1.12 1.25 2.35 -0.67 -1.61 115.58 115.15 3ig4 h ASN 291 Ca 0.49 0.13 0.31 0.00 -0.55 0.00 0.00 56.30 56.69 3ig4 h ASN 291 Cb 0.59 0.51 -0.07 0.00 0.05 0.00 0.00 38.32 39.40 3ig4 h ASN 291 CO -0.31 -0.63 0.77 0.00 -1.65 0.00 0.00 177.43 175.61 3ig4 h ALA 292 N -0.75 2.71 0.13 -0.83 0.00 -0.45 0.13 119.26 120.21 3ig4 h ALA 292 Ca -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3ig4 h ALA 292 Cb 0.84 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3ig4 h ALA 292 CO -0.15 -1.09 -0.06 1.25 0.00 0.00 0.00 179.25 179.20 3ig4 h LEU 293 N 0.17 -0.15 0.22 0.00 5.85 -0.47 -2.05 115.31 118.88 3ig4 h LEU 293 Ca 0.59 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 3ig4 h LEU 293 Cb 1.94 0.04 0.00 0.00 0.37 0.00 0.00 40.66 43.01 3ig4 h LEU 293 CO -0.15 0.27 -0.11 0.11 -0.34 0.00 0.00 178.44 178.22 3ig4 h LYS 294 N -0.61 -0.28 -0.18 1.25 1.57 -0.07 -0.23 116.57 118.02 3ig4 h LYS 294 Ca -0.02 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3ig4 h LYS 294 Cb 0.47 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.78 3ig4 h LYS 294 CO 0.03 -0.08 -0.28 0.93 -0.57 0.00 0.00 179.45 179.48 3ig4 h GLU 295 N -0.44 -0.31 -0.19 3.15 4.39 -0.95 0.14 114.58 120.38 3ig4 h GLU 295 Ca -0.03 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3ig4 h GLU 295 Cb 0.34 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3ig4 h GLU 295 CO 0.05 -0.21 0.08 1.15 -1.16 0.00 0.00 179.01 178.92 3ig4 h THR 296 N -0.32 1.15 -1.00 1.13 2.02 -1.31 -1.97 112.91 112.61 3ig4 h THR 296 Ca 0.12 -0.46 0.15 0.00 0.77 0.00 0.00 66.41 66.99 3ig4 h THR 296 Cb 0.50 1.11 -0.09 0.00 -1.74 0.00 0.00 68.15 67.93 3ig4 h THR 296 CO -0.37 0.15 0.62 0.74 0.37 0.00 0.00 175.52 177.03 3ig4 h THR 297 N 0.15 0.82 -0.47 3.16 2.02 -0.75 -2.85 112.91 114.99 3ig4 h THR 297 Ca 0.06 -0.30 0.09 0.00 0.77 0.00 0.00 66.41 67.04 3ig4 h THR 297 Cb 0.16 -0.12 -0.08 0.00 -1.74 0.00 0.00 68.15 66.37 3ig4 h THR 297 CO -0.01 0.16 0.00 -0.08 0.37 0.00 0.00 175.52 175.97 3ig4 h GLU 298 N 0.86 0.12 0.00 6.66 4.57 0.08 -2.29 114.58 124.58 3ig4 h GLU 298 Ca 0.53 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.70 3ig4 h GLU 298 Cb 0.70 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 3ig4 h GLU 298 CO -0.31 0.08 0.00 0.44 -1.18 0.00 0.00 179.01 178.04 3ig4 n ILE 299 N -5.22 0.00 -2.37 2.32 -5.35 -1.08 -4.81 119.36 102.86 3ig4 n ILE 299 Ca 0.05 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.10 3ig4 n ILE 299 Cb 0.25 -0.55 -0.02 0.00 -1.74 0.00 0.00 39.64 37.58 3ig4 n ILE 299 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3ig4 s ILE 300 N -2.00 4.16 0.03 7.28 1.01 -0.86 -4.93 121.20 125.89 3ig4 s ILE 300 Ca 0.32 1.38 -0.27 0.00 0.00 0.00 0.00 60.65 62.08 3ig4 s ILE 300 Cb 0.15 -3.97 0.09 0.00 0.01 0.00 0.00 42.46 38.74 3ig4 s ILE 300 CO 0.25 -0.21 0.79 -1.59 0.00 0.00 0.00 174.94 174.18 3ig4 s LYS 301 N 3.75 0.97 0.24 2.79 -2.85 -1.26 -3.59 119.74 119.79 3ig4 s LYS 301 Ca 0.57 -0.28 -0.30 0.00 -1.00 0.00 0.00 55.97 54.97 3ig4 s LYS 301 Cb -0.22 0.45 -0.15 0.00 -2.06 0.00 0.00 37.83 35.85 3ig4 s LYS 301 CO 0.18 -0.41 1.06 -2.30 0.10 0.00 0.00 175.35 173.98 3ig4 n PRO 302 N -0.12 1.24 0.00 1.78 -0.02 -1.26 -1.90 135.00 134.71 3ig4 n PRO 302 Ca -0.12 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3ig4 n PRO 302 Cb 0.62 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 3ig4 n PRO 302 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ig4 n GLY 303 N 1.59 3.24 3.74 -1.23 0.00 -0.22 -4.99 105.19 107.32 3ig4 n GLY 303 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3ig4 n GLY 303 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ig4 s LEU 304 N 0.00 4.52 -0.07 0.99 2.96 -0.80 -4.77 118.68 121.52 3ig4 s LEU 304 Ca 0.00 2.05 -0.30 0.00 -0.22 0.00 0.00 54.13 55.66 3ig4 s LEU 304 Cb 0.00 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 3ig4 s LEU 304 CO 0.00 -0.13 1.26 -0.54 -1.32 0.00 0.00 176.35 175.62 3ig4 s LYS 305 N -0.60 4.31 0.32 1.98 1.02 -1.26 -0.33 119.74 125.17 3ig4 s LYS 305 Ca 0.47 1.73 0.09 0.00 0.02 0.00 0.00 55.97 58.28 3ig4 s LYS 305 Cb -0.28 -3.62 0.91 0.00 -0.52 0.00 0.00 37.83 34.32 3ig4 s LYS 305 CO 0.35 -0.54 1.65 0.35 -0.92 0.00 0.00 175.35 176.23 3ig4 h PHE 306 N 7.75 0.63 0.00 3.18 3.57 -1.47 0.63 116.94 131.22 3ig4 h PHE 306 Ca -0.33 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.22 3ig4 h PHE 306 Cb 1.15 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.77 3ig4 h PHE 306 CO 0.76 -0.21 0.00 0.00 -2.23 0.00 0.00 178.31 176.62 3ig4 h ALA 307 N 1.83 1.00 -0.02 2.41 0.00 -1.90 -1.40 119.26 121.19 3ig4 h ALA 307 Ca 0.65 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.46 3ig4 h ALA 307 Cb 1.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3ig4 h ALA 307 CO -0.65 0.00 -0.47 0.00 0.00 0.00 0.00 179.25 178.13 3ig4 h ALA 308 N 2.01 1.19 0.20 0.00 0.00 -0.11 -3.03 119.26 119.52 3ig4 h ALA 308 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.48 3ig4 h ALA 308 Cb 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3ig4 h ALA 308 CO 0.00 0.60 -0.24 -0.07 0.00 0.00 0.00 179.25 179.54 3ig4 h LEU 309 N 0.03 -0.67 -0.83 0.00 3.38 -1.37 -0.35 115.31 115.51 3ig4 h LEU 309 Ca -0.00 0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 3ig4 h LEU 309 Cb 0.85 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 3ig4 h LEU 309 CO 0.06 -0.35 -0.58 -1.13 0.09 0.00 0.00 178.44 176.53 3ig4 h ASN 310 N -0.50 0.00 -0.54 -0.43 -0.00 -1.73 -1.31 115.58 111.07 3ig4 h ASN 310 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.30 3ig4 h ASN 310 Cb 0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.77 3ig4 h ASN 310 CO -0.08 0.58 0.33 -0.33 -0.00 0.00 0.00 177.43 177.93 3ig4 h GLU 311 N 0.00 0.73 -0.07 6.67 5.08 -1.35 -0.12 114.58 125.52 3ig4 h GLU 311 Ca -0.01 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3ig4 h GLU 311 Cb 1.03 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 3ig4 h GLU 311 CO 0.08 0.52 -0.06 1.25 -1.00 0.00 0.00 179.01 179.79 3ig4 h HIS 312 N 0.73 0.20 -0.67 4.33 2.76 -0.87 -2.24 115.15 119.39 3ig4 h HIS 312 Ca 0.19 -0.06 0.14 0.00 -2.20 0.00 0.00 60.37 58.45 3ig4 h HIS 312 Cb -0.03 -0.04 -0.11 0.00 1.55 0.00 0.00 27.41 28.79 3ig4 h HIS 312 CO -0.03 0.60 0.08 0.00 -1.30 0.00 0.00 177.93 177.28 3ig4 h ALA 313 N 0.56 0.75 -0.48 5.26 0.00 -1.04 0.11 119.26 124.42 3ig4 h ALA 313 Ca 0.01 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3ig4 h ALA 313 Cb 0.56 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3ig4 h ALA 313 CO 0.02 -0.37 0.05 0.87 0.00 0.00 0.00 179.25 179.82 3ig4 h LYS 314 N 0.19 0.76 0.08 0.00 1.57 -0.96 -0.38 116.57 117.82 3ig4 h LYS 314 Ca 0.36 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3ig4 h LYS 314 Cb 0.59 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3ig4 h LYS 314 CO -0.52 0.74 -0.04 -0.22 -0.57 0.00 0.00 179.45 178.84 3ig4 h LYS 315 N 0.72 -0.10 -0.34 3.15 3.64 -0.27 -1.36 116.57 122.02 3ig4 h LYS 315 Ca 0.15 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 3ig4 h LYS 315 Cb 0.37 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3ig4 h LYS 315 CO 0.01 0.10 -0.18 0.28 -2.27 0.00 0.00 179.45 177.39 3ig4 h VAL 316 N -0.29 1.26 -0.18 2.00 2.07 -0.77 -1.70 116.25 118.64 3ig4 h VAL 316 Ca -0.01 -1.20 -0.12 0.00 0.82 0.00 0.00 66.70 66.19 3ig4 h VAL 316 Cb 0.25 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3ig4 h VAL 316 CO 0.02 0.39 -0.42 -0.07 0.02 0.00 0.00 177.57 177.51 3ig4 h LEU 317 N 0.56 0.44 -0.30 2.57 3.38 -1.03 -2.19 115.31 118.74 3ig4 h LEU 317 Ca 0.09 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 3ig4 h LEU 317 Cb 0.62 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3ig4 h LEU 317 CO 0.04 0.81 -0.27 0.00 0.09 0.00 0.00 178.44 179.12 3ig4 h ALA 318 N 1.21 0.44 -0.45 1.53 0.00 -0.83 -1.97 119.26 119.19 3ig4 h ALA 318 Ca 0.03 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.58 3ig4 h ALA 318 Cb 0.88 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3ig4 h ALA 318 CO 0.07 0.45 0.23 0.93 0.00 0.00 0.00 179.25 180.93 3ig4 h GLU 319 N 0.47 0.45 -0.79 0.00 5.08 -1.19 0.01 114.58 118.62 3ig4 h GLU 319 Ca 0.05 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3ig4 h GLU 319 Cb 0.84 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 3ig4 h GLU 319 CO 0.07 0.30 0.35 0.78 -1.00 0.00 0.00 179.01 179.51 3ig4 h GLY 320 N 0.47 1.23 0.95 -3.84 0.00 -1.40 -1.08 103.07 99.40 3ig4 h GLY 320 Ca 0.19 -0.63 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 3ig4 h GLY 320 CO -0.12 0.60 -0.03 0.00 0.00 0.00 0.00 176.54 176.99 3ig4 h LYS 322 N 0.54 -0.96 -1.18 0.00 1.57 -0.90 0.70 116.57 116.35 3ig4 h LYS 322 Ca 0.11 0.07 0.43 0.00 -1.87 0.00 0.00 60.65 59.39 3ig4 h LYS 322 Cb 0.52 0.22 -0.15 0.00 0.08 0.00 0.00 32.23 32.89 3ig4 h LYS 322 CO 0.03 -0.64 0.71 0.00 -0.57 0.00 0.00 179.45 178.98 3ig4 h ALA 323 N -1.26 2.47 0.00 3.86 0.00 -1.14 0.67 119.26 123.87 3ig4 h ALA 323 Ca -0.08 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ig4 h ALA 323 Cb 0.80 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3ig4 h ALA 323 CO 0.07 -1.18 -0.71 0.28 0.00 0.00 0.00 179.25 177.71 3ig4 n VAL 324 N -4.96 0.02 -0.62 0.00 0.31 -0.81 -4.96 118.33 107.31 3ig4 n VAL 324 Ca 0.38 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.68 3ig4 n VAL 324 Cb 1.38 0.48 0.00 0.00 -0.91 0.00 0.00 33.84 34.78 3ig4 n VAL 324 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ig4 n GLY 325 N 1.49 0.71 0.19 2.92 0.00 0.24 -4.93 105.19 105.79 3ig4 n GLY 325 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3ig4 n GLY 325 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ig4 h LEU 326 N 0.00 0.12 -8.53 0.99 5.85 -1.14 -3.46 115.31 109.14 3ig4 h LEU 326 Ca 0.00 -0.05 -0.22 0.00 0.84 0.00 0.00 57.88 58.45 3ig4 h LEU 326 Cb 0.00 -0.03 -0.15 0.00 0.37 0.00 0.00 40.66 40.85 3ig4 h LEU 326 CO 0.00 0.52 -0.62 0.27 -0.34 0.00 0.00 178.44 178.26 3ig4 s ILE 327 N -4.13 0.03 -0.19 4.05 -4.36 -1.18 -5.01 121.20 110.42 3ig4 s ILE 327 Ca -0.03 -1.96 -0.12 0.00 -0.26 0.00 0.00 60.65 58.28 3ig4 s ILE 327 Cb 0.14 -2.35 -0.08 0.00 1.25 0.00 0.00 42.46 41.42 3ig4 s ILE 327 CO 0.75 -0.15 -0.27 1.67 0.24 0.00 0.00 174.94 177.18 3ig4 n GLN 328 N -0.21 0.44 -4.42 0.37 -0.06 -1.26 -4.24 117.38 108.00 3ig4 n GLN 328 Ca -0.00 0.19 -0.27 0.00 -2.00 0.00 0.00 57.00 54.92 3ig4 n GLN 328 Cb 0.65 -1.24 -0.11 0.00 -4.06 0.00 0.00 30.24 25.47 3ig4 n GLN 328 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 3ig4 s GLU 329 N -2.47 1.58 0.39 3.69 2.02 -1.26 -4.95 118.70 117.70 3ig4 s GLU 329 Ca -0.28 -1.53 0.17 0.00 0.02 0.00 0.00 54.97 53.36 3ig4 s GLU 329 Cb 0.09 -1.87 1.08 0.00 0.10 0.00 0.00 34.13 33.53 3ig4 s GLU 329 CO 0.36 0.40 1.78 -0.44 0.02 0.00 0.00 175.26 177.37 3ig4 h ASP 330 N 3.09 0.47 -0.03 -0.19 5.19 -1.97 -1.21 116.42 121.77 3ig4 h ASP 330 Ca -0.46 0.08 0.01 0.00 -0.62 0.00 0.00 57.03 56.04 3ig4 h ASP 330 Cb 1.21 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.73 3ig4 h ASP 330 CO 0.50 0.10 0.03 -0.08 -3.12 0.00 0.00 179.24 176.66 3ig4 h GLU 331 N 0.42 0.00 0.00 3.56 4.81 -2.01 -1.95 114.58 119.40 3ig4 h GLU 331 Ca 0.59 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.82 3ig4 h GLU 331 Cb 1.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.82 3ig4 h GLU 331 CO -0.30 0.00 0.00 0.93 -0.73 0.00 0.00 179.01 178.91 3ig4 h GLU 332 N 0.00 0.00 -0.95 1.92 5.08 -1.64 -3.29 114.58 115.70 3ig4 h GLU 332 Ca 0.01 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 3ig4 h GLU 332 Cb 0.07 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 3ig4 h GLU 332 CO -0.00 0.00 0.61 1.25 -1.00 0.00 0.00 179.01 179.87 3ig4 h LEU 333 N 0.00 0.90 -0.31 1.33 5.85 -1.53 -1.82 115.31 119.73 3ig4 h LEU 333 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3ig4 h LEU 333 Cb 0.32 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3ig4 h LEU 333 CO 0.00 0.53 0.04 -1.54 -0.34 0.00 0.00 178.44 177.13 3ig4 n SER 334 N -4.54 0.12 0.16 1.25 3.41 -1.24 0.74 113.62 113.52 3ig4 n SER 334 Ca 0.16 0.52 0.04 0.00 -0.26 0.00 0.00 58.87 59.34 3ig4 n SER 334 Cb 0.28 -0.53 0.09 0.00 -0.26 0.00 0.00 64.21 63.79 3ig4 n SER 334 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3ig4 h LYS 335 N 0.00 0.00 0.00 4.33 3.64 -1.61 -3.37 116.57 119.56 3ig4 h LYS 335 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ig4 h LYS 335 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3ig4 h LYS 335 CO 0.00 0.42 -0.34 0.66 -2.27 0.00 0.00 179.45 177.91 3ig4 n TYR 336 N -3.24 0.00 -3.48 1.91 4.01 0.23 -4.91 117.16 111.68 3ig4 n TYR 336 Ca 0.02 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.53 3ig4 n TYR 336 Cb 0.68 -0.01 -0.13 0.00 -0.31 0.00 0.00 39.34 39.57 3ig4 n TYR 336 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 3ig4 s TYR 337 N -1.45 -0.04 -0.35 -0.72 5.04 -0.31 -0.97 117.35 118.56 3ig4 s TYR 337 Ca 0.01 -0.51 0.11 0.00 -2.44 0.00 0.00 57.07 54.24 3ig4 s TYR 337 Cb 0.02 -0.68 0.45 0.00 0.35 0.00 0.00 41.96 42.10 3ig4 s TYR 337 CO 0.10 -0.85 1.10 2.48 -1.34 0.00 0.00 175.55 177.05 3ig4 n TYR 338 N 5.28 2.46 -4.08 4.97 4.11 -1.26 -4.36 117.16 124.27 3ig4 n TYR 338 Ca -0.04 -2.64 -0.13 0.00 -0.00 0.00 0.00 57.90 55.08 3ig4 n TYR 338 Cb 0.44 -0.24 -0.05 0.00 -0.00 0.00 0.00 39.34 39.50 3ig4 n TYR 338 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.86 173.48 3ig4 s HIS 339 N -3.52 0.95 0.58 -3.48 -3.43 -1.26 -5.16 115.29 99.97 3ig4 s HIS 339 Ca 0.42 -1.20 -0.11 0.00 -0.80 0.00 0.00 55.06 53.37 3ig4 s HIS 339 Cb 0.40 -0.08 -0.05 0.00 -1.43 0.00 0.00 32.58 31.43 3ig4 s HIS 339 CO -0.06 -1.07 0.99 0.20 -2.00 0.00 0.00 174.74 172.81 3ig4 s GLY 340 N -3.19 1.72 0.12 -1.38 0.00 -1.26 -5.00 107.32 98.33 3ig4 s GLY 340 Ca 0.30 -0.09 0.23 0.00 0.00 0.00 0.00 44.72 45.16 3ig4 s GLY 340 CO 0.17 0.17 0.98 1.55 0.00 0.00 0.00 173.10 175.97 3ig4 n VAL 341 N -2.45 0.38 -3.91 1.40 3.14 -1.26 -4.88 118.33 110.75 3ig4 n VAL 341 Ca 0.05 -0.43 -0.11 0.00 -2.96 0.00 0.00 64.34 60.90 3ig4 n VAL 341 Cb 0.54 -0.12 -0.11 0.00 -1.06 0.00 0.00 33.84 33.09 3ig4 n VAL 341 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3ig4 s SER 342 N -4.73 0.08 -0.01 6.55 0.15 -1.25 -0.15 113.70 114.32 3ig4 s SER 342 Ca 0.00 -0.23 -0.19 0.00 0.70 0.00 0.00 55.95 56.23 3ig4 s SER 342 Cb 0.12 0.15 0.04 0.00 -1.71 0.00 0.00 66.02 64.62 3ig4 s SER 342 CO 0.80 -0.25 0.42 -1.38 1.20 0.00 0.00 173.24 174.03 3ig4 s HIS 343 N -1.04 -0.31 0.75 3.44 -3.43 -1.21 -4.92 115.29 108.57 3ig4 s HIS 343 Ca -0.11 0.47 -0.15 0.00 -0.80 0.00 0.00 55.06 54.47 3ig4 s HIS 343 Cb -0.07 0.19 0.02 0.00 -1.43 0.00 0.00 32.58 31.30 3ig4 s HIS 343 CO 0.00 -0.48 0.95 1.19 -2.00 0.00 0.00 174.74 174.41 3ig4 n PHE 344 N 1.05 0.55 -3.88 0.38 3.72 -1.26 -0.70 117.46 117.32 3ig4 n PHE 344 Ca -0.20 0.38 -0.13 0.00 -0.05 0.00 0.00 57.45 57.45 3ig4 n PHE 344 Cb 0.57 -2.06 -0.14 0.00 -0.94 0.00 0.00 39.48 36.91 3ig4 n PHE 344 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3ig4 s LEU 345 N -3.31 1.89 0.00 4.37 2.96 -0.30 -1.35 118.68 122.94 3ig4 s LEU 345 Ca 0.72 -0.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.62 3ig4 s LEU 345 Cb -0.33 -0.03 0.00 0.00 0.50 0.00 0.00 46.19 46.34 3ig4 s LEU 345 CO 0.52 -0.01 0.00 0.61 -1.32 0.00 0.00 176.35 176.15 3ig4 n GLY 346 N 3.21 -0.15 0.26 7.98 0.00 -1.26 -4.62 105.19 110.60 3ig4 n GLY 346 Ca -0.14 0.54 0.14 0.00 0.00 0.00 0.00 46.02 46.55 3ig4 n GLY 346 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ig4 h LEU 347 N 0.00 0.00 -8.89 0.99 3.38 -1.94 -2.02 115.31 106.84 3ig4 h LEU 347 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 3ig4 h LEU 347 Cb 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.52 3ig4 h LEU 347 CO 0.00 0.11 -0.86 -1.81 0.09 0.00 0.00 178.44 175.98 3ig4 s ASP 348 N -6.04 3.40 0.07 -0.43 1.01 -1.26 -4.75 116.67 108.68 3ig4 s ASP 348 Ca -0.02 -0.64 -0.25 0.00 0.71 0.00 0.00 52.55 52.36 3ig4 s ASP 348 Cb 0.12 -0.33 -0.16 0.00 1.01 0.00 0.00 42.92 43.56 3ig4 s ASP 348 CO 0.57 0.21 1.66 0.74 0.21 0.00 0.00 175.17 178.57 3ig4 h THR 349 N 3.96 0.94 -2.62 -1.27 2.02 -1.85 -2.66 112.91 111.43 3ig4 h THR 349 Ca -0.49 -0.13 -0.73 0.00 0.77 0.00 0.00 66.41 65.83 3ig4 h THR 349 Cb 1.16 1.02 -0.20 0.00 -1.74 0.00 0.00 68.15 68.39 3ig4 h THR 349 CO 0.42 0.03 0.91 -1.00 0.37 0.00 0.00 175.52 176.25 3ig4 s HIS 350 N -5.94 3.48 0.99 3.16 3.76 -1.26 -4.39 115.29 115.10 3ig4 s HIS 350 Ca -0.14 -1.91 -0.11 0.00 -0.15 0.00 0.00 55.06 52.75 3ig4 s HIS 350 Cb 0.05 -4.19 0.19 0.00 1.11 0.00 0.00 32.58 29.74 3ig4 s HIS 350 CO 0.65 -1.33 1.09 0.34 -0.85 0.00 0.00 174.74 174.64 3ig4 s ASP 351 N 2.87 2.40 0.79 1.40 2.15 -0.46 -4.98 116.67 120.84 3ig4 s ASP 351 Ca 0.35 1.78 -0.12 0.00 0.43 0.00 0.00 52.55 54.99 3ig4 s ASP 351 Cb -0.05 -2.38 0.06 0.00 -0.30 0.00 0.00 42.92 40.25 3ig4 s ASP 351 CO -0.06 -3.36 1.13 0.68 -0.17 0.00 0.00 175.17 173.39 3ig4 s VAL 352 N -2.66 2.75 0.00 1.11 -7.23 -1.26 -4.64 120.40 108.47 3ig4 s VAL 352 Ca 0.66 0.24 0.00 0.00 -1.81 0.00 0.00 61.98 61.08 3ig4 s VAL 352 Cb -0.22 -3.15 0.00 0.00 0.56 0.00 0.00 36.38 33.57 3ig4 s VAL 352 CO 0.60 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.68 3ig4 n GLY 353 N -2.79 3.99 3.79 2.32 0.00 -1.26 -4.69 105.19 106.55 3ig4 n GLY 353 Ca 0.07 -1.41 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 3ig4 n GLY 353 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ig4 s THR 354 N -1.40 3.60 -0.13 2.61 -4.23 -1.26 -4.97 115.64 109.86 3ig4 s THR 354 Ca 0.00 1.08 0.11 0.00 -1.18 0.00 0.00 61.69 61.69 3ig4 s THR 354 Cb 0.00 -3.48 -0.16 0.00 1.34 0.00 0.00 72.50 70.20 3ig4 s THR 354 CO 0.00 -0.14 0.03 -1.22 -0.54 0.00 0.00 174.62 172.75 3ig4 n TYR 355 N -0.73 0.00 -1.68 3.99 4.02 -1.26 -4.75 117.16 116.75 3ig4 n TYR 355 Ca 0.08 0.00 -0.48 0.00 -0.01 0.00 0.00 57.90 57.49 3ig4 n TYR 355 Cb 0.51 -0.65 -0.05 0.00 -0.02 0.00 0.00 39.34 39.14 3ig4 n TYR 355 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 3ig4 n LYS 356 N -2.54 2.13 -1.29 -0.72 4.81 -1.26 -0.70 118.16 118.59 3ig4 n LYS 356 Ca -0.22 0.78 -0.10 0.00 -0.87 0.00 0.00 58.31 57.89 3ig4 n LYS 356 Cb 0.92 -2.60 -0.04 0.00 0.02 0.00 0.00 35.03 33.33 3ig4 n LYS 356 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ig4 n ASP 357 N 5.68 -5.63 -4.73 3.14 8.00 -1.26 -4.93 116.55 116.82 3ig4 n ASP 357 Ca 0.21 0.25 -0.42 0.00 0.71 0.00 0.00 54.79 55.55 3ig4 n ASP 357 Cb 0.29 -4.11 -0.03 0.00 -0.02 0.00 0.00 41.12 37.26 3ig4 n ASP 357 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3ig4 s ARG 358 N -2.85 4.16 -0.09 -1.24 6.06 0.12 -4.95 118.95 120.16 3ig4 s ARG 358 Ca 0.00 2.51 0.01 0.00 -2.50 0.00 0.00 55.73 55.75 3ig4 s ARG 358 Cb 0.00 -3.08 -0.02 0.00 0.06 0.00 0.00 34.95 31.90 3ig4 s ARG 358 CO 0.00 -0.65 -0.11 0.14 -2.50 0.00 0.00 175.30 172.17 3ig4 s VAL 359 N 0.74 3.28 0.29 7.11 -7.23 -1.26 -1.11 120.40 122.22 3ig4 s VAL 359 Ca 0.69 -0.61 -0.29 0.00 -1.81 0.00 0.00 61.98 59.95 3ig4 s VAL 359 Cb -0.47 -2.35 -0.10 0.00 0.56 0.00 0.00 36.38 34.02 3ig4 s VAL 359 CO 0.37 0.56 1.43 -0.76 -0.31 0.00 0.00 175.10 176.39 3ig4 s LEU 360 N -0.23 4.38 0.05 1.32 1.02 0.55 -4.86 118.68 120.91 3ig4 s LEU 360 Ca 0.02 2.76 -0.00 0.00 0.02 0.00 0.00 54.13 56.92 3ig4 s LEU 360 Cb -0.13 -3.64 -0.04 0.00 0.02 0.00 0.00 46.19 42.41 3ig4 s LEU 360 CO 0.03 -0.70 -0.04 -1.61 0.02 0.00 0.00 176.35 174.05 3ig4 s GLU 361 N -1.02 0.59 0.19 1.70 2.02 -1.26 -1.06 118.70 119.86 3ig4 s GLU 361 Ca 0.56 -1.11 -0.32 0.00 0.02 0.00 0.00 54.97 54.12 3ig4 s GLU 361 Cb -0.43 0.10 -0.15 0.00 0.10 0.00 0.00 34.13 33.75 3ig4 s GLU 361 CO 0.49 -0.08 1.11 -1.91 0.02 0.00 0.00 175.26 174.90 3ig4 n GLU 362 N 0.41 1.16 0.00 1.61 2.13 -1.26 -4.77 120.64 119.91 3ig4 n GLU 362 Ca -0.16 0.41 0.00 0.00 0.66 0.00 0.00 57.16 58.07 3ig4 n GLU 362 Cb 0.60 -1.87 0.00 0.00 0.27 0.00 0.00 31.44 30.44 3ig4 n GLU 362 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ig4 n GLY 363 N 1.86 0.70 3.55 8.31 0.00 -0.83 -4.91 105.19 113.87 3ig4 n GLY 363 Ca 0.14 -0.68 -0.00 0.00 0.00 0.00 0.00 46.02 45.48 3ig4 n GLY 363 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ig4 s VAL 365 N -1.15 -0.77 0.19 1.61 1.01 -1.26 -0.67 120.40 119.37 3ig4 s VAL 365 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.02 3ig4 s VAL 365 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 3ig4 s VAL 365 CO 0.00 0.00 -0.04 0.27 0.00 0.00 0.00 175.10 175.33 3ig4 s ILE 366 N 2.68 1.06 0.19 2.22 -4.36 -0.03 -1.15 121.20 121.81 3ig4 s ILE 366 Ca -0.05 -2.04 0.06 0.00 -0.26 0.00 0.00 60.65 58.37 3ig4 s ILE 366 Cb -0.09 -2.13 -0.04 0.00 1.25 0.00 0.00 42.46 41.45 3ig4 s ILE 366 CO -0.18 -0.50 0.09 0.42 0.24 0.00 0.00 174.94 175.00 3ig4 s THR 367 N -3.40 4.14 -0.11 8.37 -4.23 0.12 0.16 115.64 120.69 3ig4 s THR 367 Ca 0.23 -1.32 -0.00 0.00 -1.18 0.00 0.00 61.69 59.42 3ig4 s THR 367 Cb 0.04 -3.14 0.02 0.00 1.34 0.00 0.00 72.50 70.77 3ig4 s THR 367 CO 0.05 -0.17 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.25 3ig4 s ILE 368 N -1.86 1.06 -0.42 2.99 -1.09 -0.65 -3.31 121.20 117.93 3ig4 s ILE 368 Ca 0.30 -0.31 0.08 0.00 -2.23 0.00 0.00 60.65 58.49 3ig4 s ILE 368 Cb -0.09 -1.07 0.26 0.00 -1.58 0.00 0.00 42.46 39.98 3ig4 s ILE 368 CO 0.22 0.37 0.66 -1.84 -1.23 0.00 0.00 174.94 173.12 3ig4 n GLU 369 N 4.92 0.77 -0.98 2.79 0.28 0.78 -1.44 120.64 127.75 3ig4 n GLU 369 Ca -0.13 -2.80 -0.29 0.00 -0.16 0.00 0.00 57.16 53.78 3ig4 n GLU 369 Cb 0.50 -1.32 0.19 0.00 1.43 0.00 0.00 31.44 32.24 3ig4 n GLU 369 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 3ig4 s PRO 370 N -0.76 0.24 -0.10 3.44 0.04 -1.23 -4.74 135.00 131.89 3ig4 s PRO 370 Ca 0.34 0.71 -0.32 0.00 0.04 0.00 0.00 61.00 61.77 3ig4 s PRO 370 Cb 0.21 -1.70 0.13 0.00 0.04 0.00 0.00 34.50 33.18 3ig4 s PRO 370 CO -0.14 -2.91 1.21 0.20 0.04 0.00 0.00 177.00 175.40 3ig4 s GLY 371 N -3.16 -0.35 -0.00 0.56 0.00 -1.26 -2.82 107.32 100.30 3ig4 s GLY 371 Ca 0.66 1.14 0.01 0.00 0.00 0.00 0.00 44.72 46.54 3ig4 s GLY 371 CO 0.59 0.34 -0.05 1.08 0.00 0.00 0.00 173.10 175.06 3ig4 s LEU 372 N -2.55 2.03 -0.25 0.66 1.43 0.10 -4.67 118.68 115.42 3ig4 s LEU 372 Ca 0.11 -0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 53.07 3ig4 s LEU 372 Cb 0.01 -0.22 0.08 0.00 0.03 0.00 0.00 46.19 46.09 3ig4 s LEU 372 CO -0.04 0.04 0.08 -0.31 0.23 0.00 0.00 176.35 176.34 3ig4 s TYR 373 N -0.20 1.05 -0.56 0.29 2.02 -0.14 -1.40 117.35 118.42 3ig4 s TYR 373 Ca 0.01 -1.13 -0.05 0.00 -0.37 0.00 0.00 57.07 55.53 3ig4 s TYR 373 Cb -0.02 -1.21 0.15 0.00 -0.40 0.00 0.00 41.96 40.47 3ig4 s TYR 373 CO -0.00 -0.74 0.40 0.42 -1.57 0.00 0.00 175.55 174.05 3ig4 s ILE 374 N 1.85 3.93 0.15 2.71 1.01 0.34 -4.52 121.20 126.66 3ig4 s ILE 374 Ca 0.05 -2.43 -0.17 0.00 0.00 0.00 0.00 60.65 58.10 3ig4 s ILE 374 Cb -0.17 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.73 3ig4 s ILE 374 CO -0.20 -0.83 1.80 -0.08 0.00 0.00 0.00 174.94 175.63 3ig4 h GLU 375 N 7.67 0.47 0.00 2.79 4.81 -1.93 -1.93 114.58 126.46 3ig4 h GLU 375 Ca -0.07 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3ig4 h GLU 375 Cb 1.01 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.28 3ig4 h GLU 375 CO 0.75 0.31 -0.06 1.05 -0.73 0.00 0.00 179.01 180.33 3ig4 h GLU 376 N 0.48 0.00 -0.47 1.92 9.09 -1.96 -2.07 114.58 121.58 3ig4 h GLU 376 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.55 3ig4 h GLU 376 Cb -0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.07 3ig4 h GLU 376 CO -0.05 0.06 0.00 0.39 0.05 0.00 0.00 179.01 179.46 3ig4 n GLU 377 N -3.27 2.51 -3.95 1.06 1.02 -0.91 -4.98 120.64 112.12 3ig4 n GLU 377 Ca -0.01 -2.29 -0.27 0.00 -0.02 0.00 0.00 57.16 54.57 3ig4 n GLU 377 Cb 0.26 -1.46 -0.01 0.00 -0.02 0.00 0.00 31.44 30.21 3ig4 n GLU 377 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3ig4 n SER 378 N 1.29 -1.61 -4.00 1.62 7.64 -0.77 -4.97 113.62 112.82 3ig4 n SER 378 Ca 0.19 -0.94 -0.28 0.00 1.01 0.00 0.00 58.87 58.84 3ig4 n SER 378 Cb 0.55 -3.30 -0.17 0.00 -1.01 0.00 0.00 64.21 60.28 3ig4 n SER 378 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ig4 s ILE 379 N -3.70 1.34 -0.11 0.44 1.01 -0.98 -3.87 121.20 115.34 3ig4 s ILE 379 Ca 0.22 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.36 3ig4 s ILE 379 Cb -0.12 -1.27 0.02 0.00 0.01 0.00 0.00 42.46 41.10 3ig4 s ILE 379 CO 0.87 0.42 -0.09 -0.83 0.00 0.00 0.00 174.94 175.31 3ig4 s GLY 380 N 1.33 0.84 -0.07 6.18 0.00 -1.26 -0.50 107.32 113.84 3ig4 s GLY 380 Ca -0.00 -0.54 0.01 0.00 0.00 0.00 0.00 44.72 44.19 3ig4 s GLY 380 CO -0.06 0.66 -0.09 -0.42 0.00 0.00 0.00 173.10 173.19 3ig4 s ILE 381 N 1.49 0.92 -0.02 0.90 1.01 -0.49 -4.62 121.20 120.39 3ig4 s ILE 381 Ca 0.01 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.35 3ig4 s ILE 381 Cb -0.13 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.46 3ig4 s ILE 381 CO -0.06 0.32 -0.03 -0.60 0.00 0.00 0.00 174.94 174.57 3ig4 s ARG 382 N 1.01 0.36 -0.07 2.79 3.52 -1.26 -0.72 118.95 124.58 3ig4 s ARG 382 Ca -0.09 -0.06 0.02 0.00 -0.13 0.00 0.00 55.73 55.47 3ig4 s ARG 382 Cb -0.15 -0.42 0.01 0.00 -1.56 0.00 0.00 34.95 32.84 3ig4 s ARG 382 CO -0.00 -0.01 -0.12 0.42 -0.81 0.00 0.00 175.30 174.78 3ig4 s ILE 383 N 0.39 1.12 -0.03 4.11 1.01 -1.13 -3.45 121.20 123.22 3ig4 s ILE 383 Ca -0.04 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.14 3ig4 s ILE 383 Cb -0.07 -1.02 0.03 0.00 0.01 0.00 0.00 42.46 41.41 3ig4 s ILE 383 CO -0.01 0.35 0.05 -0.70 0.00 0.00 0.00 174.94 174.63 3ig4 s GLU 384 N 0.68 -0.03 0.27 2.79 2.12 -0.86 -3.57 118.70 120.11 3ig4 s GLU 384 Ca -0.14 0.24 0.09 0.00 0.36 0.00 0.00 54.97 55.53 3ig4 s GLU 384 Cb -0.16 -0.28 -0.04 0.00 0.26 0.00 0.00 34.13 33.90 3ig4 s GLU 384 CO 0.03 -0.20 0.00 -0.51 -0.54 0.00 0.00 175.26 174.05 3ig4 s ASP 385 N 1.28 4.52 -0.32 -1.70 1.01 -0.52 -3.42 116.67 117.52 3ig4 s ASP 385 Ca -0.07 -0.68 -0.08 0.00 0.71 0.00 0.00 52.55 52.44 3ig4 s ASP 385 Cb -0.13 -0.81 0.02 0.00 1.01 0.00 0.00 42.92 43.01 3ig4 s ASP 385 CO -0.03 -0.03 0.11 -1.81 0.21 0.00 0.00 175.17 173.62 3ig4 s ASP 386 N -3.68 5.32 -0.06 0.27 1.01 -1.26 -1.63 116.67 116.63 3ig4 s ASP 386 Ca 0.32 -0.82 -0.00 0.00 0.71 0.00 0.00 52.55 52.76 3ig4 s ASP 386 Cb -0.06 -1.92 -0.03 0.00 1.01 0.00 0.00 42.92 41.92 3ig4 s ASP 386 CO 0.20 -0.25 -0.02 -0.63 0.21 0.00 0.00 175.17 174.68 3ig4 s ILE 387 N 1.50 4.11 -0.18 0.77 -1.09 0.12 -1.33 121.20 125.11 3ig4 s ILE 387 Ca 0.02 -0.41 -0.06 0.00 -2.23 0.00 0.00 60.65 57.96 3ig4 s ILE 387 Cb -0.18 -2.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.92 3ig4 s ILE 387 CO 0.04 0.54 0.04 -0.22 -1.23 0.00 0.00 174.94 174.10 3ig4 s LEU 388 N -1.07 3.66 -0.06 2.97 2.96 0.53 -0.85 118.68 126.81 3ig4 s LEU 388 Ca 0.15 0.02 -0.30 0.00 -0.22 0.00 0.00 54.13 53.78 3ig4 s LEU 388 Cb -0.11 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 3ig4 s LEU 388 CO 0.04 0.17 1.01 -0.69 -1.32 0.00 0.00 176.35 175.56 3ig4 s VAL 389 N 0.41 4.76 0.38 1.68 1.01 -1.26 0.13 120.40 127.51 3ig4 s VAL 389 Ca 0.01 2.01 0.04 0.00 0.00 0.00 0.00 61.98 64.04 3ig4 s VAL 389 Cb -0.13 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 32.00 3ig4 s VAL 389 CO 0.01 0.06 0.34 0.35 0.00 0.00 0.00 175.10 175.85 3ig4 n THR 390 N 4.33 0.00 -0.30 3.92 -2.24 0.90 -1.96 114.28 118.93 3ig4 n THR 390 Ca 0.08 -1.45 0.11 0.00 -2.27 0.00 0.00 64.05 60.52 3ig4 n THR 390 Cb 0.49 -0.28 0.34 0.00 -2.10 0.00 0.00 70.33 68.78 3ig4 n THR 390 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3ig4 h LYS 391 N 0.00 0.75 0.00 -0.78 3.64 -1.96 -3.27 116.57 114.95 3ig4 h LYS 391 Ca -0.23 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3ig4 h LYS 391 Cb 0.86 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3ig4 h LYS 391 CO 0.35 0.50 -0.15 -0.40 -2.27 0.00 0.00 179.45 177.48 3ig4 n ASP 392 N -4.59 0.08 0.00 4.20 5.75 -1.26 -4.74 116.55 115.99 3ig4 n ASP 392 Ca 0.18 -1.35 0.00 0.00 -0.01 0.00 0.00 54.79 53.61 3ig4 n ASP 392 Cb 0.45 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 3ig4 n ASP 392 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ig4 n GLY 393 N -0.03 0.94 3.26 6.12 0.00 -1.23 -4.85 105.19 109.40 3ig4 n GLY 393 Ca 0.00 0.28 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 3ig4 n GLY 393 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3ig4 s HIS 394 N 1.82 0.37 -0.07 1.61 -3.43 -1.24 -0.07 115.29 114.28 3ig4 s HIS 394 Ca 0.00 -0.77 0.00 0.00 -0.80 0.00 0.00 55.06 53.50 3ig4 s HIS 394 Cb 0.00 -0.12 0.02 0.00 -1.43 0.00 0.00 32.58 31.06 3ig4 s HIS 394 CO 0.00 -0.63 -0.06 -2.00 -2.00 0.00 0.00 174.74 170.06 3ig4 s GLU 395 N -3.94 1.11 -0.72 -0.38 2.12 0.12 -4.79 118.70 112.22 3ig4 s GLU 395 Ca 0.14 -0.15 -0.27 0.00 0.36 0.00 0.00 54.97 55.04 3ig4 s GLU 395 Cb 0.04 -1.15 0.03 0.00 0.26 0.00 0.00 34.13 33.31 3ig4 s GLU 395 CO -0.04 -0.15 1.25 1.21 -0.54 0.00 0.00 175.26 176.99 3ig4 s ASN 396 N 1.28 6.19 0.43 -1.70 3.84 -1.26 -0.35 114.94 123.37 3ig4 s ASN 396 Ca -0.05 -0.44 0.30 0.00 0.21 0.00 0.00 52.86 52.89 3ig4 s ASN 396 Cb -0.14 -2.55 1.45 0.00 -0.55 0.00 0.00 41.25 39.47 3ig4 s ASN 396 CO -0.02 -1.78 1.90 -0.07 -2.79 0.00 0.00 177.10 174.34 3ig4 h LEU 397 N 12.83 0.00 -3.25 3.21 3.38 -1.57 -2.45 115.31 127.46 3ig4 h LEU 397 Ca -0.28 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.51 3ig4 h LEU 397 Cb 1.05 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.66 3ig4 h LEU 397 CO 1.27 0.00 -0.61 -1.54 0.09 0.00 0.00 178.44 177.64 3ig4 n SER 398 N -2.61 2.74 0.20 -0.43 3.41 -1.25 -4.77 113.62 110.91 3ig4 n SER 398 Ca -0.00 -3.83 0.04 0.00 -0.26 0.00 0.00 58.87 54.81 3ig4 n SER 398 Cb 0.15 -0.47 0.41 0.00 -0.26 0.00 0.00 64.21 64.04 3ig4 n SER 398 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3ig4 h LYS 399 N 1.39 0.00 0.00 4.33 2.10 -1.80 -2.86 116.57 119.72 3ig4 h LYS 399 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 3ig4 h LYS 399 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 3ig4 h LYS 399 CO 0.25 0.32 0.00 -0.44 -2.00 0.00 0.00 179.45 177.57 3ig4 h ASP 400 N 0.00 0.00 -3.10 7.07 3.32 -1.86 -3.41 116.42 118.44 3ig4 h ASP 400 Ca -0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 3ig4 h ASP 400 Cb 0.57 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.07 3ig4 h ASP 400 CO 0.04 0.00 0.94 -0.63 -1.72 0.00 0.00 179.24 177.87 3ig4 s ILE 401 N -3.86 4.22 0.29 0.35 1.01 -1.08 -4.98 121.20 117.16 3ig4 s ILE 401 Ca -0.02 1.41 -0.29 0.00 0.00 0.00 0.00 60.65 61.74 3ig4 s ILE 401 Cb 0.10 -4.15 -0.10 0.00 0.01 0.00 0.00 42.46 38.32 3ig4 s ILE 401 CO 0.39 -0.39 1.38 0.27 0.00 0.00 0.00 174.94 176.58 3ig4 s ILE 402 N 4.08 2.65 0.00 2.92 -4.36 -1.26 -4.93 121.20 120.30 3ig4 s ILE 402 Ca 0.54 0.60 0.00 0.00 -0.26 0.00 0.00 60.65 61.54 3ig4 s ILE 402 Cb -0.17 -3.38 0.00 0.00 1.25 0.00 0.00 42.46 40.15 3ig4 s ILE 402 CO 0.20 0.12 0.00 0.54 0.24 0.00 0.00 174.94 176.04 3ig4 n ARG 403 N 1.51 2.15 -2.32 0.37 5.12 -1.26 -4.91 116.66 117.33 3ig4 n ARG 403 Ca 0.03 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.55 3ig4 n ARG 403 Cb 0.41 -0.83 -0.03 0.00 -1.16 0.00 0.00 32.46 30.85 3ig4 n ARG 403 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3ig4 s GLU 404 N -1.35 4.45 0.25 5.56 0.41 -1.26 -4.88 118.70 121.88 3ig4 s GLU 404 Ca 0.00 1.96 -0.04 0.00 -0.41 0.00 0.00 54.97 56.48 3ig4 s GLU 404 Cb 0.00 -3.07 0.49 0.00 -1.78 0.00 0.00 34.13 29.77 3ig4 s GLU 404 CO 0.00 -0.01 1.70 0.28 -0.49 0.00 0.00 175.26 176.74 3ig4 h VAL 405 N 2.96 0.54 -0.53 2.63 2.07 -1.99 -0.35 116.25 121.59 3ig4 h VAL 405 Ca -0.48 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 3ig4 h VAL 405 Cb 1.22 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3ig4 h VAL 405 CO 0.66 0.06 0.13 -0.33 0.02 0.00 0.00 177.57 178.11 3ig4 h GLU 406 N 0.32 0.85 -0.57 1.57 3.07 -2.00 -2.10 114.58 115.72 3ig4 h GLU 406 Ca 0.43 -0.20 -0.05 0.00 -0.50 0.00 0.00 59.36 59.04 3ig4 h GLU 406 Cb 0.73 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.50 3ig4 h GLU 406 CO -0.49 0.80 0.17 0.93 -1.40 0.00 0.00 179.01 179.02 3ig4 h GLU 407 N 0.74 0.86 0.12 2.33 5.08 -1.50 -1.60 114.58 120.62 3ig4 h GLU 407 Ca 0.17 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3ig4 h GLU 407 Cb 0.34 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3ig4 h GLU 407 CO 0.00 0.75 -0.06 0.82 -1.00 0.00 0.00 179.01 179.53 3ig4 h ILE 408 N 0.84 1.05 -0.77 3.13 2.04 -0.97 -1.53 117.51 121.31 3ig4 h ILE 408 Ca 0.19 -1.10 0.06 0.00 1.00 0.00 0.00 64.86 65.00 3ig4 h ILE 408 Cb 0.26 1.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 3ig4 h ILE 408 CO -0.01 0.25 0.50 -0.33 0.00 0.00 0.00 178.15 178.56 3ig4 h GLU 409 N -0.72 0.81 -0.24 2.37 5.08 -1.35 -1.90 114.58 118.63 3ig4 h GLU 409 Ca -0.02 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3ig4 h GLU 409 Cb 0.53 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3ig4 h GLU 409 CO 0.03 0.54 -0.11 1.49 -1.00 0.00 0.00 179.01 179.95 3ig4 h GLU 410 N 0.84 0.51 -1.08 2.33 4.57 -1.29 -2.53 114.58 117.93 3ig4 h GLU 410 Ca 0.33 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3ig4 h GLU 410 Cb 0.22 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 3ig4 h GLU 410 CO -0.11 0.77 0.00 0.34 -1.18 0.00 0.00 179.01 178.83 3ig4 n PHE 411 N -4.50 0.00 0.00 0.92 7.35 -0.58 -1.51 117.46 119.15 3ig4 n PHE 411 Ca -0.04 -0.04 0.00 0.00 -0.76 0.00 0.00 57.45 56.61 3ig4 n PHE 411 Cb 0.34 -0.07 0.00 0.00 0.35 0.00 0.00 39.48 40.10 3ig4 n PHE 411 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 3ig4 n ARG 413 N 0.69 0.00 -0.25 -4.13 0.63 -0.95 -1.14 116.66 111.51 3ig4 n ARG 413 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 3ig4 n ARG 413 Cb 0.06 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.02 3ig4 n ARG 413 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3ig4 h GLU 414 N 0.00 1.06 0.00 -0.14 5.08 -1.56 -3.37 114.58 115.65 3ig4 h GLU 414 Ca 0.00 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.04 3ig4 h GLU 414 Cb 0.00 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3ig4 h GLU 414 CO 0.00 0.90 -1.86 0.09 -1.00 0.00 0.00 179.01 177.14 3ig4 n ASN 415 N -4.34 1.24 -4.57 1.42 4.13 -0.29 -4.91 115.26 107.94 3ig4 n ASN 415 Ca 0.05 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.88 3ig4 n ASN 415 Cb 0.20 1.42 -0.03 0.00 -1.54 0.00 0.00 39.78 39.84 3ig4 n ASN 415 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3ig4 s ASN 416 N -4.27 6.49 0.13 6.41 3.84 -1.26 -4.85 114.94 121.44 3ig4 s ASN 416 Ca -0.07 0.13 -0.07 0.00 0.21 0.00 0.00 52.86 53.06 3ig4 s ASN 416 Cb 0.08 -2.51 0.17 0.00 -0.55 0.00 0.00 41.25 38.44 3ig4 s ASN 416 CO 0.66 -1.29 0.81 0.52 -2.79 0.00 0.00 177.10 175.01 3ig4 n VAL 417 N 6.59 -0.25 -2.54 -5.21 0.31 -1.24 -2.22 118.33 113.76 3ig4 n VAL 417 Ca 0.08 1.21 -0.35 0.00 -0.01 0.00 0.00 64.34 65.27 3ig4 n VAL 417 Cb 0.49 -1.63 0.01 0.00 -0.91 0.00 0.00 33.84 31.80 3ig4 n VAL 417 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3ig4 n ASN 418 N -4.80 6.32 0.00 4.52 2.04 -1.26 -5.20 115.26 116.88 3ig4 n ASN 418 Ca 0.06 -3.73 0.00 0.00 -0.44 0.00 0.00 54.58 50.48 3ig4 n ASN 418 Cb 0.23 -0.90 0.00 0.00 -2.53 0.00 0.00 39.78 36.58 3ig4 n ASN 418 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34