#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 0.37 -1.00 3.14 4.64 -1.81 -0.36 113.55 118.52 3ig4 h SER 3 Ca 0.00 0.02 0.24 0.00 -0.47 0.00 0.00 61.79 61.58 3ig4 h SER 3 Cb 0.00 -0.06 -0.09 0.00 -0.31 0.00 0.00 62.40 61.94 3ig4 h SER 3 CO 0.00 0.20 0.64 0.50 -0.87 0.00 0.00 176.83 177.30 3ig4 h LYS 4 N 0.39 0.44 -0.02 4.77 3.64 -1.89 -0.03 116.57 123.88 3ig4 h LYS 4 Ca 0.35 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.72 3ig4 h LYS 4 Cb 0.80 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 3ig4 h LYS 4 CO -0.10 0.29 -0.08 0.35 -2.27 0.00 0.00 179.45 177.64 3ig4 h PHE 5 N 0.46 -0.20 -0.08 1.91 3.57 -1.46 -1.70 116.94 119.45 3ig4 h PHE 5 Ca 0.56 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.93 3ig4 h PHE 5 Cb 1.33 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 3ig4 h PHE 5 CO -0.00 -0.12 -0.59 0.74 -2.23 0.00 0.00 178.31 176.10 3ig4 h PHE 6 N -0.13 0.33 -0.79 0.41 0.04 -1.46 -2.23 116.94 113.11 3ig4 h PHE 6 Ca 0.04 -0.12 -0.03 0.00 2.80 0.00 0.00 57.97 60.65 3ig4 h PHE 6 Cb 0.18 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.23 3ig4 h PHE 6 CO -0.16 0.79 0.36 0.00 -0.60 0.00 0.00 178.31 178.70 3ig4 h ALA 7 N 1.18 1.15 -0.14 2.45 0.00 -0.79 -1.12 119.26 121.99 3ig4 h ALA 7 Ca -0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 3ig4 h ALA 7 Cb 1.10 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3ig4 h ALA 7 CO 0.09 0.64 -0.58 1.96 0.00 0.00 0.00 179.25 181.36 3ig4 h GLN 8 N 1.13 0.43 -0.39 0.00 4.20 -1.12 -2.21 115.11 117.16 3ig4 h GLN 8 Ca 0.27 -0.28 0.03 0.00 0.06 0.00 0.00 58.65 58.72 3ig4 h GLN 8 Cb 0.14 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 3ig4 h GLN 8 CO -0.03 0.89 0.20 -0.91 -0.67 0.00 0.00 178.83 178.31 3ig4 h ASN 9 N 0.33 0.30 -0.04 1.46 2.35 -0.76 -1.73 115.58 117.49 3ig4 h ASN 9 Ca 0.00 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 3ig4 h ASN 9 Cb 1.10 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 3ig4 h ASN 9 CO 0.10 0.22 -0.11 0.03 -1.65 0.00 0.00 177.43 176.01 3ig4 h ARG 10 N 0.41 0.32 -0.62 0.81 3.08 -1.02 -0.56 114.38 116.79 3ig4 h ARG 10 Ca 0.17 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 3ig4 h ARG 10 Cb 0.07 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3ig4 h ARG 10 CO -0.11 0.44 0.03 0.93 -1.07 0.00 0.00 179.97 180.19 3ig4 h GLU 11 N 0.30 1.07 -0.34 0.04 5.08 -0.90 -0.01 114.58 119.82 3ig4 h GLU 11 Ca 0.06 -0.32 -0.12 0.00 -1.00 0.00 0.00 59.36 57.98 3ig4 h GLU 11 Cb 0.39 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3ig4 h GLU 11 CO 0.02 1.02 -0.26 0.00 -1.00 0.00 0.00 179.01 178.80 3ig4 h ARG 12 N 0.98 0.77 -0.54 2.33 3.08 -0.95 -2.84 114.38 117.21 3ig4 h ARG 12 Ca 0.18 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3ig4 h ARG 12 Cb 0.52 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 3ig4 h ARG 12 CO 0.03 1.00 0.35 1.25 -1.07 0.00 0.00 179.97 181.53 3ig4 h LEU 13 N 0.54 0.63 -0.94 3.04 5.85 -0.96 -2.24 115.31 121.24 3ig4 h LEU 13 Ca 0.06 -0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.87 3ig4 h LEU 13 Cb 0.82 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.61 3ig4 h LEU 13 CO 0.07 0.47 0.57 0.58 -0.34 0.00 0.00 178.44 179.79 3ig4 h VAL 14 N 0.74 0.88 0.00 1.05 2.07 -0.91 -1.47 116.25 118.61 3ig4 h VAL 14 Ca 0.20 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3ig4 h VAL 14 Cb -0.06 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.62 3ig4 h VAL 14 CO -0.04 0.16 0.00 0.59 0.02 0.00 0.00 177.57 178.30 3ig4 n ASN 15 N -4.69 0.00 0.00 0.57 3.02 -0.85 -2.06 115.26 111.25 3ig4 n ASN 15 Ca 0.18 0.27 0.11 0.00 -0.03 0.00 0.00 54.58 55.10 3ig4 n ASN 15 Cb 0.36 -0.39 -0.11 0.00 -0.61 0.00 0.00 39.78 39.02 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 -1.39 0.02 -3.65 3.41 -2.24 -0.57 -4.95 114.28 104.91 3ig4 n THR 16 Ca 0.06 -0.19 -0.38 0.00 -2.27 0.00 0.00 64.05 61.28 3ig4 n THR 16 Cb 0.18 0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 68.92 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 -3.60 4.43 1.03 3.22 1.43 -0.88 -5.08 118.68 119.23 3ig4 s LEU 17 Ca 0.03 0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 53.76 3ig4 s LEU 17 Cb 0.15 -2.37 0.21 0.00 0.03 0.00 0.00 46.19 44.21 3ig4 s LEU 17 CO 0.87 0.34 1.09 -2.16 0.23 0.00 0.00 176.35 176.72 3ig4 s PRO 18 N -0.95 0.14 0.79 1.29 0.04 -1.26 -4.98 135.00 130.07 3ig4 s PRO 18 Ca 0.20 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.35 3ig4 s PRO 18 Cb -0.15 -1.65 0.07 0.00 0.04 0.00 0.00 34.50 32.81 3ig4 s PRO 18 CO 0.09 -3.13 1.13 0.34 0.04 0.00 0.00 177.00 175.47 3ig4 s ASP 19 N -2.61 4.64 -1.29 6.66 2.15 -1.26 -4.23 116.67 120.73 3ig4 s ASP 19 Ca 0.67 1.04 -0.01 0.00 0.43 0.00 0.00 52.55 54.68 3ig4 s ASP 19 Cb -0.24 -1.70 0.01 0.00 -0.30 0.00 0.00 42.92 40.69 3ig4 s ASP 19 CO 0.61 -1.84 0.84 -0.62 -0.17 0.00 0.00 175.17 173.99 3ig4 n GLU 20 N -3.32 -5.68 -3.90 4.34 -0.58 0.16 -5.00 120.64 106.66 3ig4 n GLU 20 Ca 0.07 0.71 -0.10 0.00 -0.42 0.00 0.00 57.16 57.42 3ig4 n GLU 20 Cb 0.58 -5.47 -0.10 0.00 -0.57 0.00 0.00 31.44 25.89 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 -4.25 0.10 0.12 1.62 1.04 -0.68 -4.26 113.70 107.39 3ig4 s SER 21 Ca 0.07 -0.33 0.09 0.00 0.48 0.00 0.00 55.95 56.26 3ig4 s SER 21 Cb -0.03 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 3ig4 s SER 21 CO 0.78 -0.39 -0.18 -0.51 0.98 0.00 0.00 173.24 173.92 3ig4 s ILE 22 N -1.65 2.83 -0.04 -1.02 2.07 -0.25 -1.23 121.20 121.92 3ig4 s ILE 22 Ca -0.13 -1.51 0.02 0.00 -1.41 0.00 0.00 60.65 57.63 3ig4 s ILE 22 Cb -0.07 -2.30 0.01 0.00 0.13 0.00 0.00 42.46 40.23 3ig4 s ILE 22 CO -0.00 0.10 -0.09 -0.89 -1.91 0.00 0.00 174.94 172.15 3ig4 s THR 23 N -1.14 0.84 -0.06 4.00 2.01 -0.41 -0.11 115.64 120.76 3ig4 s THR 23 Ca 0.18 -0.36 0.03 0.00 0.31 0.00 0.00 61.69 61.85 3ig4 s THR 23 Cb -0.11 -0.76 0.01 0.00 0.01 0.00 0.00 72.50 71.65 3ig4 s THR 23 CO 0.10 0.27 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.51 3ig4 s ILE 24 N 0.37 1.37 -0.02 1.82 1.01 -0.67 -0.97 121.20 124.11 3ig4 s ILE 24 Ca -0.06 -0.64 0.07 0.00 0.00 0.00 0.00 60.65 60.02 3ig4 s ILE 24 Cb -0.11 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 3ig4 s ILE 24 CO 0.01 0.40 -0.24 -0.76 0.00 0.00 0.00 174.94 174.35 3ig4 s LEU 25 N 0.38 2.05 -0.16 2.97 1.43 -0.04 -4.24 118.68 121.07 3ig4 s LEU 25 Ca -0.11 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.51 3ig4 s LEU 25 Cb -0.14 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.80 3ig4 s LEU 25 CO 0.04 0.30 -0.05 -0.36 0.23 0.00 0.00 176.35 176.50 3ig4 s PHE 26 N -0.55 2.98 0.31 0.29 0.08 -1.26 -0.76 117.98 119.07 3ig4 s PHE 26 Ca 0.09 -0.44 -0.00 0.00 0.12 0.00 0.00 56.93 56.69 3ig4 s PHE 26 Cb -0.10 -1.96 0.51 0.00 -0.57 0.00 0.00 43.02 40.90 3ig4 s PHE 26 CO -0.01 -0.14 1.98 0.00 -0.10 0.00 0.00 175.22 176.95 3ig4 h ALA 27 N 6.91 1.46 0.00 5.36 0.00 -1.70 -3.46 119.26 127.83 3ig4 h ALA 27 Ca -0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3ig4 h ALA 27 Cb 1.19 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3ig4 h ALA 27 CO 0.61 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.76 3ig4 n GLY 28 N -1.42 -0.70 3.21 0.00 0.00 -1.26 -4.21 105.19 100.81 3ig4 n GLY 28 Ca 0.09 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 3ig4 n GLY 28 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ig4 s GLN 29 N -1.08 0.96 0.31 1.61 0.00 -1.26 -0.42 119.66 119.78 3ig4 s GLN 29 Ca 0.00 -1.39 -0.29 0.00 -0.00 0.00 0.00 55.36 53.68 3ig4 s GLN 29 Cb 0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 33.01 32.46 3ig4 s GLN 29 CO 0.00 0.04 1.37 0.00 0.00 0.00 0.00 175.29 176.70 3ig4 s ALA 30 N -3.41 3.55 0.61 2.60 0.00 -1.26 -4.98 121.76 118.87 3ig4 s ALA 30 Ca 0.14 1.32 -0.16 0.00 0.00 0.00 0.00 51.96 53.25 3ig4 s ALA 30 Cb 0.03 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 3ig4 s ALA 30 CO -0.02 -0.72 1.10 -1.25 0.00 0.00 0.00 175.76 174.87 3ig4 s PRO 31 N -1.31 3.11 1.11 0.00 0.04 -1.26 -4.80 135.00 131.88 3ig4 s PRO 31 Ca 0.53 1.38 -0.12 0.00 0.04 0.00 0.00 61.00 62.83 3ig4 s PRO 31 Cb -0.41 -1.99 0.26 0.00 0.04 0.00 0.00 34.50 32.39 3ig4 s PRO 31 CO 0.51 -1.01 1.05 -1.58 0.04 0.00 0.00 177.00 176.01 3ig4 s HIS 32 N -2.24 1.38 -0.03 0.56 5.65 -1.26 -1.50 115.29 117.86 3ig4 s HIS 32 Ca 0.67 1.34 -0.12 0.00 0.25 0.00 0.00 55.06 57.20 3ig4 s HIS 32 Cb -0.20 -3.15 -0.05 0.00 -1.18 0.00 0.00 32.58 28.00 3ig4 s HIS 32 CO 0.36 -3.66 0.33 0.45 -0.65 0.00 0.00 174.74 171.56 3ig4 s SER 34 N -2.52 6.67 0.88 9.88 0.15 -1.03 -4.69 113.70 123.04 3ig4 s SER 34 Ca 0.68 0.80 0.00 0.00 0.70 0.00 0.00 55.95 58.13 3ig4 s SER 34 Cb -0.25 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 3ig4 s SER 34 CO 0.63 0.34 0.00 0.00 1.20 0.00 0.00 173.24 175.41 3ig4 n ALA 35 N 1.79 0.00 1.45 5.45 0.00 -1.26 0.17 120.51 128.11 3ig4 n ALA 35 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.41 3ig4 n ALA 35 Cb 0.53 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.48 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 3.39 1.40 -4.83 0.00 5.75 -1.26 -4.91 116.55 116.08 3ig4 n ASP 36 Ca 0.00 -1.54 -0.36 0.00 -0.01 0.00 0.00 54.79 52.88 3ig4 n ASP 36 Cb 0.00 -0.04 -0.06 0.00 -1.03 0.00 0.00 41.12 39.99 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 -1.92 3.55 0.25 2.12 0.00 0.13 -5.09 121.76 120.80 3ig4 s ALA 37 Ca 0.36 -0.05 0.09 0.00 0.00 0.00 0.00 51.96 52.36 3ig4 s ALA 37 Cb 0.19 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.67 3ig4 s ALA 37 CO 0.30 0.42 0.01 -1.01 0.00 0.00 0.00 175.76 175.48 3ig4 s HIS 38 N -1.43 2.73 1.03 0.00 3.76 -1.26 -2.45 115.29 117.68 3ig4 s HIS 38 Ca 0.38 -0.21 -0.12 0.00 -0.15 0.00 0.00 55.06 54.96 3ig4 s HIS 38 Cb -0.16 -1.23 0.21 0.00 1.11 0.00 0.00 32.58 32.51 3ig4 s HIS 38 CO 0.19 0.60 1.07 0.71 -0.85 0.00 0.00 174.74 176.47 3ig4 s TYR 39 N -2.23 1.80 0.28 1.40 2.02 -0.56 -4.96 117.35 115.09 3ig4 s TYR 39 Ca 0.31 1.21 -0.30 0.00 -0.37 0.00 0.00 57.07 57.92 3ig4 s TYR 39 Cb -0.07 -3.18 -0.11 0.00 -0.40 0.00 0.00 41.96 38.20 3ig4 s TYR 39 CO 0.20 -3.17 1.50 0.15 -1.57 0.00 0.00 175.55 172.66 3ig4 s LYS 40 N -4.72 4.20 0.25 -0.62 1.02 -1.26 -4.72 119.74 113.89 3ig4 s LYS 40 Ca 0.66 2.42 -0.30 0.00 0.02 0.00 0.00 55.97 58.78 3ig4 s LYS 40 Cb -0.21 -3.07 -0.10 0.00 -0.52 0.00 0.00 37.83 33.93 3ig4 s LYS 40 CO 0.60 -0.50 1.42 0.12 -0.92 0.00 0.00 175.35 176.07 3ig4 s PHE 41 N -0.10 3.04 -0.28 3.18 5.36 -1.26 -4.88 117.98 123.03 3ig4 s PHE 41 Ca 0.60 1.06 0.03 0.00 -0.96 0.00 0.00 56.93 57.67 3ig4 s PHE 41 Cb -0.44 -3.80 0.07 0.00 -0.34 0.00 0.00 43.02 38.51 3ig4 s PHE 41 CO 0.46 -2.57 -0.07 0.08 -1.46 0.00 0.00 175.22 171.67 3ig4 s VAL 42 N -0.05 2.19 0.14 3.12 1.01 -1.26 -5.07 120.40 120.48 3ig4 s VAL 42 Ca 0.59 -1.83 -0.34 0.00 0.00 0.00 0.00 61.98 60.39 3ig4 s VAL 42 Cb -0.41 -2.39 -0.15 0.00 0.00 0.00 0.00 36.38 33.42 3ig4 s VAL 42 CO 0.43 -0.19 1.35 -2.65 0.00 0.00 0.00 175.10 174.04 3ig4 n PRO 43 N 4.38 1.45 -1.88 2.72 -0.02 -1.26 -4.85 135.00 135.55 3ig4 n PRO 43 Ca -0.09 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 3ig4 n PRO 43 Cb 0.42 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 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 0.41 6.57 0.20 2.55 3.84 -1.26 -4.89 114.94 122.36 3ig4 s ASN 44 Ca 0.78 2.48 -0.09 0.00 0.21 0.00 0.00 52.86 56.24 3ig4 s ASN 44 Cb -0.84 -2.55 0.12 0.00 -0.55 0.00 0.00 41.25 37.44 3ig4 s ASN 44 CO 0.47 -0.95 1.76 0.03 -2.79 0.00 0.00 177.10 175.62 3ig4 h ARG 45 N 9.21 1.08 -0.60 0.43 2.47 -1.94 0.78 114.38 125.82 3ig4 h ARG 45 Ca -0.43 -0.20 -0.01 0.00 -1.26 0.00 0.00 59.98 58.08 3ig4 h ARG 45 Cb 1.20 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 29.32 3ig4 h ARG 45 CO 0.94 0.90 0.34 -0.91 0.56 0.00 0.00 179.97 181.80 3ig4 h ASN 46 N 1.04 0.74 -0.41 7.04 2.35 -1.99 0.14 115.58 124.48 3ig4 h ASN 46 Ca 0.24 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 3ig4 h ASN 46 Cb 0.22 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 3ig4 h ASN 46 CO -0.02 0.61 0.11 0.15 -1.65 0.00 0.00 177.43 176.63 3ig4 h PHE 47 N 0.81 0.68 -0.42 1.19 3.57 -1.73 -2.55 116.94 118.50 3ig4 h PHE 47 Ca 0.21 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 3ig4 h PHE 47 Cb 0.02 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 3ig4 h PHE 47 CO -0.01 0.64 0.17 -0.92 -2.23 0.00 0.00 178.31 175.95 3ig4 h TYR 48 N 0.53 0.64 0.00 0.41 5.03 -0.63 -0.92 116.97 122.03 3ig4 h TYR 48 Ca 0.13 -0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.38 3ig4 h TYR 48 Cb 0.29 -0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.38 3ig4 h TYR 48 CO 0.02 0.56 -0.05 -0.92 -1.32 0.00 0.00 178.16 176.45 3ig4 h TYR 49 N 0.54 0.00 0.06 -3.82 3.20 -0.55 0.53 116.97 116.92 3ig4 h TYR 49 Ca 0.14 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.68 3ig4 h TYR 49 Cb 0.19 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 3ig4 h TYR 49 CO 0.00 0.05 -1.85 0.28 -1.64 0.00 0.00 178.16 175.00 3ig4 n VAL 50 N -4.10 1.69 -0.04 1.81 0.31 -0.93 -4.61 118.33 112.47 3ig4 n VAL 50 Ca -0.03 -0.73 -0.03 0.00 -0.01 0.00 0.00 64.34 63.54 3ig4 n VAL 50 Cb 0.14 -1.35 -0.07 0.00 -0.91 0.00 0.00 33.84 31.64 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 -3.24 0.50 -1.14 2.52 -2.24 -0.40 -4.65 114.28 105.64 3ig4 n THR 51 Ca -0.24 -0.36 -0.04 0.00 -2.27 0.00 0.00 64.05 61.14 3ig4 n THR 51 Cb 1.05 -0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 68.71 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 2.33 0.67 3.41 3.38 0.00 0.18 -3.95 105.19 111.22 3ig4 n GLY 52 Ca -0.12 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.15 3.64 -1.48 -0.61 -1.09 -1.26 -4.77 121.20 113.49 3ig4 s ILE 53 Ca 0.00 -0.43 0.17 0.00 -2.23 0.00 0.00 60.65 58.16 3ig4 s ILE 53 Cb 0.00 -2.62 0.48 0.00 -1.58 0.00 0.00 42.46 38.74 3ig4 s ILE 53 CO 0.00 0.46 1.40 -0.90 -1.23 0.00 0.00 174.94 174.67 3ig4 n ASP 54 N 4.07 3.45 -4.94 3.58 5.75 -1.26 -4.56 116.55 122.64 3ig4 n ASP 54 Ca -0.18 -1.99 -0.24 0.00 -0.01 0.00 0.00 54.79 52.37 3ig4 n ASP 54 Cb 0.52 -0.36 -0.01 0.00 -1.03 0.00 0.00 41.12 40.24 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 -1.01 3.43 0.49 0.11 2.02 -1.26 -4.71 118.70 117.77 3ig4 s GLU 55 Ca 0.36 -0.25 -0.18 0.00 0.02 0.00 0.00 54.97 54.92 3ig4 s GLU 55 Cb 0.19 -2.59 -0.09 0.00 0.10 0.00 0.00 34.13 31.74 3ig4 s GLU 55 CO 0.25 0.01 0.97 -1.25 0.02 0.00 0.00 175.26 175.26 3ig4 s PRO 56 N -4.44 4.03 0.00 0.39 0.04 -1.26 -4.48 135.00 129.28 3ig4 s PRO 56 Ca 0.43 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.47 3ig4 s PRO 56 Cb -0.10 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.29 3ig4 s PRO 56 CO 0.38 -0.20 0.00 0.09 0.04 0.00 0.00 177.00 177.31 3ig4 n ASN 57 N -1.31 -1.45 -4.87 6.66 3.02 0.44 -4.93 115.26 112.83 3ig4 n ASN 57 Ca 0.07 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.31 3ig4 n ASN 57 Cb 0.54 -0.30 -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 -3.01 4.69 0.00 2.41 1.01 -1.26 -4.74 120.40 119.51 3ig4 s VAL 58 Ca 0.00 0.84 0.05 0.00 0.00 0.00 0.00 61.98 62.87 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 -0.76 -0.15 -0.63 0.00 0.00 0.00 175.10 173.56 3ig4 s ILE 59 N -2.69 1.17 0.53 2.22 1.01 -0.47 -1.86 121.20 121.11 3ig4 s ILE 59 Ca 0.54 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 60.47 3ig4 s ILE 59 Cb -0.10 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.37 3ig4 s ILE 59 CO 0.38 0.25 0.08 0.12 0.00 0.00 0.00 174.94 175.77 3ig4 s PHE 60 N -0.48 1.75 -0.30 3.97 5.36 0.06 -0.71 117.98 127.63 3ig4 s PHE 60 Ca 0.05 -0.96 -0.18 0.00 -0.96 0.00 0.00 56.93 54.88 3ig4 s PHE 60 Cb -0.06 -1.65 0.17 0.00 -0.34 0.00 0.00 43.02 41.14 3ig4 s PHE 60 CO -0.00 0.07 1.23 -1.17 -1.46 0.00 0.00 175.22 173.89 3ig4 s LEU 62 N -3.97 -0.09 -0.12 6.12 0.20 -0.15 -0.86 118.68 119.81 3ig4 s LEU 62 Ca 0.08 0.06 -0.13 0.00 0.69 0.00 0.00 54.13 54.84 3ig4 s LEU 62 Cb 0.00 1.08 -0.05 0.00 -0.43 0.00 0.00 46.19 46.79 3ig4 s LEU 62 CO 0.05 -0.02 0.30 -0.54 -0.29 0.00 0.00 176.35 175.85 3ig4 s LYS 63 N 2.89 4.06 -0.27 1.98 1.02 -0.30 -1.29 119.74 127.83 3ig4 s LYS 63 Ca -0.09 0.13 0.01 0.00 0.02 0.00 0.00 55.97 56.05 3ig4 s LYS 63 Cb -0.08 -3.35 0.08 0.00 -0.52 0.00 0.00 37.83 33.96 3ig4 s LYS 63 CO -0.08 0.41 -0.01 0.21 -0.92 0.00 0.00 175.35 174.97 3ig4 s LYS 64 N -0.08 1.47 -0.02 1.68 2.20 -0.36 -1.16 119.74 123.46 3ig4 s LYS 64 Ca 0.18 -1.23 -0.01 0.00 -0.36 0.00 0.00 55.97 54.56 3ig4 s LYS 64 Cb -0.14 -2.65 0.02 0.00 -1.51 0.00 0.00 37.83 33.56 3ig4 s LYS 64 CO 0.06 -0.74 0.05 -0.06 -0.36 0.00 0.00 175.35 174.30 3ig4 s PHE 65 N 1.30 -0.02 0.00 4.03 0.08 -0.92 -0.67 117.98 121.79 3ig4 s PHE 65 Ca 0.00 0.17 0.00 0.00 0.12 0.00 0.00 56.93 57.22 3ig4 s PHE 65 Cb -0.19 -0.14 0.00 0.00 -0.57 0.00 0.00 43.02 42.12 3ig4 s PHE 65 CO -0.10 -0.08 0.00 0.41 -0.10 0.00 0.00 175.22 175.35 3ig4 n GLY 66 N 3.86 3.33 0.17 4.36 0.00 -1.26 0.51 105.19 116.16 3ig4 n GLY 66 Ca -0.23 0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 5.29 1.26 -4.80 1.61 3.02 -1.26 -4.91 115.26 115.47 3ig4 n ASN 67 Ca 0.00 -1.07 -0.33 0.00 -0.03 0.00 0.00 54.58 53.15 3ig4 n ASN 67 Cb 0.00 0.70 0.01 0.00 -0.61 0.00 0.00 39.78 39.88 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 -2.81 5.81 -0.20 6.41 0.01 0.18 -5.07 113.70 118.04 3ig4 s SER 68 Ca 0.13 1.85 -0.04 0.00 1.31 0.00 0.00 55.95 59.19 3ig4 s SER 68 Cb 0.17 -2.54 0.10 0.00 0.21 0.00 0.00 66.02 63.96 3ig4 s SER 68 CO 0.74 -1.15 0.30 -0.69 0.41 0.00 0.00 173.24 172.85 3ig4 s VAL 69 N -2.38 -0.46 -0.20 3.43 1.01 -1.26 -2.17 120.40 118.37 3ig4 s VAL 69 Ca 0.64 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.64 3ig4 s VAL 69 Cb -0.16 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.57 3ig4 s VAL 69 CO 0.35 -0.08 -0.16 -1.61 0.00 0.00 0.00 175.10 173.60 3ig4 s GLU 70 N 2.44 2.90 -0.17 2.72 2.02 -0.31 -4.97 118.70 123.33 3ig4 s GLU 70 Ca 0.07 -0.90 -0.08 0.00 0.02 0.00 0.00 54.97 54.08 3ig4 s GLU 70 Cb -0.15 -2.70 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 3ig4 s GLU 70 CO -0.13 -0.28 0.11 -1.21 0.02 0.00 0.00 175.26 173.78 3ig4 s GLU 71 N 1.28 3.89 0.01 1.61 2.02 -1.26 -1.15 118.70 125.10 3ig4 s GLU 71 Ca 0.03 -0.23 0.02 0.00 0.02 0.00 0.00 54.97 54.80 3ig4 s GLU 71 Cb -0.15 -3.28 -0.01 0.00 0.10 0.00 0.00 34.13 30.79 3ig4 s GLU 71 CO -0.10 0.44 -0.06 0.99 0.02 0.00 0.00 175.26 176.55 3ig4 s THR 72 N -0.07 0.44 -0.03 3.63 2.01 -1.26 -4.22 115.64 116.13 3ig4 s THR 72 Ca 0.09 -0.53 0.06 0.00 0.31 0.00 0.00 61.69 61.62 3ig4 s THR 72 Cb -0.12 -0.43 -0.02 0.00 0.01 0.00 0.00 72.50 71.94 3ig4 s THR 72 CO 0.00 -0.07 -0.20 -0.76 -0.69 0.00 0.00 174.62 172.90 3ig4 s LEU 73 N -0.66 2.40 -0.22 4.42 1.43 -0.75 -4.48 118.68 120.82 3ig4 s LEU 73 Ca -0.03 -0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 3ig4 s LEU 73 Cb -0.05 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 3ig4 s LEU 73 CO 0.00 0.33 -0.03 -0.36 0.23 0.00 0.00 176.35 176.52 3ig4 s PHE 74 N -0.69 2.97 0.42 0.29 0.40 0.12 -0.37 117.98 121.11 3ig4 s PHE 74 Ca 0.11 -0.85 0.07 0.00 -0.60 0.00 0.00 56.93 55.65 3ig4 s PHE 74 Cb -0.10 -2.11 -0.07 0.00 0.51 0.00 0.00 43.02 41.24 3ig4 s PHE 74 CO 0.00 -0.51 0.02 0.96 0.70 0.00 0.00 175.22 176.39 3ig4 s ILE 75 N 1.45 1.96 0.30 0.64 -4.36 0.23 -1.36 121.20 120.06 3ig4 s ILE 75 Ca 0.05 -1.99 -0.28 0.00 -0.26 0.00 0.00 60.65 58.17 3ig4 s ILE 75 Cb -0.14 -2.94 -0.09 0.00 1.25 0.00 0.00 42.46 40.53 3ig4 s ILE 75 CO -0.02 0.00 1.06 -1.61 0.24 0.00 0.00 174.94 174.61 3ig4 s GLU 76 N -3.73 4.55 0.65 0.37 0.41 -1.26 -1.33 118.70 118.37 3ig4 s GLU 76 Ca 0.33 1.69 -0.14 0.00 -0.41 0.00 0.00 54.97 56.44 3ig4 s GLU 76 Cb 0.09 -3.04 -0.01 0.00 -1.78 0.00 0.00 34.13 29.40 3ig4 s GLU 76 CO 0.17 0.17 1.08 0.15 -0.49 0.00 0.00 175.26 176.34 3ig4 s LYS 77 N -1.67 2.96 0.45 1.61 1.02 -1.26 -4.95 119.74 117.89 3ig4 s LYS 77 Ca 0.47 1.21 -0.23 0.00 0.02 0.00 0.00 55.97 57.44 3ig4 s LYS 77 Cb -0.29 -1.98 -0.08 0.00 -0.52 0.00 0.00 37.83 34.96 3ig4 s LYS 77 CO 0.36 -1.10 1.09 -1.54 -0.92 0.00 0.00 175.35 173.25 3ig4 s SER 78 N -3.00 6.41 -0.32 2.83 1.04 -1.26 -5.02 113.70 114.38 3ig4 s SER 78 Ca 0.63 2.12 -0.01 0.00 0.48 0.00 0.00 55.95 59.17 3ig4 s SER 78 Cb -0.17 -2.59 0.11 0.00 0.10 0.00 0.00 66.02 63.47 3ig4 s SER 78 CO 0.44 -0.74 0.12 -0.62 0.98 0.00 0.00 173.24 173.42 3ig4 s ASP 79 N -1.58 3.88 0.60 7.02 -1.08 -1.26 -5.02 116.67 119.23 3ig4 s ASP 79 Ca 0.62 -1.73 0.28 0.00 -0.52 0.00 0.00 52.55 51.21 3ig4 s ASP 79 Cb -0.23 -0.80 1.44 0.00 -1.46 0.00 0.00 42.92 41.86 3ig4 s ASP 79 CO 0.29 -0.40 1.84 -0.65 0.52 0.00 0.00 175.17 176.77 3ig4 h PRO 80 N 7.92 0.00 -0.95 4.34 0.11 -2.01 -2.07 132.00 139.35 3ig4 h PRO 80 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 3ig4 h PRO 80 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3ig4 h PRO 80 CO 0.46 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.53 3ig4 n VAL 81 N -3.59 0.22 0.00 3.15 0.31 -1.26 -4.03 118.33 113.13 3ig4 n VAL 81 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3ig4 n VAL 81 Cb 0.72 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 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 0.17 0.00 0.01 5.55 1.02 -0.78 -3.89 120.64 122.71 3ig4 n GLU 83 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 3ig4 n GLU 83 Cb 0.28 -0.14 0.27 0.00 -0.02 0.00 0.00 31.44 31.83 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 -0.05 0.03 -0.08 3.49 5.02 -1.26 -2.91 118.16 122.41 3ig4 n LYS 84 Ca 0.00 0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.18 3ig4 n LYS 84 Cb 0.00 -1.52 -0.07 0.00 -0.02 0.00 0.00 35.03 33.42 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 -1.56 0.00 0.00 2.13 7.02 -1.25 -4.84 117.44 118.93 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 0.35 -0.60 0.00 0.00 -2.42 0.00 0.00 31.31 28.63 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 -3.11 0.00 -0.02 -0.99 0.31 -1.26 -5.14 118.33 108.11 3ig4 n VAL 86 Ca -0.29 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 3ig4 n VAL 86 Cb 0.78 0.84 0.00 0.00 -0.91 0.00 0.00 33.84 34.55 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 1.14 -3.98 3.76 2.92 0.00 -1.15 -4.96 105.19 102.92 3ig4 n GLY 87 Ca 0.00 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.97 4.56 0.55 1.61 1.02 -1.26 -4.29 119.74 120.96 3ig4 s LYS 88 Ca 0.00 1.91 -0.06 0.00 0.02 0.00 0.00 55.97 57.84 3ig4 s LYS 88 Cb 0.00 -3.17 -0.01 0.00 -0.52 0.00 0.00 37.83 34.13 3ig4 s LYS 88 CO 0.00 0.08 0.86 0.95 -0.92 0.00 0.00 175.35 176.32 3ig4 s THR 89 N -0.99 4.18 0.29 2.17 -4.23 -1.26 -5.01 115.64 110.79 3ig4 s THR 89 Ca 0.47 0.10 -0.28 0.00 -1.18 0.00 0.00 61.69 60.80 3ig4 s THR 89 Cb -0.34 -3.63 -0.14 0.00 1.34 0.00 0.00 72.50 69.74 3ig4 s THR 89 CO 0.43 -0.64 1.02 0.55 -0.54 0.00 0.00 174.62 175.44 3ig4 n VAL 90 N -2.46 1.97 -3.34 2.29 3.14 -1.26 -4.96 118.33 113.71 3ig4 n VAL 90 Ca 0.03 -0.49 -0.23 0.00 -2.96 0.00 0.00 64.34 60.69 3ig4 n VAL 90 Cb 0.56 -1.01 -0.01 0.00 -1.06 0.00 0.00 33.84 32.33 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 -0.54 6.15 0.25 6.55 1.04 -1.26 -4.80 113.70 121.09 3ig4 s SER 91 Ca 0.59 0.31 -0.13 0.00 0.48 0.00 0.00 55.95 57.20 3ig4 s SER 91 Cb -0.70 -1.81 0.33 0.00 0.10 0.00 0.00 66.02 63.94 3ig4 s SER 91 CO 0.60 -0.39 1.56 0.78 0.98 0.00 0.00 173.24 176.77 3ig4 h ASN 92 N 0.71 -1.15 0.01 7.02 2.35 -1.92 -1.09 115.58 121.51 3ig4 h ASN 92 Ca -0.49 0.30 -0.18 0.00 -0.55 0.00 0.00 56.30 55.38 3ig4 h ASN 92 Cb 1.23 0.67 0.01 0.00 0.05 0.00 0.00 38.32 40.28 3ig4 h ASN 92 CO 0.59 -0.30 -0.70 -0.33 -1.65 0.00 0.00 177.43 175.04 3ig4 h GLU 93 N -0.01 0.45 -0.70 0.81 5.08 -1.97 -3.13 114.58 115.10 3ig4 h GLU 93 Ca 0.40 -0.50 0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3ig4 h GLU 93 Cb 0.65 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.98 3ig4 h GLU 93 CO -0.97 1.15 0.38 0.93 -1.00 0.00 0.00 179.01 179.50 3ig4 h GLU 94 N -0.04 0.66 -0.74 2.33 5.08 -1.85 -1.32 114.58 118.70 3ig4 h GLU 94 Ca -0.09 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3ig4 h GLU 94 Cb 1.41 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 3ig4 h GLU 94 CO 0.14 0.44 0.47 0.00 -1.00 0.00 0.00 179.01 179.06 3ig4 h ALA 95 N 1.39 0.96 -0.29 3.43 0.00 -1.27 -0.20 119.26 123.28 3ig4 h ALA 95 Ca 0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3ig4 h ALA 95 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3ig4 h ALA 95 CO -0.22 0.28 0.12 1.49 0.00 0.00 0.00 179.25 180.92 3ig4 h GLU 96 N 0.93 0.44 -0.70 0.00 4.81 -1.38 -1.91 114.58 116.77 3ig4 h GLU 96 Ca 0.29 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 3ig4 h GLU 96 Cb -0.02 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3ig4 h GLU 96 CO -0.10 0.46 0.32 -0.22 -0.73 0.00 0.00 179.01 178.74 3ig4 h LYS 97 N 0.32 1.01 -0.02 1.92 3.11 -0.67 0.10 116.57 122.34 3ig4 h LYS 97 Ca 0.10 -0.16 -0.02 0.00 -2.81 0.00 0.00 60.65 57.76 3ig4 h LYS 97 Cb 0.18 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.24 3ig4 h LYS 97 CO -0.01 0.81 -0.05 0.82 -2.81 0.00 0.00 179.45 178.21 3ig4 h ILE 98 N 0.98 1.44 0.00 2.00 2.04 -1.00 -3.35 117.51 119.63 3ig4 h ILE 98 Ca 0.24 -1.39 -0.23 0.00 1.00 0.00 0.00 64.86 64.48 3ig4 h ILE 98 Cb 0.14 2.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 3ig4 h ILE 98 CO -0.03 0.37 -1.16 0.77 0.00 0.00 0.00 178.15 178.10 3ig4 h SER 99 N -0.47 0.01 0.00 1.72 4.64 -1.36 -3.32 113.55 114.77 3ig4 h SER 99 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3ig4 h SER 99 Cb 0.63 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3ig4 h SER 99 CO 0.01 1.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.59 3ig4 n GLY 100 N 1.40 0.73 3.64 -0.77 0.00 0.02 -4.37 105.19 105.84 3ig4 n GLY 100 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.85 4.97 -0.03 -0.61 1.01 -1.24 -4.98 121.20 117.47 3ig4 s ILE 101 Ca 0.00 1.21 -0.26 0.00 0.00 0.00 0.00 60.65 61.60 3ig4 s ILE 101 Cb 0.00 -3.96 -0.21 0.00 0.01 0.00 0.00 42.46 38.30 3ig4 s ILE 101 CO 0.00 0.03 1.22 0.50 0.00 0.00 0.00 174.94 176.69 3ig4 h LYS 102 N 7.76 -0.01 -6.23 2.79 3.64 -1.88 -3.40 116.57 119.23 3ig4 h LYS 102 Ca -0.27 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.53 3ig4 h LYS 102 Cb 1.12 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.87 3ig4 h LYS 102 CO 0.79 0.50 0.72 0.21 -2.27 0.00 0.00 179.45 179.40 3ig4 s LYS 103 N -4.10 3.91 -0.20 1.90 2.20 -1.26 -4.96 119.74 117.23 3ig4 s LYS 103 Ca -0.16 0.74 -0.00 0.00 -0.36 0.00 0.00 55.97 56.19 3ig4 s LYS 103 Cb 0.01 -3.79 0.05 0.00 -1.51 0.00 0.00 37.83 32.59 3ig4 s LYS 103 CO 0.67 -0.98 -0.04 0.08 -0.36 0.00 0.00 175.35 174.72 3ig4 s VAL 104 N 3.64 1.16 0.18 4.02 1.01 -1.26 -1.81 120.40 127.34 3ig4 s VAL 104 Ca 0.42 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.57 3ig4 s VAL 104 Cb -0.11 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.84 3ig4 s VAL 104 CO 0.19 -0.01 0.00 2.30 0.00 0.00 0.00 175.10 177.58 3ig4 n ILE 105 N 4.83 0.00 -4.14 2.22 -5.35 0.50 -4.98 119.36 112.44 3ig4 n ILE 105 Ca -0.11 -0.84 -0.28 0.00 -0.27 0.00 0.00 62.75 61.24 3ig4 n ILE 105 Cb 0.46 0.15 -0.07 0.00 -1.74 0.00 0.00 39.64 38.44 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 -1.62 2.99 0.56 4.28 2.02 -1.26 -0.60 117.35 123.72 3ig4 s TYR 106 Ca 0.00 -0.06 0.31 0.00 -0.37 0.00 0.00 57.07 56.96 3ig4 s TYR 106 Cb -0.00 -1.48 1.82 0.00 -0.40 0.00 0.00 41.96 41.90 3ig4 s TYR 106 CO 0.00 0.50 2.23 -0.07 -1.57 0.00 0.00 175.55 176.65 3ig4 h LEU 107 N 2.92 0.00 0.00 -1.29 3.38 -1.48 -1.63 115.31 117.21 3ig4 h LEU 107 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3ig4 h LEU 107 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3ig4 h LEU 107 CO 0.60 0.02 0.00 -0.90 0.09 0.00 0.00 178.44 178.26 3ig4 n ASP 108 N -3.71 0.00 -0.14 -0.43 5.68 -1.26 -1.31 116.55 115.38 3ig4 n ASP 108 Ca -0.03 -0.36 0.01 0.00 -0.50 0.00 0.00 54.79 53.91 3ig4 n ASP 108 Cb 0.11 -0.12 0.03 0.00 -1.14 0.00 0.00 41.12 40.01 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 -1.12 2.14 -0.09 -1.12 3.41 -0.61 -4.68 113.62 111.55 3ig4 n SER 109 Ca 0.13 -1.94 -0.11 0.00 -0.26 0.00 0.00 58.87 56.69 3ig4 n SER 109 Cb 0.10 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 63.97 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 0.45 0.50 -0.26 7.33 3.57 -1.29 -2.68 116.94 124.56 3ig4 h PHE 110 Ca 0.00 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.42 3ig4 h PHE 110 Cb 0.52 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3ig4 h PHE 110 CO 0.05 0.59 0.17 0.93 -2.23 0.00 0.00 178.31 177.81 3ig4 h GLU 111 N 0.27 0.35 -0.83 1.11 5.08 -1.83 -2.55 114.58 116.18 3ig4 h GLU 111 Ca 0.08 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3ig4 h GLU 111 Cb 0.37 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 3ig4 h GLU 111 CO 0.01 0.26 0.50 -0.22 -1.00 0.00 0.00 179.01 178.56 3ig4 h LYS 112 N 0.34 1.12 -1.77 2.33 3.64 -1.88 -1.89 116.57 118.46 3ig4 h LYS 112 Ca 0.10 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ig4 h LYS 112 Cb -0.01 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.58 3ig4 h LYS 112 CO -0.02 0.78 0.00 2.41 -2.27 0.00 0.00 179.45 180.35 3ig4 n THR 113 N -4.37 0.03 0.00 1.00 -1.04 -0.96 -1.68 114.28 107.26 3ig4 n THR 113 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3ig4 n THR 113 Cb 0.06 -0.46 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 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 0.93 0.00 -0.06 8.00 7.64 -0.71 -0.27 113.62 129.15 3ig4 n SER 115 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 3ig4 n SER 115 Cb 0.01 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.18 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 0.29 -0.47 6.43 -0.26 -1.61 -0.38 115.58 119.58 3ig4 h ASN 116 Ca 0.00 -0.13 0.08 0.00 -0.56 0.00 0.00 56.30 55.69 3ig4 h ASN 116 Cb 0.00 -0.07 -0.06 0.00 -1.06 0.00 0.00 38.32 37.12 3ig4 h ASN 116 CO 0.00 0.34 0.10 0.40 -1.06 0.00 0.00 177.43 177.21 3ig4 h ILE 117 N 0.22 0.74 0.00 2.81 5.03 -0.91 -1.55 117.51 123.86 3ig4 h ILE 117 Ca 0.07 -0.08 0.00 0.00 -0.12 0.00 0.00 64.86 64.73 3ig4 h ILE 117 Cb 0.13 0.49 0.00 0.00 -3.03 0.00 0.00 36.82 34.41 3ig4 h ILE 117 CO -0.01 0.04 -0.95 0.49 -0.68 0.00 0.00 178.15 177.04 3ig4 n PHE 118 N -5.10 0.21 0.00 1.37 3.72 -1.16 -3.06 117.46 113.44 3ig4 n PHE 118 Ca 0.05 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 3ig4 n PHE 118 Cb 0.23 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 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 -1.87 0.00 -0.28 1.38 7.35 -0.16 -4.46 117.46 119.42 3ig4 n PHE 119 Ca 0.03 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.76 3ig4 n PHE 119 Cb 0.41 0.00 0.19 0.00 0.35 0.00 0.00 39.48 40.43 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 0.81 -0.27 -2.13 2.02 -1.48 -1.81 112.91 110.04 3ig4 h THR 120 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3ig4 h THR 120 Cb 0.00 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 3ig4 h THR 120 CO 0.00 0.12 0.00 -0.62 0.37 0.00 0.00 175.52 175.39 3ig4 n GLU 121 N -4.83 2.12 -4.13 6.66 1.02 -0.65 -4.96 120.64 115.88 3ig4 n GLU 121 Ca 0.15 -1.69 -0.32 0.00 -0.02 0.00 0.00 57.16 55.27 3ig4 n GLU 121 Cb 0.35 -1.45 -0.02 0.00 -0.02 0.00 0.00 31.44 30.30 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 0.92 -2.27 -4.74 1.62 5.03 -0.68 -4.89 115.26 110.24 3ig4 n ASN 122 Ca 0.17 -1.01 -0.41 0.00 0.87 0.00 0.00 54.58 54.21 3ig4 n ASN 122 Cb 0.47 -2.87 -0.03 0.00 -1.02 0.00 0.00 39.78 36.33 3ig4 n ASN 122 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3ig4 s VAL 123 N -3.55 3.32 -0.06 2.41 1.01 -1.17 -4.93 120.40 117.44 3ig4 s VAL 123 Ca 0.47 1.16 0.01 0.00 0.00 0.00 0.00 61.98 63.62 3ig4 s VAL 123 Cb -0.26 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 3ig4 s VAL 123 CO 0.91 0.20 0.05 0.29 0.00 0.00 0.00 175.10 176.56 3ig4 n LYS 124 N 2.16 6.15 -3.82 2.72 5.02 -1.26 -4.86 118.16 124.25 3ig4 n LYS 124 Ca 0.04 -0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.06 3ig4 n LYS 124 Cb 0.44 -0.59 -0.17 0.00 -0.02 0.00 0.00 35.03 34.69 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 -1.18 1.32 -0.08 2.13 2.46 -1.26 0.04 115.29 118.72 3ig4 s HIS 125 Ca 0.00 -0.86 0.04 0.00 0.47 0.00 0.00 55.06 54.72 3ig4 s HIS 125 Cb 0.01 -1.14 -0.01 0.00 -0.13 0.00 0.00 32.58 31.31 3ig4 s HIS 125 CO 0.05 -0.56 -0.21 -1.17 -2.47 0.00 0.00 174.74 170.38 3ig4 s LEU 126 N 1.76 2.29 -0.11 8.88 2.96 0.51 -1.09 118.68 133.88 3ig4 s LEU 126 Ca 0.01 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 3ig4 s LEU 126 Cb -0.15 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 3ig4 s LEU 126 CO -0.07 0.23 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.77 3ig4 s TYR 127 N -0.07 2.84 0.24 5.38 2.02 0.84 0.09 117.35 128.69 3ig4 s TYR 127 Ca -0.05 -0.40 0.09 0.00 -0.37 0.00 0.00 57.07 56.33 3ig4 s TYR 127 Cb -0.14 -1.80 -0.05 0.00 -0.40 0.00 0.00 41.96 39.57 3ig4 s TYR 127 CO 0.04 -0.03 -0.14 -0.51 -1.57 0.00 0.00 175.55 173.34 3ig4 s LEU 128 N -0.02 2.56 -0.81 -1.29 1.43 -0.31 -1.67 118.68 118.57 3ig4 s LEU 128 Ca -0.02 -1.06 -0.21 0.00 -1.03 0.00 0.00 54.13 51.80 3ig4 s LEU 128 Cb -0.14 -0.79 0.09 0.00 0.03 0.00 0.00 46.19 45.38 3ig4 s LEU 128 CO 0.04 -0.15 1.09 -0.62 0.23 0.00 0.00 176.35 176.94 3ig4 s ASP 129 N -3.40 6.38 -1.01 2.29 -1.08 -1.26 -0.29 116.67 118.30 3ig4 s ASP 129 Ca 0.26 -1.43 -0.01 0.00 -0.52 0.00 0.00 52.55 50.85 3ig4 s ASP 129 Cb -0.01 -2.43 0.32 0.00 -1.46 0.00 0.00 42.92 39.33 3ig4 s ASP 129 CO 0.10 -1.32 1.62 0.18 0.52 0.00 0.00 175.17 176.27 3ig4 n LEU 130 N 7.45 6.74 -4.60 -1.34 4.77 -1.26 -4.91 117.00 123.86 3ig4 n LEU 130 Ca 0.11 -5.35 -0.43 0.00 -0.03 0.00 0.00 56.01 50.31 3ig4 n LEU 130 Cb 0.48 -1.15 -0.02 0.00 -2.33 0.00 0.00 43.42 40.39 3ig4 n LEU 130 CO 0.59 1.95 1.30 -0.70 -1.33 0.00 0.00 177.39 179.20 3ig4 s GLU 131 N -3.69 3.48 -0.27 3.23 2.12 -1.26 -4.95 118.70 117.37 3ig4 s GLU 131 Ca 0.37 0.98 -0.00 0.00 0.36 0.00 0.00 54.97 56.67 3ig4 s GLU 131 Cb 0.14 -4.07 0.08 0.00 0.26 0.00 0.00 34.13 30.54 3ig4 s GLU 131 CO -0.04 -1.68 0.05 0.00 -0.54 0.00 0.00 175.26 173.04 3ig4 n ARG 133 N 4.79 0.23 -4.69 0.00 1.74 -1.26 -4.82 116.66 112.64 3ig4 n ARG 133 Ca -0.05 0.02 -0.25 0.00 -0.77 0.00 0.00 57.85 56.80 3ig4 n ARG 133 Cb 0.43 -1.60 -0.16 0.00 -1.02 0.00 0.00 32.46 30.11 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 -3.15 1.76 0.21 5.56 0.41 -1.26 -5.02 118.70 117.21 3ig4 s GLU 134 Ca 0.06 -0.49 -0.10 0.00 -0.41 0.00 0.00 54.97 54.03 3ig4 s GLU 134 Cb 0.15 -1.47 0.17 0.00 -1.78 0.00 0.00 34.13 31.20 3ig4 s GLU 134 CO 0.77 0.11 1.87 2.35 -0.49 0.00 0.00 175.26 179.87 3ig4 h TRP 135 N 6.69 1.00 -0.66 1.61 2.91 -2.05 -2.80 115.95 122.66 3ig4 h TRP 135 Ca -0.31 0.01 -0.12 0.00 1.13 0.00 0.00 58.89 59.61 3ig4 h TRP 135 Cb 1.19 -0.34 -0.07 0.00 -0.51 0.00 0.00 29.16 29.43 3ig4 h TRP 135 CO 0.47 0.65 0.15 1.63 -1.03 0.00 0.00 178.44 180.30 3ig4 n LYS 136 N -4.52 4.26 -0.73 2.65 5.02 -1.26 -5.00 118.16 118.58 3ig4 n LYS 136 Ca 0.08 -3.13 -0.33 0.00 -2.02 0.00 0.00 58.31 52.91 3ig4 n LYS 136 Cb 0.03 -2.24 0.15 0.00 -0.02 0.00 0.00 35.03 32.95 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 0.19 -2.34 3.92 0.72 0.00 -1.06 -5.00 105.19 101.62 3ig4 n GLY 137 Ca 0.35 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.30 5.23 0.29 2.61 -1.32 -1.26 -5.04 115.64 113.85 3ig4 s THR 138 Ca 0.56 -0.27 -0.30 0.00 -1.21 0.00 0.00 61.69 60.47 3ig4 s THR 138 Cb -0.16 -3.69 -0.13 0.00 -1.51 0.00 0.00 72.50 67.02 3ig4 s THR 138 CO 0.67 -0.06 1.36 1.21 -2.21 0.00 0.00 174.62 175.59 3ig4 n GLU 139 N -0.31 2.12 -4.43 7.08 2.13 -1.26 -5.01 120.64 120.97 3ig4 n GLU 139 Ca -0.04 0.75 -0.25 0.00 0.66 0.00 0.00 57.16 58.28 3ig4 n GLU 139 Cb 0.53 -2.38 -0.09 0.00 0.27 0.00 0.00 31.44 29.77 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 -0.56 2.56 0.35 6.31 -4.23 -1.26 -4.97 115.64 113.84 3ig4 s THR 140 Ca 0.62 -2.15 0.10 0.00 -1.18 0.00 0.00 61.69 59.07 3ig4 s THR 140 Cb -0.60 -2.63 0.33 0.00 1.34 0.00 0.00 72.50 70.95 3ig4 s THR 140 CO 0.56 -0.27 1.84 0.11 -0.54 0.00 0.00 174.62 176.31 3ig4 h LYS 141 N 2.00 0.64 -0.18 3.99 1.57 -1.98 0.18 116.57 122.80 3ig4 h LYS 141 Ca -0.42 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.24 3ig4 h LYS 141 Cb 1.25 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 3ig4 h LYS 141 CO 0.65 0.42 -0.21 1.15 -0.57 0.00 0.00 179.45 180.90 3ig4 h THR 142 N 0.66 1.34 -0.33 -0.16 2.02 -1.95 -0.14 112.91 114.34 3ig4 h THR 142 Ca 0.50 -1.39 -0.05 0.00 0.77 0.00 0.00 66.41 66.24 3ig4 h THR 142 Cb 0.88 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 69.11 3ig4 h THR 142 CO -0.25 0.42 0.01 -0.07 0.37 0.00 0.00 175.52 176.00 3ig4 h LEU 143 N 0.11 0.48 -0.82 2.58 3.38 -1.72 -0.48 115.31 118.82 3ig4 h LEU 143 Ca 0.02 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3ig4 h LEU 143 Cb 0.76 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3ig4 h LEU 143 CO 0.05 0.54 -0.28 0.00 0.09 0.00 0.00 178.44 178.84 3ig4 h ALA 144 N 1.52 0.99 -0.13 1.53 0.00 -0.54 -0.96 119.26 121.67 3ig4 h ALA 144 Ca 0.11 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3ig4 h ALA 144 Cb 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ig4 h ALA 144 CO 0.01 0.60 0.03 0.35 0.00 0.00 0.00 179.25 180.23 3ig4 h PHE 145 N 0.49 0.22 -0.91 0.00 3.04 -0.40 -1.39 116.94 118.00 3ig4 h PHE 145 Ca 0.07 -0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.99 3ig4 h PHE 145 Cb 0.74 -0.06 -0.04 0.00 2.56 0.00 0.00 35.95 39.14 3ig4 h PHE 145 CO 0.03 0.39 0.59 0.00 -2.02 0.00 0.00 178.31 177.29 3ig4 h ALA 146 N 0.81 1.33 -0.82 2.41 0.00 -0.89 0.60 119.26 122.71 3ig4 h ALA 146 Ca 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3ig4 h ALA 146 Cb 0.28 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3ig4 h ALA 146 CO 0.00 0.61 0.44 -0.22 0.00 0.00 0.00 179.25 180.08 3ig4 h LYS 147 N 1.23 1.15 -0.25 0.00 3.64 -0.96 -0.43 116.57 120.96 3ig4 h LYS 147 Ca 0.33 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 3ig4 h LYS 147 Cb -0.12 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.47 3ig4 h LYS 147 CO -0.07 0.85 -0.05 1.25 -2.27 0.00 0.00 179.45 179.17 3ig4 h HIS 148 N 1.14 0.52 -0.86 1.91 2.76 -0.07 -1.17 115.15 119.38 3ig4 h HIS 148 Ca 0.29 -0.11 0.09 0.00 -2.20 0.00 0.00 60.37 58.44 3ig4 h HIS 148 Cb 0.05 -0.13 -0.07 0.00 1.55 0.00 0.00 27.41 28.81 3ig4 h HIS 148 CO 0.01 0.68 0.52 0.28 -1.30 0.00 0.00 177.93 178.11 3ig4 h VAL 149 N 0.21 0.95 -0.78 5.26 2.07 -0.54 -0.80 116.25 122.63 3ig4 h VAL 149 Ca 0.06 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 3ig4 h VAL 149 Cb 0.50 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 3ig4 h VAL 149 CO 0.02 0.16 0.29 -0.09 0.02 0.00 0.00 177.57 177.97 3ig4 h ARG 150 N 0.88 1.18 -0.17 1.57 2.43 -0.74 0.19 114.38 119.71 3ig4 h ARG 150 Ca 0.41 -0.23 -0.19 0.00 -0.81 0.00 0.00 59.98 59.16 3ig4 h ARG 150 Cb 0.32 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3ig4 h ARG 150 CO -0.23 0.97 -0.65 1.49 -1.51 0.00 0.00 179.97 180.04 3ig4 h GLU 151 N 1.14 0.65 0.00 0.20 4.57 -0.46 -3.05 114.58 117.64 3ig4 h GLU 151 Ca 0.26 -0.47 -0.30 0.00 -1.18 0.00 0.00 59.36 57.67 3ig4 h GLU 151 Cb 0.25 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.87 3ig4 h GLU 151 CO -0.02 1.09 -1.77 1.04 -1.18 0.00 0.00 179.01 178.18 3ig4 n GLN 152 N -3.93 0.64 -3.24 1.92 1.13 -0.38 -4.53 117.38 108.99 3ig4 n GLN 152 Ca -0.05 0.28 -0.24 0.00 -1.94 0.00 0.00 57.00 55.05 3ig4 n GLN 152 Cb 0.67 -1.77 -0.07 0.00 0.11 0.00 0.00 30.24 29.18 3ig4 n GLN 152 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3ig4 n TYR 153 N -3.04 1.15 0.24 1.08 4.01 0.66 -4.96 117.16 116.31 3ig4 n TYR 153 Ca -0.18 -3.79 0.15 0.00 -0.16 0.00 0.00 57.90 53.91 3ig4 n TYR 153 Cb 1.06 -0.43 0.79 0.00 -0.31 0.00 0.00 39.34 40.45 3ig4 n TYR 153 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3ig4 h PRO 154 N 3.84 0.00 0.00 -0.72 0.13 -1.68 -0.21 132.00 133.36 3ig4 h PRO 154 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3ig4 h PRO 154 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3ig4 h PRO 154 CO 0.60 0.00 -0.55 -2.39 -0.23 0.00 0.00 178.00 175.42 3ig4 n HIS 155 N -2.57 0.36 -2.31 1.56 1.44 -1.26 -4.87 115.22 107.56 3ig4 n HIS 155 Ca -0.02 0.10 -0.42 0.00 -2.01 0.00 0.00 57.72 55.38 3ig4 n HIS 155 Cb 0.13 -0.53 -0.03 0.00 0.12 0.00 0.00 29.99 29.68 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 -3.11 3.69 0.01 0.61 1.01 -0.09 -4.98 120.40 117.54 3ig4 s VAL 156 Ca 0.08 1.23 -0.25 0.00 0.00 0.00 0.00 61.98 63.04 3ig4 s VAL 156 Cb 0.15 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 3ig4 s VAL 156 CO 0.70 0.11 0.78 -0.89 0.00 0.00 0.00 175.10 175.80 3ig4 s THR 157 N 0.97 4.84 -0.21 3.92 2.01 0.11 -4.95 115.64 122.33 3ig4 s THR 157 Ca 0.60 1.64 -0.05 0.00 0.31 0.00 0.00 61.69 64.19 3ig4 s THR 157 Cb -0.33 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.04 3ig4 s THR 157 CO 0.30 0.30 0.00 -0.63 -0.69 0.00 0.00 174.62 173.91 3ig4 s ILE 158 N 0.33 3.92 0.25 1.82 1.01 -1.26 -0.37 121.20 126.91 3ig4 s ILE 158 Ca 0.40 -0.32 0.08 0.00 0.00 0.00 0.00 60.65 60.81 3ig4 s ILE 158 Cb -0.20 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 3ig4 s ILE 158 CO 0.22 0.42 0.07 -0.83 0.00 0.00 0.00 174.94 174.82 3ig4 s GLY 159 N 1.13 1.58 -0.30 6.18 0.00 0.11 -4.98 107.32 111.04 3ig4 s GLY 159 Ca 0.03 -1.52 -0.10 0.00 0.00 0.00 0.00 44.72 43.13 3ig4 s GLY 159 CO 0.01 -1.57 0.15 0.21 0.00 0.00 0.00 173.10 171.91 3ig4 s ASN 160 N -3.63 5.61 0.00 1.64 3.84 -1.26 -1.17 114.94 119.98 3ig4 s ASN 160 Ca 0.31 -0.35 0.24 0.00 0.21 0.00 0.00 52.86 53.27 3ig4 s ASN 160 Cb -0.07 -2.02 0.37 0.00 -0.55 0.00 0.00 41.25 38.97 3ig4 s ASN 160 CO 0.22 -0.14 1.32 0.55 -2.79 0.00 0.00 177.10 176.25 3ig4 n VAL 161 N 5.00 0.00 -0.11 -5.21 3.14 0.60 -4.32 118.33 117.43 3ig4 n VAL 161 Ca -0.14 -0.14 -0.07 0.00 -2.96 0.00 0.00 64.34 61.03 3ig4 n VAL 161 Cb 0.50 0.72 -0.01 0.00 -1.06 0.00 0.00 33.84 34.00 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 1.31 -0.74 -0.75 1.45 3.20 -1.91 -0.59 116.97 118.94 3ig4 h TYR 162 Ca 0.00 0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.98 3ig4 h TYR 162 Cb 0.59 0.38 -0.05 0.00 1.54 0.00 0.00 36.73 39.19 3ig4 h TYR 162 CO 0.00 -0.35 0.49 -1.35 -1.64 0.00 0.00 178.16 175.32 3ig4 h PRO 163 N -0.22 0.78 -0.05 1.82 0.11 -1.96 -1.32 132.00 131.16 3ig4 h PRO 163 Ca 0.18 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 3ig4 h PRO 163 Cb 0.50 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 3ig4 h PRO 163 CO -0.50 0.52 0.03 -0.91 -0.21 0.00 0.00 178.00 176.93 3ig4 h ASN 164 N 0.81 0.06 -0.25 -2.05 -0.26 -1.38 -2.00 115.58 110.51 3ig4 h ASN 164 Ca 0.32 -0.06 -0.18 0.00 -0.56 0.00 0.00 56.30 55.82 3ig4 h ASN 164 Cb 0.23 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 3ig4 h ASN 164 CO -0.11 0.11 -0.54 0.40 -1.06 0.00 0.00 177.43 176.23 3ig4 h ILE 165 N 0.01 1.29 -0.65 2.81 2.04 -0.99 -3.03 117.51 118.98 3ig4 h ILE 165 Ca 0.02 -1.74 0.07 0.00 1.00 0.00 0.00 64.86 64.21 3ig4 h ILE 165 Cb 0.06 1.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.81 3ig4 h ILE 165 CO -0.00 0.56 0.33 0.00 0.00 0.00 0.00 178.15 179.04 3ig4 h GLU 167 N 0.60 0.00 0.06 0.00 4.57 -1.25 0.34 114.58 118.90 3ig4 h GLU 167 Ca 0.31 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 58.25 3ig4 h GLU 167 Cb 0.26 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 3ig4 h GLU 167 CO -0.22 0.08 -1.09 -0.07 -1.18 0.00 0.00 179.01 176.52 3ig4 h LEU 168 N 0.00 0.22 -1.17 1.64 4.07 -1.13 -3.25 115.31 115.69 3ig4 h LEU 168 Ca -0.00 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.73 3ig4 h LEU 168 Cb 0.35 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.02 3ig4 h LEU 168 CO 0.01 1.16 0.00 0.03 -1.08 0.00 0.00 178.44 178.56 3ig4 h ARG 169 N 0.05 0.00 -0.03 1.13 3.08 0.25 -3.03 114.38 115.82 3ig4 h ARG 169 Ca -0.07 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 3ig4 h ARG 169 Cb 1.83 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.87 3ig4 h ARG 169 CO 0.16 0.00 -0.31 0.28 -1.07 0.00 0.00 179.97 179.03 3ig4 h VAL 170 N 0.00 1.24 -3.34 2.04 2.07 -1.45 -3.38 116.25 113.42 3ig4 h VAL 170 Ca 0.00 -1.14 -0.73 0.00 0.82 0.00 0.00 66.70 65.66 3ig4 h VAL 170 Cb 0.51 1.57 -0.27 0.00 -1.52 0.00 0.00 31.29 31.58 3ig4 h VAL 170 CO 0.00 0.33 -0.39 -0.36 0.02 0.00 0.00 177.57 177.17 3ig4 s PHE 171 N -4.33 3.33 0.41 1.57 0.08 -1.15 -4.41 117.98 113.48 3ig4 s PHE 171 Ca -0.04 -1.44 -0.22 0.00 0.12 0.00 0.00 56.93 55.35 3ig4 s PHE 171 Cb 0.15 -3.22 -0.10 0.00 -0.57 0.00 0.00 43.02 39.28 3ig4 s PHE 171 CO 0.73 -0.89 0.97 0.15 -0.10 0.00 0.00 175.22 176.08 3ig4 s LYS 172 N 1.48 4.26 0.67 0.44 -0.14 -0.33 -5.02 119.74 121.10 3ig4 s LYS 172 Ca 0.04 1.24 -0.00 0.00 -1.36 0.00 0.00 55.97 55.89 3ig4 s LYS 172 Cb -0.25 -2.36 0.09 0.00 -1.68 0.00 0.00 37.83 33.63 3ig4 s LYS 172 CO 0.03 -0.01 0.93 0.95 -0.76 0.00 0.00 175.35 176.48 3ig4 s THR 173 N -1.96 2.30 0.19 2.17 -4.23 -1.26 -4.75 115.64 108.09 3ig4 s THR 173 Ca 0.59 -0.60 -0.11 0.00 -1.18 0.00 0.00 61.69 60.39 3ig4 s THR 173 Cb -0.14 -2.71 0.10 0.00 1.34 0.00 0.00 72.50 71.10 3ig4 s THR 173 CO 0.18 0.00 1.78 0.44 -0.54 0.00 0.00 174.62 176.48 3ig4 h ASP 174 N -0.35 0.85 -0.91 3.99 3.32 -1.99 -1.40 116.42 119.93 3ig4 h ASP 174 Ca -0.38 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3ig4 h ASP 174 Cb 1.28 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.57 3ig4 h ASP 174 CO 0.45 0.73 0.58 -0.33 -1.72 0.00 0.00 179.24 178.96 3ig4 h GLU 175 N 0.90 1.21 0.03 3.56 5.08 -2.00 -0.46 114.58 122.90 3ig4 h GLU 175 Ca 0.23 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3ig4 h GLU 175 Cb 0.10 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.09 3ig4 h GLU 175 CO -0.03 0.81 -0.01 0.93 -1.00 0.00 0.00 179.01 179.71 3ig4 h GLU 176 N 1.24 -0.03 -0.64 2.33 5.08 -1.84 -2.69 114.58 118.02 3ig4 h GLU 176 Ca 0.33 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.78 3ig4 h GLU 176 Cb -0.11 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.07 3ig4 h GLU 176 CO -0.07 0.16 0.27 0.82 -1.00 0.00 0.00 179.01 179.19 3ig4 h ILE 177 N -0.22 0.80 -0.56 3.13 2.04 -0.66 -1.29 117.51 120.75 3ig4 h ILE 177 Ca -0.00 -0.16 0.11 0.00 1.00 0.00 0.00 64.86 65.81 3ig4 h ILE 177 Cb 0.21 0.29 -0.09 0.00 -0.74 0.00 0.00 36.82 36.48 3ig4 h ILE 177 CO 0.01 0.09 0.00 -0.33 0.00 0.00 0.00 178.15 177.92 3ig4 h GLU 178 N 0.47 0.12 -0.42 2.37 4.39 -0.91 0.17 114.58 120.78 3ig4 h GLU 178 Ca 0.32 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.99 3ig4 h GLU 178 Cb 0.37 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 3ig4 h GLU 178 CO -0.29 0.08 0.17 0.82 -1.16 0.00 0.00 179.01 178.64 3ig4 h ILE 179 N 0.12 1.19 -0.57 3.13 2.04 -0.94 0.54 117.51 123.02 3ig4 h ILE 179 Ca 0.29 -0.59 0.10 0.00 1.00 0.00 0.00 64.86 65.66 3ig4 h ILE 179 Cb 0.45 0.80 -0.08 0.00 -0.74 0.00 0.00 36.82 37.26 3ig4 h ILE 179 CO -0.47 0.22 0.15 0.40 0.00 0.00 0.00 178.15 178.44 3ig4 h ILE 180 N 0.53 0.70 -0.82 -0.67 2.04 -0.57 0.20 117.51 118.92 3ig4 h ILE 180 Ca 0.14 -0.10 0.09 0.00 1.00 0.00 0.00 64.86 65.99 3ig4 h ILE 180 Cb 0.18 0.38 -0.07 0.00 -0.74 0.00 0.00 36.82 36.56 3ig4 h ILE 180 CO -0.01 0.05 0.47 0.11 0.00 0.00 0.00 178.15 178.77 3ig4 h LYS 181 N 0.29 0.78 -0.63 2.37 1.57 0.76 0.10 116.57 121.82 3ig4 h LYS 181 Ca 0.30 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.98 3ig4 h LYS 181 Cb 0.41 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 3ig4 h LYS 181 CO -0.36 0.52 0.21 0.93 -0.57 0.00 0.00 179.45 180.18 3ig4 h GLU 182 N 0.80 0.96 -0.48 3.15 5.08 0.30 0.71 114.58 125.10 3ig4 h GLU 182 Ca 0.39 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 3ig4 h GLU 182 Cb 0.34 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3ig4 h GLU 182 CO -0.24 0.84 0.22 0.00 -1.00 0.00 0.00 179.01 178.83 3ig4 h ALA 183 N 1.08 0.62 -0.07 3.43 0.00 0.20 -1.83 119.26 122.69 3ig4 h ALA 183 Ca 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ig4 h ALA 183 Cb 0.26 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ig4 h ALA 183 CO -0.01 0.20 0.04 0.82 0.00 0.00 0.00 179.25 180.30 3ig4 h ILE 184 N 0.64 1.06 -0.63 0.00 2.04 -0.62 -1.68 117.51 118.32 3ig4 h ILE 184 Ca 0.16 -0.17 0.10 0.00 1.00 0.00 0.00 64.86 65.95 3ig4 h ILE 184 Cb 0.15 1.05 -0.12 0.00 -0.74 0.00 0.00 36.82 37.17 3ig4 h ILE 184 CO -0.02 0.05 -0.37 0.00 0.00 0.00 0.00 178.15 177.82 3ig4 h ALA 185 N 0.97 -0.10 -0.65 1.87 0.00 -0.47 0.13 119.26 121.01 3ig4 h ALA 185 Ca 0.02 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3ig4 h ALA 185 Cb 0.05 0.85 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3ig4 h ALA 185 CO -0.00 -0.71 0.38 0.28 0.00 0.00 0.00 179.25 179.20 3ig4 h VAL 186 N -0.16 1.19 -0.76 0.00 2.07 -1.20 -1.59 116.25 115.80 3ig4 h VAL 186 Ca 0.23 -0.43 0.12 0.00 0.82 0.00 0.00 66.70 67.43 3ig4 h VAL 186 Cb 0.56 0.31 -0.08 0.00 -1.52 0.00 0.00 31.29 30.55 3ig4 h VAL 186 CO -0.71 0.20 0.37 0.74 0.02 0.00 0.00 177.57 178.18 3ig4 h THR 187 N 0.88 0.77 0.21 2.57 2.02 -0.04 0.87 112.91 120.20 3ig4 h THR 187 Ca 0.23 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.22 3ig4 h THR 187 Cb -0.01 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.52 3ig4 h THR 187 CO -0.04 0.10 -0.28 0.50 0.37 0.00 0.00 175.52 176.18 3ig4 h LYS 188 N 0.57 -0.53 -0.78 6.66 3.64 0.10 0.82 116.57 127.06 3ig4 h LYS 188 Ca 0.40 0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.98 3ig4 h LYS 188 Cb 0.50 0.12 -0.11 0.00 -0.41 0.00 0.00 32.23 32.33 3ig4 h LYS 188 CO -0.33 -0.35 0.26 -0.44 -2.27 0.00 0.00 179.45 176.32 3ig4 h ASP 189 N -0.55 0.15 -0.68 4.20 3.32 -0.49 0.12 116.42 122.49 3ig4 h ASP 189 Ca 0.01 0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 3ig4 h ASP 189 Cb 0.53 0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 3ig4 h ASP 189 CO -0.10 0.01 0.23 1.23 -1.72 0.00 0.00 179.24 178.89 3ig4 h GLY 190 N 0.34 1.12 0.75 2.75 0.00 -0.05 -1.01 103.07 106.97 3ig4 h GLY 190 Ca 0.45 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 3ig4 h GLY 190 CO -0.49 0.61 0.00 -2.22 0.00 0.00 0.00 176.54 174.44 3ig4 h ILE 191 N 0.99 1.23 -0.72 2.60 2.04 0.62 -2.04 117.51 122.22 3ig4 h ILE 191 Ca 0.22 -0.71 0.06 0.00 1.00 0.00 0.00 64.86 65.44 3ig4 h ILE 191 Cb 0.27 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 3ig4 h ILE 191 CO -0.01 0.19 0.48 1.88 0.00 0.00 0.00 178.15 180.69 3ig4 h TYR 192 N -0.17 0.77 -0.66 1.37 -1.99 -0.64 0.01 116.97 115.66 3ig4 h TYR 192 Ca 0.02 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.73 3ig4 h TYR 192 Cb 0.30 -0.26 -0.03 0.00 2.00 0.00 0.00 36.73 38.75 3ig4 h TYR 192 CO 0.02 0.41 0.26 -0.97 -0.00 0.00 0.00 178.16 177.89 3ig4 h ASN 193 N 0.77 0.92 -0.27 3.88 -0.00 -0.96 -1.08 115.58 118.83 3ig4 h ASN 193 Ca 0.31 -0.17 0.01 0.00 -0.00 0.00 0.00 56.30 56.45 3ig4 h ASN 193 Cb 0.23 -0.24 -0.02 0.00 -0.00 0.00 0.00 38.32 38.29 3ig4 h ASN 193 CO -0.10 0.84 0.15 0.58 -0.00 0.00 0.00 177.43 178.89 3ig4 h VAL 194 N 0.94 1.01 -0.17 2.57 2.07 -0.33 -2.61 116.25 119.73 3ig4 h VAL 194 Ca 0.22 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 3ig4 h VAL 194 Cb 0.21 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3ig4 h VAL 194 CO -0.02 0.06 0.04 -0.07 0.02 0.00 0.00 177.57 177.60 3ig4 h LEU 195 N 0.31 0.21 -0.05 2.57 3.38 -0.62 -1.37 115.31 119.73 3ig4 h LEU 195 Ca 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3ig4 h LEU 195 Cb 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3ig4 h LEU 195 CO -0.06 0.22 -0.18 2.29 0.09 0.00 0.00 178.44 180.79 3ig4 n LYS 196 N -4.44 0.16 0.00 1.13 2.85 -0.45 -3.83 118.16 113.58 3ig4 n LYS 196 Ca -0.00 -0.05 0.01 0.00 -1.05 0.00 0.00 58.31 57.21 3ig4 n LYS 196 Cb 0.13 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 33.02 3ig4 n LYS 196 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3ig4 n HIS 197 N -1.37 0.00 -2.86 5.58 8.25 -0.61 -2.91 115.22 121.29 3ig4 n HIS 197 Ca 0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.19 3ig4 n HIS 197 Cb 0.32 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.64 3.19 0.29 -1.41 0.00 -0.63 -5.00 121.76 117.56 3ig4 s ALA 198 Ca 0.02 0.40 -0.20 0.00 0.00 0.00 0.00 51.96 52.18 3ig4 s ALA 198 Cb 0.02 -3.09 0.02 0.00 0.00 0.00 0.00 23.12 20.07 3ig4 s ALA 198 CO 0.05 0.19 0.71 -1.59 0.00 0.00 0.00 175.76 175.12 3ig4 s LYS 199 N -2.47 1.82 0.73 0.00 -2.85 -1.25 -4.84 119.74 110.89 3ig4 s LYS 199 Ca 0.53 -1.07 -0.11 0.00 -1.00 0.00 0.00 55.97 54.32 3ig4 s LYS 199 Cb -0.15 0.60 0.03 0.00 -2.06 0.00 0.00 37.83 36.25 3ig4 s LYS 199 CO 0.19 -0.83 1.08 0.00 0.10 0.00 0.00 175.35 175.89 3ig4 s ALA 200 N -3.73 2.59 -0.62 0.59 0.00 -1.26 -4.85 121.76 114.47 3ig4 s ALA 200 Ca 0.13 -0.14 -0.08 0.00 0.00 0.00 0.00 51.96 51.86 3ig4 s ALA 200 Cb -0.05 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 19.97 3ig4 s ALA 200 CO 0.08 -1.36 0.65 -0.25 0.00 0.00 0.00 175.76 174.88 3ig4 n ASP 201 N -3.19 -7.56 -0.05 0.00 8.00 0.79 -4.95 116.55 109.60 3ig4 n ASP 201 Ca 0.07 0.09 -0.08 0.00 0.71 0.00 0.00 54.79 55.58 3ig4 n ASP 201 Cb 0.55 -4.93 -0.04 0.00 -0.02 0.00 0.00 41.12 36.69 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 -1.20 0.21 0.06 -1.24 1.02 -0.17 -4.96 120.64 114.37 3ig4 n GLU 204 Ca 0.02 0.07 0.01 0.00 -0.02 0.00 0.00 57.16 57.23 3ig4 n GLU 204 Cb 0.51 -1.03 0.33 0.00 -0.02 0.00 0.00 31.44 31.23 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 -0.15 0.39 -0.85 -0.32 -0.00 -1.42 -1.88 116.97 112.73 3ig4 h TYR 205 Ca -0.22 -0.05 0.13 0.00 0.00 0.00 0.00 58.73 58.59 3ig4 h TYR 205 Cb 1.27 -0.11 -0.09 0.00 0.00 0.00 0.00 36.73 37.80 3ig4 h TYR 205 CO -0.01 0.48 0.46 0.93 -0.00 0.00 0.00 178.16 180.02 3ig4 h GLU 206 N 0.35 0.68 -0.32 0.10 5.08 -1.96 0.28 114.58 118.79 3ig4 h GLU 206 Ca 0.07 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.22 3ig4 h GLU 206 Cb 0.41 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3ig4 h GLU 206 CO 0.02 0.45 -0.46 -0.07 -1.00 0.00 0.00 179.01 177.95 3ig4 h LEU 207 N 0.70 0.91 -0.75 1.33 3.38 -1.81 -2.98 115.31 116.09 3ig4 h LEU 207 Ca 0.44 -0.45 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3ig4 h LEU 207 Cb 0.55 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 3ig4 h LEU 207 CO -0.32 1.22 0.41 -0.08 0.09 0.00 0.00 178.44 179.77 3ig4 h GLU 208 N 0.66 0.69 -0.98 1.13 4.81 -0.34 -1.34 114.58 119.21 3ig4 h GLU 208 Ca 0.04 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.32 3ig4 h GLU 208 Cb 1.04 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 30.20 3ig4 h GLU 208 CO 0.10 0.46 0.63 0.00 -0.73 0.00 0.00 179.01 179.47 3ig4 h ALA 209 N 1.41 1.49 -0.64 2.92 0.00 -0.37 0.89 119.26 124.97 3ig4 h ALA 209 Ca 0.35 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 3ig4 h ALA 209 Cb 0.30 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3ig4 h ALA 209 CO -0.23 0.32 0.05 1.96 0.00 0.00 0.00 179.25 181.35 3ig4 h GLN 210 N 1.06 1.10 -0.15 0.00 1.08 -1.17 0.11 115.11 117.14 3ig4 h GLN 210 Ca 0.45 -0.33 -0.04 0.00 -1.45 0.00 0.00 58.65 57.28 3ig4 h GLN 210 Cb 0.32 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 3ig4 h GLN 210 CO -0.20 1.04 -0.08 0.35 -0.95 0.00 0.00 178.83 178.99 3ig4 h PHE 211 N 1.01 0.37 -0.82 2.96 3.57 -1.00 -2.47 116.94 120.57 3ig4 h PHE 211 Ca 0.19 -0.09 0.10 0.00 3.53 0.00 0.00 57.97 61.69 3ig4 h PHE 211 Cb 0.51 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.09 3ig4 h PHE 211 CO 0.04 0.65 0.46 -0.44 -2.23 0.00 0.00 178.31 176.79 3ig4 h ASP 212 N -0.01 0.64 -0.31 0.41 3.32 -0.70 -2.55 116.42 117.22 3ig4 h ASP 212 Ca 0.03 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3ig4 h ASP 212 Cb 0.56 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3ig4 h ASP 212 CO 0.02 0.36 0.20 0.15 -1.72 0.00 0.00 179.24 178.25 3ig4 h PHE 213 N 0.76 0.39 -0.58 4.55 3.57 -0.65 -0.61 116.94 124.36 3ig4 h PHE 213 Ca 0.40 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.94 3ig4 h PHE 213 Cb 0.40 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 3ig4 h PHE 213 CO -0.07 0.25 0.35 1.15 -2.23 0.00 0.00 178.31 177.76 3ig4 h THR 214 N 0.41 1.07 0.04 4.41 2.02 -1.05 -1.09 112.91 118.73 3ig4 h THR 214 Ca 0.11 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 3ig4 h THR 214 Cb -0.04 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 3ig4 h THR 214 CO -0.02 0.13 -0.02 -0.07 0.37 0.00 0.00 175.52 175.90 3ig4 h LEU 215 N 0.70 -0.05 -0.02 2.58 4.07 -1.23 -2.87 115.31 118.49 3ig4 h LEU 215 Ca 0.23 -0.27 0.01 0.00 0.08 0.00 0.00 57.88 57.94 3ig4 h LEU 215 Cb 0.02 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 3ig4 h LEU 215 CO -0.10 0.24 -0.06 0.50 -1.08 0.00 0.00 178.44 177.94 3ig4 h LYS 216 N -0.35 -0.10 0.00 1.13 1.63 -0.93 -1.03 116.57 116.92 3ig4 h LYS 216 Ca -0.01 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3ig4 h LYS 216 Cb 0.32 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 3ig4 h LYS 216 CO 0.01 -0.07 0.00 -1.13 -3.45 0.00 0.00 179.45 174.81 3ig4 n SER 217 N -5.18 0.00 -1.10 4.20 3.41 -0.43 -0.89 113.62 113.62 3ig4 n SER 217 Ca -0.06 0.11 0.11 0.00 -0.26 0.00 0.00 58.87 58.78 3ig4 n SER 217 Cb 0.11 -0.30 0.21 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.30 3.40 0.00 4.04 7.64 -0.44 -4.95 113.62 122.02 3ig4 n SER 218 Ca 0.06 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.98 3ig4 n SER 218 Cb 0.11 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 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 1.41 0.38 3.66 0.23 0.00 -0.07 -5.04 105.19 105.76 3ig4 n GLY 219 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.11 3.75 -0.06 -0.61 1.09 -0.92 -4.90 121.20 117.44 3ig4 s ILE 220 Ca 0.00 0.90 0.13 0.00 -1.10 0.00 0.00 60.65 60.58 3ig4 s ILE 220 Cb 0.00 -3.61 -0.10 0.00 -1.06 0.00 0.00 42.46 37.69 3ig4 s ILE 220 CO 0.00 -0.11 1.13 0.11 -0.10 0.00 0.00 174.94 175.97 3ig4 h LYS 221 N 9.39 0.00 -4.41 2.79 1.57 -1.88 -3.37 116.57 120.66 3ig4 h LYS 221 Ca -0.36 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.22 3ig4 h LYS 221 Cb 1.16 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.29 3ig4 h LYS 221 CO 0.96 0.58 -0.70 -1.01 -0.57 0.00 0.00 179.45 178.71 3ig4 s HIS 222 N -2.83 0.63 0.50 -1.35 3.76 -1.26 -5.10 115.29 109.64 3ig4 s HIS 222 Ca 0.00 -0.77 -0.05 0.00 -0.15 0.00 0.00 55.06 54.09 3ig4 s HIS 222 Cb 0.09 -0.40 -0.02 0.00 1.11 0.00 0.00 32.58 33.35 3ig4 s HIS 222 CO 0.79 -0.19 0.80 -1.01 -0.85 0.00 0.00 174.74 174.28 3ig4 s HIS 223 N -2.69 3.46 0.18 1.40 3.76 -1.26 -1.98 115.29 118.17 3ig4 s HIS 223 Ca -0.00 0.72 -0.10 0.00 -0.15 0.00 0.00 55.06 55.52 3ig4 s HIS 223 Cb -0.01 -2.39 0.09 0.00 1.11 0.00 0.00 32.58 31.38 3ig4 s HIS 223 CO -0.04 -0.40 1.72 0.00 -0.85 0.00 0.00 174.74 175.17 3ig4 h ALA 224 N 0.16 0.85 -2.45 -1.40 0.00 -0.53 -3.42 119.26 112.47 3ig4 h ALA 224 Ca -0.47 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 3ig4 h ALA 224 Cb 1.22 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3ig4 h ALA 224 CO 0.61 0.52 0.11 1.97 0.00 0.00 0.00 179.25 182.46 3ig4 n PHE 225 N -4.35 -1.55 -2.51 0.00 -1.74 -1.26 -4.78 117.46 101.27 3ig4 n PHE 225 Ca 0.04 -0.79 -0.43 0.00 -0.56 0.00 0.00 57.45 55.72 3ig4 n PHE 225 Cb 0.21 0.38 -0.02 0.00 1.52 0.00 0.00 39.48 41.58 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 -1.87 6.87 0.10 5.98 0.02 -1.26 -4.82 114.94 119.96 3ig4 s ASN 226 Ca 0.07 1.31 -0.36 0.00 -1.02 0.00 0.00 52.86 52.86 3ig4 s ASN 226 Cb -0.02 -2.54 -0.16 0.00 0.02 0.00 0.00 41.25 38.55 3ig4 s ASN 226 CO 0.05 -0.89 1.34 0.41 0.02 0.00 0.00 177.10 178.03 3ig4 n THR 227 N 5.79 0.12 -3.70 1.60 -1.04 -1.26 -4.90 114.28 110.89 3ig4 n THR 227 Ca 0.13 -0.03 -0.37 0.00 -2.04 0.00 0.00 64.05 61.75 3ig4 n THR 227 Cb 0.46 -0.89 -0.11 0.00 -1.82 0.00 0.00 70.33 67.97 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 0.43 4.99 -0.47 12.58 1.01 0.17 -4.79 121.20 135.11 3ig4 s ILE 228 Ca 0.82 0.05 0.04 0.00 0.00 0.00 0.00 60.65 61.56 3ig4 s ILE 228 Cb -0.91 -3.34 0.16 0.00 0.01 0.00 0.00 42.46 38.38 3ig4 s ILE 228 CO 0.47 0.32 0.35 -0.22 0.00 0.00 0.00 174.94 175.85 3ig4 s LEU 229 N 1.43 2.20 -0.20 2.97 0.20 -1.26 -0.80 118.68 123.22 3ig4 s LEU 229 Ca 0.06 -3.09 -0.07 0.00 0.69 0.00 0.00 54.13 51.73 3ig4 s LEU 229 Cb -0.15 -0.74 -0.03 0.00 -0.43 0.00 0.00 46.19 44.83 3ig4 s LEU 229 CO 0.07 -0.18 0.05 0.00 -0.29 0.00 0.00 176.35 176.00 3ig4 s ALA 230 N -0.12 3.25 0.17 5.97 0.00 -0.74 -4.67 121.76 125.62 3ig4 s ALA 230 Ca 0.28 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.40 3ig4 s ALA 230 Cb -0.04 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 3ig4 s ALA 230 CO -0.15 -0.05 0.09 -1.54 0.00 0.00 0.00 175.76 174.12 3ig4 s SER 231 N 0.81 5.30 0.47 0.00 1.04 -1.26 -0.48 113.70 119.57 3ig4 s SER 231 Ca 0.03 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.25 3ig4 s SER 231 Cb -0.14 -1.32 0.00 0.00 0.10 0.00 0.00 66.02 64.67 3ig4 s SER 231 CO 0.02 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.93 3ig4 n GLY 232 N -0.26 2.77 0.26 7.32 0.00 -0.89 -1.11 105.19 113.28 3ig4 n GLY 232 Ca -0.09 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 1.61 3.64 -1.93 -2.55 116.57 117.35 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 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3ig4 h LYS 233 CO 0.00 0.09 -0.00 -0.91 -2.27 0.00 0.00 179.45 176.36 3ig4 h ASN 234 N 0.00 0.00 0.55 4.20 -0.26 -1.46 -1.97 115.58 116.65 3ig4 h ASN 234 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3ig4 h ASN 234 Cb 0.20 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 3ig4 h ASN 234 CO 0.01 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.39 3ig4 n ALA 235 N -2.37 1.67 0.21 -0.83 0.00 -0.96 -1.90 120.51 116.33 3ig4 n ALA 235 Ca -0.03 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.47 3ig4 n ALA 235 Cb 0.09 -1.27 0.40 0.00 0.00 0.00 0.00 19.45 18.67 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 0.60 -3.53 0.00 2.02 -1.56 -3.42 112.91 107.02 3ig4 h THR 236 Ca 0.00 -1.26 -0.62 0.00 0.77 0.00 0.00 66.41 65.30 3ig4 h THR 236 Cb 0.27 1.85 -0.12 0.00 -1.74 0.00 0.00 68.15 68.42 3ig4 h THR 236 CO 0.00 0.25 0.33 -0.69 0.37 0.00 0.00 175.52 175.78 3ig4 s VAL 237 N -3.57 4.76 0.18 3.16 1.01 -0.80 -4.97 120.40 120.18 3ig4 s VAL 237 Ca 0.01 0.82 -0.17 0.00 0.00 0.00 0.00 61.98 62.64 3ig4 s VAL 237 Cb 0.10 -4.18 0.13 0.00 0.00 0.00 0.00 36.38 32.43 3ig4 s VAL 237 CO 0.65 -0.41 1.64 -0.07 0.00 0.00 0.00 175.10 176.91 3ig4 h LEU 238 N 9.67 -0.63 -3.73 3.92 4.07 -1.87 -2.30 115.31 124.45 3ig4 h LEU 238 Ca -0.25 0.16 -0.45 0.00 0.08 0.00 0.00 57.88 57.42 3ig4 h LEU 238 Cb 1.10 0.36 -0.26 0.00 1.08 0.00 0.00 40.66 42.94 3ig4 h LEU 238 CO 0.90 -0.21 0.17 1.41 -1.08 0.00 0.00 178.44 179.62 3ig4 n HIS 239 N -5.38 2.37 -1.68 1.13 8.25 -1.26 -5.03 115.22 113.62 3ig4 n HIS 239 Ca 0.04 -2.17 -0.54 0.00 -0.26 0.00 0.00 57.72 54.79 3ig4 n HIS 239 Cb 0.29 -0.81 -0.06 0.00 1.12 0.00 0.00 29.99 30.53 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 -0.99 2.01 0.00 4.41 9.36 -0.87 -4.85 117.16 126.23 3ig4 n TYR 240 Ca 0.48 0.44 0.00 0.00 3.32 0.00 0.00 57.90 62.14 3ig4 n TYR 240 Cb 1.04 -2.48 0.00 0.00 -0.63 0.00 0.00 39.34 37.27 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 4.95 3.61 -0.27 2.98 1.02 -1.26 -4.30 120.64 127.37 3ig4 n GLU 241 Ca 0.24 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.45 3ig4 n GLU 241 Cb 0.18 -0.56 0.20 0.00 -0.02 0.00 0.00 31.44 31.25 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 -0.17 -3.59 1.62 3.32 -1.92 -3.45 116.42 112.22 3ig4 h ASP 242 Ca 0.00 0.19 -0.33 0.00 0.02 0.00 0.00 57.03 56.91 3ig4 h ASP 242 Cb 0.00 0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3ig4 h ASP 242 CO 0.00 -0.14 -0.43 0.59 -1.72 0.00 0.00 179.24 177.54 3ig4 n ASN 243 N -5.27 -4.81 -0.92 6.45 3.02 -1.26 -4.86 115.26 107.61 3ig4 n ASN 243 Ca 0.16 0.07 0.05 0.00 -0.03 0.00 0.00 54.58 54.83 3ig4 n ASN 243 Cb 0.54 -4.03 0.12 0.00 -0.61 0.00 0.00 39.78 35.80 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 -1.94 1.40 -4.92 6.41 5.68 -1.26 -1.18 116.55 120.75 3ig4 n ASP 244 Ca -0.18 -3.05 -0.21 0.00 -0.50 0.00 0.00 54.79 50.85 3ig4 n ASP 244 Cb 0.64 -0.42 -0.02 0.00 -1.14 0.00 0.00 41.12 40.17 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 -1.84 3.92 -0.01 2.12 0.00 -1.26 -4.87 121.76 119.82 3ig4 s ALA 245 Ca 0.35 -1.42 -0.24 0.00 0.00 0.00 0.00 51.96 50.65 3ig4 s ALA 245 Cb 0.36 -1.51 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 3ig4 s ALA 245 CO -0.10 0.12 0.73 -1.14 0.00 0.00 0.00 175.76 175.37 3ig4 s GLN 246 N -4.00 4.45 -0.27 0.00 0.74 -1.26 -1.00 119.66 118.32 3ig4 s GLN 246 Ca 0.38 0.97 -0.29 0.00 0.05 0.00 0.00 55.36 56.47 3ig4 s GLN 246 Cb -0.08 -3.40 0.00 0.00 1.10 0.00 0.00 33.01 30.63 3ig4 s GLN 246 CO 0.28 0.19 1.26 0.42 -0.55 0.00 0.00 175.29 176.89 3ig4 s ILE 247 N 0.32 4.23 0.45 -2.34 1.01 -1.26 -4.93 121.20 118.68 3ig4 s ILE 247 Ca 0.38 1.42 -0.20 0.00 0.00 0.00 0.00 60.65 62.25 3ig4 s ILE 247 Cb -0.19 -4.16 -0.10 0.00 0.01 0.00 0.00 42.46 38.02 3ig4 s ILE 247 CO 0.21 -0.40 0.96 -1.10 0.00 0.00 0.00 174.94 174.61 3ig4 s GLN 248 N 3.93 4.15 0.21 2.79 -1.52 -1.26 -0.15 119.66 127.82 3ig4 s GLN 248 Ca 0.54 1.07 -0.31 0.00 -1.95 0.00 0.00 55.36 54.71 3ig4 s GLN 248 Cb -0.17 -2.17 -0.10 0.00 -0.22 0.00 0.00 33.01 30.35 3ig4 s GLN 248 CO 0.20 -0.09 1.48 1.21 -0.25 0.00 0.00 175.29 177.83 3ig4 s ASN 249 N -2.43 6.64 0.00 5.90 3.04 -1.26 -1.85 114.94 124.99 3ig4 s ASN 249 Ca 0.61 2.62 0.00 0.00 0.04 0.00 0.00 52.86 56.13 3ig4 s ASN 249 Cb -0.09 -2.61 0.00 0.00 -1.54 0.00 0.00 41.25 37.01 3ig4 s ASN 249 CO 0.18 -0.74 0.00 0.61 -3.04 0.00 0.00 177.10 174.11 3ig4 n GLY 250 N 2.82 0.43 3.78 1.21 0.00 -1.26 -5.06 105.19 107.12 3ig4 n GLY 250 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.33 6.53 0.14 1.61 1.01 -0.77 -4.94 116.67 117.91 3ig4 s ASP 251 Ca 0.00 2.07 -0.08 0.00 0.71 0.00 0.00 52.55 55.25 3ig4 s ASP 251 Cb 0.00 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.29 3ig4 s ASP 251 CO 0.00 -0.65 0.43 -0.22 0.21 0.00 0.00 175.17 174.93 3ig4 s LEU 252 N -2.93 4.27 -0.19 1.23 2.96 -1.26 -1.71 118.68 121.04 3ig4 s LEU 252 Ca 0.61 0.75 -0.00 0.00 -0.22 0.00 0.00 54.13 55.27 3ig4 s LEU 252 Cb -0.22 -3.29 0.02 0.00 0.50 0.00 0.00 46.19 43.20 3ig4 s LEU 252 CO 0.27 0.06 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.52 3ig4 s VAL 253 N -1.60 2.39 -0.26 1.68 1.01 0.11 -2.08 120.40 121.64 3ig4 s VAL 253 Ca 0.40 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 3ig4 s VAL 253 Cb -0.13 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 3ig4 s VAL 253 CO 0.22 0.48 0.44 -0.22 0.00 0.00 0.00 175.10 176.02 3ig4 s LEU 254 N 1.33 4.05 -0.21 3.92 0.20 0.37 -1.83 118.68 126.51 3ig4 s LEU 254 Ca 0.04 0.42 -0.07 0.00 0.69 0.00 0.00 54.13 55.21 3ig4 s LEU 254 Cb -0.14 -2.55 -0.04 0.00 -0.43 0.00 0.00 46.19 43.04 3ig4 s LEU 254 CO -0.10 -0.22 0.06 -0.76 -0.29 0.00 0.00 176.35 175.03 3ig4 s LEU 255 N 2.12 3.62 -0.22 -0.68 1.43 0.28 -1.80 118.68 123.43 3ig4 s LEU 255 Ca 0.18 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 3ig4 s LEU 255 Cb -0.16 -1.93 0.06 0.00 0.03 0.00 0.00 46.19 44.19 3ig4 s LEU 255 CO 0.09 0.09 -0.05 -0.62 0.23 0.00 0.00 176.35 176.10 3ig4 s ASP 256 N 0.87 3.55 0.29 2.29 -1.08 0.02 0.15 116.67 122.76 3ig4 s ASP 256 Ca 0.03 -1.03 -0.15 0.00 -0.52 0.00 0.00 52.55 50.88 3ig4 s ASP 256 Cb -0.14 -1.08 0.06 0.00 -1.46 0.00 0.00 42.92 40.30 3ig4 s ASP 256 CO 0.02 -0.23 0.75 0.00 0.52 0.00 0.00 175.17 176.24 3ig4 n LEU 257 N 4.74 0.00 0.00 -1.34 -0.00 -0.54 0.41 117.00 120.28 3ig4 n LEU 257 Ca -0.12 -1.95 0.00 0.00 -0.00 0.00 0.00 56.01 53.94 3ig4 n LEU 257 Cb 0.45 3.06 0.00 0.00 -0.00 0.00 0.00 43.42 46.93 3ig4 n LEU 257 CO 0.17 -0.65 0.00 0.61 -0.00 0.00 0.00 177.39 177.52 3ig4 n GLY 258 N -0.51 1.89 3.88 1.47 0.00 -1.26 -1.07 105.19 109.59 3ig4 n GLY 258 Ca -0.06 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.85 3.17 -0.10 4.61 0.00 -1.26 0.07 121.76 127.41 3ig4 s ALA 259 Ca 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 51.81 3ig4 s ALA 259 Cb 0.00 -2.96 0.01 0.00 0.00 0.00 0.00 23.12 20.17 3ig4 s ALA 259 CO 0.00 -0.58 -0.21 -1.14 0.00 0.00 0.00 175.76 173.82 3ig4 s GLN 260 N -5.02 2.78 -0.15 0.00 0.74 -0.84 -1.66 119.66 115.51 3ig4 s GLN 260 Ca 0.53 -0.78 0.02 0.00 0.05 0.00 0.00 55.36 55.18 3ig4 s GLN 260 Cb -0.11 -2.16 0.01 0.00 1.10 0.00 0.00 33.01 31.85 3ig4 s GLN 260 CO 0.51 0.10 -0.21 0.21 -0.55 0.00 0.00 175.29 175.35 3ig4 s LYS 261 N 0.54 3.04 -1.30 1.67 2.47 -0.27 -4.46 119.74 121.42 3ig4 s LYS 261 Ca -0.15 -0.84 -0.11 0.00 -1.56 0.00 0.00 55.97 53.31 3ig4 s LYS 261 Cb -0.17 -2.49 0.09 0.00 -1.46 0.00 0.00 37.83 33.80 3ig4 s LYS 261 CO 0.05 -0.06 0.50 -0.25 0.16 0.00 0.00 175.35 175.76 3ig4 n ASP 262 N 4.20 -3.36 0.00 1.43 8.00 -1.26 -0.99 116.55 124.57 3ig4 n ASP 262 Ca -0.20 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 54.83 3ig4 n ASP 262 Cb 0.51 -2.80 0.00 0.00 -0.02 0.00 0.00 41.12 38.82 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 -3.91 0.00 -3.34 1.24 4.01 -1.26 -5.02 117.16 108.88 3ig4 n TYR 263 Ca 0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.42 3ig4 n TYR 263 Cb 0.53 0.00 -0.06 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 -2.93 3.46 0.00 -0.72 1.51 -0.16 -4.49 117.35 114.03 3ig4 s TYR 264 Ca 0.00 1.00 0.06 0.00 -1.01 0.00 0.00 57.07 57.11 3ig4 s TYR 264 Cb 0.00 -2.35 -0.03 0.00 -0.11 0.00 0.00 41.96 39.47 3ig4 s TYR 264 CO 0.00 0.27 -0.16 -0.80 -1.11 0.00 0.00 175.55 173.76 3ig4 s ASN 265 N -2.18 3.93 0.32 2.29 0.01 -0.62 -1.12 114.94 117.58 3ig4 s ASN 265 Ca 0.46 -0.32 0.05 0.00 -0.71 0.00 0.00 52.86 52.34 3ig4 s ASN 265 Cb -0.12 -0.73 -0.02 0.00 0.41 0.00 0.00 41.25 40.79 3ig4 s ASN 265 CO 0.20 0.29 0.47 0.00 -1.51 0.00 0.00 177.10 176.55 3ig4 s ALA 266 N -0.85 4.04 -0.29 0.60 0.00 -0.66 -4.61 121.76 119.98 3ig4 s ALA 266 Ca 0.14 -1.30 0.03 0.00 0.00 0.00 0.00 51.96 50.83 3ig4 s ALA 266 Cb -0.11 -1.79 0.18 0.00 0.00 0.00 0.00 23.12 21.41 3ig4 s ALA 266 CO 0.04 0.01 0.53 0.34 0.00 0.00 0.00 175.76 176.67 3ig4 s ASP 267 N -4.11 -0.93 -0.02 0.00 2.15 -1.26 -4.49 116.67 108.01 3ig4 s ASP 267 Ca 0.42 0.16 0.03 0.00 0.43 0.00 0.00 52.55 53.59 3ig4 s ASP 267 Cb -0.09 1.75 -0.00 0.00 -0.30 0.00 0.00 42.92 44.27 3ig4 s ASP 267 CO 0.32 -0.31 -0.12 -0.63 -0.17 0.00 0.00 175.17 174.26 3ig4 s ILE 268 N 2.74 1.03 -0.05 4.11 -1.09 -0.23 -4.57 121.20 123.13 3ig4 s ILE 268 Ca 0.12 -0.52 0.05 0.00 -2.23 0.00 0.00 60.65 58.07 3ig4 s ILE 268 Cb -0.12 -0.88 -0.02 0.00 -1.58 0.00 0.00 42.46 39.86 3ig4 s ILE 268 CO -0.25 0.30 -0.19 -0.44 -1.23 0.00 0.00 174.94 173.13 3ig4 s SER 269 N -0.03 3.62 -0.15 3.58 0.01 -1.23 -1.46 113.70 118.05 3ig4 s SER 269 Ca -0.00 -0.33 -0.07 0.00 1.31 0.00 0.00 55.95 56.85 3ig4 s SER 269 Cb -0.08 -0.82 0.06 0.00 0.21 0.00 0.00 66.02 65.39 3ig4 s SER 269 CO 0.00 0.30 0.35 -0.47 0.41 0.00 0.00 173.24 173.83 3ig4 s TYR 270 N -0.47 -0.54 0.03 2.43 6.14 0.12 -1.65 117.35 123.41 3ig4 s TYR 270 Ca 0.06 1.16 0.09 0.00 0.64 0.00 0.00 57.07 59.01 3ig4 s TYR 270 Cb -0.12 0.18 -0.03 0.00 0.42 0.00 0.00 41.96 42.41 3ig4 s TYR 270 CO 0.01 -0.34 -0.26 0.99 0.64 0.00 0.00 175.55 176.60 3ig4 s THR 271 N 1.69 2.18 0.13 4.34 2.01 -1.25 0.10 115.64 124.84 3ig4 s THR 271 Ca -0.07 -1.30 -0.24 0.00 0.31 0.00 0.00 61.69 60.39 3ig4 s THR 271 Cb -0.10 -1.83 0.07 0.00 0.01 0.00 0.00 72.50 70.65 3ig4 s THR 271 CO -0.11 0.42 0.61 0.72 -0.69 0.00 0.00 174.62 175.57 3ig4 s PHE 272 N -0.77 -0.55 -0.06 4.92 -0.12 -0.76 -4.97 117.98 115.66 3ig4 s PHE 272 Ca 0.12 0.44 -0.28 0.00 -0.05 0.00 0.00 56.93 57.16 3ig4 s PHE 272 Cb -0.10 0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.80 3ig4 s PHE 272 CO 0.02 -0.82 0.90 -1.25 -0.05 0.00 0.00 175.22 174.02 3ig4 s PRO 273 N -3.39 4.47 0.25 1.99 0.04 -1.26 0.07 135.00 137.16 3ig4 s PRO 273 Ca -0.01 1.24 -0.04 0.00 0.04 0.00 0.00 61.00 62.24 3ig4 s PRO 273 Cb -0.01 -3.49 0.39 0.00 0.04 0.00 0.00 34.50 31.43 3ig4 s PRO 273 CO -0.10 -0.12 1.84 0.00 0.04 0.00 0.00 177.00 178.66 3ig4 h ALA 274 N 6.93 1.25 -0.12 8.56 0.00 -1.66 -1.19 119.26 133.03 3ig4 h ALA 274 Ca -0.37 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3ig4 h ALA 274 Cb 1.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3ig4 h ALA 274 CO 0.79 0.24 0.00 0.27 0.00 0.00 0.00 179.25 180.54 3ig4 n ASN 275 N -4.64 0.94 0.00 0.00 0.23 -1.26 -3.80 115.26 106.73 3ig4 n ASN 275 Ca 0.14 -1.69 0.00 0.00 -0.53 0.00 0.00 54.58 52.50 3ig4 n ASN 275 Cb 0.23 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 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 0.93 0.75 2.83 4.83 0.00 -0.45 -5.00 105.19 109.08 3ig4 n GLY 276 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.73 -0.24 0.29 2.61 2.01 -1.26 -4.54 115.64 111.78 3ig4 s THR 277 Ca 0.00 0.36 -0.29 0.00 0.31 0.00 0.00 61.69 62.06 3ig4 s THR 277 Cb 0.00 -0.28 -0.10 0.00 0.01 0.00 0.00 72.50 72.13 3ig4 s THR 277 CO 0.00 0.15 1.21 -0.36 -0.69 0.00 0.00 174.62 174.92 3ig4 s PHE 278 N 2.24 3.33 0.75 4.92 0.08 -1.26 -4.84 117.98 123.19 3ig4 s PHE 278 Ca 0.03 1.53 -0.11 0.00 0.12 0.00 0.00 56.93 58.50 3ig4 s PHE 278 Cb -0.12 -3.48 0.04 0.00 -0.57 0.00 0.00 43.02 38.89 3ig4 s PHE 278 CO -0.06 -1.22 1.09 -1.54 -0.10 0.00 0.00 175.22 173.39 3ig4 s SER 279 N -0.58 4.98 0.16 1.36 1.04 -1.26 -4.82 113.70 114.57 3ig4 s SER 279 Ca 0.48 1.33 -0.17 0.00 0.48 0.00 0.00 55.95 58.07 3ig4 s SER 279 Cb -0.36 -2.13 0.07 0.00 0.10 0.00 0.00 66.02 63.71 3ig4 s SER 279 CO 0.46 -1.66 1.70 0.28 0.98 0.00 0.00 173.24 174.99 3ig4 h SER 280 N -0.87 -0.18 -0.82 7.02 0.02 -1.99 0.90 113.55 117.63 3ig4 h SER 280 Ca -0.46 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3ig4 h SER 280 Cb 1.25 0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.91 3ig4 h SER 280 CO 0.60 -0.05 0.50 -0.09 -1.14 0.00 0.00 176.83 176.64 3ig4 h ARG 281 N 0.07 1.11 -0.24 3.45 9.65 -2.00 -1.77 114.38 124.66 3ig4 h ARG 281 Ca 0.17 -0.10 -0.11 0.00 -1.10 0.00 0.00 59.98 58.84 3ig4 h ARG 281 Cb 0.24 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 3ig4 h ARG 281 CO -0.30 0.78 -0.32 1.96 2.80 0.00 0.00 179.97 184.89 3ig4 h GLN 282 N 1.12 0.50 -0.78 0.20 4.20 -1.71 -2.23 115.11 116.41 3ig4 h GLN 282 Ca 0.29 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 3ig4 h GLN 282 Cb -0.05 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 3ig4 h GLN 282 CO -0.06 0.76 0.33 -0.22 -0.67 0.00 0.00 178.83 178.97 3ig4 h LYS 283 N 0.43 1.16 0.72 1.46 3.64 -0.30 -0.58 116.57 123.10 3ig4 h LYS 283 Ca 0.05 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 3ig4 h LYS 283 Cb 0.76 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3ig4 h LYS 283 CO 0.06 0.93 -0.41 1.96 -2.27 0.00 0.00 179.45 179.72 3ig4 h GLN 284 N 1.13 -1.01 -0.62 1.90 4.20 -0.88 -2.16 115.11 117.68 3ig4 h GLN 284 Ca 0.26 0.07 -0.04 0.00 0.06 0.00 0.00 58.65 59.00 3ig4 h GLN 284 Cb 0.19 0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 3ig4 h GLN 284 CO -0.02 -0.67 0.23 0.82 -0.67 0.00 0.00 178.83 178.51 3ig4 h ILE 285 N -1.05 1.22 -0.37 2.54 1.08 -1.33 -2.03 117.51 117.58 3ig4 h ILE 285 Ca -0.09 -0.72 -0.02 0.00 -0.39 0.00 0.00 64.86 63.64 3ig4 h ILE 285 Cb 0.83 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 35.07 3ig4 h ILE 285 CO 0.12 0.28 0.17 0.22 -0.69 0.00 0.00 178.15 178.25 3ig4 h TYR 286 N 0.89 0.54 -0.28 1.37 5.03 -1.05 -2.45 116.97 121.02 3ig4 h TYR 286 Ca 0.21 -0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.41 3ig4 h TYR 286 Cb 0.20 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.30 3ig4 h TYR 286 CO 0.01 0.47 -0.16 -0.91 -1.32 0.00 0.00 178.16 176.25 3ig4 h ASN 287 N 0.45 0.48 -0.12 -2.11 2.35 -1.11 0.11 115.58 115.62 3ig4 h ASN 287 Ca 0.13 -0.13 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3ig4 h ASN 287 Cb 0.14 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3ig4 h ASN 287 CO -0.01 0.66 -0.02 0.40 -1.65 0.00 0.00 177.43 176.80 3ig4 h ILE 288 N 0.45 0.89 -0.05 2.81 2.04 -1.15 0.20 117.51 122.69 3ig4 h ILE 288 Ca 0.08 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 3ig4 h ILE 288 Cb 0.54 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3ig4 h ILE 288 CO 0.03 0.00 0.02 0.58 0.00 0.00 0.00 178.15 178.79 3ig4 h VAL 289 N 0.01 1.15 -0.73 1.67 2.07 -1.02 -2.31 116.25 117.09 3ig4 h VAL 289 Ca 0.06 -0.44 0.08 0.00 0.82 0.00 0.00 66.70 67.22 3ig4 h VAL 289 Cb 0.08 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 3ig4 h VAL 289 CO -0.12 0.12 0.48 0.25 0.02 0.00 0.00 177.57 178.32 3ig4 h LEU 290 N -0.08 0.62 -0.06 2.57 5.85 -0.65 0.68 115.31 124.24 3ig4 h LEU 290 Ca 0.02 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 3ig4 h LEU 290 Cb 0.18 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 3ig4 h LEU 290 CO -0.00 0.39 0.03 0.78 -0.34 0.00 0.00 178.44 179.30 3ig4 h ASN 291 N 0.70 0.07 -0.79 1.25 2.35 -0.36 -1.67 115.58 117.12 3ig4 h ASN 291 Ca 0.33 -0.05 0.04 0.00 -0.55 0.00 0.00 56.30 56.07 3ig4 h ASN 291 Cb 0.36 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.67 3ig4 h ASN 291 CO -0.11 0.10 0.52 0.00 -1.65 0.00 0.00 177.43 176.29 3ig4 h ALA 292 N 0.97 1.55 -0.30 -0.83 0.00 -0.58 -0.07 119.26 120.00 3ig4 h ALA 292 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3ig4 h ALA 292 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ig4 h ALA 292 CO -0.00 0.36 0.13 1.25 0.00 0.00 0.00 179.25 180.99 3ig4 h LEU 293 N 0.95 0.40 -0.03 0.00 5.85 -0.54 -1.58 115.31 120.36 3ig4 h LEU 293 Ca 0.32 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3ig4 h LEU 293 Cb 0.09 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 3ig4 h LEU 293 CO -0.10 0.44 0.00 0.11 -0.34 0.00 0.00 178.44 178.55 3ig4 h LYS 294 N 0.35 0.05 -0.76 1.25 1.57 -0.82 -1.70 116.57 116.51 3ig4 h LYS 294 Ca 0.10 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3ig4 h LYS 294 Cb 0.15 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 3ig4 h LYS 294 CO -0.01 0.32 0.47 0.93 -0.57 0.00 0.00 179.45 180.59 3ig4 h GLU 295 N -0.22 1.03 -0.04 3.15 4.39 -1.01 -0.32 114.58 121.56 3ig4 h GLU 295 Ca 0.01 -0.09 -0.23 0.00 0.34 0.00 0.00 59.36 59.39 3ig4 h GLU 295 Cb 0.30 -0.22 0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3ig4 h GLU 295 CO 0.00 0.72 -0.91 1.15 -1.16 0.00 0.00 179.01 178.81 3ig4 h THR 296 N 1.04 1.34 -0.78 1.13 2.02 -1.32 -2.83 112.91 113.50 3ig4 h THR 296 Ca 0.27 -2.25 -0.01 0.00 0.77 0.00 0.00 66.41 65.19 3ig4 h THR 296 Cb -0.05 2.28 -0.04 0.00 -1.74 0.00 0.00 68.15 68.60 3ig4 h THR 296 CO -0.05 0.69 0.44 0.74 0.37 0.00 0.00 175.52 177.71 3ig4 h THR 297 N 0.35 1.23 -0.78 3.16 2.02 -1.05 -3.22 112.91 114.62 3ig4 h THR 297 Ca -0.08 -0.54 0.07 0.00 0.77 0.00 0.00 66.41 66.62 3ig4 h THR 297 Cb 1.54 0.16 -0.05 0.00 -1.74 0.00 0.00 68.15 68.06 3ig4 h THR 297 CO 0.17 0.25 0.51 -0.08 0.37 0.00 0.00 175.52 176.74 3ig4 h GLU 298 N 1.09 0.81 -0.01 6.66 4.57 -0.79 -2.37 114.58 124.53 3ig4 h GLU 298 Ca 0.28 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 3ig4 h GLU 298 Cb 0.00 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.41 3ig4 h GLU 298 CO -0.05 0.53 -0.03 0.44 -1.18 0.00 0.00 179.01 178.73 3ig4 n ILE 299 N -4.48 0.00 -2.19 2.32 -5.35 -1.21 -4.86 119.36 103.59 3ig4 n ILE 299 Ca 0.12 -0.10 -0.42 0.00 -0.27 0.00 0.00 62.75 62.07 3ig4 n ILE 299 Cb 0.22 -0.06 -0.03 0.00 -1.74 0.00 0.00 39.64 38.04 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 -2.12 3.86 -0.11 7.28 1.01 -0.89 -4.92 121.20 125.30 3ig4 s ILE 300 Ca 0.40 1.06 -0.30 0.00 0.00 0.00 0.00 60.65 61.81 3ig4 s ILE 300 Cb 0.21 -3.69 0.12 0.00 0.01 0.00 0.00 42.46 39.12 3ig4 s ILE 300 CO 0.38 -0.09 1.00 -1.59 0.00 0.00 0.00 174.94 174.65 3ig4 s LYS 301 N 3.67 0.61 0.24 2.79 -2.85 -1.26 -3.61 119.74 119.34 3ig4 s LYS 301 Ca 0.65 -0.07 -0.30 0.00 -1.00 0.00 0.00 55.97 55.26 3ig4 s LYS 301 Cb -0.29 0.28 -0.15 0.00 -2.06 0.00 0.00 37.83 35.62 3ig4 s LYS 301 CO 0.23 -0.24 1.06 -2.30 0.10 0.00 0.00 175.35 174.21 3ig4 n PRO 302 N 0.22 1.27 0.00 1.78 -0.02 -1.26 -1.85 135.00 135.14 3ig4 n PRO 302 Ca -0.08 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3ig4 n PRO 302 Cb 0.59 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 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 1.58 2.29 3.73 -1.23 0.00 -0.53 -4.99 105.19 106.04 3ig4 n GLY 303 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 4.43 0.08 0.99 2.96 -0.77 -4.73 118.68 121.64 3ig4 s LEU 304 Ca 0.00 2.10 -0.31 0.00 -0.22 0.00 0.00 54.13 55.70 3ig4 s LEU 304 Cb 0.00 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 43.02 3ig4 s LEU 304 CO 0.00 -0.36 1.38 -0.54 -1.32 0.00 0.00 176.35 175.51 3ig4 s LYS 305 N 0.23 4.32 0.35 1.98 1.02 -1.26 -0.80 119.74 125.57 3ig4 s LYS 305 Ca 0.54 2.02 0.11 0.00 0.02 0.00 0.00 55.97 58.67 3ig4 s LYS 305 Cb -0.30 -3.35 0.90 0.00 -0.52 0.00 0.00 37.83 34.56 3ig4 s LYS 305 CO 0.33 -0.46 1.80 0.35 -0.92 0.00 0.00 175.35 176.45 3ig4 h PHE 306 N 7.10 0.85 0.00 3.18 3.57 -1.09 0.32 116.94 130.88 3ig4 h PHE 306 Ca -0.41 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.12 3ig4 h PHE 306 Cb 1.20 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 3ig4 h PHE 306 CO 0.69 0.18 -0.01 0.00 -2.23 0.00 0.00 178.31 176.94 3ig4 h ALA 307 N 1.63 1.11 -0.22 2.41 0.00 -1.89 -2.55 119.26 119.75 3ig4 h ALA 307 Ca 0.55 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.37 3ig4 h ALA 307 Cb 1.08 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3ig4 h ALA 307 CO -0.31 0.01 -0.23 0.00 0.00 0.00 0.00 179.25 178.71 3ig4 h ALA 308 N 1.99 1.18 -0.11 0.00 0.00 -0.72 -3.10 119.26 118.50 3ig4 h ALA 308 Ca -0.00 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.63 3ig4 h ALA 308 Cb 0.05 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3ig4 h ALA 308 CO 0.00 0.52 -0.24 -0.07 0.00 0.00 0.00 179.25 179.46 3ig4 h LEU 309 N 0.37 -0.74 -0.90 0.00 3.38 -1.57 -1.09 115.31 114.76 3ig4 h LEU 309 Ca 0.06 0.12 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 3ig4 h LEU 309 Cb 0.62 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3ig4 h LEU 309 CO 0.04 -0.29 -0.45 -1.13 0.09 0.00 0.00 178.44 176.70 3ig4 h ASN 310 N -0.31 0.00 -0.43 -0.43 -0.73 -1.73 -0.96 115.58 110.98 3ig4 h ASN 310 Ca 0.10 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.24 3ig4 h ASN 310 Cb 0.46 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.03 3ig4 h ASN 310 CO -0.29 0.45 0.17 -0.33 -0.37 0.00 0.00 177.43 177.06 3ig4 h GLU 311 N 0.00 0.65 -0.29 6.67 5.08 -1.38 -1.51 114.58 123.80 3ig4 h GLU 311 Ca -0.00 -0.12 -0.18 0.00 -1.00 0.00 0.00 59.36 58.05 3ig4 h GLU 311 Cb 0.95 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3ig4 h GLU 311 CO 0.06 0.60 -0.54 1.25 -1.00 0.00 0.00 179.01 179.38 3ig4 h HIS 312 N 0.56 1.10 -0.15 4.33 2.76 -0.95 -1.68 115.15 121.12 3ig4 h HIS 312 Ca 0.14 -0.39 0.04 0.00 -2.20 0.00 0.00 60.37 57.96 3ig4 h HIS 312 Cb 0.19 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 28.90 3ig4 h HIS 312 CO 0.00 1.22 -0.09 0.00 -1.30 0.00 0.00 177.93 177.76 3ig4 h ALA 313 N 0.68 0.04 -0.38 5.26 0.00 -1.09 0.45 119.26 124.21 3ig4 h ALA 313 Ca 0.02 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3ig4 h ALA 313 Cb 1.15 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 3ig4 h ALA 313 CO 0.12 -0.53 0.22 0.87 0.00 0.00 0.00 179.25 179.93 3ig4 h LYS 314 N -0.09 0.44 -0.19 0.00 1.57 -1.20 -0.30 116.57 116.80 3ig4 h LYS 314 Ca 0.09 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 3ig4 h LYS 314 Cb 0.22 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 3ig4 h LYS 314 CO -0.21 0.29 -0.13 -0.22 -0.57 0.00 0.00 179.45 178.61 3ig4 h LYS 315 N 0.45 -0.13 -0.34 3.15 3.64 -0.69 -0.11 116.57 122.53 3ig4 h LYS 315 Ca 0.15 0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.38 3ig4 h LYS 315 Cb 0.01 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3ig4 h LYS 315 CO -0.08 -0.09 -0.44 0.28 -2.27 0.00 0.00 179.45 176.86 3ig4 h VAL 316 N -0.13 1.28 -0.49 2.00 2.07 -0.67 -1.67 116.25 118.63 3ig4 h VAL 316 Ca 0.11 -1.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 3ig4 h VAL 316 Cb 0.30 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3ig4 h VAL 316 CO -0.27 0.53 0.30 -0.07 0.02 0.00 0.00 177.57 178.09 3ig4 h LEU 317 N 0.70 0.58 -1.00 2.57 3.38 -0.81 -1.79 115.31 118.93 3ig4 h LEU 317 Ca 0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3ig4 h LEU 317 Cb 1.03 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 3ig4 h LEU 317 CO 0.10 0.46 0.52 0.00 0.09 0.00 0.00 178.44 179.60 3ig4 h ALA 318 N 1.15 1.25 -0.33 1.53 0.00 -0.86 -0.80 119.26 121.19 3ig4 h ALA 318 Ca 0.18 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3ig4 h ALA 318 Cb -0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 3ig4 h ALA 318 CO -0.03 0.63 0.21 0.93 0.00 0.00 0.00 179.25 180.98 3ig4 h GLU 319 N 1.22 0.41 -0.72 0.00 5.08 -0.88 0.15 114.58 119.84 3ig4 h GLU 319 Ca 0.31 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 3ig4 h GLU 319 Cb -0.03 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 3ig4 h GLU 319 CO -0.06 0.27 0.35 0.78 -1.00 0.00 0.00 179.01 179.35 3ig4 h GLY 320 N 0.42 1.12 1.11 -3.84 0.00 -1.04 -1.82 103.07 99.02 3ig4 h GLY 320 Ca 0.13 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 3ig4 h GLY 320 CO -0.05 0.53 -0.07 0.00 0.00 0.00 0.00 176.54 176.96 3ig4 h LYS 322 N 0.94 -0.04 -0.97 0.00 1.57 -0.63 0.11 116.57 117.56 3ig4 h LYS 322 Ca 0.15 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.00 3ig4 h LYS 322 Cb 0.63 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.89 3ig4 h LYS 322 CO 0.04 0.05 0.63 0.00 -0.57 0.00 0.00 179.45 179.61 3ig4 h ALA 323 N 0.85 1.44 0.00 3.86 0.00 -1.15 -2.44 119.26 121.81 3ig4 h ALA 323 Ca -0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 3ig4 h ALA 323 Cb 0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3ig4 h ALA 323 CO 0.01 0.42 -0.87 0.28 0.00 0.00 0.00 179.25 179.09 3ig4 h VAL 324 N 1.14 1.32 0.00 0.00 2.07 -1.13 -3.48 116.25 116.17 3ig4 h VAL 324 Ca 0.42 -2.90 0.00 0.00 0.82 0.00 0.00 66.70 65.03 3ig4 h VAL 324 Cb 0.16 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 3ig4 h VAL 324 CO -0.16 0.75 0.00 0.61 0.02 0.00 0.00 177.57 178.79 3ig4 n GLY 325 N 1.32 1.05 0.29 2.17 0.00 -0.15 -4.99 105.19 104.88 3ig4 n GLY 325 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.93 -8.60 0.99 5.85 -1.33 -3.46 115.31 109.70 3ig4 h LEU 326 Ca 0.00 -0.27 -0.26 0.00 0.84 0.00 0.00 57.88 58.19 3ig4 h LEU 326 Cb 0.00 -0.25 -0.15 0.00 0.37 0.00 0.00 40.66 40.63 3ig4 h LEU 326 CO 0.00 1.02 -0.65 0.27 -0.34 0.00 0.00 178.44 178.74 3ig4 s ILE 327 N -4.93 0.47 -0.22 4.05 -4.36 -1.18 -5.02 121.20 110.01 3ig4 s ILE 327 Ca -0.11 -1.96 -0.08 0.00 -0.26 0.00 0.00 60.65 58.24 3ig4 s ILE 327 Cb 0.14 -2.16 -0.11 0.00 1.25 0.00 0.00 42.46 41.59 3ig4 s ILE 327 CO 0.84 -0.41 -0.26 1.67 0.24 0.00 0.00 174.94 177.02 3ig4 n GLN 328 N -0.22 0.48 -4.37 0.37 -0.06 -1.26 -4.20 117.38 108.12 3ig4 n GLN 328 Ca -0.05 0.19 -0.24 0.00 -2.00 0.00 0.00 57.00 54.90 3ig4 n GLN 328 Cb 0.64 -1.32 -0.11 0.00 -4.06 0.00 0.00 30.24 25.38 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 -2.41 1.38 0.39 3.69 2.02 -1.26 -4.97 118.70 117.54 3ig4 s GLU 329 Ca -0.30 -1.47 0.13 0.00 0.02 0.00 0.00 54.97 53.35 3ig4 s GLU 329 Cb 0.11 -1.53 0.95 0.00 0.10 0.00 0.00 34.13 33.76 3ig4 s GLU 329 CO 0.41 0.32 1.86 -0.44 0.02 0.00 0.00 175.26 177.43 3ig4 h ASP 330 N 3.19 0.53 -0.71 -0.19 5.19 -1.96 -1.94 116.42 120.53 3ig4 h ASP 330 Ca -0.44 0.04 0.14 0.00 -0.62 0.00 0.00 57.03 56.16 3ig4 h ASP 330 Cb 1.21 -0.06 -0.05 0.00 0.18 0.00 0.00 39.33 40.62 3ig4 h ASP 330 CO 0.50 0.24 0.48 -0.08 -3.12 0.00 0.00 179.24 177.26 3ig4 h GLU 331 N 0.54 0.37 0.00 3.56 4.81 -2.02 -1.41 114.58 120.42 3ig4 h GLU 331 Ca 0.46 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 3ig4 h GLU 331 Cb 0.95 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.25 3ig4 h GLU 331 CO -0.20 0.24 0.00 0.39 -0.73 0.00 0.00 179.01 178.71 3ig4 n GLU 332 N -4.47 0.04 -0.14 1.92 1.02 -0.73 -3.41 120.64 114.88 3ig4 n GLU 332 Ca 0.13 0.31 -0.01 0.00 -0.02 0.00 0.00 57.16 57.57 3ig4 n GLU 332 Cb 0.51 -1.58 0.23 0.00 -0.02 0.00 0.00 31.44 30.58 3ig4 n GLU 332 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3ig4 h LEU 333 N 0.00 0.76 -1.37 -4.62 5.85 -1.43 -2.78 115.31 111.73 3ig4 h LEU 333 Ca 0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3ig4 h LEU 333 Cb 0.25 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3ig4 h LEU 333 CO 0.00 0.68 0.22 0.77 -0.34 0.00 0.00 178.44 179.77 3ig4 h SER 334 N 0.83 0.00 1.76 1.25 4.64 -1.72 0.57 113.55 120.87 3ig4 h SER 334 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3ig4 h SER 334 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3ig4 h SER 334 CO -0.02 0.00 0.00 0.50 -0.87 0.00 0.00 176.83 176.44 3ig4 h LYS 335 N 0.00 0.00 0.00 4.77 3.64 -1.77 -3.36 116.57 119.85 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 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3ig4 h LYS 335 CO 0.00 0.00 -0.80 0.66 -2.27 0.00 0.00 179.45 177.04 3ig4 n TYR 336 N -2.81 0.00 -3.63 1.91 4.01 0.18 -4.91 117.16 111.91 3ig4 n TYR 336 Ca 0.04 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.54 3ig4 n TYR 336 Cb 0.48 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.34 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 -1.73 0.18 -0.32 -0.72 5.04 -0.15 -0.51 117.35 119.14 3ig4 s TYR 337 Ca 0.00 -0.19 0.18 0.00 -2.44 0.00 0.00 57.07 54.62 3ig4 s TYR 337 Cb 0.00 -0.65 0.47 0.00 0.35 0.00 0.00 41.96 42.13 3ig4 s TYR 337 CO 0.00 -0.44 1.01 2.48 -1.34 0.00 0.00 175.55 177.26 3ig4 n TYR 338 N 5.28 1.40 -3.98 4.97 4.11 -1.26 -4.20 117.16 123.47 3ig4 n TYR 338 Ca -0.06 -2.66 -0.12 0.00 -0.00 0.00 0.00 57.90 55.07 3ig4 n TYR 338 Cb 0.49 -0.32 -0.02 0.00 -0.00 0.00 0.00 39.34 39.49 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 -3.32 0.61 0.60 -3.48 -3.43 -1.26 -5.16 115.29 99.86 3ig4 s HIS 339 Ca 0.29 -1.01 -0.13 0.00 -0.80 0.00 0.00 55.06 53.41 3ig4 s HIS 339 Cb 0.42 0.27 -0.04 0.00 -1.43 0.00 0.00 32.58 31.80 3ig4 s HIS 339 CO 0.00 -1.24 1.03 0.20 -2.00 0.00 0.00 174.74 172.73 3ig4 s GLY 340 N -3.14 1.86 0.23 -1.38 0.00 -1.26 -4.98 107.32 98.66 3ig4 s GLY 340 Ca 0.24 0.11 0.23 0.00 0.00 0.00 0.00 44.72 45.30 3ig4 s GLY 340 CO 0.15 0.40 1.27 -0.24 0.00 0.00 0.00 173.10 174.69 3ig4 h VAL 341 N 0.10 0.00 -3.56 1.40 3.04 -1.92 -3.47 116.25 111.85 3ig4 h VAL 341 Ca -0.45 -0.84 -0.16 0.00 -1.01 0.00 0.00 66.70 64.24 3ig4 h VAL 341 Cb 1.20 1.49 -0.22 0.00 -2.01 0.00 0.00 31.29 31.75 3ig4 h VAL 341 CO 0.60 0.00 -0.54 -0.55 -1.01 0.00 0.00 177.57 176.07 3ig4 s SER 342 N -5.20 0.01 0.06 3.17 0.15 -1.26 -0.21 113.70 110.43 3ig4 s SER 342 Ca 0.03 -0.12 -0.12 0.00 0.70 0.00 0.00 55.95 56.44 3ig4 s SER 342 Cb 0.10 0.21 0.01 0.00 -1.71 0.00 0.00 66.02 64.63 3ig4 s SER 342 CO 0.74 -0.27 0.26 -1.38 1.20 0.00 0.00 173.24 173.79 3ig4 s HIS 343 N -1.00 -0.02 0.76 3.44 -3.43 -1.23 -4.93 115.29 108.87 3ig4 s HIS 343 Ca -0.11 -0.23 -0.14 0.00 -0.80 0.00 0.00 55.06 53.78 3ig4 s HIS 343 Cb -0.06 0.05 0.06 0.00 -1.43 0.00 0.00 32.58 31.20 3ig4 s HIS 343 CO 0.01 -0.52 1.20 -0.06 -2.00 0.00 0.00 174.74 173.36 3ig4 s PHE 344 N -3.06 1.98 -0.00 0.38 0.08 -1.26 -1.13 117.98 114.96 3ig4 s PHE 344 Ca -0.01 1.63 0.01 0.00 0.12 0.00 0.00 56.93 58.67 3ig4 s PHE 344 Cb 0.01 -3.46 -0.00 0.00 -0.57 0.00 0.00 43.02 39.00 3ig4 s PHE 344 CO -0.07 -2.67 -0.03 -1.17 -0.10 0.00 0.00 175.22 171.19 3ig4 s LEU 345 N -5.39 1.98 0.00 -0.37 2.96 -0.54 -1.36 118.68 115.96 3ig4 s LEU 345 Ca 0.73 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.59 3ig4 s LEU 345 Cb -0.28 -0.17 0.00 0.00 0.50 0.00 0.00 46.19 46.24 3ig4 s LEU 345 CO 0.48 0.04 0.00 0.61 -1.32 0.00 0.00 176.35 176.15 3ig4 n GLY 346 N 3.03 -0.44 0.27 7.98 0.00 -1.26 -4.56 105.19 110.20 3ig4 n GLY 346 Ca -0.13 0.33 0.17 0.00 0.00 0.00 0.00 46.02 46.40 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 -8.96 0.99 3.38 -1.94 -1.66 115.31 107.12 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 -0.21 0.00 0.09 0.00 0.00 40.66 40.54 3ig4 h LEU 347 CO 0.00 0.00 -0.85 -1.81 0.09 0.00 0.00 178.44 175.87 3ig4 s ASP 348 N -5.39 3.48 0.06 -0.43 1.01 -1.26 -4.72 116.67 109.42 3ig4 s ASP 348 Ca 0.01 -0.70 -0.20 0.00 0.71 0.00 0.00 52.55 52.37 3ig4 s ASP 348 Cb 0.09 -0.31 -0.12 0.00 1.01 0.00 0.00 42.92 43.59 3ig4 s ASP 348 CO 0.50 0.18 1.45 0.74 0.21 0.00 0.00 175.17 178.24 3ig4 h THR 349 N 3.77 1.29 -3.24 -1.27 2.02 -1.86 -2.89 112.91 110.73 3ig4 h THR 349 Ca -0.51 -1.01 -0.78 0.00 0.77 0.00 0.00 66.41 64.88 3ig4 h THR 349 Cb 1.17 1.59 -0.25 0.00 -1.74 0.00 0.00 68.15 68.92 3ig4 h THR 349 CO 0.41 0.30 0.65 -1.00 0.37 0.00 0.00 175.52 176.26 3ig4 s HIS 350 N -4.75 4.08 1.07 3.16 3.76 -1.26 -4.43 115.29 116.91 3ig4 s HIS 350 Ca -0.14 -2.54 -0.14 0.00 -0.15 0.00 0.00 55.06 52.10 3ig4 s HIS 350 Cb 0.06 -3.95 0.17 0.00 1.11 0.00 0.00 32.58 29.96 3ig4 s HIS 350 CO 0.74 -1.06 0.66 -3.47 -0.85 0.00 0.00 174.74 170.75 3ig4 n ASP 351 N 3.44 -1.56 -4.70 1.40 2.03 -0.47 -4.95 116.55 111.75 3ig4 n ASP 351 Ca 0.26 0.06 -0.29 0.00 0.52 0.00 0.00 54.79 55.34 3ig4 n ASP 351 Cb 0.40 -1.21 0.12 0.00 -0.72 0.00 0.00 41.12 39.71 3ig4 n ASP 351 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3ig4 s VAL 352 N -2.41 1.99 0.00 5.18 -7.23 -1.26 -4.66 120.40 112.02 3ig4 s VAL 352 Ca 0.63 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.80 3ig4 s VAL 352 Cb -0.21 -2.97 0.00 0.00 0.56 0.00 0.00 36.38 33.76 3ig4 s VAL 352 CO 0.64 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.04 3ig4 n GLY 353 N -3.30 3.41 3.81 2.32 0.00 -1.26 -4.74 105.19 105.43 3ig4 n GLY 353 Ca 0.10 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.50 4.02 -0.06 2.61 -4.23 -1.26 -4.97 115.64 110.24 3ig4 s THR 354 Ca 0.00 1.18 0.10 0.00 -1.18 0.00 0.00 61.69 61.79 3ig4 s THR 354 Cb 0.00 -3.50 -0.15 0.00 1.34 0.00 0.00 72.50 70.18 3ig4 s THR 354 CO 0.00 -0.35 0.14 -1.22 -0.54 0.00 0.00 174.62 172.66 3ig4 n TYR 355 N -1.11 0.00 -1.68 3.99 4.02 -1.26 -4.79 117.16 116.33 3ig4 n TYR 355 Ca 0.08 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.54 3ig4 n TYR 355 Cb 0.53 -0.39 -0.03 0.00 -0.02 0.00 0.00 39.34 39.43 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 -2.14 2.71 -1.26 -0.72 4.81 -1.26 -1.69 118.16 118.61 3ig4 n LYS 356 Ca -0.09 0.99 -0.09 0.00 -0.87 0.00 0.00 58.31 58.24 3ig4 n LYS 356 Cb 0.56 -2.88 -0.04 0.00 0.02 0.00 0.00 35.03 32.70 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 5.92 -5.38 -4.73 3.14 8.00 -1.26 -4.93 116.55 117.31 3ig4 n ASP 357 Ca 0.19 0.22 -0.42 0.00 0.71 0.00 0.00 54.79 55.49 3ig4 n ASP 357 Cb 0.37 -3.67 -0.03 0.00 -0.02 0.00 0.00 41.12 37.76 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 -2.62 4.35 -0.05 -1.24 6.06 -0.68 -4.94 118.95 119.83 3ig4 s ARG 358 Ca 0.00 2.08 0.04 0.00 -2.50 0.00 0.00 55.73 55.34 3ig4 s ARG 358 Cb 0.00 -3.21 -0.03 0.00 0.06 0.00 0.00 34.95 31.77 3ig4 s ARG 358 CO 0.00 -0.34 -0.14 0.14 -2.50 0.00 0.00 175.30 172.46 3ig4 s VAL 359 N 0.52 3.06 0.32 7.11 -7.23 -1.26 -0.42 120.40 122.50 3ig4 s VAL 359 Ca 0.60 -0.72 -0.29 0.00 -1.81 0.00 0.00 61.98 59.76 3ig4 s VAL 359 Cb -0.37 -2.20 -0.10 0.00 0.56 0.00 0.00 36.38 34.27 3ig4 s VAL 359 CO 0.35 0.59 1.37 -0.76 -0.31 0.00 0.00 175.10 176.34 3ig4 s LEU 360 N -0.71 4.40 0.05 1.32 1.02 0.02 -4.87 118.68 119.90 3ig4 s LEU 360 Ca 0.11 2.74 -0.00 0.00 0.02 0.00 0.00 54.13 57.00 3ig4 s LEU 360 Cb -0.11 -3.65 -0.03 0.00 0.02 0.00 0.00 46.19 42.43 3ig4 s LEU 360 CO 0.01 -0.63 -0.04 -1.61 0.02 0.00 0.00 176.35 174.10 3ig4 s GLU 361 N -1.47 0.54 0.21 1.70 2.02 -1.26 -1.45 118.70 118.98 3ig4 s GLU 361 Ca 0.52 -1.00 -0.31 0.00 0.02 0.00 0.00 54.97 54.20 3ig4 s GLU 361 Cb -0.41 0.08 -0.15 0.00 0.10 0.00 0.00 34.13 33.75 3ig4 s GLU 361 CO 0.52 -0.06 1.12 -1.91 0.02 0.00 0.00 175.26 174.95 3ig4 n GLU 362 N 0.68 1.24 0.00 1.61 2.13 -1.26 -4.77 120.64 120.27 3ig4 n GLU 362 Ca -0.18 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.08 3ig4 n GLU 362 Cb 0.59 -1.90 0.00 0.00 0.27 0.00 0.00 31.44 30.40 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 1.81 0.68 3.63 8.31 0.00 -0.52 -4.91 105.19 114.20 3ig4 n GLY 363 Ca 0.13 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.04 -0.23 0.21 1.61 1.01 -1.26 -1.19 120.40 119.50 3ig4 s VAL 365 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3ig4 s VAL 365 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3ig4 s VAL 365 CO 0.00 0.00 0.10 0.27 0.00 0.00 0.00 175.10 175.47 3ig4 s ILE 366 N 1.89 0.26 0.24 2.22 -4.36 0.33 -1.47 121.20 120.32 3ig4 s ILE 366 Ca -0.09 -1.99 0.10 0.00 -0.26 0.00 0.00 60.65 58.42 3ig4 s ILE 366 Cb -0.06 -2.44 -0.04 0.00 1.25 0.00 0.00 42.46 41.16 3ig4 s ILE 366 CO -0.19 -0.11 -0.10 0.42 0.24 0.00 0.00 174.94 175.20 3ig4 s THR 367 N -3.96 3.04 -0.08 8.37 -4.23 -0.29 0.32 115.64 118.81 3ig4 s THR 367 Ca 0.35 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 58.87 3ig4 s THR 367 Cb 0.07 -2.58 0.03 0.00 1.34 0.00 0.00 72.50 71.36 3ig4 s THR 367 CO 0.10 -0.29 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.23 3ig4 s ILE 368 N -2.16 0.62 -0.42 2.99 -1.09 -0.42 -3.57 121.20 117.16 3ig4 s ILE 368 Ca 0.28 -0.05 0.08 0.00 -2.23 0.00 0.00 60.65 58.73 3ig4 s ILE 368 Cb -0.07 -0.72 0.30 0.00 -1.58 0.00 0.00 42.46 40.39 3ig4 s ILE 368 CO 0.17 0.29 0.82 -1.84 -1.23 0.00 0.00 174.94 173.15 3ig4 n GLU 369 N 4.92 0.89 -1.19 2.79 0.28 0.70 -0.95 120.64 128.08 3ig4 n GLU 369 Ca -0.11 -2.62 -0.31 0.00 -0.16 0.00 0.00 57.16 53.97 3ig4 n GLU 369 Cb 0.50 -1.36 0.11 0.00 1.43 0.00 0.00 31.44 32.12 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 -0.79 1.81 0.16 3.44 0.04 -1.25 -4.75 135.00 133.67 3ig4 s PRO 370 Ca 0.32 1.08 -0.24 0.00 0.04 0.00 0.00 61.00 62.20 3ig4 s PRO 370 Cb 0.27 -1.85 0.06 0.00 0.04 0.00 0.00 34.50 33.02 3ig4 s PRO 370 CO -0.11 -1.93 0.86 0.20 0.04 0.00 0.00 177.00 176.06 3ig4 s GLY 371 N -3.34 -0.27 0.00 0.56 0.00 -1.26 -2.93 107.32 100.07 3ig4 s GLY 371 Ca 0.62 0.20 0.02 0.00 0.00 0.00 0.00 44.72 45.57 3ig4 s GLY 371 CO 0.57 0.05 -0.08 1.08 0.00 0.00 0.00 173.10 174.72 3ig4 s LEU 372 N -2.84 2.04 -0.18 0.66 1.43 -0.25 -4.66 118.68 114.88 3ig4 s LEU 372 Ca 0.10 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 3ig4 s LEU 372 Cb -0.02 -0.39 0.06 0.00 0.03 0.00 0.00 46.19 45.86 3ig4 s LEU 372 CO 0.00 0.07 0.02 -0.31 0.23 0.00 0.00 176.35 176.36 3ig4 s TYR 373 N -0.30 1.12 -0.49 0.29 2.02 0.33 -1.11 117.35 119.21 3ig4 s TYR 373 Ca 0.02 -0.87 0.02 0.00 -0.37 0.00 0.00 57.07 55.87 3ig4 s TYR 373 Cb -0.04 -1.06 0.13 0.00 -0.40 0.00 0.00 41.96 40.59 3ig4 s TYR 373 CO -0.00 -0.60 0.25 0.42 -1.57 0.00 0.00 175.55 174.05 3ig4 s ILE 374 N 1.83 2.86 0.12 2.71 1.01 0.23 -4.45 121.20 125.51 3ig4 s ILE 374 Ca -0.01 -2.87 -0.19 0.00 0.00 0.00 0.00 60.65 57.58 3ig4 s ILE 374 Cb -0.17 -2.97 -0.06 0.00 0.01 0.00 0.00 42.46 39.27 3ig4 s ILE 374 CO -0.08 -0.76 1.76 -0.08 0.00 0.00 0.00 174.94 175.79 3ig4 h GLU 375 N 7.06 0.21 0.00 2.79 4.81 -1.92 -1.56 114.58 125.97 3ig4 h GLU 375 Ca -0.06 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3ig4 h GLU 375 Cb 0.95 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.28 3ig4 h GLU 375 CO 0.66 0.14 0.00 -0.85 -0.73 0.00 0.00 179.01 178.23 3ig4 n GLU 376 N -5.00 0.12 -0.01 1.92 0.00 -1.26 -1.57 120.64 114.84 3ig4 n GLU 376 Ca -0.03 0.20 0.03 0.00 0.00 0.00 0.00 57.16 57.36 3ig4 n GLU 376 Cb 0.05 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.02 3ig4 n GLU 376 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3ig4 n GLU 377 N -1.37 0.12 -3.35 3.44 1.02 -0.89 -5.01 120.64 114.60 3ig4 n GLU 377 Ca 0.05 -0.93 -0.24 0.00 -0.02 0.00 0.00 57.16 56.02 3ig4 n GLU 377 Cb 0.13 -1.11 0.04 0.00 -0.02 0.00 0.00 31.44 30.48 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 0.27 -5.58 -4.19 1.62 7.64 -0.61 -4.98 113.62 107.79 3ig4 n SER 378 Ca 0.03 -0.44 -0.32 0.00 1.01 0.00 0.00 58.87 59.16 3ig4 n SER 378 Cb 0.16 -4.48 -0.17 0.00 -1.01 0.00 0.00 64.21 58.71 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 -3.19 2.03 -0.06 0.44 1.01 -1.06 -3.45 121.20 116.93 3ig4 s ILE 379 Ca 0.44 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 3ig4 s ILE 379 Cb -0.21 -1.78 0.03 0.00 0.01 0.00 0.00 42.46 40.51 3ig4 s ILE 379 CO 0.55 0.55 -0.00 -0.83 0.00 0.00 0.00 174.94 175.20 3ig4 s GLY 380 N 0.59 0.42 -0.04 6.18 0.00 -1.26 -0.60 107.32 112.61 3ig4 s GLY 380 Ca -0.13 -0.05 0.03 0.00 0.00 0.00 0.00 44.72 44.57 3ig4 s GLY 380 CO 0.03 0.95 -0.10 -0.42 0.00 0.00 0.00 173.10 173.56 3ig4 s ILE 381 N 1.65 0.90 -0.08 0.90 1.01 -0.27 -4.64 121.20 120.67 3ig4 s ILE 381 Ca -0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 3ig4 s ILE 381 Cb -0.13 -0.80 0.03 0.00 0.01 0.00 0.00 42.46 41.57 3ig4 s ILE 381 CO -0.04 0.28 0.20 -0.60 0.00 0.00 0.00 174.94 174.78 3ig4 s ARG 382 N 0.31 0.18 -0.10 2.79 3.52 -1.26 -1.09 118.95 123.31 3ig4 s ARG 382 Ca -0.06 0.37 -0.00 0.00 -0.13 0.00 0.00 55.73 55.91 3ig4 s ARG 382 Cb -0.11 -0.04 0.02 0.00 -1.56 0.00 0.00 34.95 33.27 3ig4 s ARG 382 CO 0.01 -0.10 -0.07 0.42 -0.81 0.00 0.00 175.30 174.75 3ig4 s ILE 383 N 0.73 0.89 -0.06 4.11 1.01 -1.15 -3.25 121.20 123.48 3ig4 s ILE 383 Ca -0.05 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.39 3ig4 s ILE 383 Cb -0.07 -0.92 0.02 0.00 0.01 0.00 0.00 42.46 41.50 3ig4 s ILE 383 CO -0.04 0.34 -0.08 -0.70 0.00 0.00 0.00 174.94 174.45 3ig4 s GLU 384 N 1.58 1.26 0.30 2.79 2.12 -0.66 -3.75 118.70 122.34 3ig4 s GLU 384 Ca 0.02 -0.26 0.09 0.00 0.36 0.00 0.00 54.97 55.18 3ig4 s GLU 384 Cb -0.13 -1.13 -0.04 0.00 0.26 0.00 0.00 34.13 33.09 3ig4 s GLU 384 CO -0.06 -0.03 0.04 -0.51 -0.54 0.00 0.00 175.26 174.16 3ig4 s ASP 385 N 0.81 4.50 -0.36 -1.70 1.01 -0.12 -3.48 116.67 117.33 3ig4 s ASP 385 Ca -0.12 -0.75 -0.07 0.00 0.71 0.00 0.00 52.55 52.32 3ig4 s ASP 385 Cb -0.15 -0.75 0.05 0.00 1.01 0.00 0.00 42.92 43.08 3ig4 s ASP 385 CO 0.02 -0.12 0.14 -1.81 0.21 0.00 0.00 175.17 173.60 3ig4 s ASP 386 N -3.73 5.40 -0.13 0.27 1.01 -1.26 -1.30 116.67 116.93 3ig4 s ASP 386 Ca 0.34 -1.24 -0.06 0.00 0.71 0.00 0.00 52.55 52.30 3ig4 s ASP 386 Cb -0.04 -1.90 -0.04 0.00 1.01 0.00 0.00 42.92 41.95 3ig4 s ASP 386 CO 0.20 -0.38 0.11 -0.63 0.21 0.00 0.00 175.17 174.68 3ig4 s ILE 387 N 1.40 5.21 -0.16 0.77 -1.09 0.15 -1.47 121.20 126.01 3ig4 s ILE 387 Ca -0.00 0.10 -0.10 0.00 -2.23 0.00 0.00 60.65 58.42 3ig4 s ILE 387 Cb -0.20 -3.27 -0.05 0.00 -1.58 0.00 0.00 42.46 37.36 3ig4 s ILE 387 CO 0.03 0.59 0.18 -0.22 -1.23 0.00 0.00 174.94 174.28 3ig4 s LEU 388 N -0.74 4.28 -0.14 2.97 2.96 0.29 -0.51 118.68 127.79 3ig4 s LEU 388 Ca 0.13 0.38 -0.24 0.00 -0.22 0.00 0.00 54.13 54.18 3ig4 s LEU 388 Cb -0.12 -2.16 -0.02 0.00 0.50 0.00 0.00 46.19 44.38 3ig4 s LEU 388 CO 0.03 0.23 0.75 -0.69 -1.32 0.00 0.00 176.35 175.35 3ig4 s VAL 389 N -0.06 4.97 0.54 1.68 1.01 -1.26 -0.36 120.40 126.92 3ig4 s VAL 389 Ca 0.12 1.48 0.06 0.00 0.00 0.00 0.00 61.98 63.64 3ig4 s VAL 389 Cb -0.12 -4.07 0.04 0.00 0.00 0.00 0.00 36.38 32.23 3ig4 s VAL 389 CO 0.01 0.12 0.43 0.42 0.00 0.00 0.00 175.10 176.09 3ig4 s THR 390 N 1.61 1.75 0.33 3.92 -4.23 -0.42 -1.43 115.64 117.17 3ig4 s THR 390 Ca 0.36 -1.45 0.11 0.00 -1.18 0.00 0.00 61.69 59.53 3ig4 s THR 390 Cb -0.17 -2.20 0.33 0.00 1.34 0.00 0.00 72.50 71.80 3ig4 s THR 390 CO 0.14 0.00 1.73 0.50 -0.54 0.00 0.00 174.62 176.45 3ig4 h LYS 391 N 0.73 0.52 0.00 3.99 3.64 -1.96 -3.21 116.57 120.29 3ig4 h LYS 391 Ca -0.37 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3ig4 h LYS 391 Cb 1.30 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3ig4 h LYS 391 CO 0.56 0.35 0.00 -0.40 -2.27 0.00 0.00 179.45 177.69 3ig4 n ASP 392 N -4.85 0.24 0.00 4.20 5.68 -1.26 -4.74 116.55 115.82 3ig4 n ASP 392 Ca 0.27 -1.06 0.00 0.00 -0.50 0.00 0.00 54.79 53.50 3ig4 n ASP 392 Cb 0.78 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.76 3ig4 n ASP 392 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ig4 n GLY 393 N -0.03 2.30 3.16 6.12 0.00 -1.21 -4.83 105.19 110.70 3ig4 n GLY 393 Ca 0.00 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 1.26 0.93 -0.08 1.61 -3.43 -1.24 -1.30 115.29 113.04 3ig4 s HIS 394 Ca 0.00 -1.23 0.01 0.00 -0.80 0.00 0.00 55.06 53.03 3ig4 s HIS 394 Cb 0.00 -0.51 0.02 0.00 -1.43 0.00 0.00 32.58 30.66 3ig4 s HIS 394 CO 0.00 -0.51 -0.09 -2.00 -2.00 0.00 0.00 174.74 170.15 3ig4 s GLU 395 N -4.05 1.44 -0.61 -0.38 2.12 0.52 -4.80 118.70 112.94 3ig4 s GLU 395 Ca 0.26 -0.27 -0.26 0.00 0.36 0.00 0.00 54.97 55.05 3ig4 s GLU 395 Cb 0.07 -1.37 0.04 0.00 0.26 0.00 0.00 34.13 33.13 3ig4 s GLU 395 CO 0.03 -0.12 1.11 1.21 -0.54 0.00 0.00 175.26 176.95 3ig4 s ASN 396 N 1.19 6.34 0.46 -1.70 3.84 -1.26 -0.55 114.94 123.26 3ig4 s ASN 396 Ca -0.05 -0.22 0.31 0.00 0.21 0.00 0.00 52.86 53.11 3ig4 s ASN 396 Cb -0.14 -2.51 1.39 0.00 -0.55 0.00 0.00 41.25 39.44 3ig4 s ASN 396 CO -0.02 -1.47 1.93 -0.07 -2.79 0.00 0.00 177.10 174.68 3ig4 h LEU 397 N 11.80 0.00 -3.13 3.21 3.38 -1.62 -2.69 115.31 126.26 3ig4 h LEU 397 Ca -0.26 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 3ig4 h LEU 397 Cb 1.06 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 3ig4 h LEU 397 CO 1.17 0.00 -0.39 -1.54 0.09 0.00 0.00 178.44 177.78 3ig4 n SER 398 N -2.75 2.02 0.25 -0.43 3.41 -1.25 -4.75 113.62 110.13 3ig4 n SER 398 Ca 0.00 -3.87 0.08 0.00 -0.26 0.00 0.00 58.87 54.82 3ig4 n SER 398 Cb 0.22 -0.56 0.63 0.00 -0.26 0.00 0.00 64.21 64.25 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 1.04 0.00 0.00 4.33 2.10 -1.84 -2.60 116.57 119.59 3ig4 h LYS 399 Ca 0.08 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.72 3ig4 h LYS 399 Cb 1.20 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.53 3ig4 h LYS 399 CO 0.14 0.07 -0.04 -0.44 -2.00 0.00 0.00 179.45 177.18 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 0.13 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 3ig4 h ASP 400 CO 0.01 0.04 1.05 -0.63 -1.72 0.00 0.00 179.24 177.99 3ig4 s ILE 401 N -4.23 3.94 0.30 0.35 1.01 -0.98 -4.95 121.20 116.63 3ig4 s ILE 401 Ca -0.04 1.03 -0.29 0.00 0.00 0.00 0.00 60.65 61.35 3ig4 s ILE 401 Cb 0.13 -4.07 -0.11 0.00 0.01 0.00 0.00 42.46 38.43 3ig4 s ILE 401 CO 0.51 -0.54 1.45 0.27 0.00 0.00 0.00 174.94 176.64 3ig4 s ILE 402 N 5.02 2.45 0.00 2.92 -4.36 -1.26 -4.93 121.20 121.04 3ig4 s ILE 402 Ca 0.62 0.40 0.00 0.00 -0.26 0.00 0.00 60.65 61.41 3ig4 s ILE 402 Cb -0.17 -3.26 0.00 0.00 1.25 0.00 0.00 42.46 40.28 3ig4 s ILE 402 CO 0.28 0.08 0.00 0.54 0.24 0.00 0.00 174.94 176.08 3ig4 n ARG 403 N 1.69 1.33 -2.28 0.37 5.12 -1.26 -4.89 116.66 116.73 3ig4 n ARG 403 Ca 0.05 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.60 3ig4 n ARG 403 Cb 0.40 -0.89 -0.01 0.00 -1.16 0.00 0.00 32.46 30.79 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 -1.59 3.84 0.15 5.56 0.41 -1.26 -4.87 118.70 120.95 3ig4 s GLU 404 Ca 0.00 1.77 -0.22 0.00 -0.41 0.00 0.00 54.97 56.11 3ig4 s GLU 404 Cb 0.00 -2.47 0.04 0.00 -1.78 0.00 0.00 34.13 29.92 3ig4 s GLU 404 CO 0.00 -0.48 1.63 0.28 -0.49 0.00 0.00 175.26 176.20 3ig4 h VAL 405 N 1.98 0.40 -0.63 2.63 2.07 -1.99 -0.87 116.25 119.84 3ig4 h VAL 405 Ca -0.49 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 3ig4 h VAL 405 Cb 1.24 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3ig4 h VAL 405 CO 0.61 0.00 0.35 -0.33 0.02 0.00 0.00 177.57 178.22 3ig4 h GLU 406 N -0.22 0.86 -0.74 1.57 5.08 -1.99 -1.64 114.58 117.49 3ig4 h GLU 406 Ca 0.15 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 3ig4 h GLU 406 Cb 0.45 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3ig4 h GLU 406 CO -0.40 0.62 0.24 0.93 -1.00 0.00 0.00 179.01 179.41 3ig4 h GLU 407 N 0.87 1.14 0.23 2.33 5.08 -1.70 -1.26 114.58 121.27 3ig4 h GLU 407 Ca 0.22 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3ig4 h GLU 407 Cb 0.01 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.09 3ig4 h GLU 407 CO -0.04 0.96 -0.11 0.82 -1.00 0.00 0.00 179.01 179.64 3ig4 h ILE 408 N 1.10 0.73 -0.98 3.13 2.04 -0.79 -0.53 117.51 122.21 3ig4 h ILE 408 Ca 0.24 -0.92 0.16 0.00 1.00 0.00 0.00 64.86 65.34 3ig4 h ILE 408 Cb 0.29 1.18 -0.10 0.00 -0.74 0.00 0.00 36.82 37.45 3ig4 h ILE 408 CO -0.01 0.17 0.59 -0.33 0.00 0.00 0.00 178.15 178.57 3ig4 h GLU 409 N -0.85 0.80 -0.20 2.37 5.08 -1.34 -1.33 114.58 119.12 3ig4 h GLU 409 Ca -0.03 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3ig4 h GLU 409 Cb 0.51 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3ig4 h GLU 409 CO 0.05 0.53 -0.07 1.49 -1.00 0.00 0.00 179.01 180.01 3ig4 h GLU 410 N 0.83 0.39 -0.24 2.33 4.57 -1.21 -1.70 114.58 119.56 3ig4 h GLU 410 Ca 0.53 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.55 3ig4 h GLU 410 Cb 0.72 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 3ig4 h GLU 410 CO -0.34 0.67 0.00 0.34 -1.18 0.00 0.00 179.01 178.50 3ig4 n PHE 411 N -4.60 0.00 0.00 0.92 7.35 -0.21 -1.55 117.46 119.37 3ig4 n PHE 411 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 3ig4 n PHE 411 Cb 0.30 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.12 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 0.51 0.00 0.12 -4.13 0.63 -0.64 -0.96 116.66 112.19 3ig4 n ARG 413 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 3ig4 n ARG 413 Cb 0.00 0.00 0.12 0.00 0.45 0.00 0.00 32.46 33.03 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 0.05 0.00 -0.14 5.08 -1.56 -3.39 114.58 114.62 3ig4 h GLU 414 Ca 0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3ig4 h GLU 414 Cb 0.00 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3ig4 h GLU 414 CO 0.00 0.70 -1.00 0.09 -1.00 0.00 0.00 179.01 177.80 3ig4 n ASN 415 N -3.76 4.98 -4.66 1.42 4.13 -0.14 -4.99 115.26 112.25 3ig4 n ASN 415 Ca -0.01 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.82 3ig4 n ASN 415 Cb 0.66 0.98 -0.03 0.00 -1.54 0.00 0.00 39.78 39.85 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 -2.06 7.02 0.49 6.41 3.84 -1.26 -4.76 114.94 124.61 3ig4 s ASN 416 Ca -0.00 1.27 0.14 0.00 0.21 0.00 0.00 52.86 54.48 3ig4 s ASN 416 Cb 0.00 -2.51 1.15 0.00 -0.55 0.00 0.00 41.25 39.35 3ig4 s ASN 416 CO 0.00 -0.62 2.10 1.62 -2.79 0.00 0.00 177.10 177.42 3ig4 h VAL 417 N 5.44 1.00 -1.97 -5.21 3.04 -1.88 -3.20 116.25 113.45 3ig4 h VAL 417 Ca -0.20 -0.06 -0.67 0.00 -1.01 0.00 0.00 66.70 64.76 3ig4 h VAL 417 Cb 1.07 0.81 -0.36 0.00 -2.01 0.00 0.00 31.29 30.79 3ig4 h VAL 417 CO 0.94 0.03 -0.02 -0.46 -1.01 0.00 0.00 177.57 177.06 3ig4 n ASN 418 N -4.50 5.70 0.00 3.17 2.04 -1.26 -5.19 115.26 115.22 3ig4 n ASN 418 Ca 0.01 -3.73 0.00 0.00 -0.44 0.00 0.00 54.58 50.42 3ig4 n ASN 418 Cb 0.14 -0.74 0.00 0.00 -2.53 0.00 0.00 39.78 36.65 3ig4 n ASN 418 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34