#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4g n ASP 11 N 0.00 -0.89 -4.92 3.14 9.92 -1.26 -5.09 116.55 117.44 1i4g n ASP 11 Ca 0.00 -0.92 -0.27 0.00 -0.53 0.00 0.00 54.79 53.07 1i4g n ASP 11 Cb 0.00 -3.50 -0.03 0.00 -0.64 0.00 0.00 41.12 36.95 1i4g n ASP 11 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1i4g s LEU 12 N -6.86 4.15 0.38 0.64 1.43 -1.26 -5.10 118.68 112.06 1i4g s LEU 12 Ca 0.04 0.49 -0.27 0.00 -1.03 0.00 0.00 54.13 53.36 1i4g s LEU 12 Cb -0.02 -3.28 -0.09 0.00 0.03 0.00 0.00 46.19 42.82 1i4g s LEU 12 CO 0.86 -0.13 1.28 -0.60 0.23 0.00 0.00 176.35 177.99 1i4g s ARG 13 N -3.56 4.10 0.10 1.70 6.06 -1.26 -5.01 118.95 121.08 1i4g s ARG 13 Ca 0.40 2.12 -0.13 0.00 -2.50 0.00 0.00 55.73 55.62 1i4g s ARG 13 Cb -0.11 -2.84 -0.06 0.00 0.06 0.00 0.00 34.95 32.00 1i4g s ARG 13 CO 0.30 -0.37 0.48 0.15 -2.50 0.00 0.00 175.30 173.36 1i4g s LYS 14 N -2.10 3.90 0.64 5.12 1.02 -1.26 -4.64 119.74 122.41 1i4g s LYS 14 Ca 0.54 0.38 0.40 0.00 0.02 0.00 0.00 55.97 57.31 1i4g s LYS 14 Cb -0.37 -3.01 2.19 0.00 -0.52 0.00 0.00 37.83 36.12 1i4g s LYS 14 CO 0.48 0.55 2.31 1.57 -0.92 0.00 0.00 175.35 179.34 1i4g h LYS 15 N 3.83 0.00 0.00 1.68 2.10 -1.15 -1.59 116.57 121.44 1i4g h LYS 15 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1i4g h LYS 15 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1i4g h LYS 15 CO 0.65 0.01 0.00 0.66 -2.00 0.00 0.00 179.45 178.77 1i4g h SER 16 N 0.00 0.00 1.02 7.07 4.64 -1.94 -1.41 113.55 122.92 1i4g h SER 16 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i4g h SER 16 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1i4g h SER 16 CO 0.00 0.00 -0.07 -0.62 -0.87 0.00 0.00 176.83 175.27 1i4g n GLU 17 N -2.80 0.05 -2.85 4.77 1.02 -0.60 -4.77 120.64 115.46 1i4g n GLU 17 Ca 0.01 0.04 -0.41 0.00 -0.02 0.00 0.00 57.16 56.78 1i4g n GLU 17 Cb 0.27 -1.55 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 1i4g n GLU 17 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1i4g s LEU 18 N -3.28 4.45 0.00 -4.62 1.43 -0.53 -5.06 118.68 111.06 1i4g s LEU 18 Ca 0.13 1.59 -0.05 0.00 -1.03 0.00 0.00 54.13 54.76 1i4g s LEU 18 Cb 0.18 -3.40 0.08 0.00 0.03 0.00 0.00 46.19 43.07 1i4g s LEU 18 CO 0.56 -0.07 0.48 0.00 0.23 0.00 0.00 176.35 177.56 1i4g n GLN 19 N 3.03 -0.38 0.00 1.70 10.64 -1.26 -4.90 117.38 126.21 1i4g n GLN 19 Ca 0.01 -0.79 0.00 0.00 -1.83 0.00 0.00 57.00 54.39 1i4g n GLN 19 Cb 0.50 -0.48 0.00 0.00 -0.86 0.00 0.00 30.24 29.40 1i4g n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1i4g n GLY 20 N 1.83 -1.82 0.25 2.61 0.00 -1.26 -3.27 105.19 103.52 1i4g n GLY 20 Ca 0.06 0.39 0.16 0.00 0.00 0.00 0.00 46.02 46.63 1i4g n GLY 20 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1i4g h THR 21 N 0.00 0.00 -0.36 2.61 1.35 -1.95 -3.30 112.91 111.26 1i4g h THR 21 Ca 0.00 -0.57 0.03 0.00 -0.55 0.00 0.00 66.41 65.32 1i4g h THR 21 Cb 0.00 1.54 -0.03 0.00 -1.73 0.00 0.00 68.15 67.93 1i4g h THR 21 CO 0.00 0.00 0.17 0.00 -0.25 0.00 0.00 175.52 175.44 1i4g h ALA 22 N 2.04 0.43 -0.55 6.62 0.00 -1.67 0.13 119.26 126.27 1i4g h ALA 22 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1i4g h ALA 22 Cb 0.59 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1i4g h ALA 22 CO 0.00 -0.20 0.25 1.25 0.00 0.00 0.00 179.25 180.55 1i4g h LEU 23 N 0.35 0.73 -0.54 0.00 5.85 -1.63 -0.98 115.31 119.09 1i4g h LEU 23 Ca 0.15 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1i4g h LEU 23 Cb 0.07 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1i4g h LEU 23 CO -0.11 0.67 0.17 1.23 -0.34 0.00 0.00 178.44 180.05 1i4g h GLY 24 N 0.74 0.90 2.00 3.75 0.00 -1.65 -2.15 103.07 106.66 1i4g h GLY 24 Ca 0.19 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 1i4g h GLY 24 CO -0.02 0.50 -0.28 3.43 0.00 0.00 0.00 176.54 180.17 1i4g h ASN 25 N 0.74 0.00 -0.43 0.19 2.35 -0.62 -0.69 115.58 117.12 1i4g h ASN 25 Ca 0.17 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.79 1i4g h ASN 25 Cb 0.28 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1i4g h ASN 25 CO -0.00 0.28 -0.25 -0.07 -1.65 0.00 0.00 177.43 175.73 1i4g h LEU 26 N 0.00 0.98 -0.82 1.61 3.38 -0.80 -0.20 115.31 119.47 1i4g h LEU 26 Ca -0.00 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 1i4g h LEU 26 Cb 0.58 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1i4g h LEU 26 CO 0.04 1.17 -0.22 0.50 0.09 0.00 0.00 178.44 180.02 1i4g h LYS 27 N 0.81 0.64 -0.00 1.13 3.64 -0.94 -1.32 116.57 120.53 1i4g h LYS 27 Ca 0.10 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1i4g h LYS 27 Cb 0.83 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1i4g h LYS 27 CO 0.07 0.81 0.00 0.37 -2.27 0.00 0.00 179.45 178.43 1i4g h GLN 28 N 0.56 0.00 0.32 1.90 5.75 -0.82 -0.78 115.11 122.04 1i4g h GLN 28 Ca 0.08 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.57 1i4g h GLN 28 Cb 0.69 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.24 1i4g h GLN 28 CO 0.05 0.08 -0.15 0.82 -2.65 0.00 0.00 178.83 176.98 1i4g h ILE 29 N -0.08 0.71 -0.00 2.39 2.04 -0.83 0.89 117.51 122.63 1i4g h ILE 29 Ca 0.00 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1i4g h ILE 29 Cb 0.08 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1i4g h ILE 29 CO -0.00 0.06 -0.15 -1.22 0.00 0.00 0.00 178.15 176.83 1i4g n TYR 30 N -5.21 0.00 0.03 1.37 4.02 -0.52 -4.35 117.16 112.51 1i4g n TYR 30 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 1i4g n TYR 30 Cb 0.23 -0.35 0.00 0.00 -0.02 0.00 0.00 39.34 39.20 1i4g n TYR 30 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 1i4g n TYR 31 N -1.36 -0.37 0.03 -0.72 9.36 -0.32 -3.97 117.16 119.82 1i4g n TYR 31 Ca 0.09 0.07 -0.22 0.00 3.32 0.00 0.00 57.90 61.16 1i4g n TYR 31 Cb 0.32 0.22 -0.14 0.00 -0.63 0.00 0.00 39.34 39.10 1i4g n TYR 31 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1i4g h TYR 32 N 0.00 0.52 -4.17 2.98 0.99 -1.24 -3.48 116.97 112.57 1i4g h TYR 32 Ca 0.00 -0.38 -0.54 0.00 2.00 0.00 0.00 58.73 59.81 1i4g h TYR 32 Cb 0.39 -0.02 0.15 0.00 1.00 0.00 0.00 36.73 38.25 1i4g h TYR 32 CO 0.00 1.55 0.40 -0.80 -0.00 0.00 0.00 178.16 179.31 1i4g s ASN 33 N -7.09 4.26 0.34 3.88 0.01 0.26 -5.04 114.94 111.56 1i4g s ASN 33 Ca -0.18 2.37 -0.06 0.00 -0.71 0.00 0.00 52.86 54.28 1i4g s ASN 33 Cb 0.04 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 39.06 1i4g s ASN 33 CO 0.80 -2.22 0.62 -1.61 -1.51 0.00 0.00 177.10 173.18 1i4g s GLU 34 N -3.86 3.64 0.06 -0.60 2.02 -1.26 -4.95 118.70 113.75 1i4g s GLU 34 Ca 0.75 0.10 0.04 0.00 0.02 0.00 0.00 54.97 55.87 1i4g s GLU 34 Cb -0.30 -2.57 -0.04 0.00 0.10 0.00 0.00 34.13 31.33 1i4g s GLU 34 CO 0.44 0.11 0.01 0.15 0.02 0.00 0.00 175.26 176.00 1i4g s LYS 35 N -3.80 2.65 0.02 1.61 1.02 -1.26 -4.58 119.74 115.41 1i4g s LYS 35 Ca 0.45 -0.76 -0.30 0.00 0.02 0.00 0.00 55.97 55.38 1i4g s LYS 35 Cb -0.10 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.57 1i4g s LYS 35 CO 0.32 0.57 1.11 0.00 -0.92 0.00 0.00 175.35 176.43 1i4g s ALA 36 N -1.25 3.31 -0.32 5.17 0.00 0.14 -4.92 121.76 123.88 1i4g s ALA 36 Ca 0.24 0.70 0.02 0.00 0.00 0.00 0.00 51.96 52.92 1i4g s ALA 36 Cb -0.12 -3.41 0.16 0.00 0.00 0.00 0.00 23.12 19.75 1i4g s ALA 36 CO 0.16 -0.39 0.39 0.21 0.00 0.00 0.00 175.76 176.14 1i4g s LYS 37 N 1.17 0.50 0.05 0.00 2.20 -1.26 -1.21 119.74 121.19 1i4g s LYS 37 Ca 0.56 -0.26 0.02 0.00 -0.36 0.00 0.00 55.97 55.93 1i4g s LYS 37 Cb -0.25 -0.47 -0.03 0.00 -1.51 0.00 0.00 37.83 35.56 1i4g s LYS 37 CO 0.28 -1.10 -0.08 0.99 -0.36 0.00 0.00 175.35 175.08 1i4g s THR 38 N 2.11 0.62 0.02 3.43 2.01 -0.55 -5.00 115.64 118.28 1i4g s THR 38 Ca 0.12 -1.24 0.05 0.00 0.31 0.00 0.00 61.69 60.94 1i4g s THR 38 Cb -0.13 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 1i4g s THR 38 CO -0.21 -0.45 -0.12 -1.61 -0.69 0.00 0.00 174.62 171.54 1i4g s GLU 39 N -1.95 2.32 -0.98 4.92 0.41 -1.26 -1.12 118.70 121.03 1i4g s GLU 39 Ca -0.06 -0.85 -0.04 0.00 -0.41 0.00 0.00 54.97 53.61 1i4g s GLU 39 Cb -0.08 -2.34 -0.05 0.00 -1.78 0.00 0.00 34.13 29.88 1i4g s GLU 39 CO -0.00 0.57 0.85 -1.71 -0.49 0.00 0.00 175.26 174.47 1i4g n ASN 40 N 1.57 -5.22 -4.59 -0.19 5.15 -1.06 -4.98 115.26 105.95 1i4g n ASN 40 Ca -0.16 -0.62 -0.25 0.00 -0.60 0.00 0.00 54.58 52.96 1i4g n ASN 40 Cb 0.52 -4.73 -0.08 0.00 -0.53 0.00 0.00 39.78 34.96 1i4g n ASN 40 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1i4g s LYS 41 N -4.48 2.13 0.00 1.20 -0.14 -0.20 -4.88 119.74 113.37 1i4g s LYS 41 Ca 0.32 -1.38 -0.12 0.00 -1.36 0.00 0.00 55.97 53.42 1i4g s LYS 41 Cb -0.04 -2.12 0.02 0.00 -1.68 0.00 0.00 37.83 34.00 1i4g s LYS 41 CO 0.66 0.39 0.26 -1.83 -0.76 0.00 0.00 175.35 174.08 1i4g s GLU 42 N -3.27 0.65 -0.22 1.68 -1.05 -1.26 0.02 118.70 115.24 1i4g s GLU 42 Ca 0.28 -0.32 -0.27 0.00 -0.15 0.00 0.00 54.97 54.51 1i4g s GLU 42 Cb -0.07 0.28 0.12 0.00 -0.44 0.00 0.00 34.13 34.02 1i4g s GLU 42 CO 0.17 -0.18 0.99 0.45 0.95 0.00 0.00 175.26 177.64 1i4g s SER 43 N -1.51 -0.44 0.00 0.83 0.15 -1.26 -5.00 113.70 106.48 1i4g s SER 43 Ca -0.12 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.21 1i4g s SER 43 Cb -0.05 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1i4g s SER 43 CO 0.02 -0.26 0.57 0.00 1.20 0.00 0.00 173.24 174.77 1i4g n HIS 44 N 1.55 0.00 -2.23 3.44 1.44 -1.26 0.78 115.22 118.93 1i4g n HIS 44 Ca -0.12 -0.11 -0.37 0.00 -2.01 0.00 0.00 57.72 55.11 1i4g n HIS 44 Cb 0.57 -0.01 -0.01 0.00 0.12 0.00 0.00 29.99 30.66 1i4g n HIS 44 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1i4g s ASP 45 N -0.22 6.09 0.05 4.39 1.01 -1.26 -4.89 116.67 121.84 1i4g s ASP 45 Ca 0.00 2.32 -0.03 0.00 0.71 0.00 0.00 52.55 55.55 1i4g s ASP 45 Cb 0.00 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 1i4g s ASP 45 CO 0.00 -0.97 0.04 -1.10 0.21 0.00 0.00 175.17 173.34 1i4g s GLN 46 N -2.75 0.63 0.00 8.23 -0.21 -1.26 -1.15 119.66 123.14 1i4g s GLN 46 Ca 0.65 -1.02 0.00 0.00 0.02 0.00 0.00 55.36 55.00 1i4g s GLN 46 Cb -0.29 0.23 0.00 0.00 1.00 0.00 0.00 33.01 33.95 1i4g s GLN 46 CO 0.35 -0.14 0.00 0.34 -2.12 0.00 0.00 175.29 173.71 1i4g n PHE 47 N 0.33 0.00 -2.80 0.91 7.35 -1.26 -4.77 117.46 117.22 1i4g n PHE 47 Ca -0.16 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.29 1i4g n PHE 47 Cb 0.60 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.45 1i4g n PHE 47 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1i4g s LEU 48 N -1.44 3.53 0.00 -2.13 1.43 -1.26 -4.98 118.68 113.82 1i4g s LEU 48 Ca 0.00 0.42 0.14 0.00 -1.03 0.00 0.00 54.13 53.66 1i4g s LEU 48 Cb 0.00 -3.29 0.69 0.00 0.03 0.00 0.00 46.19 43.62 1i4g s LEU 48 CO 0.00 -0.80 1.39 0.00 0.23 0.00 0.00 176.35 177.17 1i4g n GLN 49 N -2.23 0.17 -0.45 1.70 10.64 -1.26 -2.04 117.38 123.92 1i4g n GLN 49 Ca 0.02 0.17 0.08 0.00 -1.83 0.00 0.00 57.00 55.44 1i4g n GLN 49 Cb 0.58 -1.50 0.27 0.00 -0.86 0.00 0.00 30.24 28.72 1i4g n GLN 49 CO 0.00 0.00 0.00 -2.39 -1.83 0.00 0.00 177.06 172.84 1i4g n HIS 50 N -1.32 1.04 -4.47 2.61 1.44 -1.26 -4.08 115.22 109.18 1i4g n HIS 50 Ca 0.06 -0.67 -0.23 0.00 -2.01 0.00 0.00 57.72 54.87 1i4g n HIS 50 Cb 0.12 -0.22 -0.11 0.00 0.12 0.00 0.00 29.99 29.91 1i4g n HIS 50 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1i4g s THR 51 N -1.97 1.60 -0.04 0.61 -4.23 -0.86 -0.24 115.64 110.51 1i4g s THR 51 Ca 0.40 -2.08 0.01 0.00 -1.18 0.00 0.00 61.69 58.85 1i4g s THR 51 Cb 0.28 -2.64 0.02 0.00 1.34 0.00 0.00 72.50 71.51 1i4g s THR 51 CO 0.17 -0.17 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.42 1i4g s ILE 52 N -3.03 0.39 -0.27 2.99 1.01 -0.59 -4.42 121.20 117.29 1i4g s ILE 52 Ca 0.32 -0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.83 1i4g s ILE 52 Cb 0.06 -0.45 -0.05 0.00 0.01 0.00 0.00 42.46 42.04 1i4g s ILE 52 CO 0.14 0.19 0.17 -0.22 0.00 0.00 0.00 174.94 175.22 1i4g s LEU 53 N 0.94 3.97 -0.60 2.97 2.96 -0.30 -1.28 118.68 127.34 1i4g s LEU 53 Ca -0.11 -0.01 -0.14 0.00 -0.22 0.00 0.00 54.13 53.64 1i4g s LEU 53 Cb -0.14 -2.10 0.15 0.00 0.50 0.00 0.00 46.19 44.60 1i4g s LEU 53 CO -0.01 -0.03 0.54 -0.36 -1.32 0.00 0.00 176.35 175.17 1i4g s PHE 54 N 1.63 3.39 0.27 5.38 0.40 0.97 -4.36 117.98 125.66 1i4g s PHE 54 Ca 0.07 -1.56 -0.29 0.00 -0.60 0.00 0.00 56.93 54.55 1i4g s PHE 54 Cb -0.16 -3.75 -0.09 0.00 0.51 0.00 0.00 43.02 39.53 1i4g s PHE 54 CO 0.09 -1.01 1.22 0.15 0.70 0.00 0.00 175.22 176.38 1i4g s LYS 55 N 1.21 4.48 -1.54 0.44 1.02 -1.26 -1.52 119.74 122.57 1i4g s LYS 55 Ca 0.07 1.99 -0.01 0.00 0.02 0.00 0.00 55.97 58.04 1i4g s LYS 55 Cb -0.25 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 1i4g s LYS 55 CO -0.00 -0.05 0.20 0.41 -0.92 0.00 0.00 175.35 174.98 1i4g n GLY 56 N 1.46 -0.40 0.29 -3.33 0.00 -1.15 -4.92 105.19 97.13 1i4g n GLY 56 Ca 0.01 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 1i4g n GLY 56 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1i4g h PHE 57 N -0.45 0.97 -3.22 1.61 3.57 -0.73 -3.42 116.94 115.27 1i4g h PHE 57 Ca -0.46 -0.02 -0.59 0.00 3.53 0.00 0.00 57.97 60.42 1i4g h PHE 57 Cb 1.33 -0.31 -0.09 0.00 2.79 0.00 0.00 35.95 39.67 1i4g h PHE 57 CO 0.49 0.69 -0.27 -0.06 -2.23 0.00 0.00 178.31 176.92 1i4g s PHE 58 N -5.84 3.52 -0.04 0.41 0.40 -0.91 -4.98 117.98 110.55 1i4g s PHE 58 Ca -0.13 0.72 0.08 0.00 -0.60 0.00 0.00 56.93 57.00 1i4g s PHE 58 Cb 0.14 -2.36 -0.11 0.00 0.51 0.00 0.00 43.02 41.20 1i4g s PHE 58 CO 0.79 0.32 0.18 0.25 0.70 0.00 0.00 175.22 177.46 1i4g n THR 59 N 3.22 0.00 0.19 0.64 -2.24 -1.26 -4.61 114.28 110.22 1i4g n THR 59 Ca -0.12 -0.19 0.02 0.00 -2.27 0.00 0.00 64.05 61.50 1i4g n THR 59 Cb 0.52 0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 69.12 1i4g n THR 59 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1i4g n ASP 60 N -1.71 0.50 -4.76 3.42 8.00 -1.26 -5.03 116.55 115.70 1i4g n ASP 60 Ca -0.01 -0.75 -0.41 0.00 0.71 0.00 0.00 54.79 54.33 1i4g n ASP 60 Cb 0.19 0.73 -0.02 0.00 -0.02 0.00 0.00 41.12 42.00 1i4g n ASP 60 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1i4g s HIS 61 N -1.11 3.01 -0.00 1.24 2.46 -1.26 -4.96 115.29 114.66 1i4g s HIS 61 Ca 0.03 1.30 -0.02 0.00 0.47 0.00 0.00 55.06 56.83 1i4g s HIS 61 Cb 0.03 -3.74 -0.01 0.00 -0.13 0.00 0.00 32.58 28.73 1i4g s HIS 61 CO 0.13 -2.14 0.43 0.66 -2.47 0.00 0.00 174.74 171.35 1i4g h SER 62 N 3.81 -0.06 -0.11 9.88 4.64 -1.98 -3.39 113.55 126.33 1i4g h SER 62 Ca -0.48 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.79 1i4g h SER 62 Cb 1.22 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1i4g h SER 62 CO 0.69 -0.00 -0.13 -0.50 -0.87 0.00 0.00 176.83 176.01 1i4g h TRP 63 N -0.14 0.35 -3.32 4.77 4.06 -1.97 -3.47 115.95 116.22 1i4g h TRP 63 Ca -0.01 -0.11 -0.49 0.00 2.06 0.00 0.00 58.89 60.34 1i4g h TRP 63 Cb 0.05 -0.07 0.02 0.00 -1.00 0.00 0.00 29.16 28.16 1i4g h TRP 63 CO 0.08 0.72 -0.00 0.71 -3.56 0.00 0.00 178.44 176.39 1i4g s TYR 64 N -4.22 3.53 0.09 0.49 1.51 -1.26 -4.65 117.35 112.84 1i4g s TYR 64 Ca -0.14 0.68 0.00 0.00 -1.01 0.00 0.00 57.07 56.60 1i4g s TYR 64 Cb 0.04 -2.18 0.00 0.00 -0.11 0.00 0.00 41.96 39.72 1i4g s TYR 64 CO 0.74 -0.10 0.00 0.09 -1.11 0.00 0.00 175.55 175.17 1i4g n ASN 65 N -1.89 0.19 -4.82 2.29 3.02 0.57 -4.49 115.26 110.13 1i4g n ASN 65 Ca -0.01 0.14 -0.25 0.00 -0.03 0.00 0.00 54.58 54.43 1i4g n ASN 65 Cb 0.55 0.03 -0.05 0.00 -0.61 0.00 0.00 39.78 39.70 1i4g n ASN 65 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1i4g s ASP 66 N -5.21 5.58 -0.11 6.41 -0.00 -0.68 -0.43 116.67 122.24 1i4g s ASP 66 Ca 0.00 -0.14 0.01 0.00 -0.00 0.00 0.00 52.55 52.42 1i4g s ASP 66 Cb 0.00 -1.47 0.02 0.00 -0.00 0.00 0.00 42.92 41.47 1i4g s ASP 66 CO 0.00 0.03 -0.15 -0.22 -0.00 0.00 0.00 175.17 174.84 1i4g s LEU 67 N -3.34 1.70 -0.26 1.23 2.96 -0.58 -0.87 118.68 119.53 1i4g s LEU 67 Ca 0.32 -0.43 -0.07 0.00 -0.22 0.00 0.00 54.13 53.73 1i4g s LEU 67 Cb -0.09 -1.09 -0.02 0.00 0.50 0.00 0.00 46.19 45.48 1i4g s LEU 67 CO 0.24 0.00 0.06 -0.22 -1.32 0.00 0.00 176.35 175.11 1i4g s LEU 68 N 1.07 3.47 -0.21 -0.68 2.96 0.14 -0.02 118.68 125.41 1i4g s LEU 68 Ca -0.05 -0.35 -0.09 0.00 -0.22 0.00 0.00 54.13 53.43 1i4g s LEU 68 Cb -0.15 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 1i4g s LEU 68 CO -0.03 -0.07 0.10 -0.69 -1.32 0.00 0.00 176.35 174.34 1i4g s VAL 69 N 1.57 4.97 -0.22 1.68 1.01 -0.40 -1.43 120.40 127.58 1i4g s VAL 69 Ca 0.05 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.96 1i4g s VAL 69 Cb -0.15 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1i4g s VAL 69 CO 0.02 0.40 0.19 -0.62 0.00 0.00 0.00 175.10 175.10 1i4g s ASP 70 N 0.77 6.21 0.39 3.32 2.15 0.26 -1.54 116.67 128.24 1i4g s ASP 70 Ca 0.05 0.24 0.08 0.00 0.43 0.00 0.00 52.55 53.34 1i4g s ASP 70 Cb -0.13 -2.12 -0.06 0.00 -0.30 0.00 0.00 42.92 40.31 1i4g s ASP 70 CO 0.02 0.08 0.11 -0.36 -0.17 0.00 0.00 175.17 174.85 1i4g s PHE 71 N 0.82 2.58 0.42 -5.34 0.40 0.67 -1.12 117.98 116.42 1i4g s PHE 71 Ca 0.10 -0.56 0.12 0.00 -0.60 0.00 0.00 56.93 55.99 1i4g s PHE 71 Cb -0.13 -1.80 0.92 0.00 0.51 0.00 0.00 43.02 42.52 1i4g s PHE 71 CO 0.03 0.31 1.97 -0.44 0.70 0.00 0.00 175.22 177.80 1i4g h ASP 72 N 1.59 0.13 -5.08 1.36 3.45 -1.55 -3.45 116.42 112.87 1i4g h ASP 72 Ca -0.43 -0.02 0.04 0.00 0.43 0.00 0.00 57.03 57.04 1i4g h ASP 72 Cb 1.25 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.97 1i4g h ASP 72 CO 0.71 0.27 0.32 -0.94 -1.57 0.00 0.00 179.24 178.03 1i4g s SER 73 N -6.93 -0.05 0.40 6.45 1.04 -1.26 -5.02 113.70 108.33 1i4g s SER 73 Ca -0.05 -0.94 0.12 0.00 0.48 0.00 0.00 55.95 55.57 1i4g s SER 73 Cb 0.16 0.76 0.84 0.00 0.10 0.00 0.00 66.02 67.87 1i4g s SER 73 CO 0.71 -1.48 1.91 0.50 0.98 0.00 0.00 173.24 175.86 1i4g h LYS 74 N 2.00 0.06 -0.70 4.02 1.63 -1.90 -2.91 116.57 118.77 1i4g h LYS 74 Ca -0.29 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.47 1i4g h LYS 74 Cb 1.24 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.83 1i4g h LYS 74 CO 0.36 0.31 0.32 -0.44 -3.45 0.00 0.00 179.45 176.55 1i4g h ASP 75 N 0.06 0.94 -0.29 4.20 3.32 -1.95 -0.97 116.42 121.73 1i4g h ASP 75 Ca 0.01 -0.15 -0.18 0.00 0.02 0.00 0.00 57.03 56.74 1i4g h ASP 75 Cb 0.47 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1i4g h ASP 75 CO 0.03 0.82 -0.51 0.40 -1.72 0.00 0.00 179.24 178.26 1i4g h ILE 76 N 0.99 1.28 -0.76 0.35 2.04 -1.93 -3.14 117.51 116.32 1i4g h ILE 76 Ca 0.24 -1.70 0.07 0.00 1.00 0.00 0.00 64.86 64.47 1i4g h ILE 76 Cb 0.15 1.62 -0.06 0.00 -0.74 0.00 0.00 36.82 37.79 1i4g h ILE 76 CO -0.03 0.55 0.45 0.58 0.00 0.00 0.00 178.15 179.70 1i4g h VAL 77 N 0.65 0.98 0.00 1.67 2.07 -1.28 -1.35 116.25 118.99 1i4g h VAL 77 Ca 0.02 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1i4g h VAL 77 Cb 1.12 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1i4g h VAL 77 CO 0.12 0.15 -0.00 0.44 0.02 0.00 0.00 177.57 178.29 1i4g h ASP 78 N 0.80 0.00 1.67 0.57 3.45 -1.14 0.15 116.42 121.92 1i4g h ASP 78 Ca 0.35 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.79 1i4g h ASP 78 Cb 0.22 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.99 1i4g h ASP 78 CO -0.19 0.00 -0.09 0.11 -1.57 0.00 0.00 179.24 177.50 1i4g h LYS 79 N 0.00 0.00 0.00 3.56 1.57 -1.26 -3.36 116.57 117.07 1i4g h LYS 79 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1i4g h LYS 79 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1i4g h LYS 79 CO 0.00 0.09 -1.35 0.66 -0.57 0.00 0.00 179.45 178.28 1i4g n TYR 80 N -3.14 0.00 -1.65 -1.35 4.02 -0.46 -4.89 117.16 109.69 1i4g n TYR 80 Ca 0.03 0.00 -0.51 0.00 -0.01 0.00 0.00 57.90 57.41 1i4g n TYR 80 Cb 0.51 -0.23 -0.06 0.00 -0.02 0.00 0.00 39.34 39.54 1i4g n TYR 80 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1i4g n LYS 81 N -2.05 1.58 -0.27 -0.72 4.81 0.39 -1.65 118.16 120.25 1i4g n LYS 81 Ca -0.07 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1i4g n LYS 81 Cb 0.52 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.28 1i4g n LYS 81 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i4g n GLY 82 N 3.42 1.84 3.95 3.14 0.00 0.23 -4.92 105.19 112.85 1i4g n GLY 82 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1i4g n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i4g s LYS 83 N -0.07 3.00 -0.21 1.61 -0.14 -0.66 -4.81 119.74 118.46 1i4g s LYS 83 Ca 0.00 -0.48 -0.24 0.00 -1.36 0.00 0.00 55.97 53.89 1i4g s LYS 83 Cb 0.00 -2.53 -0.01 0.00 -1.68 0.00 0.00 37.83 33.61 1i4g s LYS 83 CO 0.00 -0.35 0.79 0.21 -0.76 0.00 0.00 175.35 175.23 1i4g s LYS 84 N -4.61 4.23 0.28 1.68 2.47 -1.26 -4.25 119.74 118.27 1i4g s LYS 84 Ca 0.50 0.90 0.04 0.00 -1.56 0.00 0.00 55.97 55.85 1i4g s LYS 84 Cb -0.10 -3.61 -0.06 0.00 -1.46 0.00 0.00 37.83 32.61 1i4g s LYS 84 CO 0.39 -0.39 0.01 0.14 0.16 0.00 0.00 175.35 175.65 1i4g s VAL 85 N 2.39 1.23 0.07 4.02 -7.23 0.10 -0.47 120.40 120.52 1i4g s VAL 85 Ca 0.35 -2.04 0.09 0.00 -1.81 0.00 0.00 61.98 58.56 1i4g s VAL 85 Cb -0.16 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 1i4g s VAL 85 CO 0.10 -0.20 -0.22 -1.81 -0.31 0.00 0.00 175.10 172.66 1i4g s ASP 86 N -3.40 3.54 0.05 4.85 1.01 0.40 -1.03 116.67 122.08 1i4g s ASP 86 Ca 0.32 -0.56 0.07 0.00 0.71 0.00 0.00 52.55 53.09 1i4g s ASP 86 Cb 0.06 -0.43 -0.03 0.00 1.01 0.00 0.00 42.92 43.53 1i4g s ASP 86 CO 0.12 0.23 -0.19 -0.76 0.21 0.00 0.00 175.17 174.78 1i4g s LEU 87 N -1.61 2.19 -0.30 1.23 1.02 -0.28 -1.43 118.68 119.51 1i4g s LEU 87 Ca 0.14 -0.53 -0.00 0.00 0.02 0.00 0.00 54.13 53.75 1i4g s LEU 87 Cb -0.10 -0.85 0.19 0.00 0.02 0.00 0.00 46.19 45.45 1i4g s LEU 87 CO 0.05 0.10 0.60 -0.47 0.02 0.00 0.00 176.35 176.65 1i4g s TYR 88 N -0.88 -1.63 0.02 0.29 6.04 -0.76 -1.49 117.35 118.95 1i4g s TYR 88 Ca 0.05 1.66 -0.28 0.00 0.04 0.00 0.00 57.07 58.54 1i4g s TYR 88 Cb -0.09 0.55 0.10 0.00 -1.04 0.00 0.00 41.96 41.48 1i4g s TYR 88 CO 0.02 -0.90 1.24 0.20 -1.54 0.00 0.00 175.55 174.57 1i4g s GLY 89 N 2.86 -0.25 -0.08 8.97 0.00 -0.35 -4.42 107.32 114.04 1i4g s GLY 89 Ca 0.20 0.33 -0.10 0.00 0.00 0.00 0.00 44.72 45.15 1i4g s GLY 89 CO -0.21 2.05 0.24 0.00 0.00 0.00 0.00 173.10 175.18 1i4g s ALA 90 N -2.34 3.80 0.24 3.20 0.00 -1.26 -0.68 121.76 124.72 1i4g s ALA 90 Ca 0.20 -0.48 0.11 0.00 0.00 0.00 0.00 51.96 51.79 1i4g s ALA 90 Cb 0.02 -2.14 -0.05 0.00 0.00 0.00 0.00 23.12 20.95 1i4g s ALA 90 CO -0.01 0.55 -0.20 1.52 0.00 0.00 0.00 175.76 177.62 1i4g s TYR 91 N -1.00 2.16 0.08 0.00 1.13 -1.26 -4.38 117.35 114.08 1i4g s TYR 91 Ca 0.18 -0.38 0.01 0.00 -1.41 0.00 0.00 57.07 55.47 1i4g s TYR 91 Cb -0.14 -0.99 -0.04 0.00 -1.10 0.00 0.00 41.96 39.69 1i4g s TYR 91 CO 0.07 0.57 -0.06 1.52 -2.51 0.00 0.00 175.55 175.15 1i4g s TYR 92 N -2.31 0.80 -0.15 -3.49 -0.85 -0.28 -4.93 117.35 106.15 1i4g s TYR 92 Ca 0.25 -0.91 0.08 0.00 -0.52 0.00 0.00 57.07 55.98 1i4g s TYR 92 Cb -0.05 -0.48 -0.11 0.00 0.38 0.00 0.00 41.96 41.70 1i4g s TYR 92 CO 0.12 -0.19 0.24 0.41 -1.52 0.00 0.00 175.55 174.61 1i4g n GLY 93 N 0.12 -0.14 3.70 5.49 0.00 -1.26 -0.74 105.19 112.36 1i4g n GLY 93 Ca -0.13 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1i4g n GLY 93 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1i4g s TYR 94 N -2.26 3.33 -1.51 1.61 5.04 -1.26 -2.95 117.35 119.36 1i4g s TYR 94 Ca -0.01 1.29 0.00 0.00 -2.44 0.00 0.00 57.07 55.91 1i4g s TYR 94 Cb 0.06 -3.40 0.00 0.00 0.35 0.00 0.00 41.96 38.97 1i4g s TYR 94 CO 0.33 -1.19 0.00 1.04 -1.34 0.00 0.00 175.55 174.39 1i4g n GLN 95 N 4.55 -1.03 -4.14 4.97 1.13 -1.26 -4.66 117.38 116.93 1i4g n GLN 95 Ca 0.10 1.00 -0.36 0.00 -1.94 0.00 0.00 57.00 55.80 1i4g n GLN 95 Cb 0.47 -5.11 -0.08 0.00 0.11 0.00 0.00 30.24 25.62 1i4g n GLN 95 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i4g s ALA 97 N -0.97 -1.82 0.00 0.00 0.00 -1.26 -4.89 121.76 112.81 1i4g s ALA 97 Ca 0.15 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1i4g s ALA 97 Cb -0.12 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1i4g s ALA 97 CO 0.04 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.64 1i4g n GLY 98 N 0.11 0.57 0.00 0.00 0.00 -1.26 -5.04 105.19 99.57 1i4g n GLY 98 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1i4g n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i4g n GLY 99 N 0.00 4.35 3.70 -0.02 0.00 -1.26 -4.87 105.19 107.08 1i4g n GLY 99 Ca 0.00 -1.13 -0.55 0.00 0.00 0.00 0.00 46.02 44.34 1i4g n GLY 99 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1i4g n THR 100 N 0.00 0.35 -1.67 2.61 -1.04 -1.26 -4.83 114.28 108.43 1i4g n THR 100 Ca 0.00 -0.06 -0.46 0.00 -2.04 0.00 0.00 64.05 61.49 1i4g n THR 100 Cb 0.00 -1.35 -0.04 0.00 -1.82 0.00 0.00 70.33 67.12 1i4g n THR 100 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1i4g n PRO 101 N 5.50 2.19 -0.48 -2.82 -0.04 -1.26 -2.15 135.00 135.95 1i4g n PRO 101 Ca 0.25 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.50 1i4g n PRO 101 Cb 0.17 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 1i4g n PRO 101 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1i4g n ASN 102 N 3.36 0.00 -1.61 3.54 4.13 -1.26 -4.79 115.26 118.63 1i4g n ASN 102 Ca 0.16 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.38 1i4g n ASN 102 Cb 0.29 -0.91 0.09 0.00 -1.54 0.00 0.00 39.78 37.71 1i4g n ASN 102 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1i4g n LYS 103 N -2.00 1.97 -4.80 3.52 5.02 -0.91 -4.90 118.16 116.05 1i4g n LYS 103 Ca 0.00 -3.38 -0.33 0.00 -2.02 0.00 0.00 58.31 52.58 1i4g n LYS 103 Cb 0.00 -1.53 -0.14 0.00 -0.02 0.00 0.00 35.03 33.34 1i4g n LYS 103 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1i4g s THR 104 N -3.18 3.05 0.06 -0.18 2.01 -1.21 -0.31 115.64 115.87 1i4g s THR 104 Ca 0.39 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.78 1i4g s THR 104 Cb 0.38 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 1i4g s THR 104 CO -0.05 0.54 -0.11 0.00 -0.69 0.00 0.00 174.62 174.31 1i4g s ALA 105 N 0.13 2.90 0.16 7.40 0.00 -0.05 -4.72 121.76 127.57 1i4g s ALA 105 Ca -0.07 -1.17 0.08 0.00 0.00 0.00 0.00 51.96 50.80 1i4g s ALA 105 Cb -0.15 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 1i4g s ALA 105 CO 0.05 0.62 -0.08 0.00 0.00 0.00 0.00 175.76 176.35 1i4g s MET 107 N -2.68 0.56 -0.28 0.00 0.00 -0.52 -1.12 119.30 115.27 1i4g s MET 107 Ca 0.24 -0.26 -0.08 0.00 0.00 0.00 0.00 55.69 55.59 1i4g s MET 107 Cb -0.09 0.24 -0.02 0.00 0.00 0.00 0.00 34.83 34.96 1i4g s MET 107 CO 0.15 -0.14 0.11 0.71 0.00 0.00 0.00 175.02 175.85 1i4g s TYR 108 N -1.27 3.13 0.00 4.11 1.51 -1.26 -0.57 117.35 123.00 1i4g s TYR 108 Ca -0.13 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.41 1i4g s TYR 108 Cb -0.06 -2.29 0.00 0.00 -0.11 0.00 0.00 41.96 39.50 1i4g s TYR 108 CO 0.03 -0.41 0.00 0.41 -1.11 0.00 0.00 175.55 174.47 1i4g n GLY 109 N 4.95 2.70 2.17 0.71 0.00 -0.27 -4.39 105.19 111.05 1i4g n GLY 109 Ca -0.15 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 1i4g n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i4g n GLY 110 N 0.00 0.08 3.08 -0.02 0.00 -1.26 -4.86 105.19 102.22 1i4g n GLY 110 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 1i4g n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i4g s VAL 111 N -2.42 1.67 0.15 1.61 1.01 -1.26 -1.82 120.40 119.34 1i4g s VAL 111 Ca 0.00 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.32 1i4g s VAL 111 Cb 0.00 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1i4g s VAL 111 CO 0.00 0.47 -0.18 0.42 0.00 0.00 0.00 175.10 175.82 1i4g s THR 112 N 1.01 1.73 0.20 3.92 -4.23 -0.51 -4.97 115.64 112.79 1i4g s THR 112 Ca -0.05 -1.86 -0.30 0.00 -1.18 0.00 0.00 61.69 58.30 1i4g s THR 112 Cb -0.15 -1.77 -0.09 0.00 1.34 0.00 0.00 72.50 71.83 1i4g s THR 112 CO -0.03 -0.31 1.42 -0.76 -0.54 0.00 0.00 174.62 174.40 1i4g s LEU 113 N -2.57 4.39 -0.02 4.79 1.43 -1.26 -0.45 118.68 124.98 1i4g s LEU 113 Ca 0.14 2.54 -0.25 0.00 -1.03 0.00 0.00 54.13 55.52 1i4g s LEU 113 Cb -0.06 -3.61 -0.20 0.00 0.03 0.00 0.00 46.19 42.35 1i4g s LEU 113 CO 0.06 -0.67 1.27 -0.74 0.23 0.00 0.00 176.35 176.50 1i4g h HIS 114 N 5.70 0.04 -2.30 0.29 -0.00 -1.04 -3.43 115.15 114.41 1i4g h HIS 114 Ca -0.44 -0.01 -0.57 0.00 -0.00 0.00 0.00 60.37 59.34 1i4g h HIS 114 Cb 1.21 -0.01 0.04 0.00 -0.00 0.00 0.00 27.41 28.66 1i4g h HIS 114 CO 0.62 0.51 1.00 -0.25 -0.00 0.00 0.00 177.93 179.81 1i4g n ASP 115 N -4.83 3.56 -3.54 3.26 10.43 -1.26 -2.86 116.55 121.31 1i4g n ASP 115 Ca -0.08 1.02 -0.25 0.00 2.57 0.00 0.00 54.79 58.05 1i4g n ASP 115 Cb 0.26 -1.46 0.06 0.00 1.84 0.00 0.00 41.12 41.82 1i4g n ASP 115 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1i4g n ASN 116 N 5.10 -6.01 -0.14 -2.24 3.02 -1.26 -4.91 115.26 108.82 1i4g n ASN 116 Ca 0.19 -0.53 0.02 0.00 -0.03 0.00 0.00 54.58 54.23 1i4g n ASN 116 Cb 0.32 -4.76 0.01 0.00 -0.61 0.00 0.00 39.78 34.74 1i4g n ASN 116 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1i4g n ASN 117 N -2.87 1.21 -4.72 6.41 5.15 -1.14 -4.94 115.26 114.37 1i4g n ASN 117 Ca -0.01 -1.11 -0.42 0.00 -0.60 0.00 0.00 54.58 52.45 1i4g n ASN 117 Cb 0.56 0.09 -0.03 0.00 -0.53 0.00 0.00 39.78 39.87 1i4g n ASN 117 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1i4g s ARG 118 N -0.41 4.52 0.08 1.20 1.81 -1.26 -0.83 118.95 124.07 1i4g s ARG 118 Ca 0.04 1.62 -0.07 0.00 -1.72 0.00 0.00 55.73 55.60 1i4g s ARG 118 Cb 0.03 -3.38 -0.05 0.00 -0.45 0.00 0.00 34.95 31.10 1i4g s ARG 118 CO 0.06 -0.10 0.36 -0.51 -0.68 0.00 0.00 175.30 174.42 1i4g s LEU 119 N 0.76 4.32 0.19 2.53 1.43 -0.19 -4.87 118.68 122.86 1i4g s LEU 119 Ca 0.54 0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 54.18 1i4g s LEU 119 Cb -0.26 -3.03 0.21 0.00 0.03 0.00 0.00 46.19 43.15 1i4g s LEU 119 CO 0.30 0.15 1.75 0.74 0.23 0.00 0.00 176.35 179.52 1i4g h THR 120 N 2.60 0.82 -4.19 5.49 2.02 -1.97 -3.42 112.91 114.27 1i4g h THR 120 Ca -0.48 -0.14 -0.60 0.00 0.77 0.00 0.00 66.41 65.96 1i4g h THR 120 Cb 1.18 0.39 -0.26 0.00 -1.74 0.00 0.00 68.15 67.72 1i4g h THR 120 CO 0.69 0.07 -0.85 -1.61 0.37 0.00 0.00 175.52 174.19 1i4g s GLU 121 N -6.11 1.46 0.16 6.66 2.02 -1.26 -5.11 118.70 116.51 1i4g s GLU 121 Ca -0.13 -0.98 -0.34 0.00 0.02 0.00 0.00 54.97 53.54 1i4g s GLU 121 Cb 0.16 -1.59 -0.15 0.00 0.10 0.00 0.00 34.13 32.64 1i4g s GLU 121 CO 0.74 0.41 1.29 -1.91 0.02 0.00 0.00 175.26 175.80 1i4g n GLU 122 N 1.81 1.37 -3.51 1.61 2.13 -1.26 -4.89 120.64 117.91 1i4g n GLU 122 Ca -0.17 0.49 -0.37 0.00 0.66 0.00 0.00 57.16 57.77 1i4g n GLU 122 Cb 0.53 -2.08 -0.07 0.00 0.27 0.00 0.00 31.44 30.09 1i4g n GLU 122 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1i4g s LYS 123 N -0.02 4.23 -0.41 5.31 2.47 0.73 -4.91 119.74 127.14 1i4g s LYS 123 Ca 0.76 0.10 -0.16 0.00 -1.56 0.00 0.00 55.97 55.11 1i4g s LYS 123 Cb -0.84 -3.46 0.02 0.00 -1.46 0.00 0.00 37.83 32.10 1i4g s LYS 123 CO 0.49 0.16 0.34 0.15 0.16 0.00 0.00 175.35 176.66 1i4g s LYS 124 N 0.69 3.01 -0.36 4.03 1.02 -1.26 -1.08 119.74 125.80 1i4g s LYS 124 Ca 0.17 -0.93 -0.29 0.00 0.02 0.00 0.00 55.97 54.93 1i4g s LYS 124 Cb -0.13 -3.97 0.01 0.00 -0.52 0.00 0.00 37.83 33.21 1i4g s LYS 124 CO 0.05 -0.78 1.23 0.08 -0.92 0.00 0.00 175.35 175.00 1i4g s VAL 125 N 1.83 4.21 0.16 3.17 1.01 -0.44 -5.01 120.40 125.33 1i4g s VAL 125 Ca 0.07 1.33 -0.31 0.00 0.00 0.00 0.00 61.98 63.07 1i4g s VAL 125 Cb -0.18 -4.32 -0.11 0.00 0.00 0.00 0.00 36.38 31.77 1i4g s VAL 125 CO 0.11 -0.63 1.68 -2.84 0.00 0.00 0.00 175.10 173.42 1i4g s PRO 126 N 4.21 4.17 -0.15 2.72 0.02 -1.26 -4.55 135.00 140.15 1i4g s PRO 126 Ca 0.53 2.49 -0.02 0.00 0.02 0.00 0.00 61.00 64.01 1i4g s PRO 126 Cb -0.13 -3.27 -0.02 0.00 0.02 0.00 0.00 34.50 31.10 1i4g s PRO 126 CO 0.24 -0.72 -0.09 0.42 -0.33 0.00 0.00 177.00 176.53 1i4g s ILE 127 N 1.66 3.35 -0.21 2.83 1.01 -1.26 -1.36 121.20 127.21 1i4g s ILE 127 Ca 0.74 -0.55 -0.07 0.00 0.00 0.00 0.00 60.65 60.78 1i4g s ILE 127 Cb -0.46 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 1i4g s ILE 127 CO 0.33 0.50 0.05 0.20 0.00 0.00 0.00 174.94 176.01 1i4g s ASN 128 N 0.56 5.19 -0.04 3.58 0.01 0.27 -4.52 114.94 119.98 1i4g s ASN 128 Ca -0.06 -0.12 0.03 0.00 -0.71 0.00 0.00 52.86 52.01 1i4g s ASN 128 Cb -0.15 -1.90 0.00 0.00 0.41 0.00 0.00 41.25 39.61 1i4g s ASN 128 CO 0.03 0.06 -0.14 -0.22 -1.51 0.00 0.00 177.10 175.32 1i4g s LEU 129 N 1.05 1.83 -0.14 0.60 0.20 -1.26 -0.30 118.68 120.66 1i4g s LEU 129 Ca 0.03 -0.30 0.00 0.00 0.69 0.00 0.00 54.13 54.56 1i4g s LEU 129 Cb -0.14 -0.83 0.02 0.00 -0.43 0.00 0.00 46.19 44.81 1i4g s LEU 129 CO 0.03 0.11 -0.13 0.26 -0.29 0.00 0.00 176.35 176.32 1i4g s TRP 130 N 0.21 2.05 -0.34 5.38 0.51 -0.41 -0.52 118.94 125.83 1i4g s TRP 130 Ca -0.06 -1.15 -0.08 0.00 -2.12 0.00 0.00 56.10 52.69 1i4g s TRP 130 Cb -0.12 -1.53 0.03 0.00 -0.81 0.00 0.00 33.47 31.04 1i4g s TRP 130 CO 0.02 -0.65 0.13 -1.17 -0.51 0.00 0.00 176.95 174.77 1i4g s LEU 131 N 1.52 4.32 -1.44 2.99 2.96 -0.13 -0.79 118.68 128.11 1i4g s LEU 131 Ca 0.05 -0.98 -0.08 0.00 -0.22 0.00 0.00 54.13 52.90 1i4g s LEU 131 Cb -0.13 -1.92 0.05 0.00 0.50 0.00 0.00 46.19 44.69 1i4g s LEU 131 CO -0.10 -0.31 0.85 0.47 -1.32 0.00 0.00 176.35 175.94 1i4g n ASP 132 N 4.88 -3.19 0.00 3.68 8.00 -0.37 -1.41 116.55 128.14 1i4g n ASP 132 Ca -0.13 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.57 1i4g n ASP 132 Cb 0.46 -3.91 0.00 0.00 -0.02 0.00 0.00 41.12 37.65 1i4g n ASP 132 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i4g n GLY 133 N -1.66 2.72 3.68 0.44 0.00 -1.26 -4.99 105.19 104.11 1i4g n GLY 133 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1i4g n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i4g s LYS 134 N -0.04 4.32 0.31 1.61 1.02 -0.50 -4.96 119.74 121.51 1i4g s LYS 134 Ca 0.00 1.06 -0.29 0.00 0.02 0.00 0.00 55.97 56.76 1i4g s LYS 134 Cb 0.00 -3.56 -0.10 0.00 -0.52 0.00 0.00 37.83 33.65 1i4g s LYS 134 CO 0.00 -0.30 1.37 -1.14 -0.92 0.00 0.00 175.35 174.36 1i4g s GLN 135 N 2.04 4.29 -0.03 1.68 0.74 -1.26 -0.96 119.66 126.17 1i4g s GLN 135 Ca 0.40 2.29 0.04 0.00 0.05 0.00 0.00 55.36 58.14 1i4g s GLN 135 Cb -0.17 -3.07 -0.00 0.00 1.10 0.00 0.00 33.01 30.87 1i4g s GLN 135 CO 0.14 -0.31 -0.14 -0.80 -0.55 0.00 0.00 175.29 173.63 1i4g s ASN 136 N -0.18 1.74 -0.10 6.67 0.02 0.32 -4.90 114.94 118.52 1i4g s ASN 136 Ca 0.53 -0.28 -0.30 0.00 -1.02 0.00 0.00 52.86 51.79 1i4g s ASN 136 Cb -0.41 -0.41 -0.02 0.00 0.02 0.00 0.00 41.25 40.43 1i4g s ASN 136 CO 0.51 0.13 1.10 -0.89 0.02 0.00 0.00 177.10 177.97 1i4g s THR 137 N -0.01 4.54 -0.21 1.60 2.01 -1.26 -4.10 115.64 118.21 1i4g s THR 137 Ca -0.01 1.84 -0.06 0.00 0.31 0.00 0.00 61.69 63.77 1i4g s THR 137 Cb -0.09 -4.18 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 1i4g s THR 137 CO 0.01 -0.03 0.02 -0.69 -0.69 0.00 0.00 174.62 173.24 1i4g s VAL 138 N 2.32 4.05 0.50 3.82 1.01 -1.26 -5.09 120.40 125.74 1i4g s VAL 138 Ca 0.51 -0.27 -0.21 0.00 0.00 0.00 0.00 61.98 62.01 1i4g s VAL 138 Cb -0.20 -2.85 -0.09 0.00 0.00 0.00 0.00 36.38 33.23 1i4g s VAL 138 CO 0.18 0.40 0.80 -2.65 0.00 0.00 0.00 175.10 173.83 1i4g n PRO 139 N 4.44 0.90 0.24 2.72 -0.02 -1.26 -4.77 135.00 137.25 1i4g n PRO 139 Ca -0.17 0.33 0.12 0.00 -2.02 0.00 0.00 63.50 61.76 1i4g n PRO 139 Cb 0.52 -1.89 0.54 0.00 -0.02 0.00 0.00 33.50 32.64 1i4g n PRO 139 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1i4g h LEU 140 N 0.85 0.00 -0.94 2.45 3.38 -1.97 -2.94 115.31 116.15 1i4g h LEU 140 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1i4g h LEU 140 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1i4g h LEU 140 CO 0.52 0.18 0.00 -1.84 0.09 0.00 0.00 178.44 177.39 1i4g n GLU 141 N -3.37 1.60 0.12 1.13 -0.00 -1.26 -4.25 120.64 114.61 1i4g n GLU 141 Ca -0.00 -0.92 -0.14 0.00 -0.00 0.00 0.00 57.16 56.10 1i4g n GLU 141 Cb 0.38 -1.27 -0.08 0.00 -0.00 0.00 0.00 31.44 30.47 1i4g n GLU 141 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1i4g h THR 142 N 1.62 0.86 -3.42 3.84 2.02 -1.87 -3.41 112.91 112.55 1i4g h THR 142 Ca 0.00 -0.26 -0.65 0.00 0.77 0.00 0.00 66.41 66.27 1i4g h THR 142 Cb 0.36 1.02 -0.36 0.00 -1.74 0.00 0.00 68.15 67.43 1i4g h THR 142 CO 0.00 0.06 -0.82 -0.69 0.37 0.00 0.00 175.52 174.44 1i4g s VAL 143 N -5.63 1.91 0.12 3.16 1.01 -1.26 -4.74 120.40 114.96 1i4g s VAL 143 Ca -0.15 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1i4g s VAL 143 Cb 0.04 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1i4g s VAL 143 CO 0.63 0.24 -0.01 -1.59 0.00 0.00 0.00 175.10 174.38 1i4g s LYS 144 N 1.29 0.89 0.09 2.72 -2.85 -1.26 -1.33 119.74 119.29 1i4g s LYS 144 Ca -0.01 -1.40 -0.21 0.00 -1.00 0.00 0.00 55.97 53.35 1i4g s LYS 144 Cb -0.16 -0.01 0.05 0.00 -2.06 0.00 0.00 37.83 35.65 1i4g s LYS 144 CO -0.09 -0.14 0.50 -0.08 0.10 0.00 0.00 175.35 175.65 1i4g s THR 145 N -3.81 0.03 -1.69 3.79 -1.32 -0.24 -4.97 115.64 107.44 1i4g s THR 145 Ca 0.18 -0.28 0.15 0.00 -1.21 0.00 0.00 61.69 60.52 1i4g s THR 145 Cb 0.07 -1.03 0.23 0.00 -1.51 0.00 0.00 72.50 70.25 1i4g s THR 145 CO -0.02 -0.16 1.11 0.59 -2.21 0.00 0.00 174.62 173.94 1i4g n ASN 146 N 0.06 2.62 -4.88 8.08 4.13 -1.26 -0.19 115.26 123.82 1i4g n ASN 146 Ca -0.17 -1.76 -0.35 0.00 1.68 0.00 0.00 54.58 53.98 1i4g n ASN 146 Cb 0.62 -0.11 -0.05 0.00 -1.54 0.00 0.00 39.78 38.70 1i4g n ASN 146 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1i4g s LYS 147 N -1.18 3.60 -0.12 3.52 1.02 -1.26 -1.02 119.74 124.31 1i4g s LYS 147 Ca 0.23 -0.04 -0.28 0.00 0.02 0.00 0.00 55.97 55.90 1i4g s LYS 147 Cb 0.14 -3.07 -0.24 0.00 -0.52 0.00 0.00 37.83 34.13 1i4g s LYS 147 CO 0.20 0.64 0.82 0.87 -0.92 0.00 0.00 175.35 176.96 1i4g h LYS 148 N 3.97 -0.00 -4.82 1.68 1.57 -1.32 -3.42 116.57 114.23 1i4g h LYS 148 Ca -0.50 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.62 1i4g h LYS 148 Cb 1.20 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.30 1i4g h LYS 148 CO 0.66 0.89 -0.55 -0.80 -0.57 0.00 0.00 179.45 179.08 1i4g s ASN 149 N -6.12 5.62 0.00 0.86 0.01 -1.26 -0.49 114.94 113.56 1i4g s ASN 149 Ca -0.18 -0.38 0.08 0.00 -0.71 0.00 0.00 52.86 51.66 1i4g s ASN 149 Cb -0.02 -2.02 -0.02 0.00 0.41 0.00 0.00 41.25 39.59 1i4g s ASN 149 CO 0.67 -0.15 -0.24 0.54 -1.51 0.00 0.00 177.10 176.40 1i4g s VAL 150 N 1.65 1.91 0.53 1.60 0.11 -0.21 -4.90 120.40 121.10 1i4g s VAL 150 Ca 0.05 -1.12 -0.20 0.00 -2.93 0.00 0.00 61.98 57.78 1i4g s VAL 150 Cb -0.17 -1.60 -0.06 0.00 -1.53 0.00 0.00 36.38 33.02 1i4g s VAL 150 CO 0.07 0.46 1.18 0.42 -3.33 0.00 0.00 175.10 173.90 1i4g s THR 151 N -0.64 2.91 0.40 5.04 -4.23 -1.26 -0.29 115.64 117.56 1i4g s THR 151 Ca 0.10 0.61 0.08 0.00 -1.18 0.00 0.00 61.69 61.30 1i4g s THR 151 Cb -0.09 -3.27 0.20 0.00 1.34 0.00 0.00 72.50 70.68 1i4g s THR 151 CO 0.00 -0.08 1.97 0.58 -0.54 0.00 0.00 174.62 176.55 1i4g h VAL 152 N 1.34 1.14 -0.44 2.29 2.07 -1.51 -2.71 116.25 118.43 1i4g h VAL 152 Ca -0.50 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 66.55 1i4g h VAL 152 Cb 1.27 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 1i4g h VAL 152 CO 0.57 0.18 0.16 -0.61 0.02 0.00 0.00 177.57 177.90 1i4g h GLN 153 N 0.36 0.33 -0.70 1.57 4.15 -1.91 0.23 115.11 119.14 1i4g h GLN 153 Ca 0.08 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.57 1i4g h GLN 153 Cb 0.20 -0.07 -0.07 0.00 0.21 0.00 0.00 27.48 27.75 1i4g h GLN 153 CO 0.00 0.22 0.36 1.49 -1.93 0.00 0.00 178.83 178.97 1i4g h GLU 154 N 0.34 0.60 -0.22 1.69 4.81 -1.69 -1.53 114.58 118.58 1i4g h GLU 154 Ca 0.20 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.26 1i4g h GLU 154 Cb 0.19 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1i4g h GLU 154 CO -0.20 0.40 -0.41 -0.07 -0.73 0.00 0.00 179.01 178.00 1i4g h LEU 155 N 0.62 0.73 -0.65 1.64 3.38 -1.37 -3.23 115.31 116.44 1i4g h LEU 155 Ca 0.33 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1i4g h LEU 155 Cb 0.31 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1i4g h LEU 155 CO -0.24 1.14 0.37 -0.78 0.09 0.00 0.00 178.44 179.01 1i4g h ASP 156 N 0.36 0.80 -0.90 -0.43 3.58 -0.60 -1.76 116.42 117.46 1i4g h ASP 156 Ca 0.01 -0.08 0.04 0.00 0.42 0.00 0.00 57.03 57.42 1i4g h ASP 156 Cb 1.01 -0.20 -0.06 0.00 1.72 0.00 0.00 39.33 41.80 1i4g h ASP 156 CO 0.09 0.65 0.58 -0.07 -2.88 0.00 0.00 179.24 177.62 1i4g h LEU 157 N 0.89 0.96 -0.05 2.28 3.38 -1.37 -1.16 115.31 120.23 1i4g h LEU 157 Ca 0.23 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1i4g h LEU 157 Cb 0.02 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1i4g h LEU 157 CO -0.04 0.65 -0.11 1.56 0.09 0.00 0.00 178.44 180.59 1i4g h GLN 158 N 1.12 0.16 -0.16 1.13 4.20 -1.51 -2.84 115.11 117.21 1i4g h GLN 158 Ca 0.37 -0.11 0.04 0.00 0.06 0.00 0.00 58.65 59.00 1i4g h GLN 158 Cb 0.03 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 1i4g h GLN 158 CO -0.13 0.71 -0.08 0.00 -0.67 0.00 0.00 178.83 178.66 1i4g h ALA 159 N 0.45 0.06 0.00 3.87 0.00 -1.22 -2.85 119.26 119.58 1i4g h ALA 159 Ca -0.00 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1i4g h ALA 159 Cb 0.71 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1i4g h ALA 159 CO 0.02 -0.51 -0.15 0.00 0.00 0.00 0.00 179.25 178.61 1i4g h ARG 160 N -0.06 0.00 -0.48 0.00 3.08 -1.26 -1.85 114.38 113.81 1i4g h ARG 160 Ca 0.09 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 1i4g h ARG 160 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1i4g h ARG 160 CO -0.20 0.15 -0.17 -0.09 -1.07 0.00 0.00 179.97 178.59 1i4g h ARG 161 N 0.00 0.96 -0.44 0.04 2.43 -1.27 -0.32 114.38 115.78 1i4g h ARG 161 Ca -0.00 -0.40 -0.02 0.00 -0.81 0.00 0.00 59.98 58.75 1i4g h ARG 161 Cb 0.31 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1i4g h ARG 161 CO 0.02 1.06 0.18 -0.92 -1.51 0.00 0.00 179.97 178.81 1i4g h TYR 162 N 0.81 0.67 -0.17 2.20 3.20 -1.22 -0.73 116.97 121.73 1i4g h TYR 162 Ca 0.11 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1i4g h TYR 162 Cb 0.74 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 1i4g h TYR 162 CO 0.05 0.57 0.11 -0.07 -1.64 0.00 0.00 178.16 177.19 1i4g h LEU 163 N 0.57 0.19 0.09 2.82 3.38 -0.93 0.63 115.31 122.07 1i4g h LEU 163 Ca 0.15 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1i4g h LEU 163 Cb 0.18 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1i4g h LEU 163 CO -0.01 0.14 -0.04 -0.61 0.09 0.00 0.00 178.44 178.00 1i4g h GLN 164 N 0.23 -0.12 0.02 1.13 5.75 -0.46 0.62 115.11 122.28 1i4g h GLN 164 Ca 0.06 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 1i4g h GLN 164 Cb -0.02 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 1i4g h GLN 164 CO -0.01 0.38 -0.15 0.93 -2.65 0.00 0.00 178.83 177.32 1i4g h GLU 165 N -0.71 -0.25 0.06 1.69 5.08 -0.72 0.43 114.58 120.16 1i4g h GLU 165 Ca -0.01 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i4g h GLU 165 Cb 0.55 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1i4g h GLU 165 CO 0.02 -0.17 -0.03 -0.22 -1.00 0.00 0.00 179.01 177.62 1i4g h LYS 166 N -0.26 -0.07 -0.38 2.33 3.11 -0.99 -3.39 116.57 116.92 1i4g h LYS 166 Ca 0.04 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 1i4g h LYS 166 Cb 0.31 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.56 1i4g h LYS 166 CO -0.13 0.53 0.00 0.66 -2.81 0.00 0.00 179.45 177.70 1i4g n TYR 167 N -4.80 0.50 -4.14 1.91 4.02 0.19 -4.98 117.16 109.85 1i4g n TYR 167 Ca -0.08 -0.38 -0.30 0.00 -0.01 0.00 0.00 57.90 57.12 1i4g n TYR 167 Cb 0.31 -0.01 -0.05 0.00 -0.02 0.00 0.00 39.34 39.58 1i4g n TYR 167 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1i4g n ASN 168 N 0.93 -0.78 -0.28 7.72 3.02 0.15 -4.38 115.26 121.64 1i4g n ASN 168 Ca 0.15 -1.09 0.06 0.00 -0.03 0.00 0.00 54.58 53.67 1i4g n ASN 168 Cb 0.47 -2.54 0.17 0.00 -0.61 0.00 0.00 39.78 37.27 1i4g n ASN 168 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1i4g h LEU 169 N -1.69 -0.44 -3.63 3.41 5.85 -1.64 -2.05 115.31 115.12 1i4g h LEU 169 Ca -0.63 0.22 -0.30 0.00 0.84 0.00 0.00 57.88 58.01 1i4g h LEU 169 Cb 1.38 0.40 -0.18 0.00 0.37 0.00 0.00 40.66 42.63 1i4g h LEU 169 CO 0.70 -0.22 0.24 -1.22 -0.34 0.00 0.00 178.44 177.60 1i4g n TYR 170 N -5.40 1.98 -3.22 1.25 0.53 -1.26 -4.85 117.16 106.19 1i4g n TYR 170 Ca 0.15 -1.60 -0.30 0.00 -1.02 0.00 0.00 57.90 55.13 1i4g n TYR 170 Cb 0.51 -0.67 -0.04 0.00 -1.03 0.00 0.00 39.34 38.11 1i4g n TYR 170 CO 0.00 0.00 0.00 -0.80 -1.02 0.00 0.00 176.86 175.04 1i4g s ASN 171 N -1.86 6.54 0.83 7.72 -0.87 -0.77 -4.64 114.94 121.89 1i4g s ASN 171 Ca 0.50 0.92 -0.11 0.00 -1.57 0.00 0.00 52.86 52.61 1i4g s ASN 171 Cb 0.43 -2.23 0.09 0.00 -0.02 0.00 0.00 41.25 39.52 1i4g s ASN 171 CO 0.06 -0.21 1.10 -0.94 -2.57 0.00 0.00 177.10 174.54 1i4g s SER 172 N -2.87 3.98 0.23 -1.22 1.04 -1.26 -4.37 113.70 109.23 1i4g s SER 172 Ca 0.48 1.81 -0.06 0.00 0.48 0.00 0.00 55.95 58.65 1i4g s SER 172 Cb -0.11 -2.46 0.37 0.00 0.10 0.00 0.00 66.02 63.93 1i4g s SER 172 CO 0.27 -2.37 1.75 0.44 0.98 0.00 0.00 173.24 174.31 1i4g h ASP 173 N -1.36 0.35 -0.87 7.02 3.32 -1.97 -1.26 116.42 121.66 1i4g h ASP 173 Ca -0.45 0.08 0.22 0.00 0.02 0.00 0.00 57.03 56.90 1i4g h ASP 173 Cb 1.25 0.04 -0.15 0.00 0.22 0.00 0.00 39.33 40.68 1i4g h ASP 173 CO 0.50 0.18 0.08 0.58 -1.72 0.00 0.00 179.24 178.86 1i4g h VAL 174 N 0.51 0.23 -0.87 -1.35 2.07 -1.90 -1.77 116.25 113.16 1i4g h VAL 174 Ca 0.37 -0.04 -0.47 0.00 0.82 0.00 0.00 66.70 67.38 1i4g h VAL 174 Cb 0.47 0.12 -0.18 0.00 -1.52 0.00 0.00 31.29 30.17 1i4g h VAL 174 CO -0.33 0.02 0.51 0.49 0.02 0.00 0.00 177.57 178.28 1i4g n PHE 175 N -5.36 1.87 -2.10 1.57 3.72 -0.49 -4.82 117.46 111.85 1i4g n PHE 175 Ca 0.19 -2.12 -0.19 0.00 -0.05 0.00 0.00 57.45 55.28 1i4g n PHE 175 Cb 0.62 -1.20 -0.03 0.00 -0.94 0.00 0.00 39.48 37.93 1i4g n PHE 175 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1i4g n ASP 176 N 0.33 -5.47 -4.41 4.37 8.00 -0.67 -4.75 116.55 113.96 1i4g n ASP 176 Ca 0.43 0.14 -0.44 0.00 0.71 0.00 0.00 54.79 55.63 1i4g n ASP 176 Cb 0.56 -4.56 -0.03 0.00 -0.02 0.00 0.00 41.12 37.07 1i4g n ASP 176 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1i4g s GLY 177 N -2.35 1.96 0.19 0.44 0.00 -1.11 -4.72 107.32 101.74 1i4g s GLY 177 Ca 0.00 -2.65 0.23 0.00 0.00 0.00 0.00 44.72 42.30 1i4g s GLY 177 CO 0.00 1.80 1.08 0.50 0.00 0.00 0.00 173.10 176.48 1i4g h LYS 178 N 8.81 0.00 -6.69 2.90 1.57 -1.81 -3.35 116.57 118.00 1i4g h LYS 178 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.27 1i4g h LYS 178 Cb 1.05 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.37 1i4g h LYS 178 CO 1.05 0.00 0.51 0.08 -0.57 0.00 0.00 179.45 180.52 1i4g s VAL 179 N -3.33 3.68 -0.02 0.50 1.01 -1.26 -4.45 120.40 116.52 1i4g s VAL 179 Ca 0.00 1.47 0.03 0.00 0.00 0.00 0.00 61.98 63.49 1i4g s VAL 179 Cb 0.10 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1i4g s VAL 179 CO 0.78 0.27 0.03 0.00 0.00 0.00 0.00 175.10 176.18 1i4g n GLN 180 N 2.19 2.61 -3.99 2.72 1.13 0.36 -4.89 117.38 117.51 1i4g n GLN 180 Ca 0.03 -0.01 -0.10 0.00 -1.94 0.00 0.00 57.00 54.98 1i4g n GLN 180 Cb 0.45 -1.08 -0.11 0.00 0.11 0.00 0.00 30.24 29.61 1i4g n GLN 180 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1i4g s ARG 181 N -2.12 0.33 -0.09 -1.09 0.52 -0.76 -0.52 118.95 115.22 1i4g s ARG 181 Ca -0.01 -0.60 -0.30 0.00 -0.52 0.00 0.00 55.73 54.30 1i4g s ARG 181 Cb 0.01 0.03 0.11 0.00 0.52 0.00 0.00 34.95 35.62 1i4g s ARG 181 CO 0.13 -0.03 0.92 0.20 0.02 0.00 0.00 175.30 176.55 1i4g s GLY 182 N -1.38 -0.37 -0.02 -3.53 0.00 -1.26 -0.61 107.32 100.15 1i4g s GLY 182 Ca -0.14 1.60 -0.01 0.00 0.00 0.00 0.00 44.72 46.16 1i4g s GLY 182 CO -0.01 0.79 0.04 -2.27 0.00 0.00 0.00 173.10 171.65 1i4g s LEU 183 N -1.58 1.74 -0.08 0.66 2.96 0.07 -0.90 118.68 121.54 1i4g s LEU 183 Ca -0.01 0.09 0.05 0.00 -0.22 0.00 0.00 54.13 54.04 1i4g s LEU 183 Cb -0.01 0.14 -0.01 0.00 0.50 0.00 0.00 46.19 46.81 1i4g s LEU 183 CO -0.01 -0.03 -0.24 -0.51 -1.32 0.00 0.00 176.35 174.25 1i4g s ILE 184 N 0.14 2.14 -0.11 6.68 2.07 -0.23 -1.62 121.20 130.27 1i4g s ILE 184 Ca -0.01 -1.01 0.02 0.00 -1.41 0.00 0.00 60.65 58.24 1i4g s ILE 184 Cb -0.02 -1.80 0.01 0.00 0.13 0.00 0.00 42.46 40.78 1i4g s ILE 184 CO -0.00 0.56 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.71 1i4g s VAL 185 N 0.12 1.74 -0.55 4.00 1.01 0.60 -0.51 120.40 126.80 1i4g s VAL 185 Ca -0.12 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 60.92 1i4g s VAL 185 Cb -0.16 -1.55 0.14 0.00 0.00 0.00 0.00 36.38 34.81 1i4g s VAL 185 CO 0.07 0.49 0.49 -0.36 0.00 0.00 0.00 175.10 175.78 1i4g s PHE 186 N 0.79 3.35 -0.26 5.22 0.40 0.14 -1.19 117.98 126.42 1i4g s PHE 186 Ca -0.10 -1.52 -0.17 0.00 -0.60 0.00 0.00 56.93 54.54 1i4g s PHE 186 Cb -0.16 -3.72 -0.03 0.00 0.51 0.00 0.00 43.02 39.62 1i4g s PHE 186 CO 0.01 -1.01 0.46 0.00 0.70 0.00 0.00 175.22 175.38 1i4g s ALA 187 N 1.37 3.58 0.26 5.36 0.00 -0.46 -2.15 121.76 129.72 1i4g s ALA 187 Ca 0.05 -0.68 0.09 0.00 0.00 0.00 0.00 51.96 51.43 1i4g s ALA 187 Cb -0.27 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 1i4g s ALA 187 CO 0.01 -0.70 -0.01 0.95 0.00 0.00 0.00 175.76 176.01 1i4g s THR 188 N 2.20 3.45 -0.09 0.00 -4.23 -1.26 -1.38 115.64 114.33 1i4g s THR 188 Ca 0.19 -1.89 0.15 0.00 -1.18 0.00 0.00 61.69 58.96 1i4g s THR 188 Cb -0.16 -2.84 -0.17 0.00 1.34 0.00 0.00 72.50 70.68 1i4g s THR 188 CO 0.09 -0.36 0.77 -1.54 -0.54 0.00 0.00 174.62 173.05 1i4g n SER 189 N -0.83 0.88 -0.94 3.99 3.41 -1.26 -4.28 113.62 114.58 1i4g n SER 189 Ca -0.07 0.40 0.10 0.00 -0.26 0.00 0.00 58.87 59.05 1i4g n SER 189 Cb 0.59 0.06 0.27 0.00 -0.26 0.00 0.00 64.21 64.86 1i4g n SER 189 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1i4g n THR 190 N -2.95 0.50 -3.83 6.66 -2.24 -1.26 -4.99 114.28 106.18 1i4g n THR 190 Ca -0.12 -0.63 -0.07 0.00 -2.27 0.00 0.00 64.05 60.96 1i4g n THR 190 Cb 0.92 0.59 -0.00 0.00 -2.10 0.00 0.00 70.33 69.74 1i4g n THR 190 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1i4g s GLU 191 N -1.50 1.80 0.55 -0.78 -1.05 -1.26 -5.16 118.70 111.31 1i4g s GLU 191 Ca 0.36 -1.08 -0.18 0.00 -0.15 0.00 0.00 54.97 53.92 1i4g s GLU 191 Cb 0.20 0.56 -0.05 0.00 -0.44 0.00 0.00 34.13 34.40 1i4g s GLU 191 CO 0.28 -0.83 1.08 -2.14 0.95 0.00 0.00 175.26 174.59 1i4g s PRO 192 N -3.11 3.43 0.63 -4.83 0.02 -1.26 -4.55 135.00 125.33 1i4g s PRO 192 Ca 0.14 1.39 -0.18 0.00 0.02 0.00 0.00 61.00 62.37 1i4g s PRO 192 Cb -0.05 -2.04 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 1i4g s PRO 192 CO 0.08 -0.75 1.23 -1.12 -0.33 0.00 0.00 177.00 176.11 1i4g s SER 193 N -2.20 4.85 -0.19 2.53 0.01 -1.26 -4.80 113.70 112.63 1i4g s SER 193 Ca 0.68 2.45 -0.01 0.00 1.31 0.00 0.00 55.95 60.37 1i4g s SER 193 Cb -0.19 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1i4g s SER 193 CO 0.29 -1.83 -0.11 -0.69 0.41 0.00 0.00 173.24 171.31 1i4g s VAL 194 N -1.61 2.85 -0.03 3.43 1.01 -0.92 -4.98 120.40 120.16 1i4g s VAL 194 Ca 0.78 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1i4g s VAL 194 Cb -0.32 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 33.82 1i4g s VAL 194 CO 0.37 0.48 -0.04 0.54 0.00 0.00 0.00 175.10 176.45 1i4g s ASN 195 N 1.19 0.71 -0.06 3.32 2.20 -1.26 0.27 114.94 121.32 1i4g s ASN 195 Ca 0.02 -0.10 0.02 0.00 -0.94 0.00 0.00 52.86 51.87 1i4g s ASN 195 Cb -0.14 -0.27 -0.03 0.00 -2.00 0.00 0.00 41.25 38.81 1i4g s ASN 195 CO -0.05 -0.02 -0.12 -0.31 -2.94 0.00 0.00 177.10 173.66 1i4g s TYR 196 N 0.59 2.78 -0.19 1.54 4.12 0.33 -4.95 117.35 121.57 1i4g s TYR 196 Ca -0.07 -0.14 -0.29 0.00 0.02 0.00 0.00 57.07 56.59 1i4g s TYR 196 Cb -0.10 -1.67 -0.01 0.00 -1.52 0.00 0.00 41.96 38.66 1i4g s TYR 196 CO -0.00 0.20 1.18 0.34 0.02 0.00 0.00 175.55 177.29 1i4g s ASP 197 N -0.67 7.00 0.66 2.29 3.68 -1.26 -1.06 116.67 127.31 1i4g s ASP 197 Ca 0.10 1.58 0.41 0.00 2.13 0.00 0.00 52.55 56.77 1i4g s ASP 197 Cb -0.11 -2.54 2.24 0.00 -1.45 0.00 0.00 42.92 41.06 1i4g s ASP 197 CO 0.01 -0.72 2.29 -0.07 0.13 0.00 0.00 175.17 176.81 1i4g h LEU 198 N 9.59 0.00 -3.02 -1.34 3.38 -1.37 -1.23 115.31 121.32 1i4g h LEU 198 Ca -0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1i4g h LEU 198 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1i4g h LEU 198 CO 0.97 0.00 -0.01 0.49 0.09 0.00 0.00 178.44 179.98 1i4g n PHE 199 N -3.16 0.06 -0.39 1.13 3.01 -1.26 -4.76 117.46 112.09 1i4g n PHE 199 Ca -0.03 -1.00 0.06 0.00 1.01 0.00 0.00 57.45 57.49 1i4g n PHE 199 Cb 0.13 -0.16 0.31 0.00 -0.01 0.00 0.00 39.48 39.74 1i4g n PHE 199 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1i4g n GLY 200 N -1.37 2.53 3.77 1.37 0.00 -0.47 -4.81 105.19 106.21 1i4g n GLY 200 Ca 0.16 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 1i4g n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i4g s ALA 201 N -2.21 2.56 -0.11 4.61 0.00 -1.26 -4.98 121.76 120.36 1i4g s ALA 201 Ca 0.42 0.74 -0.11 0.00 0.00 0.00 0.00 51.96 53.01 1i4g s ALA 201 Cb 0.31 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 1i4g s ALA 201 CO 0.15 -1.06 0.25 -0.65 0.00 0.00 0.00 175.76 174.44 1i4g s GLN 202 N -3.63 3.88 0.84 0.00 -1.52 -1.26 -4.98 119.66 112.99 1i4g s GLN 202 Ca 0.71 0.05 0.00 0.00 -1.95 0.00 0.00 55.36 54.17 1i4g s GLN 202 Cb -0.23 -3.29 0.00 0.00 -0.22 0.00 0.00 33.01 29.26 1i4g s GLN 202 CO 0.34 0.54 0.00 0.41 -0.25 0.00 0.00 175.29 176.33 1i4g n GLY 203 N 2.55 -1.96 0.00 3.09 0.00 -1.26 -3.23 105.19 104.37 1i4g n GLY 203 Ca -0.16 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1i4g n GLY 203 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i4g n GLN 204 N 0.00 0.03 -4.03 1.61 6.02 -1.26 -4.75 117.38 115.00 1i4g n GLN 204 Ca 0.00 -0.01 -0.23 0.00 -0.01 0.00 0.00 57.00 56.75 1i4g n GLN 204 Cb 0.00 -1.02 -0.06 0.00 1.02 0.00 0.00 30.24 30.18 1i4g n GLN 204 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1i4g s TYR 205 N -2.05 2.68 0.31 1.08 1.51 -1.26 -3.93 117.35 115.69 1i4g s TYR 205 Ca -0.00 -0.47 0.03 0.00 -1.01 0.00 0.00 57.07 55.62 1i4g s TYR 205 Cb 0.00 -1.83 0.62 0.00 -0.11 0.00 0.00 41.96 40.65 1i4g s TYR 205 CO 0.03 0.22 1.87 0.77 -1.11 0.00 0.00 175.55 177.33 1i4g h SER 206 N 1.43 0.84 0.24 2.29 0.02 -1.93 0.14 113.55 116.58 1i4g h SER 206 Ca -0.43 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.54 1i4g h SER 206 Cb 1.25 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 1i4g h SER 206 CO 0.65 0.48 -0.04 -0.55 -1.14 0.00 0.00 176.83 176.23 1i4g h ASN 207 N 0.92 0.00 0.00 3.07 -1.07 -1.96 -1.92 115.58 114.62 1i4g h ASN 207 Ca 0.44 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 56.64 1i4g h ASN 207 Cb 0.45 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.67 1i4g h ASN 207 CO -0.20 0.04 -1.64 0.35 0.07 0.00 0.00 177.43 176.04 1i4g n THR 208 N -3.42 0.64 0.04 6.14 -2.24 -0.60 -4.47 114.28 110.36 1i4g n THR 208 Ca -0.02 -0.39 -0.01 0.00 -2.27 0.00 0.00 64.05 61.36 1i4g n THR 208 Cb 0.15 -0.75 0.27 0.00 -2.10 0.00 0.00 70.33 67.90 1i4g n THR 208 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1i4g h LEU 209 N 0.00 0.41 -0.36 3.22 3.38 -0.61 -2.69 115.31 118.67 1i4g h LEU 209 Ca -0.25 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1i4g h LEU 209 Cb 1.57 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1i4g h LEU 209 CO 0.01 0.59 -0.05 0.18 0.09 0.00 0.00 178.44 179.27 1i4g n LEU 210 N -4.20 0.61 0.17 1.67 4.77 -0.73 -4.06 117.00 115.23 1i4g n LEU 210 Ca 0.00 -0.13 0.12 0.00 -0.03 0.00 0.00 56.01 55.97 1i4g n LEU 210 Cb 0.33 -0.08 0.62 0.00 -2.33 0.00 0.00 43.42 41.96 1i4g n LEU 210 CO 0.40 0.11 0.87 0.03 -1.33 0.00 0.00 177.39 177.47 1i4g h ARG 211 N 0.88 0.00 0.00 3.23 3.08 -1.70 -2.05 114.38 117.82 1i4g h ARG 211 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1i4g h ARG 211 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1i4g h ARG 211 CO 0.00 0.00 0.00 -0.84 -1.07 0.00 0.00 179.97 178.06 1i4g h ILE 212 N 0.00 0.00 -0.13 2.04 3.07 -1.81 -2.58 117.51 118.10 1i4g h ILE 212 Ca 0.00 -0.19 0.00 0.00 1.55 0.00 0.00 64.86 66.22 1i4g h ILE 212 Cb 0.12 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 37.74 1i4g h ILE 212 CO 0.00 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 175.88 1i4g n TYR 213 N -2.84 0.14 0.28 0.16 0.53 -0.77 -4.47 117.16 110.19 1i4g n TYR 213 Ca -0.01 -0.07 0.16 0.00 -1.02 0.00 0.00 57.90 56.95 1i4g n TYR 213 Cb 0.16 -0.00 0.82 0.00 -1.03 0.00 0.00 39.34 39.29 1i4g n TYR 213 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 1i4g h ARG 214 N 4.56 0.00 0.00 -0.72 2.43 -1.62 -1.94 114.38 117.09 1i4g h ARG 214 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1i4g h ARG 214 Cb 0.98 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1i4g h ARG 214 CO 0.00 0.07 0.00 -0.40 -1.51 0.00 0.00 179.97 178.13 1i4g n ASP 215 N -3.44 0.00 -2.95 -3.80 3.85 -1.26 -1.57 116.55 107.37 1i4g n ASP 215 Ca -0.02 0.07 -0.19 0.00 -0.71 0.00 0.00 54.79 53.94 1i4g n ASP 215 Cb 0.21 -0.33 0.00 0.00 -1.35 0.00 0.00 41.12 39.66 1i4g n ASP 215 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1i4g n ASN 216 N -1.33 -4.18 -4.64 -1.12 5.15 -0.73 -4.83 115.26 103.59 1i4g n ASN 216 Ca 0.10 -0.15 -0.50 0.00 -0.60 0.00 0.00 54.58 53.42 1i4g n ASN 216 Cb 0.20 -3.47 -0.05 0.00 -0.53 0.00 0.00 39.78 35.92 1i4g n ASN 216 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1i4g n LYS 217 N -3.42 1.57 -4.88 1.20 3.00 -1.26 -4.88 118.16 109.49 1i4g n LYS 217 Ca -0.08 0.57 -0.30 0.00 -0.00 0.00 0.00 58.31 58.49 1i4g n LYS 217 Cb 0.58 -2.27 -0.14 0.00 0.00 0.00 0.00 35.03 33.19 1i4g n LYS 217 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1i4g s THR 218 N 1.37 2.24 0.03 3.15 2.01 -1.26 -1.24 115.64 121.93 1i4g s THR 218 Ca 0.85 -1.36 -0.00 0.00 0.31 0.00 0.00 61.69 61.49 1i4g s THR 218 Cb -0.86 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.75 1i4g s THR 218 CO 0.47 0.37 -0.03 0.27 -0.69 0.00 0.00 174.62 175.00 1i4g s ILE 219 N -0.82 0.16 -0.13 1.82 -4.36 0.61 -4.91 121.20 113.57 1i4g s ILE 219 Ca 0.12 -1.22 -0.29 0.00 -0.26 0.00 0.00 60.65 59.00 1i4g s ILE 219 Cb -0.10 -0.69 -0.02 0.00 1.25 0.00 0.00 42.46 42.89 1i4g s ILE 219 CO 0.02 -0.66 1.32 0.21 0.24 0.00 0.00 174.94 176.07 1i4g s ASN 220 N -1.95 6.91 0.29 4.36 3.84 -1.26 -1.04 114.94 126.09 1i4g s ASN 220 Ca -0.08 1.81 0.15 0.00 0.21 0.00 0.00 52.86 54.95 1i4g s ASN 220 Cb -0.04 -2.54 0.28 0.00 -0.55 0.00 0.00 41.25 38.40 1i4g s ASN 220 CO -0.04 -0.76 1.54 0.77 -2.79 0.00 0.00 177.10 175.82 1i4g h SER 221 N 8.27 0.00 -1.82 -4.21 4.64 -1.04 -3.43 113.55 115.97 1i4g h SER 221 Ca -0.30 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.46 1i4g h SER 221 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1i4g h SER 221 CO 0.95 0.53 1.53 1.21 -0.87 0.00 0.00 176.83 180.18 1i4g n GLU 222 N -3.39 1.67 -2.80 4.77 4.07 -1.26 -3.37 120.64 120.34 1i4g n GLU 222 Ca 0.01 0.38 -0.11 0.00 -0.06 0.00 0.00 57.16 57.38 1i4g n GLU 222 Cb 0.67 -3.23 0.05 0.00 -0.06 0.00 0.00 31.44 28.87 1i4g n GLU 222 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1i4g n ASN 223 N 12.62 -4.52 -4.25 4.31 5.15 -1.26 -4.95 115.26 122.36 1i4g n ASN 223 Ca 0.33 -0.49 -0.15 0.00 -0.60 0.00 0.00 54.58 53.68 1i4g n ASN 223 Cb 0.45 -3.81 -0.10 0.00 -0.53 0.00 0.00 39.78 35.79 1i4g n ASN 223 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i4g s MET 224 N -4.21 1.33 0.25 1.20 0.23 -1.22 -4.27 119.30 112.62 1i4g s MET 224 Ca 0.25 -1.71 -0.07 0.00 -1.03 0.00 0.00 55.69 53.13 1i4g s MET 224 Cb -0.03 -0.03 -0.01 0.00 -1.53 0.00 0.00 34.83 33.23 1i4g s MET 224 CO 0.52 -0.34 0.37 -3.38 -2.03 0.00 0.00 175.02 170.16 1i4g s HIS 225 N -3.93 0.75 -0.05 3.16 -3.43 -0.48 -4.41 115.29 106.91 1i4g s HIS 225 Ca 0.38 -1.04 0.06 0.00 -0.80 0.00 0.00 55.06 53.66 1i4g s HIS 225 Cb 0.07 -0.09 -0.02 0.00 -1.43 0.00 0.00 32.58 31.11 1i4g s HIS 225 CO 0.13 -0.92 -0.21 0.42 -2.00 0.00 0.00 174.74 172.16 1i4g s ILE 226 N -3.86 2.48 -0.06 -5.38 1.01 -0.46 -1.35 121.20 113.58 1i4g s ILE 226 Ca 0.29 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 60.05 1i4g s ILE 226 Cb 0.02 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 1i4g s ILE 226 CO 0.12 0.58 -0.18 -1.81 0.00 0.00 0.00 174.94 173.65 1i4g s ASP 227 N -0.50 3.64 -0.09 3.58 1.01 -0.33 -0.57 116.67 123.41 1i4g s ASP 227 Ca 0.06 -0.34 0.01 0.00 0.71 0.00 0.00 52.55 53.00 1i4g s ASP 227 Cb -0.11 -0.90 0.02 0.00 1.01 0.00 0.00 42.92 42.93 1i4g s ASP 227 CO 0.01 0.29 -0.11 -0.63 0.21 0.00 0.00 175.17 174.93 1i4g s ILE 228 N -0.38 1.17 -0.21 0.77 1.01 0.59 -0.29 121.20 123.86 1i4g s ILE 228 Ca 0.04 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.25 1i4g s ILE 228 Cb -0.12 -1.10 0.04 0.00 0.01 0.00 0.00 42.46 41.28 1i4g s ILE 228 CO 0.02 0.38 -0.16 -0.31 0.00 0.00 0.00 174.94 174.87 1i4g s TYR 229 N 1.06 2.97 0.04 3.97 1.51 -0.64 -1.28 117.35 124.98 1i4g s TYR 229 Ca -0.07 -1.93 0.06 0.00 -1.01 0.00 0.00 57.07 54.12 1i4g s TYR 229 Cb -0.15 -1.91 -0.03 0.00 -0.11 0.00 0.00 41.96 39.76 1i4g s TYR 229 CO -0.01 -0.84 -0.12 -0.51 -1.11 0.00 0.00 175.55 172.96 1i4g s LEU 230 N 1.22 2.90 -0.02 -1.29 1.43 0.03 -0.75 118.68 122.19 1i4g s LEU 230 Ca -0.01 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1i4g s LEU 230 Cb -0.16 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.39 1i4g s LEU 230 CO -0.10 0.25 -0.02 -0.31 0.23 0.00 0.00 176.35 176.41 1i4g s TYR 231 N -1.01 0.34 -2.11 0.29 1.51 0.22 -1.23 117.35 115.37 1i4g s TYR 231 Ca 0.17 -0.04 0.15 0.00 -1.01 0.00 0.00 57.07 56.34 1i4g s TYR 231 Cb -0.11 -0.35 0.52 0.00 -0.11 0.00 0.00 41.96 41.91 1i4g s TYR 231 CO 0.08 -0.09 1.39 0.25 -1.11 0.00 0.00 175.55 176.07 1i4g n THR 232 N 3.72 0.33 -1.10 -0.71 -2.24 -1.26 -0.49 114.28 112.53 1i4g n THR 232 Ca -0.22 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1i4g n THR 232 Cb 0.53 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1i4g n THR 232 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96