#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ig5 s LEU 3 N 0.00 4.01 0.20 0.99 1.43 -1.26 -4.38 118.68 119.67 3ig5 s LEU 3 Ca 0.00 1.20 -0.30 0.00 -1.03 0.00 0.00 54.13 54.00 3ig5 s LEU 3 Cb 0.00 -4.02 -0.08 0.00 0.03 0.00 0.00 46.19 42.12 3ig5 s LEU 3 CO 0.00 -0.25 1.17 -0.22 0.23 0.00 0.00 176.35 177.28 3ig5 s LEU 4 N -3.21 4.47 0.46 1.79 2.96 -1.26 -5.01 118.68 118.87 3ig5 s LEU 4 Ca 0.53 2.23 -0.24 0.00 -0.22 0.00 0.00 54.13 56.42 3ig5 s LEU 4 Cb -0.10 -3.61 -0.08 0.00 0.50 0.00 0.00 46.19 42.90 3ig5 s LEU 4 CO 0.22 -0.32 1.34 0.00 -1.32 0.00 0.00 176.35 176.27 3ig5 n ALA 5 N 2.25 1.62 -2.00 5.97 0.00 -1.26 -5.03 120.51 122.06 3ig5 n ALA 5 Ca 0.03 0.22 -0.31 0.00 0.00 0.00 0.00 53.44 53.38 3ig5 n ALA 5 Cb 0.45 -2.33 -0.04 0.00 0.00 0.00 0.00 19.45 17.53 3ig5 n ALA 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ig5 s LEU 6 N -2.41 3.76 0.00 0.00 1.02 -1.26 -5.00 118.68 114.79 3ig5 s LEU 6 Ca 0.63 1.38 0.00 0.00 0.02 0.00 0.00 54.13 56.16 3ig5 s LEU 6 Cb -0.46 -4.28 0.00 0.00 0.02 0.00 0.00 46.19 41.47 3ig5 s LEU 6 CO 0.56 -0.47 0.00 0.61 0.02 0.00 0.00 176.35 177.07 3ig5 n GLY 7 N -1.31 -1.87 3.21 -3.19 0.00 -1.26 -5.10 105.19 95.67 3ig5 n GLY 7 Ca 0.05 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.53 3ig5 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ig5 s THR 8 N -2.01 3.99 0.41 2.61 2.01 -1.26 -4.98 115.64 116.41 3ig5 s THR 8 Ca 0.00 -1.67 -0.24 0.00 0.31 0.00 0.00 61.69 60.08 3ig5 s THR 8 Cb 0.00 -3.56 -0.09 0.00 0.01 0.00 0.00 72.50 68.86 3ig5 s THR 8 CO 0.00 -0.63 1.10 -2.16 -0.69 0.00 0.00 174.62 172.24 3ig5 s PRO 9 N 1.34 4.08 -0.05 4.92 0.04 -1.26 -1.83 135.00 142.23 3ig5 s PRO 9 Ca 0.05 1.63 -0.20 0.00 0.04 0.00 0.00 61.00 62.52 3ig5 s PRO 9 Cb -0.24 -2.56 -0.05 0.00 0.04 0.00 0.00 34.50 31.69 3ig5 s PRO 9 CO -0.00 -0.24 0.57 -0.51 0.04 0.00 0.00 177.00 176.86 3ig5 s LEU 10 N -2.65 4.35 0.72 -3.56 1.43 -0.27 -4.88 118.68 113.83 3ig5 s LEU 10 Ca 0.58 1.05 -0.11 0.00 -1.03 0.00 0.00 54.13 54.62 3ig5 s LEU 10 Cb -0.25 -2.87 0.03 0.00 0.03 0.00 0.00 46.19 43.12 3ig5 s LEU 10 CO 0.31 0.03 1.07 -1.10 0.23 0.00 0.00 176.35 176.90 3ig5 s GLN 11 N 0.24 2.69 0.19 1.70 -1.52 -1.26 -4.62 119.66 117.08 3ig5 s GLN 11 Ca 0.30 0.94 -0.14 0.00 -1.95 0.00 0.00 55.36 54.51 3ig5 s GLN 11 Cb -0.17 -1.96 0.20 0.00 -0.22 0.00 0.00 33.01 30.86 3ig5 s GLN 11 CO 0.15 -1.27 1.66 2.35 -0.25 0.00 0.00 175.29 177.92 3ig5 h TRP 12 N -0.85 -0.18 0.00 0.91 2.91 -1.91 0.16 115.95 116.99 3ig5 h TRP 12 Ca -0.44 0.04 -0.03 0.00 1.13 0.00 0.00 58.89 59.59 3ig5 h TRP 12 Cb 1.22 0.16 -0.00 0.00 -0.51 0.00 0.00 29.16 30.03 3ig5 h TRP 12 CO 0.59 -0.19 -0.13 0.74 -1.03 0.00 0.00 178.44 178.41 3ig5 h PHE 13 N 0.05 0.00 0.00 2.65 0.04 -1.94 -0.04 116.94 117.70 3ig5 h PHE 13 Ca 0.27 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.90 3ig5 h PHE 13 Cb 0.41 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 3ig5 h PHE 13 CO -0.40 0.13 -0.84 0.93 -0.60 0.00 0.00 178.31 177.54 3ig5 h GLU 14 N 0.00 0.00 0.00 1.51 3.07 -1.37 -3.39 114.58 114.39 3ig5 h GLU 14 Ca -0.00 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.54 3ig5 h GLU 14 Cb 0.28 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.13 3ig5 h GLU 14 CO 0.02 0.48 -2.23 -1.13 -1.40 0.00 0.00 179.01 174.75 3ig5 n SER 15 N -3.13 0.14 0.14 1.42 3.41 -0.39 -4.30 113.62 110.91 3ig5 n SER 15 Ca -0.02 0.07 0.15 0.00 -0.26 0.00 0.00 58.87 58.81 3ig5 n SER 15 Cb 0.79 0.92 0.71 0.00 -0.26 0.00 0.00 64.21 66.36 3ig5 n SER 15 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3ig5 h ARG 16 N 0.00 0.00 0.00 4.33 0.11 -1.27 0.42 114.38 117.97 3ig5 h ARG 16 Ca -0.46 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.62 3ig5 h ARG 16 Cb 2.09 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 33.17 3ig5 h ARG 16 CO 0.03 0.00 -0.02 0.00 0.10 0.00 0.00 179.97 180.08 3ig5 h THR 17 N 0.00 0.22 -0.70 0.08 1.03 -1.81 -2.22 112.91 109.51 3ig5 h THR 17 Ca 0.12 -0.19 0.00 0.00 -0.01 0.00 0.00 66.41 66.34 3ig5 h THR 17 Cb 0.52 1.15 0.00 0.00 -1.07 0.00 0.00 68.15 68.75 3ig5 h THR 17 CO -0.00 0.02 0.00 -1.22 -0.01 0.00 0.00 175.52 174.31 3ig5 n TYR 18 N -3.34 0.93 0.11 0.00 4.01 0.14 -4.62 117.16 114.39 3ig5 n TYR 18 Ca -0.02 -0.46 -0.14 0.00 -0.16 0.00 0.00 57.90 57.12 3ig5 n TYR 18 Cb 0.14 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.11 3ig5 n TYR 18 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 3ig5 h ASN 19 N 4.21 -1.09 -0.43 7.72 2.35 -1.47 0.17 115.58 127.04 3ig5 h ASN 19 Ca 0.00 0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 3ig5 h ASN 19 Cb 0.96 0.41 -0.02 0.00 0.05 0.00 0.00 38.32 39.72 3ig5 h ASN 19 CO 0.00 -0.45 0.15 -0.08 -1.65 0.00 0.00 177.43 175.39 3ig5 h GLU 20 N -0.60 0.72 -0.07 0.81 4.57 -1.82 -1.43 114.58 116.77 3ig5 h GLU 20 Ca 0.03 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3ig5 h GLU 20 Cb 0.63 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 3ig5 h GLU 20 CO -0.22 0.64 0.04 1.25 -1.18 0.00 0.00 179.01 179.53 3ig5 h HIS 21 N 0.71 0.09 -0.56 0.92 2.76 -1.56 -1.20 115.15 116.31 3ig5 h HIS 21 Ca 0.16 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.24 3ig5 h HIS 21 Cb 0.22 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.13 3ig5 h HIS 21 CO 0.01 0.08 -0.01 0.82 -1.30 0.00 0.00 177.93 177.53 3ig5 h ILE 22 N 0.07 1.26 -0.01 6.26 2.04 -0.21 -1.45 117.51 125.47 3ig5 h ILE 22 Ca 0.02 -1.13 -0.00 0.00 1.00 0.00 0.00 64.86 64.75 3ig5 h ILE 22 Cb 0.02 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3ig5 h ILE 22 CO -0.00 0.41 0.01 0.03 0.00 0.00 0.00 178.15 178.59 3ig5 h ARG 23 N 0.90 0.02 -0.01 2.37 3.08 -1.12 -1.88 114.38 117.73 3ig5 h ARG 23 Ca 0.16 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.24 3ig5 h ARG 23 Cb 0.55 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.54 3ig5 h ARG 23 CO 0.03 0.12 -0.45 -0.44 -1.07 0.00 0.00 179.97 178.16 3ig5 h ASP 24 N -0.09 -1.38 0.01 7.04 3.32 -1.01 -0.35 116.42 123.97 3ig5 h ASP 24 Ca 0.00 0.16 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 3ig5 h ASP 24 Cb 0.10 0.54 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 3ig5 h ASP 24 CO -0.00 -0.47 -0.20 -0.33 -1.72 0.00 0.00 179.24 176.52 3ig5 h GLU 25 N -0.60 0.34 -0.14 3.56 4.39 -1.30 -2.20 114.58 118.64 3ig5 h GLU 25 Ca 0.04 -0.11 -0.12 0.00 0.34 0.00 0.00 59.36 59.51 3ig5 h GLU 25 Cb 0.67 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 3ig5 h GLU 25 CO -0.34 0.54 -0.45 0.78 -1.16 0.00 0.00 179.01 178.38 3ig5 h GLY 26 N 0.93 0.37 0.92 -3.84 0.00 -0.90 -0.15 103.07 100.40 3ig5 h GLY 26 Ca 0.05 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 3ig5 h GLY 26 CO 0.04 0.34 0.07 -2.22 0.00 0.00 0.00 176.54 174.77 3ig5 h ILE 27 N 0.28 1.23 -0.71 2.60 1.08 -0.48 0.15 117.51 121.66 3ig5 h ILE 27 Ca 0.02 -0.82 0.02 0.00 -0.39 0.00 0.00 64.86 63.70 3ig5 h ILE 27 Cb 0.90 1.07 -0.04 0.00 -3.07 0.00 0.00 36.82 35.68 3ig5 h ILE 27 CO 0.07 0.28 0.46 -0.33 -0.69 0.00 0.00 178.15 177.94 3ig5 h GLU 28 N 0.44 0.88 -0.65 2.37 4.39 -1.31 0.21 114.58 120.91 3ig5 h GLU 28 Ca 0.11 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.77 3ig5 h GLU 28 Cb 0.34 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 3ig5 h GLU 28 CO 0.01 0.58 0.42 1.96 -1.16 0.00 0.00 179.01 180.81 3ig5 h GLN 29 N 0.91 0.81 -0.61 2.33 4.20 -0.59 -1.36 115.11 120.80 3ig5 h GLN 29 Ca 0.28 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.98 3ig5 h GLN 29 Cb -0.02 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.53 3ig5 h GLN 29 CO -0.09 0.54 0.36 1.25 -0.67 0.00 0.00 178.83 180.21 3ig5 h LEU 30 N 0.84 0.56 -0.65 1.46 5.85 0.22 -0.41 115.31 123.18 3ig5 h LEU 30 Ca 0.25 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.99 3ig5 h LEU 30 Cb -0.05 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3ig5 h LEU 30 CO -0.07 0.38 0.43 -0.07 -0.34 0.00 0.00 178.44 178.77 3ig5 h LEU 31 N 0.69 0.74 -1.38 2.25 3.38 -0.47 -1.02 115.31 119.50 3ig5 h LEU 31 Ca 0.25 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 3ig5 h LEU 31 Cb 0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3ig5 h LEU 31 CO -0.13 0.53 0.11 1.88 0.09 0.00 0.00 178.44 180.93 3ig5 h TYR 32 N 0.87 0.53 0.12 1.13 0.05 -0.56 0.21 116.97 119.32 3ig5 h TYR 32 Ca 0.24 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.99 3ig5 h TYR 32 Cb -0.10 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.48 3ig5 h TYR 32 CO -0.03 0.45 -0.06 0.82 -1.05 0.00 0.00 178.16 178.29 3ig5 h ILE 33 N 0.52 0.89 -0.42 -2.88 2.04 -0.28 0.59 117.51 117.97 3ig5 h ILE 33 Ca 0.13 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.98 3ig5 h ILE 33 Cb 0.17 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3ig5 h ILE 33 CO -0.01 0.01 0.22 -0.26 0.00 0.00 0.00 178.15 178.11 3ig5 h PHE 34 N -0.18 0.41 -0.32 1.37 0.04 -0.63 0.27 116.94 117.91 3ig5 h PHE 34 Ca -0.02 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.81 3ig5 h PHE 34 Cb 0.14 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 3ig5 h PHE 34 CO -0.07 0.22 0.10 0.37 -0.60 0.00 0.00 178.31 178.34 3ig5 h GLN 35 N 0.45 0.23 -0.10 1.51 4.15 -0.41 0.58 115.11 121.52 3ig5 h GLN 35 Ca 0.18 -0.01 -0.23 0.00 0.77 0.00 0.00 58.65 59.35 3ig5 h GLN 35 Cb 0.06 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 27.71 3ig5 h GLN 35 CO -0.11 0.15 -0.85 0.00 -1.93 0.00 0.00 178.83 176.10 3ig5 h ALA 36 N 1.20 0.30 -0.00 3.38 0.00 -0.54 -3.40 119.26 120.21 3ig5 h ALA 36 Ca 0.14 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3ig5 h ALA 36 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ig5 h ALA 36 CO -0.15 0.70 -0.06 0.00 0.00 0.00 0.00 179.25 179.74 3ig5 n ALA 37 N -2.60 2.42 -0.16 0.00 0.00 0.93 -4.26 120.51 116.84 3ig5 n ALA 37 Ca -0.08 -0.31 0.27 0.00 0.00 0.00 0.00 53.44 53.32 3ig5 n ALA 37 Cb 0.78 -0.09 0.70 0.00 0.00 0.00 0.00 19.45 20.84 3ig5 n ALA 37 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ig5 h GLY 38 N 0.58 0.09 -2.30 0.00 0.00 -0.96 -1.73 103.07 98.75 3ig5 h GLY 38 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3ig5 h GLY 38 CO 0.00 -0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 3ig5 n LYS 39 N -4.31 3.18 -1.54 4.80 5.02 -1.26 -4.70 118.16 119.35 3ig5 n LYS 39 Ca 0.17 -2.60 -0.39 0.00 -2.02 0.00 0.00 58.31 53.48 3ig5 n LYS 39 Cb 0.89 -1.64 0.03 0.00 -0.02 0.00 0.00 35.03 34.30 3ig5 n LYS 39 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ig5 n ARG 40 N 0.88 0.79 -3.62 1.97 1.74 -0.65 -4.89 116.66 112.88 3ig5 n ARG 40 Ca 0.21 0.30 -0.11 0.00 -0.77 0.00 0.00 57.85 57.48 3ig5 n ARG 40 Cb 0.70 -1.89 -0.05 0.00 -1.02 0.00 0.00 32.46 30.21 3ig5 n ARG 40 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3ig5 s ASP 41 N -1.09 -0.26 -1.64 0.55 -1.08 -1.26 -4.51 116.67 107.38 3ig5 s ASP 41 Ca 0.69 -0.27 0.00 0.00 -0.52 0.00 0.00 52.55 52.45 3ig5 s ASP 41 Cb -0.47 0.48 0.00 0.00 -1.46 0.00 0.00 42.92 41.46 3ig5 s ASP 41 CO 0.53 -0.84 0.00 0.59 0.52 0.00 0.00 175.17 175.97 3ig5 n ASN 42 N -0.17 -4.93 -4.73 -0.34 4.13 -0.99 -4.96 115.26 103.26 3ig5 n ASN 42 Ca -0.16 0.29 -0.42 0.00 1.68 0.00 0.00 54.58 55.97 3ig5 n ASN 42 Cb 0.63 -3.92 -0.03 0.00 -1.54 0.00 0.00 39.78 34.93 3ig5 n ASN 42 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3ig5 s ASP 43 N -2.68 6.73 0.79 6.41 1.01 -1.01 -4.98 116.67 122.94 3ig5 s ASP 43 Ca 0.00 2.53 -0.11 0.00 0.71 0.00 0.00 52.55 55.68 3ig5 s ASP 43 Cb 0.00 -2.61 0.07 0.00 1.01 0.00 0.00 42.92 41.39 3ig5 s ASP 43 CO 0.00 -0.67 1.09 -2.84 0.21 0.00 0.00 175.17 172.96 3ig5 s PRO 44 N 0.21 2.10 -1.31 8.23 0.02 -1.26 -3.73 135.00 139.27 3ig5 s PRO 44 Ca 0.61 0.77 -0.13 0.00 0.02 0.00 0.00 61.00 62.27 3ig5 s PRO 44 Cb -0.40 -1.91 0.12 0.00 0.02 0.00 0.00 34.50 32.33 3ig5 s PRO 44 CO 0.38 -1.64 1.81 -0.11 -0.33 0.00 0.00 177.00 177.10 3ig5 n LEU 45 N -3.47 5.95 -4.75 -5.54 7.94 -1.26 -4.67 117.00 111.21 3ig5 n LEU 45 Ca 0.07 -4.33 -0.40 0.00 -1.11 0.00 0.00 56.01 50.24 3ig5 n LEU 45 Cb 0.55 -1.61 -0.05 0.00 0.53 0.00 0.00 43.42 42.84 3ig5 n LEU 45 CO 0.56 0.88 0.68 -0.36 -1.11 0.00 0.00 177.39 178.05 3ig5 s PHE 46 N 2.13 3.88 0.22 1.96 0.08 -1.26 -1.12 117.98 123.87 3ig5 s PHE 46 Ca 0.45 1.85 -0.12 0.00 0.12 0.00 0.00 56.93 59.23 3ig5 s PHE 46 Cb 0.06 -3.05 -0.00 0.00 -0.57 0.00 0.00 43.02 39.46 3ig5 s PHE 46 CO -0.00 0.21 0.43 1.67 -0.10 0.00 0.00 175.22 177.43 3ig5 s TRP 47 N -0.98 0.31 -0.13 0.36 1.48 -0.20 -1.09 118.94 118.69 3ig5 s TRP 47 Ca 0.43 -0.67 -0.30 0.00 -1.06 0.00 0.00 56.10 54.50 3ig5 s TRP 47 Cb -0.27 0.14 0.13 0.00 -1.16 0.00 0.00 33.47 32.31 3ig5 s TRP 47 CO 0.33 -0.91 1.02 0.20 -4.06 0.00 0.00 176.95 173.53 3ig5 s GLY 48 N -2.99 -0.30 0.42 3.67 0.00 -0.68 0.61 107.32 108.05 3ig5 s GLY 48 Ca 0.19 1.78 0.08 0.00 0.00 0.00 0.00 44.72 46.78 3ig5 s GLY 48 CO 0.05 0.81 0.50 0.51 0.00 0.00 0.00 173.10 174.97 3ig5 s ASP 49 N -1.55 5.45 -0.13 1.64 -4.77 -1.26 -1.41 116.67 114.64 3ig5 s ASP 49 Ca 0.02 -0.53 -0.04 0.00 -3.30 0.00 0.00 52.55 48.70 3ig5 s ASP 49 Cb -0.01 -0.65 0.06 0.00 -1.09 0.00 0.00 42.92 41.24 3ig5 s ASP 49 CO -0.02 -0.71 0.16 -0.70 0.70 0.00 0.00 175.17 174.60 3ig5 s GLU 50 N -4.27 0.07 0.13 2.11 2.12 0.02 -4.26 118.70 114.63 3ig5 s GLU 50 Ca 0.52 0.37 0.06 0.00 0.36 0.00 0.00 54.97 56.28 3ig5 s GLU 50 Cb -0.08 -0.76 -0.04 0.00 0.26 0.00 0.00 34.13 33.51 3ig5 s GLU 50 CO 0.31 -0.45 0.00 -0.51 -0.54 0.00 0.00 175.26 174.07 3ig5 s LEU 51 N 2.27 3.40 -0.02 2.70 1.43 -0.80 -1.82 118.68 125.84 3ig5 s LEU 51 Ca 0.04 -0.27 0.07 0.00 -1.03 0.00 0.00 54.13 52.94 3ig5 s LEU 51 Cb -0.14 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 3ig5 s LEU 51 CO -0.08 0.13 -0.23 -1.61 0.23 0.00 0.00 176.35 174.80 3ig5 s GLU 52 N -2.61 1.95 0.11 1.70 2.02 -1.22 -1.56 118.70 119.09 3ig5 s GLU 52 Ca 0.26 -0.82 0.08 0.00 0.02 0.00 0.00 54.97 54.51 3ig5 s GLU 52 Cb -0.11 -1.84 -0.04 0.00 0.10 0.00 0.00 34.13 32.25 3ig5 s GLU 52 CO 0.18 0.47 -0.14 0.71 0.02 0.00 0.00 175.26 176.50 3ig5 s TYR 53 N -0.47 2.64 -0.14 1.61 2.02 0.67 -4.61 117.35 119.06 3ig5 s TYR 53 Ca 0.07 -0.21 -0.01 0.00 -0.37 0.00 0.00 57.07 56.55 3ig5 s TYR 53 Cb -0.10 -1.39 -0.02 0.00 -0.40 0.00 0.00 41.96 40.06 3ig5 s TYR 53 CO -0.00 0.41 -0.11 -1.64 -1.57 0.00 0.00 175.55 172.63 3ig5 s MET 54 N -2.18 3.43 -0.30 -0.62 -1.94 0.97 -1.67 119.30 116.98 3ig5 s MET 54 Ca 0.20 -0.66 -0.29 0.00 -1.71 0.00 0.00 55.69 53.23 3ig5 s MET 54 Cb -0.11 -2.70 0.01 0.00 2.01 0.00 0.00 34.83 34.05 3ig5 s MET 54 CO 0.12 0.19 1.10 0.08 -0.01 0.00 0.00 175.02 176.50 3ig5 s VAL 55 N 0.43 4.48 -0.11 -6.03 1.01 0.28 -0.77 120.40 119.68 3ig5 s VAL 55 Ca -0.09 1.71 -0.01 0.00 0.00 0.00 0.00 61.98 63.60 3ig5 s VAL 55 Cb -0.16 -4.36 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 3ig5 s VAL 55 CO 0.05 -0.43 -0.08 -0.69 0.00 0.00 0.00 175.10 173.94 3ig5 s VAL 56 N 3.67 3.57 -0.45 2.92 1.01 0.11 -0.54 120.40 130.69 3ig5 s VAL 56 Ca 0.47 -0.50 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 3ig5 s VAL 56 Cb -0.13 -2.50 0.06 0.00 0.00 0.00 0.00 36.38 33.80 3ig5 s VAL 56 CO 0.15 0.55 0.36 -0.62 0.00 0.00 0.00 175.10 175.54 3ig5 s ASP 57 N -0.14 6.11 -0.29 3.32 -1.08 0.17 -1.22 116.67 123.53 3ig5 s ASP 57 Ca 0.01 -1.21 -0.27 0.00 -0.52 0.00 0.00 52.55 50.56 3ig5 s ASP 57 Cb -0.13 -2.17 0.01 0.00 -1.46 0.00 0.00 42.92 39.17 3ig5 s ASP 57 CO 0.03 -0.58 0.98 -0.36 0.52 0.00 0.00 175.17 175.76 3ig5 s PHE 58 N 1.64 3.21 -0.93 -5.34 0.08 0.76 -1.11 117.98 116.29 3ig5 s PHE 58 Ca 0.04 1.15 -0.15 0.00 0.12 0.00 0.00 56.93 58.10 3ig5 s PHE 58 Cb -0.23 -3.46 0.20 0.00 -0.57 0.00 0.00 43.02 38.97 3ig5 s PHE 58 CO 0.07 -0.64 0.97 0.34 -0.10 0.00 0.00 175.22 175.86 3ig5 s ASP 59 N 1.54 6.84 0.26 1.36 -1.08 0.16 -1.97 116.67 123.77 3ig5 s ASP 59 Ca 0.41 -2.68 0.00 0.00 -0.52 0.00 0.00 52.55 49.77 3ig5 s ASP 59 Cb -0.13 -2.28 0.33 0.00 -1.46 0.00 0.00 42.92 39.38 3ig5 s ASP 59 CO 0.12 -0.67 1.69 0.44 0.52 0.00 0.00 175.17 177.26 3ig5 h ASP 60 N 7.84 0.57 -0.89 -0.34 3.32 -1.81 -0.39 116.42 124.73 3ig5 h ASP 60 Ca 0.15 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 3ig5 h ASP 60 Cb 1.00 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.35 3ig5 h ASP 60 CO 0.92 0.82 0.47 0.50 -1.72 0.00 0.00 179.24 180.23 3ig5 h LYS 61 N 0.50 1.25 -0.16 3.56 1.63 -1.92 -2.81 116.57 118.62 3ig5 h LYS 61 Ca 0.07 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 3ig5 h LYS 61 Cb 0.71 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 3ig5 h LYS 61 CO 0.05 0.93 0.00 0.39 -3.45 0.00 0.00 179.45 177.37 3ig5 n GLU 62 N -4.32 1.94 -4.04 1.90 -0.58 -0.96 -4.95 120.64 109.62 3ig5 n GLU 62 Ca 0.09 -1.39 -0.27 0.00 -0.42 0.00 0.00 57.16 55.17 3ig5 n GLU 62 Cb 0.11 -1.45 -0.04 0.00 -0.57 0.00 0.00 31.44 29.50 3ig5 n GLU 62 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3ig5 n ARG 63 N 0.64 -2.57 -4.30 3.49 1.74 -0.21 -4.99 116.66 110.46 3ig5 n ARG 63 Ca 0.17 0.32 -0.23 0.00 -0.77 0.00 0.00 57.85 57.34 3ig5 n ARG 63 Cb 0.42 -4.23 -0.17 0.00 -1.02 0.00 0.00 32.46 27.46 3ig5 n ARG 63 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3ig5 s ASN 64 N -4.34 1.53 -0.18 0.55 2.47 -0.85 -4.30 114.94 109.82 3ig5 s ASN 64 Ca 0.02 -0.23 -0.02 0.00 0.42 0.00 0.00 52.86 53.05 3ig5 s ASN 64 Cb -0.01 -0.68 -0.01 0.00 -1.45 0.00 0.00 41.25 39.10 3ig5 s ASN 64 CO 0.92 -0.03 -0.08 -0.94 -3.72 0.00 0.00 177.10 173.24 3ig5 s SER 65 N 0.97 4.14 0.31 -4.21 1.04 -1.26 0.35 113.70 115.04 3ig5 s SER 65 Ca -0.10 -0.38 0.09 0.00 0.48 0.00 0.00 55.95 56.05 3ig5 s SER 65 Cb -0.15 -1.68 -0.05 0.00 0.10 0.00 0.00 66.02 64.25 3ig5 s SER 65 CO 0.00 0.05 0.03 -0.04 0.98 0.00 0.00 173.24 174.27 3ig5 s MET 66 N 1.03 2.21 0.15 4.02 -1.94 -0.26 -4.84 119.30 119.67 3ig5 s MET 66 Ca -0.00 -1.59 -0.30 0.00 -1.71 0.00 0.00 55.69 52.09 3ig5 s MET 66 Cb -0.15 -2.07 -0.07 0.00 2.01 0.00 0.00 34.83 34.55 3ig5 s MET 66 CO -0.01 0.21 1.19 -0.51 -0.01 0.00 0.00 175.02 175.89 3ig5 s LEU 67 N -3.73 4.43 -0.41 -0.03 1.43 0.52 0.42 118.68 121.32 3ig5 s LEU 67 Ca 0.34 2.17 -0.21 0.00 -1.03 0.00 0.00 54.13 55.40 3ig5 s LEU 67 Cb -0.03 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.61 3ig5 s LEU 67 CO 0.20 -0.38 0.67 -0.62 0.23 0.00 0.00 176.35 176.45 3ig5 s ASP 68 N 0.35 6.39 -0.81 2.29 -1.08 0.30 -2.65 116.67 121.46 3ig5 s ASP 68 Ca 0.54 -0.09 0.02 0.00 -0.52 0.00 0.00 52.55 52.50 3ig5 s ASP 68 Cb -0.32 -2.34 0.33 0.00 -1.46 0.00 0.00 42.92 39.13 3ig5 s ASP 68 CO 0.34 -0.73 1.37 1.33 0.52 0.00 0.00 175.17 178.00 3ig5 n VAL 69 N 5.80 4.54 0.00 1.11 0.24 -1.26 -4.18 118.33 124.58 3ig5 n VAL 69 Ca -0.01 -5.77 0.00 0.00 -2.04 0.00 0.00 64.34 56.52 3ig5 n VAL 69 Cb 0.48 -1.52 0.00 0.00 -1.47 0.00 0.00 33.84 31.33 3ig5 n VAL 69 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3ig5 n HIS 71 N -0.05 0.00 0.51 6.34 8.25 -1.26 -4.93 115.22 124.07 3ig5 n HIS 71 Ca 0.38 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.95 3ig5 n HIS 71 Cb 0.33 0.00 0.45 0.00 1.12 0.00 0.00 29.99 31.89 3ig5 n HIS 71 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3ig5 n ASP 72 N 0.00 0.50 0.33 0.41 5.75 -1.26 -2.03 116.55 120.25 3ig5 n ASP 72 Ca 0.00 0.60 0.22 0.00 -0.01 0.00 0.00 54.79 55.60 3ig5 n ASP 72 Cb 0.00 -0.72 1.18 0.00 -1.03 0.00 0.00 41.12 40.55 3ig5 n ASP 72 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 3ig5 h LYS 73 N 0.00 0.00 -1.05 0.11 2.10 -1.97 -2.68 116.57 113.09 3ig5 h LYS 73 Ca 0.00 0.00 0.27 0.00 -2.00 0.00 0.00 60.65 58.92 3ig5 h LYS 73 Cb 0.42 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.65 3ig5 h LYS 73 CO 0.00 0.00 0.67 0.97 -2.00 0.00 0.00 179.45 179.09 3ig5 h ILE 74 N 0.00 0.51 -0.04 0.07 2.10 -1.85 -0.33 117.51 117.97 3ig5 h ILE 74 Ca 0.00 -0.13 -0.17 0.00 1.08 0.00 0.00 64.86 65.64 3ig5 h ILE 74 Cb 0.02 0.08 -0.01 0.00 -1.09 0.00 0.00 36.82 35.83 3ig5 h ILE 74 CO 0.00 0.07 -0.72 -0.07 -1.08 0.00 0.00 178.15 176.35 3ig5 h LEU 75 N 0.39 0.25 -0.02 2.19 3.38 -1.74 -1.53 115.31 118.22 3ig5 h LEU 75 Ca 0.61 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 58.30 3ig5 h LEU 75 Cb 1.53 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 42.22 3ig5 h LEU 75 CO -0.31 0.88 -0.41 0.74 0.09 0.00 0.00 178.44 179.44 3ig5 h THR 76 N 0.14 1.47 -0.91 0.22 2.02 -1.30 -3.13 112.91 111.41 3ig5 h THR 76 Ca -0.02 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 65.22 3ig5 h THR 76 Cb 1.28 2.58 -0.04 0.00 -1.74 0.00 0.00 68.15 70.22 3ig5 h THR 76 CO 0.11 0.55 0.58 -0.33 0.37 0.00 0.00 175.52 176.80 3ig5 h GLU 77 N -0.25 1.22 0.00 6.66 5.08 -1.18 -1.15 114.58 124.96 3ig5 h GLU 77 Ca -0.05 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3ig5 h GLU 77 Cb 1.12 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3ig5 h GLU 77 CO 0.08 0.83 0.00 -0.07 -1.00 0.00 0.00 179.01 178.86 3ig5 h LEU 78 N 1.25 0.00 -2.44 1.33 3.38 -1.38 -0.51 115.31 116.94 3ig5 h LEU 78 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3ig5 h LEU 78 Cb -0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3ig5 h LEU 78 CO -0.07 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.05 3ig5 n ASN 79 N -2.80 3.21 0.00 -0.43 3.02 -0.52 -2.84 115.26 114.89 3ig5 n ASN 79 Ca 0.00 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 3ig5 n ASN 79 Cb 0.23 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 3ig5 n ASN 79 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3ig5 n MET 80 N 1.14 0.00 0.11 3.52 2.81 -0.68 -4.75 117.12 119.28 3ig5 n MET 80 Ca 0.16 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.17 3ig5 n MET 80 Cb 0.52 0.00 0.46 0.00 -0.71 0.00 0.00 33.22 33.49 3ig5 n MET 80 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 3ig5 n GLU 81 N 0.00 0.18 -0.17 0.03 0.00 -1.08 -2.22 120.64 117.38 3ig5 n GLU 81 Ca 0.00 0.34 0.06 0.00 0.00 0.00 0.00 57.16 57.56 3ig5 n GLU 81 Cb 0.00 -1.80 0.13 0.00 0.00 0.00 0.00 31.44 29.77 3ig5 n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3ig5 n ASP 82 N -2.13 2.77 0.06 -1.84 8.00 -0.25 -4.55 116.55 118.60 3ig5 n ASP 82 Ca 0.03 -2.44 0.01 0.00 0.71 0.00 0.00 54.79 53.10 3ig5 n ASP 82 Cb 0.27 -0.27 0.33 0.00 -0.02 0.00 0.00 41.12 41.43 3ig5 n ASP 82 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3ig5 h SER 83 N 1.01 0.35 -0.03 -2.24 0.87 -1.29 -2.13 113.55 110.09 3ig5 h SER 83 Ca 0.00 -0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.42 3ig5 h SER 83 Cb 0.88 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 3ig5 h SER 83 CO 0.05 0.49 -0.16 0.77 -0.53 0.00 0.00 176.83 177.45 3ig5 h SER 84 N 0.35 0.35 -0.50 6.23 4.64 -1.80 0.13 113.55 122.95 3ig5 h SER 84 Ca 0.07 -0.09 0.03 0.00 -0.47 0.00 0.00 61.79 61.33 3ig5 h SER 84 Cb 0.39 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 62.35 3ig5 h SER 84 CO 0.02 0.53 0.28 -0.07 -0.87 0.00 0.00 176.83 176.72 3ig5 h LEU 85 N 0.33 0.44 -0.09 5.97 3.38 -1.71 -2.10 115.31 121.53 3ig5 h LEU 85 Ca 0.06 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3ig5 h LEU 85 Cb 0.48 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3ig5 h LEU 85 CO 0.03 0.31 -0.02 0.00 0.09 0.00 0.00 178.44 178.84 3ig5 h GLU 87 N -0.16 -0.31 -0.17 0.00 5.08 -0.81 0.11 114.58 118.31 3ig5 h GLU 87 Ca 0.02 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 3ig5 h GLU 87 Cb 0.43 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3ig5 h GLU 87 CO 0.01 -0.21 0.42 0.00 -1.00 0.00 0.00 179.01 178.24 3ig5 h ALA 88 N 0.50 1.68 -0.33 3.43 0.00 -1.42 -1.27 119.26 121.85 3ig5 h ALA 88 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ig5 h ALA 88 Cb 0.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3ig5 h ALA 88 CO -0.04 -0.51 0.00 0.09 0.00 0.00 0.00 179.25 178.79 3ig5 n ASN 89 N -3.18 2.93 -3.82 0.00 3.02 0.18 -5.00 115.26 109.40 3ig5 n ASN 89 Ca 0.02 -2.04 -0.28 0.00 -0.03 0.00 0.00 54.58 52.25 3ig5 n ASN 89 Cb 0.52 -0.24 0.04 0.00 -0.61 0.00 0.00 39.78 39.49 3ig5 n ASN 89 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3ig5 n ASP 90 N 0.44 -5.31 -4.30 6.41 2.03 -0.08 -4.93 116.55 110.82 3ig5 n ASP 90 Ca 0.12 -0.70 -0.16 0.00 0.52 0.00 0.00 54.79 54.56 3ig5 n ASP 90 Cb 0.44 -4.21 -0.10 0.00 -0.72 0.00 0.00 41.12 36.53 3ig5 n ASP 90 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3ig5 s VAL 91 N -3.30 1.31 -0.08 5.18 -7.23 -0.75 -1.45 120.40 114.08 3ig5 s VAL 91 Ca 0.65 -2.10 -0.14 0.00 -1.81 0.00 0.00 61.98 58.58 3ig5 s VAL 91 Cb -0.31 -2.01 0.03 0.00 0.56 0.00 0.00 36.38 34.64 3ig5 s VAL 91 CO 0.80 -0.61 0.35 -0.55 -0.31 0.00 0.00 175.10 174.77 3ig5 s SER 92 N -3.24 -0.30 0.05 4.85 0.15 -0.11 -4.19 113.70 110.90 3ig5 s SER 92 Ca 0.21 0.45 0.09 0.00 0.70 0.00 0.00 55.95 57.39 3ig5 s SER 92 Cb 0.02 0.55 -0.03 0.00 -1.71 0.00 0.00 66.02 64.85 3ig5 s SER 92 CO 0.04 -0.29 -0.24 -0.36 1.20 0.00 0.00 173.24 173.59 3ig5 s PHE 93 N -0.53 2.12 0.04 3.44 0.40 -1.26 -1.00 117.98 121.19 3ig5 s PHE 93 Ca -0.06 -0.40 -0.04 0.00 -0.60 0.00 0.00 56.93 55.83 3ig5 s PHE 93 Cb -0.04 -1.26 -0.02 0.00 0.51 0.00 0.00 43.02 42.22 3ig5 s PHE 93 CO 0.02 0.12 0.06 -1.01 0.70 0.00 0.00 175.22 175.12 3ig5 s HIS 94 N -0.82 0.25 0.51 0.36 3.76 0.54 -1.40 115.29 118.49 3ig5 s HIS 94 Ca 0.10 -0.58 -0.20 0.00 -0.15 0.00 0.00 55.06 54.23 3ig5 s HIS 94 Cb -0.10 -0.18 -0.07 0.00 1.11 0.00 0.00 32.58 33.34 3ig5 s HIS 94 CO 0.02 -0.35 1.06 -1.25 -0.85 0.00 0.00 174.74 173.38 3ig5 s PRO 95 N -2.65 3.65 0.35 8.40 0.04 -1.26 -1.47 135.00 142.07 3ig5 s PRO 95 Ca -0.05 1.41 0.03 0.00 0.04 0.00 0.00 61.00 62.43 3ig5 s PRO 95 Cb -0.01 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 3ig5 s PRO 95 CO -0.05 -0.56 0.12 -1.21 0.04 0.00 0.00 177.00 175.33 3ig5 s GLU 96 N -3.31 1.74 0.24 4.56 0.41 -1.26 -4.80 118.70 116.28 3ig5 s GLU 96 Ca 0.68 -2.02 -0.05 0.00 -0.41 0.00 0.00 54.97 53.17 3ig5 s GLU 96 Cb -0.18 -0.53 0.46 0.00 -1.78 0.00 0.00 34.13 32.09 3ig5 s GLU 96 CO 0.23 -0.38 1.69 -0.92 -0.49 0.00 0.00 175.26 175.38 3ig5 h TYR 97 N 2.01 0.28 -3.42 1.61 3.20 -1.96 -3.41 116.97 115.28 3ig5 h TYR 97 Ca -0.37 0.04 -0.53 0.00 3.14 0.00 0.00 58.73 61.02 3ig5 h TYR 97 Cb 1.26 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.51 3ig5 h TYR 97 CO 1.08 -0.08 0.46 0.20 -1.64 0.00 0.00 178.16 178.18 3ig5 s GLY 98 N -3.53 2.76 0.58 1.82 0.00 -1.26 -0.83 107.32 106.85 3ig5 s GLY 98 Ca -0.13 0.72 0.29 0.00 0.00 0.00 0.00 44.72 45.60 3ig5 s GLY 98 CO 0.76 1.74 2.22 -0.09 0.00 0.00 0.00 173.10 177.73 3ig5 h ARG 99 N 6.05 0.00 -0.02 2.90 2.43 -0.65 -1.24 114.38 123.85 3ig5 h ARG 99 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3ig5 h ARG 99 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3ig5 h ARG 99 CO 0.75 0.02 -0.04 2.48 -1.51 0.00 0.00 179.97 181.67 3ig5 n TYR 100 N -3.84 0.00 -3.62 2.20 0.18 -1.26 -4.54 117.16 106.28 3ig5 n TYR 100 Ca -0.03 0.00 -0.28 0.00 1.88 0.00 0.00 57.90 59.47 3ig5 n TYR 100 Cb 0.11 -0.01 -0.03 0.00 -0.38 0.00 0.00 39.34 39.03 3ig5 n TYR 100 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 3ig5 s MET 101 N -2.06 3.55 0.02 -3.48 -1.94 -0.47 -0.56 119.30 114.36 3ig5 s MET 101 Ca 0.33 -0.24 0.06 0.00 -1.71 0.00 0.00 55.69 54.12 3ig5 s MET 101 Cb 0.20 -2.80 -0.02 0.00 2.01 0.00 0.00 34.83 34.23 3ig5 s MET 101 CO 0.35 0.37 -0.17 -0.51 -0.01 0.00 0.00 175.02 175.05 3ig5 s LEU 102 N -3.31 2.12 0.05 -0.03 1.43 -0.67 -4.57 118.68 113.71 3ig5 s LEU 102 Ca 0.40 -0.41 0.08 0.00 -1.03 0.00 0.00 54.13 53.17 3ig5 s LEU 102 Cb -0.11 -0.78 -0.03 0.00 0.03 0.00 0.00 46.19 45.30 3ig5 s LEU 102 CO 0.29 0.13 -0.23 -0.70 0.23 0.00 0.00 176.35 176.06 3ig5 s GLU 103 N -0.87 1.53 -0.05 1.70 2.12 -0.54 -0.24 118.70 122.35 3ig5 s GLU 103 Ca 0.05 -1.05 -0.14 0.00 0.36 0.00 0.00 54.97 54.18 3ig5 s GLU 103 Cb -0.07 -1.71 0.03 0.00 0.26 0.00 0.00 34.13 32.63 3ig5 s GLU 103 CO 0.01 0.44 0.33 0.00 -0.54 0.00 0.00 175.26 175.49 3ig5 s ALA 104 N -0.85 -0.82 0.10 6.30 0.00 -0.60 -0.34 121.76 125.55 3ig5 s ALA 104 Ca 0.10 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.60 3ig5 s ALA 104 Cb -0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 3ig5 s ALA 104 CO 0.02 -0.23 -0.01 0.95 0.00 0.00 0.00 175.76 176.49 3ig5 s THR 105 N -0.84 0.37 0.89 0.00 -4.23 -0.17 -1.90 115.64 109.77 3ig5 s THR 105 Ca -0.09 -1.89 -0.10 0.00 -1.18 0.00 0.00 61.69 58.43 3ig5 s THR 105 Cb -0.04 -1.78 0.13 0.00 1.34 0.00 0.00 72.50 72.15 3ig5 s THR 105 CO 0.03 -0.75 1.14 -2.16 -0.54 0.00 0.00 174.62 172.34 3ig5 s PRO 106 N -3.93 1.21 0.27 3.99 0.04 -1.26 -0.94 135.00 134.38 3ig5 s PRO 106 Ca 0.15 1.49 0.17 0.00 0.04 0.00 0.00 61.00 62.86 3ig5 s PRO 106 Cb 0.07 -1.75 0.08 0.00 0.04 0.00 0.00 34.50 32.93 3ig5 s PRO 106 CO -0.04 -2.48 1.34 0.00 0.04 0.00 0.00 177.00 175.87 3ig5 h ALA 107 N -1.76 0.72 -3.94 8.56 0.00 -1.45 -3.40 119.26 117.99 3ig5 h ALA 107 Ca -0.43 -0.40 -0.48 0.00 0.00 0.00 0.00 54.91 53.60 3ig5 h ALA 107 Cb 1.26 -0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.79 3ig5 h ALA 107 CO 0.43 0.51 -0.81 -1.12 0.00 0.00 0.00 179.25 178.26 3ig5 s SER 108 N -6.22 1.80 0.61 0.00 0.01 -1.26 -5.00 113.70 103.63 3ig5 s SER 108 Ca 0.03 -0.41 -0.19 0.00 1.31 0.00 0.00 55.95 56.69 3ig5 s SER 108 Cb 0.07 -0.15 -0.03 0.00 0.21 0.00 0.00 66.02 66.13 3ig5 s SER 108 CO 0.75 0.10 1.31 -2.16 0.41 0.00 0.00 173.24 173.65 3ig5 s PRO 109 N -0.91 2.79 0.59 12.44 0.04 -1.26 -4.99 135.00 143.69 3ig5 s PRO 109 Ca 0.04 2.12 -0.19 0.00 0.04 0.00 0.00 61.00 63.01 3ig5 s PRO 109 Cb -0.07 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 3ig5 s PRO 109 CO 0.01 -1.43 1.22 0.71 0.04 0.00 0.00 177.00 177.55 3ig5 s TYR 110 N -1.37 2.36 -0.22 0.56 2.02 0.20 -4.81 117.35 116.09 3ig5 s TYR 110 Ca 0.78 1.51 0.01 0.00 -0.37 0.00 0.00 57.07 59.00 3ig5 s TYR 110 Cb -0.38 -3.52 0.04 0.00 -0.40 0.00 0.00 41.96 37.69 3ig5 s TYR 110 CO 0.42 -2.32 -0.15 -1.17 -1.57 0.00 0.00 175.55 170.77 3ig5 s LEU 111 N -4.06 2.79 0.00 -1.29 2.96 -1.26 -1.03 118.68 116.79 3ig5 s LEU 111 Ca 0.78 -0.97 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 3ig5 s LEU 111 Cb -0.32 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 44.84 3ig5 s LEU 111 CO 0.34 -0.09 0.00 0.59 -1.32 0.00 0.00 176.35 175.87 3ig5 n ASN 112 N 4.55 0.00 -4.64 3.68 5.03 -0.28 -4.54 115.26 119.07 3ig5 n ASN 112 Ca -0.18 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 54.86 3ig5 n ASN 112 Cb 0.47 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.17 3ig5 n ASN 112 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 3ig5 s TYR 113 N 0.00 3.30 -0.16 3.10 6.14 -1.26 -4.92 117.35 123.55 3ig5 s TYR 113 Ca 0.00 0.99 0.04 0.00 0.64 0.00 0.00 57.07 58.74 3ig5 s TYR 113 Cb 0.00 -2.95 0.10 0.00 0.42 0.00 0.00 41.96 39.53 3ig5 s TYR 113 CO 0.00 -0.36 1.07 1.33 0.64 0.00 0.00 175.55 178.23 3ig5 n VAL 114 N 5.21 1.14 0.00 3.14 0.24 -1.26 -5.06 118.33 121.73 3ig5 n VAL 114 Ca 0.03 -1.17 0.00 0.00 -2.04 0.00 0.00 64.34 61.15 3ig5 n VAL 114 Cb 0.48 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 3ig5 n VAL 114 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ig5 n GLY 115 N -0.46 3.92 0.11 7.63 0.00 -1.26 -1.88 105.19 113.25 3ig5 n GLY 115 Ca 0.04 0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.29 3ig5 n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ig5 n SER 116 N 6.81 0.34 0.15 1.61 7.64 -1.26 -3.86 113.62 125.06 3ig5 n SER 116 Ca 0.00 -1.13 0.01 0.00 1.01 0.00 0.00 58.87 58.75 3ig5 n SER 116 Cb 0.00 -0.00 0.30 0.00 -1.01 0.00 0.00 64.21 63.50 3ig5 n SER 116 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3ig5 h TYR 117 N 0.53 0.08 -0.51 1.43 3.20 -1.68 -1.64 116.97 118.37 3ig5 h TYR 117 Ca 0.00 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.88 3ig5 h TYR 117 Cb 0.11 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 3ig5 h TYR 117 CO 0.00 0.47 0.30 0.28 -1.64 0.00 0.00 178.16 177.57 3ig5 h VAL 118 N 0.06 1.04 -0.25 1.81 2.07 -1.79 0.26 116.25 119.46 3ig5 h VAL 118 Ca 0.00 -0.21 -0.19 0.00 0.82 0.00 0.00 66.70 67.13 3ig5 h VAL 118 Cb 0.75 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3ig5 h VAL 118 CO 0.06 0.11 -0.60 -0.08 0.02 0.00 0.00 177.57 177.07 3ig5 h GLU 119 N 0.60 0.82 -0.44 1.57 4.81 -1.75 -0.32 114.58 119.87 3ig5 h GLU 119 Ca 0.21 -0.55 0.04 0.00 -0.13 0.00 0.00 59.36 58.92 3ig5 h GLU 119 Cb 0.04 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 3ig5 h GLU 119 CO -0.10 1.18 0.21 0.28 -0.73 0.00 0.00 179.01 179.85 3ig5 h VAL 120 N 0.61 0.96 -0.52 0.32 2.07 -0.78 -1.12 116.25 117.80 3ig5 h VAL 120 Ca -0.00 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 3ig5 h VAL 120 Cb 1.21 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3ig5 h VAL 120 CO 0.13 0.08 0.08 -1.13 0.02 0.00 0.00 177.57 176.75 3ig5 h ASN 121 N 0.43 0.82 -0.74 0.57 -0.73 -0.08 -1.93 115.58 113.93 3ig5 h ASN 121 Ca 0.19 -0.26 0.04 0.00 1.87 0.00 0.00 56.30 58.14 3ig5 h ASN 121 Cb 0.11 -0.22 -0.05 0.00 0.27 0.00 0.00 38.32 38.43 3ig5 h ASN 121 CO -0.14 0.87 0.46 0.24 -0.37 0.00 0.00 177.43 178.49 3ig5 h MET 122 N 0.74 0.85 -0.44 6.67 2.86 -0.91 -1.87 114.93 122.83 3ig5 h MET 122 Ca 0.16 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 3ig5 h MET 122 Cb 0.40 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 3ig5 h MET 122 CO 0.01 0.56 0.10 1.96 1.06 0.00 0.00 176.91 180.60 3ig5 h GLN 123 N 0.87 0.66 -0.47 1.72 4.20 -0.92 -1.37 115.11 119.80 3ig5 h GLN 123 Ca 0.31 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.83 3ig5 h GLN 123 Cb 0.08 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3ig5 h GLN 123 CO -0.13 0.61 0.04 -0.22 -0.67 0.00 0.00 178.83 178.45 3ig5 h LYS 124 N 0.64 0.81 -0.19 1.46 1.63 -0.85 -0.08 116.57 119.99 3ig5 h LYS 124 Ca 0.15 -0.24 0.04 0.00 -0.85 0.00 0.00 60.65 59.74 3ig5 h LYS 124 Cb 0.25 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.76 3ig5 h LYS 124 CO -0.00 0.84 -0.05 0.00 -3.45 0.00 0.00 179.45 176.79 3ig5 h ARG 125 N 0.67 -0.00 -0.64 1.90 3.08 -1.00 -1.25 114.38 117.13 3ig5 h ARG 125 Ca 0.14 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 3ig5 h ARG 125 Cb 0.45 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 3ig5 h ARG 125 CO 0.02 -0.00 0.13 -0.09 -1.07 0.00 0.00 179.97 178.96 3ig5 h ARG 126 N -0.00 1.05 -0.84 0.04 2.43 -1.05 -2.21 114.38 113.79 3ig5 h ARG 126 Ca 0.09 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 58.98 3ig5 h ARG 126 Cb 0.15 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 3ig5 h ARG 126 CO -0.20 0.96 0.47 0.00 -1.51 0.00 0.00 179.97 179.69 3ig5 h ALA 127 N 1.05 1.25 -0.15 2.80 0.00 -0.75 -1.28 119.26 122.17 3ig5 h ALA 127 Ca 0.20 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 3ig5 h ALA 127 Cb 0.40 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ig5 h ALA 127 CO 0.01 0.62 -0.72 0.82 0.00 0.00 0.00 179.25 179.97 3ig5 h ILE 128 N 1.18 1.31 -0.39 0.00 2.04 -0.95 0.89 117.51 121.58 3ig5 h ILE 128 Ca 0.30 -1.98 -0.00 0.00 1.00 0.00 0.00 64.86 64.18 3ig5 h ILE 128 Cb 0.01 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 3ig5 h ILE 128 CO -0.05 0.62 0.23 0.00 0.00 0.00 0.00 178.15 178.94 3ig5 h ALA 129 N 0.71 0.50 -0.39 1.87 0.00 -1.06 -0.91 119.26 119.98 3ig5 h ALA 129 Ca -0.03 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 3ig5 h ALA 129 Cb 1.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3ig5 h ALA 129 CO 0.14 0.01 -0.27 0.93 0.00 0.00 0.00 179.25 180.06 3ig5 h GLU 130 N 0.51 0.82 0.18 0.00 5.08 -1.14 -0.99 114.58 119.03 3ig5 h GLU 130 Ca 0.14 -0.36 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3ig5 h GLU 130 Cb 0.03 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3ig5 h GLU 130 CO -0.02 0.99 -0.30 -0.92 -1.00 0.00 0.00 179.01 177.76 3ig5 h TYR 131 N 0.70 -0.81 -0.68 4.33 5.03 -0.55 0.14 116.97 125.13 3ig5 h TYR 131 Ca 0.09 0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.49 3ig5 h TYR 131 Cb 0.80 0.33 -0.07 0.00 1.55 0.00 0.00 36.73 39.35 3ig5 h TYR 131 CO 0.04 -0.41 0.34 0.87 -1.32 0.00 0.00 178.16 177.68 3ig5 h LYS 132 N -0.56 0.57 -0.54 1.82 1.79 -0.97 -1.01 116.57 117.68 3ig5 h LYS 132 Ca 0.02 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.40 3ig5 h LYS 132 Cb 0.56 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 3ig5 h LYS 132 CO -0.14 0.38 0.11 -0.07 -1.08 0.00 0.00 179.45 178.65 3ig5 h LEU 133 N 0.59 0.79 -0.56 2.94 3.38 -0.81 -0.79 115.31 120.84 3ig5 h LEU 133 Ca 0.33 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 3ig5 h LEU 133 Cb 0.32 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3ig5 h LEU 133 CO -0.25 0.78 -0.23 0.77 0.09 0.00 0.00 178.44 179.60 3ig5 h SER 134 N 0.81 0.93 -0.07 -0.43 4.64 -0.06 -1.37 113.55 117.99 3ig5 h SER 134 Ca 0.17 -0.35 0.04 0.00 -0.47 0.00 0.00 61.79 61.18 3ig5 h SER 134 Cb 0.32 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 62.11 3ig5 h SER 134 CO 0.00 1.11 -0.22 -0.33 -0.87 0.00 0.00 176.83 176.52 3ig5 h GLU 135 N 0.78 -0.31 -0.14 4.77 4.39 -0.73 -1.67 114.58 121.67 3ig5 h GLU 135 Ca 0.10 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.83 3ig5 h GLU 135 Cb 0.79 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 3ig5 h GLU 135 CO 0.07 -0.20 0.09 1.88 -1.16 0.00 0.00 179.01 179.69 3ig5 h TYR 136 N -0.32 0.15 0.00 4.33 0.05 -1.01 0.13 116.97 120.30 3ig5 h TYR 136 Ca 0.08 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.79 3ig5 h TYR 136 Cb 0.43 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 3ig5 h TYR 136 CO -0.30 0.09 -0.36 0.00 -1.05 0.00 0.00 178.16 176.54 3ig5 h ALA 137 N 1.92 1.01 0.08 3.88 0.00 -0.50 0.43 119.26 126.07 3ig5 h ALA 137 Ca 0.05 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 3ig5 h ALA 137 Cb 0.03 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ig5 h ALA 137 CO -0.01 0.45 -0.56 0.00 0.00 0.00 0.00 179.25 179.14 3ig5 h ARG 138 N 0.00 0.24 0.49 0.00 3.08 -0.12 -2.30 114.38 115.77 3ig5 h ARG 138 Ca -0.00 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.67 3ig5 h ARG 138 Cb 0.88 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 3ig5 h ARG 138 CO 0.05 1.14 -0.37 1.96 -1.07 0.00 0.00 179.97 181.68 3ig5 h GLN 139 N -0.48 -0.81 -0.96 0.04 4.20 -1.21 -2.76 115.11 113.12 3ig5 h GLN 139 Ca -0.09 0.06 0.20 0.00 0.06 0.00 0.00 58.65 58.87 3ig5 h GLN 139 Cb 1.40 0.18 -0.09 0.00 0.30 0.00 0.00 27.48 29.28 3ig5 h GLN 139 CO 0.11 -0.54 0.61 -0.44 -0.67 0.00 0.00 178.83 177.90 3ig5 h ASP 140 N -0.84 0.58 0.52 1.46 3.32 -0.23 -0.61 116.42 120.63 3ig5 h ASP 140 Ca -0.05 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3ig5 h ASP 140 Cb 0.71 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.23 3ig5 h ASP 140 CO 0.01 0.22 -0.25 -1.28 -1.72 0.00 0.00 179.24 176.22 3ig5 h SER 141 N 0.57 -0.60 -0.30 6.45 0.87 -1.25 0.37 113.55 119.68 3ig5 h SER 141 Ca 0.53 -0.02 0.09 0.00 -1.23 0.00 0.00 61.79 61.15 3ig5 h SER 141 Cb 1.07 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 3ig5 h SER 141 CO -0.27 -0.35 0.23 0.11 -0.53 0.00 0.00 176.83 176.02 3ig5 h LYS 142 N -0.81 0.00 -0.61 2.24 1.57 -1.04 -1.29 116.57 116.63 3ig5 h LYS 142 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3ig5 h LYS 142 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3ig5 h LYS 142 CO 0.12 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.09 3ig5 n ASN 143 N -4.25 3.30 -3.77 0.86 5.03 -0.32 -4.98 115.26 111.13 3ig5 n ASN 143 Ca 0.04 -2.02 -0.28 0.00 0.87 0.00 0.00 54.58 53.19 3ig5 n ASN 143 Cb 0.40 -0.41 0.00 0.00 -1.02 0.00 0.00 39.78 38.75 3ig5 n ASN 143 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3ig5 n ASN 144 N 1.26 -4.05 -4.23 6.41 5.15 -0.49 -5.02 115.26 114.30 3ig5 n ASN 144 Ca 0.20 -0.95 -0.14 0.00 -0.60 0.00 0.00 54.58 53.09 3ig5 n ASN 144 Cb 0.53 -1.40 -0.10 0.00 -0.53 0.00 0.00 39.78 38.27 3ig5 n ASN 144 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3ig5 s LEU 145 N -5.36 2.51 -1.79 1.20 1.43 0.12 -4.83 118.68 111.97 3ig5 s LEU 145 Ca 0.12 -0.98 -0.18 0.00 -1.03 0.00 0.00 54.13 52.06 3ig5 s LEU 145 Cb -0.07 -0.30 0.18 0.00 0.03 0.00 0.00 46.19 46.03 3ig5 s LEU 145 CO 0.81 -0.34 0.49 1.41 0.23 0.00 0.00 176.35 178.95 3ig5 n HIS 146 N -0.06 -1.25 -1.78 0.29 8.25 -1.26 -4.31 115.22 115.10 3ig5 n HIS 146 Ca -0.11 0.69 -0.38 0.00 -0.26 0.00 0.00 57.72 57.65 3ig5 n HIS 146 Cb 0.60 -2.21 0.05 0.00 1.12 0.00 0.00 29.99 29.54 3ig5 n HIS 146 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3ig5 s VAL 147 N -3.51 2.08 0.00 1.59 0.11 -1.26 -2.44 120.40 116.97 3ig5 s VAL 147 Ca 0.63 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.74 3ig5 s VAL 147 Cb -0.37 -3.03 0.00 0.00 -1.53 0.00 0.00 36.38 31.46 3ig5 s VAL 147 CO 1.01 -0.00 0.00 0.61 -3.33 0.00 0.00 175.10 173.39 3ig5 n GLY 148 N 0.75 1.75 3.84 6.54 0.00 -1.26 -5.00 105.19 111.81 3ig5 n GLY 148 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3ig5 n GLY 148 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ig5 s SER 149 N -2.53 6.80 -0.17 1.61 0.01 -1.02 -3.95 113.70 114.45 3ig5 s SER 149 Ca 0.00 1.38 -0.04 0.00 1.31 0.00 0.00 55.95 58.60 3ig5 s SER 149 Cb 0.00 -2.41 0.07 0.00 0.21 0.00 0.00 66.02 63.89 3ig5 s SER 149 CO 0.00 -0.26 0.17 -0.60 0.41 0.00 0.00 173.24 172.96 3ig5 s ARG 150 N -3.08 0.12 -0.18 12.44 3.52 -0.83 -4.98 118.95 125.96 3ig5 s ARG 150 Ca 0.56 0.21 -0.11 0.00 -0.13 0.00 0.00 55.73 56.26 3ig5 s ARG 150 Cb -0.10 -1.17 -0.05 0.00 -1.56 0.00 0.00 34.95 32.08 3ig5 s ARG 150 CO 0.17 -0.58 0.19 -1.12 -0.81 0.00 0.00 175.30 173.15 3ig5 s SER 151 N 2.27 6.30 -0.05 -2.12 0.01 -1.26 -0.17 113.70 118.68 3ig5 s SER 151 Ca 0.05 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.66 3ig5 s SER 151 Cb -0.15 -2.12 0.02 0.00 0.21 0.00 0.00 66.02 63.98 3ig5 s SER 151 CO -0.10 0.18 -0.04 -0.69 0.41 0.00 0.00 173.24 173.00 3ig5 s VAL 152 N 0.25 0.53 -0.11 3.43 1.01 -0.36 -4.90 120.40 120.25 3ig5 s VAL 152 Ca 0.11 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 3ig5 s VAL 152 Cb -0.12 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 3ig5 s VAL 152 CO 0.01 0.24 1.18 -2.16 0.00 0.00 0.00 175.10 174.37 3ig5 s PRO 153 N 1.18 4.32 -0.01 2.72 0.04 -1.26 -0.71 135.00 141.28 3ig5 s PRO 153 Ca -0.07 1.61 0.08 0.00 0.04 0.00 0.00 61.00 62.66 3ig5 s PRO 153 Cb -0.14 -3.62 -0.02 0.00 0.04 0.00 0.00 34.50 30.76 3ig5 s PRO 153 CO -0.01 -0.52 -0.25 -0.51 0.04 0.00 0.00 177.00 175.74 3ig5 s LEU 154 N 2.65 2.07 -1.26 -3.56 1.43 0.05 -4.93 118.68 115.13 3ig5 s LEU 154 Ca 0.54 -0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 3ig5 s LEU 154 Cb -0.22 -1.27 0.16 0.00 0.03 0.00 0.00 46.19 44.89 3ig5 s LEU 154 CO 0.18 0.29 1.68 0.35 0.23 0.00 0.00 176.35 179.09 3ig5 n THR 155 N 2.35 4.26 -3.58 5.49 -2.24 -1.26 -0.02 114.28 119.28 3ig5 n THR 155 Ca -0.16 -4.49 -0.35 0.00 -2.27 0.00 0.00 64.05 56.78 3ig5 n THR 155 Cb 0.52 -2.41 -0.05 0.00 -2.10 0.00 0.00 70.33 66.28 3ig5 n THR 155 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3ig5 s LEU 156 N 0.90 4.35 -0.03 3.22 1.43 -1.26 -3.01 118.68 124.28 3ig5 s LEU 156 Ca 0.42 0.79 -0.24 0.00 -1.03 0.00 0.00 54.13 54.07 3ig5 s LEU 156 Cb 0.04 -2.97 -0.21 0.00 0.03 0.00 0.00 46.19 43.08 3ig5 s LEU 156 CO 0.00 0.18 1.13 0.74 0.23 0.00 0.00 176.35 178.63 3ig5 h THR 157 N 2.89 1.48 -4.05 5.49 2.02 -1.79 -3.36 112.91 115.60 3ig5 h THR 157 Ca -0.49 -1.65 -0.44 0.00 0.77 0.00 0.00 66.41 64.60 3ig5 h THR 157 Cb 1.19 2.48 -0.25 0.00 -1.74 0.00 0.00 68.15 69.83 3ig5 h THR 157 CO 0.66 0.45 -0.79 0.54 0.37 0.00 0.00 175.52 176.75 3ig5 s VAL 158 N -3.58 1.05 -0.38 3.16 0.11 -1.26 -0.55 120.40 118.96 3ig5 s VAL 158 Ca -0.16 -0.92 -0.23 0.00 -2.93 0.00 0.00 61.98 57.75 3ig5 s VAL 158 Cb 0.02 -0.95 0.01 0.00 -1.53 0.00 0.00 36.38 33.93 3ig5 s VAL 158 CO 0.72 0.03 0.75 0.12 -3.33 0.00 0.00 175.10 173.40 3ig5 s PHE 159 N -0.78 3.09 0.56 1.54 5.36 -1.26 -4.95 117.98 121.55 3ig5 s PHE 159 Ca 0.02 0.42 0.26 0.00 -0.96 0.00 0.00 56.93 56.66 3ig5 s PHE 159 Cb -0.07 -3.40 1.51 0.00 -0.34 0.00 0.00 43.02 40.72 3ig5 s PHE 159 CO 0.01 -0.77 2.06 -1.35 -1.46 0.00 0.00 175.22 173.70 3ig5 h PRO 160 N 8.59 0.00 -0.54 10.12 0.11 -1.99 -1.72 132.00 146.58 3ig5 h PRO 160 Ca -0.25 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.63 3ig5 h PRO 160 Cb 1.10 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.07 3ig5 h PRO 160 CO 0.91 0.00 0.15 0.54 -0.21 0.00 0.00 178.00 179.38 3ig5 n ARG 161 N -4.06 2.41 -1.71 1.05 1.74 -1.26 -0.83 116.66 113.99 3ig5 n ARG 161 Ca 0.04 -3.08 -0.43 0.00 -0.77 0.00 0.00 57.85 53.62 3ig5 n ARG 161 Cb 0.42 -1.96 -0.01 0.00 -1.02 0.00 0.00 32.46 29.88 3ig5 n ARG 161 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 3ig5 n MET 162 N -0.87 2.32 -1.29 5.56 1.56 -0.65 -1.73 117.12 122.02 3ig5 n MET 162 Ca 0.38 0.82 -0.10 0.00 -0.27 0.00 0.00 57.70 58.53 3ig5 n MET 162 Cb 1.21 -2.49 -0.04 0.00 2.15 0.00 0.00 33.22 34.05 3ig5 n MET 162 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3ig5 n GLY 163 N 1.39 1.11 3.72 -5.12 0.00 -1.26 -3.99 105.19 101.05 3ig5 n GLY 163 Ca 0.07 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 3ig5 n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ig5 n PRO 165 N -1.03 1.96 -1.73 0.00 -0.02 -1.26 -2.00 135.00 130.92 3ig5 n PRO 165 Ca -0.07 0.70 -0.10 0.00 -2.02 0.00 0.00 63.50 62.02 3ig5 n PRO 165 Cb 0.59 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 3ig5 n PRO 165 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ig5 n ASP 166 N 2.45 -3.78 0.19 2.55 8.00 -1.26 -4.91 116.55 119.80 3ig5 n ASP 166 Ca 0.13 0.12 0.12 0.00 0.71 0.00 0.00 54.79 55.88 3ig5 n ASP 166 Cb 0.30 -2.59 0.20 0.00 -0.02 0.00 0.00 41.12 39.01 3ig5 n ASP 166 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 3ig5 h PHE 167 N 0.00 0.00 -3.42 1.24 -5.15 -1.70 -3.44 116.94 104.47 3ig5 h PHE 167 Ca -0.22 0.00 -0.66 0.00 -0.20 0.00 0.00 57.97 56.89 3ig5 h PHE 167 Cb 0.90 0.00 -0.18 0.00 0.22 0.00 0.00 35.95 36.89 3ig5 h PHE 167 CO 0.27 0.00 -0.80 0.96 -2.00 0.00 0.00 178.31 176.74 3ig5 s ILE 168 N -3.20 2.72 -0.52 0.88 -4.36 -1.26 -0.35 121.20 115.10 3ig5 s ILE 168 Ca 0.07 -1.72 -0.05 0.00 -0.26 0.00 0.00 60.65 58.69 3ig5 s ILE 168 Cb 0.07 -2.28 -0.02 0.00 1.25 0.00 0.00 42.46 41.47 3ig5 s ILE 168 CO 0.67 -0.01 2.94 -0.46 0.24 0.00 0.00 174.94 178.31 3ig5 n ASN 169 N 0.48 6.51 -4.11 4.36 6.94 -1.08 -4.74 115.26 123.61 3ig5 n ASN 169 Ca -0.14 -2.99 -0.29 0.00 -0.02 0.00 0.00 54.58 51.14 3ig5 n ASN 169 Cb 0.54 -1.31 -0.17 0.00 -2.36 0.00 0.00 39.78 36.48 3ig5 n ASN 169 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3ig5 s ILE 170 N -1.10 1.62 0.14 1.53 1.01 -1.26 -4.84 121.20 118.30 3ig5 s ILE 170 Ca 0.61 -0.75 -0.16 0.00 0.00 0.00 0.00 60.65 60.35 3ig5 s ILE 170 Cb 0.33 -1.44 -0.00 0.00 0.01 0.00 0.00 42.46 41.35 3ig5 s ILE 170 CO -0.14 0.46 1.70 0.11 0.00 0.00 0.00 174.94 177.07 3ig5 h LYS 171 N 7.00 0.57 -2.09 2.79 1.57 -2.04 -3.37 116.57 121.01 3ig5 h LYS 171 Ca -0.27 -0.09 -0.57 0.00 -1.87 0.00 0.00 60.65 57.85 3ig5 h LYS 171 Cb 1.20 -0.10 -0.39 0.00 0.08 0.00 0.00 32.23 33.02 3ig5 h LYS 171 CO 0.48 0.52 -1.05 -3.47 -0.57 0.00 0.00 179.45 175.36 3ig5 n ASP 172 N -4.68 0.30 0.03 0.86 2.03 -1.26 -4.96 116.55 108.86 3ig5 n ASP 172 Ca -0.00 -2.68 0.12 0.00 0.52 0.00 0.00 54.79 52.75 3ig5 n ASP 172 Cb 0.12 -0.63 0.51 0.00 -0.72 0.00 0.00 41.12 40.40 3ig5 n ASP 172 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3ig5 n PRO 173 N 1.65 0.06 -0.39 -0.67 -0.04 -1.26 -2.04 135.00 132.30 3ig5 n PRO 173 Ca 0.23 0.12 0.06 0.00 -0.04 0.00 0.00 63.50 63.87 3ig5 n PRO 173 Cb 0.51 -1.58 0.22 0.00 -0.04 0.00 0.00 33.50 32.62 3ig5 n PRO 173 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3ig5 n TRP 174 N -1.68 0.95 1.29 0.54 5.03 -1.26 -4.01 117.44 118.30 3ig5 n TRP 174 Ca 0.06 -0.37 0.01 0.00 3.03 0.00 0.00 57.50 60.22 3ig5 n TRP 174 Cb 0.31 -0.18 0.03 0.00 -1.03 0.00 0.00 31.31 30.44 3ig5 n TRP 174 CO 0.00 0.00 0.00 0.27 -0.03 0.00 0.00 177.69 177.93 3ig5 n ASN 175 N 0.60 0.88 -3.54 -0.99 6.94 -0.87 -4.81 115.26 113.49 3ig5 n ASN 175 Ca 0.16 -2.04 -0.09 0.00 -0.02 0.00 0.00 54.58 52.59 3ig5 n ASN 175 Cb 0.61 -0.30 -0.02 0.00 -2.36 0.00 0.00 39.78 37.71 3ig5 n ASN 175 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 3ig5 s HIS 176 N -1.48 -0.40 0.30 -2.53 -3.43 -1.26 -5.17 115.29 101.33 3ig5 s HIS 176 Ca 0.04 0.17 -0.08 0.00 -0.80 0.00 0.00 55.06 54.39 3ig5 s HIS 176 Cb 0.03 0.58 -0.06 0.00 -1.43 0.00 0.00 32.58 31.69 3ig5 s HIS 176 CO 0.02 -0.80 0.61 0.15 -2.00 0.00 0.00 174.74 172.71 3ig5 s LYS 177 N -3.53 3.73 -0.85 -0.38 1.02 -1.26 -5.04 119.74 113.42 3ig5 s LYS 177 Ca 0.05 0.21 -0.01 0.00 0.02 0.00 0.00 55.97 56.23 3ig5 s LYS 177 Cb -0.02 -2.58 0.21 0.00 -0.52 0.00 0.00 37.83 34.92 3ig5 s LYS 177 CO -0.08 0.18 0.72 0.54 -0.92 0.00 0.00 175.35 175.80 3ig5 s ASN 178 N -2.91 5.83 0.33 2.83 4.22 -1.26 -4.94 114.94 119.04 3ig5 s ASN 178 Ca 0.47 -3.64 0.26 0.00 -2.14 0.00 0.00 52.86 47.81 3ig5 s ASN 178 Cb -0.11 -1.88 0.84 0.00 1.28 0.00 0.00 41.25 41.38 3ig5 s ASN 178 CO 0.27 -0.20 1.76 0.00 -2.04 0.00 0.00 177.10 176.90 3ig5 h ALA 179 N 6.07 1.00 0.41 3.54 0.00 -1.97 -0.03 119.26 128.28 3ig5 h ALA 179 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3ig5 h ALA 179 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3ig5 h ALA 179 CO 0.83 0.00 -0.20 0.00 0.00 0.00 0.00 179.25 179.88 3ig5 h ALA 180 N 2.25 -0.55 0.01 0.00 0.00 -1.92 -3.38 119.26 115.67 3ig5 h ALA 180 Ca 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 54.91 54.44 3ig5 h ALA 180 Cb 0.67 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 3ig5 h ALA 180 CO 0.00 -0.56 -1.76 -1.13 0.00 0.00 0.00 179.25 175.80 3ig5 n SER 181 N -5.16 0.96 -1.99 0.00 3.41 -1.23 -3.98 113.62 105.63 3ig5 n SER 181 Ca -0.09 0.38 -0.17 0.00 -0.26 0.00 0.00 58.87 58.74 3ig5 n SER 181 Cb 0.27 -0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.08 3ig5 n SER 181 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ig5 n ARG 182 N -3.07 -1.66 -2.11 4.33 1.74 -0.03 -4.94 116.66 110.92 3ig5 n ARG 182 Ca -0.19 0.92 -0.38 0.00 -0.77 0.00 0.00 57.85 57.43 3ig5 n ARG 182 Cb 1.06 -5.41 -0.00 0.00 -1.02 0.00 0.00 32.46 27.08 3ig5 n ARG 182 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3ig5 s SER 183 N -2.24 6.15 0.56 0.55 0.15 -1.26 -4.79 113.70 112.82 3ig5 s SER 183 Ca 0.00 2.53 0.36 0.00 0.70 0.00 0.00 55.95 59.53 3ig5 s SER 183 Cb 0.00 -2.62 1.63 0.00 -1.71 0.00 0.00 66.02 63.31 3ig5 s SER 183 CO 0.00 -0.95 2.07 -0.07 1.20 0.00 0.00 173.24 175.49 3ig5 h LEU 184 N 2.32 0.00 0.00 3.45 3.38 -1.92 -3.40 115.31 119.15 3ig5 h LEU 184 Ca -0.50 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 3ig5 h LEU 184 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 3ig5 h LEU 184 CO 0.61 0.00 -1.04 0.49 0.09 0.00 0.00 178.44 178.59 3ig5 n PHE 185 N -3.02 0.00 -3.74 1.13 3.72 -1.26 -4.98 117.46 109.31 3ig5 n PHE 185 Ca -0.00 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 3ig5 n PHE 185 Cb 0.23 -0.03 -0.12 0.00 -0.94 0.00 0.00 39.48 38.63 3ig5 n PHE 185 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3ig5 s LEU 186 N -3.98 4.45 0.60 4.37 1.43 -1.26 -4.41 118.68 119.89 3ig5 s LEU 186 Ca -0.00 -1.22 -0.18 0.00 -1.03 0.00 0.00 54.13 51.69 3ig5 s LEU 186 Cb 0.00 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 3ig5 s LEU 186 CO 0.02 -0.36 0.98 -2.65 0.23 0.00 0.00 176.35 174.58 3ig5 n PRO 187 N 4.81 0.91 0.00 1.29 -0.02 -1.26 -4.51 135.00 136.23 3ig5 n PRO 187 Ca -0.12 0.35 0.10 0.00 -2.02 0.00 0.00 63.50 61.82 3ig5 n PRO 187 Cb 0.44 -2.19 0.61 0.00 -0.02 0.00 0.00 33.50 32.35 3ig5 n PRO 187 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ig5 n ASP 188 N -0.82 0.00 0.08 2.55 8.00 -1.26 -2.30 116.55 122.80 3ig5 n ASP 188 Ca 0.14 -0.66 0.09 0.00 0.71 0.00 0.00 54.79 55.07 3ig5 n ASP 188 Cb 0.47 0.00 0.40 0.00 -0.02 0.00 0.00 41.12 41.97 3ig5 n ASP 188 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ig5 n GLU 189 N -0.99 0.11 0.15 -1.24 4.71 -1.26 -1.58 120.64 120.53 3ig5 n GLU 189 Ca 0.15 0.40 0.13 0.00 -0.01 0.00 0.00 57.16 57.83 3ig5 n GLU 189 Cb 0.07 -1.73 0.50 0.00 -1.01 0.00 0.00 31.44 29.27 3ig5 n GLU 189 CO 0.00 0.00 0.00 -0.39 0.09 0.00 0.00 177.13 176.83 3ig5 h VAL 190 N 0.00 0.00 -3.38 2.62 -1.51 -1.82 -3.42 116.25 108.74 3ig5 h VAL 190 Ca 0.00 -0.33 -0.59 0.00 -1.23 0.00 0.00 66.70 64.56 3ig5 h VAL 190 Cb 0.26 1.14 -0.09 0.00 -2.13 0.00 0.00 31.29 30.46 3ig5 h VAL 190 CO 0.00 0.00 -0.14 -0.63 -1.23 0.00 0.00 177.57 175.57 3ig5 s ILE 191 N -3.33 5.18 0.21 7.19 1.01 -0.61 -0.04 121.20 130.81 3ig5 s ILE 191 Ca 0.05 0.88 -0.29 0.00 0.00 0.00 0.00 60.65 61.29 3ig5 s ILE 191 Cb 0.10 -3.79 -0.16 0.00 0.01 0.00 0.00 42.46 38.61 3ig5 s ILE 191 CO 0.45 0.28 0.68 -3.20 0.00 0.00 0.00 174.94 173.15 3ig5 n ASN 192 N 4.09 -0.51 0.29 3.58 2.85 -0.01 -4.30 115.26 121.24 3ig5 n ASN 192 Ca -0.07 1.14 0.18 0.00 -0.11 0.00 0.00 54.58 55.72 3ig5 n ASN 192 Cb 0.51 -1.04 0.81 0.00 1.24 0.00 0.00 39.78 41.31 3ig5 n ASN 192 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 3ig5 h ARG 193 N 1.39 0.00 -6.81 1.20 3.08 -1.93 -3.41 114.38 107.89 3ig5 h ARG 193 Ca -0.32 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.20 3ig5 h ARG 193 Cb 1.41 0.00 0.08 0.00 0.08 0.00 0.00 29.97 31.54 3ig5 h ARG 193 CO 0.59 0.03 0.81 -1.58 -1.07 0.00 0.00 179.97 178.74 3ig5 s HIS 194 N -3.84 2.83 0.42 3.04 2.46 -1.26 -4.86 115.29 114.07 3ig5 s HIS 194 Ca -0.01 0.97 0.08 0.00 0.47 0.00 0.00 55.06 56.57 3ig5 s HIS 194 Cb 0.10 -3.96 0.89 0.00 -0.13 0.00 0.00 32.58 29.49 3ig5 s HIS 194 CO 0.52 -3.08 2.06 -0.39 -2.47 0.00 0.00 174.74 171.38 3ig5 h VAL 195 N 3.34 1.09 -0.95 0.89 -1.51 -1.94 -2.27 116.25 114.90 3ig5 h VAL 195 Ca -0.47 -0.18 0.29 0.00 -1.23 0.00 0.00 66.70 65.11 3ig5 h VAL 195 Cb 1.22 0.52 -0.16 0.00 -2.13 0.00 0.00 31.29 30.75 3ig5 h VAL 195 CO 0.75 0.09 0.33 -0.09 -1.23 0.00 0.00 177.57 177.43 3ig5 h ARG 196 N 0.52 0.16 0.01 5.19 2.43 -1.93 -2.10 114.38 118.66 3ig5 h ARG 196 Ca 0.15 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.19 3ig5 h ARG 196 Cb -0.02 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3ig5 h ARG 196 CO -0.03 0.11 -0.48 0.74 -1.51 0.00 0.00 179.97 178.79 3ig5 h PHE 197 N 0.17 0.47 -0.24 2.20 0.04 -1.68 -1.13 116.94 116.77 3ig5 h PHE 197 Ca 0.65 -0.26 -0.08 0.00 2.80 0.00 0.00 57.97 61.08 3ig5 h PHE 197 Cb 1.45 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 39.53 3ig5 h PHE 197 CO -0.20 1.09 -0.19 -1.35 -0.60 0.00 0.00 178.31 177.05 3ig5 h PRO 198 N -0.28 0.42 -0.18 1.51 0.11 -1.71 -1.86 132.00 130.03 3ig5 h PRO 198 Ca -0.06 -0.13 -0.00 0.00 0.11 0.00 0.00 66.00 65.91 3ig5 h PRO 198 Cb 1.22 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3ig5 h PRO 198 CO 0.09 0.60 0.09 -0.97 -0.21 0.00 0.00 178.00 177.61 3ig5 h ASN 199 N 0.38 0.22 -0.95 -2.05 -1.24 -1.31 -1.61 115.58 109.03 3ig5 h ASN 199 Ca 0.07 -0.10 0.04 0.00 0.71 0.00 0.00 56.30 57.01 3ig5 h ASN 199 Cb 0.56 -0.06 -0.06 0.00 0.73 0.00 0.00 38.32 39.49 3ig5 h ASN 199 CO 0.04 0.26 0.62 0.25 -1.29 0.00 0.00 177.43 177.31 3ig5 h LEU 200 N 0.17 1.03 -0.03 0.34 5.85 -1.20 0.62 115.31 122.09 3ig5 h LEU 200 Ca 0.06 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3ig5 h LEU 200 Cb 0.09 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3ig5 h LEU 200 CO -0.01 0.70 -0.02 0.74 -0.34 0.00 0.00 178.44 179.52 3ig5 h THR 201 N 1.19 0.95 0.13 1.05 2.02 -0.98 -2.16 112.91 115.11 3ig5 h THR 201 Ca 0.38 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.55 3ig5 h THR 201 Cb 0.01 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3ig5 h THR 201 CO -0.13 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.70 3ig5 h ALA 202 N 1.01 -0.18 -0.56 6.16 0.00 -1.22 -2.76 119.26 121.71 3ig5 h ALA 202 Ca 0.02 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.85 3ig5 h ALA 202 Cb 0.04 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 3ig5 h ALA 202 CO -0.04 -0.42 0.14 0.77 0.00 0.00 0.00 179.25 179.70 3ig5 h SER 203 N -0.54 0.06 -0.61 0.00 0.02 -0.84 0.10 113.55 111.74 3ig5 h SER 203 Ca -0.02 0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 3ig5 h SER 203 Cb 0.42 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 3ig5 h SER 203 CO 0.03 0.05 0.13 0.40 -1.14 0.00 0.00 176.83 176.30 3ig5 h ILE 204 N 0.29 1.25 -0.47 3.27 2.04 -1.41 -0.05 117.51 122.43 3ig5 h ILE 204 Ca 0.29 -0.94 -0.13 0.00 1.00 0.00 0.00 64.86 65.08 3ig5 h ILE 204 Cb 0.40 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3ig5 h ILE 204 CO -0.35 0.35 -0.22 -0.09 0.00 0.00 0.00 178.15 177.84 3ig5 h ARG 205 N 0.89 0.97 -0.34 2.37 2.43 -1.05 -1.11 114.38 118.54 3ig5 h ARG 205 Ca 0.19 -0.42 -0.03 0.00 -0.81 0.00 0.00 59.98 58.91 3ig5 h ARG 205 Cb 0.38 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 3ig5 h ARG 205 CO 0.01 1.09 0.09 1.15 -1.51 0.00 0.00 179.97 180.80 3ig5 h THR 206 N 0.84 1.21 -0.27 0.20 2.02 -0.91 -1.35 112.91 114.65 3ig5 h THR 206 Ca 0.11 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 3ig5 h THR 206 Cb 0.80 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 3ig5 h THR 206 CO 0.07 0.24 0.13 -0.09 0.37 0.00 0.00 175.52 176.24 3ig5 h ARG 207 N 0.39 0.39 -0.67 6.66 2.43 -0.79 -1.93 114.38 120.86 3ig5 h ARG 207 Ca 0.11 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3ig5 h ARG 207 Cb 0.28 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 3ig5 h ARG 207 CO -0.00 0.37 0.45 -0.09 -1.51 0.00 0.00 179.97 179.19 3ig5 h ARG 208 N 0.30 0.81 0.00 0.20 2.43 -1.24 0.27 114.38 117.15 3ig5 h ARG 208 Ca 0.09 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3ig5 h ARG 208 Cb 0.11 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3ig5 h ARG 208 CO -0.01 0.53 0.00 0.41 -1.51 0.00 0.00 179.97 179.39 3ig5 n GLY 209 N -1.44 0.43 3.28 2.80 0.00 -0.51 -4.33 105.19 105.42 3ig5 n GLY 209 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 3ig5 n GLY 209 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ig5 s GLU 210 N -0.58 1.00 0.61 1.61 2.02 -1.24 -4.66 118.70 117.47 3ig5 s GLU 210 Ca 0.00 -0.92 -0.18 0.00 0.02 0.00 0.00 54.97 53.88 3ig5 s GLU 210 Cb 0.00 0.40 -0.03 0.00 0.10 0.00 0.00 34.13 34.60 3ig5 s GLU 210 CO 0.00 -0.36 1.24 0.15 0.02 0.00 0.00 175.26 176.31 3ig5 s LYS 211 N -3.87 2.81 0.65 1.61 1.02 -1.26 -4.74 119.74 115.97 3ig5 s LYS 211 Ca 0.07 1.92 -0.17 0.00 0.02 0.00 0.00 55.97 57.80 3ig5 s LYS 211 Cb 0.03 -1.90 -0.04 0.00 -0.52 0.00 0.00 37.83 35.41 3ig5 s LYS 211 CO -0.09 -1.35 0.78 1.33 -0.92 0.00 0.00 175.35 175.10 3ig5 n VAL 212 N -1.71 2.84 -3.77 3.17 0.24 -1.26 -5.00 118.33 112.84 3ig5 n VAL 212 Ca 0.14 -0.45 -0.14 0.00 -2.04 0.00 0.00 64.34 61.85 3ig5 n VAL 212 Cb 0.49 -0.96 -0.15 0.00 -1.47 0.00 0.00 33.84 31.75 3ig5 n VAL 212 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ig5 s MET 214 N 1.03 0.20 -0.32 0.00 -1.94 -0.37 -4.86 119.30 113.04 3ig5 s MET 214 Ca -0.08 -0.26 -0.14 0.00 -1.71 0.00 0.00 55.69 53.49 3ig5 s MET 214 Cb -0.12 -1.73 -0.02 0.00 2.01 0.00 0.00 34.83 34.97 3ig5 s MET 214 CO -0.04 -0.75 0.31 -0.80 -0.01 0.00 0.00 175.02 173.74 3ig5 s ASN 215 N 2.07 6.14 -0.13 3.03 0.01 -1.26 -1.38 114.94 123.43 3ig5 s ASN 215 Ca 0.03 -0.16 -0.02 0.00 -0.71 0.00 0.00 52.86 52.00 3ig5 s ASN 215 Cb -0.16 -2.18 -0.03 0.00 0.41 0.00 0.00 41.25 39.30 3ig5 s ASN 215 CO -0.15 -0.25 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.44 3ig5 s VAL 216 N 1.93 3.76 0.27 1.60 1.01 -0.43 -4.92 120.40 123.62 3ig5 s VAL 216 Ca 0.10 -0.42 -0.31 0.00 0.00 0.00 0.00 61.98 61.36 3ig5 s VAL 216 Cb -0.17 -2.61 -0.12 0.00 0.00 0.00 0.00 36.38 33.48 3ig5 s VAL 216 CO 0.11 0.52 1.60 -0.81 0.00 0.00 0.00 175.10 176.53 3ig5 n PRO 217 N 3.21 2.63 -2.98 2.72 -0.04 -1.26 -0.73 135.00 138.54 3ig5 n PRO 217 Ca -0.18 0.94 -0.37 0.00 -0.04 0.00 0.00 63.50 63.85 3ig5 n PRO 217 Cb 0.53 -2.72 -0.06 0.00 -0.04 0.00 0.00 33.50 31.20 3ig5 n PRO 217 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 3ig5 s MET 218 N -0.13 4.40 0.42 0.54 1.75 0.29 0.70 119.30 127.27 3ig5 s MET 218 Ca 0.67 1.05 -0.26 0.00 -1.25 0.00 0.00 55.69 55.91 3ig5 s MET 218 Cb -0.52 -2.92 -0.09 0.00 2.84 0.00 0.00 34.83 34.14 3ig5 s MET 218 CO 0.45 0.39 1.35 -0.47 -0.65 0.00 0.00 175.02 176.09 3ig5 s TYR 219 N -1.49 2.70 -0.75 4.11 5.04 -0.56 -4.15 117.35 122.26 3ig5 s TYR 219 Ca 0.44 1.35 0.00 0.00 -2.44 0.00 0.00 57.07 56.43 3ig5 s TYR 219 Cb -0.18 -3.76 0.18 0.00 0.35 0.00 0.00 41.96 38.55 3ig5 s TYR 219 CO 0.23 -2.39 0.57 0.15 -1.34 0.00 0.00 175.55 172.77 3ig5 s LYS 220 N -2.29 2.77 0.80 4.97 -0.14 -1.26 -4.82 119.74 119.76 3ig5 s LYS 220 Ca 0.58 -3.07 -0.09 0.00 -1.36 0.00 0.00 55.97 52.03 3ig5 s LYS 220 Cb -0.40 -3.70 0.12 0.00 -1.68 0.00 0.00 37.83 32.16 3ig5 s LYS 220 CO 0.52 -1.23 1.12 0.34 -0.76 0.00 0.00 175.35 175.34 3ig5 s ASP 221 N -0.33 4.19 0.36 2.83 -1.08 -1.26 -4.96 116.67 116.42 3ig5 s ASP 221 Ca 0.23 0.29 0.03 0.00 -0.52 0.00 0.00 52.55 52.58 3ig5 s ASP 221 Cb -0.11 -0.69 0.67 0.00 -1.46 0.00 0.00 42.92 41.33 3ig5 s ASP 221 CO -0.10 -2.02 2.02 -0.29 0.52 0.00 0.00 175.17 175.30 3ig5 h ILE 222 N -0.95 1.15 -0.24 4.11 6.09 -1.95 -2.32 117.51 123.40 3ig5 h ILE 222 Ca -0.43 -0.28 0.00 0.00 -1.37 0.00 0.00 64.86 62.78 3ig5 h ILE 222 Cb 1.28 0.26 0.00 0.00 0.47 0.00 0.00 36.82 38.84 3ig5 h ILE 222 CO 0.51 0.15 0.00 0.00 -3.07 0.00 0.00 178.15 175.74 3ig5 n ALA 223 N -2.44 2.90 -2.10 0.18 0.00 -0.32 -5.03 120.51 113.70 3ig5 n ALA 223 Ca 0.06 -2.27 -0.42 0.00 0.00 0.00 0.00 53.44 50.81 3ig5 n ALA 223 Cb 0.05 -0.67 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 3ig5 n ALA 223 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ig5 s THR 224 N -2.73 3.14 0.76 0.00 2.01 -0.88 -4.57 115.64 113.37 3ig5 s THR 224 Ca 0.40 0.83 -0.15 0.00 0.31 0.00 0.00 61.69 63.08 3ig5 s THR 224 Cb 0.32 -3.53 0.01 0.00 0.01 0.00 0.00 72.50 69.31 3ig5 s THR 224 CO 0.09 0.07 0.84 -2.65 -0.69 0.00 0.00 174.62 172.28 3ig5 n PRO 225 N 3.77 0.31 0.20 4.92 -0.02 -1.26 -4.91 135.00 138.01 3ig5 n PRO 225 Ca 0.11 0.16 0.10 0.00 -2.02 0.00 0.00 63.50 61.85 3ig5 n PRO 225 Cb 0.42 -2.12 0.18 0.00 -0.02 0.00 0.00 33.50 31.95 3ig5 n PRO 225 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3ig5 h GLU 226 N -0.54 0.00 -5.68 -0.52 5.08 -2.01 -3.45 114.58 107.46 3ig5 h GLU 226 Ca -0.46 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.39 3ig5 h GLU 226 Cb 1.33 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.44 3ig5 h GLU 226 CO 0.44 0.13 -0.71 0.95 -1.00 0.00 0.00 179.01 178.83 3ig5 s THR 227 N -3.19 1.87 -0.84 1.13 -4.23 -1.26 -1.39 115.64 107.72 3ig5 s THR 227 Ca 0.06 -2.21 -0.25 0.00 -1.18 0.00 0.00 61.69 58.10 3ig5 s THR 227 Cb 0.06 -2.30 -0.10 0.00 1.34 0.00 0.00 72.50 71.50 3ig5 s THR 227 CO 0.68 -0.41 2.19 -0.62 -0.54 0.00 0.00 174.62 175.92 3ig5 s ASP 228 N -3.43 4.48 0.00 3.99 -1.08 -1.26 -4.83 116.67 114.54 3ig5 s ASP 228 Ca 0.27 -0.30 0.00 0.00 -0.52 0.00 0.00 52.55 52.01 3ig5 s ASP 228 Cb 0.01 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 3ig5 s ASP 228 CO 0.11 -3.35 0.51 -0.90 0.52 0.00 0.00 175.17 172.06 3ig5 n ASP 229 N 16.47 0.21 0.03 -0.34 5.68 -1.26 -1.94 116.55 135.40 3ig5 n ASP 229 Ca 0.44 -1.23 0.12 0.00 -0.50 0.00 0.00 54.79 53.61 3ig5 n ASP 229 Cb 0.45 -0.10 0.12 0.00 -1.14 0.00 0.00 41.12 40.44 3ig5 n ASP 229 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3ig5 n SER 230 N -0.27 0.63 -4.77 -1.12 3.41 -1.26 -4.92 113.62 105.33 3ig5 n SER 230 Ca 0.00 -0.11 -0.41 0.00 -0.26 0.00 0.00 58.87 58.09 3ig5 n SER 230 Cb 0.05 0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 64.44 3ig5 n SER 230 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3ig5 s ILE 231 N -3.14 2.57 0.05 -1.33 1.01 -0.82 -5.02 121.20 114.51 3ig5 s ILE 231 Ca 0.06 0.55 -0.01 0.00 0.00 0.00 0.00 60.65 61.25 3ig5 s ILE 231 Cb 0.15 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 3ig5 s ILE 231 CO 0.75 0.12 -0.02 -0.72 0.00 0.00 0.00 174.94 175.07 3ig5 s TYR 232 N -0.88 0.50 0.37 3.97 1.13 -1.26 -5.13 117.35 116.04 3ig5 s TYR 232 Ca 0.52 -1.04 -0.23 0.00 -1.41 0.00 0.00 57.07 54.92 3ig5 s TYR 232 Cb -0.42 -0.37 -0.10 0.00 -1.10 0.00 0.00 41.96 39.97 3ig5 s TYR 232 CO 0.53 -0.38 0.92 0.34 -2.51 0.00 0.00 175.55 174.45 3ig5 s ASP 233 N -2.87 7.10 0.19 -0.18 2.15 -1.26 -5.00 116.67 116.79 3ig5 s ASP 233 Ca 0.06 1.70 -0.08 0.00 0.43 0.00 0.00 52.55 54.67 3ig5 s ASP 233 Cb 0.07 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 40.14 3ig5 s ASP 233 CO -0.10 -0.21 0.29 -0.60 -0.17 0.00 0.00 175.17 174.39 3ig5 s ARG 234 N -2.64 1.24 -0.17 4.34 3.52 -1.26 -5.09 118.95 118.89 3ig5 s ARG 234 Ca 0.56 -1.28 0.22 0.00 -0.13 0.00 0.00 55.73 55.09 3ig5 s ARG 234 Cb -0.13 0.37 0.47 0.00 -1.56 0.00 0.00 34.95 34.10 3ig5 s ARG 234 CO 0.18 -0.46 1.14 -0.25 -0.81 0.00 0.00 175.30 175.11 3ig5 n ASP 235 N -0.25 1.70 0.01 -2.12 9.92 -1.26 -4.74 116.55 119.80 3ig5 n ASP 235 Ca -0.04 -2.29 -0.15 0.00 -0.53 0.00 0.00 54.79 51.78 3ig5 n ASP 235 Cb 0.63 -0.41 -0.14 0.00 -0.64 0.00 0.00 41.12 40.56 3ig5 n ASP 235 CO 0.00 0.00 0.00 -0.50 0.13 0.00 0.00 177.20 176.83 3ig5 h TRP 236 N 1.93 0.27 -3.47 1.24 6.55 -1.98 -3.47 115.95 117.01 3ig5 h TRP 236 Ca -0.11 -0.20 -0.37 0.00 0.95 0.00 0.00 58.89 59.16 3ig5 h TRP 236 Cb 1.49 -0.01 -0.34 0.00 -0.86 0.00 0.00 29.16 29.44 3ig5 h TRP 236 CO 0.44 1.34 -0.76 -0.06 -1.05 0.00 0.00 178.44 178.36 3ig5 s PHE 237 N -2.59 0.49 -0.03 0.49 0.08 -1.26 -5.06 117.98 110.09 3ig5 s PHE 237 Ca -0.11 -0.08 0.07 0.00 0.12 0.00 0.00 56.93 56.93 3ig5 s PHE 237 Cb 0.07 -0.52 -0.01 0.00 -0.57 0.00 0.00 43.02 41.99 3ig5 s PHE 237 CO 0.82 -0.16 -0.24 -0.51 -0.10 0.00 0.00 175.22 175.03 3ig5 s LEU 238 N 1.02 2.04 0.00 -0.37 1.43 -1.26 -0.36 118.68 121.18 3ig5 s LEU 238 Ca -0.10 -0.45 0.29 0.00 -1.03 0.00 0.00 54.13 52.84 3ig5 s LEU 238 Cb -0.14 -1.25 1.23 0.00 0.03 0.00 0.00 46.19 46.06 3ig5 s LEU 238 CO -0.01 0.26 1.91 -0.81 0.23 0.00 0.00 176.35 177.93 3ig5 n PRO 239 N 2.71 0.09 -0.13 1.29 -0.04 -1.26 -4.94 135.00 132.72 3ig5 n PRO 239 Ca -0.17 -0.01 0.02 0.00 -0.04 0.00 0.00 63.50 63.30 3ig5 n PRO 239 Cb 0.52 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.79 3ig5 n PRO 239 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3ig5 h GLU 240 N 0.02 0.81 0.00 0.54 3.07 -1.93 0.65 114.58 117.75 3ig5 h GLU 240 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3ig5 h GLU 240 Cb 0.46 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 3ig5 h GLU 240 CO 0.00 0.55 0.00 -0.25 -1.40 0.00 0.00 179.01 177.91 3ig5 n ASP 241 N -4.44 0.05 -0.79 1.42 8.00 0.51 -2.21 116.55 119.10 3ig5 n ASP 241 Ca 0.06 0.51 0.09 0.00 0.71 0.00 0.00 54.79 56.17 3ig5 n ASP 241 Cb 0.05 -0.52 0.10 0.00 -0.02 0.00 0.00 41.12 40.72 3ig5 n ASP 241 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ig5 n LYS 242 N -1.56 1.73 0.08 -1.24 4.76 0.22 -4.29 118.16 117.86 3ig5 n LYS 242 Ca 0.03 -1.71 -0.12 0.00 -2.87 0.00 0.00 58.31 53.65 3ig5 n LYS 242 Cb 0.17 -1.37 -0.13 0.00 -1.84 0.00 0.00 35.03 31.86 3ig5 n LYS 242 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3ig5 h GLU 243 N 3.64 0.15 -0.96 1.97 5.08 -1.44 -3.37 114.58 119.66 3ig5 h GLU 243 Ca 0.00 -0.25 0.11 0.00 -1.00 0.00 0.00 59.36 58.22 3ig5 h GLU 243 Cb 0.79 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 30.05 3ig5 h GLU 243 CO 0.00 1.11 0.59 0.00 -1.00 0.00 0.00 179.01 179.71 3ig5 h ALA 244 N 0.77 1.42 -0.36 3.43 0.00 -1.81 0.69 119.26 123.39 3ig5 h ALA 244 Ca -0.08 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3ig5 h ALA 244 Cb 1.88 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 3ig5 h ALA 244 CO 0.17 0.20 0.01 -0.22 0.00 0.00 0.00 179.25 179.41 3ig5 h LYS 245 N 0.95 0.56 0.05 0.00 3.64 -1.91 -1.31 116.57 118.54 3ig5 h LYS 245 Ca 0.47 -0.12 -0.27 0.00 -1.27 0.00 0.00 60.65 59.46 3ig5 h LYS 245 Cb 0.44 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3ig5 h LYS 245 CO -0.26 0.58 -1.42 -0.07 -2.27 0.00 0.00 179.45 176.01 3ig5 h LEU 246 N 0.54 0.17 0.00 5.20 3.38 -1.56 -3.40 115.31 119.64 3ig5 h LEU 246 Ca 0.12 -0.24 -0.27 0.00 0.09 0.00 0.00 57.88 57.57 3ig5 h LEU 246 Cb 0.33 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3ig5 h LEU 246 CO 0.01 1.20 -1.81 0.00 0.09 0.00 0.00 178.44 177.93 3ig5 n ALA 247 N -2.55 1.64 -1.58 1.53 0.00 0.16 -4.95 120.51 114.76 3ig5 n ALA 247 Ca -0.12 -0.84 -0.29 0.00 0.00 0.00 0.00 53.44 52.19 3ig5 n ALA 247 Cb 1.01 -0.72 0.16 0.00 0.00 0.00 0.00 19.45 19.91 3ig5 n ALA 247 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ig5 s SER 248 N -5.83 3.02 -0.14 0.00 1.04 -0.51 -4.95 113.70 106.34 3ig5 s SER 248 Ca -0.06 0.71 -0.11 0.00 0.48 0.00 0.00 55.95 56.98 3ig5 s SER 248 Cb 0.08 -1.09 0.04 0.00 0.10 0.00 0.00 66.02 65.15 3ig5 s SER 248 CO 0.83 -2.83 0.36 -0.54 0.98 0.00 0.00 173.24 172.03 3ig5 s LYS 249 N -5.48 0.39 0.29 4.02 1.02 -1.26 -5.00 119.74 113.72 3ig5 s LYS 249 Ca 0.67 0.56 -0.30 0.00 0.02 0.00 0.00 55.97 56.93 3ig5 s LYS 249 Cb -0.11 0.13 -0.12 0.00 -0.52 0.00 0.00 37.83 37.21 3ig5 s LYS 249 CO 0.53 -0.08 1.44 -2.30 -0.92 0.00 0.00 175.35 174.02 3ig5 n PRO 250 N 3.29 2.30 -0.85 -1.68 -0.02 -1.26 -1.55 135.00 135.22 3ig5 n PRO 250 Ca -0.16 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3ig5 n PRO 250 Cb 0.57 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3ig5 n PRO 250 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ig5 n GLY 251 N 1.70 0.74 3.14 -1.23 0.00 -0.49 -5.00 105.19 104.06 3ig5 n GLY 251 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 3ig5 n GLY 251 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ig5 s PHE 252 N -2.81 1.94 0.08 1.61 0.40 -0.60 -0.55 117.98 118.06 3ig5 s PHE 252 Ca 0.00 -0.68 -0.31 0.00 -0.60 0.00 0.00 56.93 55.35 3ig5 s PHE 252 Cb 0.00 -1.32 -0.10 0.00 0.51 0.00 0.00 43.02 42.11 3ig5 s PHE 252 CO 0.00 -0.27 1.91 -0.89 0.70 0.00 0.00 175.22 176.67 3ig5 n ILE 253 N 3.42 0.57 -3.58 0.64 5.41 0.09 -4.25 119.36 121.66 3ig5 n ILE 253 Ca -0.20 -0.10 -0.37 0.00 1.00 0.00 0.00 62.75 63.09 3ig5 n ILE 253 Cb 0.52 -2.23 -0.08 0.00 -0.71 0.00 0.00 39.64 37.14 3ig5 n ILE 253 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 3ig5 s TYR 254 N 3.61 3.39 0.06 1.39 5.04 -1.26 -1.32 117.35 128.26 3ig5 s TYR 254 Ca 0.85 0.44 0.06 0.00 -2.44 0.00 0.00 57.07 55.98 3ig5 s TYR 254 Cb -0.45 -2.33 -0.03 0.00 0.35 0.00 0.00 41.96 39.50 3ig5 s TYR 254 CO 0.40 0.14 -0.17 -1.64 -1.34 0.00 0.00 175.55 172.93 3ig5 s MET 255 N 0.82 1.07 0.00 4.97 -1.94 -0.48 -4.99 119.30 118.74 3ig5 s MET 255 Ca 0.13 -0.93 0.17 0.00 -1.71 0.00 0.00 55.69 53.34 3ig5 s MET 255 Cb -0.13 -1.17 0.28 0.00 2.01 0.00 0.00 34.83 35.82 3ig5 s MET 255 CO 0.04 0.28 1.10 -0.40 -0.01 0.00 0.00 175.02 176.03 3ig5 n ASP 256 N 1.59 0.59 -3.76 3.03 5.75 -1.26 -1.24 116.55 121.24 3ig5 n ASP 256 Ca -0.19 -1.98 -0.13 0.00 -0.01 0.00 0.00 54.79 52.49 3ig5 n ASP 256 Cb 0.54 -0.23 -0.10 0.00 -1.03 0.00 0.00 41.12 40.30 3ig5 n ASP 256 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3ig5 s SER 257 N -1.62 -0.28 0.29 -1.12 0.15 -1.26 -4.42 113.70 105.43 3ig5 s SER 257 Ca 0.22 0.42 0.02 0.00 0.70 0.00 0.00 55.95 57.31 3ig5 s SER 257 Cb 0.25 0.52 0.61 0.00 -1.71 0.00 0.00 66.02 65.70 3ig5 s SER 257 CO -0.11 -0.26 1.80 -0.03 1.20 0.00 0.00 173.24 175.84 3ig5 h MET 258 N 4.84 0.83 -1.11 5.44 1.85 -1.95 -2.22 114.93 122.61 3ig5 h MET 258 Ca -0.28 -0.05 0.31 0.00 -0.61 0.00 0.00 59.70 59.07 3ig5 h MET 258 Cb 1.18 -0.19 -0.10 0.00 0.43 0.00 0.00 31.60 32.93 3ig5 h MET 258 CO 0.34 0.55 0.72 0.78 -0.40 0.00 0.00 176.91 178.90 3ig5 h GLY 259 N 0.85 1.15 2.00 1.39 0.00 -1.92 0.30 103.07 106.84 3ig5 h GLY 259 Ca 0.52 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 3ig5 h GLY 259 CO -0.32 -0.19 -0.01 0.74 0.00 0.00 0.00 176.54 176.76 3ig5 h PHE 260 N 0.29 0.00 0.00 5.60 0.04 -1.76 0.11 116.94 121.22 3ig5 h PHE 260 Ca 0.64 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.41 3ig5 h PHE 260 Cb 1.80 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.95 3ig5 h PHE 260 CO -0.00 0.01 -0.32 0.41 -0.60 0.00 0.00 178.31 177.80 3ig5 n GLY 261 N -0.55 -0.20 0.00 -1.45 0.00 0.00 -4.49 105.19 98.50 3ig5 n GLY 261 Ca -0.01 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 45.99 3ig5 n GLY 261 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ig5 n MET 262 N -3.80 0.27 -0.31 1.61 2.81 0.84 -0.88 117.12 117.66 3ig5 n MET 262 Ca -0.05 0.11 0.06 0.00 -1.81 0.00 0.00 57.70 56.01 3ig5 n MET 262 Cb 0.17 -1.50 0.20 0.00 -0.71 0.00 0.00 33.22 31.37 3ig5 n MET 262 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ig5 n GLY 263 N 0.26 1.39 3.86 3.03 0.00 0.03 -4.35 105.19 109.41 3ig5 n GLY 263 Ca 0.09 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 3ig5 n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ig5 s SER 265 N -3.88 3.93 0.18 0.00 0.01 0.29 -5.02 113.70 109.21 3ig5 s SER 265 Ca 0.34 -0.79 -0.05 0.00 1.31 0.00 0.00 55.95 56.76 3ig5 s SER 265 Cb -0.08 -0.52 -0.03 0.00 0.21 0.00 0.00 66.02 65.61 3ig5 s SER 265 CO 0.26 0.07 0.21 0.00 0.41 0.00 0.00 173.24 174.18 3ig5 s LEU 267 N -3.05 3.61 0.05 0.00 2.96 -0.81 -3.46 118.68 117.96 3ig5 s LEU 267 Ca 0.26 -0.02 0.07 0.00 -0.22 0.00 0.00 54.13 54.22 3ig5 s LEU 267 Cb 0.05 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 3ig5 s LEU 267 CO 0.05 0.14 -0.20 -1.10 -1.32 0.00 0.00 176.35 173.92 3ig5 s GLN 268 N 0.59 1.31 -0.04 1.98 -0.21 -0.76 -3.70 119.66 118.84 3ig5 s GLN 268 Ca 0.02 -0.94 0.01 0.00 0.02 0.00 0.00 55.36 54.47 3ig5 s GLN 268 Cb -0.13 -1.43 0.02 0.00 1.00 0.00 0.00 33.01 32.47 3ig5 s GLN 268 CO 0.02 0.36 -0.03 0.08 -2.12 0.00 0.00 175.29 173.60 3ig5 s VAL 269 N -0.84 0.39 -0.06 1.09 1.01 -0.72 -0.80 120.40 120.48 3ig5 s VAL 269 Ca 0.07 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.04 3ig5 s VAL 269 Cb -0.09 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 3ig5 s VAL 269 CO 0.02 0.19 -0.18 -0.89 0.00 0.00 0.00 175.10 174.23 3ig5 s THR 270 N 0.88 2.70 0.00 3.92 2.01 -0.50 -0.31 115.64 124.35 3ig5 s THR 270 Ca -0.11 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.08 3ig5 s THR 270 Cb -0.14 -2.04 -0.01 0.00 0.01 0.00 0.00 72.50 70.32 3ig5 s THR 270 CO -0.00 0.58 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.03 3ig5 s PHE 271 N -0.45 0.96 -0.19 4.92 0.08 -0.37 -1.68 117.98 121.25 3ig5 s PHE 271 Ca 0.05 -0.23 -0.07 0.00 0.12 0.00 0.00 56.93 56.81 3ig5 s PHE 271 Cb -0.12 -0.60 -0.04 0.00 -0.57 0.00 0.00 43.02 41.69 3ig5 s PHE 271 CO 0.02 -0.01 0.05 -1.14 -0.10 0.00 0.00 175.22 174.04 3ig5 s GLN 272 N -0.49 3.88 0.24 0.44 0.74 -0.25 -0.20 119.66 124.02 3ig5 s GLN 272 Ca 0.03 -0.39 0.00 0.00 0.05 0.00 0.00 55.36 55.05 3ig5 s GLN 272 Cb -0.05 -3.19 -0.04 0.00 1.10 0.00 0.00 33.01 30.83 3ig5 s GLN 272 CO -0.00 0.20 0.43 0.00 -0.55 0.00 0.00 175.29 175.36 3ig5 s ALA 273 N 0.57 3.81 0.54 1.58 0.00 -0.67 -4.30 121.76 123.29 3ig5 s ALA 273 Ca 0.02 -0.91 0.25 0.00 0.00 0.00 0.00 51.96 51.33 3ig5 s ALA 273 Cb -0.13 -1.98 1.44 0.00 0.00 0.00 0.00 23.12 22.44 3ig5 s ALA 273 CO 0.01 0.29 2.03 -1.35 0.00 0.00 0.00 175.76 176.74 3ig5 h PRO 274 N 1.57 0.00 -2.58 0.00 0.11 -1.87 -3.40 132.00 125.83 3ig5 h PRO 274 Ca -0.49 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.75 3ig5 h PRO 274 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 3ig5 h PRO 274 CO 0.65 0.00 0.50 0.54 -0.21 0.00 0.00 178.00 179.48 3ig5 s ASN 275 N -6.16 -0.05 0.40 -2.05 2.20 -1.26 -2.36 114.94 105.65 3ig5 s ASN 275 Ca -0.05 -0.69 0.10 0.00 -0.94 0.00 0.00 52.86 51.28 3ig5 s ASN 275 Cb 0.18 0.57 0.89 0.00 -2.00 0.00 0.00 41.25 40.89 3ig5 s ASN 275 CO 0.68 -1.10 1.96 -0.29 -2.94 0.00 0.00 177.10 175.41 3ig5 h ILE 276 N 2.00 0.95 -0.14 0.54 2.10 -1.84 -0.46 117.51 120.65 3ig5 h ILE 276 Ca -0.27 -0.20 -0.13 0.00 1.08 0.00 0.00 64.86 65.34 3ig5 h ILE 276 Cb 1.23 0.32 0.00 0.00 -1.09 0.00 0.00 36.82 37.28 3ig5 h ILE 276 CO 0.34 0.11 -0.41 0.78 -1.08 0.00 0.00 178.15 177.88 3ig5 h ASN 277 N 0.58 0.60 -0.18 2.19 2.35 -1.94 -0.51 115.58 118.67 3ig5 h ASN 277 Ca 0.30 -0.59 -0.04 0.00 -0.55 0.00 0.00 56.30 55.42 3ig5 h ASN 277 Cb 0.43 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 3ig5 h ASN 277 CO -0.10 1.09 -0.01 0.11 -1.65 0.00 0.00 177.43 176.87 3ig5 h LYS 278 N 0.14 0.45 -0.54 0.81 1.79 -1.89 -1.55 116.57 115.78 3ig5 h LYS 278 Ca -0.01 -0.09 -0.10 0.00 -2.18 0.00 0.00 60.65 58.26 3ig5 h LYS 278 Cb 1.03 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.59 3ig5 h LYS 278 CO 0.09 0.49 -0.07 0.00 -1.08 0.00 0.00 179.45 178.88 3ig5 h ALA 279 N 1.56 0.74 -0.53 3.86 0.00 -0.81 -0.80 119.26 123.28 3ig5 h ALA 279 Ca 0.10 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 3ig5 h ALA 279 Cb 0.31 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3ig5 h ALA 279 CO 0.01 0.62 -0.02 0.00 0.00 0.00 0.00 179.25 179.86 3ig5 h ARG 280 N 0.88 0.92 -0.33 0.00 3.08 -0.81 -0.61 114.38 117.51 3ig5 h ARG 280 Ca 0.15 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 3ig5 h ARG 280 Cb 0.62 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3ig5 h ARG 280 CO 0.04 0.92 0.14 -0.92 -1.07 0.00 0.00 179.97 179.08 3ig5 h TYR 281 N 0.85 0.49 -0.35 3.04 3.20 -0.98 -2.06 116.97 121.17 3ig5 h TYR 281 Ca 0.15 -0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.86 3ig5 h TYR 281 Cb 0.52 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 3ig5 h TYR 281 CO 0.03 0.46 -0.30 1.25 -1.64 0.00 0.00 178.16 177.96 3ig5 h LEU 282 N 0.38 0.86 0.27 2.82 5.85 -1.03 -1.87 115.31 122.60 3ig5 h LEU 282 Ca 0.11 -0.45 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 3ig5 h LEU 282 Cb 0.17 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3ig5 h LEU 282 CO -0.01 1.14 -0.23 0.22 -0.34 0.00 0.00 178.44 179.22 3ig5 h TYR 283 N 0.60 -0.60 -0.54 1.25 5.03 -1.01 -2.28 116.97 119.42 3ig5 h TYR 283 Ca 0.06 0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.45 3ig5 h TYR 283 Cb 0.87 0.23 -0.06 0.00 1.55 0.00 0.00 36.73 39.32 3ig5 h TYR 283 CO 0.07 -0.34 0.20 -0.44 -1.32 0.00 0.00 178.16 176.33 3ig5 h ASP 284 N -0.51 0.21 0.21 -2.11 3.32 -1.33 -1.56 116.42 114.65 3ig5 h ASP 284 Ca -0.01 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3ig5 h ASP 284 Cb 0.46 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3ig5 h ASP 284 CO -0.03 0.14 -0.02 0.00 -1.72 0.00 0.00 179.24 177.61 3ig5 h ALA 285 N 1.36 1.15 -0.01 3.45 0.00 -1.00 -2.57 119.26 121.64 3ig5 h ALA 285 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3ig5 h ALA 285 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3ig5 h ALA 285 CO -0.26 0.03 -0.50 1.28 0.00 0.00 0.00 179.25 179.79 3ig5 n LEU 286 N -3.33 1.04 0.02 0.00 4.77 -0.60 -4.47 117.00 114.42 3ig5 n LEU 286 Ca -0.02 -0.31 -0.10 0.00 -0.03 0.00 0.00 56.01 55.54 3ig5 n LEU 286 Cb 0.14 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 3ig5 n LEU 286 CO 0.24 0.22 0.82 0.58 -1.33 0.00 0.00 177.39 177.91 3ig5 h VAL 287 N 0.84 0.79 0.00 4.08 2.07 -1.32 -1.78 116.25 120.93 3ig5 h VAL 287 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3ig5 h VAL 287 Cb 0.55 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3ig5 h VAL 287 CO 0.00 0.00 -0.19 -3.20 0.02 0.00 0.00 177.57 174.20 3ig5 n ASN 288 N -5.20 0.73 0.26 0.57 5.15 -1.26 -2.57 115.26 112.94 3ig5 n ASN 288 Ca -0.05 0.42 0.11 0.00 -0.60 0.00 0.00 54.58 54.46 3ig5 n ASN 288 Cb 0.13 -0.47 0.71 0.00 -0.53 0.00 0.00 39.78 39.61 3ig5 n ASN 288 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 3ig5 h PHE 289 N 0.00 0.00 0.77 1.20 0.04 -1.56 -3.30 116.94 114.09 3ig5 h PHE 289 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 3ig5 h PHE 289 Cb 0.72 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 3ig5 h PHE 289 CO 0.00 0.07 -0.49 0.00 -0.60 0.00 0.00 178.31 177.29 3ig5 h ALA 290 N 1.93 -1.25 -0.10 2.45 0.00 -1.25 0.07 119.26 121.10 3ig5 h ALA 290 Ca -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3ig5 h ALA 290 Cb 0.16 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3ig5 h ALA 290 CO 0.01 -1.22 -0.02 -1.00 0.00 0.00 0.00 179.25 177.02 3ig5 h PRO 291 N -1.19 0.14 -0.33 0.00 0.13 -1.76 -0.37 132.00 128.62 3ig5 h PRO 291 Ca -0.10 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.97 3ig5 h PRO 291 Cb 0.96 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 3ig5 h PRO 291 CO 0.09 0.18 0.05 0.82 -0.23 0.00 0.00 178.00 178.91 3ig5 h ILE 292 N 0.14 1.24 -0.05 -3.56 5.03 -1.58 -2.26 117.51 116.47 3ig5 h ILE 292 Ca 0.04 -0.83 -0.13 0.00 -0.12 0.00 0.00 64.86 63.81 3ig5 h ILE 292 Cb 0.13 1.14 -0.01 0.00 -3.03 0.00 0.00 36.82 35.06 3ig5 h ILE 292 CO 0.00 0.28 -0.57 0.24 -0.68 0.00 0.00 178.15 177.42 3ig5 h MET 293 N 0.38 0.17 0.32 2.37 2.86 -0.22 -0.26 114.93 120.54 3ig5 h MET 293 Ca 0.10 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3ig5 h MET 293 Cb 0.36 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.03 3ig5 h MET 293 CO 0.01 0.70 -0.15 1.25 1.06 0.00 0.00 176.91 179.77 3ig5 h LEU 294 N 0.13 -0.36 -0.53 1.22 5.85 -0.94 -0.06 115.31 120.62 3ig5 h LEU 294 Ca -0.00 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.76 3ig5 h LEU 294 Cb 1.05 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 3ig5 h LEU 294 CO 0.08 -0.23 0.26 0.00 -0.34 0.00 0.00 178.44 178.21 3ig5 h ALA 295 N 0.23 0.68 -0.51 1.25 0.00 -1.28 -2.68 119.26 116.95 3ig5 h ALA 295 Ca -0.04 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ig5 h ALA 295 Cb 0.34 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3ig5 h ALA 295 CO 0.07 -0.09 0.34 0.35 0.00 0.00 0.00 179.25 179.92 3ig5 h PHE 296 N 0.51 0.64 -0.38 0.00 3.57 -0.89 -3.12 116.94 117.26 3ig5 h PHE 296 Ca 0.24 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.75 3ig5 h PHE 296 Cb 0.16 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.69 3ig5 h PHE 296 CO -0.11 0.40 0.00 -1.13 -2.23 0.00 0.00 178.31 175.24 3ig5 n SER 297 N -4.73 2.65 -3.68 0.41 3.41 -0.05 -4.92 113.62 106.71 3ig5 n SER 297 Ca 0.03 -1.92 -0.50 0.00 -0.26 0.00 0.00 58.87 56.22 3ig5 n SER 297 Cb 0.02 -0.25 -0.07 0.00 -0.26 0.00 0.00 64.21 63.65 3ig5 n SER 297 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ig5 n ALA 298 N 0.95 -2.42 -1.75 7.33 0.00 -1.02 -4.43 120.51 119.18 3ig5 n ALA 298 Ca 0.18 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.07 3ig5 n ALA 298 Cb 0.45 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3ig5 n ALA 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ig5 n ALA 299 N 1.84 1.71 -3.49 0.00 0.00 -1.13 -1.85 120.51 117.60 3ig5 n ALA 299 Ca 0.19 -0.74 -0.27 0.00 0.00 0.00 0.00 53.44 52.63 3ig5 n ALA 299 Cb 0.03 -0.31 -0.09 0.00 0.00 0.00 0.00 19.45 19.08 3ig5 n ALA 299 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ig5 n ALA 300 N 0.00 3.18 0.21 0.00 0.00 -0.04 -4.49 120.51 119.37 3ig5 n ALA 300 Ca 0.00 -3.92 0.09 0.00 0.00 0.00 0.00 53.44 49.61 3ig5 n ALA 300 Cb 0.62 -0.87 0.26 0.00 0.00 0.00 0.00 19.45 19.46 3ig5 n ALA 300 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ig5 n PRO 301 N 1.85 2.32 -3.82 0.00 -0.04 -1.26 -3.25 135.00 130.80 3ig5 n PRO 301 Ca 0.25 -2.05 -0.12 0.00 -0.04 0.00 0.00 63.50 61.54 3ig5 n PRO 301 Cb 0.44 -1.45 -0.13 0.00 -0.04 0.00 0.00 33.50 32.32 3ig5 n PRO 301 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ig5 s ALA 302 N -1.26 -0.33 -0.00 0.55 0.00 -1.26 -0.85 121.76 118.61 3ig5 s ALA 302 Ca 0.38 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.76 3ig5 s ALA 302 Cb 0.20 -0.24 -0.00 0.00 0.00 0.00 0.00 23.12 23.08 3ig5 s ALA 302 CO 0.27 -0.07 -0.04 -0.06 0.00 0.00 0.00 175.76 175.85 3ig5 s PHE 303 N 0.16 0.37 -1.30 0.00 0.40 -0.12 -4.78 117.98 112.72 3ig5 s PHE 303 Ca -0.01 -0.07 -0.22 0.00 -0.60 0.00 0.00 56.93 56.03 3ig5 s PHE 303 Cb -0.02 -0.25 0.02 0.00 0.51 0.00 0.00 43.02 43.28 3ig5 s PHE 303 CO -0.00 -0.01 0.52 1.17 0.70 0.00 0.00 175.22 177.60 3ig5 n LYS 304 N 3.04 -0.83 -0.93 0.44 4.81 -1.21 -0.67 118.16 122.81 3ig5 n LYS 304 Ca -0.13 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 3ig5 n LYS 304 Cb 0.58 -3.18 0.00 0.00 0.02 0.00 0.00 35.03 32.45 3ig5 n LYS 304 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ig5 n GLY 305 N -2.14 0.52 3.19 3.14 0.00 -0.01 -4.93 105.19 104.95 3ig5 n GLY 305 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 3ig5 n GLY 305 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ig5 s TRP 306 N -2.38 1.70 0.19 1.61 0.52 0.15 -0.35 118.94 120.38 3ig5 s TRP 306 Ca 0.00 -0.33 -0.30 0.00 0.02 0.00 0.00 56.10 55.49 3ig5 s TRP 306 Cb 0.00 -1.09 -0.09 0.00 -1.15 0.00 0.00 33.47 31.14 3ig5 s TRP 306 CO 0.00 -0.04 1.39 -0.51 0.02 0.00 0.00 176.95 177.81 3ig5 s LEU 307 N -0.42 4.39 0.21 2.99 1.43 0.23 -0.94 118.68 126.57 3ig5 s LEU 307 Ca 0.07 2.48 0.06 0.00 -1.03 0.00 0.00 54.13 55.71 3ig5 s LEU 307 Cb -0.07 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 3ig5 s LEU 307 CO -0.01 -0.63 0.19 0.00 0.23 0.00 0.00 176.35 176.13 3ig5 s ALA 308 N 0.39 3.61 -0.34 4.21 0.00 -0.03 -1.49 121.76 128.12 3ig5 s ALA 308 Ca 0.60 -1.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 3ig5 s ALA 308 Cb -0.39 -1.37 -0.08 0.00 0.00 0.00 0.00 23.12 21.28 3ig5 s ALA 308 CO 0.37 0.36 3.13 -0.25 0.00 0.00 0.00 175.76 179.38 3ig5 n ASP 309 N -0.84 6.09 -3.62 0.00 8.00 0.22 -4.29 116.55 122.11 3ig5 n ASP 309 Ca -0.08 -2.87 -0.07 0.00 0.71 0.00 0.00 54.79 52.48 3ig5 n ASP 309 Cb 0.56 -1.33 -0.02 0.00 -0.02 0.00 0.00 41.12 40.32 3ig5 n ASP 309 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ig5 s GLN 310 N -0.39 1.14 0.00 -1.24 -2.07 -1.26 -3.85 119.66 111.99 3ig5 s GLN 310 Ca 0.63 -0.54 0.00 0.00 -1.82 0.00 0.00 55.36 53.63 3ig5 s GLN 310 Cb 0.34 0.45 0.00 0.00 -1.09 0.00 0.00 33.01 32.71 3ig5 s GLN 310 CO -0.12 -0.51 0.32 -0.25 -1.32 0.00 0.00 175.29 173.41 3ig5 n ASP 311 N -0.37 0.63 -4.37 12.60 8.00 -0.96 -4.39 116.55 127.68 3ig5 n ASP 311 Ca -0.08 -1.01 -0.19 0.00 0.71 0.00 0.00 54.79 54.22 3ig5 n ASP 311 Cb 0.62 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.61 3ig5 n ASP 311 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3ig5 s VAL 312 N -0.01 1.05 -0.81 2.53 -7.23 -1.20 -0.86 120.40 113.87 3ig5 s VAL 312 Ca 0.00 -2.02 0.23 0.00 -1.81 0.00 0.00 61.98 58.38 3ig5 s VAL 312 Cb 0.00 -2.53 -0.11 0.00 0.56 0.00 0.00 36.38 34.30 3ig5 s VAL 312 CO 0.00 -0.18 1.11 -2.11 -0.31 0.00 0.00 175.10 173.61 3ig5 n ARG 313 N -0.52 0.14 0.01 4.82 1.85 -1.26 -4.70 116.66 117.00 3ig5 n ARG 313 Ca -0.03 -0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.71 3ig5 n ARG 313 Cb 0.65 -1.54 -0.03 0.00 -1.05 0.00 0.00 32.46 30.48 3ig5 n ARG 313 CO 0.00 0.00 0.00 2.35 -0.01 0.00 0.00 177.63 179.97 3ig5 h TRP 314 N 0.00 -0.55 0.00 2.89 2.91 -1.97 0.26 115.95 119.49 3ig5 h TRP 314 Ca 0.00 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.01 3ig5 h TRP 314 Cb 0.61 0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 29.51 3ig5 h TRP 314 CO 0.00 -0.29 -0.17 -2.95 -1.03 0.00 0.00 178.44 174.00 3ig5 h ASN 315 N -0.28 0.00 -0.20 2.65 -1.07 -1.97 -0.43 115.58 114.28 3ig5 h ASN 315 Ca 0.09 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 56.38 3ig5 h ASN 315 Cb 0.41 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.66 3ig5 h ASN 315 CO -0.26 0.17 -0.20 0.58 0.07 0.00 0.00 177.43 177.79 3ig5 h VAL 316 N 0.00 1.33 -0.33 6.14 2.07 -1.29 -0.65 116.25 123.51 3ig5 h VAL 316 Ca -0.00 -1.35 -0.06 0.00 0.82 0.00 0.00 66.70 66.10 3ig5 h VAL 316 Cb 0.36 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 3ig5 h VAL 316 CO 0.02 0.41 -0.05 0.40 0.02 0.00 0.00 177.57 178.38 3ig5 h ILE 317 N 0.16 1.21 -0.57 4.57 2.04 -1.01 -0.04 117.51 123.88 3ig5 h ILE 317 Ca 0.03 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 3ig5 h ILE 317 Cb 0.74 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 3ig5 h ILE 317 CO 0.05 0.30 0.35 -1.28 0.00 0.00 0.00 178.15 177.57 3ig5 h SER 318 N 0.51 0.67 0.98 1.72 0.87 -0.83 -2.59 113.55 114.88 3ig5 h SER 318 Ca 0.10 -0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.49 3ig5 h SER 318 Cb 0.40 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 3ig5 h SER 318 CO 0.02 0.52 -0.58 1.23 -0.53 0.00 0.00 176.83 177.49 3ig5 h GLY 319 N 0.76 0.00 2.00 5.77 0.00 -0.85 -3.26 103.07 107.49 3ig5 h GLY 319 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3ig5 h GLY 319 CO -0.04 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.50 3ig5 h ALA 320 N 1.42 1.00 0.00 3.60 0.00 -0.59 -1.81 119.26 122.88 3ig5 h ALA 320 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3ig5 h ALA 320 Cb 1.23 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.90 3ig5 h ALA 320 CO 0.08 0.00 -0.56 1.33 0.00 0.00 0.00 179.25 180.10 3ig5 n VAL 321 N -2.89 0.99 -2.63 0.00 0.24 -1.20 -4.10 118.33 108.73 3ig5 n VAL 321 Ca -0.01 -1.65 -0.42 0.00 -2.04 0.00 0.00 64.34 60.23 3ig5 n VAL 321 Cb 0.18 0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.81 3ig5 n VAL 321 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3ig5 s ASP 322 N -2.30 6.34 -0.00 -1.34 2.15 -0.68 -4.64 116.67 116.21 3ig5 s ASP 322 Ca 0.27 -1.08 0.00 0.00 0.43 0.00 0.00 52.55 52.18 3ig5 s ASP 322 Cb 0.27 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 40.37 3ig5 s ASP 322 CO -0.06 -1.58 0.82 -0.90 -0.17 0.00 0.00 175.17 173.28 3ig5 n ASP 323 N 8.69 0.40 -4.69 -0.34 5.75 -1.26 -4.86 116.55 120.24 3ig5 n ASP 323 Ca 0.16 -2.00 -0.42 0.00 -0.01 0.00 0.00 54.79 52.52 3ig5 n ASP 323 Cb 0.49 -0.19 -0.03 0.00 -1.03 0.00 0.00 41.12 40.37 3ig5 n ASP 323 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3ig5 s ARG 324 N -1.63 4.34 0.84 0.11 0.52 -1.26 -3.93 118.95 117.93 3ig5 s ARG 324 Ca 0.00 1.77 -0.11 0.00 -0.52 0.00 0.00 55.73 56.88 3ig5 s ARG 324 Cb 0.00 -3.54 0.10 0.00 0.52 0.00 0.00 34.95 32.04 3ig5 s ARG 324 CO 0.00 -0.46 1.13 0.95 0.02 0.00 0.00 175.30 176.94 3ig5 s THR 325 N 2.14 2.62 0.41 0.02 -4.23 -1.26 -4.78 115.64 110.56 3ig5 s THR 325 Ca 0.58 0.21 0.15 0.00 -1.18 0.00 0.00 61.69 61.46 3ig5 s THR 325 Cb -0.27 -2.46 0.36 0.00 1.34 0.00 0.00 72.50 71.47 3ig5 s THR 325 CO 0.24 -0.26 1.89 -0.65 -0.54 0.00 0.00 174.62 175.30 3ig5 h PRO 326 N -1.44 0.44 -0.31 3.99 0.11 -1.76 -1.49 132.00 131.53 3ig5 h PRO 326 Ca -0.44 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.67 3ig5 h PRO 326 Cb 1.25 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3ig5 h PRO 326 CO 0.46 0.29 0.15 0.87 -0.21 0.00 0.00 178.00 179.56 3ig5 h LYS 327 N 0.45 0.30 0.00 1.05 1.79 -1.37 0.25 116.57 119.04 3ig5 h LYS 327 Ca 0.42 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.84 3ig5 h LYS 327 Cb 0.96 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.53 3ig5 h LYS 327 CO -0.15 0.20 -0.17 0.93 -1.08 0.00 0.00 179.45 179.17 3ig5 h GLU 328 N 0.31 0.00 -0.12 3.15 5.08 -1.51 -1.90 114.58 119.58 3ig5 h GLU 328 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3ig5 h GLU 328 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3ig5 h GLU 328 CO -0.10 0.17 0.00 0.54 -1.00 0.00 0.00 179.01 178.62 3ig5 n ARG 329 N -4.03 1.76 -3.48 2.33 1.74 -0.67 -1.24 116.66 113.07 3ig5 n ARG 329 Ca -0.02 -1.13 -0.26 0.00 -0.77 0.00 0.00 57.85 55.67 3ig5 n ARG 329 Cb 0.25 -1.43 0.02 0.00 -1.02 0.00 0.00 32.46 30.28 3ig5 n ARG 329 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ig5 n GLY 330 N 1.17 -0.50 3.29 -0.13 0.00 -0.11 -5.00 105.19 103.91 3ig5 n GLY 330 Ca 0.17 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 46.18 3ig5 n GLY 330 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ig5 s VAL 331 N -3.12 0.84 0.48 1.61 -7.23 -0.16 -5.03 120.40 107.80 3ig5 s VAL 331 Ca 0.47 -2.01 -0.20 0.00 -1.81 0.00 0.00 61.98 58.44 3ig5 s VAL 331 Cb -0.24 -2.25 -0.09 0.00 0.56 0.00 0.00 36.38 34.37 3ig5 s VAL 331 CO 0.59 -0.38 1.02 0.00 -0.31 0.00 0.00 175.10 176.01 3ig5 s ALA 332 N -3.55 2.91 0.67 1.32 0.00 -1.26 -4.04 121.76 117.81 3ig5 s ALA 332 Ca 0.27 0.53 -0.17 0.00 0.00 0.00 0.00 51.96 52.59 3ig5 s ALA 332 Cb 0.06 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.96 3ig5 s ALA 332 CO 0.07 -0.25 1.25 -1.25 0.00 0.00 0.00 175.76 175.58 3ig5 s PRO 333 N -3.32 2.43 0.19 0.00 0.04 -1.26 -4.91 135.00 128.17 3ig5 s PRO 333 Ca 0.65 1.94 -0.04 0.00 0.04 0.00 0.00 61.00 63.60 3ig5 s PRO 333 Cb -0.14 -1.85 0.10 0.00 0.04 0.00 0.00 34.50 32.65 3ig5 s PRO 333 CO 0.20 -1.65 1.50 -0.07 0.04 0.00 0.00 177.00 177.01 3ig5 h LEU 334 N 0.27 0.64 -6.72 -3.56 3.38 -1.95 -3.38 115.31 103.98 3ig5 h LEU 334 Ca -0.50 -0.34 -0.60 0.00 0.09 0.00 0.00 57.88 56.53 3ig5 h LEU 334 Cb 1.32 -0.18 -0.39 0.00 0.09 0.00 0.00 40.66 41.49 3ig5 h LEU 334 CO 0.52 1.06 -0.81 -0.76 0.09 0.00 0.00 178.44 178.54 3ig5 s LEU 335 N -8.35 2.16 0.58 1.67 1.43 -1.26 -5.00 118.68 109.90 3ig5 s LEU 335 Ca -0.07 -2.80 0.27 0.00 -1.03 0.00 0.00 54.13 50.49 3ig5 s LEU 335 Cb 0.11 -0.78 1.67 0.00 0.03 0.00 0.00 46.19 47.22 3ig5 s LEU 335 CO 0.84 -0.23 2.18 -0.65 0.23 0.00 0.00 176.35 178.73 3ig5 h PRO 336 N 6.31 0.00 -0.03 1.29 0.11 -1.78 -0.06 132.00 137.85 3ig5 h PRO 336 Ca 0.11 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.13 3ig5 h PRO 336 Cb 0.91 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 3ig5 h PRO 336 CO 0.43 0.00 -0.38 0.87 -0.21 0.00 0.00 178.00 178.70 3ig5 h LYS 337 N 0.00 0.05 0.03 1.05 1.57 -1.97 -3.31 116.57 113.99 3ig5 h LYS 337 Ca 0.04 -0.02 -0.39 0.00 -1.87 0.00 0.00 60.65 58.41 3ig5 h LYS 337 Cb 0.20 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 3ig5 h LYS 337 CO -0.00 0.43 -2.25 0.66 -0.57 0.00 0.00 179.45 177.72 3ig5 n TYR 338 N -4.07 0.40 -3.13 -1.35 4.01 -0.41 -4.76 117.16 107.84 3ig5 n TYR 338 Ca -0.02 0.11 -0.45 0.00 -0.16 0.00 0.00 57.90 57.38 3ig5 n TYR 338 Cb 0.43 -1.05 -0.02 0.00 -0.31 0.00 0.00 39.34 38.39 3ig5 n TYR 338 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3ig5 s ASN 339 N -6.90 6.70 -0.27 7.72 3.84 -0.17 -4.98 114.94 120.88 3ig5 s ASN 339 Ca -0.32 -2.38 -0.29 0.00 0.21 0.00 0.00 52.86 50.08 3ig5 s ASN 339 Cb 0.09 -2.30 -0.03 0.00 -0.55 0.00 0.00 41.25 38.47 3ig5 s ASN 339 CO 0.61 -0.81 1.77 -0.75 -2.79 0.00 0.00 177.10 175.13 3ig5 s LYS 340 N 1.39 3.51 0.00 0.43 2.20 -1.26 -2.38 119.74 123.63 3ig5 s LYS 340 Ca 0.25 1.59 0.00 0.00 -0.36 0.00 0.00 55.97 57.45 3ig5 s LYS 340 Cb -0.08 -4.15 0.00 0.00 -1.51 0.00 0.00 37.83 32.09 3ig5 s LYS 340 CO -0.09 -1.65 0.00 0.09 -0.36 0.00 0.00 175.35 173.34 3ig5 n ASN 341 N 9.64 -3.12 0.00 1.43 5.03 -1.26 -2.19 115.26 124.79 3ig5 n ASN 341 Ca 0.22 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.67 3ig5 n ASN 341 Cb 0.46 -2.31 0.00 0.00 -1.02 0.00 0.00 39.78 36.91 3ig5 n ASN 341 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ig5 n GLY 342 N -0.87 0.57 0.97 7.41 0.00 -1.00 -4.79 105.19 107.47 3ig5 n GLY 342 Ca 0.00 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.87 3ig5 n GLY 342 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ig5 n PHE 343 N -2.80 0.52 0.00 1.61 3.01 -0.93 -1.39 117.46 117.49 3ig5 n PHE 343 Ca 0.00 -0.26 0.00 0.00 1.01 0.00 0.00 57.45 58.20 3ig5 n PHE 343 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 3ig5 n PHE 343 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ig5 n GLY 344 N 1.38 2.75 1.55 1.37 0.00 -1.26 -1.00 105.19 109.98 3ig5 n GLY 344 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3ig5 n GLY 344 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ig5 n GLY 345 N 0.00 2.78 3.72 -0.02 0.00 0.95 -4.70 105.19 107.91 3ig5 n GLY 345 Ca 0.00 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 3ig5 n GLY 345 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ig5 s ILE 346 N -2.24 4.11 0.24 -0.61 1.01 -0.17 -4.86 121.20 118.69 3ig5 s ILE 346 Ca 0.38 1.57 -0.31 0.00 0.00 0.00 0.00 60.65 62.29 3ig5 s ILE 346 Cb 0.30 -4.01 -0.12 0.00 0.01 0.00 0.00 42.46 38.64 3ig5 s ILE 346 CO 0.10 0.15 1.67 0.00 0.00 0.00 0.00 174.94 176.87 3ig5 s ALA 347 N 0.77 3.86 0.24 9.38 0.00 -1.26 -4.86 121.76 129.89 3ig5 s ALA 347 Ca 0.56 1.58 -0.12 0.00 0.00 0.00 0.00 51.96 53.98 3ig5 s ALA 347 Cb -0.28 -3.68 0.33 0.00 0.00 0.00 0.00 23.12 19.49 3ig5 s ALA 347 CO 0.30 -0.95 1.58 -0.22 0.00 0.00 0.00 175.76 176.48 3ig5 h LYS 348 N 6.00 -0.01 0.00 0.00 1.63 -1.98 -1.45 116.57 120.75 3ig5 h LYS 348 Ca -0.45 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 3ig5 h LYS 348 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 3ig5 h LYS 348 CO 0.89 -0.01 0.00 -0.40 -3.45 0.00 0.00 179.45 176.48 3ig5 n ASP 349 N -5.53 0.00 -0.10 4.20 5.75 -1.26 -1.81 116.55 117.80 3ig5 n ASP 349 Ca 0.12 -0.55 0.01 0.00 -0.01 0.00 0.00 54.79 54.35 3ig5 n ASP 349 Cb 0.42 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.53 3ig5 n ASP 349 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 3ig5 n VAL 350 N -0.88 0.47 0.19 2.12 0.24 -0.57 -4.79 118.33 115.12 3ig5 n VAL 350 Ca 0.08 -0.51 0.04 0.00 -2.04 0.00 0.00 64.34 61.91 3ig5 n VAL 350 Cb 0.04 0.64 0.38 0.00 -1.47 0.00 0.00 33.84 33.43 3ig5 n VAL 350 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 3ig5 h GLN 351 N 0.00 0.00 0.00 7.34 4.20 -1.15 -2.51 115.11 123.00 3ig5 h GLN 351 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ig5 h GLN 351 Cb 0.94 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.72 3ig5 h GLN 351 CO 0.00 0.36 0.00 0.38 -0.67 0.00 0.00 178.83 178.90 3ig5 h ASP 352 N 0.00 0.00 -0.09 1.46 2.03 -1.87 -2.29 116.42 115.66 3ig5 h ASP 352 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3ig5 h ASP 352 Cb 0.70 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.20 3ig5 h ASP 352 CO 0.05 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.55 3ig5 n LYS 353 N -2.43 1.66 -2.40 4.15 4.76 -0.94 -4.96 118.16 118.00 3ig5 n LYS 353 Ca 0.01 -0.98 -0.42 0.00 -2.87 0.00 0.00 58.31 54.05 3ig5 n LYS 353 Cb 0.22 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 31.95 3ig5 n LYS 353 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3ig5 s VAL 354 N -1.90 4.08 0.16 -0.18 1.01 -0.87 -5.02 120.40 117.69 3ig5 s VAL 354 Ca 0.35 1.45 0.03 0.00 0.00 0.00 0.00 61.98 63.81 3ig5 s VAL 354 Cb 0.19 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3ig5 s VAL 354 CO 0.30 0.03 0.24 -0.76 0.00 0.00 0.00 175.10 174.90 3ig5 s LEU 355 N 1.92 4.16 -0.03 3.92 1.43 -1.26 -5.04 118.68 123.78 3ig5 s LEU 355 Ca 0.58 0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 53.45 3ig5 s LEU 355 Cb -0.27 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.18 3ig5 s LEU 355 CO 0.25 0.06 0.98 -1.61 0.23 0.00 0.00 176.35 176.25 3ig5 s GLU 356 N -3.20 4.52 -0.16 1.70 2.02 -1.26 -4.37 118.70 117.94 3ig5 s GLU 356 Ca 0.33 1.40 0.01 0.00 0.02 0.00 0.00 54.97 56.73 3ig5 s GLU 356 Cb -0.11 -3.48 0.02 0.00 0.10 0.00 0.00 34.13 30.66 3ig5 s GLU 356 CO 0.27 -0.12 -0.20 0.42 0.02 0.00 0.00 175.26 175.64 3ig5 s ILE 357 N 1.28 2.03 0.16 -1.63 1.01 -0.38 -4.86 121.20 118.82 3ig5 s ILE 357 Ca 0.51 -0.93 0.25 0.00 0.00 0.00 0.00 60.65 60.47 3ig5 s ILE 357 Cb -0.20 -1.82 0.25 0.00 0.01 0.00 0.00 42.46 40.70 3ig5 s ILE 357 CO 0.25 0.54 1.86 1.55 0.00 0.00 0.00 174.94 179.14 3ig5 h PRO 358 N 7.74 0.00 -4.55 2.79 0.13 -1.87 -3.42 132.00 132.82 3ig5 h PRO 358 Ca -0.41 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.44 3ig5 h PRO 358 Cb 1.16 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.07 3ig5 h PRO 358 CO 0.61 0.20 -0.73 0.15 -0.23 0.00 0.00 178.00 177.99 3ig5 s LYS 359 N -3.71 0.52 0.73 0.86 1.02 -1.26 -5.12 119.74 112.78 3ig5 s LYS 359 Ca 0.00 -0.74 -0.16 0.00 0.02 0.00 0.00 55.97 55.09 3ig5 s LYS 359 Cb 0.10 -0.29 -0.01 0.00 -0.52 0.00 0.00 37.83 37.12 3ig5 s LYS 359 CO 0.62 0.05 0.81 0.45 -0.92 0.00 0.00 175.35 176.37 3ig5 n SER 360 N 1.51 -0.14 0.10 2.83 2.88 -1.26 -4.89 113.62 114.65 3ig5 n SER 360 Ca -0.23 0.63 0.10 0.00 -1.33 0.00 0.00 58.87 58.04 3ig5 n SER 360 Cb 0.55 -1.34 0.44 0.00 -0.75 0.00 0.00 64.21 63.10 3ig5 n SER 360 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3ig5 n ARG 361 N -1.53 0.13 -3.50 -1.46 1.85 -1.26 -3.48 116.66 107.40 3ig5 n ARG 361 Ca 0.12 0.45 -0.42 0.00 -1.00 0.00 0.00 57.85 56.99 3ig5 n ARG 361 Cb 0.50 -1.79 -0.08 0.00 -1.05 0.00 0.00 32.46 30.04 3ig5 n ARG 361 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 3ig5 s TYR 362 N -3.28 3.38 0.07 2.89 5.04 -1.26 -0.74 117.35 123.45 3ig5 s TYR 362 Ca 0.03 -1.70 -0.27 0.00 -2.44 0.00 0.00 57.07 52.69 3ig5 s TYR 362 Cb 0.08 -3.50 0.08 0.00 0.35 0.00 0.00 41.96 38.97 3ig5 s TYR 362 CO 0.29 -0.98 0.96 -1.54 -1.34 0.00 0.00 175.55 172.94 3ig5 s SER 363 N 2.81 -0.24 0.69 4.32 1.04 -0.26 -4.47 113.70 117.60 3ig5 s SER 363 Ca 0.05 -0.23 -0.17 0.00 0.48 0.00 0.00 55.95 56.08 3ig5 s SER 363 Cb -0.27 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.28 3ig5 s SER 363 CO 0.00 -0.74 1.21 -1.54 0.98 0.00 0.00 173.24 173.16 3ig5 n SER 364 N -0.38 1.58 -4.54 7.02 3.41 -1.26 -3.80 113.62 115.65 3ig5 n SER 364 Ca -0.07 0.76 -0.60 0.00 -0.26 0.00 0.00 58.87 58.70 3ig5 n SER 364 Cb 0.61 -1.52 -0.08 0.00 -0.26 0.00 0.00 64.21 62.96 3ig5 n SER 364 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3ig5 n VAL 365 N -2.26 0.00 0.04 -3.33 0.31 -1.26 -4.77 118.33 107.06 3ig5 n VAL 365 Ca 0.15 -0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.39 3ig5 n VAL 365 Cb 0.49 -0.11 -0.13 0.00 -0.91 0.00 0.00 33.84 33.18 3ig5 n VAL 365 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3ig5 h ASP 366 N 3.35 0.06 -3.65 4.52 3.32 -1.99 -3.49 116.42 118.54 3ig5 h ASP 366 Ca -0.50 -0.07 -0.25 0.00 0.02 0.00 0.00 57.03 56.23 3ig5 h ASP 366 Cb 1.42 -0.02 -0.30 0.00 0.22 0.00 0.00 39.33 40.65 3ig5 h ASP 366 CO 0.70 1.06 -0.71 -0.76 -1.72 0.00 0.00 179.24 177.81 3ig5 s LEU 367 N -6.57 1.61 0.40 1.55 1.43 -1.26 -4.92 118.68 110.92 3ig5 s LEU 367 Ca -0.02 0.05 -0.26 0.00 -1.03 0.00 0.00 54.13 52.87 3ig5 s LEU 367 Cb 0.09 0.03 -0.09 0.00 0.03 0.00 0.00 46.19 46.25 3ig5 s LEU 367 CO 0.83 -0.05 1.24 -0.36 0.23 0.00 0.00 176.35 178.23 3ig5 s PHE 368 N 0.40 2.95 0.04 0.29 0.08 -1.26 -4.94 117.98 115.53 3ig5 s PHE 368 Ca -0.03 1.48 0.10 0.00 0.12 0.00 0.00 56.93 58.60 3ig5 s PHE 368 Cb -0.05 -3.54 -0.17 0.00 -0.57 0.00 0.00 43.02 38.70 3ig5 s PHE 368 CO -0.01 -1.71 1.18 -0.07 -0.10 0.00 0.00 175.22 174.51 3ig5 h LEU 369 N 2.68 0.00 0.00 -0.37 3.38 -1.87 -3.47 115.31 115.66 3ig5 h LEU 369 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3ig5 h LEU 369 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3ig5 h LEU 369 CO 0.63 0.91 0.00 0.61 0.09 0.00 0.00 178.44 180.67 3ig5 n GLY 370 N 1.37 0.47 0.93 0.83 0.00 -1.26 -3.85 105.19 103.68 3ig5 n GLY 370 Ca -0.03 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3ig5 n GLY 370 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ig5 n GLY 371 N 0.00 0.77 3.55 -0.02 0.00 -1.26 -4.69 105.19 103.54 3ig5 n GLY 371 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3ig5 n GLY 371 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ig5 s SER 372 N -2.28 3.63 0.50 1.61 1.04 -1.26 -5.01 113.70 111.93 3ig5 s SER 372 Ca 0.00 -1.26 0.15 0.00 0.48 0.00 0.00 55.95 55.32 3ig5 s SER 372 Cb 0.00 -0.34 1.18 0.00 0.10 0.00 0.00 66.02 66.97 3ig5 s SER 372 CO 0.00 -0.31 2.11 0.07 0.98 0.00 0.00 173.24 176.09 3ig5 h LYS 373 N 1.97 0.03 0.00 4.02 2.10 -1.98 -2.62 116.57 120.09 3ig5 h LYS 373 Ca -0.42 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 3ig5 h LYS 373 Cb 1.25 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3ig5 h LYS 373 CO 0.73 0.06 -0.35 1.19 -2.00 0.00 0.00 179.45 179.08 3ig5 n PHE 374 N -4.48 0.05 -2.60 0.07 3.72 -1.26 -4.89 117.46 108.06 3ig5 n PHE 374 Ca -0.03 0.01 -0.37 0.00 -0.05 0.00 0.00 57.45 57.02 3ig5 n PHE 374 Cb 0.13 -0.36 -0.05 0.00 -0.94 0.00 0.00 39.48 38.26 3ig5 n PHE 374 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3ig5 s PHE 375 N -3.01 3.41 -0.09 1.38 5.36 -0.99 -4.89 117.98 119.14 3ig5 s PHE 375 Ca 0.12 1.68 -0.05 0.00 -0.96 0.00 0.00 56.93 57.71 3ig5 s PHE 375 Cb 0.18 -3.09 0.04 0.00 -0.34 0.00 0.00 43.02 39.80 3ig5 s PHE 375 CO 0.65 -0.41 0.22 1.21 -1.46 0.00 0.00 175.22 175.43 3ig5 s ASN 376 N -1.51 -0.23 0.60 6.13 3.84 -1.26 -4.91 114.94 117.61 3ig5 s ASN 376 Ca 0.54 0.46 0.34 0.00 0.21 0.00 0.00 52.86 54.42 3ig5 s ASN 376 Cb -0.22 0.38 1.96 0.00 -0.55 0.00 0.00 41.25 42.81 3ig5 s ASN 376 CO 0.28 -0.14 2.26 -0.09 -2.79 0.00 0.00 177.10 176.62 3ig5 h ARG 377 N 6.80 0.00 0.00 0.43 2.43 -1.97 -1.58 114.38 120.49 3ig5 h ARG 377 Ca -0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 3ig5 h ARG 377 Cb 1.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3ig5 h ARG 377 CO 0.38 0.02 0.00 1.79 -1.51 0.00 0.00 179.97 180.65 3ig5 h THR 378 N 0.00 0.00 0.00 0.20 1.35 -2.02 -1.92 112.91 110.51 3ig5 h THR 378 Ca -0.00 -0.15 -0.05 0.00 -0.55 0.00 0.00 66.41 65.66 3ig5 h THR 378 Cb 0.06 0.96 -0.01 0.00 -1.73 0.00 0.00 68.15 67.44 3ig5 h THR 378 CO 0.00 0.00 -0.23 1.88 -0.25 0.00 0.00 175.52 176.93 3ig5 h TYR 379 N 0.00 0.00 -1.06 4.73 0.05 -1.64 -3.32 116.97 115.73 3ig5 h TYR 379 Ca 0.00 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.11 3ig5 h TYR 379 Cb 0.18 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 37.82 3ig5 h TYR 379 CO 0.00 0.23 1.97 -0.80 -1.05 0.00 0.00 178.16 178.50 3ig5 s ASN 380 N -6.35 6.79 -0.24 3.88 0.01 -0.72 -1.31 114.94 117.00 3ig5 s ASN 380 Ca -0.02 -2.30 0.11 0.00 -0.71 0.00 0.00 52.86 49.95 3ig5 s ASN 380 Cb 0.12 -2.56 0.46 0.00 0.41 0.00 0.00 41.25 39.69 3ig5 s ASN 380 CO 0.64 -1.20 1.36 -0.90 -1.51 0.00 0.00 177.10 175.49 3ig5 n ASP 381 N 8.21 2.36 -4.55 -1.22 5.75 -1.25 -5.02 116.55 120.82 3ig5 n ASP 381 Ca 0.44 -3.69 -0.27 0.00 -0.01 0.00 0.00 54.79 51.26 3ig5 n ASP 381 Cb 0.47 -0.58 -0.10 0.00 -1.03 0.00 0.00 41.12 39.88 3ig5 n ASP 381 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3ig5 s THR 382 N -3.18 1.46 -0.43 2.12 -4.23 -1.26 -4.79 115.64 105.32 3ig5 s THR 382 Ca 0.41 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.64 3ig5 s THR 382 Cb 0.38 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.53 3ig5 s THR 382 CO -0.01 0.00 1.51 0.21 -0.54 0.00 0.00 174.62 175.79 3ig5 s ASN 383 N -3.68 6.16 -0.39 3.99 2.47 -1.26 -4.96 114.94 117.26 3ig5 s ASN 383 Ca 0.28 0.79 0.01 0.00 0.42 0.00 0.00 52.86 54.36 3ig5 s ASN 383 Cb 0.07 -2.54 0.14 0.00 -1.45 0.00 0.00 41.25 37.47 3ig5 s ASN 383 CO 0.14 -1.59 0.23 -0.69 -3.72 0.00 0.00 177.10 171.47 3ig5 s VAL 384 N 6.02 0.61 0.36 -5.21 1.01 -1.26 -4.79 120.40 117.15 3ig5 s VAL 384 Ca 0.64 -2.08 -0.26 0.00 0.00 0.00 0.00 61.98 60.28 3ig5 s VAL 384 Cb -0.15 -1.44 -0.12 0.00 0.00 0.00 0.00 36.38 34.67 3ig5 s VAL 384 CO 0.31 -0.97 0.99 -2.65 0.00 0.00 0.00 175.10 172.78 3ig5 n PRO 385 N 3.79 1.34 -4.23 2.72 -0.02 -1.26 -4.98 135.00 132.34 3ig5 n PRO 385 Ca 0.12 0.47 -0.17 0.00 -2.02 0.00 0.00 63.50 61.91 3ig5 n PRO 385 Cb 0.37 -1.94 -0.11 0.00 -0.02 0.00 0.00 33.50 31.80 3ig5 n PRO 385 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3ig5 s ILE 386 N -1.20 1.25 -0.63 4.25 -4.36 -1.26 -4.43 121.20 114.82 3ig5 s ILE 386 Ca 0.61 -1.78 -0.24 0.00 -0.26 0.00 0.00 60.65 58.98 3ig5 s ILE 386 Cb -0.62 -1.57 0.05 0.00 1.25 0.00 0.00 42.46 41.58 3ig5 s ILE 386 CO 0.58 -0.50 1.01 0.21 0.24 0.00 0.00 174.94 176.49 3ig5 s ASN 387 N -2.60 6.24 0.33 4.36 3.84 0.32 -4.93 114.94 122.50 3ig5 s ASN 387 Ca 0.10 -0.65 0.01 0.00 0.21 0.00 0.00 52.86 52.53 3ig5 s ASN 387 Cb -0.03 -2.45 0.57 0.00 -0.55 0.00 0.00 41.25 38.79 3ig5 s ASN 387 CO 0.02 -1.43 2.00 -0.33 -2.79 0.00 0.00 177.10 174.57 3ig5 h GLU 388 N 9.55 0.91 -0.55 0.43 5.08 -1.97 -1.60 114.58 126.44 3ig5 h GLU 388 Ca -0.28 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.04 3ig5 h GLU 388 Cb 1.07 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 3ig5 h GLU 388 CO 1.17 0.61 0.36 -0.22 -1.00 0.00 0.00 179.01 179.92 3ig5 h LYS 389 N 0.94 0.71 -0.05 2.33 3.64 -1.98 0.15 116.57 122.31 3ig5 h LYS 389 Ca 0.25 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3ig5 h LYS 389 Cb -0.11 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.55 3ig5 h LYS 389 CO -0.05 0.47 0.01 0.28 -2.27 0.00 0.00 179.45 177.88 3ig5 h VAL 390 N 0.73 1.21 -0.42 2.00 2.07 -1.71 -2.00 116.25 118.14 3ig5 h VAL 390 Ca 0.21 -0.65 0.09 0.00 0.82 0.00 0.00 66.70 67.17 3ig5 h VAL 390 Cb -0.06 1.55 -0.09 0.00 -1.52 0.00 0.00 31.29 31.17 3ig5 h VAL 390 CO -0.05 0.18 -0.22 0.25 0.02 0.00 0.00 177.57 177.74 3ig5 h LEU 391 N -0.16 -0.75 -0.45 2.57 5.85 -0.98 -1.24 115.31 120.15 3ig5 h LEU 391 Ca 0.02 0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.99 3ig5 h LEU 391 Cb 0.28 0.39 -0.09 0.00 0.37 0.00 0.00 40.66 41.61 3ig5 h LEU 391 CO 0.00 -0.25 -0.16 1.23 -0.34 0.00 0.00 178.44 178.92 3ig5 h GLY 392 N -0.14 0.22 1.96 3.75 0.00 -0.49 -0.49 103.07 107.87 3ig5 h GLY 392 Ca 0.20 0.21 -0.12 0.00 0.00 0.00 0.00 47.33 47.62 3ig5 h GLY 392 CO -0.50 -0.19 -0.55 -0.09 0.00 0.00 0.00 176.54 175.21 3ig5 h ARG 393 N -0.06 0.04 0.01 4.80 9.65 -0.83 -0.77 114.38 127.21 3ig5 h ARG 393 Ca 0.22 -0.02 -0.19 0.00 -1.10 0.00 0.00 59.98 58.88 3ig5 h ARG 393 Cb 0.40 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.96 3ig5 h ARG 393 CO -0.50 0.58 -0.89 -0.07 2.80 0.00 0.00 179.97 181.89 3ig5 h LEU 394 N 0.03 0.05 -0.21 3.80 3.38 -0.61 -3.24 115.31 118.51 3ig5 h LEU 394 Ca -0.00 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3ig5 h LEU 394 Cb 0.98 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3ig5 h LEU 394 CO 0.07 0.91 -0.08 -0.07 0.09 0.00 0.00 178.44 179.36 3ig5 h LEU 395 N 0.02 0.44 -7.40 1.67 3.38 -0.78 0.47 115.31 113.11 3ig5 h LEU 395 Ca -0.02 -0.40 -0.62 0.00 0.09 0.00 0.00 57.88 56.94 3ig5 h LEU 395 Cb 1.56 -0.12 -0.40 0.00 0.09 0.00 0.00 40.66 41.79 3ig5 h LEU 395 CO 0.12 0.73 -0.74 -1.61 0.09 0.00 0.00 178.44 177.03 3ig5 s GLU 396 N -4.64 1.06 0.24 1.13 0.41 -0.32 -4.20 118.70 112.37 3ig5 s GLU 396 Ca -0.14 -1.44 -0.18 0.00 -0.41 0.00 0.00 54.97 52.80 3ig5 s GLU 396 Cb 0.07 -2.54 0.02 0.00 -1.78 0.00 0.00 34.13 29.89 3ig5 s GLU 396 CO 0.76 -0.97 0.60 0.54 -0.49 0.00 0.00 175.26 175.70 3ig5 s ASN 397 N 1.29 -0.23 0.00 -0.19 2.20 -1.25 -4.59 114.94 112.16 3ig5 s ASN 397 Ca 0.10 -0.62 0.25 0.00 -0.94 0.00 0.00 52.86 51.65 3ig5 s ASN 397 Cb -0.18 0.65 0.41 0.00 -2.00 0.00 0.00 41.25 40.13 3ig5 s ASN 397 CO -0.17 -1.20 1.39 -0.90 -2.94 0.00 0.00 177.10 173.28 3ig5 n ASP 398 N -0.40 2.65 -0.10 3.54 5.68 -1.26 -4.24 116.55 122.41 3ig5 n ASP 398 Ca -0.06 -1.88 -0.14 0.00 -0.50 0.00 0.00 54.79 52.22 3ig5 n ASP 398 Cb 0.61 -0.01 -0.09 0.00 -1.14 0.00 0.00 41.12 40.49 3ig5 n ASP 398 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3ig5 n LYS 399 N 1.06 0.47 -2.83 0.11 5.02 -1.26 -4.95 118.16 115.79 3ig5 n LYS 399 Ca 0.15 0.12 -0.02 0.00 -2.02 0.00 0.00 58.31 56.55 3ig5 n LYS 399 Cb 0.54 -1.36 0.01 0.00 -0.02 0.00 0.00 35.03 34.20 3ig5 n LYS 399 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ig5 s ALA 400 N -2.38 -3.22 0.21 7.82 0.00 -1.26 -4.49 121.76 118.43 3ig5 s ALA 400 Ca -0.26 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 51.68 3ig5 s ALA 400 Cb 0.07 -2.85 -0.09 0.00 0.00 0.00 0.00 23.12 20.25 3ig5 s ALA 400 CO 0.43 -2.36 1.32 -1.25 0.00 0.00 0.00 175.76 173.90 3ig5 s PRO 401 N 1.28 4.38 0.21 0.00 0.04 -1.26 -4.88 135.00 134.77 3ig5 s PRO 401 Ca 0.23 2.07 0.05 0.00 0.04 0.00 0.00 61.00 63.39 3ig5 s PRO 401 Cb 0.03 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 3ig5 s PRO 401 CO -0.09 -0.26 0.24 -0.51 0.04 0.00 0.00 177.00 176.43 3ig5 s LEU 402 N -0.20 4.06 0.84 -3.56 1.43 0.15 -5.01 118.68 116.39 3ig5 s LEU 402 Ca 0.56 -0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 53.51 3ig5 s LEU 402 Cb -0.37 -2.62 0.10 0.00 0.03 0.00 0.00 46.19 43.33 3ig5 s LEU 402 CO 0.39 -0.00 1.10 1.51 0.23 0.00 0.00 176.35 179.58 3ig5 s ASP 403 N -3.58 3.86 0.30 2.29 1.47 -1.26 -4.60 116.67 115.15 3ig5 s ASP 403 Ca 0.33 1.79 0.03 0.00 1.18 0.00 0.00 52.55 55.88 3ig5 s ASP 403 Cb -0.09 -2.43 0.46 0.00 -0.34 0.00 0.00 42.92 40.52 3ig5 s ASP 403 CO 0.26 -2.44 1.77 0.22 0.68 0.00 0.00 175.17 175.66 3ig5 h TYR 404 N -1.41 0.55 -0.14 2.11 3.20 -1.98 -1.66 116.97 117.64 3ig5 h TYR 404 Ca -0.46 -0.10 -0.22 0.00 3.14 0.00 0.00 58.73 61.10 3ig5 h TYR 404 Cb 1.25 -0.14 0.01 0.00 1.54 0.00 0.00 36.73 39.39 3ig5 h TYR 404 CO 0.52 0.65 -0.78 -0.44 -1.64 0.00 0.00 178.16 176.47 3ig5 h ASP 405 N 0.46 0.87 -0.31 -2.11 3.32 -1.92 -0.98 116.42 115.74 3ig5 h ASP 405 Ca 0.08 -0.58 -0.04 0.00 0.02 0.00 0.00 57.03 56.51 3ig5 h ASP 405 Cb 0.56 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3ig5 h ASP 405 CO 0.04 1.37 0.04 0.25 -1.72 0.00 0.00 179.24 179.21 3ig5 h LEU 406 N 0.50 0.51 -0.72 1.55 5.85 -1.64 -2.81 115.31 118.55 3ig5 h LEU 406 Ca -0.05 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.44 3ig5 h LEU 406 Cb 1.40 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.24 3ig5 h LEU 406 CO 0.16 0.66 0.42 0.00 -0.34 0.00 0.00 178.44 179.34 3ig5 h ALA 407 N 0.87 0.96 -0.81 1.25 0.00 -1.25 -1.87 119.26 118.41 3ig5 h ALA 407 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3ig5 h ALA 407 Cb 0.37 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3ig5 h ALA 407 CO 0.01 0.14 0.53 -0.22 0.00 0.00 0.00 179.25 179.71 3ig5 h LYS 408 N 0.79 0.95 -0.31 0.00 3.64 -1.06 -0.02 116.57 120.56 3ig5 h LYS 408 Ca 0.31 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 3ig5 h LYS 408 Cb 0.14 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 3ig5 h LYS 408 CO -0.16 0.63 0.13 1.25 -2.27 0.00 0.00 179.45 179.03 3ig5 h HIS 409 N 0.98 0.24 -0.12 1.91 2.76 -1.08 -1.36 115.15 118.48 3ig5 h HIS 409 Ca 0.33 0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.36 3ig5 h HIS 409 Cb 0.07 -0.06 0.01 0.00 1.55 0.00 0.00 27.41 28.97 3ig5 h HIS 409 CO -0.00 0.12 -0.51 0.74 -1.30 0.00 0.00 177.93 176.98 3ig5 h PHE 410 N 0.28 0.74 -0.64 5.26 0.04 -1.33 -2.29 116.94 119.00 3ig5 h PHE 410 Ca 0.14 -0.32 0.16 0.00 2.80 0.00 0.00 57.97 60.75 3ig5 h PHE 410 Cb 0.08 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 3ig5 h PHE 410 CO -0.12 1.10 0.45 0.00 -0.60 0.00 0.00 178.31 179.14 3ig5 h ALA 411 N 0.49 2.43 0.02 2.45 0.00 -0.85 -0.85 119.26 122.95 3ig5 h ALA 411 Ca -0.03 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 3ig5 h ALA 411 Cb 1.15 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.97 3ig5 h ALA 411 CO 0.11 -0.61 -0.97 1.25 0.00 0.00 0.00 179.25 179.03 3ig5 h HIS 412 N 0.12 0.93 -0.63 0.00 -0.00 -0.87 0.93 115.15 115.64 3ig5 h HIS 412 Ca 0.31 -0.53 0.10 0.00 -0.00 0.00 0.00 60.37 60.25 3ig5 h HIS 412 Cb 1.04 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 28.32 3ig5 h HIS 412 CO -0.00 1.36 0.42 -0.07 -0.00 0.00 0.00 177.93 179.64 3ig5 h LEU 413 N 0.24 0.41 -1.31 0.26 3.38 -0.77 -2.15 115.31 115.37 3ig5 h LEU 413 Ca -0.13 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3ig5 h LEU 413 Cb 1.65 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.32 3ig5 h LEU 413 CO 0.19 0.25 0.00 -1.22 0.09 0.00 0.00 178.44 177.75 3ig5 n TYR 414 N -4.47 0.45 1.31 1.13 4.02 -0.41 -3.34 117.16 115.85 3ig5 n TYR 414 Ca 0.10 -0.17 0.14 0.00 -0.01 0.00 0.00 57.90 57.96 3ig5 n TYR 414 Cb 0.36 -0.13 0.65 0.00 -0.02 0.00 0.00 39.34 40.21 3ig5 n TYR 414 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 3ig5 n ILE 415 N 0.14 0.00 -3.83 -0.72 -5.35 -0.81 -4.69 119.36 104.11 3ig5 n ILE 415 Ca 0.07 -0.02 -0.29 0.00 -0.27 0.00 0.00 62.75 62.24 3ig5 n ILE 415 Cb 0.37 -0.32 -0.04 0.00 -1.74 0.00 0.00 39.64 37.91 3ig5 n ILE 415 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3ig5 s ARG 416 N -2.65 3.49 0.41 6.28 1.81 -1.21 -5.04 118.95 122.04 3ig5 s ARG 416 Ca 0.25 -0.38 -0.15 0.00 -1.72 0.00 0.00 55.73 53.73 3ig5 s ARG 416 Cb 0.20 -2.95 -0.08 0.00 -0.45 0.00 0.00 34.95 31.67 3ig5 s ARG 416 CO 0.50 0.52 0.85 -0.51 -0.68 0.00 0.00 175.30 175.98 3ig5 s ASP 417 N -2.76 6.71 0.26 0.23 1.01 -1.26 -5.06 116.67 115.80 3ig5 s ASP 417 Ca 0.37 1.40 -0.30 0.00 0.71 0.00 0.00 52.55 54.73 3ig5 s ASP 417 Cb -0.12 -2.43 -0.11 0.00 1.01 0.00 0.00 42.92 41.28 3ig5 s ASP 417 CO 0.28 -0.38 1.50 -2.84 0.21 0.00 0.00 175.17 173.94 3ig5 s PRO 418 N -3.51 4.21 -0.02 8.23 0.02 -1.26 -4.93 135.00 137.75 3ig5 s PRO 418 Ca 0.56 2.41 0.02 0.00 0.02 0.00 0.00 61.00 64.01 3ig5 s PRO 418 Cb -0.10 -3.08 0.03 0.00 0.02 0.00 0.00 34.50 31.37 3ig5 s PRO 418 CO 0.23 -0.51 0.97 1.33 -0.33 0.00 0.00 177.00 178.70 3ig5 n VAL 419 N 2.38 0.99 -3.18 3.83 0.24 -1.26 -4.92 118.33 116.41 3ig5 n VAL 419 Ca 0.08 -1.04 0.04 0.00 -2.04 0.00 0.00 64.34 61.38 3ig5 n VAL 419 Cb 0.39 0.46 -0.01 0.00 -1.47 0.00 0.00 33.84 33.21 3ig5 n VAL 419 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3ig5 s SER 420 N -1.12 -1.18 -0.11 -1.34 0.15 -1.26 -4.28 113.70 104.56 3ig5 s SER 420 Ca 0.04 0.80 -0.05 0.00 0.70 0.00 0.00 55.95 57.44 3ig5 s SER 420 Cb 0.03 2.01 0.05 0.00 -1.71 0.00 0.00 66.02 66.41 3ig5 s SER 420 CO 0.00 -0.22 0.23 -0.89 1.20 0.00 0.00 173.24 173.56 3ig5 s THR 421 N 2.87 -0.18 0.18 6.45 2.01 -1.26 -5.00 115.64 120.72 3ig5 s THR 421 Ca 0.15 0.21 -0.26 0.00 0.31 0.00 0.00 61.69 62.10 3ig5 s THR 421 Cb -0.14 -0.37 -0.08 0.00 0.01 0.00 0.00 72.50 71.92 3ig5 s THR 421 CO -0.19 0.09 0.80 -0.36 -0.69 0.00 0.00 174.62 174.27 3ig5 s PHE 422 N 1.70 3.91 0.14 4.92 0.08 -1.26 -1.11 117.98 126.37 3ig5 s PHE 422 Ca -0.05 1.68 -0.21 0.00 0.12 0.00 0.00 56.93 58.47 3ig5 s PHE 422 Cb -0.11 -2.80 0.02 0.00 -0.57 0.00 0.00 43.02 39.56 3ig5 s PHE 422 CO -0.08 0.50 1.65 1.49 -0.10 0.00 0.00 175.22 178.68 3ig5 h GLU 423 N 4.25 -0.17 0.00 0.44 4.81 -1.70 -2.44 114.58 119.77 3ig5 h GLU 423 Ca -0.47 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3ig5 h GLU 423 Cb 1.20 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3ig5 h GLU 423 CO 0.66 -0.11 0.25 0.93 -0.73 0.00 0.00 179.01 180.01 3ig5 h GLU 424 N -0.18 0.00 -0.02 1.92 3.07 -1.95 -2.47 114.58 114.96 3ig5 h GLU 424 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 3ig5 h GLU 424 Cb 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3ig5 h GLU 424 CO -0.32 0.00 -0.20 1.28 -1.40 0.00 0.00 179.01 178.37 3ig5 n LEU 425 N -2.66 2.25 -0.15 1.33 4.77 -0.92 -4.58 117.00 117.04 3ig5 n LEU 425 Ca -0.02 -0.88 0.12 0.00 -0.03 0.00 0.00 56.01 55.20 3ig5 n LEU 425 Cb 0.29 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.85 3ig5 n LEU 425 CO 0.12 0.40 1.20 -0.07 -1.33 0.00 0.00 177.39 177.72 3ig5 h LEU 426 N 3.03 0.45 -8.46 2.23 3.38 -1.52 -3.37 115.31 111.04 3ig5 h LEU 426 Ca 0.00 0.02 -0.66 0.00 0.09 0.00 0.00 57.88 57.33 3ig5 h LEU 426 Cb 0.74 -0.08 -0.28 0.00 0.09 0.00 0.00 40.66 41.14 3ig5 h LEU 426 CO 0.00 0.25 -0.74 0.20 0.09 0.00 0.00 178.44 178.24 3ig5 s ASN 427 N -6.08 4.14 0.22 -0.43 -0.87 -1.26 -4.99 114.94 105.67 3ig5 s ASN 427 Ca -0.08 -0.38 0.04 0.00 -1.57 0.00 0.00 52.86 50.87 3ig5 s ASN 427 Cb 0.20 -1.68 -0.05 0.00 -0.02 0.00 0.00 41.25 39.70 3ig5 s ASN 427 CO 0.76 0.05 -0.03 -1.10 -2.57 0.00 0.00 177.10 174.22 3ig5 s GLN 428 N 1.05 1.29 -0.72 -0.60 -0.21 -1.26 -5.08 119.66 114.13 3ig5 s GLN 428 Ca 0.00 -1.63 -0.20 0.00 0.02 0.00 0.00 55.36 53.54 3ig5 s GLN 428 Cb -0.15 -0.64 0.10 0.00 1.00 0.00 0.00 33.01 33.32 3ig5 s GLN 428 CO -0.01 -0.05 0.94 0.34 -2.12 0.00 0.00 175.29 174.39 3ig5 s ASP 429 N -3.28 6.31 0.60 5.90 2.15 -1.26 -4.91 116.67 122.17 3ig5 s ASP 429 Ca 0.26 -1.41 0.36 0.00 0.43 0.00 0.00 52.55 52.19 3ig5 s ASP 429 Cb 0.05 -2.38 1.96 0.00 -0.30 0.00 0.00 42.92 42.25 3ig5 s ASP 429 CO 0.07 -1.25 2.10 0.78 -0.17 0.00 0.00 175.17 176.70 3ig5 h ASN 430 N 9.25 0.00 0.50 -0.34 2.35 -1.93 0.49 115.58 125.90 3ig5 h ASN 430 Ca -0.16 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.48 3ig5 h ASN 430 Cb 1.06 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.42 3ig5 h ASN 430 CO 1.13 0.00 -0.51 0.11 -1.65 0.00 0.00 177.43 176.52 3ig5 h LYS 431 N 0.00 0.00 0.00 0.81 1.57 -1.92 -3.38 116.57 113.65 3ig5 h LYS 431 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ig5 h LYS 431 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3ig5 h LYS 431 CO 0.00 0.51 -0.91 0.25 -0.57 0.00 0.00 179.45 178.73 3ig5 n THR 432 N -3.94 0.00 -3.65 -0.16 -2.24 -0.49 -4.75 114.28 99.05 3ig5 n THR 432 Ca -0.01 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.39 3ig5 n THR 432 Cb 0.52 0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 68.89 3ig5 n THR 432 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ig5 s SER 433 N -2.01 6.64 -0.13 3.42 0.15 0.04 -4.72 113.70 117.10 3ig5 s SER 433 Ca 0.00 0.77 0.17 0.00 0.70 0.00 0.00 55.95 57.59 3ig5 s SER 433 Cb 0.00 -2.18 0.33 0.00 -1.71 0.00 0.00 66.02 62.46 3ig5 s SER 433 CO 0.00 0.35 1.21 -1.54 1.20 0.00 0.00 173.24 174.46 3ig5 n SER 434 N 1.84 2.71 -0.22 5.45 3.41 -1.26 -4.67 113.62 120.88 3ig5 n SER 434 Ca -0.16 -2.97 -0.06 0.00 -0.26 0.00 0.00 58.87 55.42 3ig5 n SER 434 Cb 0.53 -0.42 0.04 0.00 -0.26 0.00 0.00 64.21 64.10 3ig5 n SER 434 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3ig5 h ASN 435 N 0.49 0.76 -0.82 4.04 -0.73 -1.97 -0.17 115.58 117.17 3ig5 h ASN 435 Ca 0.00 -0.07 -0.04 0.00 1.87 0.00 0.00 56.30 58.06 3ig5 h ASN 435 Cb 1.06 -0.19 -0.04 0.00 0.27 0.00 0.00 38.32 39.43 3ig5 h ASN 435 CO 0.05 0.61 0.37 0.45 -0.37 0.00 0.00 177.43 178.55 3ig5 h HIS 436 N 0.84 1.21 -0.45 0.67 3.86 -1.91 0.45 115.15 119.82 3ig5 h HIS 436 Ca 0.22 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 3ig5 h HIS 436 Cb 0.00 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.08 3ig5 h HIS 436 CO -0.02 0.89 0.24 0.35 0.86 0.00 0.00 177.93 180.26 3ig5 h PHE 437 N 1.18 0.63 0.00 2.45 3.57 -1.62 -2.81 116.94 120.34 3ig5 h PHE 437 Ca 0.28 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 3ig5 h PHE 437 Cb 0.16 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 3ig5 h PHE 437 CO 0.02 0.48 -0.23 0.93 -2.23 0.00 0.00 178.31 177.28 3ig5 h GLU 438 N 0.59 0.00 -0.57 1.11 4.39 -0.59 0.65 114.58 120.16 3ig5 h GLU 438 Ca 0.16 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.97 3ig5 h GLU 438 Cb 0.07 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.61 3ig5 h GLU 438 CO -0.02 0.23 -0.10 -0.97 -1.16 0.00 0.00 179.01 176.98 3ig5 h ASN 439 N 0.00 -0.44 0.03 1.42 -0.73 -0.64 0.14 115.58 115.36 3ig5 h ASN 439 Ca -0.00 0.16 -0.17 0.00 1.87 0.00 0.00 56.30 58.16 3ig5 h ASN 439 Cb 0.44 0.32 -0.02 0.00 0.27 0.00 0.00 38.32 39.33 3ig5 h ASN 439 CO 0.03 -0.16 -0.92 0.40 -0.37 0.00 0.00 177.43 176.41 3ig5 h ILE 440 N 0.03 1.22 -0.57 2.57 1.08 -1.36 -3.27 117.51 117.22 3ig5 h ILE 440 Ca 0.28 -2.29 0.11 0.00 -0.39 0.00 0.00 64.86 62.57 3ig5 h ILE 440 Cb 0.44 2.72 -0.11 0.00 -3.07 0.00 0.00 36.82 36.80 3ig5 h ILE 440 CO -0.55 0.51 -0.16 -0.61 -0.69 0.00 0.00 178.15 176.65 3ig5 h GLN 441 N -0.81 -0.02 0.00 2.37 5.75 -0.84 -1.78 115.11 119.79 3ig5 h GLN 441 Ca -0.23 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.27 3ig5 h GLN 441 Cb 1.34 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.89 3ig5 h GLN 441 CO -0.07 -0.01 0.00 -1.13 -2.65 0.00 0.00 178.83 174.97 3ig5 n SER 442 N -5.41 0.19 -0.40 -0.69 3.41 0.49 -2.57 113.62 108.63 3ig5 n SER 442 Ca 0.06 0.53 0.07 0.00 -0.26 0.00 0.00 58.87 59.28 3ig5 n SER 442 Cb 0.31 -0.58 0.18 0.00 -0.26 0.00 0.00 64.21 63.86 3ig5 n SER 442 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3ig5 n THR 443 N -1.69 2.08 -3.84 6.66 -2.24 -0.70 -4.71 114.28 109.83 3ig5 n THR 443 Ca 0.05 -2.62 -0.36 0.00 -2.27 0.00 0.00 64.05 58.85 3ig5 n THR 443 Cb 0.26 -0.25 -0.13 0.00 -2.10 0.00 0.00 70.33 68.12 3ig5 n THR 443 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3ig5 s ASN 444 N -2.91 5.07 -0.37 3.42 0.01 -1.01 -4.78 114.94 114.37 3ig5 s ASN 444 Ca 0.36 -1.51 -0.08 0.00 -0.71 0.00 0.00 52.86 50.92 3ig5 s ASN 444 Cb 0.33 -1.77 0.05 0.00 0.41 0.00 0.00 41.25 40.27 3ig5 s ASN 444 CO -0.00 -0.36 0.18 0.26 -1.51 0.00 0.00 177.10 175.66 3ig5 s TRP 445 N 1.23 3.29 0.37 2.20 0.51 0.09 -4.96 118.94 121.67 3ig5 s TRP 445 Ca -0.00 -1.39 0.04 0.00 -2.12 0.00 0.00 56.10 52.62 3ig5 s TRP 445 Cb -0.21 -2.55 -0.04 0.00 -0.81 0.00 0.00 33.47 29.87 3ig5 s TRP 445 CO -0.02 -0.76 0.11 -0.65 -0.51 0.00 0.00 176.95 175.13 3ig5 s GLN 446 N 1.43 1.81 0.58 4.98 -0.21 -1.26 -1.10 119.66 125.90 3ig5 s GLN 446 Ca 0.01 -2.07 0.30 0.00 0.02 0.00 0.00 55.36 53.62 3ig5 s GLN 446 Cb -0.21 -0.63 1.79 0.00 1.00 0.00 0.00 33.01 34.97 3ig5 s GLN 446 CO 0.03 -0.39 2.23 1.79 -2.12 0.00 0.00 175.29 176.83 3ig5 h THR 447 N 1.93 0.50 -4.23 -0.19 1.35 -1.86 -3.43 112.91 106.99 3ig5 h THR 447 Ca -0.37 -0.11 -0.23 0.00 -0.55 0.00 0.00 66.41 65.15 3ig5 h THR 447 Cb 1.26 1.07 -0.15 0.00 -1.73 0.00 0.00 68.15 68.61 3ig5 h THR 447 CO 0.60 0.02 -0.65 -0.76 -0.25 0.00 0.00 175.52 174.49 3ig5 s LEU 448 N -7.49 1.78 -0.04 3.87 1.43 -1.26 -1.08 118.68 115.89 3ig5 s LEU 448 Ca -0.05 -1.23 -0.02 0.00 -1.03 0.00 0.00 54.13 51.80 3ig5 s LEU 448 Cb 0.15 0.20 0.03 0.00 0.03 0.00 0.00 46.19 46.59 3ig5 s LEU 448 CO 0.54 -0.70 0.09 -0.60 0.23 0.00 0.00 176.35 175.91 3ig5 s ARG 449 N -4.03 0.05 -0.31 1.70 3.52 -0.38 -4.87 118.95 114.63 3ig5 s ARG 449 Ca 0.27 0.24 -0.14 0.00 -0.13 0.00 0.00 55.73 55.96 3ig5 s ARG 449 Cb 0.07 -0.14 -0.03 0.00 -1.56 0.00 0.00 34.95 33.29 3ig5 s ARG 449 CO 0.04 -0.12 0.32 0.12 -0.81 0.00 0.00 175.30 174.85 3ig5 s PHE 450 N 0.83 3.22 -0.32 5.12 5.36 -1.26 -0.44 117.98 130.49 3ig5 s PHE 450 Ca -0.07 0.08 0.02 0.00 -0.96 0.00 0.00 56.93 56.00 3ig5 s PHE 450 Cb -0.09 -2.58 0.08 0.00 -0.34 0.00 0.00 43.02 40.09 3ig5 s PHE 450 CO -0.03 -0.33 0.02 0.15 -1.46 0.00 0.00 175.22 173.56 3ig5 s LYS 451 N 1.96 1.97 0.59 10.12 1.02 -0.39 -5.02 119.74 129.99 3ig5 s LYS 451 Ca 0.11 -1.60 -0.19 0.00 0.02 0.00 0.00 55.97 54.31 3ig5 s LYS 451 Cb -0.16 -3.17 -0.03 0.00 -0.52 0.00 0.00 37.83 33.95 3ig5 s LYS 451 CO 0.11 -0.79 1.25 -2.14 -0.92 0.00 0.00 175.35 172.86 3ig5 s PRO 452 N 1.06 2.93 0.00 -1.68 0.02 -1.26 -1.86 135.00 134.21 3ig5 s PRO 452 Ca 0.02 1.96 0.00 0.00 0.02 0.00 0.00 61.00 62.99 3ig5 s PRO 452 Cb -0.20 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.33 3ig5 s PRO 452 CO -0.05 -1.27 0.00 -0.35 -0.33 0.00 0.00 177.00 175.00 3ig5 n PRO 453 N -1.51 -0.54 -2.74 5.54 -0.04 -1.24 -4.92 135.00 129.55 3ig5 n PRO 453 Ca 0.13 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.39 3ig5 n PRO 453 Cb 0.48 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.97 3ig5 n PRO 453 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3ig5 s THR 454 N -0.90 2.77 0.55 0.52 -4.23 -1.26 -4.96 115.64 108.13 3ig5 s THR 454 Ca 0.00 -0.74 0.23 0.00 -1.18 0.00 0.00 61.69 60.00 3ig5 s THR 454 Cb 0.00 -3.01 0.34 0.00 1.34 0.00 0.00 72.50 71.17 3ig5 s THR 454 CO 0.00 -0.01 2.10 1.56 -0.54 0.00 0.00 174.62 177.73 3ig5 h GLN 455 N 0.21 0.00 0.00 3.99 7.50 -1.85 -1.46 115.11 123.51 3ig5 h GLN 455 Ca -0.42 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.73 3ig5 h GLN 455 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.82 3ig5 h GLN 455 CO 0.50 0.00 0.00 1.96 -1.50 0.00 0.00 178.83 179.79 3ig5 h GLN 456 N 0.00 0.00 -2.50 1.46 7.50 -1.88 -3.37 115.11 116.32 3ig5 h GLN 456 Ca 0.10 0.00 -0.63 0.00 0.50 0.00 0.00 58.65 58.62 3ig5 h GLN 456 Cb 0.45 0.00 -0.10 0.00 0.05 0.00 0.00 27.48 27.87 3ig5 h GLN 456 CO -0.00 0.00 1.99 0.00 -1.50 0.00 0.00 178.83 179.32 3ig5 n ALA 457 N -1.86 6.84 -1.74 3.87 0.00 -0.55 -4.90 120.51 122.18 3ig5 n ALA 457 Ca 0.00 -3.58 -0.34 0.00 0.00 0.00 0.00 53.44 49.53 3ig5 n ALA 457 Cb 0.18 -2.70 -0.01 0.00 0.00 0.00 0.00 19.45 16.91 3ig5 n ALA 457 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ig5 s THR 458 N -0.65 3.69 0.55 0.00 -4.23 -1.26 -4.39 115.64 109.35 3ig5 s THR 458 Ca 0.59 0.95 0.30 0.00 -1.18 0.00 0.00 61.69 62.35 3ig5 s THR 458 Cb 0.24 -3.39 0.45 0.00 1.34 0.00 0.00 72.50 71.14 3ig5 s THR 458 CO -0.11 -0.33 1.90 -0.65 -0.54 0.00 0.00 174.62 174.89 3ig5 h PRO 459 N 1.04 0.00 -0.16 3.99 0.11 -1.90 0.87 132.00 135.94 3ig5 h PRO 459 Ca -0.48 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 3ig5 h PRO 459 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3ig5 h PRO 459 CO 0.58 0.00 -0.17 0.38 -0.21 0.00 0.00 178.00 178.58 3ig5 h ASP 460 N 0.00 0.25 -1.32 -2.05 3.04 -1.96 -3.39 116.42 111.00 3ig5 h ASP 460 Ca 0.36 -0.06 -0.52 0.00 -3.24 0.00 0.00 57.03 53.57 3ig5 h ASP 460 Cb 1.51 -0.07 -0.08 0.00 -1.04 0.00 0.00 39.33 39.65 3ig5 h ASP 460 CO -0.00 0.45 1.25 -0.54 -2.04 0.00 0.00 179.24 178.35 3ig5 s LYS 461 N -4.64 3.23 0.24 4.15 -0.14 0.30 -4.86 119.74 118.01 3ig5 s LYS 461 Ca -0.05 -0.65 0.24 0.00 -1.36 0.00 0.00 55.97 54.14 3ig5 s LYS 461 Cb 0.15 -5.01 0.93 0.00 -1.68 0.00 0.00 37.83 32.22 3ig5 s LYS 461 CO 0.74 -2.49 1.73 1.63 -0.76 0.00 0.00 175.35 176.21 3ig5 n LYS 462 N 8.99 0.21 0.00 1.68 4.76 -1.26 -3.14 118.16 129.41 3ig5 n LYS 462 Ca 0.28 0.35 0.08 0.00 -2.87 0.00 0.00 58.31 56.15 3ig5 n LYS 462 Cb 0.50 -1.84 -0.05 0.00 -1.84 0.00 0.00 35.03 31.79 3ig5 n LYS 462 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3ig5 n ASP 463 N -2.23 1.14 -4.75 4.39 8.00 -1.26 -4.92 116.55 116.92 3ig5 n ASP 463 Ca 0.03 -1.07 -0.38 0.00 0.71 0.00 0.00 54.79 54.08 3ig5 n ASP 463 Cb 0.29 0.78 0.03 0.00 -0.02 0.00 0.00 41.12 42.20 3ig5 n ASP 463 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3ig5 s SER 464 N -2.28 5.39 0.25 -2.24 0.01 -1.19 -4.95 113.70 108.69 3ig5 s SER 464 Ca 0.09 2.62 -0.31 0.00 1.31 0.00 0.00 55.95 59.66 3ig5 s SER 464 Cb 0.13 -2.62 -0.12 0.00 0.21 0.00 0.00 66.02 63.61 3ig5 s SER 464 CO 0.56 -1.48 1.66 -2.65 0.41 0.00 0.00 173.24 171.74 3ig5 n PRO 465 N -1.05 2.73 0.00 12.44 -0.02 -1.26 -5.02 135.00 142.82 3ig5 n PRO 465 Ca 0.11 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 3ig5 n PRO 465 Cb 0.46 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 3ig5 n PRO 465 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ig5 n GLY 466 N 3.07 1.62 3.61 -1.23 0.00 -1.26 -4.64 105.19 106.36 3ig5 n GLY 466 Ca 0.12 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 3ig5 n GLY 466 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ig5 s TRP 467 N 3.73 3.24 0.25 1.61 0.52 -1.26 -3.65 118.94 123.37 3ig5 s TRP 467 Ca 0.00 0.74 0.11 0.00 0.02 0.00 0.00 56.10 56.97 3ig5 s TRP 467 Cb 0.00 -3.00 -0.05 0.00 -1.15 0.00 0.00 33.47 29.28 3ig5 s TRP 467 CO 0.00 -0.44 -0.17 1.03 0.02 0.00 0.00 176.95 177.38 3ig5 s ARG 468 N 2.67 1.76 -0.09 4.98 0.52 -0.78 -1.68 118.95 126.33 3ig5 s ARG 468 Ca 0.28 -1.64 0.01 0.00 -0.52 0.00 0.00 55.73 53.86 3ig5 s ARG 468 Cb -0.15 -1.87 0.02 0.00 0.52 0.00 0.00 34.95 33.47 3ig5 s ARG 468 CO 0.11 0.36 -0.11 0.08 0.02 0.00 0.00 175.30 175.76 3ig5 s VAL 469 N -2.27 1.13 -0.15 3.52 1.01 0.72 -1.26 120.40 123.10 3ig5 s VAL 469 Ca 0.28 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 3ig5 s VAL 469 Cb -0.06 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 3ig5 s VAL 469 CO 0.15 0.37 0.16 -0.70 0.00 0.00 0.00 175.10 175.08 3ig5 s GLU 470 N 1.15 3.85 -0.36 2.72 2.12 0.41 -1.23 118.70 127.36 3ig5 s GLU 470 Ca -0.05 -0.13 -0.13 0.00 0.36 0.00 0.00 54.97 55.03 3ig5 s GLU 470 Cb -0.14 -3.31 0.01 0.00 0.26 0.00 0.00 34.13 30.94 3ig5 s GLU 470 CO -0.02 0.53 0.24 0.12 -0.54 0.00 0.00 175.26 175.58 3ig5 s PHE 471 N -0.31 3.23 -0.98 5.30 5.36 0.58 -1.24 117.98 129.91 3ig5 s PHE 471 Ca 0.12 -0.54 0.09 0.00 -0.96 0.00 0.00 56.93 55.64 3ig5 s PHE 471 Cb -0.12 -2.48 0.04 0.00 -0.34 0.00 0.00 43.02 40.12 3ig5 s PHE 471 CO 0.02 -0.51 0.70 0.54 -1.46 0.00 0.00 175.22 174.51 3ig5 n ARG 472 N 5.08 1.02 0.04 10.12 1.74 -0.24 -1.76 116.66 132.65 3ig5 n ARG 472 Ca -0.12 -0.84 0.12 0.00 -0.77 0.00 0.00 57.85 56.24 3ig5 n ARG 472 Cb 0.48 -1.12 0.29 0.00 -1.02 0.00 0.00 32.46 31.10 3ig5 n ARG 472 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3ig5 n PRO 473 N 0.19 0.18 -1.73 5.56 -0.04 -1.24 -4.86 135.00 133.06 3ig5 n PRO 473 Ca 0.05 0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 63.16 3ig5 n PRO 473 Cb 0.21 -1.64 -0.02 0.00 -0.04 0.00 0.00 33.50 32.01 3ig5 n PRO 473 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3ig5 n PHE 474 N -1.90 2.67 -2.38 0.54 3.72 -1.24 -4.52 117.46 114.34 3ig5 n PHE 474 Ca 0.05 0.34 -0.34 0.00 -0.05 0.00 0.00 57.45 57.45 3ig5 n PHE 474 Cb 0.40 -2.55 -0.02 0.00 -0.94 0.00 0.00 39.48 36.37 3ig5 n PHE 474 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3ig5 s GLU 475 N -0.76 3.65 0.07 -1.08 0.41 -1.26 -1.93 118.70 117.79 3ig5 s GLU 475 Ca 0.63 1.31 -0.20 0.00 -0.41 0.00 0.00 54.97 56.30 3ig5 s GLU 475 Cb -0.53 -2.07 -0.07 0.00 -1.78 0.00 0.00 34.13 29.68 3ig5 s GLU 475 CO 0.51 -0.55 0.59 0.54 -0.49 0.00 0.00 175.26 175.86 3ig5 s VAL 476 N -2.14 4.74 0.30 2.63 0.11 -1.25 -4.28 120.40 120.51 3ig5 s VAL 476 Ca 0.66 1.25 0.06 0.00 -2.93 0.00 0.00 61.98 61.03 3ig5 s VAL 476 Cb -0.16 -3.92 -0.02 0.00 -1.53 0.00 0.00 36.38 30.75 3ig5 s VAL 476 CO 0.26 0.53 0.38 -1.10 -3.33 0.00 0.00 175.10 171.84 3ig5 s GLN 477 N -0.96 3.12 0.13 1.54 -1.52 -1.26 -3.93 119.66 116.78 3ig5 s GLN 477 Ca 0.30 -1.00 -0.13 0.00 -1.95 0.00 0.00 55.36 52.59 3ig5 s GLN 477 Cb -0.20 -2.75 -0.04 0.00 -0.22 0.00 0.00 33.01 29.80 3ig5 s GLN 477 CO 0.19 0.20 1.49 -0.07 -0.25 0.00 0.00 175.29 176.86 3ig5 h LEU 478 N 1.09 0.88 -9.70 2.90 3.38 -1.96 -3.42 115.31 108.49 3ig5 h LEU 478 Ca -0.48 -0.42 -0.63 0.00 0.09 0.00 0.00 57.88 56.44 3ig5 h LEU 478 Cb 1.25 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 3ig5 h LEU 478 CO 0.57 1.11 -0.33 -0.76 0.09 0.00 0.00 178.44 179.12 3ig5 s LEU 479 N -9.06 4.42 0.53 1.67 1.02 -1.26 -4.52 118.68 111.47 3ig5 s LEU 479 Ca -0.12 0.71 0.18 0.00 0.02 0.00 0.00 54.13 54.92 3ig5 s LEU 479 Cb 0.10 -2.46 1.33 0.00 0.02 0.00 0.00 46.19 45.18 3ig5 s LEU 479 CO 0.85 0.33 2.15 0.44 0.02 0.00 0.00 176.35 180.13 3ig5 h ASP 480 N 4.58 0.00 -0.61 2.29 3.32 -1.86 -1.92 116.42 122.22 3ig5 h ASP 480 Ca -0.52 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.47 3ig5 h ASP 480 Cb 1.22 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 3ig5 h ASP 480 CO 0.62 0.00 0.18 0.15 -1.72 0.00 0.00 179.24 178.46 3ig5 h PHE 481 N 0.00 1.02 0.16 4.55 3.04 -1.93 0.11 116.94 123.90 3ig5 h PHE 481 Ca 0.02 -0.10 -0.01 0.00 3.98 0.00 0.00 57.97 61.86 3ig5 h PHE 481 Cb 0.09 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.30 3ig5 h PHE 481 CO 0.00 0.83 -0.08 0.93 -2.02 0.00 0.00 178.31 177.97 3ig5 h GLU 482 N 0.95 -0.21 -0.85 1.11 5.08 -1.77 -1.67 114.58 117.21 3ig5 h GLU 482 Ca 0.21 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 3ig5 h GLU 482 Cb 0.30 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 3ig5 h GLU 482 CO -0.00 0.18 0.56 -0.91 -1.00 0.00 0.00 179.01 177.83 3ig5 h ASN 483 N -0.68 0.87 -0.45 1.42 2.35 -1.32 -1.09 115.58 116.67 3ig5 h ASN 483 Ca -0.02 -0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.62 3ig5 h ASN 483 Cb 0.49 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3ig5 h ASN 483 CO 0.04 0.57 -0.15 0.00 -1.65 0.00 0.00 177.43 176.24 3ig5 h ALA 484 N 1.52 0.63 -0.54 -0.83 0.00 -0.82 -1.47 119.26 117.75 3ig5 h ALA 484 Ca 0.36 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 55.01 3ig5 h ALA 484 Cb 0.15 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 3ig5 h ALA 484 CO -0.12 0.56 0.06 0.00 0.00 0.00 0.00 179.25 179.74 3ig5 h ALA 485 N 0.86 0.57 0.00 0.00 0.00 -0.44 -0.35 119.26 119.89 3ig5 h ALA 485 Ca 0.11 0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.97 3ig5 h ALA 485 Cb 0.71 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3ig5 h ALA 485 CO 0.05 -0.35 -0.89 1.88 0.00 0.00 0.00 179.25 179.94 3ig5 h TYR 486 N 0.18 0.00 -0.44 0.00 -1.99 -1.12 -1.36 116.97 112.24 3ig5 h TYR 486 Ca 0.28 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.91 3ig5 h TYR 486 Cb 0.41 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.13 3ig5 h TYR 486 CO -0.28 0.89 -0.10 0.77 -0.00 0.00 0.00 178.16 179.43 3ig5 h SER 487 N 0.00 0.85 -0.25 3.88 0.02 -0.78 -2.36 113.55 114.91 3ig5 h SER 487 Ca -0.01 -0.36 -0.13 0.00 -0.84 0.00 0.00 61.79 60.45 3ig5 h SER 487 Cb 1.61 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.91 3ig5 h SER 487 CO 0.12 1.01 -0.31 0.58 -1.14 0.00 0.00 176.83 177.09 3ig5 h VAL 488 N 0.68 1.28 0.05 2.27 2.07 -0.99 -1.27 116.25 120.35 3ig5 h VAL 488 Ca 0.11 -1.45 0.02 0.00 0.82 0.00 0.00 66.70 66.20 3ig5 h VAL 488 Cb 0.64 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.69 3ig5 h VAL 488 CO 0.04 0.48 -0.47 0.25 0.02 0.00 0.00 177.57 177.89 3ig5 h LEU 489 N 0.64 -1.43 -1.35 2.57 5.85 -1.12 0.22 115.31 120.70 3ig5 h LEU 489 Ca 0.07 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3ig5 h LEU 489 Cb 0.84 0.54 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 3ig5 h LEU 489 CO 0.07 -0.51 0.25 -0.29 -0.34 0.00 0.00 178.44 177.63 3ig5 h ILE 490 N -0.66 1.17 -0.04 4.05 6.09 -1.41 -0.76 117.51 125.95 3ig5 h ILE 490 Ca 0.02 -0.45 0.02 0.00 -1.37 0.00 0.00 64.86 63.08 3ig5 h ILE 490 Cb 0.71 0.51 -0.02 0.00 0.47 0.00 0.00 36.82 38.49 3ig5 h ILE 490 CO -0.31 0.19 -0.06 0.22 -3.07 0.00 0.00 178.15 175.12 3ig5 h TYR 491 N 0.70 -0.15 -0.84 2.19 3.20 -0.44 0.18 116.97 121.81 3ig5 h TYR 491 Ca 0.18 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 3ig5 h TYR 491 Cb 0.06 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 3ig5 h TYR 491 CO 0.01 -0.10 0.40 -0.07 -1.64 0.00 0.00 178.16 176.76 3ig5 h LEU 492 N -0.09 1.11 -0.06 2.82 3.38 -0.37 0.84 115.31 122.94 3ig5 h LEU 492 Ca 0.04 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3ig5 h LEU 492 Cb 0.14 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3ig5 h LEU 492 CO -0.09 0.94 0.02 0.40 0.09 0.00 0.00 178.44 179.80 3ig5 h ILE 493 N 1.20 0.99 -0.39 1.22 2.04 -0.81 0.10 117.51 121.86 3ig5 h ILE 493 Ca 0.29 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 66.13 3ig5 h ILE 493 Cb 0.12 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3ig5 h ILE 493 CO -0.04 0.01 0.24 0.58 0.00 0.00 0.00 178.15 178.95 3ig5 h VAL 494 N 0.06 1.12 -0.73 1.67 2.07 -0.04 0.12 116.25 120.52 3ig5 h VAL 494 Ca 0.03 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 3ig5 h VAL 494 Cb 0.01 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3ig5 h VAL 494 CO -0.03 0.12 0.22 -0.78 0.02 0.00 0.00 177.57 177.12 3ig5 h ASP 495 N 0.52 1.07 -0.18 0.57 3.58 -0.77 0.54 116.42 121.76 3ig5 h ASP 495 Ca 0.14 -0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 3ig5 h ASP 495 Cb -0.02 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 3ig5 h ASP 495 CO -0.03 1.00 0.11 -1.28 -2.88 0.00 0.00 179.24 176.16 3ig5 h SER 496 N 1.08 0.21 -0.68 2.28 0.87 -0.31 0.30 113.55 117.30 3ig5 h SER 496 Ca 0.23 -0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.77 3ig5 h SER 496 Cb 0.32 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 3ig5 h SER 496 CO -0.01 0.19 0.44 0.40 -0.53 0.00 0.00 176.83 177.32 3ig5 h ILE 497 N 0.21 1.14 -0.10 2.23 2.04 -0.13 -0.86 117.51 122.04 3ig5 h ILE 497 Ca 0.06 -0.30 -0.22 0.00 1.00 0.00 0.00 64.86 65.40 3ig5 h ILE 497 Cb 0.01 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.28 3ig5 h ILE 497 CO -0.01 0.16 -0.83 -0.07 0.00 0.00 0.00 178.15 177.40 3ig5 h LEU 498 N 0.88 0.79 -0.76 1.44 3.38 -0.56 -2.18 115.31 118.32 3ig5 h LEU 498 Ca 0.26 -0.55 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 3ig5 h LEU 498 Cb -0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3ig5 h LEU 498 CO -0.08 1.33 -0.11 0.74 0.09 0.00 0.00 178.44 180.42 3ig5 h THR 499 N 0.43 1.26 -0.56 0.22 2.02 -0.21 -3.27 112.91 112.80 3ig5 h THR 499 Ca -0.06 -1.19 -0.25 0.00 0.77 0.00 0.00 66.41 65.67 3ig5 h THR 499 Cb 1.45 1.02 -0.15 0.00 -1.74 0.00 0.00 68.15 68.72 3ig5 h THR 499 CO 0.16 0.41 0.17 0.49 0.37 0.00 0.00 175.52 177.12 3ig5 n PHE 500 N -4.16 1.76 -0.12 3.16 3.72 -0.35 -4.77 117.46 116.70 3ig5 n PHE 500 Ca 0.01 -1.54 0.15 0.00 -0.05 0.00 0.00 57.45 56.02 3ig5 n PHE 500 Cb 0.37 -0.62 0.52 0.00 -0.94 0.00 0.00 39.48 38.82 3ig5 n PHE 500 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3ig5 h SER 501 N 1.29 0.34 0.22 4.37 4.64 -1.45 0.57 113.55 123.54 3ig5 h SER 501 Ca 0.31 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.63 3ig5 h SER 501 Cb 2.04 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 64.08 3ig5 h SER 501 CO 0.60 0.19 -0.07 0.44 -0.87 0.00 0.00 176.83 177.12 3ig5 h ASP 502 N 0.37 0.00 -0.00 4.97 3.45 -1.88 -3.28 116.42 120.05 3ig5 h ASP 502 Ca 0.33 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.79 3ig5 h ASP 502 Cb 0.77 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.54 3ig5 h ASP 502 CO -0.09 0.07 -0.48 0.59 -1.57 0.00 0.00 179.24 177.76 3ig5 n ASN 503 N -3.71 0.49 -4.52 6.45 5.03 0.17 -4.95 115.26 114.22 3ig5 n ASN 503 Ca -0.02 -0.74 -0.41 0.00 0.87 0.00 0.00 54.58 54.27 3ig5 n ASN 503 Cb 0.17 1.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.84 3ig5 n ASN 503 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3ig5 s ILE 504 N -1.96 5.17 -0.42 2.41 1.01 -1.06 -4.03 121.20 122.33 3ig5 s ILE 504 Ca 0.04 -0.13 -0.13 0.00 0.00 0.00 0.00 60.65 60.42 3ig5 s ILE 504 Cb 0.08 -3.86 0.05 0.00 0.01 0.00 0.00 42.46 38.73 3ig5 s ILE 504 CO 0.42 -0.17 0.30 0.21 0.00 0.00 0.00 174.94 175.70 3ig5 s ASN 505 N 1.74 5.95 -0.08 3.58 3.84 0.39 -4.95 114.94 125.42 3ig5 s ASN 505 Ca 0.10 -1.16 0.14 0.00 0.21 0.00 0.00 52.86 52.16 3ig5 s ASN 505 Cb -0.17 -2.11 0.43 0.00 -0.55 0.00 0.00 41.25 38.86 3ig5 s ASN 505 CO 0.12 -0.51 1.36 0.00 -2.79 0.00 0.00 177.10 175.27 3ig5 n ALA 506 N 5.09 2.58 -2.01 1.71 0.00 -1.26 -4.44 120.51 122.18 3ig5 n ALA 506 Ca -0.11 -1.64 -0.41 0.00 0.00 0.00 0.00 53.44 51.28 3ig5 n ALA 506 Cb 0.45 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.27 3ig5 n ALA 506 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3ig5 s TYR 507 N -1.78 3.43 0.18 0.00 2.02 -1.26 -4.86 117.35 115.08 3ig5 s TYR 507 Ca 0.33 1.45 -0.03 0.00 -0.37 0.00 0.00 57.07 58.45 3ig5 s TYR 507 Cb 0.23 -3.43 -0.03 0.00 -0.40 0.00 0.00 41.96 38.33 3ig5 s TYR 507 CO 0.14 -1.17 0.16 0.96 -1.57 0.00 0.00 175.55 174.07 3ig5 s ILE 508 N -0.19 0.03 0.20 2.71 -4.36 -1.26 -4.70 121.20 113.63 3ig5 s ILE 508 Ca 0.52 -1.87 -0.30 0.00 -0.26 0.00 0.00 60.65 58.74 3ig5 s ILE 508 Cb -0.33 -2.30 -0.09 0.00 1.25 0.00 0.00 42.46 40.99 3ig5 s ILE 508 CO 0.38 -0.14 1.42 -1.00 0.24 0.00 0.00 174.94 175.83 3ig5 s HIS 509 N -4.10 3.12 0.39 1.37 3.76 -1.26 -4.90 115.29 113.67 3ig5 s HIS 509 Ca 0.32 1.00 0.11 0.00 -0.15 0.00 0.00 55.06 56.34 3ig5 s HIS 509 Cb 0.06 -3.76 0.91 0.00 1.11 0.00 0.00 32.58 30.90 3ig5 s HIS 509 CO 0.08 -2.55 1.90 1.98 -0.85 0.00 0.00 174.74 175.30 3ig5 h MET 510 N 5.70 0.56 -0.57 1.40 4.05 -1.56 0.12 114.93 124.64 3ig5 h MET 510 Ca -0.44 -0.03 0.04 0.00 -0.28 0.00 0.00 59.70 58.99 3ig5 h MET 510 Cb 1.21 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.85 3ig5 h MET 510 CO 0.81 0.37 0.38 0.66 0.23 0.00 0.00 176.91 179.36 3ig5 h SER 511 N 0.58 0.52 -0.37 1.39 4.64 -1.87 -0.21 113.55 118.23 3ig5 h SER 511 Ca 0.40 -0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.56 3ig5 h SER 511 Cb 0.72 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 3ig5 h SER 511 CO -0.15 0.35 -0.35 0.11 -0.87 0.00 0.00 176.83 175.92 3ig5 h LYS 512 N 0.60 0.91 -0.11 4.77 1.57 -1.34 -2.10 116.57 120.87 3ig5 h LYS 512 Ca 0.23 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3ig5 h LYS 512 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3ig5 h LYS 512 CO -0.07 1.11 0.06 0.28 -0.57 0.00 0.00 179.45 180.26 3ig5 h VAL 513 N 0.76 1.01 -0.42 0.50 2.07 -1.06 0.45 116.25 119.55 3ig5 h VAL 513 Ca 0.07 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.58 3ig5 h VAL 513 Cb 0.93 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 3ig5 h VAL 513 CO 0.09 0.02 0.20 -0.50 0.02 0.00 0.00 177.57 177.40 3ig5 h TRP 514 N 0.13 0.37 -0.22 1.57 4.06 -1.14 0.10 115.95 120.82 3ig5 h TRP 514 Ca 0.04 0.02 0.05 0.00 2.06 0.00 0.00 58.89 61.06 3ig5 h TRP 514 Cb -0.00 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 28.01 3ig5 h TRP 514 CO -0.08 0.18 -0.07 1.49 -3.56 0.00 0.00 178.44 176.40 3ig5 h GLU 515 N 0.40 -0.02 -0.70 0.49 4.81 -1.22 -2.16 114.58 116.19 3ig5 h GLU 515 Ca 0.19 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.57 3ig5 h GLU 515 Cb 0.11 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.38 3ig5 h GLU 515 CO -0.14 -0.01 0.07 -0.91 -0.73 0.00 0.00 179.01 177.29 3ig5 h ASN 516 N -0.02 -0.17 -0.97 1.04 2.35 -0.07 -1.16 115.58 116.59 3ig5 h ASN 516 Ca 0.11 0.16 0.21 0.00 -0.55 0.00 0.00 56.30 56.23 3ig5 h ASN 516 Cb 0.18 0.26 -0.08 0.00 0.05 0.00 0.00 38.32 38.73 3ig5 h ASN 516 CO -0.24 -0.10 0.62 0.24 -1.65 0.00 0.00 177.43 176.30 3ig5 h MET 517 N 0.17 0.51 -0.02 0.81 2.86 -0.34 0.27 114.93 119.18 3ig5 h MET 517 Ca 0.38 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.88 3ig5 h MET 517 Cb 0.65 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 32.20 3ig5 h MET 517 CO -0.55 0.34 -0.43 0.87 1.06 0.00 0.00 176.91 178.20 3ig5 h LYS 518 N 0.52 0.33 -0.73 1.72 1.57 -1.04 -3.20 116.57 115.74 3ig5 h LYS 518 Ca 0.53 -0.33 0.05 0.00 -1.87 0.00 0.00 60.65 59.04 3ig5 h LYS 518 Cb 1.15 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 3ig5 h LYS 518 CO -0.27 1.00 0.48 0.82 -0.57 0.00 0.00 179.45 180.92 3ig5 h ILE 519 N -0.21 1.07 0.00 1.86 2.04 -0.63 -2.13 117.51 119.50 3ig5 h ILE 519 Ca -0.05 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 3ig5 h ILE 519 Cb 1.13 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3ig5 h ILE 519 CO 0.09 0.15 -0.00 0.00 0.00 0.00 0.00 178.15 178.38 3ig5 h ALA 520 N 1.59 1.12 0.00 1.87 0.00 -0.50 -1.30 119.26 122.04 3ig5 h ALA 520 Ca 0.31 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3ig5 h ALA 520 Cb 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ig5 h ALA 520 CO -0.10 0.00 -0.29 0.45 0.00 0.00 0.00 179.25 179.32 3ig5 h HIS 521 N 0.00 0.00 -4.00 0.00 3.86 -1.48 -3.37 115.15 110.16 3ig5 h HIS 521 Ca -0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 3ig5 h HIS 521 Cb 0.02 0.00 0.12 0.00 1.06 0.00 0.00 27.41 28.61 3ig5 h HIS 521 CO 0.00 0.29 0.68 -1.01 0.86 0.00 0.00 177.93 178.75 3ig5 s HIS 522 N -3.13 2.44 0.23 2.45 3.76 -0.49 -2.27 115.29 118.27 3ig5 s HIS 522 Ca 0.05 1.29 -0.32 0.00 -0.15 0.00 0.00 55.06 55.93 3ig5 s HIS 522 Cb 0.07 -3.89 -0.12 0.00 1.11 0.00 0.00 32.58 29.75 3ig5 s HIS 522 CO 0.70 -2.90 1.61 -2.13 -0.85 0.00 0.00 174.74 171.17 3ig5 n ARG 523 N -0.35 2.54 -1.72 1.40 0.63 -1.25 -1.24 116.66 116.67 3ig5 n ARG 523 Ca 0.06 0.91 -0.20 0.00 -0.92 0.00 0.00 57.85 57.70 3ig5 n ARG 523 Cb 0.42 -2.69 -0.07 0.00 0.45 0.00 0.00 32.46 30.57 3ig5 n ARG 523 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3ig5 n ASP 524 N 2.99 -5.37 -0.34 6.15 8.00 -1.26 -4.87 116.55 121.84 3ig5 n ASP 524 Ca 0.13 0.42 0.17 0.00 0.71 0.00 0.00 54.79 56.21 3ig5 n ASP 524 Cb 0.34 -4.71 0.38 0.00 -0.02 0.00 0.00 41.12 37.11 3ig5 n ASP 524 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ig5 h ALA 525 N 0.23 1.81 0.00 2.24 0.00 -1.50 0.29 119.26 122.34 3ig5 h ALA 525 Ca -0.42 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3ig5 h ALA 525 Cb 1.32 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3ig5 h ALA 525 CO 0.60 -0.24 -0.02 0.97 0.00 0.00 0.00 179.25 180.56 3ig5 h ILE 526 N 0.62 0.88 0.03 0.00 2.10 -1.84 -1.04 117.51 118.26 3ig5 h ILE 526 Ca 0.62 -0.06 -0.28 0.00 1.08 0.00 0.00 64.86 66.22 3ig5 h ILE 526 Cb 1.16 1.03 -0.03 0.00 -1.09 0.00 0.00 36.82 37.88 3ig5 h ILE 526 CO -0.42 0.02 -1.49 -0.07 -1.08 0.00 0.00 178.15 175.10 3ig5 h LEU 527 N 0.00 0.11 0.00 2.19 3.38 -0.79 -3.40 115.31 116.80 3ig5 h LEU 527 Ca -0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3ig5 h LEU 527 Cb 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3ig5 h LEU 527 CO 0.00 1.15 -0.00 2.22 0.09 0.00 0.00 178.44 181.90 3ig5 n PHE 528 N -3.25 0.00 -1.40 1.13 1.16 -1.03 -5.00 117.46 109.07 3ig5 n PHE 528 Ca -0.13 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.14 3ig5 n PHE 528 Cb 1.02 0.00 0.07 0.00 -1.61 0.00 0.00 39.48 38.96 3ig5 n PHE 528 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 3ig5 s GLU 529 N -0.14 2.50 0.07 3.97 0.41 -0.42 -4.94 118.70 120.14 3ig5 s GLU 529 Ca 0.00 1.14 0.08 0.00 -0.41 0.00 0.00 54.97 55.78 3ig5 s GLU 529 Cb 0.00 -1.93 -0.03 0.00 -1.78 0.00 0.00 34.13 30.39 3ig5 s GLU 529 CO 0.00 -1.45 -0.19 0.15 -0.49 0.00 0.00 175.26 173.28 3ig5 s LYS 530 N -4.84 1.94 0.05 1.61 1.02 -1.26 -3.97 119.74 114.28 3ig5 s LYS 530 Ca 0.61 -1.07 0.04 0.00 0.02 0.00 0.00 55.97 55.57 3ig5 s LYS 530 Cb -0.17 -2.14 -0.02 0.00 -0.52 0.00 0.00 37.83 34.98 3ig5 s LYS 530 CO 0.54 0.52 -0.11 -0.06 -0.92 0.00 0.00 175.35 175.31 3ig5 s PHE 531 N -0.99 0.96 0.07 3.18 0.40 0.38 -4.80 117.98 117.17 3ig5 s PHE 531 Ca 0.15 -0.42 -0.31 0.00 -0.60 0.00 0.00 56.93 55.76 3ig5 s PHE 531 Cb -0.10 -0.56 -0.08 0.00 0.51 0.00 0.00 43.02 42.79 3ig5 s PHE 531 CO 0.06 -0.00 1.59 -1.01 0.70 0.00 0.00 175.22 176.56 3ig5 s HIS 532 N -1.12 2.58 -0.06 0.36 3.76 -1.26 -1.46 115.29 118.09 3ig5 s HIS 532 Ca -0.04 0.46 -0.10 0.00 -0.15 0.00 0.00 55.06 55.23 3ig5 s HIS 532 Cb -0.09 -3.90 0.02 0.00 1.11 0.00 0.00 32.58 29.72 3ig5 s HIS 532 CO 0.01 -3.52 0.24 -0.46 -0.85 0.00 0.00 174.74 170.16 3ig5 s TRP 533 N 2.42 -0.19 0.33 1.40 -0.11 -0.45 -4.96 118.94 117.38 3ig5 s TRP 533 Ca 0.71 0.43 -0.29 0.00 1.22 0.00 0.00 56.10 58.17 3ig5 s TRP 533 Cb -0.38 0.07 -0.11 0.00 -1.50 0.00 0.00 33.47 31.54 3ig5 s TRP 533 CO 0.31 -0.22 1.48 0.21 -4.62 0.00 0.00 176.95 174.10 3ig5 s LYS 534 N -0.49 4.18 0.21 5.86 2.20 -1.26 -1.78 119.74 128.65 3ig5 s LYS 534 Ca -0.06 2.47 0.01 0.00 -0.36 0.00 0.00 55.97 58.03 3ig5 s LYS 534 Cb -0.04 -3.02 0.19 0.00 -1.51 0.00 0.00 37.83 33.45 3ig5 s LYS 534 CO 0.01 -0.48 1.54 -0.22 -0.36 0.00 0.00 175.35 175.84 3ig5 h LYS 535 N 3.82 0.40 -2.89 4.03 3.64 -1.53 -3.45 116.57 120.58 3ig5 h LYS 535 Ca -0.49 -0.26 -0.12 0.00 -1.27 0.00 0.00 60.65 58.51 3ig5 h LYS 535 Cb 1.23 0.03 -0.21 0.00 -0.41 0.00 0.00 32.23 32.87 3ig5 h LYS 535 CO 0.70 0.86 -0.24 0.45 -2.27 0.00 0.00 179.45 178.95 3ig5 s SER 536 N -6.91 -0.29 -0.01 4.20 0.15 -1.26 -4.44 113.70 105.13 3ig5 s SER 536 Ca -0.06 0.35 0.22 0.00 0.70 0.00 0.00 55.95 57.16 3ig5 s SER 536 Cb 0.12 0.48 -0.31 0.00 -1.71 0.00 0.00 66.02 64.60 3ig5 s SER 536 CO 0.82 -0.36 0.55 0.49 1.20 0.00 0.00 173.24 175.94 3ig5 n PHE 537 N 1.77 0.06 -3.70 3.44 3.01 -1.26 -4.74 117.46 116.04 3ig5 n PHE 537 Ca -0.19 0.02 -0.36 0.00 1.01 0.00 0.00 57.45 57.93 3ig5 n PHE 537 Cb 0.56 -0.50 -0.08 0.00 -0.01 0.00 0.00 39.48 39.45 3ig5 n PHE 537 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3ig5 s ARG 538 N -3.47 2.84 0.00 -1.08 0.52 -1.26 0.15 118.95 116.64 3ig5 s ARG 538 Ca -0.06 -2.87 0.00 0.00 -0.52 0.00 0.00 55.73 52.27 3ig5 s ARG 538 Cb 0.14 -3.80 0.00 0.00 0.52 0.00 0.00 34.95 31.81 3ig5 s ARG 538 CO 0.90 -1.22 0.00 0.09 0.02 0.00 0.00 175.30 175.09 3ig5 n ASN 539 N 2.95 0.00 -4.77 0.23 3.02 -1.26 -5.04 115.26 110.39 3ig5 n ASN 539 Ca 0.14 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.29 3ig5 n ASN 539 Cb 0.37 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.54 3ig5 n ASN 539 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ig5 s ASP 540 N 0.00 6.35 0.00 6.41 2.15 -1.26 -3.62 116.67 126.70 3ig5 s ASP 540 Ca 0.00 2.72 0.00 0.00 0.43 0.00 0.00 52.55 55.70 3ig5 s ASP 540 Cb 0.00 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 3ig5 s ASP 540 CO 0.00 -0.83 0.00 0.35 -0.17 0.00 0.00 175.17 174.52 3ig5 n THR 541 N 0.24 0.00 -1.87 1.71 -2.24 -1.26 -4.94 114.28 105.92 3ig5 n THR 541 Ca 0.03 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 3ig5 n THR 541 Cb 0.43 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.65 3ig5 n THR 541 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ig5 s ASP 542 N 0.00 6.43 0.00 3.42 2.15 -1.24 -4.96 116.67 122.48 3ig5 s ASP 542 Ca 0.00 2.98 0.16 0.00 0.43 0.00 0.00 52.55 56.11 3ig5 s ASP 542 Cb 0.00 -2.66 0.26 0.00 -0.30 0.00 0.00 42.92 40.22 3ig5 s ASP 542 CO 0.00 -0.80 1.10 1.33 -0.17 0.00 0.00 175.17 176.63 3ig5 n VAL 543 N 0.55 0.00 -1.85 1.11 0.24 -1.26 -4.88 118.33 112.23 3ig5 n VAL 543 Ca 0.01 -0.61 -0.41 0.00 -2.04 0.00 0.00 64.34 61.28 3ig5 n VAL 543 Cb 0.40 0.80 -0.01 0.00 -1.47 0.00 0.00 33.84 33.56 3ig5 n VAL 543 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3ig5 s GLU 544 N 0.00 4.16 0.27 7.34 2.02 -1.26 -4.73 118.70 126.50 3ig5 s GLU 544 Ca 0.21 2.50 0.12 0.00 0.02 0.00 0.00 54.97 57.81 3ig5 s GLU 544 Cb 0.24 -3.03 -0.05 0.00 0.10 0.00 0.00 34.13 31.39 3ig5 s GLU 544 CO -0.10 -0.54 -0.20 0.95 0.02 0.00 0.00 175.26 175.39 3ig5 s THR 545 N -0.33 2.42 0.38 3.63 -4.23 -1.26 -1.36 115.64 114.89 3ig5 s THR 545 Ca 0.59 -2.37 0.04 0.00 -1.18 0.00 0.00 61.69 58.76 3ig5 s THR 545 Cb -0.46 -2.27 -0.03 0.00 1.34 0.00 0.00 72.50 71.08 3ig5 s THR 545 CO 0.51 -0.39 0.12 -1.61 -0.54 0.00 0.00 174.62 172.70 3ig5 s GLU 546 N -3.46 1.83 -0.25 3.99 2.02 -0.74 -4.81 118.70 117.28 3ig5 s GLU 546 Ca 0.29 -2.09 -0.10 0.00 0.02 0.00 0.00 54.97 53.10 3ig5 s GLU 546 Cb -0.05 -0.59 -0.04 0.00 0.10 0.00 0.00 34.13 33.54 3ig5 s GLU 546 CO 0.14 -0.42 0.14 -0.51 0.02 0.00 0.00 175.26 174.64 3ig5 s ASP 547 N -3.55 5.83 0.10 -0.19 1.01 -1.26 -1.34 116.67 117.27 3ig5 s ASP 547 Ca 0.28 -0.00 0.07 0.00 0.71 0.00 0.00 52.55 53.60 3ig5 s ASP 547 Cb 0.04 -2.06 -0.03 0.00 1.01 0.00 0.00 42.92 41.88 3ig5 s ASP 547 CO 0.15 0.02 -0.17 -0.31 0.21 0.00 0.00 175.17 175.07 3ig5 s TYR 548 N 1.35 1.50 0.83 4.23 2.02 -0.53 -4.78 117.35 121.96 3ig5 s TYR 548 Ca 0.07 -0.46 -0.12 0.00 -0.37 0.00 0.00 57.07 56.19 3ig5 s TYR 548 Cb -0.15 -0.82 0.09 0.00 -0.40 0.00 0.00 41.96 40.68 3ig5 s TYR 548 CO 0.06 0.14 1.13 -1.54 -1.57 0.00 0.00 175.55 173.77 3ig5 s SER 549 N -1.95 4.29 0.32 2.29 1.04 -1.26 -0.47 113.70 117.95 3ig5 s SER 549 Ca 0.04 1.06 0.00 0.00 0.48 0.00 0.00 55.95 57.53 3ig5 s SER 549 Cb -0.09 -1.70 0.51 0.00 0.10 0.00 0.00 66.02 64.84 3ig5 s SER 549 CO 0.03 -2.07 1.94 0.40 0.98 0.00 0.00 173.24 174.52 3ig5 h ILE 550 N -1.16 1.20 -0.28 -1.02 1.08 -1.78 0.80 117.51 116.35 3ig5 h ILE 550 Ca -0.48 -0.50 -0.01 0.00 -0.39 0.00 0.00 64.86 63.49 3ig5 h ILE 550 Cb 1.30 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.38 3ig5 h ILE 550 CO 0.62 0.22 0.15 -1.28 -0.69 0.00 0.00 178.15 177.17 3ig5 h SER 551 N 0.89 0.35 -0.59 1.72 0.87 -1.79 0.70 113.55 115.69 3ig5 h SER 551 Ca 0.23 -0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.71 3ig5 h SER 551 Cb 0.03 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 61.87 3ig5 h SER 551 CO -0.04 0.34 0.37 -0.33 -0.53 0.00 0.00 176.83 176.65 3ig5 h GLU 552 N 0.33 0.72 -0.55 2.24 5.08 -1.84 -1.27 114.58 119.29 3ig5 h GLU 552 Ca 0.10 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3ig5 h GLU 552 Cb 0.07 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3ig5 h GLU 552 CO -0.01 0.48 0.25 0.82 -1.00 0.00 0.00 179.01 179.54 3ig5 h ILE 553 N 0.74 1.19 0.01 3.13 2.04 -0.23 0.12 117.51 124.50 3ig5 h ILE 553 Ca 0.23 -0.55 -0.20 0.00 1.00 0.00 0.00 64.86 65.34 3ig5 h ILE 553 Cb -0.01 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 3ig5 h ILE 553 CO -0.09 0.22 -0.88 -0.26 0.00 0.00 0.00 178.15 177.14 3ig5 h PHE 554 N 0.77 0.27 -0.00 1.37 0.04 -0.72 0.49 116.94 119.17 3ig5 h PHE 554 Ca 0.19 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3ig5 h PHE 554 Cb 0.11 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.23 3ig5 h PHE 554 CO 0.01 0.97 -0.01 0.72 -0.60 0.00 0.00 178.31 179.40 3ig5 n HIS 555 N -3.64 0.00 -2.06 -0.55 8.25 -0.49 -0.92 115.22 115.80 3ig5 n HIS 555 Ca -0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 3ig5 n HIS 555 Cb 0.81 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.90 3ig5 n HIS 555 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3ig5 s ASN 556 N -0.43 6.71 0.35 0.41 0.01 0.34 -4.77 114.94 117.56 3ig5 s ASN 556 Ca 0.01 2.53 0.08 0.00 -0.71 0.00 0.00 52.86 54.77 3ig5 s ASN 556 Cb 0.01 -2.60 0.80 0.00 0.41 0.00 0.00 41.25 39.86 3ig5 s ASN 556 CO 0.01 -0.70 1.87 -0.65 -1.51 0.00 0.00 177.10 176.12 3ig5 h PRO 557 N 6.06 0.69 0.00 -0.60 0.11 -1.93 0.37 132.00 136.70 3ig5 h PRO 557 Ca -0.44 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 65.42 3ig5 h PRO 557 Cb 1.21 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3ig5 h PRO 557 CO 0.84 0.46 -1.09 0.93 -0.21 0.00 0.00 178.00 178.93 3ig5 h GLU 558 N 0.72 0.00 0.00 1.05 4.39 -1.92 -3.41 114.58 115.41 3ig5 h GLU 558 Ca 0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.15 3ig5 h GLU 558 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 3ig5 h GLU 558 CO -0.21 0.77 -0.11 0.27 -1.16 0.00 0.00 179.01 178.57 3ig5 n ASN 559 N -3.24 0.00 -4.86 1.42 6.94 -1.19 -4.48 115.26 109.85 3ig5 n ASN 559 Ca -0.04 -1.23 -0.31 0.00 -0.02 0.00 0.00 54.58 52.98 3ig5 n ASN 559 Cb 0.92 -0.05 -0.04 0.00 -2.36 0.00 0.00 39.78 38.26 3ig5 n ASN 559 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3ig5 s GLY 560 N -0.23 2.06 0.15 4.83 0.00 0.13 -4.88 107.32 109.38 3ig5 s GLY 560 Ca 0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 44.72 44.51 3ig5 s GLY 560 CO 0.00 0.17 1.76 -2.22 0.00 0.00 0.00 173.10 172.81 3ig5 h ILE 561 N 1.25 0.93 0.56 0.90 2.04 -0.56 0.15 117.51 122.78 3ig5 h ILE 561 Ca -0.47 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 3ig5 h ILE 561 Cb 1.18 0.61 0.01 0.00 -0.74 0.00 0.00 36.82 37.88 3ig5 h ILE 561 CO 0.63 0.05 -0.27 -0.26 0.00 0.00 0.00 178.15 178.31 3ig5 h PHE 562 N 0.29 -0.70 0.00 1.37 0.04 -1.31 0.12 116.94 116.75 3ig5 h PHE 562 Ca 0.15 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 3ig5 h PHE 562 Cb 0.11 0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.48 3ig5 h PHE 562 CO -0.13 -0.37 -0.14 -1.35 -0.60 0.00 0.00 178.31 175.72 3ig5 h PRO 563 N -1.06 0.00 0.00 1.51 0.11 -1.76 0.18 132.00 130.98 3ig5 h PRO 563 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3ig5 h PRO 563 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3ig5 h PRO 563 CO 0.13 0.14 -1.50 1.04 -0.21 0.00 0.00 178.00 177.60 3ig5 n GLN 564 N -3.63 0.65 0.02 1.05 1.13 0.04 -4.36 117.38 112.27 3ig5 n GLN 564 Ca -0.02 -0.11 0.00 0.00 -1.94 0.00 0.00 57.00 54.94 3ig5 n GLN 564 Cb 0.27 -1.29 0.00 0.00 0.11 0.00 0.00 30.24 29.33 3ig5 n GLN 564 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 3ig5 n PHE 565 N -1.89 -0.02 0.14 1.08 3.01 0.22 -4.77 117.46 115.23 3ig5 n PHE 565 Ca -0.02 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.38 3ig5 n PHE 565 Cb 0.33 0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.78 3ig5 n PHE 565 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3ig5 h VAL 566 N 0.00 0.00 -0.64 -4.37 2.07 -0.87 -3.01 116.25 109.43 3ig5 h VAL 566 Ca 0.00 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.16 3ig5 h VAL 566 Cb 0.58 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 3ig5 h VAL 566 CO 0.00 0.00 0.39 0.74 0.02 0.00 0.00 177.57 178.72 3ig5 h THR 567 N -0.80 1.07 -0.30 2.57 2.02 -0.88 -2.14 112.91 114.45 3ig5 h THR 567 Ca -0.04 -0.26 0.07 0.00 0.77 0.00 0.00 66.41 66.95 3ig5 h THR 567 Cb 0.31 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3ig5 h THR 567 CO 0.07 0.14 0.21 -0.65 0.37 0.00 0.00 175.52 175.66 3ig5 h PRO 568 N 0.76 0.08 0.12 6.66 0.11 -1.75 0.08 132.00 138.05 3ig5 h PRO 568 Ca 0.26 -0.00 -0.29 0.00 0.11 0.00 0.00 66.00 66.08 3ig5 h PRO 568 Cb 0.04 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 3ig5 h PRO 568 CO -0.11 0.05 -1.36 0.97 -0.21 0.00 0.00 178.00 177.34 3ig5 h ILE 569 N 0.08 1.36 -0.74 4.15 6.09 -1.26 -2.32 117.51 124.86 3ig5 h ILE 569 Ca 0.14 -2.96 -0.05 0.00 -1.37 0.00 0.00 64.86 60.62 3ig5 h ILE 569 Cb 0.45 2.86 -0.03 0.00 0.47 0.00 0.00 36.82 40.57 3ig5 h ILE 569 CO -0.01 0.86 0.26 -0.07 -3.07 0.00 0.00 178.15 176.12 3ig5 h LEU 570 N 0.07 1.05 0.05 2.19 3.38 -1.07 0.01 115.31 120.99 3ig5 h LEU 570 Ca -0.18 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.64 3ig5 h LEU 570 Cb 1.99 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 42.43 3ig5 h LEU 570 CO 0.18 0.95 -0.18 0.00 0.09 0.00 0.00 178.44 179.49 3ig5 h GLN 572 N -0.31 0.00 -0.01 0.00 -0.00 -1.07 0.10 115.11 113.82 3ig5 h GLN 572 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 3ig5 h GLN 572 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.84 3ig5 h GLN 572 CO -0.13 0.00 -0.09 1.63 -0.00 0.00 0.00 178.83 180.24 3ig5 n LYS 573 N -3.09 1.01 -0.93 0.06 5.02 -0.04 -4.94 118.16 115.24 3ig5 n LYS 573 Ca 0.02 -0.43 0.00 0.00 -2.02 0.00 0.00 58.31 55.88 3ig5 n LYS 573 Cb 0.39 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 3ig5 n LYS 573 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ig5 n GLY 574 N 1.22 0.46 0.08 0.72 0.00 0.36 -4.94 105.19 103.08 3ig5 n GLY 574 Ca 0.17 -0.70 -0.06 0.00 0.00 0.00 0.00 46.02 45.43 3ig5 n GLY 574 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3ig5 h PHE 575 N 0.00 0.00 -4.15 1.61 -1.00 -1.17 -3.47 116.94 108.75 3ig5 h PHE 575 Ca 0.00 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.64 3ig5 h PHE 575 Cb 0.00 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 39.42 3ig5 h PHE 575 CO 0.00 0.91 -0.52 0.14 -1.61 0.00 0.00 178.31 177.24 3ig5 s VAL 576 N -2.73 0.11 -0.25 -0.55 -7.23 -1.16 -4.82 120.40 103.77 3ig5 s VAL 576 Ca 0.00 -1.64 -0.14 0.00 -1.81 0.00 0.00 61.98 58.39 3ig5 s VAL 576 Cb 0.09 -1.82 -0.15 0.00 0.56 0.00 0.00 36.38 35.06 3ig5 s VAL 576 CO 0.81 -0.51 -0.16 0.35 -0.31 0.00 0.00 175.10 175.28 3ig5 n THR 577 N -0.10 1.54 -0.03 5.32 -2.24 -1.26 -4.18 114.28 113.34 3ig5 n THR 577 Ca -0.08 -0.33 -0.04 0.00 -2.27 0.00 0.00 64.05 61.33 3ig5 n THR 577 Cb 0.63 -1.86 -0.02 0.00 -2.10 0.00 0.00 70.33 66.97 3ig5 n THR 577 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ig5 n LYS 578 N -4.15 0.13 -3.78 -0.78 5.02 -1.26 -4.89 118.16 108.44 3ig5 n LYS 578 Ca -0.47 0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 55.73 3ig5 n LYS 578 Cb 0.86 -1.02 -0.11 0.00 -0.02 0.00 0.00 35.03 34.74 3ig5 n LYS 578 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ig5 s ASP 579 N -4.71 -0.26 0.42 4.39 2.15 -1.26 -5.01 116.67 112.39 3ig5 s ASP 579 Ca -0.07 0.44 0.14 0.00 0.43 0.00 0.00 52.55 53.49 3ig5 s ASP 579 Cb 0.02 0.52 1.01 0.00 -0.30 0.00 0.00 42.92 44.17 3ig5 s ASP 579 CO 0.11 -0.19 1.96 4.11 -0.17 0.00 0.00 175.17 181.00 3ig5 h TRP 580 N 5.25 0.49 0.00 -5.34 5.08 -1.95 -2.65 115.95 116.82 3ig5 h TRP 580 Ca -0.27 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.71 3ig5 h TRP 580 Cb 1.19 -0.16 0.00 0.00 -3.00 0.00 0.00 29.16 27.19 3ig5 h TRP 580 CO 0.44 0.22 0.00 0.87 -1.28 0.00 0.00 178.44 178.69 3ig5 h LYS 581 N 0.44 0.00 0.00 0.12 1.57 -1.98 -1.64 116.57 115.09 3ig5 h LYS 581 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3ig5 h LYS 581 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3ig5 h LYS 581 CO -0.09 0.00 0.00 -0.85 -0.57 0.00 0.00 179.45 177.94 3ig5 n GLU 582 N -2.54 0.11 0.30 3.15 0.28 -1.00 -2.12 120.64 118.82 3ig5 n GLU 582 Ca -0.01 0.33 0.16 0.00 -0.16 0.00 0.00 57.16 57.48 3ig5 n GLU 582 Cb 0.08 -1.70 0.94 0.00 1.43 0.00 0.00 31.44 32.19 3ig5 n GLU 582 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 3ig5 h LEU 583 N 0.00 0.00 -1.48 -1.84 3.38 -1.51 -2.86 115.31 111.00 3ig5 h LEU 583 Ca 0.00 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.20 3ig5 h LEU 583 Cb 0.33 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 3ig5 h LEU 583 CO 0.00 0.02 0.63 0.50 0.09 0.00 0.00 178.44 179.67 3ig5 h LYS 584 N 0.00 0.38 -0.48 1.13 3.64 -1.65 -1.39 116.57 118.20 3ig5 h LYS 584 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3ig5 h LYS 584 Cb 0.05 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3ig5 h LYS 584 CO 0.00 0.25 0.00 0.72 -2.27 0.00 0.00 179.45 178.15 3ig5 n HIS 585 N -4.53 0.73 -2.83 1.91 8.25 -1.08 -4.86 115.22 112.81 3ig5 n HIS 585 Ca 0.21 -0.53 -0.40 0.00 -0.26 0.00 0.00 57.72 56.74 3ig5 n HIS 585 Cb 0.77 -0.05 -0.06 0.00 1.12 0.00 0.00 29.99 31.76 3ig5 n HIS 585 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3ig5 s SER 586 N -1.05 7.53 -0.02 0.41 0.15 -0.52 -4.98 113.70 115.21 3ig5 s SER 586 Ca 0.34 1.81 -0.25 0.00 0.70 0.00 0.00 55.95 58.56 3ig5 s SER 586 Cb 0.19 -2.57 -0.20 0.00 -1.71 0.00 0.00 66.02 61.74 3ig5 s SER 586 CO 0.21 0.15 1.20 0.77 1.20 0.00 0.00 173.24 176.77 3ig5 h SER 587 N 4.43 0.11 1.63 5.45 4.64 -1.93 -3.25 113.55 124.63 3ig5 h SER 587 Ca -0.45 -0.58 0.00 0.00 -0.47 0.00 0.00 61.79 60.29 3ig5 h SER 587 Cb 1.20 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3ig5 h SER 587 CO 0.68 0.67 -0.09 0.11 -0.87 0.00 0.00 176.83 177.33 3ig5 h LYS 588 N -0.44 0.00 0.00 4.77 1.79 -1.96 -3.38 116.57 117.36 3ig5 h LYS 588 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3ig5 h LYS 588 Cb 0.65 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 3ig5 h LYS 588 CO 0.01 0.00 -0.11 0.72 -1.08 0.00 0.00 179.45 179.00 3ig5 n HIS 589 N -2.62 0.00 -0.09 -1.35 8.25 -1.25 -4.79 115.22 113.37 3ig5 n HIS 589 Ca 0.05 -0.81 -0.01 0.00 -0.26 0.00 0.00 57.72 56.69 3ig5 n HIS 589 Cb 0.48 -0.13 0.26 0.00 1.12 0.00 0.00 29.99 31.71 3ig5 n HIS 589 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3ig5 h GLU 590 N 0.01 0.73 -0.21 -0.41 4.81 -1.70 -2.60 114.58 115.21 3ig5 h GLU 590 Ca -0.00 -0.12 -0.16 0.00 -0.13 0.00 0.00 59.36 58.95 3ig5 h GLU 590 Cb 1.08 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 3ig5 h GLU 590 CO 0.00 0.63 -0.53 -0.09 -0.73 0.00 0.00 179.01 178.29 3ig5 h ARG 591 N 0.71 0.60 -0.73 1.92 2.43 -1.90 -2.10 114.38 115.31 3ig5 h ARG 591 Ca 0.17 -0.37 0.09 0.00 -0.81 0.00 0.00 59.98 59.06 3ig5 h ARG 591 Cb 0.21 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.73 3ig5 h ARG 591 CO -0.01 0.98 0.38 1.25 -1.51 0.00 0.00 179.97 181.06 3ig5 h LEU 592 N 0.46 0.51 -0.49 3.80 5.85 -1.87 0.23 115.31 123.81 3ig5 h LEU 592 Ca 0.01 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.89 3ig5 h LEU 592 Cb 1.08 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.98 3ig5 h LEU 592 CO 0.10 0.29 -0.11 0.22 -0.34 0.00 0.00 178.44 178.60 3ig5 h TYR 593 N 0.65 -0.24 -0.20 1.25 3.20 -1.02 -1.43 116.97 119.17 3ig5 h TYR 593 Ca 0.36 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 62.15 3ig5 h TYR 593 Cb 0.36 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 3ig5 h TYR 593 CO -0.10 -0.20 -0.37 1.88 -1.64 0.00 0.00 178.16 177.73 3ig5 h TYR 594 N 0.01 0.52 0.01 -3.82 0.05 -0.65 0.21 116.97 113.30 3ig5 h TYR 594 Ca 0.24 -0.14 0.02 0.00 0.05 0.00 0.00 58.73 58.89 3ig5 h TYR 594 Cb 0.36 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 3ig5 h TYR 594 CO -0.41 0.76 -0.11 1.88 -1.05 0.00 0.00 178.16 179.23 3ig5 h TYR 595 N 0.37 -0.27 -0.18 4.88 0.05 -0.62 -0.49 116.97 120.71 3ig5 h TYR 595 Ca 0.04 0.01 -0.14 0.00 0.05 0.00 0.00 58.73 58.69 3ig5 h TYR 595 Cb 0.83 0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.68 3ig5 h TYR 595 CO 0.03 -0.16 -0.47 -0.07 -1.05 0.00 0.00 178.16 176.43 3ig5 h LEU 596 N -0.19 0.51 -0.53 3.88 3.38 -0.98 -1.73 115.31 119.66 3ig5 h LEU 596 Ca 0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3ig5 h LEU 596 Cb 0.23 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3ig5 h LEU 596 CO -0.10 0.91 0.23 0.50 0.09 0.00 0.00 178.44 180.06 3ig5 h LYS 597 N 0.38 0.78 -0.09 1.13 3.64 -0.49 0.28 116.57 122.20 3ig5 h LYS 597 Ca 0.02 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.28 3ig5 h LYS 597 Cb 0.97 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 3ig5 h LYS 597 CO 0.09 0.67 0.01 1.25 -2.27 0.00 0.00 179.45 179.19 3ig5 h LEU 598 N 0.71 -0.02 0.16 5.20 5.85 -0.76 0.25 115.31 126.69 3ig5 h LEU 598 Ca 0.18 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.93 3ig5 h LEU 598 Cb 0.17 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3ig5 h LEU 598 CO -0.02 0.00 -0.23 0.40 -0.34 0.00 0.00 178.44 178.25 3ig5 h ILE 599 N 0.04 0.49 -0.38 4.05 2.04 -1.17 -1.23 117.51 121.35 3ig5 h ILE 599 Ca 0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.95 3ig5 h ILE 599 Cb 0.04 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 3ig5 h ILE 599 CO -0.07 0.00 0.11 -1.28 0.00 0.00 0.00 178.15 176.92 3ig5 h SER 600 N -0.45 0.10 0.31 1.72 0.87 -0.19 0.37 113.55 116.26 3ig5 h SER 600 Ca 0.02 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 3ig5 h SER 600 Cb 0.46 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 3ig5 h SER 600 CO -0.10 0.09 -0.27 0.44 -0.53 0.00 0.00 176.83 176.46 3ig5 h ASP 601 N 0.26 0.00 0.25 6.23 3.32 -0.43 0.21 116.42 126.26 3ig5 h ASP 601 Ca 0.18 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.90 3ig5 h ASP 601 Cb 0.17 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.76 3ig5 h ASP 601 CO -0.20 0.27 -1.44 0.03 -1.72 0.00 0.00 179.24 176.19 3ig5 h ARG 602 N 0.00 0.55 -0.11 3.56 3.08 -0.80 -0.16 114.38 120.50 3ig5 h ARG 602 Ca -0.00 -0.90 -0.04 0.00 0.07 0.00 0.00 59.98 59.11 3ig5 h ARG 602 Cb 0.50 0.33 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 3ig5 h ARG 602 CO 0.04 1.43 -0.10 0.00 -1.07 0.00 0.00 179.97 180.26 3ig5 h ALA 603 N 0.20 1.62 -0.01 0.04 0.00 -0.59 -2.21 119.26 118.31 3ig5 h ALA 603 Ca -0.24 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3ig5 h ALA 603 Cb 2.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.85 3ig5 h ALA 603 CO 0.27 0.28 -0.21 -1.13 0.00 0.00 0.00 179.25 178.46 3ig5 n SER 604 N -4.33 0.86 0.00 0.00 3.41 0.03 -2.98 113.62 110.62 3ig5 n SER 604 Ca -0.01 -0.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 3ig5 n SER 604 Cb 0.23 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 3ig5 n SER 604 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ig5 n GLY 605 N 1.32 0.75 0.22 5.00 0.00 -0.83 -4.94 105.19 106.72 3ig5 n GLY 605 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.24 3ig5 n GLY 605 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ig5 h GLU 606 N 4.03 0.00 -5.53 1.61 4.39 -1.32 -3.43 114.58 114.32 3ig5 h GLU 606 Ca 0.00 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.23 3ig5 h GLU 606 Cb 0.00 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 28.41 3ig5 h GLU 606 CO 0.00 0.26 -0.80 -0.51 -1.16 0.00 0.00 179.01 176.79 3ig5 s LEU 607 N -7.06 2.19 0.43 1.33 1.43 -0.63 -4.97 118.68 111.40 3ig5 s LEU 607 Ca -0.01 -0.51 -0.23 0.00 -1.03 0.00 0.00 54.13 52.36 3ig5 s LEU 607 Cb 0.11 -0.68 -0.09 0.00 0.03 0.00 0.00 46.19 45.56 3ig5 s LEU 607 CO 0.65 0.05 1.05 -2.16 0.23 0.00 0.00 176.35 176.16 3ig5 s PRO 608 N -1.28 4.02 0.80 1.29 0.04 -1.26 -4.39 135.00 134.22 3ig5 s PRO 608 Ca 0.03 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.41 3ig5 s PRO 608 Cb -0.08 -2.38 0.08 0.00 0.04 0.00 0.00 34.50 32.16 3ig5 s PRO 608 CO 0.02 -0.26 1.14 0.95 0.04 0.00 0.00 177.00 178.88 3ig5 s THR 609 N -1.77 2.68 0.28 1.26 -4.23 -1.26 -4.80 115.64 107.80 3ig5 s THR 609 Ca 0.61 0.26 0.02 0.00 -1.18 0.00 0.00 61.69 61.40 3ig5 s THR 609 Cb -0.20 -2.61 0.27 0.00 1.34 0.00 0.00 72.50 71.30 3ig5 s THR 609 CO 0.25 -0.26 1.74 0.74 -0.54 0.00 0.00 174.62 176.55 3ig5 h THR 610 N -1.06 0.63 -0.99 3.99 2.02 -1.88 0.19 112.91 115.81 3ig5 h THR 610 Ca -0.45 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 66.55 3ig5 h THR 610 Cb 1.26 0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 3ig5 h THR 610 CO 0.48 0.10 0.65 0.00 0.37 0.00 0.00 175.52 177.12 3ig5 h ALA 611 N 1.63 1.27 -0.02 6.16 0.00 -1.60 0.49 119.26 127.19 3ig5 h ALA 611 Ca 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 3ig5 h ALA 611 Cb 0.85 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3ig5 h ALA 611 CO -0.43 0.67 -0.03 -0.22 0.00 0.00 0.00 179.25 179.24 3ig5 h LYS 612 N 1.35 0.05 -0.63 0.00 1.63 -1.61 -1.17 116.57 116.19 3ig5 h LYS 612 Ca 0.36 -0.03 0.12 0.00 -0.85 0.00 0.00 60.65 60.25 3ig5 h LYS 612 Cb -0.14 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 31.37 3ig5 h LYS 612 CO -0.08 0.60 -0.23 0.35 -3.45 0.00 0.00 179.45 176.64 3ig5 h PHE 613 N -0.50 -0.57 -0.38 1.91 3.57 -0.83 0.12 116.94 120.26 3ig5 h PHE 613 Ca 0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3ig5 h PHE 613 Cb 0.60 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 3ig5 h PHE 613 CO 0.12 -0.33 0.24 0.74 -2.23 0.00 0.00 178.31 176.86 3ig5 h PHE 614 N -0.07 0.49 0.10 0.41 -1.00 -0.80 -1.12 116.94 114.96 3ig5 h PHE 614 Ca 0.29 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 61.07 3ig5 h PHE 614 Cb 0.51 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.91 3ig5 h PHE 614 CO -0.57 0.33 -0.05 -0.09 -1.61 0.00 0.00 178.31 176.32 3ig5 h ARG 615 N 0.51 -0.13 -0.58 1.51 2.43 -0.73 -1.41 114.38 115.98 3ig5 h ARG 615 Ca 0.14 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.43 3ig5 h ARG 615 Cb -0.03 0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 29.44 3ig5 h ARG 615 CO -0.03 0.06 -0.14 -0.91 -1.51 0.00 0.00 179.97 177.44 3ig5 h ASN 616 N -0.29 -0.52 -0.11 -3.80 2.35 -0.74 -1.59 115.58 110.88 3ig5 h ASN 616 Ca -0.01 0.17 0.04 0.00 -0.55 0.00 0.00 56.30 55.95 3ig5 h ASN 616 Cb 0.24 0.35 -0.05 0.00 0.05 0.00 0.00 38.32 38.91 3ig5 h ASN 616 CO 0.02 -0.19 -0.24 0.15 -1.65 0.00 0.00 177.43 175.52 3ig5 h PHE 617 N 0.01 -0.65 -0.93 1.19 3.04 -0.55 -1.05 116.94 118.00 3ig5 h PHE 617 Ca 0.28 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.26 3ig5 h PHE 617 Cb 0.43 0.31 -0.05 0.00 2.56 0.00 0.00 35.95 39.20 3ig5 h PHE 617 CO -0.47 -0.33 0.59 0.28 -2.02 0.00 0.00 178.31 176.37 3ig5 h VAL 618 N -0.32 1.25 -0.02 1.41 2.07 -0.72 -2.52 116.25 117.40 3ig5 h VAL 618 Ca 0.09 -0.49 -0.14 0.00 0.82 0.00 0.00 66.70 66.98 3ig5 h VAL 618 Cb 0.46 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 3ig5 h VAL 618 CO -0.29 0.25 -0.64 -0.07 0.02 0.00 0.00 177.57 176.83 3ig5 h LEU 619 N 1.27 0.11 -1.70 2.57 3.38 -0.50 -2.95 115.31 117.50 3ig5 h LEU 619 Ca 0.34 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3ig5 h LEU 619 Cb -0.11 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3ig5 h LEU 619 CO -0.07 0.72 0.00 0.00 0.09 0.00 0.00 178.44 179.19 3ig5 n GLN 620 N -3.81 2.12 -2.59 1.13 6.02 -0.47 -4.91 117.38 114.88 3ig5 n GLN 620 Ca -0.02 -1.68 -0.42 0.00 -0.01 0.00 0.00 57.00 54.88 3ig5 n GLN 620 Cb 0.64 -1.46 -0.04 0.00 1.02 0.00 0.00 30.24 30.41 3ig5 n GLN 620 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3ig5 s HIS 621 N -1.70 3.62 0.60 1.08 2.46 -0.96 -4.91 115.29 115.48 3ig5 s HIS 621 Ca 0.35 1.59 0.30 0.00 0.47 0.00 0.00 55.06 57.76 3ig5 s HIS 621 Cb 0.20 -3.23 1.65 0.00 -0.13 0.00 0.00 32.58 31.08 3ig5 s HIS 621 CO 0.29 -0.46 2.05 -1.35 -2.47 0.00 0.00 174.74 172.81 3ig5 h PRO 622 N 6.10 0.00 -0.30 2.88 0.11 -1.91 0.35 132.00 139.23 3ig5 h PRO 622 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3ig5 h PRO 622 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3ig5 h PRO 622 CO 0.75 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.29 3ig5 n ASP 623 N -3.66 2.53 -4.73 -2.05 8.00 -1.26 -4.94 116.55 110.44 3ig5 n ASP 623 Ca 0.02 -1.87 -0.41 0.00 0.71 0.00 0.00 54.79 53.24 3ig5 n ASP 623 Cb 0.39 -0.19 -0.04 0.00 -0.02 0.00 0.00 41.12 41.26 3ig5 n ASP 623 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3ig5 s TYR 624 N -1.62 3.48 -0.25 1.24 5.04 0.12 -4.94 117.35 120.43 3ig5 s TYR 624 Ca 0.35 1.46 0.13 0.00 -2.44 0.00 0.00 57.07 56.57 3ig5 s TYR 624 Cb 0.20 -3.38 0.67 0.00 0.35 0.00 0.00 41.96 39.80 3ig5 s TYR 624 CO 0.28 -1.02 1.64 1.63 -1.34 0.00 0.00 175.55 176.74 3ig5 n LYS 625 N 2.69 3.59 -2.37 4.97 4.76 -1.26 -4.93 118.16 125.60 3ig5 n LYS 625 Ca 0.04 -3.04 -0.16 0.00 -2.87 0.00 0.00 58.31 52.28 3ig5 n LYS 625 Cb 0.45 -2.07 -0.01 0.00 -1.84 0.00 0.00 35.03 31.56 3ig5 n LYS 625 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3ig5 n HIS 626 N -0.17 -1.17 -0.91 2.13 8.25 -1.26 -4.80 115.22 117.29 3ig5 n HIS 626 Ca 0.30 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.79 3ig5 n HIS 626 Cb 1.15 -3.30 0.04 0.00 1.12 0.00 0.00 29.99 28.99 3ig5 n HIS 626 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3ig5 n ASP 627 N -1.85 1.32 0.00 0.41 5.75 -1.26 -1.17 116.55 119.75 3ig5 n ASP 627 Ca -0.19 -2.12 0.00 0.00 -0.01 0.00 0.00 54.79 52.46 3ig5 n ASP 627 Cb 0.64 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 3ig5 n ASP 627 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3ig5 n SER 628 N -0.58 -0.93 -4.76 -1.12 7.64 -1.26 -4.35 113.62 108.26 3ig5 n SER 628 Ca 0.05 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.55 3ig5 n SER 628 Cb 0.50 -0.77 -0.06 0.00 -1.01 0.00 0.00 64.21 62.87 3ig5 n SER 628 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3ig5 s LYS 629 N -0.31 4.23 -0.36 1.43 1.02 -1.26 -0.60 119.74 123.90 3ig5 s LYS 629 Ca 0.00 0.47 -0.13 0.00 0.02 0.00 0.00 55.97 56.33 3ig5 s LYS 629 Cb 0.00 -3.37 -0.01 0.00 -0.52 0.00 0.00 37.83 33.93 3ig5 s LYS 629 CO 0.00 0.33 0.25 0.42 -0.92 0.00 0.00 175.35 175.43 3ig5 s ILE 630 N 0.06 5.25 0.51 2.17 1.01 0.53 -4.71 121.20 126.01 3ig5 s ILE 630 Ca 0.26 -0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.56 3ig5 s ILE 630 Cb -0.16 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.57 3ig5 s ILE 630 CO 0.12 -0.08 0.76 -0.94 0.00 0.00 0.00 174.94 174.80 3ig5 s SER 631 N 1.71 5.71 0.30 3.58 1.04 -1.26 -4.75 113.70 120.03 3ig5 s SER 631 Ca 0.06 0.43 0.05 0.00 0.48 0.00 0.00 55.95 56.96 3ig5 s SER 631 Cb -0.18 -1.56 0.68 0.00 0.10 0.00 0.00 66.02 65.07 3ig5 s SER 631 CO 0.10 -0.86 1.81 0.11 0.98 0.00 0.00 173.24 175.38 3ig5 h LYS 632 N 0.17 0.82 -0.18 4.02 1.57 -1.94 0.36 116.57 121.38 3ig5 h LYS 632 Ca -0.46 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.25 3ig5 h LYS 632 Cb 1.26 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 3ig5 h LYS 632 CO 0.58 0.54 0.03 1.03 -0.57 0.00 0.00 179.45 181.06 3ig5 h SER 633 N 0.85 0.29 -0.23 0.86 0.87 -1.94 0.14 113.55 114.39 3ig5 h SER 633 Ca 0.54 -0.26 -0.04 0.00 -1.23 0.00 0.00 61.79 60.80 3ig5 h SER 633 Cb 0.74 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 3ig5 h SER 633 CO -0.32 0.48 -0.00 0.40 -0.53 0.00 0.00 176.83 176.85 3ig5 h ILE 634 N 0.10 1.26 -0.50 2.23 2.04 -1.47 -2.36 117.51 118.80 3ig5 h ILE 634 Ca 0.06 -0.90 0.09 0.00 1.00 0.00 0.00 64.86 65.11 3ig5 h ILE 634 Cb 0.31 1.39 -0.08 0.00 -0.74 0.00 0.00 36.82 37.71 3ig5 h ILE 634 CO 0.00 0.28 0.04 -1.13 0.00 0.00 0.00 178.15 177.34 3ig5 h ASN 635 N 0.18 -0.13 -0.02 1.72 -1.24 -0.25 0.35 115.58 116.18 3ig5 h ASN 635 Ca 0.07 0.11 0.03 0.00 0.71 0.00 0.00 56.30 57.21 3ig5 h ASN 635 Cb 0.41 0.18 -0.04 0.00 0.73 0.00 0.00 38.32 39.60 3ig5 h ASN 635 CO 0.01 -0.04 -0.19 0.22 -1.29 0.00 0.00 177.43 176.14 3ig5 h TYR 636 N 0.16 -0.51 -0.68 0.67 3.20 -0.60 0.23 116.97 119.44 3ig5 h TYR 636 Ca 0.25 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.08 3ig5 h TYR 636 Cb 0.37 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 3ig5 h TYR 636 CO -0.28 -0.28 0.18 -0.44 -1.64 0.00 0.00 178.16 175.70 3ig5 h ASP 637 N -0.30 1.03 0.22 -2.11 3.32 -1.22 0.17 116.42 117.53 3ig5 h ASP 637 Ca 0.06 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 3ig5 h ASP 637 Cb 0.39 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3ig5 h ASP 637 CO -0.20 0.99 -0.16 0.25 -1.72 0.00 0.00 179.24 178.40 3ig5 h LEU 638 N 1.02 -0.41 -1.29 1.55 5.85 -0.50 -0.77 115.31 120.75 3ig5 h LEU 638 Ca 0.22 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 3ig5 h LEU 638 Cb 0.35 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3ig5 h LEU 638 CO 0.00 -0.25 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.55 3ig5 h LEU 639 N -0.39 0.00 -0.34 2.25 3.38 -0.35 -0.08 115.31 119.78 3ig5 h LEU 639 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3ig5 h LEU 639 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3ig5 h LEU 639 CO 0.00 0.22 0.07 0.28 0.09 0.00 0.00 178.44 179.10 3ig5 h SER 640 N 0.00 0.53 -0.80 -0.43 0.02 -0.46 -0.65 113.55 111.76 3ig5 h SER 640 Ca -0.00 -0.25 0.07 0.00 -0.84 0.00 0.00 61.79 60.77 3ig5 h SER 640 Cb 0.66 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.00 3ig5 h SER 640 CO 0.03 0.65 0.48 0.74 -1.14 0.00 0.00 176.83 177.58 3ig5 h THR 641 N 0.40 0.99 -0.73 -2.27 2.02 -0.16 -1.66 112.91 111.50 3ig5 h THR 641 Ca 0.11 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 3ig5 h THR 641 Cb 0.33 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 3ig5 h THR 641 CO 0.00 0.16 0.43 0.00 0.37 0.00 0.00 175.52 176.48 3ig5 h ASP 643 N 1.02 0.21 -0.57 0.00 3.58 -0.41 0.11 116.42 120.35 3ig5 h ASP 643 Ca 0.26 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 3ig5 h ASP 643 Cb -0.02 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 40.95 3ig5 h ASP 643 CO -0.05 0.35 0.27 0.03 -2.88 0.00 0.00 179.24 176.96 3ig5 h ARG 644 N 0.07 0.83 -0.14 0.28 3.08 -0.70 -2.56 114.38 115.24 3ig5 h ARG 644 Ca 0.05 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 59.99 3ig5 h ARG 644 Cb 0.21 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3ig5 h ARG 644 CO -0.00 0.69 0.02 -0.07 -1.07 0.00 0.00 179.97 179.53 3ig5 h LEU 645 N 0.78 -0.02 -1.38 3.04 3.38 -0.15 0.51 115.31 121.47 3ig5 h LEU 645 Ca 0.20 0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.43 3ig5 h LEU 645 Cb 0.14 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.84 3ig5 h LEU 645 CO -0.02 0.01 0.64 0.74 0.09 0.00 0.00 178.44 179.90 3ig5 h THR 646 N 0.07 0.59 -0.71 0.22 2.02 -0.55 -0.78 112.91 113.78 3ig5 h THR 646 Ca 0.06 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3ig5 h THR 646 Cb 0.06 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 3ig5 h THR 646 CO -0.09 0.08 0.00 1.41 0.37 0.00 0.00 175.52 177.29 3ig5 n HIS 647 N -4.60 1.16 -2.85 3.16 8.25 -0.73 -4.79 115.22 114.81 3ig5 n HIS 647 Ca 0.23 -0.54 -0.21 0.00 -0.26 0.00 0.00 57.72 56.95 3ig5 n HIS 647 Cb 0.79 -0.09 0.03 0.00 1.12 0.00 0.00 29.99 31.84 3ig5 n HIS 647 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ig5 n LEU 648 N 1.46 -2.49 -4.45 2.41 4.77 -0.30 -4.94 117.00 113.47 3ig5 n LEU 648 Ca 0.25 -0.22 -0.44 0.00 -0.03 0.00 0.00 56.01 55.57 3ig5 n LEU 648 Cb 0.72 -2.80 -0.05 0.00 -2.33 0.00 0.00 43.42 38.96 3ig5 n LEU 648 CO 0.19 0.14 0.53 -0.62 -1.33 0.00 0.00 177.39 176.30 3ig5 s ASP 649 N -2.62 6.23 -0.07 -1.43 -1.08 0.08 -4.89 116.67 112.89 3ig5 s ASP 649 Ca 0.23 -0.90 0.14 0.00 -0.52 0.00 0.00 52.55 51.50 3ig5 s ASP 649 Cb -0.10 -2.35 0.52 0.00 -1.46 0.00 0.00 42.92 39.53 3ig5 s ASP 649 CO 0.29 -1.12 1.40 -0.67 0.52 0.00 0.00 175.17 175.58 3ig5 n ASP 650 N 6.81 3.49 0.27 -0.34 2.03 -1.26 -4.47 116.55 123.09 3ig5 n ASP 650 Ca -0.05 -2.27 0.18 0.00 0.52 0.00 0.00 54.79 53.17 3ig5 n ASP 650 Cb 0.45 -0.47 0.94 0.00 -0.72 0.00 0.00 41.12 41.32 3ig5 n ASP 650 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3ig5 h SER 651 N 3.03 0.00 -0.41 1.67 4.64 -1.98 0.90 113.55 121.40 3ig5 h SER 651 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ig5 h SER 651 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3ig5 h SER 651 CO 0.14 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.39 3ig5 n LYS 652 N -3.48 3.10 -1.04 4.77 5.02 -1.26 -4.95 118.16 120.32 3ig5 n LYS 652 Ca -0.01 -2.51 -0.01 0.00 -2.02 0.00 0.00 58.31 53.76 3ig5 n LYS 652 Cb 0.24 -1.60 -0.01 0.00 -0.02 0.00 0.00 35.03 33.64 3ig5 n LYS 652 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ig5 n GLY 653 N 0.40 0.29 0.28 0.72 0.00 0.31 -4.89 105.19 102.31 3ig5 n GLY 653 Ca 0.18 -0.04 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 3ig5 n GLY 653 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ig5 h GLU 654 N 0.31 0.87 -0.32 1.61 5.08 -1.82 0.05 114.58 120.36 3ig5 h GLU 654 Ca -0.03 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 57.93 3ig5 h GLU 654 Cb 0.68 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3ig5 h GLU 654 CO 0.04 0.95 -0.15 1.25 -1.00 0.00 0.00 179.01 180.10 3ig5 h LEU 655 N 0.78 0.69 -0.90 1.33 5.85 -1.87 -1.13 115.31 120.05 3ig5 h LEU 655 Ca 0.12 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3ig5 h LEU 655 Cb 0.65 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 3ig5 h LEU 655 CO 0.04 0.95 0.58 0.74 -0.34 0.00 0.00 178.44 180.41 3ig5 h THR 656 N 0.44 1.24 -0.60 1.05 2.02 -1.81 0.26 112.91 115.51 3ig5 h THR 656 Ca 0.07 -0.46 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 3ig5 h THR 656 Cb 0.68 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 3ig5 h THR 656 CO 0.05 0.24 0.20 -1.28 0.37 0.00 0.00 175.52 175.09 3ig5 h SER 657 N 1.23 0.83 0.02 4.18 0.87 -0.64 0.18 113.55 120.22 3ig5 h SER 657 Ca 0.33 -0.13 -0.10 0.00 -1.23 0.00 0.00 61.79 60.66 3ig5 h SER 657 Cb -0.11 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.62 3ig5 h SER 657 CO -0.07 0.77 -0.54 0.15 -0.53 0.00 0.00 176.83 176.61 3ig5 h PHE 658 N 0.87 0.06 -0.01 2.24 3.57 -0.95 -3.37 116.94 119.35 3ig5 h PHE 658 Ca 0.20 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3ig5 h PHE 658 Cb 0.23 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.97 3ig5 h PHE 658 CO 0.02 1.21 -0.22 1.28 -2.23 0.00 0.00 178.31 178.36 3ig5 n LEU 659 N -4.48 1.26 -0.67 0.59 4.77 0.89 -4.50 117.00 114.86 3ig5 n LEU 659 Ca -0.18 -0.37 0.05 0.00 -0.03 0.00 0.00 56.01 55.48 3ig5 n LEU 659 Cb 0.59 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 3ig5 n LEU 659 CO 0.30 0.23 -0.26 0.61 -1.33 0.00 0.00 177.39 176.94 3ig5 n GLY 660 N 1.32 -3.12 0.24 -0.72 0.00 0.65 -4.23 105.19 99.32 3ig5 n GLY 660 Ca 0.13 -1.21 -0.06 0.00 0.00 0.00 0.00 46.02 44.88 3ig5 n GLY 660 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ig5 h ALA 661 N -0.38 0.75 0.04 4.61 0.00 -1.90 -0.64 119.26 121.74 3ig5 h ALA 661 Ca -0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ig5 h ALA 661 Cb 0.55 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3ig5 h ALA 661 CO 0.02 0.20 -0.02 1.49 0.00 0.00 0.00 179.25 180.95 3ig5 h GLU 662 N 0.80 -0.05 -0.52 0.00 4.81 -1.95 0.21 114.58 117.89 3ig5 h GLU 662 Ca 0.21 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3ig5 h GLU 662 Cb -0.06 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 3ig5 h GLU 662 CO -0.04 0.35 0.32 0.82 -0.73 0.00 0.00 179.01 179.72 3ig5 h ILE 663 N -0.45 1.15 -0.76 2.32 2.04 -1.72 -1.60 117.51 118.49 3ig5 h ILE 663 Ca -0.01 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3ig5 h ILE 663 Cb 0.42 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 3ig5 h ILE 663 CO 0.01 0.16 0.49 0.00 0.00 0.00 0.00 178.15 178.81 3ig5 h ALA 664 N 1.16 0.97 -0.60 1.87 0.00 -0.78 -0.70 119.26 121.18 3ig5 h ALA 664 Ca 0.19 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3ig5 h ALA 664 Cb -0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3ig5 h ALA 664 CO -0.04 0.40 0.01 0.93 0.00 0.00 0.00 179.25 180.55 3ig5 h GLU 665 N 1.04 1.05 0.18 0.00 4.39 -0.46 -1.72 114.58 119.05 3ig5 h GLU 665 Ca 0.28 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 3ig5 h GLU 665 Cb -0.10 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 3ig5 h GLU 665 CO -0.06 1.03 -0.08 -0.92 -1.16 0.00 0.00 179.01 177.81 3ig5 h TYR 666 N 0.95 -0.22 -0.06 4.33 3.20 -0.25 -1.58 116.97 123.34 3ig5 h TYR 666 Ca 0.17 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.86 3ig5 h TYR 666 Cb 0.54 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 3ig5 h TYR 666 CO 0.04 -0.12 -0.71 -0.39 -1.64 0.00 0.00 178.16 175.34 3ig5 h VAL 667 N -0.26 1.41 0.00 1.81 -1.51 -1.08 -0.46 116.25 116.16 3ig5 h VAL 667 Ca -0.02 -2.19 -0.01 0.00 -1.23 0.00 0.00 66.70 63.25 3ig5 h VAL 667 Cb 0.20 2.15 -0.00 0.00 -2.13 0.00 0.00 31.29 31.51 3ig5 h VAL 667 CO 0.04 0.65 -0.04 0.11 -1.23 0.00 0.00 177.57 177.10 3ig5 h LYS 668 N 0.20 0.00 -0.05 5.19 1.57 -1.24 -3.18 116.57 119.06 3ig5 h LYS 668 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3ig5 h LYS 668 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3ig5 h LYS 668 CO 0.11 0.04 0.00 1.63 -0.57 0.00 0.00 179.45 180.66 3ig5 n LYS 669 N -3.67 0.51 -3.58 3.15 5.02 -0.60 -4.94 118.16 114.05 3ig5 n LYS 669 Ca -0.03 -1.08 -0.19 0.00 -2.02 0.00 0.00 58.31 54.99 3ig5 n LYS 669 Cb 0.13 -1.14 -0.15 0.00 -0.02 0.00 0.00 35.03 33.86 3ig5 n LYS 669 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3ig5 s ASN 670 N -0.65 1.37 0.44 4.39 0.01 -0.28 -5.07 114.94 115.16 3ig5 s ASN 670 Ca 0.09 -0.12 -0.18 0.00 -0.71 0.00 0.00 52.86 51.95 3ig5 s ASN 670 Cb 0.06 0.21 -0.09 0.00 0.41 0.00 0.00 41.25 41.84 3ig5 s ASN 670 CO 0.09 -0.30 0.91 -0.54 -1.51 0.00 0.00 177.10 175.75 3ig5 s LYS 671 N 2.28 4.06 0.37 -0.60 1.02 -1.26 -4.61 119.74 121.00 3ig5 s LYS 671 Ca 0.05 0.94 -0.27 0.00 0.02 0.00 0.00 55.97 56.71 3ig5 s LYS 671 Cb -0.15 -2.22 -0.09 0.00 -0.52 0.00 0.00 37.83 34.85 3ig5 s LYS 671 CO -0.09 -0.09 1.24 -1.25 -0.92 0.00 0.00 175.35 174.24 3ig5 s PRO 672 N -3.52 4.15 0.00 -1.68 0.04 -1.26 -5.14 135.00 127.59 3ig5 s PRO 672 Ca 0.59 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.67 3ig5 s PRO 672 Cb -0.10 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.60 3ig5 s PRO 672 CO 0.22 -0.30 0.00 0.43 0.04 0.00 0.00 177.00 177.39