#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4h n GLU 9 N 0.00 0.00 0.12 3.52 1.02 -1.26 -3.99 120.64 120.05 1i4h n GLU 9 Ca 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.21 1i4h n GLU 9 Cb 0.00 0.00 0.39 0.00 -0.02 0.00 0.00 31.44 31.81 1i4h n GLU 9 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1i4h n LYS 10 N 0.00 0.09 -0.03 3.49 4.81 -1.26 -1.57 118.16 123.70 1i4h n LYS 10 Ca 0.00 0.58 0.01 0.00 -0.87 0.00 0.00 58.31 58.03 1i4h n LYS 10 Cb 0.00 -1.86 -0.10 0.00 0.02 0.00 0.00 35.03 33.09 1i4h n LYS 10 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1i4h n ASP 11 N -2.01 1.93 -4.76 3.14 8.00 -1.26 -4.99 116.55 116.62 1i4h n ASP 11 Ca -0.01 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 1i4h n ASP 11 Cb 0.07 1.27 -0.05 0.00 -0.02 0.00 0.00 41.12 42.39 1i4h n ASP 11 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1i4h s LEU 12 N -4.35 4.55 -0.07 0.64 1.43 -0.61 -4.95 118.68 115.32 1i4h s LEU 12 Ca -0.05 2.06 -0.30 0.00 -1.03 0.00 0.00 54.13 54.81 1i4h s LEU 12 Cb 0.07 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 1i4h s LEU 12 CO 0.54 -0.02 1.37 -0.60 0.23 0.00 0.00 176.35 177.87 1i4h s ARG 13 N -1.46 4.26 0.57 1.70 6.06 -1.26 -4.87 118.95 123.95 1i4h s ARG 13 Ca 0.44 1.86 -0.20 0.00 -2.50 0.00 0.00 55.73 55.34 1i4h s ARG 13 Cb -0.27 -3.71 -0.04 0.00 0.06 0.00 0.00 34.95 30.99 1i4h s ARG 13 CO 0.34 -0.65 1.24 0.15 -2.50 0.00 0.00 175.30 173.88 1i4h s LYS 14 N 3.02 3.05 0.52 5.12 1.02 -1.26 -4.58 119.74 126.63 1i4h s LYS 14 Ca 0.61 1.92 0.24 0.00 0.02 0.00 0.00 55.97 58.76 1i4h s LYS 14 Cb -0.28 -2.04 1.41 0.00 -0.52 0.00 0.00 37.83 36.41 1i4h s LYS 14 CO 0.22 -1.17 2.10 -0.22 -0.92 0.00 0.00 175.35 175.37 1i4h h LYS 15 N 1.09 0.00 -0.01 1.68 3.64 -1.19 -2.37 116.57 119.41 1i4h h LYS 15 Ca -0.50 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.78 1i4h h LYS 15 Cb 1.30 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1i4h h LYS 15 CO 0.56 0.10 -0.45 0.66 -2.27 0.00 0.00 179.45 178.05 1i4h h SER 16 N 0.00 0.02 0.62 4.20 4.64 -1.91 -2.75 113.55 118.38 1i4h h SER 16 Ca -0.00 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1i4h h SER 16 Cb 0.23 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1i4h h SER 16 CO 0.01 0.47 -0.07 -0.33 -0.87 0.00 0.00 176.83 176.05 1i4h h GLU 17 N 0.02 0.00 -7.14 4.77 5.08 -1.80 -3.44 114.58 112.07 1i4h h GLU 17 Ca -0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 1i4h h GLU 17 Cb 0.81 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.17 1i4h h GLU 17 CO 0.06 0.07 0.42 -0.51 -1.00 0.00 0.00 179.01 178.04 1i4h s LEU 18 N -6.57 3.53 0.00 1.33 1.43 -1.04 -5.04 118.68 112.33 1i4h s LEU 18 Ca -0.01 2.22 0.00 0.00 -1.03 0.00 0.00 54.13 55.30 1i4h s LEU 18 Cb 0.11 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.75 1i4h s LEU 18 CO 0.54 -1.66 0.00 0.00 0.23 0.00 0.00 176.35 175.46 1i4h n GLN 19 N -2.01 1.71 -0.08 1.70 1.13 -1.26 -4.97 117.38 113.60 1i4h n GLN 19 Ca 0.12 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 55.02 1i4h n GLN 19 Cb 0.51 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.80 1i4h n GLN 19 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1i4h n GLY 20 N 0.86 -0.35 0.22 1.08 0.00 -1.26 -4.45 105.19 101.29 1i4h n GLY 20 Ca 0.00 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 45.97 1i4h n GLY 20 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1i4h h THR 21 N -0.72 0.51 -0.46 2.61 1.35 -1.95 -3.06 112.91 111.19 1i4h h THR 21 Ca -0.33 -1.12 0.03 0.00 -0.55 0.00 0.00 66.41 64.44 1i4h h THR 21 Cb 1.19 1.78 -0.04 0.00 -1.73 0.00 0.00 68.15 69.36 1i4h h THR 21 CO -0.20 0.21 0.24 0.00 -0.25 0.00 0.00 175.52 175.52 1i4h h ALA 22 N 1.78 0.58 0.06 6.62 0.00 -1.80 -0.43 119.26 126.07 1i4h h ALA 22 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1i4h h ALA 22 Cb 0.77 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1i4h h ALA 22 CO 0.03 -0.10 -0.03 1.25 0.00 0.00 0.00 179.25 180.40 1i4h h LEU 23 N 0.48 -0.06 -0.65 0.00 5.85 -1.75 -1.73 115.31 117.44 1i4h h LEU 23 Ca 0.19 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1i4h h LEU 23 Cb 0.08 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1i4h h LEU 23 CO -0.12 -0.02 0.27 1.23 -0.34 0.00 0.00 178.44 179.46 1i4h h GLY 24 N -0.10 1.04 2.00 3.75 0.00 -1.55 -2.56 103.07 105.65 1i4h h GLY 24 Ca -0.01 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 1i4h h GLY 24 CO 0.01 0.53 -0.21 3.43 0.00 0.00 0.00 176.54 180.30 1i4h h ASN 25 N 0.92 0.00 0.10 0.19 2.35 -0.96 0.36 115.58 118.53 1i4h h ASN 25 Ca 0.22 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.75 1i4h h ASN 25 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1i4h h ASN 25 CO -0.02 0.21 -0.82 -0.07 -1.65 0.00 0.00 177.43 175.08 1i4h h LEU 26 N 0.00 0.71 -0.52 1.61 3.38 -1.06 -1.65 115.31 117.78 1i4h h LEU 26 Ca -0.00 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 1i4h h LEU 26 Cb 0.49 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1i4h h LEU 26 CO 0.03 1.27 0.17 0.50 0.09 0.00 0.00 178.44 180.50 1i4h h LYS 27 N 0.38 0.80 -0.19 1.13 3.64 -0.96 -1.58 116.57 119.79 1i4h h LYS 27 Ca -0.06 -0.17 0.02 0.00 -1.27 0.00 0.00 60.65 59.17 1i4h h LYS 27 Cb 1.44 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.12 1i4h h LYS 27 CO 0.15 0.73 0.07 0.37 -2.27 0.00 0.00 179.45 178.50 1i4h h GLN 28 N 0.71 0.15 0.88 1.90 5.75 -0.84 -0.88 115.11 122.79 1i4h h GLN 28 Ca 0.17 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.62 1i4h h GLN 28 Cb 0.26 -0.03 0.01 0.00 1.07 0.00 0.00 27.48 28.78 1i4h h GLN 28 CO -0.01 0.10 -0.42 0.82 -2.65 0.00 0.00 178.83 176.67 1i4h h ILE 29 N 0.16 0.00 0.00 2.39 2.04 -1.06 0.49 117.51 121.53 1i4h h ILE 29 Ca 0.08 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1i4h h ILE 29 Cb 0.05 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1i4h h ILE 29 CO -0.08 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 176.85 1i4h n TYR 30 N -5.40 0.16 0.00 1.37 4.02 -0.62 -4.08 117.16 112.62 1i4h n TYR 30 Ca -0.15 0.06 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 1i4h n TYR 30 Cb 0.47 -0.59 0.00 0.00 -0.02 0.00 0.00 39.34 39.19 1i4h n TYR 30 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 1i4h n TYR 31 N -1.64 0.00 -0.09 -0.72 9.36 -0.34 -3.71 117.16 120.02 1i4h n TYR 31 Ca 0.04 0.00 -0.17 0.00 3.32 0.00 0.00 57.90 61.09 1i4h n TYR 31 Cb 0.23 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.88 1i4h n TYR 31 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1i4h n TYR 32 N -1.44 0.00 -1.56 2.98 4.02 0.09 -5.02 117.16 116.23 1i4h n TYR 32 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 1i4h n TYR 32 Cb 0.28 -0.65 0.01 0.00 -0.02 0.00 0.00 39.34 38.96 1i4h n TYR 32 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1i4h n ASN 33 N -4.13 0.70 -4.84 7.72 3.02 0.15 -4.96 115.26 112.92 1i4h n ASN 33 Ca -0.31 1.03 -0.33 0.00 -0.03 0.00 0.00 54.58 54.94 1i4h n ASN 33 Cb 0.66 -1.28 -0.06 0.00 -0.61 0.00 0.00 39.78 38.49 1i4h n ASN 33 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1i4h s GLU 34 N -1.83 4.09 0.48 3.52 2.12 -1.26 -4.95 118.70 120.88 1i4h s GLU 34 Ca 0.63 0.92 0.07 0.00 0.36 0.00 0.00 54.97 56.95 1i4h s GLU 34 Cb -0.60 -2.26 0.01 0.00 0.26 0.00 0.00 34.13 31.54 1i4h s GLU 34 CO 0.57 -0.01 0.44 0.15 -0.54 0.00 0.00 175.26 175.87 1i4h s LYS 35 N -3.30 2.40 -0.38 4.30 1.02 -1.26 -4.60 119.74 117.92 1i4h s LYS 35 Ca 0.58 -1.72 -0.11 0.00 0.02 0.00 0.00 55.97 54.74 1i4h s LYS 35 Cb -0.10 -2.31 0.03 0.00 -0.52 0.00 0.00 37.83 34.94 1i4h s LYS 35 CO 0.18 -0.43 0.22 0.00 -0.92 0.00 0.00 175.35 174.41 1i4h s ALA 36 N -2.60 3.29 -0.24 5.17 0.00 -0.42 -4.98 121.76 121.98 1i4h s ALA 36 Ca 0.45 -1.77 -0.03 0.00 0.00 0.00 0.00 51.96 50.61 1i4h s ALA 36 Cb -0.03 -2.63 0.08 0.00 0.00 0.00 0.00 23.12 20.54 1i4h s ALA 36 CO 0.27 -1.43 0.07 0.15 0.00 0.00 0.00 175.76 174.82 1i4h s LYS 37 N 1.55 0.52 0.02 0.00 1.02 -1.26 -1.49 119.74 120.11 1i4h s LYS 37 Ca 0.02 -0.56 -0.06 0.00 0.02 0.00 0.00 55.97 55.39 1i4h s LYS 37 Cb -0.20 -1.88 -0.01 0.00 -0.52 0.00 0.00 37.83 35.23 1i4h s LYS 37 CO 0.06 -0.80 0.11 0.99 -0.92 0.00 0.00 175.35 174.80 1i4h s THR 38 N 1.87 0.11 0.13 2.17 2.01 -0.79 -5.01 115.64 116.13 1i4h s THR 38 Ca 0.04 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 61.20 1i4h s THR 38 Cb -0.17 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 1i4h s THR 38 CO -0.17 -0.48 0.12 -1.61 -0.69 0.00 0.00 174.62 171.79 1i4h s GLU 39 N -1.91 2.92 -0.02 4.92 0.41 -1.26 -1.64 118.70 122.12 1i4h s GLU 39 Ca -0.11 -0.78 -0.00 0.00 -0.41 0.00 0.00 54.97 53.67 1i4h s GLU 39 Cb -0.05 -2.70 0.00 0.00 -1.78 0.00 0.00 34.13 29.60 1i4h s GLU 39 CO -0.01 0.52 0.00 -1.71 -0.49 0.00 0.00 175.26 173.57 1i4h n ASN 40 N -0.02 -6.76 -4.14 -0.19 5.15 -1.24 -4.97 115.26 103.08 1i4h n ASN 40 Ca -0.08 0.57 -0.09 0.00 -0.60 0.00 0.00 54.58 54.38 1i4h n ASN 40 Cb 0.53 -1.82 -0.10 0.00 -0.53 0.00 0.00 39.78 37.87 1i4h n ASN 40 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1i4h s LYS 41 N -0.84 0.89 0.12 1.20 -0.14 0.07 -4.97 119.74 116.07 1i4h s LYS 41 Ca -0.00 -1.41 -0.24 0.00 -1.36 0.00 0.00 55.97 52.95 1i4h s LYS 41 Cb 0.00 0.21 0.07 0.00 -1.68 0.00 0.00 37.83 36.43 1i4h s LYS 41 CO 0.05 -0.23 0.61 -1.83 -0.76 0.00 0.00 175.35 173.19 1i4h s GLU 42 N -4.02 1.23 -0.25 1.68 -1.05 -1.26 -0.52 118.70 114.51 1i4h s GLU 42 Ca 0.21 -0.34 -0.27 0.00 -0.15 0.00 0.00 54.97 54.42 1i4h s GLU 42 Cb 0.07 0.57 0.15 0.00 -0.44 0.00 0.00 34.13 34.49 1i4h s GLU 42 CO -0.00 -0.51 1.19 0.45 0.95 0.00 0.00 175.26 177.34 1i4h s SER 43 N -2.45 -0.25 -0.08 0.83 0.15 -1.26 -5.01 113.70 105.64 1i4h s SER 43 Ca -0.01 0.38 0.12 0.00 0.70 0.00 0.00 55.95 57.14 1i4h s SER 43 Cb -0.01 0.35 0.18 0.00 -1.71 0.00 0.00 66.02 64.83 1i4h s SER 43 CO -0.09 -0.15 1.08 0.00 1.20 0.00 0.00 173.24 175.28 1i4h n HIS 44 N 1.28 0.00 -3.58 3.44 1.44 -1.26 -2.24 115.22 114.30 1i4h n HIS 44 Ca -0.09 -0.77 -0.29 0.00 -2.01 0.00 0.00 57.72 54.56 1i4h n HIS 44 Cb 0.57 -0.11 -0.04 0.00 0.12 0.00 0.00 29.99 30.53 1i4h n HIS 44 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1i4h s ASP 45 N -2.15 6.45 -0.30 4.39 1.01 -1.26 -5.00 116.67 119.82 1i4h s ASP 45 Ca 0.20 0.58 -0.19 0.00 0.71 0.00 0.00 52.55 53.84 1i4h s ASP 45 Cb 0.17 -2.08 0.18 0.00 1.01 0.00 0.00 42.92 42.20 1i4h s ASP 45 CO 0.02 -0.05 1.24 0.00 0.21 0.00 0.00 175.17 176.59 1i4h s GLN 46 N -3.12 0.16 0.00 8.23 -2.07 -1.26 -1.30 119.66 120.30 1i4h s GLN 46 Ca 0.41 0.24 0.00 0.00 -1.82 0.00 0.00 55.36 54.19 1i4h s GLN 46 Cb -0.11 0.05 0.00 0.00 -1.09 0.00 0.00 33.01 31.86 1i4h s GLN 46 CO 0.27 -0.03 0.00 1.19 -1.32 0.00 0.00 175.29 175.40 1i4h n PHE 47 N 2.69 0.00 -1.84 9.60 3.01 -1.26 -4.89 117.46 124.77 1i4h n PHE 47 Ca -0.15 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.02 1i4h n PHE 47 Cb 0.57 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 40.15 1i4h n PHE 47 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1i4h s LEU 48 N 0.00 2.44 0.48 4.37 1.43 -1.26 -4.96 118.68 121.18 1i4h s LEU 48 Ca 0.00 0.70 0.22 0.00 -1.03 0.00 0.00 54.13 54.02 1i4h s LEU 48 Cb 0.00 -3.06 1.24 0.00 0.03 0.00 0.00 46.19 44.40 1i4h s LEU 48 CO 0.00 -2.20 2.02 1.56 0.23 0.00 0.00 176.35 177.95 1i4h h GLN 49 N -1.27 0.00 -1.04 1.70 7.50 -2.02 -2.92 115.11 117.07 1i4h h GLN 49 Ca -0.46 0.00 -0.57 0.00 0.50 0.00 0.00 58.65 58.12 1i4h h GLN 49 Cb 1.31 0.00 -0.28 0.00 0.05 0.00 0.00 27.48 28.56 1i4h h GLN 49 CO 0.59 0.17 0.73 -2.39 -1.50 0.00 0.00 178.83 176.43 1i4h n HIS 50 N -3.86 2.94 -3.99 2.96 1.44 -1.26 -4.34 115.22 109.11 1i4h n HIS 50 Ca -0.02 -2.42 -0.10 0.00 -2.01 0.00 0.00 57.72 53.17 1i4h n HIS 50 Cb 0.26 -1.19 -0.07 0.00 0.12 0.00 0.00 29.99 29.11 1i4h n HIS 50 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1i4h s THR 51 N -3.89 0.07 -0.05 0.61 -4.23 -1.10 -0.79 115.64 106.24 1i4h s THR 51 Ca 0.57 -1.46 -0.02 0.00 -1.18 0.00 0.00 61.69 59.60 1i4h s THR 51 Cb 0.46 -1.89 0.04 0.00 1.34 0.00 0.00 72.50 72.44 1i4h s THR 51 CO 0.04 -0.30 0.12 -0.63 -0.54 0.00 0.00 174.62 173.31 1i4h s ILE 52 N -3.98 -0.05 -0.03 2.99 1.01 -0.96 -4.63 121.20 115.54 1i4h s ILE 52 Ca 0.19 0.19 -0.01 0.00 0.00 0.00 0.00 60.65 61.02 1i4h s ILE 52 Cb 0.04 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 42.27 1i4h s ILE 52 CO 0.01 0.08 0.05 -0.22 0.00 0.00 0.00 174.94 174.86 1i4h s LEU 53 N 1.14 3.78 -0.39 2.97 2.96 -0.42 -1.16 118.68 127.56 1i4h s LEU 53 Ca -0.09 0.14 0.04 0.00 -0.22 0.00 0.00 54.13 53.99 1i4h s LEU 53 Cb -0.12 -2.10 0.11 0.00 0.50 0.00 0.00 46.19 44.58 1i4h s LEU 53 CO -0.05 0.31 0.12 -0.36 -1.32 0.00 0.00 176.35 175.04 1i4h s PHE 54 N -1.09 3.39 0.29 5.38 0.40 0.76 -4.44 117.98 122.67 1i4h s PHE 54 Ca 0.19 -2.94 -0.30 0.00 -0.60 0.00 0.00 56.93 53.29 1i4h s PHE 54 Cb -0.12 -2.77 -0.11 0.00 0.51 0.00 0.00 43.02 40.53 1i4h s PHE 54 CO 0.10 -0.88 1.56 0.15 0.70 0.00 0.00 175.22 176.85 1i4h s LYS 55 N 0.61 4.15 -1.36 0.44 1.02 -1.26 -2.19 119.74 121.14 1i4h s LYS 55 Ca 0.13 2.53 -0.00 0.00 0.02 0.00 0.00 55.97 58.65 1i4h s LYS 55 Cb -0.21 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 1i4h s LYS 55 CO -0.07 -0.59 0.55 0.41 -0.92 0.00 0.00 175.35 174.74 1i4h n GLY 56 N 2.07 -0.26 0.25 -3.33 0.00 -1.13 -4.91 105.19 97.87 1i4h n GLY 56 Ca 0.07 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 1i4h n GLY 56 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1i4h h PHE 57 N -1.85 -0.50 -4.23 1.61 3.57 -0.23 -3.45 116.94 111.86 1i4h h PHE 57 Ca -0.62 -0.01 -0.50 0.00 3.53 0.00 0.00 57.97 60.36 1i4h h PHE 57 Cb 1.37 0.17 0.09 0.00 2.79 0.00 0.00 35.95 40.36 1i4h h PHE 57 CO 0.48 -0.20 0.37 -0.06 -2.23 0.00 0.00 178.31 176.67 1i4h s PHE 58 N -3.99 2.83 0.00 0.41 0.40 -1.12 -5.05 117.98 111.46 1i4h s PHE 58 Ca -0.12 1.52 0.00 0.00 -0.60 0.00 0.00 56.93 57.73 1i4h s PHE 58 Cb 0.01 -3.06 0.00 0.00 0.51 0.00 0.00 43.02 40.49 1i4h s PHE 58 CO 0.40 -1.40 0.00 0.25 0.70 0.00 0.00 175.22 175.17 1i4h n THR 59 N -2.45 0.00 -0.28 0.64 -2.24 -1.26 -4.86 114.28 103.83 1i4h n THR 59 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1i4h n THR 59 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1i4h n THR 59 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1i4h n ASP 60 N 0.00 0.21 -1.19 3.42 5.75 -1.26 -4.74 116.55 118.74 1i4h n ASP 60 Ca 0.00 -0.61 0.11 0.00 -0.01 0.00 0.00 54.79 54.28 1i4h n ASP 60 Cb 0.00 0.22 0.27 0.00 -1.03 0.00 0.00 41.12 40.58 1i4h n ASP 60 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1i4h n HIS 61 N -0.22 0.81 -4.27 2.11 8.25 -1.26 -4.90 115.22 115.74 1i4h n HIS 61 Ca 0.00 -0.45 -0.27 0.00 -0.26 0.00 0.00 57.72 56.74 1i4h n HIS 61 Cb 0.07 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.09 1i4h n HIS 61 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1i4h s SER 62 N -1.07 4.37 0.25 0.41 0.15 -1.26 -5.04 113.70 111.51 1i4h s SER 62 Ca 0.43 -0.53 0.26 0.00 0.70 0.00 0.00 55.95 56.80 1i4h s SER 62 Cb 0.23 -0.79 0.80 0.00 -1.71 0.00 0.00 66.02 64.54 1i4h s SER 62 CO 0.30 0.10 1.76 -0.25 1.20 0.00 0.00 173.24 176.35 1i4h h TRP 63 N 2.90 0.00 -2.41 3.44 2.91 -1.97 -3.46 115.95 117.35 1i4h h TRP 63 Ca -0.47 0.00 -0.52 0.00 1.13 0.00 0.00 58.89 59.03 1i4h h TRP 63 Cb 1.20 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.81 1i4h h TRP 63 CO 0.64 0.00 -0.50 0.71 -1.03 0.00 0.00 178.44 178.26 1i4h s TYR 64 N -3.16 3.28 -0.17 2.65 1.51 -1.26 -4.86 117.35 115.34 1i4h s TYR 64 Ca 0.09 -0.02 -0.08 0.00 -1.01 0.00 0.00 57.07 56.05 1i4h s TYR 64 Cb 0.11 -1.53 -0.07 0.00 -0.11 0.00 0.00 41.96 40.36 1i4h s TYR 64 CO 0.58 0.50 -0.22 0.09 -1.11 0.00 0.00 175.55 175.39 1i4h n ASN 65 N -0.86 1.21 -4.65 2.29 4.13 0.84 -4.46 115.26 113.76 1i4h n ASN 65 Ca -0.08 0.21 -0.24 0.00 1.68 0.00 0.00 54.58 56.15 1i4h n ASN 65 Cb 0.56 -0.50 -0.07 0.00 -1.54 0.00 0.00 39.78 38.23 1i4h n ASN 65 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1i4h s ASP 66 N -6.53 4.58 -0.09 6.41 -0.00 -0.86 0.10 116.67 120.28 1i4h s ASP 66 Ca -0.24 -0.59 0.03 0.00 -0.00 0.00 0.00 52.55 51.75 1i4h s ASP 66 Cb 0.09 -0.87 0.01 0.00 -0.00 0.00 0.00 42.92 42.14 1i4h s ASP 66 CO 0.30 0.02 -0.19 -0.22 -0.00 0.00 0.00 175.17 175.08 1i4h s LEU 67 N -3.51 1.90 -0.09 1.23 2.96 -0.93 -1.78 118.68 118.46 1i4h s LEU 67 Ca 0.30 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 1i4h s LEU 67 Cb -0.07 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.40 1i4h s LEU 67 CO 0.19 0.09 -0.09 -0.22 -1.32 0.00 0.00 176.35 175.01 1i4h s LEU 68 N 0.58 3.03 -0.22 -0.68 2.96 -0.80 -0.17 118.68 123.38 1i4h s LEU 68 Ca -0.15 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 1i4h s LEU 68 Cb -0.17 -1.67 0.05 0.00 0.50 0.00 0.00 46.19 44.90 1i4h s LEU 68 CO 0.05 0.29 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.57 1i4h s VAL 69 N -0.40 1.83 0.03 1.68 1.01 -0.31 -1.64 120.40 122.60 1i4h s VAL 69 Ca 0.05 -1.22 -0.20 0.00 0.00 0.00 0.00 61.98 60.61 1i4h s VAL 69 Cb -0.12 -1.91 -0.06 0.00 0.00 0.00 0.00 36.38 34.29 1i4h s VAL 69 CO 0.02 0.11 0.60 -0.62 0.00 0.00 0.00 175.10 175.22 1i4h s ASP 70 N 1.30 7.03 0.45 3.32 2.15 -0.74 -2.26 116.67 127.92 1i4h s ASP 70 Ca -0.03 1.23 0.03 0.00 0.43 0.00 0.00 52.55 54.21 1i4h s ASP 70 Cb -0.17 -2.37 -0.03 0.00 -0.30 0.00 0.00 42.92 40.04 1i4h s ASP 70 CO -0.08 0.17 0.05 -0.36 -0.17 0.00 0.00 175.17 174.78 1i4h s PHE 71 N -0.56 1.94 0.09 -5.34 0.40 0.03 -2.37 117.98 112.18 1i4h s PHE 71 Ca 0.31 -1.02 -0.30 0.00 -0.60 0.00 0.00 56.93 55.32 1i4h s PHE 71 Cb -0.19 -1.46 -0.14 0.00 0.51 0.00 0.00 43.02 41.75 1i4h s PHE 71 CO 0.18 0.07 1.63 -0.44 0.70 0.00 0.00 175.22 177.37 1i4h h ASP 72 N 1.63 -0.79 -5.17 1.36 3.45 -1.77 -3.47 116.42 111.66 1i4h h ASP 72 Ca -0.41 0.06 -0.05 0.00 0.43 0.00 0.00 57.03 57.06 1i4h h ASP 72 Cb 1.28 0.26 -0.05 0.00 -0.56 0.00 0.00 39.33 40.26 1i4h h ASP 72 CO 0.69 -0.44 0.06 -0.94 -1.57 0.00 0.00 179.24 177.04 1i4h s SER 73 N -4.64 0.06 0.58 6.45 1.04 -1.26 -5.03 113.70 110.90 1i4h s SER 73 Ca -0.16 -1.00 0.38 0.00 0.48 0.00 0.00 55.95 55.65 1i4h s SER 73 Cb 0.06 0.70 1.94 0.00 0.10 0.00 0.00 66.02 68.82 1i4h s SER 73 CO 0.64 -1.36 2.16 0.50 0.98 0.00 0.00 173.24 176.15 1i4h h LYS 74 N 2.10 0.00 -0.71 4.02 3.64 -1.91 -2.50 116.57 121.20 1i4h h LYS 74 Ca -0.26 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.16 1i4h h LYS 74 Cb 1.25 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 1i4h h LYS 74 CO 0.34 0.00 0.44 -0.44 -2.27 0.00 0.00 179.45 177.52 1i4h h ASP 75 N 0.00 0.71 -0.07 4.20 3.32 -1.95 -0.25 116.42 122.38 1i4h h ASP 75 Ca 0.00 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 1i4h h ASP 75 Cb 0.16 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.58 1i4h h ASP 75 CO 0.00 0.48 -0.38 0.40 -1.72 0.00 0.00 179.24 178.02 1i4h h ILE 76 N 0.84 1.42 -0.66 0.35 2.04 -1.87 -3.29 117.51 116.34 1i4h h ILE 76 Ca 0.29 -1.79 0.14 0.00 1.00 0.00 0.00 64.86 64.50 1i4h h ILE 76 Cb 0.06 2.35 -0.11 0.00 -0.74 0.00 0.00 36.82 38.38 1i4h h ILE 76 CO -0.13 0.52 0.04 0.58 0.00 0.00 0.00 178.15 179.16 1i4h h VAL 77 N -0.11 0.48 -0.25 1.67 2.07 -1.31 -1.82 116.25 116.99 1i4h h VAL 77 Ca -0.03 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.51 1i4h h VAL 77 Cb 1.04 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1i4h h VAL 77 CO 0.08 0.03 0.20 0.44 0.02 0.00 0.00 177.57 178.34 1i4h h ASP 78 N 0.15 0.00 0.00 0.57 3.45 -1.12 -1.89 116.42 117.58 1i4h h ASP 78 Ca 0.35 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.81 1i4h h ASP 78 Cb 0.58 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.35 1i4h h ASP 78 CO -0.54 0.00 0.00 0.29 -1.57 0.00 0.00 179.24 177.42 1i4h n LYS 79 N -4.20 0.85 0.00 3.56 5.02 -0.68 -3.64 118.16 119.07 1i4h n LYS 79 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1i4h n LYS 79 Cb 0.35 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1i4h n LYS 79 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1i4h n TYR 80 N -0.91 0.00 -2.04 2.13 4.02 -0.75 -4.90 117.16 114.70 1i4h n TYR 80 Ca 0.17 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.63 1i4h n TYR 80 Cb 0.08 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.37 1i4h n TYR 80 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1i4h s LYS 81 N -0.17 4.07 0.00 -0.72 2.20 -0.94 -1.74 119.74 122.44 1i4h s LYS 81 Ca 0.00 2.04 0.00 0.00 -0.36 0.00 0.00 55.97 57.65 1i4h s LYS 81 Cb 0.00 -3.99 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 1i4h s LYS 81 CO 0.00 -0.97 0.00 0.41 -0.36 0.00 0.00 175.35 174.43 1i4h n GLY 82 N 4.26 3.14 3.79 5.54 0.00 -0.95 -5.01 105.19 115.97 1i4h n GLY 82 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1i4h n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i4h s LYS 83 N -0.31 2.14 -0.37 1.61 -0.14 -0.71 -4.80 119.74 117.17 1i4h s LYS 83 Ca 0.00 0.79 -0.20 0.00 -1.36 0.00 0.00 55.97 55.20 1i4h s LYS 83 Cb 0.00 -1.91 0.00 0.00 -1.68 0.00 0.00 37.83 34.24 1i4h s LYS 83 CO 0.00 -1.62 0.60 0.21 -0.76 0.00 0.00 175.35 173.78 1i4h s LYS 84 N -5.07 3.58 0.33 1.68 2.47 -1.26 -4.43 119.74 117.03 1i4h s LYS 84 Ca 0.61 -0.10 0.07 0.00 -1.56 0.00 0.00 55.97 54.99 1i4h s LYS 84 Cb -0.15 -3.84 -0.06 0.00 -1.46 0.00 0.00 37.83 32.32 1i4h s LYS 84 CO 0.55 -0.76 -0.05 0.14 0.16 0.00 0.00 175.35 175.39 1i4h s VAL 85 N 2.62 1.86 0.15 4.02 -7.23 0.32 -0.08 120.40 122.07 1i4h s VAL 85 Ca 0.22 -2.12 0.08 0.00 -1.81 0.00 0.00 61.98 58.35 1i4h s VAL 85 Cb -0.15 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 1i4h s VAL 85 CO 0.15 -0.18 -0.09 -1.81 -0.31 0.00 0.00 175.10 172.86 1i4h s ASP 86 N -3.55 4.33 0.00 4.85 1.01 0.45 -0.75 116.67 123.02 1i4h s ASP 86 Ca 0.32 -0.50 0.06 0.00 0.71 0.00 0.00 52.55 53.15 1i4h s ASP 86 Cb 0.05 -0.78 -0.02 0.00 1.01 0.00 0.00 42.92 43.18 1i4h s ASP 86 CO 0.15 0.13 -0.19 -0.76 0.21 0.00 0.00 175.17 174.71 1i4h s LEU 87 N -2.60 2.07 -0.30 1.23 1.43 -0.65 -2.68 118.68 117.18 1i4h s LEU 87 Ca 0.24 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1i4h s LEU 87 Cb -0.10 -0.93 0.19 0.00 0.03 0.00 0.00 46.19 45.39 1i4h s LEU 87 CO 0.15 0.20 0.64 -0.47 0.23 0.00 0.00 176.35 177.10 1i4h s TYR 88 N -0.53 -1.60 -0.05 0.29 5.04 -0.82 -1.88 117.35 117.81 1i4h s TYR 88 Ca 0.07 1.34 -0.27 0.00 -2.44 0.00 0.00 57.07 55.77 1i4h s TYR 88 Cb -0.07 0.43 0.09 0.00 0.35 0.00 0.00 41.96 42.75 1i4h s TYR 88 CO -0.00 -0.90 1.24 0.41 -1.34 0.00 0.00 175.55 174.96 1i4h n GLY 89 N 5.42 0.19 3.70 8.97 0.00 -0.55 -4.41 105.19 118.50 1i4h n GLY 89 Ca 0.01 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 1i4h n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i4h s ALA 90 N -1.94 3.50 0.23 4.61 0.00 -1.26 -1.30 121.76 125.60 1i4h s ALA 90 Ca 0.29 -0.27 0.10 0.00 0.00 0.00 0.00 51.96 52.08 1i4h s ALA 90 Cb -0.00 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 1i4h s ALA 90 CO -0.01 -0.13 -0.07 1.52 0.00 0.00 0.00 175.76 177.06 1i4h s TYR 91 N 0.92 2.61 0.14 0.00 1.13 -1.26 -4.22 117.35 116.68 1i4h s TYR 91 Ca 0.25 -0.24 -0.06 0.00 -1.41 0.00 0.00 57.07 55.61 1i4h s TYR 91 Cb -0.15 -1.20 -0.02 0.00 -1.10 0.00 0.00 41.96 39.49 1i4h s TYR 91 CO 0.10 0.59 0.18 1.52 -2.51 0.00 0.00 175.55 175.42 1i4h s TYR 92 N -2.08 0.56 -0.13 -3.49 -0.85 0.56 -4.90 117.35 107.02 1i4h s TYR 92 Ca 0.28 -0.94 0.00 0.00 -0.52 0.00 0.00 57.07 55.89 1i4h s TYR 92 Cb -0.07 -0.23 -0.08 0.00 0.38 0.00 0.00 41.96 41.95 1i4h s TYR 92 CO 0.17 -0.62 -0.12 0.41 -1.52 0.00 0.00 175.55 173.87 1i4h n GLY 93 N -0.14 -0.19 3.68 5.49 0.00 -1.26 0.38 105.19 113.14 1i4h n GLY 93 Ca -0.07 -0.09 -0.49 0.00 0.00 0.00 0.00 46.02 45.37 1i4h n GLY 93 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1i4h n TYR 94 N -2.96 2.29 -1.06 1.61 9.36 -1.26 -1.04 117.16 124.10 1i4h n TYR 94 Ca -0.24 0.07 -0.02 0.00 3.32 0.00 0.00 57.90 61.03 1i4h n TYR 94 Cb 0.75 -2.63 -0.01 0.00 -0.63 0.00 0.00 39.34 36.82 1i4h n TYR 94 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1i4h n GLN 95 N 6.13 -0.75 -2.68 2.98 1.13 -1.26 -4.43 117.38 118.51 1i4h n GLN 95 Ca 0.22 0.36 -0.43 0.00 -1.94 0.00 0.00 57.00 55.21 1i4h n GLN 95 Cb 0.28 -4.03 -0.03 0.00 0.11 0.00 0.00 30.24 26.58 1i4h n GLN 95 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i4h n ALA 97 N 7.55 0.70 -1.88 0.00 0.00 -1.26 -4.92 120.51 120.70 1i4h n ALA 97 Ca 0.10 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1i4h n ALA 97 Cb 0.49 -3.19 0.00 0.00 0.00 0.00 0.00 19.45 16.75 1i4h n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i4h n GLY 98 N 6.14 0.47 0.00 0.00 0.00 -1.26 -5.02 105.19 105.52 1i4h n GLY 98 Ca 0.40 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1i4h n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i4h n GLY 99 N 5.00 5.10 3.11 -0.02 0.00 -1.26 -5.05 105.19 112.07 1i4h n GLY 99 Ca 0.00 -1.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.10 1i4h n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i4h s THR 100 N -1.02 1.19 -0.15 2.61 2.01 -1.26 -4.48 115.64 114.55 1i4h s THR 100 Ca 0.00 -0.62 0.20 0.00 0.31 0.00 0.00 61.69 61.58 1i4h s THR 100 Cb 0.00 -1.01 -0.14 0.00 0.01 0.00 0.00 72.50 71.36 1i4h s THR 100 CO 0.00 0.34 0.76 -0.81 -0.69 0.00 0.00 174.62 174.23 1i4h n PRO 101 N 2.91 0.63 -1.09 4.92 -0.04 -1.26 -5.11 135.00 135.96 1i4h n PRO 101 Ca -0.16 0.09 -0.29 0.00 -0.04 0.00 0.00 63.50 63.10 1i4h n PRO 101 Cb 0.54 -1.74 0.17 0.00 -0.04 0.00 0.00 33.50 32.44 1i4h n PRO 101 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1i4h s ASN 102 N -5.39 2.72 -0.22 3.54 -0.87 -1.26 -5.03 114.94 108.43 1i4h s ASN 102 Ca -0.04 1.37 -0.14 0.00 -1.57 0.00 0.00 52.86 52.48 1i4h s ASN 102 Cb 0.10 -2.04 -0.04 0.00 -0.02 0.00 0.00 41.25 39.24 1i4h s ASN 102 CO 0.82 -3.09 0.33 -0.54 -2.57 0.00 0.00 177.10 172.05 1i4h s LYS 103 N -4.88 4.12 -0.00 -0.60 1.02 -1.26 -4.41 119.74 113.73 1i4h s LYS 103 Ca 0.65 0.05 -0.01 0.00 0.02 0.00 0.00 55.97 56.68 1i4h s LYS 103 Cb -0.19 -3.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.52 1i4h s LYS 103 CO 0.58 -0.05 0.12 0.99 -0.92 0.00 0.00 175.35 176.07 1i4h s THR 104 N 1.36 4.97 0.19 2.17 2.01 -1.26 -0.11 115.64 124.96 1i4h s THR 104 Ca 0.15 -0.34 0.10 0.00 0.31 0.00 0.00 61.69 61.91 1i4h s THR 104 Cb -0.15 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 1i4h s THR 104 CO 0.07 0.33 -0.17 0.00 -0.69 0.00 0.00 174.62 174.16 1i4h s ALA 105 N -1.25 2.72 0.24 7.40 0.00 -0.74 -4.82 121.76 125.32 1i4h s ALA 105 Ca 0.25 -1.56 0.10 0.00 0.00 0.00 0.00 51.96 50.75 1i4h s ALA 105 Cb -0.12 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 1i4h s ALA 105 CO 0.16 0.45 -0.11 0.00 0.00 0.00 0.00 175.76 176.26 1i4h s MET 107 N -3.31 0.69 -0.21 0.00 0.00 -0.65 -0.32 119.30 115.49 1i4h s MET 107 Ca 0.28 0.91 -0.15 0.00 0.00 0.00 0.00 55.69 56.74 1i4h s MET 107 Cb -0.07 0.28 -0.04 0.00 0.00 0.00 0.00 34.83 35.00 1i4h s MET 107 CO 0.16 -0.10 0.34 0.71 0.00 0.00 0.00 175.02 176.13 1i4h s TYR 108 N 0.64 3.36 0.00 4.11 1.51 -1.26 -1.79 117.35 123.91 1i4h s TYR 108 Ca -0.03 0.52 0.00 0.00 -1.01 0.00 0.00 57.07 56.55 1i4h s TYR 108 Cb -0.05 -2.46 0.00 0.00 -0.11 0.00 0.00 41.96 39.34 1i4h s TYR 108 CO -0.04 0.00 0.00 0.41 -1.11 0.00 0.00 175.55 174.82 1i4h n GLY 109 N 4.02 1.27 1.47 0.71 0.00 -1.00 -4.51 105.19 107.15 1i4h n GLY 109 Ca -0.10 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1i4h n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i4h n GLY 110 N 0.00 0.58 3.56 -0.02 0.00 -1.26 -4.90 105.19 103.15 1i4h n GLY 110 Ca 0.00 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 1i4h n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i4h s VAL 111 N -2.00 4.03 0.02 1.61 1.01 -1.26 -1.93 120.40 121.88 1i4h s VAL 111 Ca 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1i4h s VAL 111 Cb 0.00 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 1i4h s VAL 111 CO 0.00 0.53 -0.07 0.42 0.00 0.00 0.00 175.10 175.98 1i4h s THR 112 N -0.07 0.51 0.53 3.92 -4.23 -1.09 -4.93 115.64 110.27 1i4h s THR 112 Ca 0.02 -0.76 -0.22 0.00 -1.18 0.00 0.00 61.69 59.55 1i4h s THR 112 Cb -0.13 -0.52 -0.05 0.00 1.34 0.00 0.00 72.50 73.13 1i4h s THR 112 CO 0.02 -0.18 1.38 -0.76 -0.54 0.00 0.00 174.62 174.54 1i4h s LEU 113 N -1.02 3.90 -0.05 4.79 1.43 -1.26 -0.41 118.68 126.06 1i4h s LEU 113 Ca -0.05 2.81 -0.01 0.00 -1.03 0.00 0.00 54.13 55.85 1i4h s LEU 113 Cb -0.07 -4.20 -0.00 0.00 0.03 0.00 0.00 46.19 41.94 1i4h s LEU 113 CO 0.00 -1.50 -0.02 -0.74 0.23 0.00 0.00 176.35 174.32 1i4h h HIS 114 N 1.63 0.00 -1.65 0.29 -0.00 -0.78 -3.43 115.15 111.22 1i4h h HIS 114 Ca -0.51 0.00 -0.69 0.00 -0.00 0.00 0.00 60.37 59.17 1i4h h HIS 114 Cb 1.29 0.00 0.04 0.00 -0.00 0.00 0.00 27.41 28.75 1i4h h HIS 114 CO 0.47 0.00 0.56 -0.25 -0.00 0.00 0.00 177.93 178.70 1i4h n ASP 115 N -3.27 1.81 -2.07 3.26 10.43 -1.26 -2.00 116.55 123.45 1i4h n ASP 115 Ca -0.01 1.11 -0.19 0.00 2.57 0.00 0.00 54.79 58.27 1i4h n ASP 115 Cb 0.03 -1.18 -0.02 0.00 1.84 0.00 0.00 41.12 41.79 1i4h n ASP 115 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1i4h n ASN 116 N 3.18 -5.45 -0.09 -2.24 3.02 -1.26 -4.86 115.26 107.55 1i4h n ASN 116 Ca 0.20 0.05 0.03 0.00 -0.03 0.00 0.00 54.58 54.84 1i4h n ASN 116 Cb 0.18 -4.52 -0.02 0.00 -0.61 0.00 0.00 39.78 34.81 1i4h n ASN 116 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1i4h n ASN 117 N -1.55 0.72 -4.66 6.41 5.15 -0.85 -4.92 115.26 115.56 1i4h n ASN 117 Ca -0.22 -0.86 -0.42 0.00 -0.60 0.00 0.00 54.58 52.48 1i4h n ASN 117 Cb 0.66 0.68 -0.04 0.00 -0.53 0.00 0.00 39.78 40.56 1i4h n ASN 117 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1i4h s ARG 118 N -1.31 4.27 0.53 1.20 3.52 -1.26 -1.64 118.95 124.27 1i4h s ARG 118 Ca 0.04 1.05 -0.20 0.00 -0.13 0.00 0.00 55.73 56.49 1i4h s ARG 118 Cb 0.05 -3.60 -0.06 0.00 -1.56 0.00 0.00 34.95 29.79 1i4h s ARG 118 CO 0.21 -0.41 1.16 -0.51 -0.81 0.00 0.00 175.30 174.94 1i4h s LEU 119 N 2.45 3.79 0.43 -0.88 1.43 -0.32 -4.92 118.68 120.68 1i4h s LEU 119 Ca 0.38 2.26 0.16 0.00 -1.03 0.00 0.00 54.13 55.91 1i4h s LEU 119 Cb -0.16 -4.50 0.98 0.00 0.03 0.00 0.00 46.19 42.54 1i4h s LEU 119 CO 0.10 -1.23 1.94 0.71 0.23 0.00 0.00 176.35 178.11 1i4h h THR 120 N 1.30 1.06 -3.44 5.49 1.35 -1.96 -3.43 112.91 113.27 1i4h h THR 120 Ca -0.50 -0.86 -0.17 0.00 -0.55 0.00 0.00 66.41 64.33 1i4h h THR 120 Cb 1.27 1.48 -0.24 0.00 -1.73 0.00 0.00 68.15 68.92 1i4h h THR 120 CO 0.57 0.24 -0.53 -1.83 -0.25 0.00 0.00 175.52 173.72 1i4h s GLU 121 N -4.37 0.28 -0.03 4.72 -1.05 -1.26 -5.13 118.70 111.86 1i4h s GLU 121 Ca -0.03 -0.03 -0.36 0.00 -0.15 0.00 0.00 54.97 54.39 1i4h s GLU 121 Cb 0.15 0.13 -0.15 0.00 -0.44 0.00 0.00 34.13 33.82 1i4h s GLU 121 CO 0.68 -0.05 1.63 -1.91 0.95 0.00 0.00 175.26 176.56 1i4h n GLU 122 N 2.42 1.62 -3.15 -4.83 2.13 -1.26 -4.95 120.64 112.62 1i4h n GLU 122 Ca -0.16 0.59 -0.39 0.00 0.66 0.00 0.00 57.16 57.86 1i4h n GLU 122 Cb 0.58 -2.32 -0.05 0.00 0.27 0.00 0.00 31.44 29.91 1i4h n GLU 122 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1i4h s LYS 123 N 2.24 4.38 -0.26 5.31 2.47 -0.54 -4.97 119.74 128.37 1i4h s LYS 123 Ca 0.89 0.70 -0.08 0.00 -1.56 0.00 0.00 55.97 55.92 1i4h s LYS 123 Cb -0.86 -3.46 -0.03 0.00 -1.46 0.00 0.00 37.83 32.03 1i4h s LYS 123 CO 0.51 0.06 0.08 0.15 0.16 0.00 0.00 175.35 176.31 1i4h s LYS 124 N 0.86 3.62 -0.37 4.03 1.02 -1.26 -1.51 119.74 126.13 1i4h s LYS 124 Ca 0.32 -0.50 -0.24 0.00 0.02 0.00 0.00 55.97 55.58 1i4h s LYS 124 Cb -0.17 -3.35 0.01 0.00 -0.52 0.00 0.00 37.83 33.81 1i4h s LYS 124 CO 0.14 -0.21 0.80 0.08 -0.92 0.00 0.00 175.35 175.25 1i4h s VAL 125 N 1.61 4.70 0.40 3.17 1.01 -0.77 -5.02 120.40 125.51 1i4h s VAL 125 Ca 0.06 0.88 -0.26 0.00 0.00 0.00 0.00 61.98 62.66 1i4h s VAL 125 Cb -0.15 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 31.90 1i4h s VAL 125 CO 0.04 -0.48 1.35 -2.84 0.00 0.00 0.00 175.10 173.17 1i4h s PRO 126 N 3.18 3.96 -0.10 2.72 0.02 -1.26 -4.46 135.00 139.05 1i4h s PRO 126 Ca 0.32 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.62 1i4h s PRO 126 Cb -0.13 -2.79 0.02 0.00 0.02 0.00 0.00 34.50 31.62 1i4h s PRO 126 CO 0.18 -0.54 -0.09 0.42 -0.33 0.00 0.00 177.00 176.64 1i4h s ILE 127 N -1.22 1.08 -0.35 2.83 1.01 -1.26 -1.64 121.20 121.65 1i4h s ILE 127 Ca 0.56 -0.35 -0.12 0.00 0.00 0.00 0.00 60.65 60.74 1i4h s ILE 127 Cb -0.40 -1.06 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 1i4h s ILE 127 CO 0.53 0.37 0.23 0.20 0.00 0.00 0.00 174.94 176.26 1i4h s ASN 128 N 1.45 5.93 -0.15 3.58 0.01 -0.43 -4.58 114.94 120.75 1i4h s ASN 128 Ca 0.00 -0.55 0.02 0.00 -0.71 0.00 0.00 52.86 51.62 1i4h s ASN 128 Cb -0.13 -2.10 0.01 0.00 0.41 0.00 0.00 41.25 39.44 1i4h s ASN 128 CO -0.06 -0.27 -0.21 -0.22 -1.51 0.00 0.00 177.10 174.84 1i4h s LEU 129 N 1.68 2.13 -0.10 0.60 0.20 -1.26 -0.82 118.68 121.11 1i4h s LEU 129 Ca 0.05 -0.61 -0.00 0.00 0.69 0.00 0.00 54.13 54.26 1i4h s LEU 129 Cb -0.18 -1.46 -0.03 0.00 -0.43 0.00 0.00 46.19 44.10 1i4h s LEU 129 CO 0.09 0.06 -0.08 0.26 -0.29 0.00 0.00 176.35 176.39 1i4h s TRP 130 N 0.93 2.91 -0.23 5.38 0.51 0.75 -1.48 118.94 127.71 1i4h s TRP 130 Ca -0.04 -0.18 0.02 0.00 -2.12 0.00 0.00 56.10 53.78 1i4h s TRP 130 Cb -0.15 -1.78 0.04 0.00 -0.81 0.00 0.00 33.47 30.77 1i4h s TRP 130 CO -0.05 0.14 -0.14 -1.17 -0.51 0.00 0.00 176.95 175.22 1i4h s LEU 131 N -0.33 2.98 -1.01 2.99 2.96 1.00 -0.11 118.68 127.15 1i4h s LEU 131 Ca 0.04 -1.11 -0.03 0.00 -0.22 0.00 0.00 54.13 52.81 1i4h s LEU 131 Cb -0.13 -1.53 0.02 0.00 0.50 0.00 0.00 46.19 45.06 1i4h s LEU 131 CO 0.02 -0.12 0.16 0.47 -1.32 0.00 0.00 176.35 175.57 1i4h n ASP 132 N 4.51 -3.51 0.00 3.68 8.00 0.15 -0.80 116.55 128.58 1i4h n ASP 132 Ca -0.17 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1i4h n ASP 132 Cb 0.45 -2.98 0.00 0.00 -0.02 0.00 0.00 41.12 38.57 1i4h n ASP 132 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i4h n GLY 133 N -0.89 2.85 3.72 0.44 0.00 -1.26 -5.05 105.19 104.99 1i4h n GLY 133 Ca -0.09 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1i4h n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i4h s LYS 134 N 0.00 4.47 -0.12 1.61 1.02 0.02 -4.97 119.74 121.77 1i4h s LYS 134 Ca 0.00 1.00 -0.26 0.00 0.02 0.00 0.00 55.97 56.73 1i4h s LYS 134 Cb 0.00 -3.45 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 1i4h s LYS 134 CO 0.00 0.05 0.84 -1.14 -0.92 0.00 0.00 175.35 174.18 1i4h s GLN 135 N 0.80 4.37 0.28 1.68 0.74 -1.26 -0.00 119.66 126.27 1i4h s GLN 135 Ca 0.41 1.07 0.05 0.00 0.05 0.00 0.00 55.36 56.93 1i4h s GLN 135 Cb -0.19 -3.53 -0.02 0.00 1.10 0.00 0.00 33.01 30.37 1i4h s GLN 135 CO 0.20 -0.21 0.42 -0.80 -0.55 0.00 0.00 175.29 174.36 1i4h s ASN 136 N 1.05 6.22 0.36 6.67 0.02 -0.55 -4.98 114.94 123.73 1i4h s ASN 136 Ca 0.41 0.07 -0.18 0.00 -1.02 0.00 0.00 52.86 52.13 1i4h s ASN 136 Cb -0.17 -1.73 -0.10 0.00 0.02 0.00 0.00 41.25 39.27 1i4h s ASN 136 CO 0.16 -0.20 0.83 -0.89 0.02 0.00 0.00 177.10 177.02 1i4h s THR 137 N -2.08 4.54 -0.05 1.60 2.01 -1.26 -4.31 115.64 116.08 1i4h s THR 137 Ca 0.38 1.23 -0.02 0.00 0.31 0.00 0.00 61.69 63.59 1i4h s THR 137 Cb -0.09 -3.65 0.03 0.00 0.01 0.00 0.00 72.50 68.80 1i4h s THR 137 CO 0.31 -0.19 0.04 -0.69 -0.69 0.00 0.00 174.62 173.39 1i4h s VAL 138 N -2.01 0.07 0.32 3.82 1.01 -1.26 -5.02 120.40 117.33 1i4h s VAL 138 Ca 0.56 0.30 -0.29 0.00 0.00 0.00 0.00 61.98 62.56 1i4h s VAL 138 Cb -0.11 -0.28 -0.11 0.00 0.00 0.00 0.00 36.38 35.88 1i4h s VAL 138 CO 0.16 0.20 1.50 -2.16 0.00 0.00 0.00 175.10 174.80 1i4h s PRO 139 N 2.02 4.17 0.00 2.72 0.04 -1.26 -4.81 135.00 137.88 1i4h s PRO 139 Ca 0.04 2.49 0.03 0.00 0.04 0.00 0.00 61.00 63.60 1i4h s PRO 139 Cb -0.12 -3.02 0.15 0.00 0.04 0.00 0.00 34.50 31.55 1i4h s PRO 139 CO -0.04 -0.51 0.87 1.28 0.04 0.00 0.00 177.00 178.65 1i4h n LEU 140 N 1.36 0.00 0.01 -3.56 4.77 -1.26 -2.14 117.00 116.18 1i4h n LEU 140 Ca 0.04 0.25 0.12 0.00 -0.03 0.00 0.00 56.01 56.39 1i4h n LEU 140 Cb 0.39 -0.25 0.16 0.00 -2.33 0.00 0.00 43.42 41.39 1i4h n LEU 140 CO 0.63 -0.23 0.30 1.21 -1.33 0.00 0.00 177.39 177.97 1i4h n GLU 141 N -1.25 0.07 -0.30 3.23 2.13 -1.26 -4.36 120.64 118.90 1i4h n GLU 141 Ca 0.01 0.01 0.10 0.00 0.66 0.00 0.00 57.16 57.94 1i4h n GLU 141 Cb 0.02 -1.53 0.26 0.00 0.27 0.00 0.00 31.44 30.46 1i4h n GLU 141 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1i4h h THR 142 N 0.00 0.63 -3.56 6.31 2.02 -1.78 -3.40 112.91 113.13 1i4h h THR 142 Ca 0.00 -0.19 -0.39 0.00 0.77 0.00 0.00 66.41 66.60 1i4h h THR 142 Cb 0.56 0.03 -0.33 0.00 -1.74 0.00 0.00 68.15 66.68 1i4h h THR 142 CO 0.00 0.10 -0.77 -0.69 0.37 0.00 0.00 175.52 174.53 1i4h s VAL 143 N -5.93 0.52 -0.09 3.16 1.01 -1.26 -4.68 120.40 113.13 1i4h s VAL 143 Ca -0.12 -0.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.58 1i4h s VAL 143 Cb 0.23 -0.53 0.03 0.00 0.00 0.00 0.00 36.38 36.12 1i4h s VAL 143 CO 0.78 0.21 0.34 -1.59 0.00 0.00 0.00 175.10 174.84 1i4h s LYS 144 N 0.69 0.51 0.06 2.72 -2.85 -1.26 -1.85 119.74 117.75 1i4h s LYS 144 Ca -0.09 0.24 0.01 0.00 -1.00 0.00 0.00 55.97 55.13 1i4h s LYS 144 Cb -0.12 0.24 -0.03 0.00 -2.06 0.00 0.00 37.83 35.85 1i4h s LYS 144 CO 0.00 -0.10 -0.05 -0.08 0.10 0.00 0.00 175.35 175.22 1i4h s THR 145 N -0.37 0.44 -0.14 3.79 -1.32 -0.57 -5.00 115.64 112.48 1i4h s THR 145 Ca -0.05 -1.50 0.18 0.00 -1.21 0.00 0.00 61.69 59.11 1i4h s THR 145 Cb -0.03 -1.11 0.30 0.00 -1.51 0.00 0.00 72.50 70.14 1i4h s THR 145 CO 0.02 -0.71 1.16 0.59 -2.21 0.00 0.00 174.62 173.47 1i4h n ASN 146 N 0.68 2.25 -4.34 8.08 4.13 -1.26 -1.46 115.26 123.33 1i4h n ASN 146 Ca -0.17 -3.16 -0.31 0.00 1.68 0.00 0.00 54.58 52.62 1i4h n ASN 146 Cb 0.58 -0.44 -0.15 0.00 -1.54 0.00 0.00 39.78 38.23 1i4h n ASN 146 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1i4h s LYS 147 N -2.87 2.01 0.00 3.52 1.02 -1.26 -1.17 119.74 120.99 1i4h s LYS 147 Ca 0.32 -0.99 -0.24 0.00 0.02 0.00 0.00 55.97 55.08 1i4h s LYS 147 Cb 0.29 -2.05 -0.18 0.00 -0.52 0.00 0.00 37.83 35.37 1i4h s LYS 147 CO 0.02 0.54 1.32 0.87 -0.92 0.00 0.00 175.35 177.19 1i4h h LYS 148 N 5.15 0.08 -4.80 1.68 1.57 -1.66 -3.40 116.57 115.18 1i4h h LYS 148 Ca -0.45 -0.04 -0.68 0.00 -1.87 0.00 0.00 60.65 57.62 1i4h h LYS 148 Cb 1.13 -0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.18 1i4h h LYS 148 CO 0.46 0.50 -0.62 -0.80 -0.57 0.00 0.00 179.45 178.42 1i4h s ASN 149 N -5.74 5.12 0.14 0.86 0.01 -1.26 -1.44 114.94 112.63 1i4h s ASN 149 Ca -0.15 -0.74 0.09 0.00 -0.71 0.00 0.00 52.86 51.35 1i4h s ASN 149 Cb 0.03 -1.88 -0.04 0.00 0.41 0.00 0.00 41.25 39.77 1i4h s ASN 149 CO 0.69 -0.20 -0.22 0.54 -1.51 0.00 0.00 177.10 176.41 1i4h s VAL 150 N 1.49 1.91 0.33 1.60 0.11 0.16 -4.91 120.40 121.09 1i4h s VAL 150 Ca 0.02 -1.74 -0.26 0.00 -2.93 0.00 0.00 61.98 57.07 1i4h s VAL 150 Cb -0.17 -1.78 -0.10 0.00 -1.53 0.00 0.00 36.38 32.80 1i4h s VAL 150 CO 0.02 -0.11 0.97 0.42 -3.33 0.00 0.00 175.10 173.08 1i4h s THR 151 N -1.45 4.07 0.57 5.04 -4.23 -1.26 -0.50 115.64 117.87 1i4h s THR 151 Ca 0.12 1.72 0.29 0.00 -1.18 0.00 0.00 61.69 62.63 1i4h s THR 151 Cb -0.09 -3.95 0.34 0.00 1.34 0.00 0.00 72.50 70.14 1i4h s THR 151 CO 0.06 0.14 2.23 0.58 -0.54 0.00 0.00 174.62 177.09 1i4h h VAL 152 N 2.58 0.56 -0.39 2.29 2.07 -1.65 -2.69 116.25 119.03 1i4h h VAL 152 Ca -0.47 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1i4h h VAL 152 Cb 1.20 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1i4h h VAL 152 CO 0.65 0.01 0.15 -0.61 0.02 0.00 0.00 177.57 177.79 1i4h h GLN 153 N 0.00 0.58 -0.85 1.57 4.15 -1.92 0.16 115.11 118.80 1i4h h GLN 153 Ca -0.00 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 1i4h h GLN 153 Cb 0.03 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.59 1i4h h GLN 153 CO 0.00 0.56 0.49 1.49 -1.93 0.00 0.00 178.83 179.44 1i4h h GLU 154 N 0.48 1.16 0.09 1.69 4.81 -1.69 0.26 114.58 121.38 1i4h h GLU 154 Ca 0.13 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1i4h h GLU 154 Cb 0.20 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1i4h h GLU 154 CO -0.01 0.83 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.99 1i4h h LEU 155 N 1.18 -0.10 -1.18 1.64 3.38 -1.51 -3.17 115.31 115.54 1i4h h LEU 155 Ca 0.30 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.85 1i4h h LEU 155 Cb -0.02 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1i4h h LEU 155 CO -0.05 0.48 0.57 -0.78 0.09 0.00 0.00 178.44 178.74 1i4h h ASP 156 N -0.73 0.89 -0.86 -0.43 3.58 -0.51 -0.76 116.42 117.60 1i4h h ASP 156 Ca -0.01 -0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.45 1i4h h ASP 156 Cb 0.57 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.38 1i4h h ASP 156 CO 0.02 0.59 0.57 -0.07 -2.88 0.00 0.00 179.24 177.47 1i4h h LEU 157 N 1.03 0.98 -0.11 2.28 3.38 -0.55 -1.23 115.31 121.08 1i4h h LEU 157 Ca 0.36 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.13 1i4h h LEU 157 Cb 0.12 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.64 1i4h h LEU 157 CO -0.12 0.70 -0.63 1.56 0.09 0.00 0.00 178.44 180.04 1i4h h GLN 158 N 1.15 0.62 -0.70 1.13 4.20 -1.24 -2.37 115.11 117.90 1i4h h GLN 158 Ca 0.32 -0.52 0.01 0.00 0.06 0.00 0.00 58.65 58.52 1i4h h GLN 158 Cb -0.10 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1i4h h GLN 158 CO -0.08 1.14 0.46 0.00 -0.67 0.00 0.00 178.83 179.68 1i4h h ALA 159 N 0.49 0.89 0.00 3.87 0.00 -0.82 -2.87 119.26 120.81 1i4h h ALA 159 Ca -0.05 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1i4h h ALA 159 Cb 1.27 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1i4h h ALA 159 CO 0.13 0.32 -0.73 0.00 0.00 0.00 0.00 179.25 178.96 1i4h h ARG 160 N 0.95 0.00 -0.81 0.00 3.08 -1.29 -2.05 114.38 114.25 1i4h h ARG 160 Ca 0.26 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.27 1i4h h ARG 160 Cb -0.10 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 1i4h h ARG 160 CO -0.05 0.73 0.39 -0.09 -1.07 0.00 0.00 179.97 179.87 1i4h h ARG 161 N 0.00 1.17 -0.14 0.04 2.43 -1.21 -0.19 114.38 116.48 1i4h h ARG 161 Ca -0.01 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 58.92 1i4h h ARG 161 Cb 1.30 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1i4h h ARG 161 CO 0.09 0.90 -0.21 -0.92 -1.51 0.00 0.00 179.97 178.33 1i4h h TYR 162 N 1.16 0.47 -0.71 2.20 3.20 -1.47 -2.40 116.97 119.42 1i4h h TYR 162 Ca 0.28 -0.16 0.10 0.00 3.14 0.00 0.00 58.73 62.09 1i4h h TYR 162 Cb 0.12 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.25 1i4h h TYR 162 CO 0.01 0.82 0.47 -0.07 -1.64 0.00 0.00 178.16 177.75 1i4h h LEU 163 N -0.01 0.53 -0.07 2.82 3.38 -0.94 0.72 115.31 121.73 1i4h h LEU 163 Ca 0.01 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1i4h h LEU 163 Cb 0.77 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1i4h h LEU 163 CO 0.05 0.32 -0.11 -0.61 0.09 0.00 0.00 178.44 178.18 1i4h h GLN 164 N 0.59 0.20 -0.54 1.13 5.75 -0.91 0.80 115.11 122.13 1i4h h GLN 164 Ca 0.33 -0.12 -0.05 0.00 -0.15 0.00 0.00 58.65 58.66 1i4h h GLN 164 Cb 0.49 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.03 1i4h h GLN 164 CO -0.11 0.68 0.15 1.49 -2.65 0.00 0.00 178.83 178.38 1i4h h GLU 165 N -0.26 0.85 0.00 1.69 4.81 -0.82 -1.18 114.58 119.67 1i4h h GLU 165 Ca 0.01 -0.19 -0.18 0.00 -0.13 0.00 0.00 59.36 58.86 1i4h h GLU 165 Cb 0.65 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1i4h h GLU 165 CO 0.02 0.79 -1.41 -0.22 -0.73 0.00 0.00 179.01 177.47 1i4h h LYS 166 N 0.75 0.00 0.00 1.92 3.11 -0.97 -3.41 116.57 117.98 1i4h h LYS 166 Ca 0.17 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.01 1i4h h LYS 166 Cb 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.54 1i4h h LYS 166 CO -0.00 0.34 0.00 0.66 -2.81 0.00 0.00 179.45 177.63 1i4h n TYR 167 N -2.93 0.00 -2.55 1.91 4.02 0.27 -5.00 117.16 112.88 1i4h n TYR 167 Ca -0.10 -0.21 -0.14 0.00 -0.01 0.00 0.00 57.90 57.44 1i4h n TYR 167 Cb 0.87 -0.02 -0.00 0.00 -0.02 0.00 0.00 39.34 40.16 1i4h n TYR 167 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1i4h n ASN 168 N -0.21 -4.05 -0.33 7.72 3.02 -0.45 -4.59 115.26 116.38 1i4h n ASN 168 Ca 0.00 0.11 0.20 0.00 -0.03 0.00 0.00 54.58 54.86 1i4h n ASN 168 Cb 0.18 -3.42 0.38 0.00 -0.61 0.00 0.00 39.78 36.30 1i4h n ASN 168 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1i4h h LEU 169 N -0.14 -0.16 -3.84 3.41 5.85 -1.72 -0.45 115.31 118.26 1i4h h LEU 169 Ca -0.32 0.26 -0.54 0.00 0.84 0.00 0.00 57.88 58.12 1i4h h LEU 169 Cb 1.24 0.39 -0.29 0.00 0.37 0.00 0.00 40.66 42.36 1i4h h LEU 169 CO 0.38 -0.35 0.30 -1.22 -0.34 0.00 0.00 178.44 177.21 1i4h n TYR 170 N -5.38 2.75 -4.04 1.25 0.53 -1.26 -4.86 117.16 106.15 1i4h n TYR 170 Ca 0.28 -2.43 -0.28 0.00 -1.02 0.00 0.00 57.90 54.44 1i4h n TYR 170 Cb 0.91 -0.97 -0.05 0.00 -1.03 0.00 0.00 39.34 38.20 1i4h n TYR 170 CO 0.00 0.00 0.00 -0.80 -1.02 0.00 0.00 176.86 175.04 1i4h s ASN 171 N -2.26 5.72 0.82 7.72 -0.87 -0.18 -4.60 114.94 121.29 1i4h s ASN 171 Ca 0.57 -0.01 -0.12 0.00 -1.57 0.00 0.00 52.86 51.74 1i4h s ASN 171 Cb 0.47 -1.57 0.09 0.00 -0.02 0.00 0.00 41.25 40.21 1i4h s ASN 171 CO 0.02 0.11 1.10 -0.94 -2.57 0.00 0.00 177.10 174.82 1i4h s SER 172 N -2.80 4.23 0.25 -1.22 1.04 -1.26 -4.18 113.70 109.76 1i4h s SER 172 Ca 0.31 1.32 -0.05 0.00 0.48 0.00 0.00 55.95 58.01 1i4h s SER 172 Cb -0.11 -2.04 0.31 0.00 0.10 0.00 0.00 66.02 64.28 1i4h s SER 172 CO 0.24 -2.14 1.90 0.44 0.98 0.00 0.00 173.24 174.66 1i4h h ASP 173 N -1.21 1.05 -0.59 7.02 3.32 -1.96 -1.66 116.42 122.40 1i4h h ASP 173 Ca -0.48 -0.01 0.13 0.00 0.02 0.00 0.00 57.03 56.69 1i4h h ASP 173 Cb 1.28 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 1i4h h ASP 173 CO 0.58 0.72 0.40 0.58 -1.72 0.00 0.00 179.24 179.81 1i4h h VAL 174 N 1.22 0.82 -0.86 -1.35 2.07 -1.91 -2.26 116.25 113.99 1i4h h VAL 174 Ca 0.38 -0.09 -0.51 0.00 0.82 0.00 0.00 66.70 67.30 1i4h h VAL 174 Cb -0.01 0.54 -0.28 0.00 -1.52 0.00 0.00 31.29 30.03 1i4h h VAL 174 CO -0.12 0.05 0.46 0.49 0.02 0.00 0.00 177.57 178.47 1i4h n PHE 175 N -4.44 2.73 -1.84 1.57 3.72 -0.81 -4.92 117.46 113.47 1i4h n PHE 175 Ca 0.10 -2.25 -0.02 0.00 -0.05 0.00 0.00 57.45 55.24 1i4h n PHE 175 Cb 0.48 -0.98 -0.00 0.00 -0.94 0.00 0.00 39.48 38.03 1i4h n PHE 175 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1i4h n ASP 176 N -1.03 -1.78 -4.44 4.37 9.92 -0.85 -4.77 116.55 117.98 1i4h n ASP 176 Ca 0.55 0.01 -0.44 0.00 -0.53 0.00 0.00 54.79 54.37 1i4h n ASP 176 Cb 1.15 -0.87 -0.02 0.00 -0.64 0.00 0.00 41.12 40.73 1i4h n ASP 176 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1i4h s GLY 177 N -2.93 2.18 0.00 0.44 0.00 -0.69 -4.71 107.32 101.61 1i4h s GLY 177 Ca 0.00 -3.02 0.28 0.00 0.00 0.00 0.00 44.72 41.98 1i4h s GLY 177 CO 0.00 1.91 1.77 0.28 0.00 0.00 0.00 173.10 177.06 1i4h n LYS 178 N 5.88 0.18 -3.28 2.90 5.02 -1.26 -4.21 118.16 123.39 1i4h n LYS 178 Ca 0.26 -0.06 -0.38 0.00 -2.02 0.00 0.00 58.31 56.11 1i4h n LYS 178 Cb 0.47 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 1i4h n LYS 178 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1i4h s VAL 179 N -2.86 5.09 -0.19 -0.18 1.01 -1.26 -4.32 120.40 117.69 1i4h s VAL 179 Ca 0.17 1.06 0.01 0.00 0.00 0.00 0.00 61.98 63.22 1i4h s VAL 179 Cb 0.19 -3.86 -0.12 0.00 0.00 0.00 0.00 36.38 32.59 1i4h s VAL 179 CO 0.56 0.37 -0.18 0.00 0.00 0.00 0.00 175.10 175.85 1i4h n GLN 180 N 3.27 0.48 -4.36 2.72 1.13 0.58 -4.85 117.38 116.35 1i4h n GLN 180 Ca -0.07 0.12 -0.18 0.00 -1.94 0.00 0.00 57.00 54.92 1i4h n GLN 180 Cb 0.51 -1.37 -0.10 0.00 0.11 0.00 0.00 30.24 29.39 1i4h n GLN 180 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1i4h s ARG 181 N -2.38 1.40 -0.26 -1.09 0.52 -0.98 -0.62 118.95 115.54 1i4h s ARG 181 Ca -0.26 -1.71 -0.27 0.00 -0.52 0.00 0.00 55.73 52.97 1i4h s ARG 181 Cb 0.07 -0.78 0.15 0.00 0.52 0.00 0.00 34.95 34.91 1i4h s ARG 181 CO 0.44 -0.06 1.17 0.20 0.02 0.00 0.00 175.30 177.07 1i4h s GLY 182 N -3.35 -0.02 -0.01 -3.53 0.00 -1.26 -1.80 107.32 97.36 1i4h s GLY 182 Ca 0.29 2.76 0.04 0.00 0.00 0.00 0.00 44.72 47.81 1i4h s GLY 182 CO 0.10 1.57 -0.13 -2.27 0.00 0.00 0.00 173.10 172.37 1i4h s LEU 183 N -0.31 2.03 -0.08 0.66 2.96 -0.47 -0.90 118.68 122.57 1i4h s LEU 183 Ca 0.04 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 1i4h s LEU 183 Cb -0.03 -0.68 0.01 0.00 0.50 0.00 0.00 46.19 45.99 1i4h s LEU 183 CO -0.07 0.15 -0.15 -0.51 -1.32 0.00 0.00 176.35 174.45 1i4h s ILE 184 N -0.34 1.42 -0.20 6.68 2.07 -0.38 -1.19 121.20 129.26 1i4h s ILE 184 Ca 0.05 -0.63 -0.01 0.00 -1.41 0.00 0.00 60.65 58.65 1i4h s ILE 184 Cb -0.05 -1.28 0.01 0.00 0.13 0.00 0.00 42.46 41.27 1i4h s ILE 184 CO -0.00 0.42 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.62 1i4h s VAL 185 N 0.67 2.53 -0.70 4.00 1.01 0.02 -1.21 120.40 126.71 1i4h s VAL 185 Ca -0.14 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 1i4h s VAL 185 Cb -0.16 -2.13 0.18 0.00 0.00 0.00 0.00 36.38 34.27 1i4h s VAL 185 CO 0.04 0.46 0.65 -0.36 0.00 0.00 0.00 175.10 175.89 1i4h s PHE 186 N 1.34 3.54 -0.15 5.22 0.40 -0.65 -1.54 117.98 126.15 1i4h s PHE 186 Ca 0.04 -1.69 -0.10 0.00 -0.60 0.00 0.00 56.93 54.58 1i4h s PHE 186 Cb -0.14 -3.81 -0.05 0.00 0.51 0.00 0.00 43.02 39.53 1i4h s PHE 186 CO -0.09 -1.00 0.19 0.00 0.70 0.00 0.00 175.22 175.02 1i4h s ALA 187 N 0.79 3.73 0.27 5.36 0.00 -1.15 -2.59 121.76 128.16 1i4h s ALA 187 Ca 0.12 -0.59 0.10 0.00 0.00 0.00 0.00 51.96 51.59 1i4h s ALA 187 Cb -0.19 -2.17 -0.05 0.00 0.00 0.00 0.00 23.12 20.71 1i4h s ALA 187 CO -0.04 0.31 -0.16 0.99 0.00 0.00 0.00 175.76 176.87 1i4h s THR 188 N -0.17 2.19 -0.10 0.00 2.01 -1.26 -2.23 115.64 116.09 1i4h s THR 188 Ca 0.13 -2.30 -0.20 0.00 0.31 0.00 0.00 61.69 59.63 1i4h s THR 188 Cb -0.12 -2.31 -0.17 0.00 0.01 0.00 0.00 72.50 69.91 1i4h s THR 188 CO 0.02 -0.40 0.66 0.77 -0.69 0.00 0.00 174.62 174.98 1i4h h SER 189 N 2.30 -0.06 -3.12 3.53 4.64 -1.92 -3.41 113.55 115.52 1i4h h SER 189 Ca -0.40 -0.55 -0.77 0.00 -0.47 0.00 0.00 61.79 59.60 1i4h h SER 189 Cb 1.25 0.02 -0.24 0.00 -0.31 0.00 0.00 62.40 63.12 1i4h h SER 189 CO 0.63 0.66 0.65 0.42 -0.87 0.00 0.00 176.83 178.32 1i4h s THR 190 N -2.56 5.50 0.00 2.95 -4.23 -1.26 -4.88 115.64 111.17 1i4h s THR 190 Ca -0.13 -2.76 0.00 0.00 -1.18 0.00 0.00 61.69 57.62 1i4h s THR 190 Cb -0.01 -4.68 0.00 0.00 1.34 0.00 0.00 72.50 69.15 1i4h s THR 190 CO 0.47 -1.30 0.00 -1.84 -0.54 0.00 0.00 174.62 171.41 1i4h n GLU 191 N 4.26 0.00 -1.04 3.99 0.28 -1.26 -4.98 120.64 121.89 1i4h n GLU 191 Ca 0.25 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.96 1i4h n GLU 191 Cb 0.43 0.00 0.21 0.00 1.43 0.00 0.00 31.44 33.51 1i4h n GLU 191 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1i4h s PRO 192 N -3.22 -0.42 0.72 3.44 0.04 -1.26 -4.45 135.00 129.85 1i4h s PRO 192 Ca 0.00 0.34 -0.04 0.00 0.04 0.00 0.00 61.00 61.34 1i4h s PRO 192 Cb 0.00 -1.65 0.10 0.00 0.04 0.00 0.00 34.50 32.99 1i4h s PRO 192 CO 0.00 -3.27 1.01 -1.12 0.04 0.00 0.00 177.00 173.67 1i4h s SER 193 N -3.47 4.44 -0.18 6.66 0.01 -1.26 -4.58 113.70 115.33 1i4h s SER 193 Ca 0.68 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.95 1i4h s SER 193 Cb -0.17 -0.49 0.04 0.00 0.21 0.00 0.00 66.02 65.61 1i4h s SER 193 CO 0.58 -1.80 -0.08 -0.69 0.41 0.00 0.00 173.24 171.66 1i4h s VAL 194 N -3.22 1.43 -0.38 3.43 1.01 -1.07 -4.98 120.40 116.62 1i4h s VAL 194 Ca 0.64 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 1i4h s VAL 194 Cb -0.07 -1.53 0.08 0.00 0.00 0.00 0.00 36.38 34.85 1i4h s VAL 194 CO 0.45 0.16 0.18 0.20 0.00 0.00 0.00 175.10 176.09 1i4h s ASN 195 N 1.49 5.34 -0.22 3.32 0.01 -1.26 -1.63 114.94 121.99 1i4h s ASN 195 Ca -0.00 -1.59 -0.09 0.00 -0.71 0.00 0.00 52.86 50.47 1i4h s ASN 195 Cb -0.16 -1.87 -0.04 0.00 0.41 0.00 0.00 41.25 39.59 1i4h s ASN 195 CO -0.08 -0.47 0.11 -0.31 -1.51 0.00 0.00 177.10 174.84 1i4h s TYR 196 N 1.30 3.25 -0.08 2.20 4.12 -0.35 -4.94 117.35 122.84 1i4h s TYR 196 Ca 0.03 0.06 -0.30 0.00 0.02 0.00 0.00 57.07 56.88 1i4h s TYR 196 Cb -0.22 -2.20 -0.02 0.00 -1.52 0.00 0.00 41.96 38.00 1i4h s TYR 196 CO -0.00 0.02 1.12 0.34 0.02 0.00 0.00 175.55 177.05 1i4h s ASP 197 N 0.91 7.12 0.00 2.29 3.68 -1.26 -1.24 116.67 128.17 1i4h s ASP 197 Ca 0.06 1.69 0.11 0.00 2.13 0.00 0.00 52.55 56.53 1i4h s ASP 197 Cb -0.13 -2.56 0.49 0.00 -1.45 0.00 0.00 42.92 39.27 1i4h s ASP 197 CO 0.03 -0.54 1.31 0.18 0.13 0.00 0.00 175.17 176.28 1i4h n LEU 198 N 5.20 0.00 -0.51 -1.34 4.77 -0.08 -1.91 117.00 123.13 1i4h n LEU 198 Ca 0.10 0.42 0.06 0.00 -0.03 0.00 0.00 56.01 56.56 1i4h n LEU 198 Cb 0.47 -0.42 0.10 0.00 -2.33 0.00 0.00 43.42 41.24 1i4h n LEU 198 CO 0.54 -0.26 0.37 0.49 -1.33 0.00 0.00 177.39 177.19 1i4h n PHE 199 N -1.42 0.00 -0.54 -1.77 3.01 -1.26 -4.79 117.46 110.69 1i4h n PHE 199 Ca 0.04 -0.77 0.10 0.00 1.01 0.00 0.00 57.45 57.82 1i4h n PHE 199 Cb 0.11 -0.15 0.35 0.00 -0.01 0.00 0.00 39.48 39.79 1i4h n PHE 199 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1i4h n GLY 200 N -0.71 2.66 3.76 1.37 0.00 -0.80 -4.79 105.19 106.69 1i4h n GLY 200 Ca 0.11 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 1i4h n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i4h s ALA 201 N -1.54 3.41 -0.13 4.61 0.00 -1.26 -4.99 121.76 121.86 1i4h s ALA 201 Ca 0.51 0.92 -0.13 0.00 0.00 0.00 0.00 51.96 53.27 1i4h s ALA 201 Cb 0.31 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 1i4h s ALA 201 CO 0.28 -0.20 0.29 -1.14 0.00 0.00 0.00 175.76 174.99 1i4h s GLN 202 N -1.39 4.07 0.00 0.00 -0.44 -1.26 -4.97 119.66 115.67 1i4h s GLN 202 Ca 0.45 0.11 0.00 0.00 -2.50 0.00 0.00 55.36 53.42 1i4h s GLN 202 Cb -0.32 -3.35 0.00 0.00 -1.64 0.00 0.00 33.01 27.69 1i4h s GLN 202 CO 0.42 0.40 0.00 0.41 0.50 0.00 0.00 175.29 177.02 1i4h n GLY 203 N 2.90 -1.36 0.00 2.59 0.00 -1.26 -3.74 105.19 104.32 1i4h n GLY 203 Ca -0.14 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.75 1i4h n GLY 203 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i4h n GLN 204 N -0.03 2.17 -4.39 1.61 6.02 -1.26 -4.73 117.38 116.78 1i4h n GLN 204 Ca 0.00 -0.07 -0.21 0.00 -0.01 0.00 0.00 57.00 56.71 1i4h n GLN 204 Cb 0.00 -0.39 -0.10 0.00 1.02 0.00 0.00 30.24 30.77 1i4h n GLN 204 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1i4h s TYR 205 N -0.33 1.96 0.24 1.08 1.51 -1.26 -3.86 117.35 116.68 1i4h s TYR 205 Ca 0.00 -0.46 -0.05 0.00 -1.01 0.00 0.00 57.07 55.55 1i4h s TYR 205 Cb 0.00 -0.90 0.44 0.00 -0.11 0.00 0.00 41.96 41.39 1i4h s TYR 205 CO 0.00 0.49 1.71 0.77 -1.11 0.00 0.00 175.55 177.41 1i4h h SER 206 N 2.59 0.14 -0.09 2.29 0.02 -1.91 0.86 113.55 117.46 1i4h h SER 206 Ca -0.40 0.12 0.03 0.00 -0.84 0.00 0.00 61.79 60.70 1i4h h SER 206 Cb 1.23 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.90 1i4h h SER 206 CO 0.59 0.04 0.36 -0.55 -1.14 0.00 0.00 176.83 176.13 1i4h h ASN 207 N 0.35 0.00 0.00 3.07 -1.07 -1.97 0.47 115.58 116.43 1i4h h ASN 207 Ca 0.40 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.77 1i4h h ASN 207 Cb 0.64 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.88 1i4h h ASN 207 CO -0.44 0.00 -1.01 0.35 0.07 0.00 0.00 177.43 176.40 1i4h n THR 208 N -3.07 0.01 0.03 6.14 -2.24 -0.43 -4.54 114.28 110.19 1i4h n THR 208 Ca -0.00 -0.01 -0.02 0.00 -2.27 0.00 0.00 64.05 61.75 1i4h n THR 208 Cb 0.43 -0.21 0.24 0.00 -2.10 0.00 0.00 70.33 68.69 1i4h n THR 208 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1i4h h LEU 209 N 0.00 0.42 -2.76 3.22 3.38 0.15 -2.67 115.31 117.06 1i4h h LEU 209 Ca -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1i4h h LEU 209 Cb 0.49 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1i4h h LEU 209 CO 0.00 0.65 0.00 0.18 0.09 0.00 0.00 178.44 179.36 1i4h n LEU 210 N -4.16 4.23 0.00 1.67 4.77 0.08 -4.25 117.00 119.34 1i4h n LEU 210 Ca -0.00 -2.13 0.13 0.00 -0.03 0.00 0.00 56.01 53.98 1i4h n LEU 210 Cb 0.37 -0.54 0.68 0.00 -2.33 0.00 0.00 43.42 41.60 1i4h n LEU 210 CO 0.41 0.72 0.95 -1.14 -1.33 0.00 0.00 177.39 177.00 1i4h n ARG 211 N 0.98 0.42 0.09 3.23 0.63 -1.01 -3.17 116.66 117.83 1i4h n ARG 211 Ca 0.23 0.03 -0.05 0.00 -0.92 0.00 0.00 57.85 57.14 1i4h n ARG 211 Cb 0.79 -1.50 -0.00 0.00 0.45 0.00 0.00 32.46 32.20 1i4h n ARG 211 CO 0.00 0.00 0.00 -0.84 -2.51 0.00 0.00 177.63 174.28 1i4h h ILE 212 N 0.00 1.59 0.00 5.15 3.07 -1.79 -3.07 117.51 122.46 1i4h h ILE 212 Ca 0.00 -2.86 0.00 0.00 1.55 0.00 0.00 64.86 63.55 1i4h h ILE 212 Cb 0.23 2.55 0.00 0.00 -0.27 0.00 0.00 36.82 39.33 1i4h h ILE 212 CO 0.00 0.82 0.00 -1.22 -1.05 0.00 0.00 178.15 176.70 1i4h n TYR 213 N -3.55 0.00 0.22 0.16 0.53 -1.19 -3.96 117.16 109.37 1i4h n TYR 213 Ca -0.01 0.00 0.09 0.00 -1.02 0.00 0.00 57.90 56.96 1i4h n TYR 213 Cb 0.81 -0.45 0.49 0.00 -1.03 0.00 0.00 39.34 39.16 1i4h n TYR 213 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 1i4h h ARG 214 N 0.00 0.00 0.00 -0.72 2.43 -1.70 0.21 114.38 114.60 1i4h h ARG 214 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1i4h h ARG 214 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1i4h h ARG 214 CO 0.00 0.00 -0.12 -0.40 -1.51 0.00 0.00 179.97 177.94 1i4h n ASP 215 N -2.33 0.55 -3.12 -3.80 3.85 -1.25 -2.38 116.55 108.07 1i4h n ASP 215 Ca -0.01 0.44 -0.23 0.00 -0.71 0.00 0.00 54.79 54.28 1i4h n ASP 215 Cb 0.36 -0.52 0.03 0.00 -1.35 0.00 0.00 41.12 39.64 1i4h n ASP 215 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1i4h n ASN 216 N -1.98 -5.88 -4.64 -1.12 5.15 0.72 -4.85 115.26 102.67 1i4h n ASN 216 Ca 0.06 -0.33 -0.50 0.00 -0.60 0.00 0.00 54.58 53.21 1i4h n ASN 216 Cb 0.40 -4.74 -0.05 0.00 -0.53 0.00 0.00 39.78 34.86 1i4h n ASN 216 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1i4h n LYS 217 N -4.10 1.63 -4.62 1.20 3.00 -1.26 -4.88 118.16 109.13 1i4h n LYS 217 Ca -0.09 0.59 -0.30 0.00 -0.00 0.00 0.00 58.31 58.51 1i4h n LYS 217 Cb 0.61 -2.30 -0.13 0.00 0.00 0.00 0.00 35.03 33.21 1i4h n LYS 217 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1i4h s THR 218 N 1.08 2.47 0.08 3.15 2.01 -1.26 -1.59 115.64 121.58 1i4h s THR 218 Ca 0.83 -1.43 -0.06 0.00 0.31 0.00 0.00 61.69 61.34 1i4h s THR 218 Cb -0.83 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 69.62 1i4h s THR 218 CO 0.45 0.25 0.13 0.27 -0.69 0.00 0.00 174.62 175.02 1i4h s ILE 219 N -0.95 0.16 -0.18 1.82 -4.36 0.34 -4.92 121.20 113.11 1i4h s ILE 219 Ca 0.14 -1.39 -0.15 0.00 -0.26 0.00 0.00 60.65 58.99 1i4h s ILE 219 Cb -0.10 -1.43 -0.04 0.00 1.25 0.00 0.00 42.46 42.13 1i4h s ILE 219 CO 0.05 -0.73 0.34 0.21 0.24 0.00 0.00 174.94 175.04 1i4h s ASN 220 N -2.89 6.43 0.39 4.36 3.84 -1.26 -0.67 114.94 125.14 1i4h s ASN 220 Ca 0.07 0.50 0.24 0.00 0.21 0.00 0.00 52.86 53.88 1i4h s ASN 220 Cb 0.06 -2.20 0.46 0.00 -0.55 0.00 0.00 41.25 39.01 1i4h s ASN 220 CO -0.10 0.02 1.65 0.77 -2.79 0.00 0.00 177.10 176.66 1i4h h SER 221 N 7.00 0.00 0.00 -4.21 4.64 -1.46 -3.41 113.55 116.10 1i4h h SER 221 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1i4h h SER 221 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1i4h h SER 221 CO 0.74 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 176.08 1i4h n GLU 222 N -2.90 0.00 -3.44 4.77 -0.58 -1.26 -2.38 120.64 114.85 1i4h n GLU 222 Ca 0.04 0.05 -0.26 0.00 -0.42 0.00 0.00 57.16 56.57 1i4h n GLU 222 Cb 0.51 -0.09 -0.08 0.00 -0.57 0.00 0.00 31.44 31.20 1i4h n GLU 222 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1i4h n ASN 223 N -1.09 2.70 -4.30 1.62 2.85 -1.26 -5.07 115.26 110.70 1i4h n ASN 223 Ca 0.00 -3.20 -0.16 0.00 -0.11 0.00 0.00 54.58 51.10 1i4h n ASN 223 Cb 0.00 -0.67 -0.10 0.00 1.24 0.00 0.00 39.78 40.25 1i4h n ASN 223 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1i4h s MET 224 N -1.95 1.23 0.05 1.20 0.23 -1.00 -3.48 119.30 115.58 1i4h s MET 224 Ca 0.37 -1.58 0.01 0.00 -1.03 0.00 0.00 55.69 53.46 1i4h s MET 224 Cb 0.12 -0.71 -0.00 0.00 -1.53 0.00 0.00 34.83 32.71 1i4h s MET 224 CO -0.06 0.02 0.04 -2.39 -2.03 0.00 0.00 175.02 170.60 1i4h n HIS 225 N -0.33 -0.12 -3.86 3.16 1.44 -0.95 -4.54 115.22 110.03 1i4h n HIS 225 Ca -0.08 -0.45 -0.14 0.00 -2.01 0.00 0.00 57.72 55.05 1i4h n HIS 225 Cb 0.62 0.04 -0.15 0.00 0.12 0.00 0.00 29.99 30.62 1i4h n HIS 225 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1i4h s ILE 226 N -2.20 0.02 -0.12 0.61 1.01 -0.65 -2.95 121.20 116.92 1i4h s ILE 226 Ca 0.06 0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.80 1i4h s ILE 226 Cb 0.00 -0.09 -0.01 0.00 0.01 0.00 0.00 42.46 42.37 1i4h s ILE 226 CO 0.04 0.06 -0.15 -1.81 0.00 0.00 0.00 174.94 173.08 1i4h s ASP 227 N 0.54 3.85 -0.17 3.58 1.01 -0.59 -1.32 116.67 123.57 1i4h s ASP 227 Ca -0.05 -0.37 0.00 0.00 0.71 0.00 0.00 52.55 52.85 1i4h s ASP 227 Cb -0.07 -1.57 0.04 0.00 1.01 0.00 0.00 42.92 42.33 1i4h s ASP 227 CO -0.01 0.17 -0.10 -0.63 0.21 0.00 0.00 175.17 174.81 1i4h s ILE 228 N 0.34 1.43 -0.18 0.77 1.01 -0.00 -0.80 121.20 123.76 1i4h s ILE 228 Ca -0.12 -0.76 -0.06 0.00 0.00 0.00 0.00 60.65 59.71 1i4h s ILE 228 Cb -0.16 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 1i4h s ILE 228 CO 0.06 0.24 0.02 -0.31 0.00 0.00 0.00 174.94 174.95 1i4h s TYR 229 N 1.51 3.12 -0.04 3.97 1.51 -0.33 -0.18 117.35 126.90 1i4h s TYR 229 Ca 0.01 -0.19 0.05 0.00 -1.01 0.00 0.00 57.07 55.94 1i4h s TYR 229 Cb -0.15 -2.06 -0.01 0.00 -0.11 0.00 0.00 41.96 39.64 1i4h s TYR 229 CO -0.09 -0.03 -0.19 -0.51 -1.11 0.00 0.00 175.55 173.63 1i4h s LEU 230 N 0.60 1.97 0.02 -1.29 1.43 0.84 -1.37 118.68 120.88 1i4h s LEU 230 Ca 0.01 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 52.78 1i4h s LEU 230 Cb -0.14 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 45.00 1i4h s LEU 230 CO 0.02 0.19 -0.19 -0.31 0.23 0.00 0.00 176.35 176.29 1i4h s TYR 231 N -0.08 1.65 -0.91 0.29 1.51 -0.74 0.33 117.35 119.39 1i4h s TYR 231 Ca -0.02 -0.34 0.13 0.00 -1.01 0.00 0.00 57.07 55.83 1i4h s TYR 231 Cb -0.11 -1.01 0.40 0.00 -0.11 0.00 0.00 41.96 41.12 1i4h s TYR 231 CO 0.02 0.04 1.33 0.25 -1.11 0.00 0.00 175.55 176.08 1i4h n THR 232 N 2.16 1.26 -0.61 -0.71 -2.24 -1.26 -0.30 114.28 112.57 1i4h n THR 232 Ca -0.16 -1.15 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 1i4h n THR 232 Cb 0.54 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1i4h n THR 232 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96