#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 0.20 -0.39 3.14 4.64 -1.81 -0.72 113.55 118.60 3ig4 h SER 3 Ca 0.00 0.04 0.10 0.00 -0.47 0.00 0.00 61.79 61.46 3ig4 h SER 3 Cb 0.00 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 3ig4 h SER 3 CO 0.00 0.03 0.28 0.50 -0.87 0.00 0.00 176.83 176.77 3ig4 h LYS 4 N 0.18 0.05 -0.45 4.77 3.64 -1.90 -1.01 116.57 121.85 3ig4 h LYS 4 Ca 0.57 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.83 3ig4 h LYS 4 Cb 1.89 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.69 3ig4 h LYS 4 CO -0.14 0.03 -0.17 0.35 -2.27 0.00 0.00 179.45 177.25 3ig4 h PHE 5 N 0.05 1.04 0.00 1.91 3.57 -1.53 -2.21 116.94 119.79 3ig4 h PHE 5 Ca 0.19 -0.25 -0.21 0.00 3.53 0.00 0.00 57.97 61.23 3ig4 h PHE 5 Cb 0.67 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 3ig4 h PHE 5 CO -0.00 1.03 -0.92 0.74 -2.23 0.00 0.00 178.31 176.93 3ig4 h PHE 6 N 0.75 0.48 -0.91 0.41 0.04 -1.52 -2.58 116.94 113.61 3ig4 h PHE 6 Ca 0.11 -0.26 -0.01 0.00 2.80 0.00 0.00 57.97 60.60 3ig4 h PHE 6 Cb 0.74 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.79 3ig4 h PHE 6 CO 0.05 1.08 0.53 0.00 -0.60 0.00 0.00 178.31 179.37 3ig4 h ALA 7 N 0.83 1.21 -0.13 2.45 0.00 -1.14 -1.34 119.26 121.15 3ig4 h ALA 7 Ca -0.07 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 3ig4 h ALA 7 Cb 1.55 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3ig4 h ALA 7 CO 0.15 0.66 -0.59 1.96 0.00 0.00 0.00 179.25 181.43 3ig4 h GLN 8 N 1.27 0.42 -0.68 0.00 4.20 -1.39 -2.16 115.11 116.77 3ig4 h GLN 8 Ca 0.32 -0.28 0.05 0.00 0.06 0.00 0.00 58.65 58.80 3ig4 h GLN 8 Cb -0.02 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 3ig4 h GLN 8 CO -0.06 0.89 0.40 -0.91 -0.67 0.00 0.00 178.83 178.48 3ig4 h ASN 9 N 0.31 0.62 -0.66 1.46 2.35 -1.01 -1.39 115.58 117.26 3ig4 h ASN 9 Ca -0.00 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 3ig4 h ASN 9 Cb 1.12 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 39.35 3ig4 h ASN 9 CO 0.10 0.41 0.19 0.03 -1.65 0.00 0.00 177.43 176.52 3ig4 h ARG 10 N 0.76 1.04 -0.35 0.81 3.08 -1.06 -0.55 114.38 118.10 3ig4 h ARG 10 Ca 0.29 -0.23 0.02 0.00 0.07 0.00 0.00 59.98 60.13 3ig4 h ARG 10 Cb 0.12 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3ig4 h ARG 10 CO -0.15 0.91 0.19 0.93 -1.07 0.00 0.00 179.97 180.77 3ig4 h GLU 11 N 0.97 0.37 -0.30 0.04 5.08 -0.91 0.12 114.58 119.94 3ig4 h GLU 11 Ca 0.21 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.47 3ig4 h GLU 11 Cb 0.32 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3ig4 h GLU 11 CO -0.00 0.25 -0.16 0.00 -1.00 0.00 0.00 179.01 178.09 3ig4 h ARG 12 N 0.38 0.54 -0.39 2.33 3.08 -1.12 -2.78 114.38 116.43 3ig4 h ARG 12 Ca 0.15 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 3ig4 h ARG 12 Cb 0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3ig4 h ARG 12 CO -0.09 0.68 -0.26 1.25 -1.07 0.00 0.00 179.97 180.48 3ig4 h LEU 13 N 0.49 0.82 -1.18 3.04 5.85 -0.51 -2.90 115.31 120.93 3ig4 h LEU 13 Ca 0.08 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3ig4 h LEU 13 Cb 0.57 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3ig4 h LEU 13 CO 0.04 1.04 0.50 0.58 -0.34 0.00 0.00 178.44 180.26 3ig4 h VAL 14 N 0.69 1.21 0.00 1.05 2.07 -0.56 -2.26 116.25 118.45 3ig4 h VAL 14 Ca 0.09 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3ig4 h VAL 14 Cb 0.79 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3ig4 h VAL 14 CO 0.07 0.21 0.00 0.59 0.02 0.00 0.00 177.57 178.46 3ig4 n ASN 15 N -4.40 0.43 0.00 0.57 3.02 -1.07 -2.24 115.26 111.58 3ig4 n ASN 15 Ca 0.09 0.60 0.11 0.00 -0.03 0.00 0.00 54.58 55.35 3ig4 n ASN 15 Cb 0.05 -0.69 0.08 0.00 -0.61 0.00 0.00 39.78 38.61 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 -1.96 0.03 -3.88 3.41 -2.24 -0.86 -4.93 114.28 103.85 3ig4 n THR 16 Ca 0.03 -0.05 -0.34 0.00 -2.27 0.00 0.00 64.05 61.42 3ig4 n THR 16 Cb 0.22 0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 68.90 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 -3.17 4.37 0.86 3.22 1.43 -0.95 -5.09 118.68 119.35 3ig4 s LEU 17 Ca 0.09 0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 53.48 3ig4 s LEU 17 Cb 0.16 -2.52 0.11 0.00 0.03 0.00 0.00 46.19 43.98 3ig4 s LEU 17 CO 0.78 0.29 1.11 -2.16 0.23 0.00 0.00 176.35 176.60 3ig4 s PRO 18 N -1.74 1.50 0.81 1.29 0.04 -1.26 -5.00 135.00 130.63 3ig4 s PRO 18 Ca 0.25 1.25 -0.12 0.00 0.04 0.00 0.00 61.00 62.42 3ig4 s PRO 18 Cb -0.13 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 32.69 3ig4 s PRO 18 CO 0.16 -2.20 1.14 0.34 0.04 0.00 0.00 177.00 176.47 3ig4 s ASP 19 N -3.08 4.50 -1.28 6.66 2.15 -1.26 -4.19 116.67 120.16 3ig4 s ASP 19 Ca 0.64 1.00 -0.01 0.00 0.43 0.00 0.00 52.55 54.61 3ig4 s ASP 19 Cb -0.20 -1.62 -0.00 0.00 -0.30 0.00 0.00 42.92 40.80 3ig4 s ASP 19 CO 0.57 -1.93 0.74 -0.62 -0.17 0.00 0.00 175.17 173.76 3ig4 n GLU 20 N -3.36 -4.91 -3.94 4.34 -0.58 0.61 -5.00 120.64 107.80 3ig4 n GLU 20 Ca 0.07 0.65 -0.09 0.00 -0.42 0.00 0.00 57.16 57.37 3ig4 n GLU 20 Cb 0.59 -5.24 -0.09 0.00 -0.57 0.00 0.00 31.44 26.13 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 -4.32 0.22 0.03 1.62 1.04 -0.83 -4.27 113.70 107.19 3ig4 s SER 21 Ca 0.03 -0.65 0.05 0.00 0.48 0.00 0.00 55.95 55.86 3ig4 s SER 21 Cb -0.01 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 66.34 3ig4 s SER 21 CO 0.80 -0.58 -0.16 -0.51 0.98 0.00 0.00 173.24 173.77 3ig4 s ILE 22 N -3.18 1.28 -0.03 -1.02 2.07 -0.54 -1.10 121.20 118.67 3ig4 s ILE 22 Ca -0.00 -0.99 0.04 0.00 -1.41 0.00 0.00 60.65 58.30 3ig4 s ILE 22 Cb 0.02 -1.13 -0.01 0.00 0.13 0.00 0.00 42.46 41.48 3ig4 s ILE 22 CO -0.07 0.12 -0.17 -0.89 -1.91 0.00 0.00 174.94 172.02 3ig4 s THR 23 N -0.74 1.37 -0.09 4.00 2.01 -0.24 -0.30 115.64 121.64 3ig4 s THR 23 Ca 0.04 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.34 3ig4 s THR 23 Cb -0.08 -1.16 0.02 0.00 0.01 0.00 0.00 72.50 71.29 3ig4 s THR 23 CO 0.01 0.39 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.63 3ig4 s ILE 24 N -0.08 0.89 -0.05 1.82 1.01 -0.74 -1.11 121.20 122.95 3ig4 s ILE 24 Ca -0.01 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.44 3ig4 s ILE 24 Cb -0.10 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.44 3ig4 s ILE 24 CO 0.01 0.33 -0.19 -0.76 0.00 0.00 0.00 174.94 174.33 3ig4 s LEU 25 N 1.39 2.43 -0.17 2.97 1.43 -0.53 -4.20 118.68 122.00 3ig4 s LEU 25 Ca -0.02 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 3ig4 s LEU 25 Cb -0.14 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 3ig4 s LEU 25 CO -0.04 0.32 -0.06 -0.36 0.23 0.00 0.00 176.35 176.44 3ig4 s PHE 26 N -0.56 2.95 0.51 0.29 0.08 -1.26 -1.58 117.98 118.40 3ig4 s PHE 26 Ca 0.08 -0.60 0.16 0.00 0.12 0.00 0.00 56.93 56.69 3ig4 s PHE 26 Cb -0.11 -1.98 1.23 0.00 -0.57 0.00 0.00 43.02 41.58 3ig4 s PHE 26 CO 0.01 -0.26 2.13 0.00 -0.10 0.00 0.00 175.22 177.00 3ig4 h ALA 27 N 7.20 2.00 -0.32 5.36 0.00 -1.56 -3.47 119.26 128.47 3ig4 h ALA 27 Ca -0.33 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.61 3ig4 h ALA 27 Cb 1.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3ig4 h ALA 27 CO 0.60 -0.01 -0.06 0.41 0.00 0.00 0.00 179.25 180.19 3ig4 n GLY 28 N -1.54 -1.45 3.28 0.00 0.00 -1.26 -4.32 105.19 99.91 3ig4 n GLY 28 Ca -0.01 -1.50 -0.15 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.29 1.16 0.19 1.61 0.00 -1.26 -0.88 119.66 119.19 3ig4 s GLN 29 Ca 0.00 -1.53 -0.31 0.00 -0.00 0.00 0.00 55.36 53.53 3ig4 s GLN 29 Cb 0.00 -0.65 -0.09 0.00 0.00 0.00 0.00 33.01 32.27 3ig4 s GLN 29 CO 0.00 0.03 1.42 0.00 0.00 0.00 0.00 175.29 176.74 3ig4 s ALA 30 N -3.33 3.62 0.54 2.60 0.00 -1.26 -4.97 121.76 118.95 3ig4 s ALA 30 Ca 0.21 1.23 -0.19 0.00 0.00 0.00 0.00 51.96 53.20 3ig4 s ALA 30 Cb 0.03 -3.55 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 3ig4 s ALA 30 CO 0.03 -0.67 1.11 -1.25 0.00 0.00 0.00 175.76 174.99 3ig4 s PRO 31 N 0.35 3.42 1.11 0.00 0.04 -1.26 -4.77 135.00 133.89 3ig4 s PRO 31 Ca 0.62 1.56 -0.15 0.00 0.04 0.00 0.00 61.00 63.08 3ig4 s PRO 31 Cb -0.40 -2.02 0.18 0.00 0.04 0.00 0.00 34.50 32.31 3ig4 s PRO 31 CO 0.36 -0.78 0.58 1.58 0.04 0.00 0.00 177.00 178.78 3ig4 n HIS 32 N -1.27 -1.18 -3.60 0.56 -0.00 -1.26 -1.13 115.22 107.35 3ig4 n HIS 32 Ca 0.11 0.04 -0.38 0.00 -0.00 0.00 0.00 57.72 57.49 3ig4 n HIS 32 Cb 0.51 -1.68 -0.06 0.00 -0.00 0.00 0.00 29.99 28.76 3ig4 n HIS 32 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3ig4 s SER 34 N -2.17 6.67 0.96 0.26 0.15 -1.03 -4.64 113.70 113.90 3ig4 s SER 34 Ca 0.63 0.80 0.00 0.00 0.70 0.00 0.00 55.95 58.08 3ig4 s SER 34 Cb -0.20 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 3ig4 s SER 34 CO 0.65 0.33 0.00 0.00 1.20 0.00 0.00 173.24 175.42 3ig4 n ALA 35 N 2.02 0.00 1.57 5.45 0.00 -1.26 -0.12 120.51 128.16 3ig4 n ALA 35 Ca -0.15 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.40 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 3.24 1.00 -4.84 0.00 5.75 -1.26 -4.90 116.55 115.54 3ig4 n ASP 36 Ca 0.00 -1.53 -0.35 0.00 -0.01 0.00 0.00 54.79 52.90 3ig4 n ASP 36 Cb 0.00 -0.05 -0.06 0.00 -1.03 0.00 0.00 41.12 39.98 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 -1.90 3.54 0.23 2.12 0.00 0.82 -5.09 121.76 121.48 3ig4 s ALA 37 Ca 0.33 -0.09 0.10 0.00 0.00 0.00 0.00 51.96 52.31 3ig4 s ALA 37 Cb 0.17 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 3ig4 s ALA 37 CO 0.27 0.44 -0.14 -1.01 0.00 0.00 0.00 175.76 175.32 3ig4 s HIS 38 N -1.52 2.48 1.04 0.00 3.76 -1.26 -2.47 115.29 117.32 3ig4 s HIS 38 Ca 0.40 -0.28 -0.12 0.00 -0.15 0.00 0.00 55.06 54.91 3ig4 s HIS 38 Cb -0.15 -1.16 0.21 0.00 1.11 0.00 0.00 32.58 32.60 3ig4 s HIS 38 CO 0.19 0.59 1.07 0.71 -0.85 0.00 0.00 174.74 176.46 3ig4 s TYR 39 N -2.05 1.66 0.28 1.40 2.02 -0.28 -4.95 117.35 115.44 3ig4 s TYR 39 Ca 0.27 1.32 -0.29 0.00 -0.37 0.00 0.00 57.07 58.00 3ig4 s TYR 39 Cb -0.07 -3.18 -0.10 0.00 -0.40 0.00 0.00 41.96 38.21 3ig4 s TYR 39 CO 0.15 -3.26 1.41 0.15 -1.57 0.00 0.00 175.55 172.42 3ig4 s LYS 40 N -4.64 4.28 0.18 -0.62 1.02 -1.26 -4.70 119.74 114.00 3ig4 s LYS 40 Ca 0.67 2.30 -0.31 0.00 0.02 0.00 0.00 55.97 58.65 3ig4 s LYS 40 Cb -0.23 -3.09 -0.09 0.00 -0.52 0.00 0.00 37.83 33.90 3ig4 s LYS 40 CO 0.61 -0.36 1.47 0.12 -0.92 0.00 0.00 175.35 176.27 3ig4 s PHE 41 N -0.41 3.11 -0.27 3.18 5.36 -1.26 -4.89 117.98 122.80 3ig4 s PHE 41 Ca 0.56 0.86 0.02 0.00 -0.96 0.00 0.00 56.93 57.40 3ig4 s PHE 41 Cb -0.42 -3.82 0.06 0.00 -0.34 0.00 0.00 43.02 38.50 3ig4 s PHE 41 CO 0.48 -2.86 -0.08 0.08 -1.46 0.00 0.00 175.22 171.38 3ig4 s VAL 42 N 0.73 2.38 0.25 3.12 1.01 -1.26 -5.07 120.40 121.56 3ig4 s VAL 42 Ca 0.65 -1.54 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 3ig4 s VAL 42 Cb -0.41 -2.38 -0.14 0.00 0.00 0.00 0.00 36.38 33.45 3ig4 s VAL 42 CO 0.35 -0.03 1.20 -2.65 0.00 0.00 0.00 175.10 173.98 3ig4 n PRO 43 N 4.49 1.61 -2.14 2.72 -0.02 -1.26 -4.88 135.00 135.52 3ig4 n PRO 43 Ca -0.14 0.57 -0.43 0.00 -2.02 0.00 0.00 63.50 61.48 3ig4 n PRO 43 Cb 0.43 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 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 -0.13 6.65 0.22 2.55 3.84 -1.26 -4.91 114.94 121.90 3ig4 s ASN 44 Ca 0.65 1.92 -0.07 0.00 0.21 0.00 0.00 52.86 55.57 3ig4 s ASN 44 Cb -0.71 -2.53 0.18 0.00 -0.55 0.00 0.00 41.25 37.64 3ig4 s ASN 44 CO 0.55 -0.98 1.81 0.03 -2.79 0.00 0.00 177.10 175.72 3ig4 h ARG 45 N 9.56 1.23 -0.56 0.43 2.47 -1.95 0.53 114.38 126.08 3ig4 h ARG 45 Ca -0.34 -0.19 -0.04 0.00 -1.26 0.00 0.00 59.98 58.15 3ig4 h ARG 45 Cb 1.15 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 29.23 3ig4 h ARG 45 CO 0.97 0.95 0.20 -0.91 0.56 0.00 0.00 179.97 181.74 3ig4 h ASN 46 N 1.21 0.79 -0.33 7.04 2.35 -1.99 0.65 115.58 125.30 3ig4 h ASN 46 Ca 0.29 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3ig4 h ASN 46 Cb 0.14 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 3ig4 h ASN 46 CO -0.03 0.77 0.16 0.15 -1.65 0.00 0.00 177.43 176.82 3ig4 h PHE 47 N 0.77 0.48 -0.11 1.19 3.57 -1.43 -2.57 116.94 118.83 3ig4 h PHE 47 Ca 0.18 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 3ig4 h PHE 47 Cb 0.24 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3ig4 h PHE 47 CO 0.01 0.43 0.06 -0.92 -2.23 0.00 0.00 178.31 175.66 3ig4 h TYR 48 N 0.40 0.16 -0.24 0.41 5.03 0.16 -1.48 116.97 121.41 3ig4 h TYR 48 Ca 0.11 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.49 3ig4 h TYR 48 Cb 0.13 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.35 3ig4 h TYR 48 CO -0.02 0.20 0.23 -0.92 -1.32 0.00 0.00 178.16 176.33 3ig4 h TYR 49 N 0.07 0.00 0.01 -3.82 3.20 -0.72 0.59 116.97 116.30 3ig4 h TYR 49 Ca 0.04 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.57 3ig4 h TYR 49 Cb 0.10 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.31 3ig4 h TYR 49 CO -0.04 0.00 -2.10 0.28 -1.64 0.00 0.00 178.16 174.67 3ig4 n VAL 50 N -3.99 1.52 -0.02 1.81 0.31 -0.98 -4.66 118.33 112.32 3ig4 n VAL 50 Ca 0.03 -0.80 -0.01 0.00 -0.01 0.00 0.00 64.34 63.55 3ig4 n VAL 50 Cb 0.37 -0.86 -0.04 0.00 -0.91 0.00 0.00 33.84 32.39 3ig4 n VAL 50 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3ig4 n THR 51 N -2.96 0.26 -1.00 2.52 -2.24 -0.59 -4.65 114.28 105.62 3ig4 n THR 51 Ca -0.28 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3ig4 n THR 51 Cb 1.10 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 2.53 0.44 3.62 3.38 0.00 0.20 -4.02 105.19 111.34 3ig4 n GLY 52 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 3ig4 n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ig4 s ILE 53 N -1.90 5.26 -0.32 -0.61 -1.09 -1.26 -4.79 121.20 116.50 3ig4 s ILE 53 Ca 0.00 0.36 0.10 0.00 -2.23 0.00 0.00 60.65 58.87 3ig4 s ILE 53 Cb 0.00 -3.60 0.64 0.00 -1.58 0.00 0.00 42.46 37.92 3ig4 s ILE 53 CO 0.00 0.24 1.68 -0.90 -1.23 0.00 0.00 174.94 174.73 3ig4 n ASP 54 N 4.94 3.88 -4.51 3.58 5.75 -1.26 -4.56 116.55 124.37 3ig4 n ASP 54 Ca -0.12 -3.40 -0.26 0.00 -0.01 0.00 0.00 54.79 50.99 3ig4 n ASP 54 Cb 0.51 -0.70 -0.10 0.00 -1.03 0.00 0.00 41.12 39.80 3ig4 n ASP 54 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3ig4 s GLU 55 N -3.09 1.84 0.61 0.11 2.02 -1.26 -4.70 118.70 114.23 3ig4 s GLU 55 Ca 0.51 -1.42 -0.16 0.00 0.02 0.00 0.00 54.97 53.92 3ig4 s GLU 55 Cb 0.42 -2.01 -0.03 0.00 0.10 0.00 0.00 34.13 32.62 3ig4 s GLU 55 CO 0.09 0.41 1.09 -1.25 0.02 0.00 0.00 175.26 175.62 3ig4 s PRO 56 N -2.88 3.11 0.00 0.39 0.04 -1.26 -4.27 135.00 130.13 3ig4 s PRO 56 Ca 0.24 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.65 3ig4 s PRO 56 Cb -0.08 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3ig4 s PRO 56 CO 0.13 -1.00 0.00 0.09 0.04 0.00 0.00 177.00 176.26 3ig4 n ASN 57 N -2.03 -1.92 -4.87 6.66 4.13 -0.06 -4.92 115.26 112.25 3ig4 n ASN 57 Ca 0.10 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.06 3ig4 n ASN 57 Cb 0.52 -0.32 -0.03 0.00 -1.54 0.00 0.00 39.78 38.41 3ig4 n ASN 57 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3ig4 s VAL 58 N -2.54 4.78 -0.04 2.41 1.01 -1.26 -4.79 120.40 119.98 3ig4 s VAL 58 Ca 0.00 0.64 0.03 0.00 0.00 0.00 0.00 61.98 62.65 3ig4 s VAL 58 Cb 0.00 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 3ig4 s VAL 58 CO 0.00 -0.48 -0.14 -0.63 0.00 0.00 0.00 175.10 173.85 3ig4 s ILE 59 N -2.33 1.14 0.49 2.22 1.01 -0.75 -1.40 121.20 121.60 3ig4 s ILE 59 Ca 0.51 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.63 3ig4 s ILE 59 Cb -0.10 -1.00 0.03 0.00 0.01 0.00 0.00 42.46 41.40 3ig4 s ILE 59 CO 0.30 0.34 0.22 0.33 0.00 0.00 0.00 174.94 176.13 3ig4 n PHE 60 N 3.22 0.06 -3.15 3.97 7.35 -0.62 -0.89 117.46 127.40 3ig4 n PHE 60 Ca -0.18 -2.22 0.06 0.00 -0.76 0.00 0.00 57.45 54.35 3ig4 n PHE 60 Cb 0.53 -0.37 -0.02 0.00 0.35 0.00 0.00 39.48 39.98 3ig4 n PHE 60 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3ig4 s LEU 62 N 0.00 -0.04 -0.10 -2.13 2.96 -0.26 -1.46 118.68 117.65 3ig4 s LEU 62 Ca 0.17 0.02 -0.15 0.00 -0.22 0.00 0.00 54.13 53.95 3ig4 s LEU 62 Cb -0.01 1.03 -0.05 0.00 0.50 0.00 0.00 46.19 47.66 3ig4 s LEU 62 CO 0.11 -0.01 0.37 -0.54 -1.32 0.00 0.00 176.35 174.96 3ig4 s LYS 63 N 3.00 4.12 -0.36 1.98 1.02 0.04 -1.08 119.74 128.47 3ig4 s LYS 63 Ca -0.03 0.27 0.01 0.00 0.02 0.00 0.00 55.97 56.24 3ig4 s LYS 63 Cb -0.07 -3.35 0.11 0.00 -0.52 0.00 0.00 37.83 34.00 3ig4 s LYS 63 CO -0.09 0.39 0.13 0.21 -0.92 0.00 0.00 175.35 175.07 3ig4 s LYS 64 N -0.06 1.06 -0.04 1.68 2.20 -0.26 -1.06 119.74 123.25 3ig4 s LYS 64 Ca 0.21 -1.53 0.01 0.00 -0.36 0.00 0.00 55.97 54.30 3ig4 s LYS 64 Cb -0.15 -2.37 0.02 0.00 -1.51 0.00 0.00 37.83 33.83 3ig4 s LYS 64 CO 0.08 -1.03 -0.03 -0.06 -0.36 0.00 0.00 175.35 173.96 3ig4 s PHE 65 N 1.09 0.63 0.00 4.03 0.08 -1.05 -0.28 117.98 122.47 3ig4 s PHE 65 Ca 0.12 -0.15 0.00 0.00 0.12 0.00 0.00 56.93 57.02 3ig4 s PHE 65 Cb -0.20 -0.60 0.00 0.00 -0.57 0.00 0.00 43.02 41.65 3ig4 s PHE 65 CO -0.14 -0.18 0.00 0.41 -0.10 0.00 0.00 175.22 175.21 3ig4 n GLY 66 N 4.12 3.79 0.18 4.36 0.00 -1.26 -0.28 105.19 116.10 3ig4 n GLY 66 Ca -0.24 0.07 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 6.35 1.09 -4.87 1.61 3.02 -1.26 -4.92 115.26 116.28 3ig4 n ASN 67 Ca 0.00 -0.87 -0.31 0.00 -0.03 0.00 0.00 54.58 53.37 3ig4 n ASN 67 Cb 0.00 0.44 0.01 0.00 -0.61 0.00 0.00 39.78 39.61 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 -2.75 6.24 -0.25 6.41 0.01 0.62 -5.08 113.70 118.91 3ig4 s SER 68 Ca 0.16 1.40 -0.03 0.00 1.31 0.00 0.00 55.95 58.79 3ig4 s SER 68 Cb 0.18 -2.46 0.14 0.00 0.21 0.00 0.00 66.02 64.09 3ig4 s SER 68 CO 0.66 -0.84 0.40 -0.69 0.41 0.00 0.00 173.24 173.18 3ig4 s VAL 69 N -3.14 -0.65 -0.21 3.43 1.01 -1.26 -2.54 120.40 117.05 3ig4 s VAL 69 Ca 0.55 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 3ig4 s VAL 69 Cb -0.11 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.45 3ig4 s VAL 69 CO 0.53 -0.11 -0.11 -1.61 0.00 0.00 0.00 175.10 173.79 3ig4 s GLU 70 N 2.58 3.07 -0.12 2.72 2.02 -0.22 -4.95 118.70 123.79 3ig4 s GLU 70 Ca 0.14 -0.80 -0.05 0.00 0.02 0.00 0.00 54.97 54.27 3ig4 s GLU 70 Cb -0.15 -2.82 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 3ig4 s GLU 70 CO -0.16 -0.26 0.08 -1.21 0.02 0.00 0.00 175.26 173.73 3ig4 s GLU 71 N 1.36 3.40 0.01 1.61 2.02 -1.26 -0.78 118.70 125.06 3ig4 s GLU 71 Ca 0.04 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 54.77 3ig4 s GLU 71 Cb -0.14 -3.06 -0.01 0.00 0.10 0.00 0.00 34.13 31.01 3ig4 s GLU 71 CO -0.08 0.65 -0.03 0.99 0.02 0.00 0.00 175.26 176.82 3ig4 s THR 72 N -0.70 0.20 -0.05 3.63 2.01 -1.26 -4.25 115.64 115.22 3ig4 s THR 72 Ca 0.12 -0.44 0.05 0.00 0.31 0.00 0.00 61.69 61.73 3ig4 s THR 72 Cb -0.12 -0.24 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 3ig4 s THR 72 CO 0.03 -0.15 -0.20 -0.76 -0.69 0.00 0.00 174.62 172.84 3ig4 s LEU 73 N -0.63 2.40 -0.27 4.42 1.43 -0.37 -4.42 118.68 121.25 3ig4 s LEU 73 Ca -0.05 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 3ig4 s LEU 73 Cb -0.04 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.73 3ig4 s LEU 73 CO -0.00 0.31 0.02 -0.36 0.23 0.00 0.00 176.35 176.54 3ig4 s PHE 74 N -0.51 3.09 0.48 0.29 0.40 -0.07 0.59 117.98 122.25 3ig4 s PHE 74 Ca 0.07 -1.11 0.06 0.00 -0.60 0.00 0.00 56.93 55.35 3ig4 s PHE 74 Cb -0.11 -2.17 -0.00 0.00 0.51 0.00 0.00 43.02 41.24 3ig4 s PHE 74 CO 0.01 -0.60 0.29 0.96 0.70 0.00 0.00 175.22 176.58 3ig4 s ILE 75 N 1.45 1.95 0.30 0.64 -4.36 0.40 -1.80 121.20 119.78 3ig4 s ILE 75 Ca 0.03 -1.59 -0.27 0.00 -0.26 0.00 0.00 60.65 58.56 3ig4 s ILE 75 Cb -0.16 -2.54 -0.10 0.00 1.25 0.00 0.00 42.46 40.91 3ig4 s ILE 75 CO -0.01 0.00 0.94 -1.61 0.24 0.00 0.00 174.94 174.51 3ig4 s GLU 76 N -4.10 4.64 0.63 0.37 0.41 -1.26 -0.85 118.70 118.54 3ig4 s GLU 76 Ca 0.35 1.36 -0.14 0.00 -0.41 0.00 0.00 54.97 56.13 3ig4 s GLU 76 Cb -0.00 -2.90 -0.02 0.00 -1.78 0.00 0.00 34.13 29.42 3ig4 s GLU 76 CO 0.21 0.33 1.06 0.15 -0.49 0.00 0.00 175.26 176.52 3ig4 s LYS 77 N -1.86 3.18 0.21 1.61 1.02 -1.26 -4.95 119.74 117.69 3ig4 s LYS 77 Ca 0.48 1.12 -0.30 0.00 0.02 0.00 0.00 55.97 57.29 3ig4 s LYS 77 Cb -0.20 -2.02 -0.08 0.00 -0.52 0.00 0.00 37.83 35.01 3ig4 s LYS 77 CO 0.25 -0.91 1.06 -1.54 -0.92 0.00 0.00 175.35 173.29 3ig4 s SER 78 N -3.12 7.36 -0.32 2.83 1.04 -1.26 -5.03 113.70 115.21 3ig4 s SER 78 Ca 0.62 2.09 0.02 0.00 0.48 0.00 0.00 55.95 59.15 3ig4 s SER 78 Cb -0.15 -2.61 0.10 0.00 0.10 0.00 0.00 66.02 63.45 3ig4 s SER 78 CO 0.43 -0.12 0.06 -0.62 0.98 0.00 0.00 173.24 173.97 3ig4 s ASP 79 N -0.50 4.35 0.62 7.02 2.15 -1.26 -5.01 116.67 124.03 3ig4 s ASP 79 Ca 0.46 -1.82 0.32 0.00 0.43 0.00 0.00 52.55 51.94 3ig4 s ASP 79 Cb -0.29 -1.25 1.82 0.00 -0.30 0.00 0.00 42.92 42.90 3ig4 s ASP 79 CO 0.36 -0.38 2.13 -0.65 -0.17 0.00 0.00 175.17 176.46 3ig4 h PRO 80 N 7.86 0.00 -0.98 4.34 0.11 -2.00 -2.59 132.00 138.73 3ig4 h PRO 80 Ca -0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3ig4 h PRO 80 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3ig4 h PRO 80 CO 0.49 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.56 3ig4 n VAL 81 N -3.51 0.37 0.00 3.15 0.31 -1.26 -4.09 118.33 113.30 3ig4 n VAL 81 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3ig4 n VAL 81 Cb 0.27 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.56 3ig4 n VAL 81 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3ig4 n GLU 83 N 0.30 0.00 0.03 5.55 1.02 -0.98 -3.99 120.64 122.57 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 0.30 -0.36 0.30 0.00 -0.02 0.00 0.00 31.44 31.66 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 -0.14 0.12 -0.08 3.49 5.02 -1.26 -3.02 118.16 122.28 3ig4 n LYS 84 Ca 0.00 0.04 -0.15 0.00 -2.02 0.00 0.00 58.31 56.18 3ig4 n LYS 84 Cb 0.00 -1.58 -0.06 0.00 -0.02 0.00 0.00 35.03 33.36 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 -1.76 0.00 0.04 2.13 7.02 -1.26 -4.84 117.44 118.77 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 0.38 -0.60 -0.00 0.00 -2.42 0.00 0.00 31.31 28.67 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 -3.47 0.00 -0.11 -0.99 0.31 -1.26 -5.14 118.33 107.68 3ig4 n VAL 86 Ca -0.31 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.54 3ig4 n VAL 86 Cb 0.75 1.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.68 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 1.01 -3.67 3.77 2.92 0.00 -1.17 -4.98 105.19 103.07 3ig4 n GLY 87 Ca 0.00 -2.02 -0.39 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.81 4.60 0.49 1.61 1.02 -1.26 -4.24 119.74 121.15 3ig4 s LYS 88 Ca 0.00 1.53 -0.02 0.00 0.02 0.00 0.00 55.97 57.50 3ig4 s LYS 88 Cb 0.00 -2.99 -0.01 0.00 -0.52 0.00 0.00 37.83 34.31 3ig4 s LYS 88 CO 0.00 0.25 0.76 0.95 -0.92 0.00 0.00 175.35 176.39 3ig4 s THR 89 N -1.38 4.07 0.27 2.17 -4.23 -1.26 -5.01 115.64 110.28 3ig4 s THR 89 Ca 0.47 -0.23 -0.28 0.00 -1.18 0.00 0.00 61.69 60.47 3ig4 s THR 89 Cb -0.25 -3.55 -0.14 0.00 1.34 0.00 0.00 72.50 69.90 3ig4 s THR 89 CO 0.31 -0.46 0.98 0.55 -0.54 0.00 0.00 174.62 175.46 3ig4 n VAL 90 N -2.25 1.92 -2.81 2.29 3.14 -1.26 -4.95 118.33 114.40 3ig4 n VAL 90 Ca 0.02 -0.48 -0.23 0.00 -2.96 0.00 0.00 64.34 60.69 3ig4 n VAL 90 Cb 0.57 -0.90 0.02 0.00 -1.06 0.00 0.00 33.84 32.48 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 -0.56 5.63 0.19 6.55 1.04 -1.26 -4.82 113.70 120.47 3ig4 s SER 91 Ca 0.60 0.25 -0.17 0.00 0.48 0.00 0.00 55.95 57.11 3ig4 s SER 91 Cb -0.73 -1.35 0.16 0.00 0.10 0.00 0.00 66.02 64.19 3ig4 s SER 91 CO 0.59 -0.88 1.62 -1.13 0.98 0.00 0.00 173.24 174.42 3ig4 h ASN 92 N 0.23 -0.72 0.30 7.02 -0.73 -1.92 -0.82 115.58 118.93 3ig4 h ASN 92 Ca -0.45 0.18 -0.19 0.00 1.87 0.00 0.00 56.30 57.72 3ig4 h ASN 92 Cb 1.27 0.41 -0.01 0.00 0.27 0.00 0.00 38.32 40.26 3ig4 h ASN 92 CO 0.56 -0.24 -0.75 -0.33 -0.37 0.00 0.00 177.43 176.30 3ig4 h GLU 93 N -0.08 0.38 -0.31 6.67 5.08 -1.97 -2.77 114.58 121.58 3ig4 h GLU 93 Ca 0.25 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3ig4 h GLU 93 Cb 0.47 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3ig4 h GLU 93 CO -0.59 0.97 0.02 0.93 -1.00 0.00 0.00 179.01 179.35 3ig4 h GLU 94 N 0.25 0.53 -0.52 2.33 5.08 -1.88 -1.74 114.58 118.63 3ig4 h GLU 94 Ca -0.03 -0.16 0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3ig4 h GLU 94 Cb 1.34 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.46 3ig4 h GLU 94 CO 0.13 0.65 0.11 0.00 -1.00 0.00 0.00 179.01 178.90 3ig4 h ALA 95 N 0.86 0.59 -0.62 3.43 0.00 -1.14 -0.32 119.26 122.07 3ig4 h ALA 95 Ca 0.09 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3ig4 h ALA 95 Cb 0.40 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3ig4 h ALA 95 CO 0.01 -0.30 0.32 1.49 0.00 0.00 0.00 179.25 180.76 3ig4 h GLU 96 N 0.25 0.88 -0.48 0.00 4.81 -1.35 -2.44 114.58 116.24 3ig4 h GLU 96 Ca 0.26 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 3ig4 h GLU 96 Cb 0.36 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3ig4 h GLU 96 CO -0.34 0.69 0.18 -0.22 -0.73 0.00 0.00 179.01 178.59 3ig4 h LYS 97 N 0.84 0.73 -0.06 1.92 3.11 -0.53 -1.25 116.57 121.32 3ig4 h LYS 97 Ca 0.21 -0.14 -0.25 0.00 -2.81 0.00 0.00 60.65 57.67 3ig4 h LYS 97 Cb 0.09 -0.11 0.02 0.00 -1.00 0.00 0.00 32.23 31.22 3ig4 h LYS 97 CO -0.03 0.66 -0.95 0.82 -2.81 0.00 0.00 179.45 177.14 3ig4 h ILE 98 N 0.64 1.28 0.00 2.00 2.04 -0.99 -3.35 117.51 119.12 3ig4 h ILE 98 Ca 0.16 -2.15 -0.22 0.00 1.00 0.00 0.00 64.86 63.65 3ig4 h ILE 98 Cb 0.21 2.23 -0.04 0.00 -0.74 0.00 0.00 36.82 38.48 3ig4 h ILE 98 CO -0.01 0.67 -1.73 -1.54 0.00 0.00 0.00 178.15 175.54 3ig4 n SER 99 N -3.88 0.60 0.00 1.72 3.41 -0.93 -3.93 113.62 110.61 3ig4 n SER 99 Ca -0.10 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 3ig4 n SER 99 Cb 0.83 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 65.26 3ig4 n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ig4 n GLY 100 N 1.49 0.58 3.63 5.00 0.00 -0.47 -4.35 105.19 111.07 3ig4 n GLY 100 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.37 4.93 0.02 -0.61 1.01 -1.24 -4.98 121.20 117.95 3ig4 s ILE 101 Ca 0.00 1.30 -0.24 0.00 0.00 0.00 0.00 60.65 61.72 3ig4 s ILE 101 Cb 0.00 -4.00 -0.17 0.00 0.01 0.00 0.00 42.46 38.30 3ig4 s ILE 101 CO 0.00 -0.01 1.40 0.50 0.00 0.00 0.00 174.94 176.84 3ig4 h LYS 102 N 7.79 0.11 -5.95 2.79 3.64 -1.88 -3.41 116.57 119.65 3ig4 h LYS 102 Ca -0.26 -0.04 -0.61 0.00 -1.27 0.00 0.00 60.65 58.47 3ig4 h LYS 102 Cb 1.11 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.81 3ig4 h LYS 102 CO 0.81 0.45 0.50 0.21 -2.27 0.00 0.00 179.45 179.14 3ig4 s LYS 103 N -4.73 3.44 -0.23 1.90 2.20 -1.26 -4.97 119.74 116.09 3ig4 s LYS 103 Ca -0.15 -0.03 0.01 0.00 -0.36 0.00 0.00 55.97 55.44 3ig4 s LYS 103 Cb 0.04 -3.96 0.05 0.00 -1.51 0.00 0.00 37.83 32.45 3ig4 s LYS 103 CO 0.69 -1.24 -0.08 0.08 -0.36 0.00 0.00 175.35 174.43 3ig4 s VAL 104 N 3.63 1.71 0.00 4.02 1.01 -1.26 -1.24 120.40 128.27 3ig4 s VAL 104 Ca 0.33 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 61.06 3ig4 s VAL 104 Cb -0.11 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.38 3ig4 s VAL 104 CO 0.23 0.00 0.00 2.30 0.00 0.00 0.00 175.10 177.64 3ig4 n ILE 105 N 4.62 0.00 -4.22 2.22 -5.35 0.20 -4.97 119.36 111.86 3ig4 n ILE 105 Ca -0.13 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.06 3ig4 n ILE 105 Cb 0.44 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.25 3ig4 n ILE 105 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3ig4 s TYR 106 N -0.34 2.76 0.27 4.28 2.02 -1.26 -0.45 117.35 124.62 3ig4 s TYR 106 Ca 0.00 -0.15 -0.00 0.00 -0.37 0.00 0.00 57.07 56.54 3ig4 s TYR 106 Cb 0.00 -1.42 0.54 0.00 -0.40 0.00 0.00 41.96 40.69 3ig4 s TYR 106 CO 0.00 0.45 1.78 -0.07 -1.57 0.00 0.00 175.55 176.14 3ig4 h LEU 107 N 3.39 0.61 -0.25 -1.29 3.38 -1.26 -0.63 115.31 119.27 3ig4 h LEU 107 Ca -0.48 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3ig4 h LEU 107 Cb 1.18 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3ig4 h LEU 107 CO 0.54 0.27 0.04 -0.90 0.09 0.00 0.00 178.44 178.48 3ig4 n ASP 108 N -4.82 0.10 -1.02 -0.43 5.68 -1.26 0.19 116.55 114.99 3ig4 n ASP 108 Ca 0.18 0.51 0.09 0.00 -0.50 0.00 0.00 54.79 55.06 3ig4 n ASP 108 Cb 0.42 -0.52 0.24 0.00 -1.14 0.00 0.00 41.12 40.13 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 -1.60 3.51 -0.06 -1.12 3.41 -0.24 -4.59 113.62 112.92 3ig4 n SER 109 Ca -0.00 -2.04 -0.14 0.00 -0.26 0.00 0.00 58.87 56.43 3ig4 n SER 109 Cb 0.05 -0.37 -0.06 0.00 -0.26 0.00 0.00 64.21 63.56 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 3.17 0.63 -0.41 7.33 3.57 -0.35 -2.80 116.94 128.08 3ig4 h PHE 110 Ca 0.00 -0.21 -0.02 0.00 3.53 0.00 0.00 57.97 61.27 3ig4 h PHE 110 Cb 0.90 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 3ig4 h PHE 110 CO 0.38 0.91 0.18 0.93 -2.23 0.00 0.00 178.31 178.48 3ig4 h GLU 111 N 0.17 0.60 -0.65 1.11 5.08 -1.81 -2.45 114.58 116.64 3ig4 h GLU 111 Ca 0.02 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3ig4 h GLU 111 Cb 0.84 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 3ig4 h GLU 111 CO 0.06 0.54 0.43 -0.22 -1.00 0.00 0.00 179.01 178.82 3ig4 h LYS 112 N 0.52 0.84 -1.55 2.33 3.64 -1.86 -1.49 116.57 119.00 3ig4 h LYS 112 Ca 0.14 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3ig4 h LYS 112 Cb 0.15 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3ig4 h LYS 112 CO -0.01 0.56 0.00 2.41 -2.27 0.00 0.00 179.45 180.13 3ig4 n THR 113 N -4.64 0.00 0.00 1.00 -1.04 -0.92 -1.82 114.28 106.86 3ig4 n THR 113 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3ig4 n THR 113 Cb 0.03 -0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.18 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 0.85 0.00 -0.22 8.00 7.64 -0.56 -1.38 113.62 127.94 3ig4 n SER 115 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 3ig4 n SER 115 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 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 0.86 -0.07 6.43 -0.26 -1.65 -1.92 115.58 118.97 3ig4 h ASN 116 Ca 0.00 -0.18 0.01 0.00 -0.56 0.00 0.00 56.30 55.57 3ig4 h ASN 116 Cb 0.00 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.03 3ig4 h ASN 116 CO 0.00 0.80 0.00 0.40 -1.06 0.00 0.00 177.43 177.57 3ig4 h ILE 117 N 0.86 0.96 0.00 2.81 5.03 -1.50 -1.10 117.51 124.57 3ig4 h ILE 117 Ca 0.20 -0.01 0.00 0.00 -0.12 0.00 0.00 64.86 64.93 3ig4 h ILE 117 Cb 0.22 0.93 0.00 0.00 -3.03 0.00 0.00 36.82 34.94 3ig4 h ILE 117 CO -0.02 0.01 -0.57 0.49 -0.68 0.00 0.00 178.15 177.38 3ig4 n PHE 118 N -5.10 0.39 -0.01 1.37 3.72 -1.19 -3.24 117.46 113.40 3ig4 n PHE 118 Ca -0.06 0.11 -0.02 0.00 -0.05 0.00 0.00 57.45 57.44 3ig4 n PHE 118 Cb 0.05 -0.55 -0.01 0.00 -0.94 0.00 0.00 39.48 38.04 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 -1.93 0.00 -0.12 1.38 7.35 -0.73 -4.43 117.46 118.98 3ig4 n PHE 119 Ca 0.04 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.65 3ig4 n PHE 119 Cb 0.41 -0.11 0.00 0.00 0.35 0.00 0.00 39.48 40.13 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 -0.22 1.06 -0.09 -2.13 2.02 -1.38 -2.87 112.91 109.31 3ig4 h THR 120 Ca 0.00 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3ig4 h THR 120 Cb 0.22 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 3ig4 h THR 120 CO 0.00 0.09 0.00 -0.62 0.37 0.00 0.00 175.52 175.36 3ig4 n GLU 121 N -4.85 1.76 -3.90 6.66 1.02 -0.70 -4.96 120.64 115.66 3ig4 n GLU 121 Ca 0.00 -1.12 -0.26 0.00 -0.02 0.00 0.00 57.16 55.76 3ig4 n GLU 121 Cb 0.04 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 3ig4 n GLU 121 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3ig4 n ASN 122 N 0.35 -1.66 -4.74 1.62 5.03 -1.08 -4.91 115.26 109.86 3ig4 n ASN 122 Ca 0.18 -0.91 -0.41 0.00 0.87 0.00 0.00 54.58 54.31 3ig4 n ASN 122 Cb 0.37 -3.47 -0.04 0.00 -1.02 0.00 0.00 39.78 35.62 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 -3.69 3.76 -0.17 2.41 1.01 -1.20 -4.93 120.40 117.59 3ig4 s VAL 123 Ca 0.20 1.57 0.04 0.00 0.00 0.00 0.00 61.98 63.79 3ig4 s VAL 123 Cb -0.10 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 3ig4 s VAL 123 CO 0.86 0.29 0.17 0.29 0.00 0.00 0.00 175.10 176.71 3ig4 n LYS 124 N 2.13 4.71 -3.86 2.72 5.02 -1.26 -4.85 118.16 122.76 3ig4 n LYS 124 Ca 0.02 -0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 56.02 3ig4 n LYS 124 Cb 0.46 -0.77 -0.16 0.00 -0.02 0.00 0.00 35.03 34.54 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 -1.55 1.68 -0.10 2.13 2.46 -1.26 0.21 115.29 118.86 3ig4 s HIS 125 Ca 0.01 -1.18 0.02 0.00 0.47 0.00 0.00 55.06 54.38 3ig4 s HIS 125 Cb 0.03 -1.30 -0.02 0.00 -0.13 0.00 0.00 32.58 31.17 3ig4 s HIS 125 CO 0.18 -0.65 -0.16 -1.17 -2.47 0.00 0.00 174.74 170.47 3ig4 s LEU 126 N 1.64 2.58 -0.13 8.88 2.96 0.99 -1.47 118.68 134.13 3ig4 s LEU 126 Ca -0.01 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.52 3ig4 s LEU 126 Cb -0.17 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 3ig4 s LEU 126 CO -0.07 0.22 0.01 -0.31 -1.32 0.00 0.00 176.35 174.88 3ig4 s TYR 127 N 0.02 3.16 0.21 5.38 2.02 0.58 0.27 117.35 128.99 3ig4 s TYR 127 Ca -0.05 0.05 0.07 0.00 -0.37 0.00 0.00 57.07 56.76 3ig4 s TYR 127 Cb -0.15 -1.91 -0.05 0.00 -0.40 0.00 0.00 41.96 39.46 3ig4 s TYR 127 CO 0.05 0.27 -0.12 -0.51 -1.57 0.00 0.00 175.55 173.66 3ig4 s LEU 128 N -0.26 2.53 -0.99 -1.29 1.43 -0.36 -1.79 118.68 117.96 3ig4 s LEU 128 Ca 0.06 -1.05 -0.19 0.00 -1.03 0.00 0.00 54.13 51.92 3ig4 s LEU 128 Cb -0.12 -0.63 0.12 0.00 0.03 0.00 0.00 46.19 45.58 3ig4 s LEU 128 CO 0.02 -0.22 1.24 -0.62 0.23 0.00 0.00 176.35 177.00 3ig4 s ASP 129 N -3.32 6.66 -1.10 2.29 -1.08 -1.26 -0.26 116.67 118.60 3ig4 s ASP 129 Ca 0.23 -2.05 -0.12 0.00 -0.52 0.00 0.00 52.55 50.09 3ig4 s ASP 129 Cb 0.00 -2.43 0.23 0.00 -1.46 0.00 0.00 42.92 39.25 3ig4 s ASP 129 CO 0.07 -1.11 1.18 -0.76 0.52 0.00 0.00 175.17 175.07 3ig4 s LEU 130 N 3.02 5.87 -0.55 -1.34 1.43 -1.26 -4.90 118.68 120.95 3ig4 s LEU 130 Ca 0.37 -3.19 -0.22 0.00 -1.03 0.00 0.00 54.13 50.06 3ig4 s LEU 130 Cb -0.03 -2.29 0.05 0.00 0.03 0.00 0.00 46.19 43.95 3ig4 s LEU 130 CO -0.08 -0.53 0.81 -0.70 0.23 0.00 0.00 176.35 176.08 3ig4 s GLU 131 N 0.12 3.21 -0.30 1.70 2.12 -1.26 -4.86 118.70 119.42 3ig4 s GLU 131 Ca 0.33 -0.64 0.02 0.00 0.36 0.00 0.00 54.97 55.04 3ig4 s GLU 131 Cb -0.07 -4.10 0.09 0.00 0.26 0.00 0.00 34.13 30.30 3ig4 s GLU 131 CO -0.06 -1.43 0.03 0.00 -0.54 0.00 0.00 175.26 173.26 3ig4 n ARG 133 N 4.53 0.14 -4.74 0.00 1.74 -1.26 -4.86 116.66 112.21 3ig4 n ARG 133 Ca -0.03 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.80 3ig4 n ARG 133 Cb 0.43 -1.55 -0.16 0.00 -1.02 0.00 0.00 32.46 30.15 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 -3.09 1.77 0.27 5.56 0.41 -1.26 -5.02 118.70 117.33 3ig4 s GLU 134 Ca 0.07 -0.54 -0.02 0.00 -0.41 0.00 0.00 54.97 54.07 3ig4 s GLU 134 Cb 0.16 -1.50 0.37 0.00 -1.78 0.00 0.00 34.13 31.38 3ig4 s GLU 134 CO 0.77 0.16 1.82 2.35 -0.49 0.00 0.00 175.26 179.87 3ig4 h TRP 135 N 6.51 0.90 -0.60 1.61 2.91 -2.05 -2.70 115.95 122.53 3ig4 h TRP 135 Ca -0.31 -0.08 -0.31 0.00 1.13 0.00 0.00 58.89 59.32 3ig4 h TRP 135 Cb 1.18 -0.26 -0.19 0.00 -0.51 0.00 0.00 29.16 29.38 3ig4 h TRP 135 CO 0.45 0.75 0.20 1.63 -1.03 0.00 0.00 178.44 180.44 3ig4 n LYS 136 N -4.27 2.01 -0.62 2.65 5.02 -1.26 -5.02 118.16 116.68 3ig4 n LYS 136 Ca 0.04 -3.13 -0.31 0.00 -2.02 0.00 0.00 58.31 52.90 3ig4 n LYS 136 Cb 0.22 -1.96 0.20 0.00 -0.02 0.00 0.00 35.03 33.47 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 -1.12 -2.07 3.93 0.72 0.00 -1.02 -5.02 105.19 100.61 3ig4 n GLY 137 Ca 0.44 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.36 5.31 0.23 2.61 -1.32 -1.26 -5.04 115.64 113.81 3ig4 s THR 138 Ca 0.62 -0.41 -0.32 0.00 -1.21 0.00 0.00 61.69 60.37 3ig4 s THR 138 Cb -0.19 -3.68 -0.13 0.00 -1.51 0.00 0.00 72.50 66.99 3ig4 s THR 138 CO 0.65 0.00 1.49 1.21 -2.21 0.00 0.00 174.62 175.76 3ig4 n GLU 139 N -0.16 2.21 -4.16 7.08 2.13 -1.26 -5.01 120.64 121.47 3ig4 n GLU 139 Ca -0.05 0.79 -0.23 0.00 0.66 0.00 0.00 57.16 58.33 3ig4 n GLU 139 Cb 0.52 -2.50 -0.07 0.00 0.27 0.00 0.00 31.44 29.67 3ig4 n GLU 139 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3ig4 s THR 140 N 0.21 3.17 0.28 6.31 -4.23 -1.26 -4.97 115.64 115.16 3ig4 s THR 140 Ca 0.70 -1.75 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 3ig4 s THR 140 Cb -0.62 -2.96 0.28 0.00 1.34 0.00 0.00 72.50 70.54 3ig4 s THR 140 CO 0.46 -0.24 1.83 0.11 -0.54 0.00 0.00 174.62 176.24 3ig4 h LYS 141 N 1.64 0.95 0.31 3.99 1.57 -1.98 0.19 116.57 123.24 3ig4 h LYS 141 Ca -0.44 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.27 3ig4 h LYS 141 Cb 1.25 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3ig4 h LYS 141 CO 0.63 0.63 -0.15 1.15 -0.57 0.00 0.00 179.45 181.13 3ig4 h THR 142 N 0.98 0.71 -0.71 -0.16 2.02 -1.96 0.23 112.91 114.02 3ig4 h THR 142 Ca 0.50 -0.15 0.09 0.00 0.77 0.00 0.00 66.41 67.62 3ig4 h THR 142 Cb 0.51 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.66 3ig4 h THR 142 CO -0.27 0.03 0.47 -0.07 0.37 0.00 0.00 175.52 176.05 3ig4 h LEU 143 N -0.50 0.54 -0.53 2.58 3.38 -1.71 -0.56 115.31 118.51 3ig4 h LEU 143 Ca -0.04 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3ig4 h LEU 143 Cb 0.37 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3ig4 h LEU 143 CO 0.07 0.33 0.01 0.00 0.09 0.00 0.00 178.44 178.94 3ig4 h ALA 144 N 1.64 0.72 -0.71 1.53 0.00 -0.31 -1.20 119.26 120.92 3ig4 h ALA 144 Ca 0.32 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3ig4 h ALA 144 Cb 0.46 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3ig4 h ALA 144 CO -0.11 0.53 0.34 0.35 0.00 0.00 0.00 179.25 180.36 3ig4 h PHE 145 N 0.81 1.03 -0.38 0.00 3.04 0.17 -0.75 116.94 120.86 3ig4 h PHE 145 Ca 0.15 -0.05 -0.04 0.00 3.98 0.00 0.00 57.97 62.01 3ig4 h PHE 145 Cb 0.52 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.70 3ig4 h PHE 145 CO 0.04 0.77 0.09 0.00 -2.02 0.00 0.00 178.31 177.19 3ig4 h ALA 146 N 1.16 0.51 -0.47 2.41 0.00 -0.82 -0.45 119.26 121.60 3ig4 h ALA 146 Ca 0.24 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3ig4 h ALA 146 Cb 0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3ig4 h ALA 146 CO -0.03 0.19 0.22 -0.22 0.00 0.00 0.00 179.25 179.41 3ig4 h LYS 147 N 0.48 0.42 -0.56 0.00 3.64 -0.92 0.11 116.57 119.74 3ig4 h LYS 147 Ca 0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3ig4 h LYS 147 Cb 0.32 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 3ig4 h LYS 147 CO 0.00 0.28 0.35 1.25 -2.27 0.00 0.00 179.45 179.07 3ig4 h HIS 148 N 0.43 0.72 -0.50 1.91 2.76 -0.61 0.31 115.15 120.18 3ig4 h HIS 148 Ca 0.21 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 3ig4 h HIS 148 Cb 0.15 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 3ig4 h HIS 148 CO -0.12 0.47 0.32 0.28 -1.30 0.00 0.00 177.93 177.58 3ig4 h VAL 149 N 0.75 1.14 -0.04 5.26 2.07 -0.36 -1.05 116.25 124.02 3ig4 h VAL 149 Ca 0.20 -0.28 -0.14 0.00 0.82 0.00 0.00 66.70 67.30 3ig4 h VAL 149 Cb -0.05 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3ig4 h VAL 149 CO -0.04 0.14 -0.64 -0.09 0.02 0.00 0.00 177.57 176.96 3ig4 h ARG 150 N 0.68 0.14 -0.05 1.57 2.43 0.43 0.08 114.38 119.67 3ig4 h ARG 150 Ca 0.18 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3ig4 h ARG 150 Cb -0.05 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3ig4 h ARG 150 CO -0.04 0.73 -0.16 0.93 -1.51 0.00 0.00 179.97 179.92 3ig4 h GLU 151 N 0.10 0.20 0.07 0.20 5.08 -0.07 -3.26 114.58 116.90 3ig4 h GLU 151 Ca -0.01 -0.15 -0.26 0.00 -1.00 0.00 0.00 59.36 57.94 3ig4 h GLU 151 Cb 1.14 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3ig4 h GLU 151 CO 0.09 0.77 -1.28 1.96 -1.00 0.00 0.00 179.01 179.55 3ig4 h GLN 152 N -0.33 0.16 -2.09 2.33 1.08 -1.22 -3.39 115.11 111.65 3ig4 h GLN 152 Ca -0.01 -0.27 -0.56 0.00 -1.45 0.00 0.00 58.65 56.36 3ig4 h GLN 152 Cb 0.78 0.10 -0.40 0.00 -0.05 0.00 0.00 27.48 27.91 3ig4 h GLN 152 CO 0.03 1.06 -0.91 0.66 -0.95 0.00 0.00 178.83 178.72 3ig4 n TYR 153 N -3.41 1.46 0.24 2.96 4.01 0.01 -4.94 117.16 117.49 3ig4 n TYR 153 Ca -0.09 -3.83 0.13 0.00 -0.16 0.00 0.00 57.90 53.95 3ig4 n TYR 153 Cb 1.00 -0.44 0.67 0.00 -0.31 0.00 0.00 39.34 40.26 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 3.80 0.00 -0.00 -0.72 0.13 -1.70 -1.50 132.00 132.01 3ig4 h PRO 154 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3ig4 h PRO 154 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3ig4 h PRO 154 CO 0.62 0.00 -0.39 -2.39 -0.23 0.00 0.00 178.00 175.62 3ig4 n HIS 155 N -2.42 0.00 -2.60 1.56 1.44 -1.26 -4.86 115.22 107.08 3ig4 n HIS 155 Ca -0.01 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.28 3ig4 n HIS 155 Cb 0.09 -0.27 -0.03 0.00 0.12 0.00 0.00 29.99 29.89 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 -2.93 4.39 0.03 0.61 1.01 -0.56 -4.97 120.40 117.98 3ig4 s VAL 156 Ca 0.14 1.83 -0.26 0.00 0.00 0.00 0.00 61.98 63.69 3ig4 s VAL 156 Cb 0.18 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 3ig4 s VAL 156 CO 0.65 0.20 0.79 -0.89 0.00 0.00 0.00 175.10 175.85 3ig4 s THR 157 N 0.58 4.77 -0.19 3.92 2.01 0.13 -4.94 115.64 121.92 3ig4 s THR 157 Ca 0.52 1.67 -0.04 0.00 0.31 0.00 0.00 61.69 64.16 3ig4 s THR 157 Cb -0.25 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.10 3ig4 s THR 157 CO 0.30 0.32 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.88 3ig4 s ILE 158 N 0.17 3.53 0.26 1.82 1.01 -1.26 -0.01 121.20 126.73 3ig4 s ILE 158 Ca 0.40 -0.46 0.10 0.00 0.00 0.00 0.00 60.65 60.70 3ig4 s ILE 158 Cb -0.20 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 3ig4 s ILE 158 CO 0.23 0.45 -0.07 -0.83 0.00 0.00 0.00 174.94 174.72 3ig4 s GLY 159 N 1.04 1.73 -0.36 6.18 0.00 0.14 -4.97 107.32 111.08 3ig4 s GLY 159 Ca 0.01 -1.71 -0.13 0.00 0.00 0.00 0.00 44.72 42.89 3ig4 s GLY 159 CO 0.00 -1.78 0.24 0.21 0.00 0.00 0.00 173.10 171.78 3ig4 s ASN 160 N -3.56 5.99 0.00 1.64 3.84 -1.26 -1.23 114.94 120.36 3ig4 s ASN 160 Ca 0.30 -0.62 0.27 0.00 0.21 0.00 0.00 52.86 53.02 3ig4 s ASN 160 Cb -0.06 -2.12 0.88 0.00 -0.55 0.00 0.00 41.25 39.40 3ig4 s ASN 160 CO 0.18 -0.31 1.64 0.55 -2.79 0.00 0.00 177.10 176.38 3ig4 n VAL 161 N 5.10 0.00 -0.05 -5.21 3.14 0.64 -4.32 118.33 117.62 3ig4 n VAL 161 Ca -0.12 -0.16 -0.09 0.00 -2.96 0.00 0.00 64.34 61.01 3ig4 n VAL 161 Cb 0.49 0.40 -0.02 0.00 -1.06 0.00 0.00 33.84 33.64 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 1.53 -0.80 -0.59 1.45 3.20 -1.90 -2.31 116.97 117.55 3ig4 h TYR 162 Ca 0.00 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.96 3ig4 h TYR 162 Cb 0.49 0.39 -0.05 0.00 1.54 0.00 0.00 36.73 39.10 3ig4 h TYR 162 CO 0.00 -0.36 0.33 -1.35 -1.64 0.00 0.00 178.16 175.14 3ig4 h PRO 163 N -0.30 0.61 -0.58 1.82 0.11 -1.96 -1.68 132.00 130.02 3ig4 h PRO 163 Ca 0.13 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 66.32 3ig4 h PRO 163 Cb 0.51 -0.14 -0.09 0.00 0.11 0.00 0.00 31.00 31.40 3ig4 h PRO 163 CO -0.42 0.41 0.09 -0.91 -0.21 0.00 0.00 178.00 176.96 3ig4 h ASN 164 N 0.63 -0.07 -0.02 -2.05 -0.26 -1.68 -1.72 115.58 110.41 3ig4 h ASN 164 Ca 0.26 0.12 -0.25 0.00 -0.56 0.00 0.00 56.30 55.86 3ig4 h ASN 164 Cb 0.12 0.17 0.02 0.00 -1.06 0.00 0.00 38.32 37.57 3ig4 h ASN 164 CO -0.15 -0.02 -0.97 0.40 -1.06 0.00 0.00 177.43 175.63 3ig4 h ILE 165 N 0.22 1.29 -0.65 2.81 2.04 -0.97 -3.08 117.51 119.15 3ig4 h ILE 165 Ca 0.30 -2.19 0.10 0.00 1.00 0.00 0.00 64.86 64.07 3ig4 h ILE 165 Cb 0.45 2.34 -0.08 0.00 -0.74 0.00 0.00 36.82 38.79 3ig4 h ILE 165 CO -0.41 0.68 0.26 0.00 0.00 0.00 0.00 178.15 178.68 3ig4 h GLU 167 N 0.45 0.00 0.07 0.00 4.57 -1.24 -1.45 114.58 116.98 3ig4 h GLU 167 Ca 0.33 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.29 3ig4 h GLU 167 Cb 0.41 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.02 3ig4 h GLU 167 CO -0.31 0.09 -0.91 -0.07 -1.18 0.00 0.00 179.01 176.62 3ig4 h LEU 168 N 0.00 0.68 -0.41 1.64 4.07 -1.09 -3.28 115.31 116.92 3ig4 h LEU 168 Ca -0.00 -0.82 0.00 0.00 0.08 0.00 0.00 57.88 57.14 3ig4 h LEU 168 Cb 0.39 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.92 3ig4 h LEU 168 CO 0.01 1.42 0.00 0.54 -1.08 0.00 0.00 178.44 179.33 3ig4 n ARG 169 N -4.02 0.08 0.18 1.13 1.74 -0.54 -2.37 116.66 112.86 3ig4 n ARG 169 Ca -0.12 0.40 0.06 0.00 -0.77 0.00 0.00 57.85 57.41 3ig4 n ARG 169 Cb 0.83 -1.68 0.27 0.00 -1.02 0.00 0.00 32.46 30.86 3ig4 n ARG 169 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3ig4 h VAL 170 N 0.00 0.81 -3.64 1.55 2.07 -1.49 -3.40 116.25 112.15 3ig4 h VAL 170 Ca 0.00 -1.66 -0.70 0.00 0.82 0.00 0.00 66.70 65.17 3ig4 h VAL 170 Cb 0.21 2.05 -0.27 0.00 -1.52 0.00 0.00 31.29 31.76 3ig4 h VAL 170 CO 0.00 0.38 -0.58 -0.36 0.02 0.00 0.00 177.57 177.03 3ig4 s PHE 171 N -3.42 3.25 0.43 1.57 0.08 -1.00 -4.46 117.98 114.44 3ig4 s PHE 171 Ca 0.01 -1.26 -0.16 0.00 0.12 0.00 0.00 56.93 55.65 3ig4 s PHE 171 Cb 0.10 -2.33 -0.09 0.00 -0.57 0.00 0.00 43.02 40.14 3ig4 s PHE 171 CO 0.69 -0.70 0.88 0.15 -0.10 0.00 0.00 175.22 176.15 3ig4 s LYS 172 N 1.45 3.99 0.45 0.44 -0.14 0.03 -5.01 119.74 120.96 3ig4 s LYS 172 Ca -0.00 0.84 0.04 0.00 -1.36 0.00 0.00 55.97 55.49 3ig4 s LYS 172 Cb -0.19 -2.26 0.01 0.00 -1.68 0.00 0.00 37.83 33.71 3ig4 s LYS 172 CO 0.04 -0.08 0.63 0.95 -0.76 0.00 0.00 175.35 176.13 3ig4 s THR 173 N -2.33 3.28 0.32 2.17 -4.23 -1.26 -4.77 115.64 108.82 3ig4 s THR 173 Ca 0.57 -0.81 0.01 0.00 -1.18 0.00 0.00 61.69 60.28 3ig4 s THR 173 Cb -0.10 -3.16 0.27 0.00 1.34 0.00 0.00 72.50 70.85 3ig4 s THR 173 CO 0.24 -0.09 1.96 0.44 -0.54 0.00 0.00 174.62 176.63 3ig4 h ASP 174 N 0.47 0.84 -0.63 3.99 3.32 -1.99 -1.58 116.42 120.85 3ig4 h ASP 174 Ca -0.43 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 3ig4 h ASP 174 Cb 1.28 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 3ig4 h ASP 174 CO 0.51 0.58 0.36 -0.33 -1.72 0.00 0.00 179.24 178.64 3ig4 h GLU 175 N 0.97 0.86 -0.22 3.56 5.08 -2.00 -1.42 114.58 121.42 3ig4 h GLU 175 Ca 0.32 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3ig4 h GLU 175 Cb 0.04 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3ig4 h GLU 175 CO -0.09 0.64 0.10 0.93 -1.00 0.00 0.00 179.01 179.59 3ig4 h GLU 176 N 0.85 0.31 -0.13 2.33 5.08 -1.75 -2.52 114.58 118.76 3ig4 h GLU 176 Ca 0.22 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3ig4 h GLU 176 Cb 0.01 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3ig4 h GLU 176 CO -0.04 0.34 0.07 0.82 -1.00 0.00 0.00 179.01 179.20 3ig4 h ILE 177 N 0.21 1.05 -0.27 3.13 2.04 -1.04 -1.79 117.51 120.84 3ig4 h ILE 177 Ca 0.07 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 3ig4 h ILE 177 Cb 0.13 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3ig4 h ILE 177 CO -0.01 0.05 0.07 -0.33 0.00 0.00 0.00 178.15 177.93 3ig4 h GLU 178 N 0.18 0.43 -0.71 2.37 4.39 -0.84 -1.22 114.58 119.19 3ig4 h GLU 178 Ca 0.05 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 3ig4 h GLU 178 Cb 0.01 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 3ig4 h GLU 178 CO -0.01 0.52 0.38 0.82 -1.16 0.00 0.00 179.01 179.56 3ig4 h ILE 179 N 0.27 1.22 -0.58 3.13 2.04 -1.08 -0.63 117.51 121.87 3ig4 h ILE 179 Ca 0.08 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.42 3ig4 h ILE 179 Cb 0.28 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.62 3ig4 h ILE 179 CO 0.00 0.25 0.33 0.40 0.00 0.00 0.00 178.15 179.12 3ig4 h ILE 180 N 0.98 1.00 -0.82 -0.67 2.04 -1.29 -0.06 117.51 118.68 3ig4 h ILE 180 Ca 0.25 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.98 3ig4 h ILE 180 Cb 0.05 0.32 -0.07 0.00 -0.74 0.00 0.00 36.82 36.38 3ig4 h ILE 180 CO -0.04 0.11 0.48 0.11 0.00 0.00 0.00 178.15 178.82 3ig4 h LYS 181 N 0.62 0.81 -0.55 2.37 1.57 -0.35 0.27 116.57 121.32 3ig4 h LYS 181 Ca 0.25 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 3ig4 h LYS 181 Cb 0.11 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3ig4 h LYS 181 CO -0.15 0.53 0.11 0.93 -0.57 0.00 0.00 179.45 180.30 3ig4 h GLU 182 N 0.83 0.90 -0.79 3.15 5.08 -0.25 0.42 114.58 123.91 3ig4 h GLU 182 Ca 0.38 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3ig4 h GLU 182 Cb 0.30 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 3ig4 h GLU 182 CO -0.22 0.86 0.40 0.00 -1.00 0.00 0.00 179.01 179.04 3ig4 h ALA 183 N 1.00 1.02 -0.43 3.43 0.00 -0.30 -2.20 119.26 121.79 3ig4 h ALA 183 Ca 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3ig4 h ALA 183 Cb 0.38 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3ig4 h ALA 183 CO 0.01 0.57 0.16 0.82 0.00 0.00 0.00 179.25 180.80 3ig4 h ILE 184 N 1.12 1.21 -0.47 0.00 2.04 -0.66 -2.33 117.51 118.40 3ig4 h ILE 184 Ca 0.27 -0.66 0.09 0.00 1.00 0.00 0.00 64.86 65.56 3ig4 h ILE 184 Cb 0.09 0.84 -0.08 0.00 -0.74 0.00 0.00 36.82 36.93 3ig4 h ILE 184 CO -0.04 0.24 -0.03 0.00 0.00 0.00 0.00 178.15 178.33 3ig4 h ALA 185 N 1.00 0.42 -0.35 1.87 0.00 -0.47 0.04 119.26 121.78 3ig4 h ALA 185 Ca 0.14 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 3ig4 h ALA 185 Cb 0.22 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3ig4 h ALA 185 CO -0.01 -0.40 -0.21 0.28 0.00 0.00 0.00 179.25 178.91 3ig4 h VAL 186 N 0.09 1.27 -0.84 0.00 2.07 -1.31 -2.08 116.25 115.43 3ig4 h VAL 186 Ca 0.24 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 3ig4 h VAL 186 Cb 0.36 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 3ig4 h VAL 186 CO -0.42 0.42 0.45 0.74 0.02 0.00 0.00 177.57 178.78 3ig4 h THR 187 N 0.59 1.25 0.10 2.57 2.02 -0.66 0.45 112.91 119.23 3ig4 h THR 187 Ca 0.09 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.63 3ig4 h THR 187 Cb 0.68 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3ig4 h THR 187 CO 0.05 0.28 -0.10 0.50 0.37 0.00 0.00 175.52 176.63 3ig4 h LYS 188 N 1.18 -0.21 -0.67 6.66 3.64 -0.67 0.05 116.57 126.55 3ig4 h LYS 188 Ca 0.30 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.82 3ig4 h LYS 188 Cb 0.05 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 31.82 3ig4 h LYS 188 CO -0.05 -0.14 0.19 -0.44 -2.27 0.00 0.00 179.45 176.75 3ig4 h ASP 189 N -0.22 0.09 -0.82 4.20 3.32 -0.59 0.11 116.42 122.51 3ig4 h ASP 189 Ca 0.00 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3ig4 h ASP 189 Cb 0.21 0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 3ig4 h ASP 189 CO -0.03 0.03 0.49 1.23 -1.72 0.00 0.00 179.24 179.25 3ig4 h GLY 190 N 0.32 1.19 0.73 2.75 0.00 -0.51 -1.09 103.07 106.46 3ig4 h GLY 190 Ca 0.36 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 3ig4 h GLY 190 CO -0.42 0.48 -0.06 -2.22 0.00 0.00 0.00 176.54 174.32 3ig4 h ILE 191 N 1.13 1.01 -0.43 2.60 2.04 0.81 -1.82 117.51 122.84 3ig4 h ILE 191 Ca 0.29 -0.57 0.10 0.00 1.00 0.00 0.00 64.86 65.68 3ig4 h ILE 191 Cb -0.04 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3ig4 h ILE 191 CO -0.05 0.14 0.30 1.88 0.00 0.00 0.00 178.15 180.41 3ig4 h TYR 192 N -0.44 0.12 -0.30 1.37 0.05 -0.72 0.13 116.97 117.18 3ig4 h TYR 192 Ca -0.02 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.71 3ig4 h TYR 192 Cb 0.36 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 3ig4 h TYR 192 CO 0.01 0.06 -0.04 -0.97 -1.05 0.00 0.00 178.16 176.17 3ig4 h ASN 193 N 0.11 0.55 -0.34 3.88 -0.00 -0.78 -0.55 115.58 118.46 3ig4 h ASN 193 Ca 0.20 -0.34 0.04 0.00 -0.00 0.00 0.00 56.30 56.20 3ig4 h ASN 193 Cb 0.65 -0.15 -0.04 0.00 -0.00 0.00 0.00 38.32 38.79 3ig4 h ASN 193 CO -0.02 0.76 0.12 0.58 -0.00 0.00 0.00 177.43 178.87 3ig4 h VAL 194 N 0.33 0.90 -0.96 2.57 2.07 -0.20 -2.55 116.25 118.40 3ig4 h VAL 194 Ca 0.08 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.59 3ig4 h VAL 194 Cb 0.51 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 3ig4 h VAL 194 CO 0.02 0.05 0.61 -0.07 0.02 0.00 0.00 177.57 178.20 3ig4 h LEU 195 N 0.26 0.95 -0.03 2.57 3.38 -0.48 -0.08 115.31 121.88 3ig4 h LEU 195 Ca 0.15 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3ig4 h LEU 195 Cb 0.13 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3ig4 h LEU 195 CO -0.16 0.58 -0.04 2.29 0.09 0.00 0.00 178.44 181.20 3ig4 n LYS 196 N -4.57 0.27 0.00 1.13 2.85 -0.24 -3.66 118.16 113.94 3ig4 n LYS 196 Ca 0.16 -0.03 0.02 0.00 -1.05 0.00 0.00 58.31 57.41 3ig4 n LYS 196 Cb 0.23 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.09 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 -1.34 0.00 -2.35 5.58 8.25 -0.69 -3.64 115.22 121.03 3ig4 n HIS 197 Ca 0.11 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.18 3ig4 n HIS 197 Cb 0.29 0.00 -0.03 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 -1.20 3.25 0.23 -1.41 0.00 -0.13 -5.02 121.76 117.49 3ig4 s ALA 198 Ca 0.02 0.95 -0.14 0.00 0.00 0.00 0.00 51.96 52.79 3ig4 s ALA 198 Cb 0.03 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3ig4 s ALA 198 CO 0.14 -0.41 0.50 -1.59 0.00 0.00 0.00 175.76 174.41 3ig4 s LYS 199 N -2.04 1.50 0.85 0.00 -2.85 -1.26 -4.86 119.74 111.09 3ig4 s LYS 199 Ca 0.53 -1.13 -0.12 0.00 -1.00 0.00 0.00 55.97 54.25 3ig4 s LYS 199 Cb -0.31 0.49 0.10 0.00 -2.06 0.00 0.00 37.83 36.05 3ig4 s LYS 199 CO 0.40 -0.63 1.10 0.00 0.10 0.00 0.00 175.35 176.32 3ig4 s ALA 200 N -3.97 1.93 -0.65 0.59 0.00 -1.26 -4.91 121.76 113.49 3ig4 s ALA 200 Ca 0.18 -0.26 -0.06 0.00 0.00 0.00 0.00 51.96 51.81 3ig4 s ALA 200 Cb -0.01 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 20.01 3ig4 s ALA 200 CO 0.05 -2.04 0.66 -0.25 0.00 0.00 0.00 175.76 174.19 3ig4 n ASP 201 N -3.64 -7.49 -0.07 0.00 8.00 -0.33 -4.98 116.55 108.05 3ig4 n ASP 201 Ca 0.07 0.01 -0.14 0.00 0.71 0.00 0.00 54.79 55.44 3ig4 n ASP 201 Cb 0.57 -4.86 -0.06 0.00 -0.02 0.00 0.00 41.12 36.75 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 -1.38 0.33 0.31 -1.24 1.02 -0.38 -4.99 120.64 114.31 3ig4 n GLU 204 Ca 0.00 0.12 0.20 0.00 -0.02 0.00 0.00 57.16 57.46 3ig4 n GLU 204 Cb 0.51 -1.12 0.99 0.00 -0.02 0.00 0.00 31.44 31.81 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 -0.36 0.00 -0.25 -0.32 -0.00 -1.35 -1.24 116.97 113.46 3ig4 h TYR 205 Ca -0.36 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.31 3ig4 h TYR 205 Cb 1.39 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.10 3ig4 h TYR 205 CO -0.03 0.01 -0.12 0.93 -0.00 0.00 0.00 178.16 178.95 3ig4 h GLU 206 N 0.00 0.41 0.14 0.10 5.08 -1.96 -1.61 114.58 116.73 3ig4 h GLU 206 Ca -0.00 -0.11 -0.28 0.00 -1.00 0.00 0.00 59.36 57.97 3ig4 h GLU 206 Cb 0.20 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.41 3ig4 h GLU 206 CO 0.00 0.53 -1.31 -0.07 -1.00 0.00 0.00 179.01 177.17 3ig4 h LEU 207 N 0.38 0.45 -1.18 1.33 3.38 -1.67 -3.20 115.31 114.81 3ig4 h LEU 207 Ca 0.07 -0.50 0.02 0.00 0.09 0.00 0.00 57.88 57.56 3ig4 h LEU 207 Cb 0.44 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3ig4 h LEU 207 CO 0.03 1.40 0.56 -0.08 0.09 0.00 0.00 178.44 180.43 3ig4 h GLU 208 N 0.08 1.08 -0.72 1.13 4.81 -1.26 -2.15 114.58 117.55 3ig4 h GLU 208 Ca -0.16 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.07 3ig4 h GLU 208 Cb 2.00 -0.24 -0.06 0.00 0.63 0.00 0.00 28.75 31.07 3ig4 h GLU 208 CO 0.20 0.72 0.40 0.00 -0.73 0.00 0.00 179.01 179.60 3ig4 h ALA 209 N 1.48 0.97 -0.16 2.92 0.00 -1.30 -0.12 119.26 123.06 3ig4 h ALA 209 Ca 0.32 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 3ig4 h ALA 209 Cb -0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ig4 h ALA 209 CO -0.08 0.07 -0.21 1.96 0.00 0.00 0.00 179.25 180.99 3ig4 h GLN 210 N 0.72 0.27 -0.02 0.00 1.08 -1.40 -0.16 115.11 115.60 3ig4 h GLN 210 Ca 0.33 -0.08 -0.05 0.00 -1.45 0.00 0.00 58.65 57.39 3ig4 h GLN 210 Cb 0.23 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 3ig4 h GLN 210 CO -0.20 0.48 -0.19 0.35 -0.95 0.00 0.00 178.83 178.32 3ig4 h PHE 211 N 0.25 0.23 -0.62 2.96 3.57 -0.97 -2.97 116.94 119.39 3ig4 h PHE 211 Ca 0.04 -0.11 0.10 0.00 3.53 0.00 0.00 57.97 61.53 3ig4 h PHE 211 Cb 0.52 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.16 3ig4 h PHE 211 CO 0.01 0.85 0.22 -0.44 -2.23 0.00 0.00 178.31 176.72 3ig4 h ASP 212 N -0.46 0.20 -0.65 0.41 3.32 -0.94 -2.64 116.42 115.66 3ig4 h ASP 212 Ca -0.02 0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.16 3ig4 h ASP 212 Cb 0.89 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.47 3ig4 h ASP 212 CO 0.04 0.11 0.38 0.15 -1.72 0.00 0.00 179.24 178.20 3ig4 h PHE 213 N 0.39 0.70 -0.51 4.55 3.57 -1.01 0.92 116.94 125.55 3ig4 h PHE 213 Ca 0.32 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 3ig4 h PHE 213 Cb 0.42 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 3ig4 h PHE 213 CO -0.18 0.37 0.29 1.15 -2.23 0.00 0.00 178.31 177.70 3ig4 h THR 214 N 0.72 1.17 -0.01 4.41 2.02 -1.31 -1.73 112.91 118.18 3ig4 h THR 214 Ca 0.28 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 3ig4 h THR 214 Cb 0.11 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3ig4 h THR 214 CO -0.15 0.18 0.00 -0.07 0.37 0.00 0.00 175.52 175.85 3ig4 h LEU 215 N 0.68 0.01 -0.59 2.58 4.07 -1.04 -2.87 115.31 118.14 3ig4 h LEU 215 Ca 0.18 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 3ig4 h LEU 215 Cb 0.03 -0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.74 3ig4 h LEU 215 CO -0.03 0.24 0.31 0.50 -1.08 0.00 0.00 178.44 178.38 3ig4 h LYS 216 N -0.22 0.83 0.00 1.13 1.63 -0.80 -1.83 116.57 117.32 3ig4 h LYS 216 Ca 0.00 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 3ig4 h LYS 216 Cb 0.24 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 3ig4 h LYS 216 CO 0.00 0.65 0.00 -1.13 -3.45 0.00 0.00 179.45 175.52 3ig4 n SER 217 N -4.56 0.00 -1.29 4.20 3.41 -0.66 -1.16 113.62 113.56 3ig4 n SER 217 Ca 0.04 0.20 0.10 0.00 -0.26 0.00 0.00 58.87 58.95 3ig4 n SER 217 Cb 0.10 -0.38 0.30 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 -1.38 3.75 0.00 4.04 7.64 -0.88 -4.94 113.62 121.84 3ig4 n SER 218 Ca 0.09 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.89 3ig4 n SER 218 Cb 0.23 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 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 1.48 1.57 3.62 0.23 0.00 -0.31 -5.00 105.19 106.79 3ig4 n GLY 219 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.06 3.45 0.10 -0.61 1.09 -0.74 -4.88 121.20 116.55 3ig4 s ILE 220 Ca 0.00 0.50 -0.12 0.00 -1.10 0.00 0.00 60.65 59.93 3ig4 s ILE 220 Cb 0.00 -3.49 -0.18 0.00 -1.06 0.00 0.00 42.46 37.72 3ig4 s ILE 220 CO 0.00 -0.23 1.27 0.11 -0.10 0.00 0.00 174.94 175.98 3ig4 h LYS 221 N 11.89 0.73 -5.50 2.79 1.57 -1.87 -3.38 116.57 122.81 3ig4 h LYS 221 Ca -0.37 -0.67 -0.44 0.00 -1.87 0.00 0.00 60.65 57.30 3ig4 h LYS 221 Cb 1.18 0.16 -0.14 0.00 0.08 0.00 0.00 32.23 33.51 3ig4 h LYS 221 CO 0.99 1.27 -0.73 -1.01 -0.57 0.00 0.00 179.45 179.40 3ig4 s HIS 222 N -3.56 1.67 0.20 -1.35 3.76 -1.26 -5.06 115.29 109.69 3ig4 s HIS 222 Ca -0.10 -0.61 -0.05 0.00 -0.15 0.00 0.00 55.06 54.16 3ig4 s HIS 222 Cb 0.08 -0.80 -0.06 0.00 1.11 0.00 0.00 32.58 32.92 3ig4 s HIS 222 CO 0.91 0.32 0.45 -1.01 -0.85 0.00 0.00 174.74 174.56 3ig4 s HIS 223 N -3.02 3.47 0.25 1.40 3.76 -1.26 -2.11 115.29 117.78 3ig4 s HIS 223 Ca 0.22 0.59 -0.03 0.00 -0.15 0.00 0.00 55.06 55.70 3ig4 s HIS 223 Cb -0.00 -2.05 0.43 0.00 1.11 0.00 0.00 32.58 32.07 3ig4 s HIS 223 CO 0.06 0.33 1.83 0.00 -0.85 0.00 0.00 174.74 176.11 3ig4 h ALA 224 N 2.34 1.28 -2.51 -1.40 0.00 -1.15 -3.43 119.26 114.38 3ig4 h ALA 224 Ca -0.47 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.48 3ig4 h ALA 224 Cb 1.18 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3ig4 h ALA 224 CO 0.70 0.18 0.25 1.97 0.00 0.00 0.00 179.25 182.34 3ig4 n PHE 225 N -4.68 -1.64 -2.30 0.00 -1.74 -1.26 -4.72 117.46 101.12 3ig4 n PHE 225 Ca 0.15 -1.09 -0.43 0.00 -0.56 0.00 0.00 57.45 55.52 3ig4 n PHE 225 Cb 0.28 0.54 -0.02 0.00 1.52 0.00 0.00 39.48 41.80 3ig4 n PHE 225 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 3ig4 s ASN 226 N -2.43 6.66 0.10 5.98 0.02 -1.26 -4.81 114.94 119.19 3ig4 s ASN 226 Ca 0.12 1.54 -0.36 0.00 -1.02 0.00 0.00 52.86 53.14 3ig4 s ASN 226 Cb -0.03 -2.54 -0.17 0.00 0.02 0.00 0.00 41.25 38.54 3ig4 s ASN 226 CO 0.06 -1.03 1.31 0.41 0.02 0.00 0.00 177.10 177.87 3ig4 n THR 227 N 5.98 0.13 -3.73 1.60 -1.04 -1.26 -4.90 114.28 111.07 3ig4 n THR 227 Ca 0.16 -0.03 -0.37 0.00 -2.04 0.00 0.00 64.05 61.77 3ig4 n THR 227 Cb 0.45 -0.80 -0.11 0.00 -1.82 0.00 0.00 70.33 68.05 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 0.37 4.96 -0.51 12.58 1.01 0.79 -4.79 121.20 135.62 3ig4 s ILE 228 Ca 0.83 0.04 0.04 0.00 0.00 0.00 0.00 60.65 61.56 3ig4 s ILE 228 Cb -0.95 -3.32 0.16 0.00 0.01 0.00 0.00 42.46 38.37 3ig4 s ILE 228 CO 0.48 0.34 0.36 -0.22 0.00 0.00 0.00 174.94 175.90 3ig4 s LEU 229 N 1.30 2.72 -0.35 2.97 0.20 -1.26 -1.85 118.68 122.41 3ig4 s LEU 229 Ca 0.06 -3.19 -0.06 0.00 0.69 0.00 0.00 54.13 51.63 3ig4 s LEU 229 Cb -0.14 -0.93 0.05 0.00 -0.43 0.00 0.00 46.19 44.74 3ig4 s LEU 229 CO 0.06 -0.17 0.13 0.00 -0.29 0.00 0.00 176.35 176.07 3ig4 s ALA 230 N -0.31 3.07 0.20 5.97 0.00 -0.60 -4.63 121.76 125.45 3ig4 s ALA 230 Ca 0.27 -1.86 -0.02 0.00 0.00 0.00 0.00 51.96 50.35 3ig4 s ALA 230 Cb -0.06 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 3ig4 s ALA 230 CO -0.14 -1.41 0.40 -1.54 0.00 0.00 0.00 175.76 173.07 3ig4 s SER 231 N 1.53 6.40 0.41 0.00 1.04 -1.26 -1.67 113.70 120.16 3ig4 s SER 231 Ca -0.01 0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.87 3ig4 s SER 231 Cb -0.20 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 63.89 3ig4 s SER 231 CO 0.02 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.81 3ig4 n GLY 232 N -0.55 2.65 0.24 7.32 0.00 -0.79 -1.10 105.19 112.96 3ig4 n GLY 232 Ca -0.04 0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.78 1.61 3.64 -1.93 -2.72 116.57 116.39 3ig4 h LYS 233 Ca 0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 3ig4 h LYS 233 Cb 0.00 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 3ig4 h LYS 233 CO 0.00 0.19 0.51 -0.91 -2.27 0.00 0.00 179.45 176.97 3ig4 h ASN 234 N 0.00 0.74 0.00 4.20 -0.26 -1.43 -1.57 115.58 117.26 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 0.43 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.54 3ig4 h ASN 234 CO 0.02 0.48 0.04 0.00 -1.06 0.00 0.00 177.43 176.91 3ig4 n ALA 235 N -2.43 0.94 0.19 -0.83 0.00 -1.03 -0.42 120.51 116.93 3ig4 n ALA 235 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.63 3ig4 n ALA 235 Cb 0.22 -0.92 0.30 0.00 0.00 0.00 0.00 19.45 19.05 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 0.63 -3.44 0.00 2.02 -1.48 -3.43 112.91 107.20 3ig4 h THR 236 Ca 0.00 -1.47 -0.60 0.00 0.77 0.00 0.00 66.41 65.11 3ig4 h THR 236 Cb 0.08 1.99 -0.10 0.00 -1.74 0.00 0.00 68.15 68.37 3ig4 h THR 236 CO 0.00 0.30 0.15 -0.69 0.37 0.00 0.00 175.52 175.64 3ig4 s VAL 237 N -3.41 5.00 0.16 3.16 1.01 0.44 -4.97 120.40 121.79 3ig4 s VAL 237 Ca 0.02 1.16 -0.16 0.00 0.00 0.00 0.00 61.98 63.01 3ig4 s VAL 237 Cb 0.09 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.57 3ig4 s VAL 237 CO 0.67 0.06 1.73 -0.07 0.00 0.00 0.00 175.10 177.50 3ig4 h LEU 238 N 8.59 0.04 -3.40 3.92 4.07 -1.86 -2.73 115.31 123.94 3ig4 h LEU 238 Ca -0.29 0.06 -0.22 0.00 0.08 0.00 0.00 57.88 57.51 3ig4 h LEU 238 Cb 1.13 0.07 -0.13 0.00 1.08 0.00 0.00 40.66 42.81 3ig4 h LEU 238 CO 0.78 0.06 -0.08 1.41 -1.08 0.00 0.00 178.44 179.53 3ig4 n HIS 239 N -5.07 1.26 -1.69 1.13 8.25 -1.26 -5.03 115.22 112.80 3ig4 n HIS 239 Ca 0.02 -1.69 -0.62 0.00 -0.26 0.00 0.00 57.72 55.17 3ig4 n HIS 239 Cb 0.16 -0.53 -0.08 0.00 1.12 0.00 0.00 29.99 30.66 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 -1.11 1.73 0.00 4.41 9.36 -1.03 -4.85 117.16 125.67 3ig4 n TYR 240 Ca 0.35 0.86 0.00 0.00 3.32 0.00 0.00 57.90 62.43 3ig4 n TYR 240 Cb 1.04 -2.31 0.00 0.00 -0.63 0.00 0.00 39.34 37.44 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 4.12 4.40 -0.25 2.98 1.02 -1.26 -4.33 120.64 127.31 3ig4 n GLU 241 Ca 0.27 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.47 3ig4 n GLU 241 Cb 0.05 -0.51 0.18 0.00 -0.02 0.00 0.00 31.44 31.15 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 -0.10 -3.75 1.62 3.32 -1.92 -3.45 116.42 112.13 3ig4 h ASP 242 Ca 0.00 0.16 -0.26 0.00 0.02 0.00 0.00 57.03 56.96 3ig4 h ASP 242 Cb 0.00 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3ig4 h ASP 242 CO 0.00 -0.09 -0.33 0.59 -1.72 0.00 0.00 179.24 177.69 3ig4 n ASN 243 N -5.22 -4.03 -0.98 6.45 3.02 -1.26 -4.83 115.26 108.41 3ig4 n ASN 243 Ca 0.14 0.18 0.03 0.00 -0.03 0.00 0.00 54.58 54.90 3ig4 n ASN 243 Cb 0.48 -3.42 0.15 0.00 -0.61 0.00 0.00 39.78 36.37 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 -1.81 1.82 -4.73 6.41 5.68 -1.26 -0.99 116.55 121.68 3ig4 n ASP 244 Ca -0.15 -3.43 -0.25 0.00 -0.50 0.00 0.00 54.79 50.46 3ig4 n ASP 244 Cb 0.61 -0.46 -0.06 0.00 -1.14 0.00 0.00 41.12 40.07 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 -2.58 3.36 0.21 2.12 0.00 -1.26 -4.89 121.76 118.72 3ig4 s ALA 245 Ca 0.38 -1.41 -0.30 0.00 0.00 0.00 0.00 51.96 50.63 3ig4 s ALA 245 Cb 0.38 -1.10 -0.08 0.00 0.00 0.00 0.00 23.12 22.31 3ig4 s ALA 245 CO -0.08 0.39 0.94 -1.14 0.00 0.00 0.00 175.76 175.87 3ig4 s GLN 246 N -3.34 4.82 -0.34 0.00 0.74 -1.26 -1.25 119.66 119.03 3ig4 s GLN 246 Ca 0.30 1.48 -0.27 0.00 0.05 0.00 0.00 55.36 56.92 3ig4 s GLN 246 Cb -0.09 -3.30 0.01 0.00 1.10 0.00 0.00 33.01 30.74 3ig4 s GLN 246 CO 0.21 0.45 1.00 0.42 -0.55 0.00 0.00 175.29 176.82 3ig4 s ILE 247 N -0.90 4.55 0.27 -2.34 1.01 -1.26 -4.91 121.20 117.62 3ig4 s ILE 247 Ca 0.42 1.50 -0.29 0.00 0.00 0.00 0.00 60.65 62.28 3ig4 s ILE 247 Cb -0.25 -4.37 -0.09 0.00 0.01 0.00 0.00 42.46 37.76 3ig4 s ILE 247 CO 0.31 -0.49 0.99 -1.10 0.00 0.00 0.00 174.94 174.65 3ig4 s GLN 248 N 3.55 4.74 0.24 2.79 -1.52 -1.26 -1.18 119.66 127.02 3ig4 s GLN 248 Ca 0.42 1.55 -0.31 0.00 -1.95 0.00 0.00 55.36 55.07 3ig4 s GLN 248 Cb -0.12 -3.17 -0.13 0.00 -0.22 0.00 0.00 33.01 29.37 3ig4 s GLN 248 CO 0.17 0.39 1.51 -1.71 -0.25 0.00 0.00 175.29 175.39 3ig4 n ASN 249 N 1.24 3.20 0.00 5.90 2.85 -1.26 -0.81 115.26 126.38 3ig4 n ASN 249 Ca -0.01 1.13 0.00 0.00 -0.11 0.00 0.00 54.58 55.59 3ig4 n ASN 249 Cb 0.47 -1.48 0.00 0.00 1.24 0.00 0.00 39.78 40.01 3ig4 n ASN 249 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3ig4 n GLY 250 N 2.50 2.40 3.76 8.20 0.00 -1.26 -5.04 105.19 115.74 3ig4 n GLY 250 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.59 5.72 0.02 1.61 1.01 0.01 -4.88 116.67 118.58 3ig4 s ASP 251 Ca 0.00 2.71 -0.12 0.00 0.71 0.00 0.00 52.55 55.86 3ig4 s ASP 251 Cb 0.00 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.24 3ig4 s ASP 251 CO 0.00 -1.26 0.37 -0.22 0.21 0.00 0.00 175.17 174.27 3ig4 s LEU 252 N -3.07 4.41 -0.18 1.23 2.96 -1.26 -1.15 118.68 121.62 3ig4 s LEU 252 Ca 0.65 0.82 -0.03 0.00 -0.22 0.00 0.00 54.13 55.36 3ig4 s LEU 252 Cb -0.39 -2.69 -0.01 0.00 0.50 0.00 0.00 46.19 43.59 3ig4 s LEU 252 CO 0.48 0.27 -0.07 -0.69 -1.32 0.00 0.00 176.35 175.02 3ig4 s VAL 253 N -1.21 3.39 -0.31 1.68 1.01 0.24 -1.89 120.40 123.32 3ig4 s VAL 253 Ca 0.27 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 3ig4 s VAL 253 Cb -0.15 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 3ig4 s VAL 253 CO 0.14 0.47 0.21 -0.22 0.00 0.00 0.00 175.10 175.70 3ig4 s LEU 254 N 0.85 4.24 -0.20 3.92 0.20 -0.67 -1.10 118.68 125.91 3ig4 s LEU 254 Ca -0.02 -0.23 -0.08 0.00 0.69 0.00 0.00 54.13 54.48 3ig4 s LEU 254 Cb -0.15 -2.12 -0.04 0.00 -0.43 0.00 0.00 46.19 43.45 3ig4 s LEU 254 CO 0.01 -0.14 0.09 -0.76 -0.29 0.00 0.00 176.35 175.26 3ig4 s LEU 255 N 1.73 3.89 -0.19 -0.68 1.43 0.24 -1.55 118.68 123.54 3ig4 s LEU 255 Ca 0.06 0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 3ig4 s LEU 255 Cb -0.17 -2.01 0.06 0.00 0.03 0.00 0.00 46.19 44.10 3ig4 s LEU 255 CO 0.10 0.13 0.00 -0.62 0.23 0.00 0.00 176.35 176.19 3ig4 s ASP 256 N 0.66 3.00 0.28 2.29 -1.08 -0.77 0.66 116.67 121.71 3ig4 s ASP 256 Ca 0.05 -0.82 -0.16 0.00 -0.52 0.00 0.00 52.55 51.10 3ig4 s ASP 256 Cb -0.13 -0.75 0.06 0.00 -1.46 0.00 0.00 42.92 40.64 3ig4 s ASP 256 CO 0.01 -0.27 0.79 0.00 0.52 0.00 0.00 175.17 176.22 3ig4 n LEU 257 N 4.96 0.00 0.00 -1.34 -0.00 -0.32 -0.15 117.00 120.15 3ig4 n LEU 257 Ca -0.10 -1.93 0.00 0.00 -0.00 0.00 0.00 56.01 53.99 3ig4 n LEU 257 Cb 0.47 3.08 0.00 0.00 -0.00 0.00 0.00 43.42 46.96 3ig4 n LEU 257 CO 0.14 -0.64 0.00 0.61 -0.00 0.00 0.00 177.39 177.50 3ig4 n GLY 258 N -0.54 1.64 3.91 1.47 0.00 -1.26 -0.70 105.19 109.71 3ig4 n GLY 258 Ca -0.06 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 3ig4 n GLY 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ig4 s ALA 259 N -1.22 3.40 -0.11 4.61 0.00 -1.26 -0.82 121.76 126.35 3ig4 s ALA 259 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.44 3ig4 s ALA 259 Cb 0.00 -2.58 0.02 0.00 0.00 0.00 0.00 23.12 20.56 3ig4 s ALA 259 CO 0.00 -0.40 -0.14 -1.14 0.00 0.00 0.00 175.76 174.08 3ig4 s GLN 260 N -4.77 2.15 -0.16 0.00 0.74 -0.90 -1.96 119.66 114.77 3ig4 s GLN 260 Ca 0.48 -0.53 -0.00 0.00 0.05 0.00 0.00 55.36 55.36 3ig4 s GLN 260 Cb -0.10 -1.87 -0.00 0.00 1.10 0.00 0.00 33.01 32.13 3ig4 s GLN 260 CO 0.45 -0.10 -0.13 0.21 -0.55 0.00 0.00 175.29 175.17 3ig4 s LYS 261 N 1.10 3.27 -1.62 1.67 2.47 -0.25 -4.37 119.74 122.01 3ig4 s LYS 261 Ca -0.04 -0.72 -0.11 0.00 -1.56 0.00 0.00 55.97 53.54 3ig4 s LYS 261 Cb -0.14 -2.68 0.10 0.00 -1.46 0.00 0.00 37.83 33.64 3ig4 s LYS 261 CO -0.03 0.02 0.50 -0.25 0.16 0.00 0.00 175.35 175.74 3ig4 n ASP 262 N 4.07 -1.38 0.00 1.43 8.00 -1.26 -0.74 116.55 126.67 3ig4 n ASP 262 Ca -0.19 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.21 3ig4 n ASP 262 Cb 0.52 -2.42 0.00 0.00 -0.02 0.00 0.00 41.12 39.20 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 -4.38 0.00 -3.23 1.24 4.01 -1.26 -5.00 117.16 108.54 3ig4 n TYR 263 Ca -0.11 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.29 3ig4 n TYR 263 Cb 0.58 -0.12 -0.06 0.00 -0.31 0.00 0.00 39.34 39.43 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 -2.63 3.55 -0.07 -0.72 1.51 0.08 -4.42 117.35 114.66 3ig4 s TYR 264 Ca 0.00 1.19 0.02 0.00 -1.01 0.00 0.00 57.07 57.27 3ig4 s TYR 264 Cb 0.00 -2.48 -0.03 0.00 -0.11 0.00 0.00 41.96 39.35 3ig4 s TYR 264 CO 0.00 0.31 -0.11 -0.80 -1.11 0.00 0.00 175.55 173.84 3ig4 s ASN 265 N -1.88 4.32 0.30 2.29 0.01 -0.65 -1.09 114.94 118.24 3ig4 s ASN 265 Ca 0.44 -0.13 0.03 0.00 -0.71 0.00 0.00 52.86 52.49 3ig4 s ASN 265 Cb -0.14 -1.07 -0.03 0.00 0.41 0.00 0.00 41.25 40.42 3ig4 s ASN 265 CO 0.20 0.34 0.46 0.00 -1.51 0.00 0.00 177.10 176.59 3ig4 s ALA 266 N -0.66 3.83 -0.28 0.60 0.00 -0.83 -4.59 121.76 119.84 3ig4 s ALA 266 Ca 0.10 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.98 3ig4 s ALA 266 Cb -0.11 -1.92 0.15 0.00 0.00 0.00 0.00 23.12 21.24 3ig4 s ALA 266 CO 0.01 0.08 0.38 0.34 0.00 0.00 0.00 175.76 176.58 3ig4 s ASP 267 N -4.03 0.58 -0.05 0.00 2.15 -1.26 -4.40 116.67 109.67 3ig4 s ASP 267 Ca 0.38 -0.35 0.03 0.00 0.43 0.00 0.00 52.55 53.05 3ig4 s ASP 267 Cb -0.09 1.00 0.00 0.00 -0.30 0.00 0.00 42.92 43.53 3ig4 s ASP 267 CO 0.33 -0.35 -0.15 -0.63 -0.17 0.00 0.00 175.17 174.19 3ig4 s ILE 268 N 2.51 1.33 -0.09 4.11 -1.09 0.13 -4.58 121.20 123.52 3ig4 s ILE 268 Ca 0.10 -0.64 -0.01 0.00 -2.23 0.00 0.00 60.65 57.88 3ig4 s ILE 268 Cb -0.13 -1.17 -0.03 0.00 -1.58 0.00 0.00 42.46 39.55 3ig4 s ILE 268 CO -0.28 0.39 -0.04 -0.44 -1.23 0.00 0.00 174.94 173.34 3ig4 s SER 269 N 0.26 4.90 -0.13 3.58 0.01 -1.24 -1.17 113.70 119.92 3ig4 s SER 269 Ca -0.08 0.02 -0.06 0.00 1.31 0.00 0.00 55.95 57.15 3ig4 s SER 269 Cb -0.13 -1.39 0.06 0.00 0.21 0.00 0.00 66.02 64.77 3ig4 s SER 269 CO 0.03 0.34 0.29 -0.47 0.41 0.00 0.00 173.24 173.83 3ig4 s TYR 270 N -0.64 -0.44 -0.08 2.43 6.14 0.21 -1.73 117.35 123.25 3ig4 s TYR 270 Ca 0.10 0.99 0.04 0.00 0.64 0.00 0.00 57.07 58.83 3ig4 s TYR 270 Cb -0.12 0.06 -0.02 0.00 0.42 0.00 0.00 41.96 42.31 3ig4 s TYR 270 CO 0.02 -0.32 -0.18 0.99 0.64 0.00 0.00 175.55 176.70 3ig4 s THR 271 N 1.86 2.66 0.16 4.34 2.01 -1.25 0.83 115.64 126.25 3ig4 s THR 271 Ca -0.04 -0.84 -0.09 0.00 0.31 0.00 0.00 61.69 61.03 3ig4 s THR 271 Cb -0.11 -2.04 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 3ig4 s THR 271 CO -0.09 0.56 0.28 0.72 -0.69 0.00 0.00 174.62 175.40 3ig4 s PHE 272 N -0.20 0.42 -0.09 4.92 -0.12 -0.26 -4.97 117.98 117.67 3ig4 s PHE 272 Ca -0.01 -0.78 -0.23 0.00 -0.05 0.00 0.00 56.93 55.86 3ig4 s PHE 272 Cb -0.13 -0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.15 3ig4 s PHE 272 CO 0.03 -0.72 0.67 -1.25 -0.05 0.00 0.00 175.22 173.91 3ig4 s PRO 273 N -3.97 4.39 0.26 1.99 0.04 -1.26 0.83 135.00 137.28 3ig4 s PRO 273 Ca 0.18 0.80 -0.05 0.00 0.04 0.00 0.00 61.00 61.97 3ig4 s PRO 273 Cb 0.03 -3.47 0.32 0.00 0.04 0.00 0.00 34.50 31.43 3ig4 s PRO 273 CO 0.00 0.02 1.92 0.00 0.04 0.00 0.00 177.00 178.98 3ig4 h ALA 274 N 6.86 1.33 -0.34 8.56 0.00 -1.47 -1.66 119.26 132.54 3ig4 h ALA 274 Ca -0.39 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3ig4 h ALA 274 Cb 1.18 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3ig4 h ALA 274 CO 0.76 0.59 0.00 0.27 0.00 0.00 0.00 179.25 180.87 3ig4 n ASN 275 N -4.42 2.42 0.00 0.00 0.23 -1.26 -4.04 115.26 108.19 3ig4 n ASN 275 Ca 0.13 -2.16 0.00 0.00 -0.53 0.00 0.00 54.58 52.02 3ig4 n ASN 275 Cb 0.07 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.40 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 0.82 0.72 2.87 4.83 0.00 -0.62 -5.00 105.19 108.80 3ig4 n GLY 276 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.79 -0.28 0.30 2.61 2.01 -1.26 -4.61 115.64 111.61 3ig4 s THR 277 Ca 0.00 0.33 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 3ig4 s THR 277 Cb 0.00 -0.32 -0.10 0.00 0.01 0.00 0.00 72.50 72.09 3ig4 s THR 277 CO 0.00 0.14 1.30 -0.36 -0.69 0.00 0.00 174.62 175.01 3ig4 s PHE 278 N 2.27 3.12 0.74 4.92 0.08 -1.26 -4.86 117.98 123.00 3ig4 s PHE 278 Ca 0.02 1.37 -0.11 0.00 0.12 0.00 0.00 56.93 58.33 3ig4 s PHE 278 Cb -0.12 -3.65 0.04 0.00 -0.57 0.00 0.00 43.02 38.72 3ig4 s PHE 278 CO -0.06 -1.83 1.10 -1.54 -0.10 0.00 0.00 175.22 172.79 3ig4 s SER 279 N -0.31 5.06 0.18 1.36 1.04 -1.26 -4.83 113.70 114.93 3ig4 s SER 279 Ca 0.51 1.18 -0.15 0.00 0.48 0.00 0.00 55.95 57.97 3ig4 s SER 279 Cb -0.39 -1.95 0.14 0.00 0.10 0.00 0.00 66.02 63.92 3ig4 s SER 279 CO 0.49 -1.60 1.68 0.28 0.98 0.00 0.00 173.24 175.07 3ig4 h SER 280 N -0.83 -0.25 -0.34 7.02 0.02 -1.99 0.19 113.55 117.38 3ig4 h SER 280 Ca -0.46 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.58 3ig4 h SER 280 Cb 1.26 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 64.00 3ig4 h SER 280 CO 0.62 -0.08 0.10 -0.09 -1.14 0.00 0.00 176.83 176.24 3ig4 h ARG 281 N 0.08 0.52 -0.58 3.45 9.65 -2.00 -2.29 114.38 123.21 3ig4 h ARG 281 Ca 0.22 -0.11 -0.02 0.00 -1.10 0.00 0.00 59.98 58.97 3ig4 h ARG 281 Cb 0.32 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.80 3ig4 h ARG 281 CO -0.39 0.55 0.28 1.96 2.80 0.00 0.00 179.97 185.18 3ig4 h GLN 282 N 0.39 0.81 -0.42 0.20 4.20 -1.78 -0.82 115.11 117.68 3ig4 h GLN 282 Ca 0.11 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 3ig4 h GLN 282 Cb 0.25 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3ig4 h GLN 282 CO -0.00 0.62 0.01 -0.22 -0.67 0.00 0.00 178.83 178.58 3ig4 h LYS 283 N 0.81 0.68 0.61 1.46 3.64 -0.41 -0.88 116.57 122.49 3ig4 h LYS 283 Ca 0.20 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3ig4 h LYS 283 Cb 0.08 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3ig4 h LYS 283 CO -0.03 0.68 -0.29 1.96 -2.27 0.00 0.00 179.45 179.50 3ig4 h GLN 284 N 0.64 -0.79 -0.68 1.90 4.20 -0.60 -2.26 115.11 117.52 3ig4 h GLN 284 Ca 0.13 0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.91 3ig4 h GLN 284 Cb 0.38 0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 3ig4 h GLN 284 CO 0.01 -0.48 0.44 0.82 -0.67 0.00 0.00 178.83 178.95 3ig4 h ILE 285 N -1.07 1.15 0.24 2.54 1.08 -1.38 -2.12 117.51 117.94 3ig4 h ILE 285 Ca -0.08 -0.31 0.01 0.00 -0.39 0.00 0.00 64.86 64.09 3ig4 h ILE 285 Cb 0.68 0.18 -0.04 0.00 -3.07 0.00 0.00 36.82 34.57 3ig4 h ILE 285 CO 0.14 0.16 -0.41 0.22 -0.69 0.00 0.00 178.15 177.57 3ig4 h TYR 286 N 0.89 -1.14 -0.24 1.37 5.03 -1.17 -1.60 116.97 120.11 3ig4 h TYR 286 Ca 0.26 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.61 3ig4 h TYR 286 Cb -0.07 0.47 -0.01 0.00 1.55 0.00 0.00 36.73 38.67 3ig4 h TYR 286 CO -0.03 -0.53 0.16 -0.91 -1.32 0.00 0.00 178.16 175.53 3ig4 h ASN 287 N -0.72 0.20 -0.01 -2.11 2.35 -1.26 0.12 115.58 114.14 3ig4 h ASN 287 Ca -0.00 -0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3ig4 h ASN 287 Cb 0.70 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 3ig4 h ASN 287 CO -0.17 0.14 -0.03 0.40 -1.65 0.00 0.00 177.43 176.12 3ig4 h ILE 288 N 0.23 0.91 -0.12 2.81 2.04 -0.68 0.22 117.51 122.92 3ig4 h ILE 288 Ca 0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 3ig4 h ILE 288 Cb 0.11 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3ig4 h ILE 288 CO -0.02 0.00 0.05 0.58 0.00 0.00 0.00 178.15 178.76 3ig4 h VAL 289 N -0.05 1.15 -1.00 1.67 2.07 -0.33 -2.57 116.25 117.18 3ig4 h VAL 289 Ca 0.02 -0.44 0.09 0.00 0.82 0.00 0.00 66.70 67.19 3ig4 h VAL 289 Cb 0.08 1.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 3ig4 h VAL 289 CO -0.05 0.13 0.64 0.25 0.02 0.00 0.00 177.57 178.57 3ig4 h LEU 290 N 0.05 0.98 -0.55 2.57 5.85 -0.61 -0.41 115.31 123.18 3ig4 h LEU 290 Ca 0.04 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3ig4 h LEU 290 Cb 0.17 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3ig4 h LEU 290 CO -0.00 0.58 0.34 0.78 -0.34 0.00 0.00 178.44 179.80 3ig4 h ASN 291 N 1.08 0.56 -0.55 1.25 2.35 -0.41 -1.89 115.58 117.97 3ig4 h ASN 291 Ca 0.46 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.20 3ig4 h ASN 291 Cb 0.32 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 3ig4 h ASN 291 CO -0.21 0.40 0.33 0.00 -1.65 0.00 0.00 177.43 176.30 3ig4 h ALA 292 N 1.23 1.52 0.32 -0.83 0.00 -0.72 0.57 119.26 121.35 3ig4 h ALA 292 Ca 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3ig4 h ALA 292 Cb -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3ig4 h ALA 292 CO -0.08 0.41 -0.15 1.25 0.00 0.00 0.00 179.25 180.67 3ig4 h LEU 293 N 0.78 -0.36 -0.11 0.00 5.85 -0.69 -1.15 115.31 119.62 3ig4 h LEU 293 Ca 0.20 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.80 3ig4 h LEU 293 Cb -0.02 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 3ig4 h LEU 293 CO -0.04 0.01 -0.17 0.11 -0.34 0.00 0.00 178.44 178.01 3ig4 h LYS 294 N -0.78 -0.22 -0.54 1.25 1.57 -1.19 0.45 116.57 117.11 3ig4 h LYS 294 Ca -0.04 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3ig4 h LYS 294 Cb 0.51 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 3ig4 h LYS 294 CO 0.07 -0.14 0.34 0.93 -0.57 0.00 0.00 179.45 180.08 3ig4 h GLU 295 N -0.22 0.67 -0.21 3.15 4.39 -0.91 -0.03 114.58 121.41 3ig4 h GLU 295 Ca 0.09 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.59 3ig4 h GLU 295 Cb 0.36 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3ig4 h GLU 295 CO -0.25 0.44 -0.50 1.15 -1.16 0.00 0.00 179.01 178.69 3ig4 h THR 296 N 0.69 1.31 -0.63 1.13 2.02 -1.06 -2.95 112.91 113.42 3ig4 h THR 296 Ca 0.21 -1.72 0.07 0.00 0.77 0.00 0.00 66.41 65.74 3ig4 h THR 296 Cb -0.03 1.83 -0.06 0.00 -1.74 0.00 0.00 68.15 68.15 3ig4 h THR 296 CO -0.07 0.54 0.31 0.74 0.37 0.00 0.00 175.52 177.41 3ig4 h THR 297 N 0.44 0.90 -1.00 3.16 2.02 -0.73 -3.12 112.91 114.58 3ig4 h THR 297 Ca -0.00 -0.19 0.19 0.00 0.77 0.00 0.00 66.41 67.17 3ig4 h THR 297 Cb 1.12 0.28 -0.10 0.00 -1.74 0.00 0.00 68.15 67.71 3ig4 h THR 297 CO 0.11 0.10 0.61 -0.08 0.37 0.00 0.00 175.52 176.64 3ig4 h GLU 298 N 0.56 0.71 0.00 6.66 4.57 -0.82 -2.21 114.58 124.06 3ig4 h GLU 298 Ca 0.29 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 3ig4 h GLU 298 Cb 0.25 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 3ig4 h GLU 298 CO -0.22 0.47 -0.03 0.44 -1.18 0.00 0.00 179.01 178.50 3ig4 n ILE 299 N -4.73 0.11 -1.75 2.32 -5.35 -1.18 -4.86 119.36 103.93 3ig4 n ILE 299 Ca 0.23 -0.06 -0.42 0.00 -0.27 0.00 0.00 62.75 62.23 3ig4 n ILE 299 Cb 0.58 -0.48 -0.03 0.00 -1.74 0.00 0.00 39.64 37.97 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 -3.02 3.02 -0.12 7.28 1.01 -0.83 -4.93 121.20 123.61 3ig4 s ILE 300 Ca 0.13 0.16 -0.31 0.00 0.00 0.00 0.00 60.65 60.64 3ig4 s ILE 300 Cb 0.18 -3.10 0.13 0.00 0.01 0.00 0.00 42.46 39.67 3ig4 s ILE 300 CO 0.55 -0.01 1.03 -1.59 0.00 0.00 0.00 174.94 174.92 3ig4 s LYS 301 N 3.99 0.57 0.32 2.79 -2.85 -1.26 -3.70 119.74 119.60 3ig4 s LYS 301 Ca 0.84 -0.07 -0.26 0.00 -1.00 0.00 0.00 55.97 55.47 3ig4 s LYS 301 Cb -0.42 0.26 -0.14 0.00 -2.06 0.00 0.00 37.83 35.48 3ig4 s LYS 301 CO 0.38 -0.22 0.82 -2.30 0.10 0.00 0.00 175.35 174.14 3ig4 n PRO 302 N 0.20 0.96 0.00 1.78 -0.02 -1.26 -1.87 135.00 134.79 3ig4 n PRO 302 Ca -0.07 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3ig4 n PRO 302 Cb 0.59 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 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 1.47 3.36 3.72 -1.23 0.00 -0.63 -4.98 105.19 106.89 3ig4 n GLY 303 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 4.39 0.17 0.99 2.96 -0.78 -4.74 118.68 121.66 3ig4 s LEU 304 Ca 0.00 2.02 -0.31 0.00 -0.22 0.00 0.00 54.13 55.62 3ig4 s LEU 304 Cb 0.00 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 43.02 3ig4 s LEU 304 CO 0.00 -0.42 1.43 -0.54 -1.32 0.00 0.00 176.35 175.50 3ig4 s LYS 305 N 0.80 4.29 0.46 1.98 1.02 -1.26 -0.51 119.74 126.52 3ig4 s LYS 305 Ca 0.57 2.19 0.18 0.00 0.02 0.00 0.00 55.97 58.92 3ig4 s LYS 305 Cb -0.29 -3.19 1.16 0.00 -0.52 0.00 0.00 37.83 34.99 3ig4 s LYS 305 CO 0.30 -0.45 1.96 0.35 -0.92 0.00 0.00 175.35 176.60 3ig4 h PHE 306 N 6.24 0.31 0.00 3.18 3.57 -1.24 0.54 116.94 129.55 3ig4 h PHE 306 Ca -0.43 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 3ig4 h PHE 306 Cb 1.21 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.85 3ig4 h PHE 306 CO 0.64 0.13 -0.00 0.00 -2.23 0.00 0.00 178.31 176.85 3ig4 h ALA 307 N 1.69 1.01 0.00 2.41 0.00 -1.90 -2.71 119.26 119.76 3ig4 h ALA 307 Ca 0.30 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 3ig4 h ALA 307 Cb 0.80 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3ig4 h ALA 307 CO -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 179.25 178.84 3ig4 h ALA 308 N 2.00 1.03 0.45 0.00 0.00 -1.26 -3.09 119.26 118.40 3ig4 h ALA 308 Ca -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3ig4 h ALA 308 Cb 0.23 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ig4 h ALA 308 CO 0.00 0.43 -0.27 -0.07 0.00 0.00 0.00 179.25 179.33 3ig4 h LEU 309 N 0.00 -0.68 -0.94 0.00 3.38 -1.62 -0.88 115.31 114.56 3ig4 h LEU 309 Ca -0.00 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3ig4 h LEU 309 Cb 0.83 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 3ig4 h LEU 309 CO 0.04 -0.43 -0.49 -1.13 0.09 0.00 0.00 178.44 176.52 3ig4 h ASN 310 N -0.69 0.00 -0.36 -0.43 -0.73 -1.75 0.99 115.58 112.61 3ig4 h ASN 310 Ca -0.05 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.11 3ig4 h ASN 310 Cb 0.56 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.14 3ig4 h ASN 310 CO 0.05 0.49 0.19 -0.33 -0.37 0.00 0.00 177.43 177.46 3ig4 h GLU 311 N 0.00 0.51 -0.31 6.67 5.08 -1.43 -0.83 114.58 124.28 3ig4 h GLU 311 Ca -0.00 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.11 3ig4 h GLU 311 Cb 0.93 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 3ig4 h GLU 311 CO 0.06 0.44 -0.50 1.25 -1.00 0.00 0.00 179.01 179.26 3ig4 h HIS 312 N 0.45 1.08 0.00 4.33 2.76 -0.83 -1.52 115.15 121.42 3ig4 h HIS 312 Ca 0.13 -0.37 0.03 0.00 -2.20 0.00 0.00 60.37 57.96 3ig4 h HIS 312 Cb 0.09 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 28.80 3ig4 h HIS 312 CO -0.02 1.19 -0.18 0.00 -1.30 0.00 0.00 177.93 177.62 3ig4 h ALA 313 N 0.74 -0.22 -0.23 5.26 0.00 -0.69 -0.43 119.26 123.69 3ig4 h ALA 313 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3ig4 h ALA 313 Cb 1.10 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 3ig4 h ALA 313 CO 0.11 -0.67 -0.04 0.87 0.00 0.00 0.00 179.25 179.52 3ig4 h LYS 314 N -0.29 0.02 -0.30 0.00 1.57 -1.10 -0.16 116.57 116.30 3ig4 h LYS 314 Ca 0.05 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.90 3ig4 h LYS 314 Cb 0.36 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.59 3ig4 h LYS 314 CO -0.17 0.01 -0.23 -0.22 -0.57 0.00 0.00 179.45 178.27 3ig4 h LYS 315 N 0.02 -0.20 0.00 3.15 3.64 -0.89 -0.06 116.57 122.22 3ig4 h LYS 315 Ca 0.11 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.39 3ig4 h LYS 315 Cb 0.16 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3ig4 h LYS 315 CO -0.23 -0.13 -0.53 0.28 -2.27 0.00 0.00 179.45 176.58 3ig4 h VAL 316 N -0.21 1.31 -0.25 2.00 2.07 -0.71 -2.06 116.25 118.41 3ig4 h VAL 316 Ca 0.16 -1.84 -0.13 0.00 0.82 0.00 0.00 66.70 65.70 3ig4 h VAL 316 Cb 0.45 2.01 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3ig4 h VAL 316 CO -0.43 0.52 -0.35 -0.07 0.02 0.00 0.00 177.57 177.26 3ig4 h LEU 317 N 0.00 0.74 -0.60 2.57 3.38 -0.56 -2.70 115.31 118.14 3ig4 h LEU 317 Ca -0.01 -0.51 0.04 0.00 0.09 0.00 0.00 57.88 57.50 3ig4 h LEU 317 Cb 0.97 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 3ig4 h LEU 317 CO 0.07 1.10 0.34 0.00 0.09 0.00 0.00 178.44 180.04 3ig4 h ALA 318 N 0.66 0.78 -0.61 1.53 0.00 -0.73 -0.63 119.26 120.26 3ig4 h ALA 318 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3ig4 h ALA 318 Cb 0.94 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 3ig4 h ALA 318 CO 0.08 0.04 0.32 0.93 0.00 0.00 0.00 179.25 180.63 3ig4 h GLU 319 N 0.66 0.59 -0.60 0.00 5.08 -1.34 0.39 114.58 119.36 3ig4 h GLU 319 Ca 0.25 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 3ig4 h GLU 319 Cb 0.09 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3ig4 h GLU 319 CO -0.14 0.39 0.14 0.78 -1.00 0.00 0.00 179.01 179.19 3ig4 h GLY 320 N 0.61 1.05 1.00 -3.84 0.00 -1.12 -1.37 103.07 99.40 3ig4 h GLY 320 Ca 0.27 -0.66 -0.10 0.00 0.00 0.00 0.00 47.33 46.84 3ig4 h GLY 320 CO -0.18 0.62 -0.16 0.00 0.00 0.00 0.00 176.54 176.81 3ig4 h LYS 322 N 0.61 -0.06 -0.95 0.00 1.57 -0.24 0.10 116.57 117.59 3ig4 h LYS 322 Ca 0.09 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.99 3ig4 h LYS 322 Cb 0.71 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.96 3ig4 h LYS 322 CO 0.05 -0.04 0.61 0.00 -0.57 0.00 0.00 179.45 179.50 3ig4 h ALA 323 N 0.93 1.60 0.00 3.86 0.00 -1.08 -1.43 119.26 123.13 3ig4 h ALA 323 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ig4 h ALA 323 Cb 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ig4 h ALA 323 CO -0.04 0.19 -0.40 0.28 0.00 0.00 0.00 179.25 179.28 3ig4 h VAL 324 N 0.93 0.00 0.00 0.00 2.07 -1.14 -3.48 116.25 114.63 3ig4 h VAL 324 Ca 0.46 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3ig4 h VAL 324 Cb 0.47 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3ig4 h VAL 324 CO -0.22 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.98 3ig4 n GLY 325 N 1.21 0.85 0.10 2.17 0.00 -0.35 -4.97 105.19 104.19 3ig4 n GLY 325 Ca 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -8.45 0.99 5.85 -1.10 -3.46 115.31 109.14 3ig4 h LEU 326 Ca 0.00 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.53 3ig4 h LEU 326 Cb 0.00 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 40.88 3ig4 h LEU 326 CO 0.00 0.81 -0.62 0.27 -0.34 0.00 0.00 178.44 178.56 3ig4 s ILE 327 N -3.16 0.07 -0.19 4.05 -4.36 -1.17 -5.00 121.20 111.45 3ig4 s ILE 327 Ca -0.00 -1.90 -0.10 0.00 -0.26 0.00 0.00 60.65 58.39 3ig4 s ILE 327 Cb 0.11 -2.15 -0.08 0.00 1.25 0.00 0.00 42.46 41.60 3ig4 s ILE 327 CO 0.79 -0.34 -0.25 1.67 0.24 0.00 0.00 174.94 177.05 3ig4 n GLN 328 N -0.15 0.41 -4.43 0.37 -0.06 -1.26 -4.23 117.38 108.04 3ig4 n GLN 328 Ca -0.04 0.18 -0.24 0.00 -2.00 0.00 0.00 57.00 54.91 3ig4 n GLN 328 Cb 0.64 -1.20 -0.09 0.00 -4.06 0.00 0.00 30.24 25.53 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 -2.39 1.81 0.38 3.69 2.02 -1.26 -4.97 118.70 117.98 3ig4 s GLU 329 Ca -0.27 -1.69 0.05 0.00 0.02 0.00 0.00 54.97 53.09 3ig4 s GLU 329 Cb 0.10 -1.86 0.77 0.00 0.10 0.00 0.00 34.13 33.24 3ig4 s GLU 329 CO 0.34 0.34 2.03 -0.44 0.02 0.00 0.00 175.26 177.55 3ig4 h ASP 330 N 2.21 0.59 -0.76 -0.19 5.19 -1.96 -2.50 116.42 118.99 3ig4 h ASP 330 Ca -0.41 -0.01 0.16 0.00 -0.62 0.00 0.00 57.03 56.15 3ig4 h ASP 330 Cb 1.26 -0.14 -0.05 0.00 0.18 0.00 0.00 39.33 40.57 3ig4 h ASP 330 CO 0.60 0.42 0.51 -0.08 -3.12 0.00 0.00 179.24 177.57 3ig4 h GLU 331 N 0.69 0.34 0.00 3.56 4.81 -2.03 -1.34 114.58 120.62 3ig4 h GLU 331 Ca 0.20 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3ig4 h GLU 331 Cb -0.04 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.27 3ig4 h GLU 331 CO -0.05 0.23 0.00 0.39 -0.73 0.00 0.00 179.01 178.85 3ig4 n GLU 332 N -4.46 0.16 -0.01 1.92 1.02 -0.94 -3.34 120.64 114.99 3ig4 n GLU 332 Ca 0.15 0.46 0.01 0.00 -0.02 0.00 0.00 57.16 57.76 3ig4 n GLU 332 Cb 0.58 -1.85 0.33 0.00 -0.02 0.00 0.00 31.44 30.48 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 0.50 -2.11 -4.62 5.85 -1.41 -2.63 115.31 110.89 3ig4 h LEU 333 Ca 0.00 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.74 3ig4 h LEU 333 Cb 0.26 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3ig4 h LEU 333 CO 0.00 0.50 0.31 0.77 -0.34 0.00 0.00 178.44 179.68 3ig4 h SER 334 N 0.53 0.00 0.80 1.25 4.64 -1.73 0.48 113.55 119.52 3ig4 h SER 334 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3ig4 h SER 334 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3ig4 h SER 334 CO -0.00 0.00 0.00 0.50 -0.87 0.00 0.00 176.83 176.46 3ig4 h LYS 335 N 0.00 0.00 0.00 4.77 3.64 -1.74 -3.31 116.57 119.94 3ig4 h LYS 335 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3ig4 h LYS 335 Cb 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3ig4 h LYS 335 CO -0.00 0.00 -0.45 0.66 -2.27 0.00 0.00 179.45 177.39 3ig4 n TYR 336 N -2.66 0.00 -3.51 1.91 4.01 0.15 -4.92 117.16 112.15 3ig4 n TYR 336 Ca 0.01 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.55 3ig4 n TYR 336 Cb 0.25 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.14 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 -1.29 -0.19 -0.32 -0.72 5.04 -0.31 -0.36 117.35 119.20 3ig4 s TYR 337 Ca 0.00 0.06 0.15 0.00 -2.44 0.00 0.00 57.07 54.84 3ig4 s TYR 337 Cb 0.00 -0.45 0.47 0.00 0.35 0.00 0.00 41.96 42.33 3ig4 s TYR 337 CO 0.00 -0.62 1.06 2.48 -1.34 0.00 0.00 175.55 177.13 3ig4 n TYR 338 N 5.31 1.87 -4.10 4.97 4.11 -1.26 -4.26 117.16 123.80 3ig4 n TYR 338 Ca -0.06 -2.58 -0.14 0.00 -0.00 0.00 0.00 57.90 55.12 3ig4 n TYR 338 Cb 0.49 -0.27 -0.05 0.00 -0.00 0.00 0.00 39.34 39.51 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 -3.47 1.02 0.54 -3.48 -3.43 -1.26 -5.16 115.29 100.05 3ig4 s HIS 339 Ca 0.35 -1.25 -0.15 0.00 -0.80 0.00 0.00 55.06 53.20 3ig4 s HIS 339 Cb 0.40 -0.12 -0.07 0.00 -1.43 0.00 0.00 32.58 31.36 3ig4 s HIS 339 CO -0.03 -1.07 1.00 0.20 -2.00 0.00 0.00 174.74 172.84 3ig4 s GLY 340 N -3.21 1.98 0.07 -1.38 0.00 -1.26 -4.99 107.32 98.52 3ig4 s GLY 340 Ca 0.31 0.12 0.23 0.00 0.00 0.00 0.00 44.72 45.38 3ig4 s GLY 340 CO 0.19 0.40 1.09 1.55 0.00 0.00 0.00 173.10 176.33 3ig4 n VAL 341 N -1.83 0.21 -3.84 1.40 3.14 -1.26 -4.88 118.33 111.28 3ig4 n VAL 341 Ca 0.06 -0.25 -0.12 0.00 -2.96 0.00 0.00 64.34 61.07 3ig4 n VAL 341 Cb 0.54 0.12 -0.11 0.00 -1.06 0.00 0.00 33.84 33.33 3ig4 n VAL 341 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3ig4 s SER 342 N -4.01 -0.10 0.07 6.55 0.15 -1.26 0.17 113.70 115.29 3ig4 s SER 342 Ca 0.04 0.11 -0.09 0.00 0.70 0.00 0.00 55.95 56.72 3ig4 s SER 342 Cb 0.14 0.30 -0.00 0.00 -1.71 0.00 0.00 66.02 64.75 3ig4 s SER 342 CO 0.78 -0.20 0.18 -1.38 1.20 0.00 0.00 173.24 173.83 3ig4 s HIS 343 N -0.56 0.13 0.82 3.44 -3.43 -1.23 -4.93 115.29 109.54 3ig4 s HIS 343 Ca -0.07 -0.50 -0.12 0.00 -0.80 0.00 0.00 55.06 53.58 3ig4 s HIS 343 Cb -0.04 -0.06 0.09 0.00 -1.43 0.00 0.00 32.58 31.14 3ig4 s HIS 343 CO 0.01 -0.50 1.15 -0.06 -2.00 0.00 0.00 174.74 173.34 3ig4 s PHE 344 N -3.46 1.99 0.01 0.38 0.08 -1.26 -1.01 117.98 114.70 3ig4 s PHE 344 Ca 0.02 1.68 0.00 0.00 0.12 0.00 0.00 56.93 58.75 3ig4 s PHE 344 Cb 0.03 -3.31 -0.01 0.00 -0.57 0.00 0.00 43.02 39.16 3ig4 s PHE 344 CO -0.09 -2.49 -0.02 -1.17 -0.10 0.00 0.00 175.22 171.35 3ig4 s LEU 345 N -5.97 2.06 0.00 -0.37 2.96 -0.75 -1.39 118.68 115.21 3ig4 s LEU 345 Ca 0.68 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.45 3ig4 s LEU 345 Cb -0.23 -0.05 0.00 0.00 0.50 0.00 0.00 46.19 46.41 3ig4 s LEU 345 CO 0.53 -0.05 0.00 0.61 -1.32 0.00 0.00 176.35 176.12 3ig4 n GLY 346 N 2.70 -0.53 0.28 7.98 0.00 -1.26 -4.63 105.19 109.73 3ig4 n GLY 346 Ca -0.15 0.30 0.19 0.00 0.00 0.00 0.00 46.02 46.36 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 -8.67 0.99 3.38 -1.94 -1.73 115.31 107.34 3ig4 h LEU 347 Ca 0.00 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 3ig4 h LEU 347 Cb 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.47 3ig4 h LEU 347 CO 0.00 0.00 -0.88 -1.81 0.09 0.00 0.00 178.44 175.84 3ig4 s ASP 348 N -5.35 3.15 0.12 -0.43 1.01 -1.26 -4.75 116.67 109.16 3ig4 s ASP 348 Ca -0.01 -0.49 -0.20 0.00 0.71 0.00 0.00 52.55 52.56 3ig4 s ASP 348 Cb 0.10 -0.35 -0.06 0.00 1.01 0.00 0.00 42.92 43.62 3ig4 s ASP 348 CO 0.48 0.30 1.75 0.74 0.21 0.00 0.00 175.17 178.65 3ig4 h THR 349 N 4.38 0.98 -2.93 -1.27 2.02 -1.85 -2.65 112.91 111.60 3ig4 h THR 349 Ca -0.44 -0.06 -0.75 0.00 0.77 0.00 0.00 66.41 65.93 3ig4 h THR 349 Cb 1.13 0.80 -0.22 0.00 -1.74 0.00 0.00 68.15 68.12 3ig4 h THR 349 CO 0.46 0.03 0.70 -1.00 0.37 0.00 0.00 175.52 176.08 3ig4 s HIS 350 N -6.18 3.60 0.88 3.16 3.76 -1.26 -4.38 115.29 114.87 3ig4 s HIS 350 Ca -0.13 -1.98 -0.11 0.00 -0.15 0.00 0.00 55.06 52.69 3ig4 s HIS 350 Cb 0.09 -4.09 0.12 0.00 1.11 0.00 0.00 32.58 29.81 3ig4 s HIS 350 CO 0.69 -1.24 1.10 0.34 -0.85 0.00 0.00 174.74 174.78 3ig4 s ASP 351 N 2.61 3.47 0.98 1.40 2.15 -0.49 -4.95 116.67 121.84 3ig4 s ASP 351 Ca 0.31 1.77 -0.12 0.00 0.43 0.00 0.00 52.55 54.94 3ig4 s ASP 351 Cb -0.07 -2.40 0.18 0.00 -0.30 0.00 0.00 42.92 40.33 3ig4 s ASP 351 CO -0.07 -2.69 1.10 0.68 -0.17 0.00 0.00 175.17 174.02 3ig4 s VAL 352 N -2.81 2.11 0.00 1.11 -7.23 -1.26 -4.60 120.40 107.72 3ig4 s VAL 352 Ca 0.64 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.85 3ig4 s VAL 352 Cb -0.19 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.18 3ig4 s VAL 352 CO 0.58 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.93 3ig4 n GLY 353 N -1.23 3.79 3.79 2.32 0.00 -1.26 -4.77 105.19 107.83 3ig4 n GLY 353 Ca 0.05 -1.42 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.95 3.62 -0.04 2.61 -4.23 -1.26 -4.98 115.64 110.41 3ig4 s THR 354 Ca 0.00 0.91 0.07 0.00 -1.18 0.00 0.00 61.69 61.49 3ig4 s THR 354 Cb 0.00 -3.37 -0.10 0.00 1.34 0.00 0.00 72.50 70.37 3ig4 s THR 354 CO 0.00 -0.31 0.09 -1.22 -0.54 0.00 0.00 174.62 172.64 3ig4 n TYR 355 N -1.49 0.00 -1.62 3.99 4.02 -1.26 -4.80 117.16 116.00 3ig4 n TYR 355 Ca 0.10 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.54 3ig4 n TYR 355 Cb 0.52 -0.26 -0.04 0.00 -0.02 0.00 0.00 39.34 39.55 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 -2.02 2.26 -1.20 -0.72 3.00 -1.26 -1.40 118.16 116.83 3ig4 n LYS 356 Ca -0.07 0.75 -0.07 0.00 -0.00 0.00 0.00 58.31 58.93 3ig4 n LYS 356 Cb 0.47 -2.99 -0.03 0.00 0.00 0.00 0.00 35.03 32.48 3ig4 n LYS 356 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3ig4 n ASP 357 N 9.18 -4.84 -4.74 3.14 8.00 -1.26 -4.96 116.55 121.06 3ig4 n ASP 357 Ca 0.26 0.17 -0.41 0.00 0.71 0.00 0.00 54.79 55.51 3ig4 n ASP 357 Cb 0.39 -2.94 -0.02 0.00 -0.02 0.00 0.00 41.12 38.53 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 -2.23 4.25 -0.03 -1.24 6.06 -0.49 -4.92 118.95 120.35 3ig4 s ARG 358 Ca 0.00 2.32 0.05 0.00 -2.50 0.00 0.00 55.73 55.60 3ig4 s ARG 358 Cb 0.00 -3.11 -0.03 0.00 0.06 0.00 0.00 34.95 31.87 3ig4 s ARG 358 CO 0.00 -0.46 -0.17 0.14 -2.50 0.00 0.00 175.30 172.32 3ig4 s VAL 359 N 0.14 2.86 0.46 7.11 -7.23 -1.26 -0.66 120.40 121.83 3ig4 s VAL 359 Ca 0.61 -0.88 -0.23 0.00 -1.81 0.00 0.00 61.98 59.67 3ig4 s VAL 359 Cb -0.42 -2.12 -0.07 0.00 0.56 0.00 0.00 36.38 34.32 3ig4 s VAL 359 CO 0.42 0.53 1.16 -0.76 -0.31 0.00 0.00 175.10 176.15 3ig4 s LEU 360 N -0.87 4.00 0.06 1.32 1.02 0.33 -4.87 118.68 119.66 3ig4 s LEU 360 Ca 0.12 2.30 -0.07 0.00 0.02 0.00 0.00 54.13 56.50 3ig4 s LEU 360 Cb -0.10 -4.26 -0.01 0.00 0.02 0.00 0.00 46.19 41.84 3ig4 s LEU 360 CO 0.01 -0.93 0.13 -1.61 0.02 0.00 0.00 176.35 173.98 3ig4 s GLU 361 N -2.72 0.70 0.17 1.70 2.02 -1.26 -1.61 118.70 117.70 3ig4 s GLU 361 Ca 0.64 -0.85 -0.33 0.00 0.02 0.00 0.00 54.97 54.45 3ig4 s GLU 361 Cb -0.28 0.28 -0.15 0.00 0.10 0.00 0.00 34.13 34.08 3ig4 s GLU 361 CO 0.34 -0.19 1.37 -1.91 0.02 0.00 0.00 175.26 174.89 3ig4 n GLU 362 N 0.40 1.66 0.00 1.61 2.13 -1.26 -4.75 120.64 120.42 3ig4 n GLU 362 Ca -0.17 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.24 3ig4 n GLU 362 Cb 0.60 -2.23 0.00 0.00 0.27 0.00 0.00 31.44 30.08 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 2.48 0.65 3.59 8.31 0.00 -0.45 -4.92 105.19 114.85 3ig4 n GLY 363 Ca 0.15 -0.53 -0.02 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.63 -0.29 0.12 1.61 1.01 -1.26 -0.79 120.40 120.17 3ig4 s VAL 365 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.99 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 -0.01 0.27 0.00 0.00 0.00 175.10 175.36 3ig4 s ILE 366 N 1.94 0.48 0.21 2.22 -4.36 -0.26 -1.81 121.20 119.61 3ig4 s ILE 366 Ca -0.07 -1.92 0.07 0.00 -0.26 0.00 0.00 60.65 58.46 3ig4 s ILE 366 Cb -0.06 -1.88 -0.04 0.00 1.25 0.00 0.00 42.46 41.73 3ig4 s ILE 366 CO -0.18 -0.67 0.09 0.42 0.24 0.00 0.00 174.94 174.85 3ig4 s THR 367 N -3.78 4.10 -0.11 8.37 -4.23 -0.18 0.12 115.64 119.92 3ig4 s THR 367 Ca 0.18 -1.39 -0.01 0.00 -1.18 0.00 0.00 61.69 59.28 3ig4 s THR 367 Cb 0.06 -3.13 0.03 0.00 1.34 0.00 0.00 72.50 70.81 3ig4 s THR 367 CO -0.01 -0.22 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.21 3ig4 s ILE 368 N -1.94 0.58 -0.42 2.99 -1.09 -0.63 -3.52 121.20 117.18 3ig4 s ILE 368 Ca 0.31 -0.15 0.08 0.00 -2.23 0.00 0.00 60.65 58.66 3ig4 s ILE 368 Cb -0.09 -0.78 0.29 0.00 -1.58 0.00 0.00 42.46 40.30 3ig4 s ILE 368 CO 0.22 0.17 0.74 -1.84 -1.23 0.00 0.00 174.94 173.01 3ig4 n GLU 369 N 5.07 0.84 -0.83 2.79 0.28 0.13 -1.67 120.64 127.24 3ig4 n GLU 369 Ca -0.09 -2.77 -0.31 0.00 -0.16 0.00 0.00 57.16 53.84 3ig4 n GLU 369 Cb 0.49 -1.37 0.16 0.00 1.43 0.00 0.00 31.44 32.14 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 -0.93 1.13 0.15 3.44 0.04 -1.25 -4.74 135.00 132.84 3ig4 s PRO 370 Ca 0.34 1.37 -0.25 0.00 0.04 0.00 0.00 61.00 62.50 3ig4 s PRO 370 Cb 0.25 -1.75 0.06 0.00 0.04 0.00 0.00 34.50 33.10 3ig4 s PRO 370 CO -0.12 -2.50 0.88 0.20 0.04 0.00 0.00 177.00 175.50 3ig4 s GLY 371 N -2.86 -0.28 -0.01 0.56 0.00 -1.26 -2.86 107.32 100.62 3ig4 s GLY 371 Ca 0.65 0.23 -0.00 0.00 0.00 0.00 0.00 44.72 45.61 3ig4 s GLY 371 CO 0.58 0.06 0.02 1.08 0.00 0.00 0.00 173.10 174.84 3ig4 s LEU 372 N -2.84 1.63 -0.17 0.66 1.43 -0.18 -4.66 118.68 114.54 3ig4 s LEU 372 Ca 0.10 0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 3ig4 s LEU 372 Cb -0.02 -0.00 0.05 0.00 0.03 0.00 0.00 46.19 46.24 3ig4 s LEU 372 CO -0.00 -0.05 -0.02 -0.31 0.23 0.00 0.00 176.35 176.19 3ig4 s TYR 373 N 0.41 1.49 -0.38 0.29 2.02 0.51 -1.44 117.35 120.26 3ig4 s TYR 373 Ca -0.03 -1.00 0.02 0.00 -0.37 0.00 0.00 57.07 55.69 3ig4 s TYR 373 Cb -0.05 -1.21 0.11 0.00 -0.40 0.00 0.00 41.96 40.40 3ig4 s TYR 373 CO -0.01 -0.60 0.11 0.42 -1.57 0.00 0.00 175.55 173.90 3ig4 s ILE 374 N 1.70 2.57 0.08 2.71 1.01 0.63 -4.48 121.20 125.42 3ig4 s ILE 374 Ca 0.00 -2.39 -0.21 0.00 0.00 0.00 0.00 60.65 58.05 3ig4 s ILE 374 Cb -0.16 -2.84 -0.11 0.00 0.01 0.00 0.00 42.46 39.36 3ig4 s ILE 374 CO -0.07 -0.65 1.61 -0.08 0.00 0.00 0.00 174.94 175.75 3ig4 h GLU 375 N 7.59 0.23 0.00 2.79 4.81 -1.92 -1.09 114.58 126.98 3ig4 h GLU 375 Ca -0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3ig4 h GLU 375 Cb 1.01 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.36 3ig4 h GLU 375 CO 0.58 0.32 0.00 -0.85 -0.73 0.00 0.00 179.01 178.33 3ig4 n GLU 376 N -4.87 0.17 0.00 1.92 0.00 -1.26 -1.71 120.64 114.89 3ig4 n GLU 376 Ca -0.05 0.16 0.04 0.00 0.00 0.00 0.00 57.16 57.32 3ig4 n GLU 376 Cb 0.12 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.06 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 -1.33 2.35 -3.55 3.44 1.02 -0.91 -5.01 120.64 116.65 3ig4 n GLU 377 Ca 0.07 -0.51 -0.20 0.00 -0.02 0.00 0.00 57.16 56.49 3ig4 n GLU 377 Cb 0.13 -1.03 0.07 0.00 -0.02 0.00 0.00 31.44 30.59 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 -0.36 -3.29 -3.91 1.62 7.64 -0.46 -4.98 113.62 109.87 3ig4 n SER 378 Ca 0.04 -0.64 -0.24 0.00 1.01 0.00 0.00 58.87 59.04 3ig4 n SER 378 Cb 0.18 -4.87 -0.17 0.00 -1.01 0.00 0.00 64.21 58.34 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 -3.39 0.81 -0.06 0.44 1.01 -0.93 -3.81 121.20 115.27 3ig4 s ILE 379 Ca 0.21 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.65 3ig4 s ILE 379 Cb -0.09 -0.82 0.02 0.00 0.01 0.00 0.00 42.46 41.57 3ig4 s ILE 379 CO 0.75 0.31 -0.08 -0.83 0.00 0.00 0.00 174.94 175.08 3ig4 s GLY 380 N 1.28 0.64 -0.03 6.18 0.00 -1.26 -0.27 107.32 113.85 3ig4 s GLY 380 Ca -0.04 -0.25 0.01 0.00 0.00 0.00 0.00 44.72 44.43 3ig4 s GLY 380 CO -0.03 0.29 -0.02 -0.42 0.00 0.00 0.00 173.10 172.93 3ig4 s ILE 381 N 0.82 0.30 0.00 0.90 1.01 -0.52 -4.69 121.20 119.03 3ig4 s ILE 381 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.53 3ig4 s ILE 381 Cb -0.15 -0.37 -0.00 0.00 0.01 0.00 0.00 42.46 41.95 3ig4 s ILE 381 CO 0.02 0.17 -0.01 -0.60 0.00 0.00 0.00 174.94 174.51 3ig4 s ARG 382 N 0.91 0.07 -0.06 2.79 3.52 -1.26 -1.01 118.95 123.91 3ig4 s ARG 382 Ca -0.10 -0.07 -0.01 0.00 -0.13 0.00 0.00 55.73 55.41 3ig4 s ARG 382 Cb -0.13 -0.04 0.03 0.00 -1.56 0.00 0.00 34.95 33.25 3ig4 s ARG 382 CO -0.01 0.01 0.01 0.42 -0.81 0.00 0.00 175.30 174.92 3ig4 s ILE 383 N -0.14 0.31 -0.05 4.11 1.01 -1.14 -3.68 121.20 121.63 3ig4 s ILE 383 Ca -0.01 0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.80 3ig4 s ILE 383 Cb -0.01 -0.46 0.01 0.00 0.01 0.00 0.00 42.46 42.01 3ig4 s ILE 383 CO -0.00 0.24 -0.10 -0.70 0.00 0.00 0.00 174.94 174.38 3ig4 s GLU 384 N 1.84 1.26 0.29 2.79 2.12 -0.70 -3.86 118.70 122.42 3ig4 s GLU 384 Ca 0.02 -0.31 0.11 0.00 0.36 0.00 0.00 54.97 55.15 3ig4 s GLU 384 Cb -0.12 -1.11 -0.05 0.00 0.26 0.00 0.00 34.13 33.10 3ig4 s GLU 384 CO -0.04 0.04 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.09 3ig4 s ASP 385 N 0.55 3.92 -0.30 -1.70 1.01 -0.67 -3.60 116.67 115.88 3ig4 s ASP 385 Ca -0.10 -0.93 -0.08 0.00 0.71 0.00 0.00 52.55 52.15 3ig4 s ASP 385 Cb -0.13 -0.48 0.00 0.00 1.01 0.00 0.00 42.92 43.33 3ig4 s ASP 385 CO 0.02 -0.01 0.10 -1.81 0.21 0.00 0.00 175.17 173.68 3ig4 s ASP 386 N -3.58 5.25 -0.11 0.27 1.01 -1.26 -1.60 116.67 116.65 3ig4 s ASP 386 Ca 0.31 -0.66 -0.02 0.00 0.71 0.00 0.00 52.55 52.89 3ig4 s ASP 386 Cb -0.04 -1.92 -0.03 0.00 1.01 0.00 0.00 42.92 41.94 3ig4 s ASP 386 CO 0.17 -0.19 -0.02 -0.63 0.21 0.00 0.00 175.17 174.71 3ig4 s ILE 387 N 1.53 4.12 -0.10 0.77 -1.09 0.12 -1.05 121.20 125.49 3ig4 s ILE 387 Ca 0.03 -0.30 -0.10 0.00 -2.23 0.00 0.00 60.65 58.04 3ig4 s ILE 387 Cb -0.17 -2.75 -0.05 0.00 -1.58 0.00 0.00 42.46 37.91 3ig4 s ILE 387 CO 0.04 0.56 0.23 -0.22 -1.23 0.00 0.00 174.94 174.32 3ig4 s LEU 388 N -0.43 4.37 -0.15 2.97 2.96 0.29 -1.11 118.68 127.59 3ig4 s LEU 388 Ca 0.07 0.58 -0.21 0.00 -0.22 0.00 0.00 54.13 54.35 3ig4 s LEU 388 Cb -0.12 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 3ig4 s LEU 388 CO 0.02 0.31 0.62 -0.69 -1.32 0.00 0.00 176.35 175.30 3ig4 s VAL 389 N -0.65 5.06 0.55 1.68 1.01 -1.26 -0.92 120.40 125.86 3ig4 s VAL 389 Ca 0.17 1.21 0.06 0.00 0.00 0.00 0.00 61.98 63.42 3ig4 s VAL 389 Cb -0.13 -3.95 0.04 0.00 0.00 0.00 0.00 36.38 32.34 3ig4 s VAL 389 CO 0.06 0.18 0.46 0.42 0.00 0.00 0.00 175.10 176.22 3ig4 s THR 390 N 1.41 1.75 0.31 3.92 -4.23 -0.28 -1.34 115.64 117.18 3ig4 s THR 390 Ca 0.30 -1.42 0.08 0.00 -1.18 0.00 0.00 61.69 59.47 3ig4 s THR 390 Cb -0.16 -2.16 0.31 0.00 1.34 0.00 0.00 72.50 71.82 3ig4 s THR 390 CO 0.12 0.00 1.75 0.50 -0.54 0.00 0.00 174.62 176.46 3ig4 h LYS 391 N 0.68 0.66 0.00 3.99 3.64 -1.96 -3.20 116.57 120.37 3ig4 h LYS 391 Ca -0.36 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3ig4 h LYS 391 Cb 1.30 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3ig4 h LYS 391 CO 0.55 0.44 0.00 -0.40 -2.27 0.00 0.00 179.45 177.76 3ig4 n ASP 392 N -4.82 0.55 0.00 4.20 5.68 -1.26 -4.73 116.55 116.17 3ig4 n ASP 392 Ca 0.25 -1.26 0.00 0.00 -0.50 0.00 0.00 54.79 53.28 3ig4 n ASP 392 Cb 0.66 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 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 -0.13 0.94 3.20 6.12 0.00 -1.21 -4.85 105.19 109.27 3ig4 n GLY 393 Ca 0.00 0.33 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 2.01 0.57 -0.11 1.61 -3.43 -1.24 -1.12 115.29 113.58 3ig4 s HIS 394 Ca 0.00 -0.97 -0.01 0.00 -0.80 0.00 0.00 55.06 53.28 3ig4 s HIS 394 Cb 0.00 -0.28 0.03 0.00 -1.43 0.00 0.00 32.58 30.90 3ig4 s HIS 394 CO 0.00 -0.56 -0.06 -2.00 -2.00 0.00 0.00 174.74 170.12 3ig4 s GLU 395 N -3.98 1.32 -0.65 -0.38 2.12 -0.10 -4.82 118.70 112.22 3ig4 s GLU 395 Ca 0.17 -0.18 -0.27 0.00 0.36 0.00 0.00 54.97 55.04 3ig4 s GLU 395 Cb 0.06 -1.46 0.02 0.00 0.26 0.00 0.00 34.13 33.01 3ig4 s GLU 395 CO -0.02 -0.28 1.32 1.21 -0.54 0.00 0.00 175.26 176.95 3ig4 s ASN 396 N 1.77 6.17 0.61 -1.70 3.84 -1.26 -0.55 114.94 123.82 3ig4 s ASN 396 Ca 0.05 -0.10 0.35 0.00 0.21 0.00 0.00 52.86 53.38 3ig4 s ASN 396 Cb -0.13 -2.55 2.00 0.00 -0.55 0.00 0.00 41.25 40.02 3ig4 s ASN 396 CO -0.08 -1.75 2.27 -0.07 -2.79 0.00 0.00 177.10 174.68 3ig4 h LEU 397 N 12.97 0.00 -3.36 3.21 3.38 -1.45 -2.76 115.31 127.30 3ig4 h LEU 397 Ca -0.27 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.49 3ig4 h LEU 397 Cb 1.07 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.69 3ig4 h LEU 397 CO 1.23 0.01 -0.20 -1.54 0.09 0.00 0.00 178.44 178.04 3ig4 n SER 398 N -3.50 2.78 0.22 -0.43 3.41 -1.24 -4.73 113.62 110.12 3ig4 n SER 398 Ca -0.03 -3.82 0.06 0.00 -0.26 0.00 0.00 58.87 54.83 3ig4 n SER 398 Cb 0.10 -0.60 0.50 0.00 -0.26 0.00 0.00 64.21 63.95 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 1.16 0.00 0.00 4.33 2.10 -1.85 -2.78 116.57 119.54 3ig4 h LYS 399 Ca 0.22 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.87 3ig4 h LYS 399 Cb 1.50 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.83 3ig4 h LYS 399 CO 0.41 0.25 -0.00 -0.44 -2.00 0.00 0.00 179.45 177.66 3ig4 h ASP 400 N 0.00 0.00 -2.99 7.07 3.32 -1.87 -3.41 116.42 118.54 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 0.48 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 3ig4 h ASP 400 CO 0.03 0.00 0.97 -0.63 -1.72 0.00 0.00 179.24 177.89 3ig4 s ILE 401 N -4.05 4.12 0.21 0.35 1.01 -1.05 -4.97 121.20 116.83 3ig4 s ILE 401 Ca -0.04 1.31 -0.30 0.00 0.00 0.00 0.00 60.65 61.62 3ig4 s ILE 401 Cb 0.12 -4.02 -0.09 0.00 0.01 0.00 0.00 42.46 38.48 3ig4 s ILE 401 CO 0.45 -0.31 1.41 0.27 0.00 0.00 0.00 174.94 176.76 3ig4 s ILE 402 N 4.11 2.88 0.00 2.92 -4.36 -1.26 -4.92 121.20 120.57 3ig4 s ILE 402 Ca 0.58 0.71 0.00 0.00 -0.26 0.00 0.00 60.65 61.68 3ig4 s ILE 402 Cb -0.20 -3.45 0.00 0.00 1.25 0.00 0.00 42.46 40.05 3ig4 s ILE 402 CO 0.21 0.10 0.00 0.54 0.24 0.00 0.00 174.94 176.03 3ig4 n ARG 403 N 2.72 2.84 -1.89 0.37 5.12 -1.26 -4.88 116.66 119.67 3ig4 n ARG 403 Ca 0.08 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.63 3ig4 n ARG 403 Cb 0.41 -0.99 0.04 0.00 -1.16 0.00 0.00 32.46 30.76 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 -1.98 2.91 0.21 5.56 0.41 -1.26 -4.84 118.70 119.70 3ig4 s GLU 404 Ca 0.00 1.99 -0.10 0.00 -0.41 0.00 0.00 54.97 56.45 3ig4 s GLU 404 Cb 0.00 -2.00 0.20 0.00 -1.78 0.00 0.00 34.13 30.55 3ig4 s GLU 404 CO 0.00 -1.30 1.83 0.28 -0.49 0.00 0.00 175.26 175.58 3ig4 h VAL 405 N 0.95 1.06 -0.15 2.63 2.07 -1.99 -1.41 116.25 119.40 3ig4 h VAL 405 Ca -0.51 -0.27 -0.15 0.00 0.82 0.00 0.00 66.70 66.59 3ig4 h VAL 405 Cb 1.31 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3ig4 h VAL 405 CO 0.55 0.14 -0.54 -0.33 0.02 0.00 0.00 177.57 177.42 3ig4 h GLU 406 N 0.79 0.44 -0.48 1.57 5.08 -1.99 -2.34 114.58 117.64 3ig4 h GLU 406 Ca 0.28 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 3ig4 h GLU 406 Cb 0.07 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3ig4 h GLU 406 CO -0.13 0.86 -0.01 0.93 -1.00 0.00 0.00 179.01 179.67 3ig4 h GLU 407 N 0.34 0.81 0.08 2.33 5.08 -1.80 -0.43 114.58 120.99 3ig4 h GLU 407 Ca 0.01 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3ig4 h GLU 407 Cb 1.05 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3ig4 h GLU 407 CO 0.09 0.82 -0.04 0.82 -1.00 0.00 0.00 179.01 179.70 3ig4 h ILE 408 N 0.75 1.18 -0.92 3.13 2.04 -1.19 -0.58 117.51 121.91 3ig4 h ILE 408 Ca 0.14 -1.28 0.11 0.00 1.00 0.00 0.00 64.86 64.83 3ig4 h ILE 408 Cb 0.47 1.97 -0.07 0.00 -0.74 0.00 0.00 36.82 38.44 3ig4 h ILE 408 CO 0.02 0.30 0.59 -0.33 0.00 0.00 0.00 178.15 178.73 3ig4 h GLU 409 N -0.73 0.86 -0.05 2.37 5.08 -1.42 -2.38 114.58 118.32 3ig4 h GLU 409 Ca -0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3ig4 h GLU 409 Cb 0.57 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3ig4 h GLU 409 CO 0.02 0.57 -0.03 1.49 -1.00 0.00 0.00 179.01 180.06 3ig4 h GLU 410 N 0.89 0.10 -0.69 2.33 4.57 -1.06 -2.18 114.58 118.55 3ig4 h GLU 410 Ca 0.44 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 3ig4 h GLU 410 Cb 0.47 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3ig4 h GLU 410 CO -0.20 0.50 0.00 0.34 -1.18 0.00 0.00 179.01 178.47 3ig4 n PHE 411 N -4.80 0.00 0.00 0.92 7.35 -0.23 -1.29 117.46 119.41 3ig4 n PHE 411 Ca -0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.62 3ig4 n PHE 411 Cb 0.25 -0.03 0.00 0.00 0.35 0.00 0.00 39.48 40.05 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 0.65 0.00 0.05 -4.13 0.63 -0.82 -0.60 116.66 112.43 3ig4 n ARG 413 Ca 0.00 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.94 3ig4 n ARG 413 Cb 0.00 0.00 0.33 0.00 0.45 0.00 0.00 32.46 33.24 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 0.40 0.00 -0.14 5.08 -1.47 -3.37 114.58 115.08 3ig4 h GLU 414 Ca 0.00 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 3ig4 h GLU 414 Cb 0.00 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3ig4 h GLU 414 CO 0.00 0.48 -1.44 0.09 -1.00 0.00 0.00 179.01 177.15 3ig4 n ASN 415 N -4.27 3.17 -4.56 1.42 4.13 0.23 -4.95 115.26 110.42 3ig4 n ASN 415 Ca 0.00 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.83 3ig4 n ASN 415 Cb 0.26 1.04 -0.04 0.00 -1.54 0.00 0.00 39.78 39.50 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 -3.40 6.48 0.20 6.41 3.84 -1.26 -4.79 114.94 122.41 3ig4 s ASN 416 Ca -0.03 0.07 0.01 0.00 0.21 0.00 0.00 52.86 53.12 3ig4 s ASN 416 Cb 0.04 -2.46 0.48 0.00 -0.55 0.00 0.00 41.25 38.76 3ig4 s ASN 416 CO 0.32 -1.11 0.99 0.52 -2.79 0.00 0.00 177.10 175.03 3ig4 n VAL 417 N 6.43 -0.27 -2.66 -5.21 0.31 -1.24 -2.58 118.33 113.11 3ig4 n VAL 417 Ca 0.06 1.39 -0.35 0.00 -0.01 0.00 0.00 64.34 65.43 3ig4 n VAL 417 Cb 0.48 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 3ig4 n VAL 417 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3ig4 n ASN 418 N -4.83 6.25 0.00 4.52 2.04 -1.26 -5.20 115.26 116.77 3ig4 n ASN 418 Ca 0.15 -3.71 0.00 0.00 -0.44 0.00 0.00 54.58 50.58 3ig4 n ASN 418 Cb 0.48 -0.91 0.00 0.00 -2.53 0.00 0.00 39.78 36.82 3ig4 n ASN 418 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34