#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1u n THR 4 N 0.00 0.65 0.82 6.66 -2.24 -1.26 -2.04 114.28 116.86 3i1u n THR 4 Ca 0.00 0.16 0.11 0.00 -2.27 0.00 0.00 64.05 62.05 3i1u n THR 4 Cb 0.00 -0.86 0.04 0.00 -2.10 0.00 0.00 70.33 67.41 3i1u n THR 4 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3i1u n ASN 5 N -1.41 0.68 -0.24 3.42 4.13 -1.26 -3.94 115.26 116.65 3i1u n ASN 5 Ca 0.06 -0.46 0.07 0.00 1.68 0.00 0.00 54.58 55.93 3i1u n ASN 5 Cb 0.18 0.73 -0.02 0.00 -1.54 0.00 0.00 39.78 39.13 3i1u n ASN 5 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3i1u n THR 6 N -1.69 0.00 -2.07 3.41 -2.24 -1.00 -5.02 114.28 105.67 3i1u n THR 6 Ca 0.03 -0.31 -0.41 0.00 -2.27 0.00 0.00 64.05 61.10 3i1u n THR 6 Cb 0.38 1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 69.71 3i1u n THR 6 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3i1u s PHE 7 N -1.86 3.02 -0.61 4.78 5.36 -0.87 -4.92 117.98 122.89 3i1u s PHE 7 Ca 0.10 1.29 -0.22 0.00 -0.96 0.00 0.00 56.93 57.15 3i1u s PHE 7 Cb 0.11 -3.74 0.07 0.00 -0.34 0.00 0.00 43.02 39.13 3i1u s PHE 7 CO 0.40 -2.14 0.86 1.21 -1.46 0.00 0.00 175.22 174.09 3i1u s ASN 8 N -0.20 6.21 0.03 6.13 3.84 -1.26 -4.89 114.94 124.79 3i1u s ASN 8 Ca 0.52 -0.98 0.26 0.00 0.21 0.00 0.00 52.86 52.87 3i1u s ASN 8 Cb -0.41 -2.38 1.07 0.00 -0.55 0.00 0.00 41.25 38.98 3i1u s ASN 8 CO 0.50 -1.26 1.82 -1.22 -2.79 0.00 0.00 177.10 174.15 3i1u n TYR 9 N 7.15 0.14 -1.01 0.43 4.01 -1.26 -3.63 117.16 123.01 3i1u n TYR 9 Ca -0.05 0.04 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 3i1u n TYR 9 Cb 0.45 -0.57 0.34 0.00 -0.31 0.00 0.00 39.34 39.25 3i1u n TYR 9 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i1u n ALA 10 N -1.55 4.27 -2.22 -0.72 0.00 -1.26 -4.61 120.51 114.42 3i1u n ALA 10 Ca 0.06 -2.22 -0.07 0.00 0.00 0.00 0.00 53.44 51.21 3i1u n ALA 10 Cb 0.32 -1.17 -0.10 0.00 0.00 0.00 0.00 19.45 18.50 3i1u n ALA 10 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3i1u s THR 11 N -2.92 0.20 0.23 0.00 -1.32 -1.24 -4.53 115.64 106.07 3i1u s THR 11 Ca 0.54 -1.66 -0.26 0.00 -1.21 0.00 0.00 61.69 59.11 3i1u s THR 11 Cb 0.43 -1.41 -0.09 0.00 -1.51 0.00 0.00 72.50 69.92 3i1u s THR 11 CO 0.14 -0.92 0.85 -0.31 -2.21 0.00 0.00 174.62 172.17 3i1u s TYR 12 N -3.73 3.84 0.32 9.09 2.02 -1.26 -5.03 117.35 122.60 3i1u s TYR 12 Ca 0.05 1.70 0.10 0.00 -0.37 0.00 0.00 57.07 58.55 3i1u s TYR 12 Cb 0.06 -2.83 -0.06 0.00 -0.40 0.00 0.00 41.96 38.74 3i1u s TYR 12 CO -0.09 0.41 -0.09 -1.01 -1.57 0.00 0.00 175.55 173.19 3i1u s HIS 13 N -1.32 2.43 0.71 2.71 3.76 -1.26 -5.15 115.29 117.17 3i1u s HIS 13 Ca 0.41 -0.42 -0.08 0.00 -0.15 0.00 0.00 55.06 54.81 3i1u s HIS 13 Cb -0.22 -1.30 0.05 0.00 1.11 0.00 0.00 32.58 32.22 3i1u s HIS 13 CO 0.26 0.59 1.05 0.95 -0.85 0.00 0.00 174.74 176.74 3i1u s THR 14 N -2.54 2.59 0.15 1.30 -4.23 -1.26 -4.93 115.64 106.71 3i1u s THR 14 Ca 0.32 -0.06 -0.18 0.00 -1.18 0.00 0.00 61.69 60.59 3i1u s THR 14 Cb -0.01 -3.14 0.02 0.00 1.34 0.00 0.00 72.50 70.71 3i1u s THR 14 CO 0.17 -0.16 1.71 0.25 -0.54 0.00 0.00 174.62 176.05 3i1u h LEU 15 N -0.65 -0.15 -1.02 4.79 5.85 -1.97 -2.09 115.31 120.07 3i1u h LEU 15 Ca -0.45 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 3i1u h LEU 15 Cb 1.30 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.42 3i1u h LEU 15 CO 0.62 -0.04 0.56 0.44 -0.34 0.00 0.00 178.44 179.68 3i1u h ASP 16 N 0.07 1.08 -0.34 1.25 3.32 -1.99 -0.65 116.42 119.15 3i1u h ASP 16 Ca 0.14 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 3i1u h ASP 16 Cb 0.19 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3i1u h ASP 16 CO -0.25 0.82 -0.00 -0.33 -1.72 0.00 0.00 179.24 177.76 3i1u h GLU 17 N 1.25 0.71 -0.16 3.56 5.08 -1.87 0.07 114.58 123.22 3i1u h GLU 17 Ca 0.33 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 58.35 3i1u h GLU 17 Cb -0.07 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.10 3i1u h GLU 17 CO -0.06 0.73 -0.52 0.82 -1.00 0.00 0.00 179.01 178.97 3i1u h ILE 18 N 0.67 1.33 -0.72 3.13 2.04 -0.81 -1.44 117.51 121.71 3i1u h ILE 18 Ca 0.13 -1.78 -0.03 0.00 1.00 0.00 0.00 64.86 64.18 3i1u h ILE 18 Cb 0.42 2.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.48 3i1u h ILE 18 CO 0.02 0.55 0.32 1.88 0.00 0.00 0.00 178.15 180.92 3i1u h TYR 19 N 0.29 1.07 -0.72 1.37 -1.99 -1.02 -1.88 116.97 114.10 3i1u h TYR 19 Ca -0.02 -0.07 0.02 0.00 2.00 0.00 0.00 58.73 60.66 3i1u h TYR 19 Cb 1.15 -0.33 -0.04 0.00 2.00 0.00 0.00 36.73 39.51 3i1u h TYR 19 CO 0.10 0.81 0.46 -0.44 -0.00 0.00 0.00 178.16 179.09 3i1u h ASP 20 N 1.03 0.77 -0.68 3.88 3.32 -0.96 -2.39 116.42 121.38 3i1u h ASP 20 Ca 0.25 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.36 3i1u h ASP 20 Cb 0.16 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.48 3i1u h ASP 20 CO -0.03 0.54 0.36 0.15 -1.72 0.00 0.00 179.24 178.55 3i1u h PHE 21 N 0.91 0.66 -0.51 4.55 3.04 -0.74 -0.87 116.94 123.99 3i1u h PHE 21 Ca 0.28 0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.29 3i1u h PHE 21 Cb -0.03 -0.20 -0.04 0.00 2.56 0.00 0.00 35.95 38.25 3i1u h PHE 21 CO -0.03 0.29 0.28 0.52 -2.02 0.00 0.00 178.31 177.34 3i1u h MET 22 N 0.65 0.52 -0.76 1.11 2.86 -0.87 -0.85 114.93 117.60 3i1u h MET 22 Ca 0.31 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.88 3i1u h MET 22 Cb 0.25 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 3i1u h MET 22 CO -0.21 0.35 0.31 -0.44 1.06 0.00 0.00 176.91 177.98 3i1u h ASP 23 N 0.54 1.04 -0.57 1.22 3.32 -1.00 -1.61 116.42 119.35 3i1u h ASP 23 Ca 0.22 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3i1u h ASP 23 Cb 0.10 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 3i1u h ASP 23 CO -0.14 0.92 0.22 -0.07 -1.72 0.00 0.00 179.24 178.46 3i1u h LEU 24 N 1.09 0.80 -0.54 1.55 3.38 -0.75 -1.01 115.31 119.84 3i1u h LEU 24 Ca 0.25 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3i1u h LEU 24 Cb 0.20 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3i1u h LEU 24 CO -0.02 0.75 0.08 0.25 0.09 0.00 0.00 178.44 179.59 3i1u h LEU 25 N 0.79 0.85 -0.67 1.67 5.85 -0.90 -1.50 115.31 121.40 3i1u h LEU 25 Ca 0.19 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 3i1u h LEU 25 Cb 0.21 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3i1u h LEU 25 CO -0.01 0.90 0.19 0.58 -0.34 0.00 0.00 178.44 179.76 3i1u h VAL 26 N 0.78 1.25 -0.64 1.05 2.07 -1.19 -0.70 116.25 118.87 3i1u h VAL 26 Ca 0.16 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 3i1u h VAL 26 Cb 0.41 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3i1u h VAL 26 CO 0.01 0.34 0.22 0.00 0.02 0.00 0.00 177.57 178.17 3i1u h ALA 27 N 1.08 1.19 0.01 1.67 0.00 -0.94 -2.88 119.26 119.38 3i1u h ALA 27 Ca 0.21 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 3i1u h ALA 27 Cb 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3i1u h ALA 27 CO -0.00 0.57 -0.90 1.49 0.00 0.00 0.00 179.25 180.41 3i1u h GLU 28 N 0.93 0.23 -2.02 0.00 4.81 -1.08 -3.38 114.58 114.06 3i1u h GLU 28 Ca 0.21 -0.26 -0.54 0.00 -0.13 0.00 0.00 59.36 58.65 3i1u h GLU 28 Cb 0.23 0.08 -0.41 0.00 0.63 0.00 0.00 28.75 29.27 3i1u h GLU 28 CO -0.01 0.99 -0.88 0.72 -0.73 0.00 0.00 179.01 179.10 3i1u n HIS 29 N -3.66 2.49 0.29 0.92 8.25 -0.29 -4.93 115.22 118.28 3i1u n HIS 29 Ca -0.04 -3.76 0.16 0.00 -0.26 0.00 0.00 57.72 53.82 3i1u n HIS 29 Cb 0.82 -0.42 0.88 0.00 1.12 0.00 0.00 29.99 32.40 3i1u n HIS 29 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3i1u h PRO 30 N 2.95 0.00 -0.00 -0.41 0.13 -1.71 -1.31 132.00 131.65 3i1u h PRO 30 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3i1u h PRO 30 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3i1u h PRO 30 CO 0.69 0.05 -0.07 1.04 -0.23 0.00 0.00 178.00 179.48 3i1u n GLN 31 N -3.56 0.53 0.00 0.86 1.13 -1.26 -4.28 117.38 110.80 3i1u n GLN 31 Ca -0.02 -0.11 0.00 0.00 -1.94 0.00 0.00 57.00 54.92 3i1u n GLN 31 Cb 0.16 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.01 3i1u n GLN 31 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3i1u n LEU 32 N -1.14 1.02 -4.13 1.08 7.94 -0.69 -4.73 117.00 116.35 3i1u n LEU 32 Ca 0.14 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.77 3i1u n LEU 32 Cb 0.26 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.05 3i1u n LEU 32 CO 0.24 0.17 -0.51 -0.69 -1.11 0.00 0.00 177.39 175.49 3i1u s VAL 33 N -1.78 1.51 0.15 1.96 1.01 -0.58 -1.31 120.40 121.36 3i1u s VAL 33 Ca 0.00 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.31 3i1u s VAL 33 Cb 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 3i1u s VAL 33 CO 0.00 0.44 -0.11 -0.94 0.00 0.00 0.00 175.10 174.48 3i1u s SER 34 N 0.30 1.95 -0.24 3.32 1.04 -0.48 -4.58 113.70 115.00 3i1u s SER 34 Ca -0.11 -0.98 -0.05 0.00 0.48 0.00 0.00 55.95 55.30 3i1u s SER 34 Cb -0.14 -0.04 -0.01 0.00 0.10 0.00 0.00 66.02 65.93 3i1u s SER 34 CO 0.04 -0.27 0.01 -0.75 0.98 0.00 0.00 173.24 173.25 3i1u s LYS 35 N -3.53 3.37 -0.07 4.02 2.20 -1.26 -0.89 119.74 123.58 3i1u s LYS 35 Ca 0.16 -0.65 -0.01 0.00 -0.36 0.00 0.00 55.97 55.11 3i1u s LYS 35 Cb 0.01 -3.17 -0.03 0.00 -1.51 0.00 0.00 37.83 33.13 3i1u s LYS 35 CO 0.02 -0.25 0.00 -0.51 -0.36 0.00 0.00 175.35 174.25 3i1u s LEU 36 N 1.51 3.56 -0.32 5.43 1.43 0.29 -4.96 118.68 125.62 3i1u s LEU 36 Ca 0.05 0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 3i1u s LEU 36 Cb -0.15 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 3i1u s LEU 36 CO -0.00 0.36 0.18 -1.58 0.23 0.00 0.00 176.35 175.54 3i1u s GLN 37 N -0.98 3.38 0.00 1.70 0.74 -1.26 -0.75 119.66 122.49 3i1u s GLN 37 Ca 0.14 -0.70 0.23 0.00 0.05 0.00 0.00 55.36 55.08 3i1u s GLN 37 Cb -0.11 -3.64 0.09 0.00 1.10 0.00 0.00 33.01 30.44 3i1u s GLN 37 CO 0.03 -0.43 1.15 0.44 -0.55 0.00 0.00 175.29 175.94 3i1u n ILE 38 N 5.02 0.00 -2.81 -2.34 -5.35 -0.37 -5.01 119.36 108.50 3i1u n ILE 38 Ca -0.13 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 3i1u n ILE 38 Cb 0.49 1.37 0.00 0.00 -1.74 0.00 0.00 39.64 39.76 3i1u n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i1u n GLY 39 N 1.35 -1.58 3.31 3.28 0.00 -1.25 -4.77 105.19 105.53 3i1u n GLY 39 Ca 0.11 -1.12 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 3i1u n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1u s ARG 40 N -1.50 1.60 1.06 1.61 1.81 -1.26 -1.22 118.95 121.04 3i1u s ARG 40 Ca 0.00 -1.07 -0.13 0.00 -1.72 0.00 0.00 55.73 52.80 3i1u s ARG 40 Cb 0.00 -1.79 0.22 0.00 -0.45 0.00 0.00 34.95 32.94 3i1u s ARG 40 CO 0.00 0.46 1.08 -1.54 -0.68 0.00 0.00 175.30 174.62 3i1u s SER 41 N -1.31 2.06 0.24 0.23 1.04 0.73 -4.67 113.70 112.03 3i1u s SER 41 Ca 0.10 1.15 -0.05 0.00 0.48 0.00 0.00 55.95 57.63 3i1u s SER 41 Cb -0.10 -1.79 0.42 0.00 0.10 0.00 0.00 66.02 64.66 3i1u s SER 41 CO 0.02 -3.48 1.72 0.22 0.98 0.00 0.00 173.24 172.70 3i1u h TYR 42 N -2.13 0.40 -0.05 5.02 3.20 -1.96 -0.70 116.97 120.75 3i1u h TYR 42 Ca -0.55 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.36 3i1u h TYR 42 Cb 1.33 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.53 3i1u h TYR 42 CO 0.01 0.01 0.00 0.39 -1.64 0.00 0.00 178.16 176.94 3i1u n GLU 43 N -5.06 1.41 -0.07 1.82 1.02 -1.26 -4.91 120.64 113.60 3i1u n GLU 43 Ca 0.13 -0.61 0.00 0.00 -0.02 0.00 0.00 57.16 56.66 3i1u n GLU 43 Cb 0.40 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 3i1u n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i1u n GLY 44 N 1.06 0.97 3.80 0.62 0.00 -0.27 -5.08 105.19 106.28 3i1u n GLY 44 Ca 0.19 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3i1u n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1u s ARG 45 N -0.73 4.36 0.41 1.61 0.52 -1.26 -4.73 118.95 119.13 3i1u s ARG 45 Ca 0.00 1.23 -0.25 0.00 -0.52 0.00 0.00 55.73 56.19 3i1u s ARG 45 Cb 0.00 -2.45 -0.08 0.00 0.52 0.00 0.00 34.95 32.94 3i1u s ARG 45 CO 0.00 0.08 1.17 -1.25 0.02 0.00 0.00 175.30 175.32 3i1u s PRO 46 N -2.68 3.99 -0.30 3.54 0.04 -1.26 -0.19 135.00 138.14 3i1u s PRO 46 Ca 0.57 1.83 -0.09 0.00 0.04 0.00 0.00 61.00 63.35 3i1u s PRO 46 Cb -0.14 -2.62 -0.01 0.00 0.04 0.00 0.00 34.50 31.77 3i1u s PRO 46 CO 0.18 -0.37 0.13 0.42 0.04 0.00 0.00 177.00 177.40 3i1u s ILE 47 N -1.44 4.46 -0.08 0.56 1.01 -0.36 -4.78 121.20 120.57 3i1u s ILE 47 Ca 0.58 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.83 3i1u s ILE 47 Cb -0.30 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 3i1u s ILE 47 CO 0.38 0.12 -0.08 -0.31 0.00 0.00 0.00 174.94 175.04 3i1u s TYR 48 N 1.60 2.90 -0.08 3.97 2.02 -1.26 -1.24 117.35 125.26 3i1u s TYR 48 Ca 0.05 -0.10 0.03 0.00 -0.37 0.00 0.00 57.07 56.68 3i1u s TYR 48 Cb -0.17 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.66 3i1u s TYR 48 CO 0.05 0.22 -0.19 0.08 -1.57 0.00 0.00 175.55 174.14 3i1u s VAL 49 N -0.56 1.66 -0.16 0.71 1.01 0.07 -4.38 120.40 118.76 3i1u s VAL 49 Ca 0.08 -0.79 -0.22 0.00 0.00 0.00 0.00 61.98 61.05 3i1u s VAL 49 Cb -0.12 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 3i1u s VAL 49 CO 0.02 0.47 0.66 -0.76 0.00 0.00 0.00 175.10 175.49 3i1u s LEU 50 N 0.43 4.20 -0.28 3.92 1.43 0.05 -0.55 118.68 127.88 3i1u s LEU 50 Ca -0.16 0.95 -0.11 0.00 -1.03 0.00 0.00 54.13 53.78 3i1u s LEU 50 Cb -0.17 -2.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.05 3i1u s LEU 50 CO 0.06 -0.23 0.19 -0.75 0.23 0.00 0.00 176.35 175.86 3i1u s LYS 51 N 1.57 3.95 -0.25 1.70 2.20 -0.07 -0.83 119.74 128.02 3i1u s LYS 51 Ca 0.32 -0.31 -0.08 0.00 -0.36 0.00 0.00 55.97 55.53 3i1u s LYS 51 Cb -0.16 -3.66 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 3i1u s LYS 51 CO 0.12 -0.18 0.10 -0.06 -0.36 0.00 0.00 175.35 174.97 3i1u s PHE 52 N 1.75 3.13 -0.18 4.03 0.40 0.32 -1.38 117.98 126.06 3i1u s PHE 52 Ca 0.07 -0.23 -0.21 0.00 -0.60 0.00 0.00 56.93 55.95 3i1u s PHE 52 Cb -0.16 -2.25 0.06 0.00 0.51 0.00 0.00 43.02 41.17 3i1u s PHE 52 CO 0.11 -0.25 0.58 0.45 0.70 0.00 0.00 175.22 176.80 3i1u s SER 53 N 1.51 -0.58 0.00 1.36 0.15 -0.43 -1.43 113.70 114.28 3i1u s SER 53 Ca 0.06 1.03 0.23 0.00 0.70 0.00 0.00 55.95 57.96 3i1u s SER 53 Cb -0.15 1.03 0.20 0.00 -1.71 0.00 0.00 66.02 65.40 3i1u s SER 53 CO 0.05 -0.28 1.24 0.35 1.20 0.00 0.00 173.24 175.80 3i1u n THR 54 N 2.39 0.05 0.00 6.45 -2.24 -1.26 -4.34 114.28 115.33 3i1u n THR 54 Ca -0.15 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3i1u n THR 54 Cb 0.56 1.42 0.00 0.00 -2.10 0.00 0.00 70.33 70.22 3i1u n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1u n GLY 55 N 1.30 0.63 3.83 3.38 0.00 -1.26 -5.10 105.19 107.97 3i1u n GLY 55 Ca 0.14 -1.51 0.06 0.00 0.00 0.00 0.00 46.02 44.71 3i1u n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1u n GLY 56 N 0.00 -1.76 2.87 -0.02 0.00 -1.26 -4.81 105.19 100.21 3i1u n GLY 56 Ca 0.00 -1.25 -0.20 0.00 0.00 0.00 0.00 46.02 44.57 3i1u n GLY 56 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i1u s SER 57 N -4.48 0.95 -1.55 1.61 0.15 -1.26 -4.84 113.70 104.28 3i1u s SER 57 Ca 0.00 -0.11 -0.13 0.00 0.70 0.00 0.00 55.95 56.41 3i1u s SER 57 Cb 0.00 -0.41 0.09 0.00 -1.71 0.00 0.00 66.02 63.99 3i1u s SER 57 CO 0.00 -0.08 0.90 -3.20 1.20 0.00 0.00 173.24 172.06 3i1u n ASN 58 N 4.20 -4.01 -4.72 5.45 5.15 -1.26 -4.92 115.26 115.15 3i1u n ASN 58 Ca -0.23 -0.84 -0.36 0.00 -0.60 0.00 0.00 54.58 52.55 3i1u n ASN 58 Cb 0.51 -3.63 0.08 0.00 -0.53 0.00 0.00 39.78 36.21 3i1u n ASN 58 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3i1u s ARG 59 N -6.63 2.37 0.32 1.20 0.52 -1.26 -4.89 118.95 110.57 3i1u s ARG 59 Ca 0.60 2.03 -0.28 0.00 -0.52 0.00 0.00 55.73 57.55 3i1u s ARG 59 Cb -0.31 -1.83 -0.13 0.00 0.52 0.00 0.00 34.95 33.20 3i1u s ARG 59 CO 0.85 -1.73 1.09 -2.30 0.02 0.00 0.00 175.30 173.24 3i1u n PRO 60 N -2.16 1.59 -4.16 3.54 -0.02 -1.26 -4.59 135.00 127.94 3i1u n PRO 60 Ca 0.16 0.56 -0.15 0.00 -2.02 0.00 0.00 63.50 62.04 3i1u n PRO 60 Cb 0.48 -2.00 -0.11 0.00 -0.02 0.00 0.00 33.50 31.85 3i1u n PRO 60 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i1u s ALA 61 N -1.09 1.05 -0.19 3.55 0.00 -0.52 -1.71 121.76 122.84 3i1u s ALA 61 Ca 0.58 -1.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.42 3i1u s ALA 61 Cb -0.65 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 3i1u s ALA 61 CO 0.60 0.02 -0.01 0.42 0.00 0.00 0.00 175.76 176.80 3i1u s ILE 62 N -1.94 3.86 -0.16 0.00 -1.09 -0.20 -0.37 121.20 121.30 3i1u s ILE 62 Ca 0.01 -0.35 -0.13 0.00 -2.23 0.00 0.00 60.65 57.96 3i1u s ILE 62 Cb -0.06 -2.74 -0.05 0.00 -1.58 0.00 0.00 42.46 38.04 3i1u s ILE 62 CO 0.01 0.44 0.25 0.86 -1.23 0.00 0.00 174.94 175.27 3i1u s TRP 63 N 0.94 3.48 -0.09 3.97 -0.11 -0.41 -0.67 118.94 126.05 3i1u s TRP 63 Ca 0.01 0.56 -0.01 0.00 1.22 0.00 0.00 56.10 57.87 3i1u s TRP 63 Cb -0.14 -2.27 0.03 0.00 -1.50 0.00 0.00 33.47 29.58 3i1u s TRP 63 CO 0.02 0.31 -0.01 0.42 -4.62 0.00 0.00 176.95 173.06 3i1u s ILE 64 N 0.24 0.54 0.10 5.86 1.01 0.01 -0.39 121.20 128.57 3i1u s ILE 64 Ca 0.15 -0.02 0.09 0.00 0.00 0.00 0.00 60.65 60.86 3i1u s ILE 64 Cb -0.13 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 3i1u s ILE 64 CO 0.03 0.25 -0.18 1.51 0.00 0.00 0.00 174.94 176.55 3i1u s ASP 65 N 1.90 3.85 0.07 3.58 1.47 -0.17 -0.58 116.67 126.79 3i1u s ASP 65 Ca 0.05 -0.53 0.01 0.00 1.18 0.00 0.00 52.55 53.26 3i1u s ASP 65 Cb -0.13 -0.55 -0.03 0.00 -0.34 0.00 0.00 42.92 41.87 3i1u s ASP 65 CO -0.06 0.20 -0.06 -0.76 0.68 0.00 0.00 175.17 175.16 3i1u s LEU 66 N -1.97 2.40 -1.05 2.11 1.02 0.03 -0.41 118.68 120.80 3i1u s LEU 66 Ca 0.17 -0.81 0.00 0.00 0.02 0.00 0.00 54.13 53.51 3i1u s LEU 66 Cb -0.11 -0.04 0.00 0.00 0.02 0.00 0.00 46.19 46.06 3i1u s LEU 66 CO 0.09 -0.39 0.00 0.61 0.02 0.00 0.00 176.35 176.68 3i1u n GLY 67 N 0.63 0.89 0.27 -3.19 0.00 -1.24 -1.42 105.19 101.12 3i1u n GLY 67 Ca -0.17 -0.53 0.04 0.00 0.00 0.00 0.00 46.02 45.36 3i1u n GLY 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3i1u h ILE 68 N 0.00 1.13 -3.62 -0.61 2.10 -1.89 -2.99 117.51 111.63 3i1u h ILE 68 Ca -0.22 -0.48 -0.69 0.00 1.08 0.00 0.00 64.86 64.55 3i1u h ILE 68 Cb 0.80 0.95 -0.23 0.00 -1.09 0.00 0.00 36.82 37.24 3i1u h ILE 68 CO 0.31 0.16 -0.54 -1.00 -1.08 0.00 0.00 178.15 176.00 3i1u s HIS 69 N -5.02 3.21 0.33 2.19 3.76 -1.26 -4.57 115.29 113.93 3i1u s HIS 69 Ca -0.06 -0.77 0.02 0.00 -0.15 0.00 0.00 55.06 54.10 3i1u s HIS 69 Cb 0.16 -2.39 0.57 0.00 1.11 0.00 0.00 32.58 32.03 3i1u s HIS 69 CO 0.72 -0.55 1.91 0.66 -0.85 0.00 0.00 174.74 176.64 3i1u h SER 70 N 8.39 0.64 0.51 1.40 4.64 -1.65 -2.41 113.55 125.08 3i1u h SER 70 Ca -0.29 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3i1u h SER 70 Cb 1.13 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3i1u h SER 70 CO 0.64 0.60 0.00 -2.11 -0.87 0.00 0.00 176.83 175.09 3i1u n ARG 71 N -4.34 0.07 -1.75 4.77 1.85 -0.40 -4.21 116.66 112.65 3i1u n ARG 71 Ca 0.04 0.34 -0.41 0.00 -1.00 0.00 0.00 57.85 56.82 3i1u n ARG 71 Cb 0.17 -1.63 -0.01 0.00 -1.05 0.00 0.00 32.46 29.93 3i1u n ARG 71 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3i1u n GLU 72 N -1.76 3.69 0.16 2.89 1.02 -0.91 -4.78 120.64 120.95 3i1u n GLU 72 Ca 0.03 -2.83 0.11 0.00 -0.02 0.00 0.00 57.16 54.45 3i1u n GLU 72 Cb 0.17 -2.90 0.63 0.00 -0.02 0.00 0.00 31.44 29.32 3i1u n GLU 72 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 3i1u h TRP 73 N 5.28 0.05 -0.14 -0.32 4.06 -1.79 0.40 115.95 123.50 3i1u h TRP 73 Ca 0.68 0.00 0.04 0.00 2.06 0.00 0.00 58.89 61.67 3i1u h TRP 73 Cb 0.44 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.57 3i1u h TRP 73 CO 1.60 0.03 0.13 0.97 -3.56 0.00 0.00 178.44 177.61 3i1u h ILE 74 N 0.05 0.65 -0.02 1.49 6.09 -1.86 -2.64 117.51 121.27 3i1u h ILE 74 Ca 0.09 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.56 3i1u h ILE 74 Cb 0.30 0.90 0.00 0.00 0.47 0.00 0.00 36.82 38.50 3i1u h ILE 74 CO -0.01 0.00 -0.06 0.71 -3.07 0.00 0.00 178.15 175.72 3i1u h THR 75 N 0.00 1.50 -0.80 2.19 1.35 -1.26 -0.82 112.91 115.08 3i1u h THR 75 Ca 0.07 -1.56 -0.01 0.00 -0.55 0.00 0.00 66.41 64.35 3i1u h THR 75 Cb 0.33 2.51 -0.04 0.00 -1.73 0.00 0.00 68.15 69.22 3i1u h THR 75 CO -0.00 0.42 0.44 1.56 -0.25 0.00 0.00 175.52 177.69 3i1u h GLN 76 N -0.55 1.10 -0.70 4.72 7.50 -1.65 -0.13 115.11 125.40 3i1u h GLN 76 Ca -0.00 -0.12 -0.05 0.00 0.50 0.00 0.00 58.65 58.97 3i1u h GLN 76 Cb 0.71 -0.22 -0.03 0.00 0.05 0.00 0.00 27.48 27.99 3i1u h GLN 76 CO 0.01 0.80 0.23 0.00 -1.50 0.00 0.00 178.83 178.38 3i1u h ALA 77 N 1.37 0.91 -0.48 3.87 0.00 -1.47 -1.85 119.26 121.61 3i1u h ALA 77 Ca 0.28 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3i1u h ALA 77 Cb 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3i1u h ALA 77 CO -0.05 0.58 -0.03 1.15 0.00 0.00 0.00 179.25 180.91 3i1u h THR 78 N 1.02 1.25 -0.56 0.00 2.02 -0.69 -2.61 112.91 113.34 3i1u h THR 78 Ca 0.23 -1.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 3i1u h THR 78 Cb 0.28 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3i1u h THR 78 CO -0.01 0.37 0.34 1.23 0.37 0.00 0.00 175.52 177.82 3i1u h GLY 79 N 0.98 0.81 0.98 2.16 0.00 -0.50 0.52 103.07 108.02 3i1u h GLY 79 Ca 0.14 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.15 3i1u h GLY 79 CO 0.03 0.32 0.25 -2.08 0.00 0.00 0.00 176.54 175.05 3i1u h VAL 80 N 0.75 1.08 -0.53 4.60 2.07 -1.27 -1.57 116.25 121.38 3i1u h VAL 80 Ca 0.20 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 3i1u h VAL 80 Cb -0.02 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 3i1u h VAL 80 CO -0.04 0.09 0.30 -0.25 0.02 0.00 0.00 177.57 177.70 3i1u h TRP 81 N 0.50 0.71 -0.43 1.57 7.01 -1.11 -2.54 115.95 121.66 3i1u h TRP 81 Ca 0.14 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.20 3i1u h TRP 81 Cb -0.04 -0.23 -0.06 0.00 -2.10 0.00 0.00 29.16 26.73 3i1u h TRP 81 CO -0.06 0.51 0.07 0.74 -2.79 0.00 0.00 178.44 176.92 3i1u h PHE 82 N 0.71 0.12 -0.47 2.65 -1.00 -0.68 -0.39 116.94 117.87 3i1u h PHE 82 Ca 0.19 0.03 0.03 0.00 2.81 0.00 0.00 57.97 61.03 3i1u h PHE 82 Cb 0.02 0.01 -0.04 0.00 3.61 0.00 0.00 35.95 39.56 3i1u h PHE 82 CO -0.02 -0.01 0.25 0.00 -1.61 0.00 0.00 178.31 176.93 3i1u h ALA 83 N 1.34 0.60 -0.42 2.45 0.00 -0.91 0.05 119.26 122.37 3i1u h ALA 83 Ca 0.21 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3i1u h ALA 83 Cb 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3i1u h ALA 83 CO -0.29 -0.08 0.04 -0.22 0.00 0.00 0.00 179.25 178.70 3i1u h LYS 84 N 0.51 0.71 -0.74 0.00 1.63 -1.20 -3.08 116.57 114.39 3i1u h LYS 84 Ca 0.20 -0.21 0.05 0.00 -0.85 0.00 0.00 60.65 59.84 3i1u h LYS 84 Cb 0.07 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.58 3i1u h LYS 84 CO -0.12 0.77 0.45 -0.22 -3.45 0.00 0.00 179.45 176.87 3i1u h LYS 85 N 0.55 0.82 -0.65 1.90 1.63 -0.44 -1.91 116.57 118.47 3i1u h LYS 85 Ca 0.12 -0.05 0.07 0.00 -0.85 0.00 0.00 60.65 59.94 3i1u h LYS 85 Cb 0.42 -0.19 -0.06 0.00 -0.60 0.00 0.00 32.23 31.81 3i1u h LYS 85 CO 0.01 0.54 0.34 0.74 -3.45 0.00 0.00 179.45 177.63 3i1u h PHE 86 N 0.84 0.61 0.00 1.91 0.04 -0.92 -0.22 116.94 119.21 3i1u h PHE 86 Ca 0.31 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 61.04 3i1u h PHE 86 Cb 0.11 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 3i1u h PHE 86 CO -0.05 0.26 -0.36 1.79 -0.60 0.00 0.00 178.31 179.35 3i1u h THR 87 N 0.61 0.95 0.10 -1.55 1.35 -1.34 -2.28 112.91 110.76 3i1u h THR 87 Ca 0.30 -1.40 -0.29 0.00 -0.55 0.00 0.00 66.41 64.48 3i1u h THR 87 Cb 0.25 1.83 0.02 0.00 -1.73 0.00 0.00 68.15 68.52 3i1u h THR 87 CO -0.21 0.35 -1.20 -0.33 -0.25 0.00 0.00 175.52 173.87 3i1u h GLU 88 N 0.00 0.58 0.00 4.72 5.08 -0.61 -3.37 114.58 120.98 3i1u h GLU 88 Ca -0.00 -0.76 -0.01 0.00 -1.00 0.00 0.00 59.36 57.58 3i1u h GLU 88 Cb 0.80 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 3i1u h GLU 88 CO 0.05 1.34 -0.93 -0.44 -1.00 0.00 0.00 179.01 178.02 3i1u h ASP 89 N 0.26 0.00 -2.65 1.42 5.19 -0.98 -3.42 116.42 116.24 3i1u h ASP 89 Ca -0.17 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.70 3i1u h ASP 89 Cb 1.88 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.39 3i1u h ASP 89 CO 0.23 0.05 1.05 -0.47 -3.12 0.00 0.00 179.24 176.98 3i1u s TYR 90 N -3.31 2.14 0.00 4.55 5.04 -0.86 -1.18 117.35 123.73 3i1u s TYR 90 Ca 0.00 0.25 0.00 0.00 -2.44 0.00 0.00 57.07 54.88 3i1u s TYR 90 Cb 0.09 -3.92 0.00 0.00 0.35 0.00 0.00 41.96 38.48 3i1u s TYR 90 CO 0.78 -3.80 0.00 0.41 -1.34 0.00 0.00 175.55 171.60 3i1u n GLY 91 N 4.07 0.74 1.20 8.97 0.00 -1.26 -4.87 105.19 114.03 3i1u n GLY 91 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3i1u n GLY 91 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i1u n GLN 92 N -2.04 0.00 -2.90 1.61 1.13 -0.39 -5.01 117.38 109.78 3i1u n GLN 92 Ca 0.00 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.65 3i1u n GLN 92 Cb 0.00 -0.41 -0.04 0.00 0.11 0.00 0.00 30.24 29.90 3i1u n GLN 92 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3i1u s ASP 93 N -5.32 6.89 0.19 1.08 2.15 -0.32 -4.97 116.67 116.35 3i1u s ASP 93 Ca 0.00 1.09 -0.12 0.00 0.43 0.00 0.00 52.55 53.95 3i1u s ASP 93 Cb 0.00 -2.44 0.18 0.00 -0.30 0.00 0.00 42.92 40.36 3i1u s ASP 93 CO 0.00 -0.45 1.74 -0.65 -0.17 0.00 0.00 175.17 175.64 3i1u h PRO 94 N 7.50 0.33 -0.02 4.34 0.11 -1.95 -1.02 132.00 141.29 3i1u h PRO 94 Ca -0.26 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 3i1u h PRO 94 Cb 1.11 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3i1u h PRO 94 CO 0.85 0.22 0.00 1.03 -0.21 0.00 0.00 178.00 179.89 3i1u h SER 95 N 0.34 0.03 -0.24 -2.05 0.87 -1.96 -1.84 113.55 108.70 3i1u h SER 95 Ca 0.25 -0.23 -0.07 0.00 -1.23 0.00 0.00 61.79 60.51 3i1u h SER 95 Cb 0.28 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 3i1u h SER 95 CO -0.26 0.25 -0.06 0.15 -0.53 0.00 0.00 176.83 176.37 3i1u h PHE 96 N -0.20 0.63 -0.47 2.24 3.57 -1.88 -1.80 116.94 119.03 3i1u h PHE 96 Ca 0.01 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.42 3i1u h PHE 96 Cb 0.23 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3i1u h PHE 96 CO 0.00 0.65 0.31 1.15 -2.23 0.00 0.00 178.31 178.19 3i1u h THR 97 N 0.56 1.13 -1.00 4.41 2.02 -1.08 -1.48 112.91 117.46 3i1u h THR 97 Ca 0.11 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 67.06 3i1u h THR 97 Cb 0.45 0.44 -0.05 0.00 -1.74 0.00 0.00 68.15 67.26 3i1u h THR 97 CO 0.02 0.12 0.66 0.00 0.37 0.00 0.00 175.52 176.70 3i1u h ALA 98 N 1.17 1.28 0.27 6.16 0.00 -0.89 -0.64 119.26 126.61 3i1u h ALA 98 Ca 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3i1u h ALA 98 Cb -0.06 -0.41 0.00 0.00 0.00 0.00 0.00 17.79 17.32 3i1u h ALA 98 CO -0.04 0.67 -0.13 0.82 0.00 0.00 0.00 179.25 180.57 3i1u h ILE 99 N 1.36 0.75 0.00 0.00 2.04 -0.81 -2.99 117.51 117.86 3i1u h ILE 99 Ca 0.37 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 66.07 3i1u h ILE 99 Cb -0.15 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3i1u h ILE 99 CO -0.08 0.04 0.00 -0.07 0.00 0.00 0.00 178.15 178.04 3i1u h LEU 100 N -0.45 0.00 -1.21 1.44 3.38 -1.14 0.19 115.31 117.52 3i1u h LEU 100 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3i1u h LEU 100 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3i1u h LEU 100 CO 0.06 0.00 -0.18 0.44 0.09 0.00 0.00 178.44 178.85 3i1u h ASP 101 N 0.00 0.00 0.00 -0.43 3.32 -1.04 -3.35 116.42 114.92 3i1u h ASP 101 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3i1u h ASP 101 Cb 0.62 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3i1u h ASP 101 CO 0.00 0.18 -1.35 -1.20 -1.72 0.00 0.00 179.24 175.15 3i1u n SER 102 N -3.35 3.37 -4.10 6.45 7.64 -0.80 -5.00 113.62 117.82 3i1u n SER 102 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 3i1u n SER 102 Cb 0.40 1.18 -0.11 0.00 -1.01 0.00 0.00 64.21 64.67 3i1u n SER 102 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3i1u s MET 103 N -2.42 0.65 0.12 1.43 -1.94 0.60 -4.40 119.30 113.34 3i1u s MET 103 Ca -0.03 -1.04 -0.01 0.00 -1.71 0.00 0.00 55.69 52.90 3i1u s MET 103 Cb 0.04 -0.17 -0.04 0.00 2.01 0.00 0.00 34.83 36.67 3i1u s MET 103 CO 0.29 -0.00 0.30 -0.51 -0.01 0.00 0.00 175.02 175.09 3i1u s ASP 104 N -2.34 6.40 -0.11 3.03 1.01 -0.70 -4.26 116.67 119.71 3i1u s ASP 104 Ca 0.01 0.38 0.03 0.00 0.71 0.00 0.00 52.55 53.67 3i1u s ASP 104 Cb -0.02 -2.00 -0.00 0.00 1.01 0.00 0.00 42.92 41.91 3i1u s ASP 104 CO -0.03 0.08 -0.21 -0.63 0.21 0.00 0.00 175.17 174.59 3i1u s ILE 105 N -1.65 2.31 -0.25 0.77 1.01 -0.51 -1.04 121.20 121.85 3i1u s ILE 105 Ca 0.37 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 60.06 3i1u s ILE 105 Cb -0.12 -1.91 0.01 0.00 0.01 0.00 0.00 42.46 40.45 3i1u s ILE 105 CO 0.27 0.55 -0.03 -0.36 0.00 0.00 0.00 174.94 175.38 3i1u s PHE 106 N 0.35 3.06 -0.23 3.97 0.40 0.15 -0.52 117.98 125.15 3i1u s PHE 106 Ca -0.17 -1.28 -0.01 0.00 -0.60 0.00 0.00 56.93 54.88 3i1u s PHE 106 Cb -0.17 -2.11 0.03 0.00 0.51 0.00 0.00 43.02 41.27 3i1u s PHE 106 CO 0.08 -0.65 -0.10 -1.17 0.70 0.00 0.00 175.22 174.08 3i1u s LEU 107 N 1.40 2.96 -0.44 -0.37 2.96 -0.01 -0.81 118.68 124.37 3i1u s LEU 107 Ca 0.02 -0.86 -0.09 0.00 -0.22 0.00 0.00 54.13 52.98 3i1u s LEU 107 Cb -0.16 -1.61 0.10 0.00 0.50 0.00 0.00 46.19 45.02 3i1u s LEU 107 CO -0.03 -0.10 0.30 -0.70 -1.32 0.00 0.00 176.35 174.50 3i1u s GLU 108 N 1.30 2.50 0.13 1.98 2.12 0.26 -0.77 118.70 126.20 3i1u s GLU 108 Ca 0.00 -1.64 -0.08 0.00 0.36 0.00 0.00 54.97 53.62 3i1u s GLU 108 Cb -0.16 -3.83 -0.08 0.00 0.26 0.00 0.00 34.13 30.31 3i1u s GLU 108 CO -0.06 -1.08 1.33 0.82 -0.54 0.00 0.00 175.26 175.73 3i1u h ILE 109 N 6.13 1.33 -3.07 -3.70 2.04 -1.82 0.11 117.51 118.54 3i1u h ILE 109 Ca -0.21 -2.13 -0.62 0.00 1.00 0.00 0.00 64.86 62.89 3i1u h ILE 109 Cb 1.08 2.14 -0.41 0.00 -0.74 0.00 0.00 36.82 38.89 3i1u h ILE 109 CO 0.80 0.66 -0.68 -0.69 0.00 0.00 0.00 178.15 178.24 3i1u s VAL 110 N -3.58 2.05 0.07 1.67 1.01 -1.25 -4.07 120.40 116.30 3i1u s VAL 110 Ca -0.08 -3.26 0.26 0.00 0.00 0.00 0.00 61.98 58.89 3i1u s VAL 110 Cb 0.09 -2.40 0.27 0.00 0.00 0.00 0.00 36.38 34.34 3i1u s VAL 110 CO 0.88 -0.93 1.82 0.74 0.00 0.00 0.00 175.10 177.61 3i1u h THR 111 N 5.02 0.40 -2.50 3.92 2.02 -1.34 -3.34 112.91 117.10 3i1u h THR 111 Ca 0.04 -1.03 -0.60 0.00 0.77 0.00 0.00 66.41 65.59 3i1u h THR 111 Cb 0.87 1.76 -0.40 0.00 -1.74 0.00 0.00 68.15 68.64 3i1u h THR 111 CO 0.60 0.17 -0.80 -3.20 0.37 0.00 0.00 175.52 172.66 3i1u n ASN 112 N -3.29 1.55 0.12 4.18 5.15 -1.13 -4.86 115.26 116.99 3i1u n ASN 112 Ca 0.01 -2.90 0.01 0.00 -0.60 0.00 0.00 54.58 51.10 3i1u n ASN 112 Cb 0.43 -0.66 0.33 0.00 -0.53 0.00 0.00 39.78 39.35 3i1u n ASN 112 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3i1u h PRO 113 N 5.00 0.19 -0.23 1.20 0.13 -1.88 -1.49 132.00 134.91 3i1u h PRO 113 Ca 0.18 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.22 3i1u h PRO 113 Cb 0.81 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 3i1u h PRO 113 CO 0.59 0.46 0.02 -0.44 -0.23 0.00 0.00 178.00 178.39 3i1u h ASP 114 N 0.17 0.38 -0.79 1.44 3.32 -1.95 -0.74 116.42 118.26 3i1u h ASP 114 Ca 0.03 -0.29 0.01 0.00 0.02 0.00 0.00 57.03 56.80 3i1u h ASP 114 Cb 0.58 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 3i1u h ASP 114 CO 0.04 0.57 0.52 1.23 -1.72 0.00 0.00 179.24 179.89 3i1u h GLY 115 N 0.18 1.12 0.94 2.75 0.00 -1.74 -1.70 103.07 104.62 3i1u h GLY 115 Ca 0.07 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3i1u h GLY 115 CO 0.01 0.39 0.10 -2.75 0.00 0.00 0.00 176.54 174.29 3i1u h PHE 116 N 1.05 0.26 -0.85 5.60 3.57 -0.97 -0.23 116.94 125.37 3i1u h PHE 116 Ca 0.30 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.87 3i1u h PHE 116 Cb -0.09 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.49 3i1u h PHE 116 CO -0.02 0.25 0.51 0.00 -2.23 0.00 0.00 178.31 176.82 3i1u h ALA 117 N 0.98 1.19 -0.23 2.41 0.00 -1.00 -2.21 119.26 120.41 3i1u h ALA 117 Ca 0.07 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3i1u h ALA 117 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3i1u h ALA 117 CO -0.01 0.18 -0.15 0.35 0.00 0.00 0.00 179.25 179.63 3i1u h PHE 118 N 0.88 0.41 0.00 0.00 3.57 -0.56 -0.90 116.94 120.33 3i1u h PHE 118 Ca 0.39 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.80 3i1u h PHE 118 Cb 0.28 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 3i1u h PHE 118 CO -0.04 0.52 -0.13 1.79 -2.23 0.00 0.00 178.31 178.21 3i1u h THR 119 N 0.35 0.50 0.12 4.41 1.35 -0.43 0.23 112.91 119.44 3i1u h THR 119 Ca 0.07 -0.64 -0.34 0.00 -0.55 0.00 0.00 66.41 64.94 3i1u h THR 119 Cb 0.48 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 3i1u h THR 119 CO 0.03 0.13 -1.81 0.45 -0.25 0.00 0.00 175.52 174.07 3i1u h HIS 120 N 0.00 0.47 0.00 4.73 3.86 -1.18 -3.26 115.15 119.77 3i1u h HIS 120 Ca -0.00 -0.34 -0.26 0.00 -1.16 0.00 0.00 60.37 58.60 3i1u h HIS 120 Cb 0.43 -0.02 -0.05 0.00 1.06 0.00 0.00 27.41 28.83 3i1u h HIS 120 CO 0.00 1.57 -1.61 0.66 0.86 0.00 0.00 177.93 179.41 3i1u h SER 121 N 0.07 0.00 0.00 2.45 4.64 -1.07 -3.46 113.55 116.18 3i1u h SER 121 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3i1u h SER 121 Cb 2.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.13 3i1u h SER 121 CO 0.12 0.92 -0.04 0.00 -0.87 0.00 0.00 176.83 176.96 3i1u n GLN 122 N -3.03 0.00 -3.38 4.77 1.13 -0.09 -5.08 117.38 111.70 3i1u n GLN 122 Ca -0.15 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.77 3i1u n GLN 122 Cb 1.01 -0.24 -0.09 0.00 0.11 0.00 0.00 30.24 31.03 3i1u n GLN 122 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3i1u s ASN 123 N -4.15 1.29 0.60 1.08 3.84 -0.27 -5.02 114.94 112.31 3i1u s ASN 123 Ca 0.00 -0.61 0.30 0.00 0.21 0.00 0.00 52.86 52.76 3i1u s ASN 123 Cb 0.00 0.68 1.68 0.00 -0.55 0.00 0.00 41.25 43.06 3i1u s ASN 123 CO 0.00 -0.38 2.07 -0.09 -2.79 0.00 0.00 177.10 175.92 3i1u h ARG 124 N 8.24 0.00 -0.50 0.43 9.65 -1.79 -2.15 114.38 128.25 3i1u h ARG 124 Ca -0.12 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.76 3i1u h ARG 124 Cb 1.09 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.67 3i1u h ARG 124 CO 0.31 0.00 0.00 1.28 2.80 0.00 0.00 179.97 184.36 3i1u n LEU 125 N -3.66 4.32 -4.74 3.80 4.77 -1.26 -4.56 117.00 115.67 3i1u n LEU 125 Ca 0.02 -2.53 -0.42 0.00 -0.03 0.00 0.00 56.01 53.05 3i1u n LEU 125 Cb 0.36 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.91 3i1u n LEU 125 CO 0.26 0.76 1.21 0.86 -1.33 0.00 0.00 177.39 179.14 3i1u s TRP 126 N -1.98 2.87 -0.13 -1.77 -0.11 -0.81 -4.78 118.94 112.23 3i1u s TRP 126 Ca 0.44 0.81 -0.02 0.00 1.22 0.00 0.00 56.10 58.56 3i1u s TRP 126 Cb 0.30 -3.99 -0.08 0.00 -1.50 0.00 0.00 33.47 28.21 3i1u s TRP 126 CO 0.19 -3.35 -0.13 -2.13 -4.62 0.00 0.00 176.95 166.90 3i1u n ARG 127 N 2.52 0.31 -2.11 5.86 0.63 -1.26 -1.27 116.66 121.35 3i1u n ARG 127 Ca 0.09 0.09 -0.28 0.00 -0.92 0.00 0.00 57.85 56.83 3i1u n ARG 127 Cb 0.38 -1.17 0.18 0.00 0.45 0.00 0.00 32.46 32.30 3i1u n ARG 127 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3i1u s LYS 128 N -2.25 0.75 0.19 -0.14 1.02 -1.26 -3.15 119.74 114.89 3i1u s LYS 128 Ca -0.18 -0.66 -0.03 0.00 0.02 0.00 0.00 55.97 55.12 3i1u s LYS 128 Cb 0.05 -1.96 0.05 0.00 -0.52 0.00 0.00 37.83 35.45 3i1u s LYS 128 CO 0.28 -2.27 0.16 0.25 -0.92 0.00 0.00 175.35 172.85 3i1u n THR 129 N -3.59 0.00 -1.33 2.17 -2.24 0.10 -4.44 114.28 104.96 3i1u n THR 129 Ca 0.16 -0.06 0.08 0.00 -2.27 0.00 0.00 64.05 61.96 3i1u n THR 129 Cb 0.60 -0.92 0.16 0.00 -2.10 0.00 0.00 70.33 68.07 3i1u n THR 129 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i1u n ARG 130 N -2.08 1.36 -2.11 -0.78 5.12 -1.26 -4.08 116.66 112.84 3i1u n ARG 130 Ca 0.02 -2.84 -0.40 0.00 -1.93 0.00 0.00 57.85 52.70 3i1u n ARG 130 Cb 0.09 -1.51 -0.01 0.00 -1.16 0.00 0.00 32.46 29.87 3i1u n ARG 130 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3i1u s SER 131 N -2.98 6.52 -0.14 0.55 1.04 -1.26 -4.56 113.70 112.87 3i1u s SER 131 Ca 0.34 2.63 -0.29 0.00 0.48 0.00 0.00 55.95 59.11 3i1u s SER 131 Cb 0.31 -2.64 -0.01 0.00 0.10 0.00 0.00 66.02 63.79 3i1u s SER 131 CO -0.02 -0.70 1.00 -0.69 0.98 0.00 0.00 173.24 173.81 3i1u s VAL 132 N -1.23 4.77 -0.17 5.02 1.01 -1.26 -0.66 120.40 127.88 3i1u s VAL 132 Ca 0.54 2.00 -0.17 0.00 0.00 0.00 0.00 61.98 64.35 3i1u s VAL 132 Cb -0.38 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.67 3i1u s VAL 132 CO 0.49 -0.04 0.45 -0.89 0.00 0.00 0.00 175.10 175.12 3i1u s THR 133 N 2.31 5.18 0.31 3.92 2.01 -1.25 -4.97 115.64 123.13 3i1u s THR 133 Ca 0.46 0.85 -0.30 0.00 0.31 0.00 0.00 61.69 63.02 3i1u s THR 133 Cb -0.17 -3.79 -0.11 0.00 0.01 0.00 0.00 72.50 68.44 3i1u s THR 133 CO 0.15 0.27 1.58 -0.94 -0.69 0.00 0.00 174.62 174.99 3i1u s SER 134 N 0.88 6.36 -1.46 3.53 1.04 -1.26 -2.93 113.70 119.86 3i1u s SER 134 Ca 0.23 2.97 -0.10 0.00 0.48 0.00 0.00 55.95 59.53 3i1u s SER 134 Cb -0.15 -2.64 0.05 0.00 0.10 0.00 0.00 66.02 63.38 3i1u s SER 134 CO 0.09 -0.92 0.86 -1.20 0.98 0.00 0.00 173.24 173.05 3i1u n SER 135 N 1.92 -5.32 -3.91 7.02 7.64 -1.26 -4.98 113.62 114.73 3i1u n SER 135 Ca 0.07 -0.54 -0.10 0.00 1.01 0.00 0.00 58.87 59.30 3i1u n SER 135 Cb 0.38 -4.26 -0.11 0.00 -1.01 0.00 0.00 64.21 59.20 3i1u n SER 135 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3i1u s SER 136 N -3.06 0.10 0.00 6.43 0.15 -1.15 -5.02 113.70 111.15 3i1u s SER 136 Ca 0.52 -0.26 0.28 0.00 0.70 0.00 0.00 55.95 57.19 3i1u s SER 136 Cb -0.25 0.15 1.09 0.00 -1.71 0.00 0.00 66.02 65.30 3i1u s SER 136 CO 0.64 -0.27 1.81 0.18 1.20 0.00 0.00 173.24 176.81 3i1u n LEU 137 N 1.84 0.17 -4.87 3.45 4.77 -1.26 -4.80 117.00 116.30 3i1u n LEU 137 Ca -0.21 0.31 -0.24 0.00 -0.03 0.00 0.00 56.01 55.84 3i1u n LEU 137 Cb 0.56 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 3i1u n LEU 137 CO 0.21 0.04 -0.14 0.00 -1.33 0.00 0.00 177.39 176.17 3i1u s VAL 139 N -1.90 1.76 0.00 0.00 1.01 -1.26 -3.92 120.40 116.09 3i1u s VAL 139 Ca 0.33 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3i1u s VAL 139 Cb -0.09 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.80 3i1u s VAL 139 CO 0.26 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.35 3i1u n GLY 140 N 2.23 0.99 3.35 4.51 0.00 0.17 -4.89 105.19 111.55 3i1u n GLY 140 Ca -0.16 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 3i1u n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1u s VAL 141 N -2.49 2.14 -0.51 1.61 1.01 -1.26 -4.82 120.40 116.08 3i1u s VAL 141 Ca 0.00 -1.44 -0.27 0.00 0.00 0.00 0.00 61.98 60.27 3i1u s VAL 141 Cb 0.00 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 3i1u s VAL 141 CO 0.00 0.32 1.70 -0.62 0.00 0.00 0.00 175.10 176.50 3i1u s ASP 142 N -1.35 5.72 0.61 3.32 -1.08 0.21 -0.72 116.67 123.38 3i1u s ASP 142 Ca 0.12 0.60 0.37 0.00 -0.52 0.00 0.00 52.55 53.12 3i1u s ASP 142 Cb -0.10 -2.53 1.99 0.00 -1.46 0.00 0.00 42.92 40.81 3i1u s ASP 142 CO 0.03 -1.97 2.24 0.00 0.52 0.00 0.00 175.17 175.99 3i1u h ALA 143 N 13.13 1.16 -0.39 3.66 0.00 -1.86 -0.25 119.26 134.72 3i1u h ALA 143 Ca -0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3i1u h ALA 143 Cb 1.14 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3i1u h ALA 143 CO 1.15 0.03 0.02 -1.71 0.00 0.00 0.00 179.25 178.74 3i1u n ASN 144 N -3.35 4.10 0.00 0.00 5.15 -1.26 -3.42 115.26 116.48 3i1u n ASN 144 Ca -0.02 -2.63 0.00 0.00 -0.60 0.00 0.00 54.58 51.32 3i1u n ASN 144 Cb 0.14 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 38.76 3i1u n ASN 144 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3i1u n ARG 145 N 0.37 1.92 -0.01 1.20 5.12 -0.11 -3.63 116.66 121.53 3i1u n ARG 145 Ca 0.19 -1.16 0.10 0.00 -1.93 0.00 0.00 57.85 55.06 3i1u n ARG 145 Cb 0.89 -0.88 0.09 0.00 -1.16 0.00 0.00 32.46 31.41 3i1u n ARG 145 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3i1u n ASN 146 N -0.33 2.73 -4.89 0.55 4.05 -1.02 -4.40 115.26 111.94 3i1u n ASN 146 Ca 0.00 -1.86 -0.29 0.00 0.45 0.00 0.00 54.58 52.89 3i1u n ASN 146 Cb 0.28 -0.01 -0.02 0.00 1.23 0.00 0.00 39.78 41.26 3i1u n ASN 146 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 3i1u s TRP 147 N -1.69 3.50 -1.38 1.20 0.52 -0.26 -0.21 118.94 120.61 3i1u s TRP 147 Ca 0.24 0.87 -0.11 0.00 0.02 0.00 0.00 56.10 57.12 3i1u s TRP 147 Cb 0.17 -2.31 0.09 0.00 -1.15 0.00 0.00 33.47 30.27 3i1u s TRP 147 CO 0.26 -0.10 2.11 -3.47 0.02 0.00 0.00 176.95 175.77 3i1u n ASP 148 N -1.55 4.80 -3.34 2.95 -0.08 -1.26 -4.29 116.55 113.77 3i1u n ASP 148 Ca 0.01 -2.96 -0.11 0.00 -1.51 0.00 0.00 54.79 50.21 3i1u n ASP 148 Cb 0.54 -1.56 -0.07 0.00 2.34 0.00 0.00 41.12 42.37 3i1u n ASP 148 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3i1u s ALA 149 N 1.70 -0.97 -1.51 -1.67 0.00 -1.26 -4.76 121.76 113.29 3i1u s ALA 149 Ca 0.45 0.23 -0.02 0.00 0.00 0.00 0.00 51.96 52.62 3i1u s ALA 149 Cb 0.12 -1.90 0.01 0.00 0.00 0.00 0.00 23.12 21.35 3i1u s ALA 149 CO -0.05 -1.62 0.22 0.41 0.00 0.00 0.00 175.76 174.72 3i1u n GLY 150 N 5.34 -0.51 3.68 0.00 0.00 -1.26 -0.92 105.19 111.53 3i1u n GLY 150 Ca -0.01 0.05 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 3i1u n GLY 150 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i1u n PHE 151 N -4.01 2.33 -0.43 1.61 7.35 -1.26 -1.97 117.46 121.08 3i1u n PHE 151 Ca -0.16 0.29 0.00 0.00 -0.76 0.00 0.00 57.45 56.82 3i1u n PHE 151 Cb 0.64 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.93 3i1u n PHE 151 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3i1u n GLY 152 N 3.04 1.49 3.93 7.13 0.00 -1.26 -4.97 105.19 114.55 3i1u n GLY 152 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3i1u n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1u s LYS 153 N -0.24 1.14 0.30 1.61 1.02 -0.83 -4.94 119.74 117.80 3i1u s LYS 153 Ca 0.00 -0.31 -0.28 0.00 0.02 0.00 0.00 55.97 55.40 3i1u s LYS 153 Cb 0.00 -1.92 -0.14 0.00 -0.52 0.00 0.00 37.83 35.25 3i1u s LYS 153 CO 0.00 -2.07 1.06 0.00 -0.92 0.00 0.00 175.35 173.42 3i1u n ALA 154 N -3.54 0.03 0.00 5.17 0.00 -1.26 -3.19 120.51 117.72 3i1u n ALA 154 Ca 0.13 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3i1u n ALA 154 Cb 0.60 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.99 3i1u n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1u n GLY 155 N 1.17 1.16 3.80 0.00 0.00 -1.26 -3.94 105.19 106.12 3i1u n GLY 155 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 3i1u n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1u s ALA 156 N -2.00 -0.97 0.03 4.61 0.00 -1.19 -2.04 121.76 120.19 3i1u s ALA 156 Ca 0.00 -0.47 0.07 0.00 0.00 0.00 0.00 51.96 51.57 3i1u s ALA 156 Cb 0.00 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 3i1u s ALA 156 CO 0.00 -1.00 -0.21 0.45 0.00 0.00 0.00 175.76 175.00 3i1u s SER 157 N -2.95 2.48 0.00 0.00 0.15 -0.53 -4.95 113.70 107.90 3i1u s SER 157 Ca 0.14 -0.49 0.24 0.00 0.70 0.00 0.00 55.95 56.54 3i1u s SER 157 Cb -0.05 -0.22 0.70 0.00 -1.71 0.00 0.00 66.02 64.74 3i1u s SER 157 CO 0.08 0.19 1.54 -1.54 1.20 0.00 0.00 173.24 174.71 3i1u n SER 158 N 2.01 2.11 -4.63 5.45 3.41 -1.26 -1.06 113.62 119.65 3i1u n SER 158 Ca -0.17 -1.73 -0.42 0.00 -0.26 0.00 0.00 58.87 56.29 3i1u n SER 158 Cb 0.53 -0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.36 3i1u n SER 158 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3i1u s SER 159 N -1.76 6.79 0.53 4.04 0.01 -1.26 -4.95 113.70 117.09 3i1u s SER 159 Ca 0.34 0.93 0.23 0.00 1.31 0.00 0.00 55.95 58.77 3i1u s SER 159 Cb 0.20 -2.44 1.37 0.00 0.21 0.00 0.00 66.02 65.36 3i1u s SER 159 CO 0.30 -0.57 2.03 -0.65 0.41 0.00 0.00 173.24 174.75 3i1u h PRO 160 N 7.84 0.00 -0.00 12.44 0.11 -1.95 -1.23 132.00 149.20 3i1u h PRO 160 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3i1u h PRO 160 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3i1u h PRO 160 CO 0.89 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.61 3i1u s SER 162 N -2.46 6.83 0.63 0.00 0.15 -0.46 -4.93 113.70 113.45 3i1u s SER 162 Ca 0.30 2.16 0.38 0.00 0.70 0.00 0.00 55.95 59.49 3i1u s SER 162 Cb 0.20 -2.60 2.13 0.00 -1.71 0.00 0.00 66.02 64.04 3i1u s SER 162 CO 0.46 -0.44 2.30 -0.33 1.20 0.00 0.00 173.24 176.43 3i1u h GLU 163 N 2.85 0.00 -0.25 5.44 4.39 -1.90 -2.65 114.58 122.46 3i1u h GLU 163 Ca -0.48 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.13 3i1u h GLU 163 Cb 1.22 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.81 3i1u h GLU 163 CO 0.63 0.01 -0.08 0.25 -1.16 0.00 0.00 179.01 178.66 3i1u n THR 164 N -3.36 2.37 -1.67 1.13 -2.24 -1.26 -4.47 114.28 104.78 3i1u n THR 164 Ca -0.03 -2.49 -0.47 0.00 -2.27 0.00 0.00 64.05 58.80 3i1u n THR 164 Cb 0.10 -0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.00 3i1u n THR 164 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i1u n TYR 165 N -0.99 2.31 1.15 4.78 9.36 -1.00 -1.45 117.16 131.31 3i1u n TYR 165 Ca 0.26 0.14 0.13 0.00 3.32 0.00 0.00 57.90 61.76 3i1u n TYR 165 Cb 0.92 -2.60 0.46 0.00 -0.63 0.00 0.00 39.34 37.48 3i1u n TYR 165 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 3i1u n HIS 166 N 4.81 0.00 0.00 2.98 1.44 -0.22 -0.62 115.22 123.60 3i1u n HIS 166 Ca 0.19 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.90 3i1u n HIS 166 Cb 0.29 -0.28 0.00 0.00 0.12 0.00 0.00 29.99 30.13 3i1u n HIS 166 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3i1u n GLY 167 N 1.42 -0.94 0.14 -1.39 0.00 -1.26 -4.42 105.19 98.74 3i1u n GLY 167 Ca 0.09 -1.66 0.03 0.00 0.00 0.00 0.00 46.02 44.49 3i1u n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1u h LYS 168 N 0.00 0.00 -2.66 1.61 1.79 -1.98 -3.47 116.57 111.86 3i1u h LYS 168 Ca 0.00 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 3i1u h LYS 168 Cb 0.00 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.51 3i1u h LYS 168 CO 0.00 0.47 0.28 1.52 -1.08 0.00 0.00 179.45 180.64 3i1u s TYR 169 N -2.98 -0.51 0.31 -1.35 -0.85 -1.26 -5.09 117.35 105.62 3i1u s TYR 169 Ca 0.04 0.42 -0.29 0.00 -0.52 0.00 0.00 57.07 56.72 3i1u s TYR 169 Cb 0.07 0.53 -0.12 0.00 0.38 0.00 0.00 41.96 42.83 3i1u s TYR 169 CO 0.74 -0.73 1.53 0.00 -1.52 0.00 0.00 175.55 175.57 3i1u n ALA 170 N -0.14 2.30 -1.37 9.51 0.00 -1.26 -1.90 120.51 127.66 3i1u n ALA 170 Ca -0.15 0.37 -0.12 0.00 0.00 0.00 0.00 53.44 53.53 3i1u n ALA 170 Cb 0.63 -2.42 -0.05 0.00 0.00 0.00 0.00 19.45 17.61 3i1u n ALA 170 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i1u n ASN 171 N 1.64 -4.44 0.16 0.00 5.03 0.70 -4.90 115.26 113.45 3i1u n ASN 171 Ca 0.07 0.29 0.05 0.00 0.87 0.00 0.00 54.58 55.86 3i1u n ASN 171 Cb 0.37 -3.02 0.51 0.00 -1.02 0.00 0.00 39.78 36.62 3i1u n ASN 171 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 3i1u h SER 172 N 0.00 0.16 -3.35 6.41 4.64 -1.62 -3.40 113.55 116.39 3i1u h SER 172 Ca -0.25 -0.01 -0.57 0.00 -0.47 0.00 0.00 61.79 60.49 3i1u h SER 172 Cb 0.80 -0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 62.78 3i1u h SER 172 CO 0.36 0.20 0.24 -1.61 -0.87 0.00 0.00 176.83 175.15 3i1u s GLU 173 N -5.01 4.35 0.50 4.77 0.41 -1.26 -4.94 118.70 117.52 3i1u s GLU 173 Ca -0.06 0.92 0.18 0.00 -0.41 0.00 0.00 54.97 55.61 3i1u s GLU 173 Cb 0.16 -3.52 1.24 0.00 -1.78 0.00 0.00 34.13 30.23 3i1u s GLU 173 CO 0.70 -0.16 2.06 -0.24 -0.49 0.00 0.00 175.26 177.13 3i1u h VAL 174 N 5.02 0.89 -0.08 2.63 3.04 -1.90 0.02 116.25 125.86 3i1u h VAL 174 Ca -0.34 -0.04 -0.04 0.00 -1.01 0.00 0.00 66.70 65.27 3i1u h VAL 174 Cb 1.16 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.20 3i1u h VAL 174 CO 0.79 0.02 -0.14 -0.33 -1.01 0.00 0.00 177.57 176.91 3i1u h GLU 175 N 0.11 0.12 0.02 4.17 3.07 -1.90 -0.20 114.58 119.96 3i1u h GLU 175 Ca 0.15 -0.02 -0.14 0.00 -0.50 0.00 0.00 59.36 58.85 3i1u h GLU 175 Cb 0.46 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.34 3i1u h GLU 175 CO -0.02 0.26 -0.76 0.28 -1.40 0.00 0.00 179.01 177.38 3i1u h VAL 176 N 0.12 1.30 -0.60 3.13 2.07 -1.43 -3.34 116.25 117.50 3i1u h VAL 176 Ca 0.02 -2.28 0.05 0.00 0.82 0.00 0.00 66.70 65.32 3i1u h VAL 176 Cb 0.32 2.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.82 3i1u h VAL 176 CO 0.02 0.48 0.40 0.50 0.02 0.00 0.00 177.57 178.99 3i1u h LYS 177 N -0.91 0.61 -0.90 1.57 1.63 -1.04 -1.20 116.57 116.34 3i1u h LYS 177 Ca -0.20 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.56 3i1u h LYS 177 Cb 1.24 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 32.69 3i1u h LYS 177 CO -0.09 0.40 0.53 0.77 -3.45 0.00 0.00 179.45 177.61 3i1u h SER 178 N 0.63 1.09 -0.12 4.20 0.02 -1.19 -0.49 113.55 117.69 3i1u h SER 178 Ca 0.25 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.04 3i1u h SER 178 Cb 0.20 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.47 3i1u h SER 178 CO -0.07 0.84 -0.25 0.40 -1.14 0.00 0.00 176.83 176.62 3i1u h ILE 179 N 1.24 1.38 -0.31 3.27 2.04 -1.41 -2.31 117.51 121.40 3i1u h ILE 179 Ca 0.32 -1.53 0.06 0.00 1.00 0.00 0.00 64.86 64.71 3i1u h ILE 179 Cb -0.03 2.09 -0.06 0.00 -0.74 0.00 0.00 36.82 38.08 3i1u h ILE 179 CO -0.06 0.45 -0.07 0.58 0.00 0.00 0.00 178.15 179.05 3i1u h VAL 180 N -0.05 0.70 -0.55 1.67 2.07 -1.07 -0.57 116.25 118.44 3i1u h VAL 180 Ca 0.00 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3i1u h VAL 180 Cb 0.84 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3i1u h VAL 180 CO 0.05 0.00 0.30 0.44 0.02 0.00 0.00 177.57 178.38 3i1u h ASP 181 N 0.01 0.70 -0.12 0.57 3.32 -1.12 -0.89 116.42 118.89 3i1u h ASP 181 Ca 0.15 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3i1u h ASP 181 Cb 0.23 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3i1u h ASP 181 CO -0.31 0.59 0.06 0.15 -1.72 0.00 0.00 179.24 178.01 3i1u h PHE 182 N 0.74 0.16 -0.42 4.55 3.57 -1.00 -0.46 116.94 124.09 3i1u h PHE 182 Ca 0.19 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 3i1u h PHE 182 Cb 0.06 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3i1u h PHE 182 CO -0.01 0.21 0.04 0.28 -2.23 0.00 0.00 178.31 176.59 3i1u h VAL 183 N 0.07 1.25 -0.41 1.41 2.07 -1.00 -1.25 116.25 118.39 3i1u h VAL 183 Ca 0.04 -0.94 -0.15 0.00 0.82 0.00 0.00 66.70 66.47 3i1u h VAL 183 Cb 0.10 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3i1u h VAL 183 CO -0.01 0.32 -0.32 0.11 0.02 0.00 0.00 177.57 177.70 3i1u h LYS 184 N 0.56 0.91 -0.53 1.57 1.79 -1.14 -1.61 116.57 118.13 3i1u h LYS 184 Ca 0.12 -0.44 -0.10 0.00 -2.18 0.00 0.00 60.65 58.06 3i1u h LYS 184 Cb 0.42 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 3i1u h LYS 184 CO 0.01 1.09 -0.05 0.22 -1.08 0.00 0.00 179.45 179.65 3i1u h ASP 185 N 0.76 0.92 0.11 0.86 3.58 -1.02 -3.13 116.42 118.52 3i1u h ASP 185 Ca 0.08 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.25 3i1u h ASP 185 Cb 0.90 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.70 3i1u h ASP 185 CO 0.08 1.01 -0.05 -0.74 -2.88 0.00 0.00 179.24 176.66 3i1u h HIS 186 N 0.85 -0.14 0.00 0.28 2.76 -1.11 -3.47 115.15 114.33 3i1u h HIS 186 Ca 0.15 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 3i1u h HIS 186 Cb 0.57 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.58 3i1u h HIS 186 CO 0.04 0.04 0.00 0.41 -1.30 0.00 0.00 177.93 177.12 3i1u n GLY 187 N -0.75 1.32 1.07 5.26 0.00 -0.62 -4.84 105.19 106.64 3i1u n GLY 187 Ca -0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.98 3i1u n GLY 187 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i1u n ASN 188 N 0.00 1.41 -4.71 1.61 5.15 -1.26 -5.04 115.26 112.42 3i1u n ASN 188 Ca 0.00 -2.98 -0.42 0.00 -0.60 0.00 0.00 54.58 50.58 3i1u n ASN 188 Cb 0.00 -0.42 -0.03 0.00 -0.53 0.00 0.00 39.78 38.80 3i1u n ASN 188 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3i1u s PHE 189 N -1.72 3.54 -0.07 1.20 0.08 -1.26 -1.44 117.98 118.32 3i1u s PHE 189 Ca 0.36 1.50 0.15 0.00 0.12 0.00 0.00 56.93 59.06 3i1u s PHE 189 Cb 0.38 -3.27 -0.23 0.00 -0.57 0.00 0.00 43.02 39.32 3i1u s PHE 189 CO -0.12 -0.65 0.26 1.63 -0.10 0.00 0.00 175.22 176.24 3i1u n LYS 190 N 3.95 0.84 -4.03 0.44 4.76 0.50 -4.76 118.16 119.86 3i1u n LYS 190 Ca 0.08 -0.10 -0.11 0.00 -2.87 0.00 0.00 58.31 55.30 3i1u n LYS 190 Cb 0.49 -1.39 -0.12 0.00 -1.84 0.00 0.00 35.03 32.17 3i1u n LYS 190 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i1u s ALA 191 N -2.88 0.36 -0.20 7.82 0.00 -1.17 -3.40 121.76 122.29 3i1u s ALA 191 Ca -0.06 -0.63 -0.04 0.00 0.00 0.00 0.00 51.96 51.22 3i1u s ALA 191 Cb 0.08 0.08 0.07 0.00 0.00 0.00 0.00 23.12 23.35 3i1u s ALA 191 CO 0.66 -0.07 0.09 0.12 0.00 0.00 0.00 175.76 176.57 3i1u s PHE 192 N -1.29 0.33 -0.18 0.00 2.19 -0.23 -1.29 117.98 117.51 3i1u s PHE 192 Ca -0.11 -0.52 -0.00 0.00 0.33 0.00 0.00 56.93 56.63 3i1u s PHE 192 Cb -0.09 -0.79 0.00 0.00 -1.31 0.00 0.00 43.02 40.84 3i1u s PHE 192 CO -0.00 -0.60 -0.15 -0.51 1.83 0.00 0.00 175.22 175.79 3i1u s LEU 193 N 2.09 2.43 -0.12 6.12 1.43 0.48 -1.70 118.68 129.42 3i1u s LEU 193 Ca 0.03 -0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3i1u s LEU 193 Cb -0.16 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 3i1u s LEU 193 CO -0.15 0.03 -0.11 -0.55 0.23 0.00 0.00 176.35 175.80 3i1u s SER 194 N 1.13 4.20 -0.19 2.29 0.15 -0.55 -1.00 113.70 119.73 3i1u s SER 194 Ca 0.01 -0.25 -0.03 0.00 0.70 0.00 0.00 55.95 56.38 3i1u s SER 194 Cb -0.14 -1.50 -0.01 0.00 -1.71 0.00 0.00 66.02 62.65 3i1u s SER 194 CO -0.05 0.21 -0.07 -0.63 1.20 0.00 0.00 173.24 173.90 3i1u s ILE 195 N 0.11 3.34 0.36 6.45 -1.09 0.46 -1.42 121.20 129.41 3i1u s ILE 195 Ca -0.05 -0.52 0.04 0.00 -2.23 0.00 0.00 60.65 57.89 3i1u s ILE 195 Cb -0.15 -2.49 -0.06 0.00 -1.58 0.00 0.00 42.46 38.19 3i1u s ILE 195 CO 0.04 0.46 0.05 -1.00 -1.23 0.00 0.00 174.94 173.26 3i1u s HIS 196 N 1.07 2.08 0.14 3.97 3.76 0.11 -3.73 115.29 122.70 3i1u s HIS 196 Ca 0.01 -0.91 0.02 0.00 -0.15 0.00 0.00 55.06 54.02 3i1u s HIS 196 Cb -0.15 -1.41 -0.04 0.00 1.11 0.00 0.00 32.58 32.09 3i1u s HIS 196 CO -0.01 0.10 -0.02 -1.54 -0.85 0.00 0.00 174.74 172.43 3i1u s SER 197 N -3.57 1.14 0.41 1.40 1.04 -1.26 -0.73 113.70 112.13 3i1u s SER 197 Ca 0.34 -1.11 0.04 0.00 0.48 0.00 0.00 55.95 55.69 3i1u s SER 197 Cb 0.08 0.12 -0.05 0.00 0.10 0.00 0.00 66.02 66.27 3i1u s SER 197 CO 0.15 -0.54 0.05 -0.72 0.98 0.00 0.00 173.24 173.16 3i1u s TYR 198 N -3.66 2.05 0.00 5.02 1.13 -1.26 -4.88 117.35 115.74 3i1u s TYR 198 Ca 0.20 -0.95 0.00 0.00 -1.41 0.00 0.00 57.07 54.90 3i1u s TYR 198 Cb 0.06 -1.47 0.00 0.00 -1.10 0.00 0.00 41.96 39.45 3i1u s TYR 198 CO 0.01 0.12 0.00 0.43 -2.51 0.00 0.00 175.55 173.59 3i1u n SER 199 N -1.04 0.00 -3.10 -0.18 7.64 -0.34 -4.82 113.62 111.78 3i1u n SER 199 Ca -0.08 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.70 3i1u n SER 199 Cb 0.66 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.91 3i1u n SER 199 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i1u n GLN 200 N 0.00 -1.88 -4.15 1.43 6.02 -0.31 -4.71 117.38 113.78 3i1u n GLN 200 Ca 0.00 0.99 -0.17 0.00 -0.01 0.00 0.00 57.00 57.81 3i1u n GLN 200 Cb 0.00 -5.58 -0.12 0.00 1.02 0.00 0.00 30.24 25.56 3i1u n GLN 200 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3i1u s LEU 201 N -4.88 2.27 -0.16 1.08 1.43 -0.61 -1.75 118.68 116.06 3i1u s LEU 201 Ca 0.32 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 3i1u s LEU 201 Cb -0.04 -0.43 0.02 0.00 0.03 0.00 0.00 46.19 45.77 3i1u s LEU 201 CO 0.70 -0.11 -0.18 -0.22 0.23 0.00 0.00 176.35 176.78 3i1u s LEU 202 N -1.70 1.95 -0.02 1.79 2.96 -0.08 -0.49 118.68 123.09 3i1u s LEU 202 Ca -0.04 -0.58 0.07 0.00 -0.22 0.00 0.00 54.13 53.36 3i1u s LEU 202 Cb -0.10 -1.35 -0.02 0.00 0.50 0.00 0.00 46.19 45.21 3i1u s LEU 202 CO 0.02 -0.01 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.05 3i1u s LEU 203 N 1.32 2.30 0.38 -0.68 1.43 0.16 -2.35 118.68 121.23 3i1u s LEU 203 Ca 0.04 -0.40 0.06 0.00 -1.03 0.00 0.00 54.13 52.79 3i1u s LEU 203 Cb -0.13 -1.41 -0.07 0.00 0.03 0.00 0.00 46.19 44.61 3i1u s LEU 203 CO -0.11 0.32 0.03 -0.72 0.23 0.00 0.00 176.35 176.09 3i1u s TYR 204 N -0.69 2.32 0.81 0.29 -0.85 -0.83 -0.75 117.35 117.64 3i1u s TYR 204 Ca 0.11 -0.77 -0.12 0.00 -0.52 0.00 0.00 57.07 55.77 3i1u s TYR 204 Cb -0.10 -1.60 0.08 0.00 0.38 0.00 0.00 41.96 40.72 3i1u s TYR 204 CO 0.00 0.29 1.13 -2.14 -1.52 0.00 0.00 175.55 173.31 3i1u s PRO 205 N -3.78 1.83 0.29 -3.49 0.02 -1.26 -1.05 135.00 127.57 3i1u s PRO 205 Ca 0.36 1.44 0.08 0.00 0.02 0.00 0.00 61.00 62.90 3i1u s PRO 205 Cb 0.09 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.75 3i1u s PRO 205 CO 0.17 -2.00 0.12 0.71 -0.33 0.00 0.00 177.00 175.66 3i1u s TYR 206 N -2.59 2.81 -0.16 6.54 2.02 -1.26 -4.54 117.35 120.17 3i1u s TYR 206 Ca 0.66 -0.26 0.18 0.00 -0.37 0.00 0.00 57.07 57.28 3i1u s TYR 206 Cb -0.22 -1.44 -0.26 0.00 -0.40 0.00 0.00 41.96 39.64 3i1u s TYR 206 CO 0.53 0.46 0.23 0.41 -1.57 0.00 0.00 175.55 175.61 3i1u n GLY 207 N -1.09 -1.01 0.13 0.71 0.00 -1.26 -1.67 105.19 101.01 3i1u n GLY 207 Ca -0.05 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.75 3i1u n GLY 207 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3i1u h TYR 208 N 0.00 0.00 -3.87 1.61 -0.00 -1.78 -1.35 116.97 111.58 3i1u h TYR 208 Ca -0.42 0.00 -0.15 0.00 -0.00 0.00 0.00 58.73 58.16 3i1u h TYR 208 Cb 1.98 0.00 -0.20 0.00 -0.00 0.00 0.00 36.73 38.52 3i1u h TYR 208 CO 0.00 0.00 -0.62 -0.08 -0.00 0.00 0.00 178.16 177.46 3i1u s THR 209 N -3.24 0.12 -0.99 -0.90 -1.32 -1.26 -4.93 115.64 103.11 3i1u s THR 209 Ca 0.04 -0.98 0.28 0.00 -1.21 0.00 0.00 61.69 59.82 3i1u s THR 209 Cb 0.09 -0.53 0.24 0.00 -1.51 0.00 0.00 72.50 70.79 3i1u s THR 209 CO 0.72 -0.54 1.90 0.35 -2.21 0.00 0.00 174.62 174.83 3i1u n THR 210 N 1.28 0.09 -1.70 5.08 -2.24 -1.26 -4.54 114.28 110.99 3i1u n THR 210 Ca -0.22 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.13 3i1u n THR 210 Cb 0.56 -0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.22 3i1u n THR 210 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3i1u n GLN 211 N -1.54 2.54 -2.58 -0.78 -0.06 -1.26 -4.96 117.38 108.73 3i1u n GLN 211 Ca 0.07 0.92 -0.38 0.00 -2.00 0.00 0.00 57.00 55.61 3i1u n GLN 211 Cb 0.33 -2.74 -0.05 0.00 -4.06 0.00 0.00 30.24 23.73 3i1u n GLN 211 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 3i1u s SER 212 N 1.15 7.02 0.54 1.69 1.04 -1.26 -4.54 113.70 119.34 3i1u s SER 212 Ca 0.77 2.05 -0.20 0.00 0.48 0.00 0.00 55.95 59.04 3i1u s SER 212 Cb -0.57 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 62.90 3i1u s SER 212 CO 0.35 -0.30 1.19 0.27 0.98 0.00 0.00 173.24 175.72 3i1u s ILE 213 N -1.52 2.85 0.06 -1.02 -4.36 -1.26 -4.93 121.20 111.02 3i1u s ILE 213 Ca 0.53 0.57 0.32 0.00 -0.26 0.00 0.00 60.65 61.80 3i1u s ILE 213 Cb -0.24 -3.25 0.34 0.00 1.25 0.00 0.00 42.46 40.57 3i1u s ILE 213 CO 0.30 -0.08 1.96 1.55 0.24 0.00 0.00 174.94 178.92 3i1u h PRO 214 N 1.32 0.00 -0.80 0.37 0.13 -1.98 -2.44 132.00 128.60 3i1u h PRO 214 Ca -0.50 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.34 3i1u h PRO 214 Cb 1.28 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.23 3i1u h PRO 214 CO 0.57 0.00 0.36 -0.25 -0.23 0.00 0.00 178.00 178.45 3i1u n ASP 215 N -2.74 4.57 -0.13 1.44 8.00 -1.26 -4.74 116.55 121.70 3i1u n ASP 215 Ca -0.00 -3.33 -0.06 0.00 0.71 0.00 0.00 54.79 52.11 3i1u n ASP 215 Cb 0.18 -0.77 0.02 0.00 -0.02 0.00 0.00 41.12 40.54 3i1u n ASP 215 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3i1u h LYS 216 N 2.27 0.39 -0.20 -1.24 3.64 -1.82 -1.02 116.57 118.60 3i1u h LYS 216 Ca 0.36 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.74 3i1u h LYS 216 Cb 2.47 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 34.17 3i1u h LYS 216 CO 0.83 0.26 0.00 1.15 -2.27 0.00 0.00 179.45 179.42 3i1u h THR 217 N 0.40 0.87 -0.03 1.00 2.02 -1.87 0.70 112.91 116.01 3i1u h THR 217 Ca 0.18 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 3i1u h THR 217 Cb 0.09 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3i1u h THR 217 CO -0.13 0.01 0.00 -0.08 0.37 0.00 0.00 175.52 175.70 3i1u h GLU 218 N 0.07 0.04 -0.38 6.66 4.81 -1.87 -1.88 114.58 122.03 3i1u h GLU 218 Ca 0.09 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 3i1u h GLU 218 Cb 0.11 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3i1u h GLU 218 CO -0.15 0.30 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.27 3i1u h LEU 219 N -0.22 0.63 -0.58 1.64 3.38 -1.08 0.56 115.31 119.66 3i1u h LEU 219 Ca 0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3i1u h LEU 219 Cb 0.27 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3i1u h LEU 219 CO 0.00 0.76 0.32 -1.13 0.09 0.00 0.00 178.44 178.47 3i1u h ASN 220 N 0.61 0.72 -0.49 -0.43 -0.73 -0.82 0.13 115.58 114.57 3i1u h ASN 220 Ca 0.11 -0.09 -0.09 0.00 1.87 0.00 0.00 56.30 58.10 3i1u h ASN 220 Cb 0.50 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.89 3i1u h ASN 220 CO 0.03 0.61 -0.04 -0.61 -0.37 0.00 0.00 177.43 177.04 3i1u h GLN 221 N 0.78 0.89 -0.48 6.67 5.75 -0.84 -0.18 115.11 127.70 3i1u h GLN 221 Ca 0.20 -0.31 0.02 0.00 -0.15 0.00 0.00 58.65 58.42 3i1u h GLN 221 Cb 0.05 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 3i1u h GLN 221 CO -0.03 0.95 0.28 0.28 -2.65 0.00 0.00 178.83 177.66 3i1u h VAL 222 N 0.75 1.04 -0.48 2.39 2.07 -0.70 -0.58 116.25 120.74 3i1u h VAL 222 Ca 0.13 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3i1u h VAL 222 Cb 0.58 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3i1u h VAL 222 CO 0.03 0.10 0.21 0.00 0.02 0.00 0.00 177.57 177.94 3i1u h ALA 223 N 1.22 0.62 -0.49 1.67 0.00 -0.80 -0.51 119.26 120.96 3i1u h ALA 223 Ca 0.19 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3i1u h ALA 223 Cb 0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3i1u h ALA 223 CO -0.09 0.20 0.25 -0.22 0.00 0.00 0.00 179.25 179.39 3i1u h LYS 224 N 0.63 0.47 -0.66 0.00 3.64 -0.78 -0.44 116.57 119.44 3i1u h LYS 224 Ca 0.16 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 3i1u h LYS 224 Cb 0.15 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3i1u h LYS 224 CO -0.02 0.31 0.24 0.66 -2.27 0.00 0.00 179.45 178.37 3i1u h SER 225 N 0.49 0.94 -0.51 4.20 4.64 -0.81 -1.64 113.55 120.86 3i1u h SER 225 Ca 0.22 -0.19 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 3i1u h SER 225 Cb 0.13 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 3i1u h SER 225 CO -0.15 0.88 0.03 0.00 -0.87 0.00 0.00 176.83 176.72 3i1u h ALA 226 N 1.10 0.68 -0.01 5.18 0.00 -0.64 -1.37 119.26 124.21 3i1u h ALA 226 Ca 0.22 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3i1u h ALA 226 Cb 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3i1u h ALA 226 CO -0.01 0.47 -0.56 -0.39 0.00 0.00 0.00 179.25 178.76 3i1u h VAL 227 N 0.75 1.40 -0.55 0.00 -1.51 -0.98 -1.09 116.25 114.27 3i1u h VAL 227 Ca 0.15 -1.92 -0.11 0.00 -1.23 0.00 0.00 66.70 63.60 3i1u h VAL 227 Cb 0.47 2.02 -0.02 0.00 -2.13 0.00 0.00 31.29 31.64 3i1u h VAL 227 CO 0.02 0.55 -0.07 0.00 -1.23 0.00 0.00 177.57 176.84 3i1u h ALA 228 N 1.42 0.75 -0.34 5.19 0.00 -1.08 0.08 119.26 125.27 3i1u h ALA 228 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3i1u h ALA 228 Cb 1.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3i1u h ALA 228 CO 0.07 0.64 0.14 0.00 0.00 0.00 0.00 179.25 180.10 3i1u h ALA 229 N 0.94 0.45 -0.21 0.00 0.00 -1.01 -1.07 119.26 118.36 3i1u h ALA 229 Ca 0.15 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3i1u h ALA 229 Cb 0.63 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3i1u h ALA 229 CO 0.04 0.05 0.03 1.25 0.00 0.00 0.00 179.25 180.62 3i1u h LEU 230 N 0.41 -0.01 -1.56 0.00 6.46 -1.07 -2.65 115.31 116.89 3i1u h LEU 230 Ca 0.11 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.86 3i1u h LEU 230 Cb 0.19 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 3i1u h LEU 230 CO -0.01 0.02 -0.21 0.50 -0.62 0.00 0.00 178.44 178.13 3i1u h LYS 231 N 0.11 0.02 -0.49 1.25 3.64 -0.80 -2.97 116.57 117.33 3i1u h LYS 231 Ca 0.09 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.60 3i1u h LYS 231 Cb 0.10 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3i1u h LYS 231 CO -0.13 0.23 0.34 0.66 -2.27 0.00 0.00 179.45 178.28 3i1u h SER 232 N 0.02 0.09 0.25 4.20 4.64 -0.81 0.95 113.55 122.89 3i1u h SER 232 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3i1u h SER 232 Cb 0.38 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3i1u h SER 232 CO 0.03 0.05 -0.12 0.25 -0.87 0.00 0.00 176.83 176.17 3i1u h LEU 233 N 0.09 -0.28 -0.73 5.97 5.85 -1.64 -3.41 115.31 121.17 3i1u h LEU 233 Ca 0.23 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3i1u h LEU 233 Cb 0.80 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3i1u h LEU 233 CO -0.02 0.22 0.00 -1.22 -0.34 0.00 0.00 178.44 177.08 3i1u n TYR 234 N -5.00 0.00 -0.70 1.25 4.01 -1.22 -5.01 117.16 110.49 3i1u n TYR 234 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 3i1u n TYR 234 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 3i1u n TYR 234 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i1u n GLY 235 N 0.01 0.61 3.69 2.72 0.00 0.33 -5.02 105.19 107.53 3i1u n GLY 235 Ca 0.00 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 3i1u n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1u s THR 236 N -2.00 3.40 -0.18 2.61 2.01 -1.26 -4.97 115.64 115.25 3i1u s THR 236 Ca 0.00 0.79 -0.17 0.00 0.31 0.00 0.00 61.69 62.63 3i1u s THR 236 Cb 0.00 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 3i1u s THR 236 CO 0.00 -0.01 0.44 -0.55 -0.69 0.00 0.00 174.62 173.81 3i1u s SER 237 N 2.24 6.51 0.07 3.53 0.15 -1.26 -4.08 113.70 120.87 3i1u s SER 237 Ca 0.69 0.61 0.07 0.00 0.70 0.00 0.00 55.95 58.02 3i1u s SER 237 Cb -0.35 -2.25 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 3i1u s SER 237 CO 0.29 -0.08 -0.15 -0.31 1.20 0.00 0.00 173.24 174.19 3i1u s TYR 238 N 1.23 2.62 0.28 3.44 1.51 -1.26 -4.88 117.35 120.29 3i1u s TYR 238 Ca 0.21 -0.22 0.03 0.00 -1.01 0.00 0.00 57.07 56.08 3i1u s TYR 238 Cb -0.15 -1.44 -0.03 0.00 -0.11 0.00 0.00 41.96 40.23 3i1u s TYR 238 CO 0.09 0.34 0.44 0.15 -1.11 0.00 0.00 175.55 175.46 3i1u s LYS 239 N -1.79 3.47 0.04 -0.62 1.02 -0.71 -4.98 119.74 116.15 3i1u s LYS 239 Ca 0.17 -0.54 -0.10 0.00 0.02 0.00 0.00 55.97 55.52 3i1u s LYS 239 Cb -0.11 -2.79 0.01 0.00 -0.52 0.00 0.00 37.83 34.42 3i1u s LYS 239 CO 0.09 0.30 0.21 1.52 -0.92 0.00 0.00 175.35 176.55 3i1u s TYR 240 N -2.12 0.03 -5.00 3.18 1.13 -1.26 -0.90 117.35 112.40 3i1u s TYR 240 Ca 0.37 -0.22 0.00 0.00 -1.41 0.00 0.00 57.07 55.81 3i1u s TYR 240 Cb -0.09 -0.01 0.00 0.00 -1.10 0.00 0.00 41.96 40.76 3i1u s TYR 240 CO 0.32 -0.43 0.00 0.41 -2.51 0.00 0.00 175.55 173.34 3i1u n GLY 241 N 0.74 -1.64 3.75 5.49 0.00 -0.99 -4.98 105.19 107.55 3i1u n GLY 241 Ca -0.19 -1.39 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 3i1u n GLY 241 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i1u s SER 242 N -2.02 4.85 0.17 1.61 1.04 -1.26 -1.96 113.70 116.12 3i1u s SER 242 Ca 0.00 2.23 -0.21 0.00 0.48 0.00 0.00 55.95 58.45 3i1u s SER 242 Cb 0.00 -2.58 0.08 0.00 0.10 0.00 0.00 66.02 63.62 3i1u s SER 242 CO 0.00 -1.81 1.62 0.40 0.98 0.00 0.00 173.24 174.43 3i1u h ILE 243 N 0.20 0.36 -0.19 -1.02 2.04 -1.07 -1.14 117.51 116.69 3i1u h ILE 243 Ca -0.48 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.31 3i1u h ILE 243 Cb 1.28 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3i1u h ILE 243 CO 0.53 0.00 -0.19 -0.29 0.00 0.00 0.00 178.15 178.20 3i1u h ILE 244 N -0.18 1.22 0.00 -0.67 2.10 -1.42 -0.79 117.51 117.77 3i1u h ILE 244 Ca 0.18 -1.02 0.00 0.00 1.08 0.00 0.00 64.86 65.11 3i1u h ILE 244 Cb 0.47 1.29 0.00 0.00 -1.09 0.00 0.00 36.82 37.49 3i1u h ILE 244 CO -0.48 0.32 -0.59 0.71 -1.08 0.00 0.00 178.15 177.02 3i1u h THR 245 N 0.29 0.00 0.00 2.19 1.35 -1.75 -3.37 112.91 111.62 3i1u h THR 245 Ca 0.05 -0.72 -0.13 0.00 -0.55 0.00 0.00 66.41 65.06 3i1u h THR 245 Cb 0.51 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 3i1u h THR 245 CO 0.03 0.00 -1.49 0.41 -0.25 0.00 0.00 175.52 174.22 3i1u n THR 246 N -2.45 0.49 0.03 6.82 -1.04 -0.46 -4.92 114.28 112.75 3i1u n THR 246 Ca 0.03 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 3i1u n THR 246 Cb 0.49 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.18 3i1u n THR 246 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i1u n ILE 247 N -2.34 0.71 -3.60 12.58 3.06 -0.33 -5.07 119.36 124.36 3i1u n ILE 247 Ca -0.12 0.23 0.00 0.00 -2.50 0.00 0.00 62.75 60.36 3i1u n ILE 247 Cb 0.72 -1.34 -0.01 0.00 0.54 0.00 0.00 39.64 39.56 3i1u n ILE 247 CO 0.00 0.00 0.00 -0.72 -2.50 0.00 0.00 176.55 173.33 3i1u s TYR 248 N -1.57 -0.03 0.22 9.51 -0.00 -1.01 -5.03 117.35 119.43 3i1u s TYR 248 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.07 56.77 3i1u s TYR 248 Cb 0.00 0.51 -0.10 0.00 -0.00 0.00 0.00 41.96 42.37 3i1u s TYR 248 CO 0.00 -0.07 1.52 -1.14 -0.00 0.00 0.00 175.55 175.86 3i1u s GLN 249 N -2.12 4.22 -0.17 -3.49 0.74 -1.26 -3.82 119.66 113.75 3i1u s GLN 249 Ca 0.13 2.37 -0.10 0.00 0.05 0.00 0.00 55.36 57.82 3i1u s GLN 249 Cb 0.03 -3.12 0.06 0.00 1.10 0.00 0.00 33.01 31.08 3i1u s GLN 249 CO -0.04 -0.54 0.41 0.00 -0.55 0.00 0.00 175.29 174.57 3i1u s ALA 250 N 0.51 -1.06 0.07 1.58 0.00 -0.51 -4.50 121.76 117.85 3i1u s ALA 250 Ca 0.65 1.53 0.06 0.00 0.00 0.00 0.00 51.96 54.19 3i1u s ALA 250 Cb -0.44 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 3i1u s ALA 250 CO 0.39 -0.26 -0.08 -1.54 0.00 0.00 0.00 175.76 174.27 3i1u s SER 251 N 1.35 4.56 -0.61 0.00 1.04 -0.87 -2.17 113.70 117.00 3i1u s SER 251 Ca -0.09 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.05 3i1u s SER 251 Cb -0.08 -0.96 0.00 0.00 0.10 0.00 0.00 66.02 65.08 3i1u s SER 251 CO -0.12 0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.91 3i1u n GLY 252 N 0.93 0.40 3.83 7.32 0.00 -0.09 -4.41 105.19 113.16 3i1u n GLY 252 Ca -0.13 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 3i1u n GLY 252 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i1u s GLY 253 N -2.79 2.40 0.20 -0.02 0.00 -1.24 -1.11 107.32 104.75 3i1u s GLY 253 Ca 0.00 0.31 -0.08 0.00 0.00 0.00 0.00 44.72 44.95 3i1u s GLY 253 CO 0.00 0.58 1.66 1.48 0.00 0.00 0.00 173.10 176.82 3i1u h SER 254 N 2.07 1.00 1.13 1.64 4.64 -1.90 -2.74 113.55 119.39 3i1u h SER 254 Ca -0.49 -0.28 -0.03 0.00 -0.47 0.00 0.00 61.79 60.52 3i1u h SER 254 Cb 1.18 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 63.00 3i1u h SER 254 CO 0.62 1.06 -0.16 0.16 -0.87 0.00 0.00 176.83 177.64 3i1u h ILE 255 N 0.93 0.36 -0.34 0.95 3.07 -1.93 -0.35 117.51 120.20 3i1u h ILE 255 Ca 0.16 -1.03 -0.12 0.00 1.55 0.00 0.00 64.86 65.42 3i1u h ILE 255 Cb 0.56 1.78 -0.01 0.00 -0.27 0.00 0.00 36.82 38.88 3i1u h ILE 255 CO 0.03 0.16 -0.26 0.44 -1.05 0.00 0.00 178.15 177.47 3i1u h ASP 256 N 0.00 0.82 0.04 2.16 3.32 -1.89 -1.31 116.42 119.56 3i1u h ASP 256 Ca -0.00 -0.44 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 3i1u h ASP 256 Cb 0.77 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3i1u h ASP 256 CO 0.02 1.09 -0.02 -0.25 -1.72 0.00 0.00 179.24 178.36 3i1u h TRP 257 N 0.55 -0.05 -0.68 4.55 7.01 -1.23 -2.15 115.95 123.94 3i1u h TRP 257 Ca 0.06 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.03 3i1u h TRP 257 Cb 0.83 0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.87 3i1u h TRP 257 CO 0.07 0.06 0.30 0.66 -2.79 0.00 0.00 178.44 176.74 3i1u h SER 258 N -0.16 0.91 -0.36 2.65 4.64 -1.06 -1.08 113.55 119.09 3i1u h SER 258 Ca -0.01 -0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 61.15 3i1u h SER 258 Cb 0.14 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 3i1u h SER 258 CO 0.01 0.81 0.16 0.22 -0.87 0.00 0.00 176.83 177.16 3i1u h TYR 259 N 0.95 0.54 0.00 4.77 3.20 -1.26 -1.28 116.97 123.89 3i1u h TYR 259 Ca 0.23 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 3i1u h TYR 259 Cb 0.16 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 3i1u h TYR 259 CO 0.01 0.48 -0.09 -0.91 -1.64 0.00 0.00 178.16 176.00 3i1u h ASN 260 N 0.44 0.00 0.99 -2.11 2.35 -0.99 -0.82 115.58 115.45 3i1u h ASN 260 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3i1u h ASN 260 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3i1u h ASN 260 CO -0.01 0.09 0.00 0.00 -1.65 0.00 0.00 177.43 175.86 3i1u n GLN 261 N -3.54 0.02 0.00 0.81 1.13 -0.44 -4.91 117.38 110.45 3i1u n GLN 261 Ca -0.02 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 3i1u n GLN 261 Cb 0.23 -1.53 0.00 0.00 0.11 0.00 0.00 30.24 29.05 3i1u n GLN 261 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i1u n GLY 262 N 1.34 1.08 3.47 1.08 0.00 -0.31 -5.07 105.19 106.79 3i1u n GLY 262 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3i1u n GLY 262 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i1u s ILE 263 N -2.00 4.22 0.11 -0.61 1.01 -0.52 -4.91 121.20 118.50 3i1u s ILE 263 Ca 0.00 -0.19 -0.18 0.00 0.00 0.00 0.00 60.65 60.27 3i1u s ILE 263 Cb 0.00 -4.72 -0.05 0.00 0.01 0.00 0.00 42.46 37.70 3i1u s ILE 263 CO 0.00 -1.51 1.64 0.50 0.00 0.00 0.00 174.94 175.57 3i1u h LYS 264 N 9.64 0.44 -4.36 2.79 3.64 -1.86 -3.32 116.57 123.54 3i1u h LYS 264 Ca -0.29 -0.09 -0.74 0.00 -1.27 0.00 0.00 60.65 58.27 3i1u h LYS 264 Cb 1.07 -0.07 -0.15 0.00 -0.41 0.00 0.00 32.23 32.67 3i1u h LYS 264 CO 1.20 0.47 1.84 0.66 -2.27 0.00 0.00 179.45 181.35 3i1u n TYR 265 N -4.73 4.09 -3.90 1.91 4.01 -1.22 -4.92 117.16 112.40 3i1u n TYR 265 Ca -0.02 -3.06 -0.35 0.00 -0.16 0.00 0.00 57.90 54.30 3i1u n TYR 265 Cb 0.14 -2.18 -0.14 0.00 -0.31 0.00 0.00 39.34 36.86 3i1u n TYR 265 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3i1u s SER 266 N 2.29 4.55 0.02 7.72 0.01 -1.25 -1.07 113.70 125.97 3i1u s SER 266 Ca 0.43 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.92 3i1u s SER 266 Cb 0.04 -1.73 -0.02 0.00 0.21 0.00 0.00 66.02 64.52 3i1u s SER 266 CO 0.00 -0.13 -0.03 -0.36 0.41 0.00 0.00 173.24 173.13 3i1u s PHE 267 N 1.39 0.28 -0.13 2.43 0.08 -0.69 -4.33 117.98 117.00 3i1u s PHE 267 Ca 0.01 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.70 3i1u s PHE 267 Cb -0.17 -0.19 0.00 0.00 -0.57 0.00 0.00 43.02 42.10 3i1u s PHE 267 CO -0.02 -0.12 -0.20 0.99 -0.10 0.00 0.00 175.22 175.76 3i1u s THR 268 N -1.06 2.25 0.11 0.64 2.01 0.07 -1.48 115.64 118.17 3i1u s THR 268 Ca -0.11 -0.93 -0.20 0.00 0.31 0.00 0.00 61.69 60.77 3i1u s THR 268 Cb -0.07 -1.90 -0.07 0.00 0.01 0.00 0.00 72.50 70.46 3i1u s THR 268 CO -0.01 0.54 0.62 -0.36 -0.69 0.00 0.00 174.62 174.73 3i1u s PHE 269 N 0.70 3.80 -0.32 4.92 0.40 -0.51 -0.67 117.98 126.30 3i1u s PHE 269 Ca -0.09 1.33 -0.03 0.00 -0.60 0.00 0.00 56.93 57.55 3i1u s PHE 269 Cb -0.16 -2.55 0.06 0.00 0.51 0.00 0.00 43.02 40.88 3i1u s PHE 269 CO 0.01 0.54 0.04 -1.21 0.70 0.00 0.00 175.22 175.31 3i1u s GLU 270 N -1.26 2.39 0.44 0.44 0.41 0.36 -0.71 118.70 120.77 3i1u s GLU 270 Ca 0.32 -1.34 -0.08 0.00 -0.41 0.00 0.00 54.97 53.47 3i1u s GLU 270 Cb -0.20 -3.28 0.10 0.00 -1.78 0.00 0.00 34.13 28.98 3i1u s GLU 270 CO 0.21 -0.69 0.54 1.28 -0.49 0.00 0.00 175.26 176.10 3i1u n LEU 271 N 4.64 0.00 -4.63 1.80 4.77 0.09 -1.16 117.00 122.51 3i1u n LEU 271 Ca -0.11 -0.59 -0.34 0.00 -0.03 0.00 0.00 56.01 54.94 3i1u n LEU 271 Cb 0.43 -0.43 0.11 0.00 -2.33 0.00 0.00 43.42 41.20 3i1u n LEU 271 CO 0.28 -1.06 0.58 0.54 -1.33 0.00 0.00 177.39 176.40 3i1u n ARG 272 N -2.39 0.29 0.00 3.23 1.74 -1.26 -1.78 116.66 116.49 3i1u n ARG 272 Ca 0.07 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 3i1u n ARG 272 Cb 0.25 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.40 3i1u n ARG 272 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3i1u n ASP 273 N -2.36 0.00 -0.58 0.55 5.68 -1.26 -4.68 116.55 113.89 3i1u n ASP 273 Ca 0.13 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.51 3i1u n ASP 273 Cb 0.50 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.52 3i1u n ASP 273 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3i1u n THR 274 N 0.00 0.00 0.00 2.12 -2.24 -1.26 -1.20 114.28 111.70 3i1u n THR 274 Ca 0.00 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3i1u n THR 274 Cb 0.00 1.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 3i1u n THR 274 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1u n GLY 275 N 1.12 0.45 0.16 3.38 0.00 -1.26 -4.82 105.19 104.22 3i1u n GLY 275 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 3i1u n GLY 275 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3i1u h ARG 276 N 0.00 -0.17 0.00 1.61 2.43 -2.02 -3.32 114.38 112.91 3i1u h ARG 276 Ca 0.00 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3i1u h ARG 276 Cb 0.00 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3i1u h ARG 276 CO 0.00 -0.11 -1.40 0.66 -1.51 0.00 0.00 179.97 177.61 3i1u n TYR 277 N -5.25 0.00 0.00 2.20 4.01 -1.26 -5.08 117.16 111.77 3i1u n TYR 277 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 3i1u n TYR 277 Cb 0.18 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 3i1u n TYR 277 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i1u n GLY 278 N 2.01 3.69 0.25 2.72 0.00 -1.25 -1.67 105.19 110.95 3i1u n GLY 278 Ca -0.02 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.08 3i1u n GLY 278 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3i1u h PHE 279 N 0.00 0.00 -0.71 1.61 0.04 -1.93 -3.03 116.94 112.92 3i1u h PHE 279 Ca 0.00 0.00 -0.42 0.00 2.80 0.00 0.00 57.97 60.35 3i1u h PHE 279 Cb 0.00 0.00 -0.22 0.00 2.20 0.00 0.00 35.95 37.93 3i1u h PHE 279 CO 0.00 0.14 0.54 1.28 -0.60 0.00 0.00 178.31 179.67 3i1u n LEU 280 N -3.40 6.25 -4.64 1.54 4.77 -0.67 -4.50 117.00 116.36 3i1u n LEU 280 Ca -0.01 -3.32 -0.48 0.00 -0.03 0.00 0.00 56.01 52.17 3i1u n LEU 280 Cb 0.33 -0.86 -0.05 0.00 -2.33 0.00 0.00 43.42 40.51 3i1u n LEU 280 CO 0.30 1.08 1.04 -0.11 -1.33 0.00 0.00 177.39 178.37 3i1u n LEU 281 N -0.49 2.48 -4.77 2.23 7.94 -1.14 -4.91 117.00 118.34 3i1u n LEU 281 Ca 0.44 1.11 -0.33 0.00 -1.11 0.00 0.00 56.01 56.11 3i1u n LEU 281 Cb 1.04 -1.33 0.05 0.00 0.53 0.00 0.00 43.42 43.71 3i1u n LEU 281 CO 0.49 -0.65 0.75 -2.16 -1.11 0.00 0.00 177.39 174.71 3i1u s PRO 282 N 0.52 2.77 0.56 1.96 0.04 -1.26 -4.90 135.00 134.68 3i1u s PRO 282 Ca 0.79 1.45 0.23 0.00 0.04 0.00 0.00 61.00 63.52 3i1u s PRO 282 Cb -0.78 -1.94 1.53 0.00 0.04 0.00 0.00 34.50 33.35 3i1u s PRO 282 CO 0.43 -1.29 2.18 0.00 0.04 0.00 0.00 177.00 178.37 3i1u h ALA 283 N 0.09 1.82 0.00 8.56 0.00 -1.91 -1.11 119.26 126.71 3i1u h ALA 283 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3i1u h ALA 283 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3i1u h ALA 283 CO 0.54 -0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.59 3i1u n SER 284 N -4.19 0.27 -0.85 0.00 3.41 -1.26 -1.44 113.62 109.56 3i1u n SER 284 Ca -0.02 0.60 0.10 0.00 -0.26 0.00 0.00 58.87 59.29 3i1u n SER 284 Cb 0.14 -0.64 0.11 0.00 -0.26 0.00 0.00 64.21 63.55 3i1u n SER 284 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i1u n GLN 285 N -1.84 1.93 0.27 4.33 6.02 -0.42 -4.64 117.38 123.03 3i1u n GLN 285 Ca 0.01 -1.80 -0.16 0.00 -0.01 0.00 0.00 57.00 55.04 3i1u n GLN 285 Cb 0.09 -1.40 -0.08 0.00 1.02 0.00 0.00 30.24 29.87 3i1u n GLN 285 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3i1u h ILE 286 N 3.96 0.54 0.03 5.09 2.04 -1.35 -1.78 117.51 126.04 3i1u h ILE 286 Ca 0.00 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 3i1u h ILE 286 Cb 0.86 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3i1u h ILE 286 CO 0.00 0.00 -0.01 0.40 0.00 0.00 0.00 178.15 178.54 3i1u h ILE 287 N -0.64 1.10 -0.57 -0.67 2.04 -1.82 0.13 117.51 117.08 3i1u h ILE 287 Ca -0.06 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 3i1u h ILE 287 Cb 0.49 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3i1u h ILE 287 CO 0.11 0.10 0.27 1.55 0.00 0.00 0.00 178.15 180.17 3i1u h PRO 288 N -0.20 0.80 -0.14 2.37 0.13 -1.85 0.47 132.00 133.58 3i1u h PRO 288 Ca -0.00 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 3i1u h PRO 288 Cb 0.19 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 3i1u h PRO 288 CO 0.01 0.62 0.08 1.15 -0.23 0.00 0.00 178.00 179.63 3i1u h THR 289 N 0.80 1.02 -0.58 1.56 2.02 -1.10 -2.10 112.91 114.54 3i1u h THR 289 Ca 0.20 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 3i1u h THR 289 Cb 0.09 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 3i1u h THR 289 CO -0.03 0.03 0.25 0.00 0.37 0.00 0.00 175.52 176.15 3i1u h ALA 290 N 1.06 0.75 0.04 6.16 0.00 -0.47 -1.13 119.26 125.65 3i1u h ALA 290 Ca 0.05 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3i1u h ALA 290 Cb -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3i1u h ALA 290 CO -0.02 0.34 -0.05 1.96 0.00 0.00 0.00 179.25 181.48 3i1u h GLN 291 N 0.79 -0.11 -0.36 0.00 4.20 -0.82 -0.08 115.11 118.73 3i1u h GLN 291 Ca 0.19 0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.77 3i1u h GLN 291 Cb 0.17 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3i1u h GLN 291 CO -0.02 -0.07 -0.35 1.05 -0.67 0.00 0.00 178.83 178.77 3i1u h GLU 292 N -0.11 0.83 -0.73 1.46 4.11 -1.31 -3.02 114.58 115.81 3i1u h GLU 292 Ca 0.01 -0.41 -0.05 0.00 0.07 0.00 0.00 59.36 58.98 3i1u h GLU 292 Cb 0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3i1u h GLU 292 CO -0.03 1.05 0.26 1.15 0.07 0.00 0.00 179.01 181.51 3i1u h THR 293 N 0.69 1.25 -0.79 -1.06 2.02 -1.09 -2.33 112.91 111.60 3i1u h THR 293 Ca 0.07 -0.84 0.11 0.00 0.77 0.00 0.00 66.41 66.52 3i1u h THR 293 Cb 0.91 0.42 -0.08 0.00 -1.74 0.00 0.00 68.15 67.66 3i1u h THR 293 CO 0.08 0.33 0.42 -0.25 0.37 0.00 0.00 175.52 176.47 3i1u h TRP 294 N 1.07 0.74 -0.88 3.16 -0.00 -0.89 -0.16 115.95 119.00 3i1u h TRP 294 Ca 0.24 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 59.16 3i1u h TRP 294 Cb 0.25 -0.21 -0.04 0.00 -0.00 0.00 0.00 29.16 29.16 3i1u h TRP 294 CO 0.02 0.24 0.53 -0.07 -0.00 0.00 0.00 178.44 179.16 3i1u h LEU 295 N 0.66 1.06 -0.29 0.65 3.38 -1.33 0.16 115.31 119.60 3i1u h LEU 295 Ca 0.41 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.28 3i1u h LEU 295 Cb 0.47 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3i1u h LEU 295 CO -0.30 0.82 0.04 1.23 0.09 0.00 0.00 178.44 180.32 3i1u h GLY 296 N 1.23 0.52 0.88 0.83 0.00 -1.11 -2.08 103.07 103.34 3i1u h GLY 296 Ca 0.32 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 3i1u h GLY 296 CO -0.06 0.32 0.06 -2.08 0.00 0.00 0.00 176.54 174.78 3i1u h VAL 297 N 0.30 1.22 -0.97 4.60 2.07 -0.68 -2.41 116.25 120.38 3i1u h VAL 297 Ca 0.09 -0.75 0.07 0.00 0.82 0.00 0.00 66.70 66.93 3i1u h VAL 297 Cb 0.35 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 3i1u h VAL 297 CO 0.01 0.24 0.62 0.25 0.02 0.00 0.00 177.57 178.71 3i1u h LEU 298 N 0.28 0.97 -0.48 2.57 5.85 -0.72 -0.92 115.31 122.86 3i1u h LEU 298 Ca 0.09 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.84 3i1u h LEU 298 Cb 0.31 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3i1u h LEU 298 CO 0.00 0.61 0.30 0.74 -0.34 0.00 0.00 178.44 179.75 3i1u h THR 299 N 1.10 1.07 -0.55 1.05 2.02 -1.10 -0.03 112.91 116.47 3i1u h THR 299 Ca 0.43 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.40 3i1u h THR 299 Cb 0.21 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3i1u h THR 299 CO -0.19 0.11 0.32 0.40 0.37 0.00 0.00 175.52 176.54 3i1u h ILE 300 N 0.60 1.17 -0.96 3.11 2.04 -0.90 -2.43 117.51 120.14 3i1u h ILE 300 Ca 0.19 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3i1u h ILE 300 Cb -0.01 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 3i1u h ILE 300 CO -0.07 0.18 0.62 0.24 0.00 0.00 0.00 178.15 179.11 3i1u h MET 301 N 0.74 1.29 -0.78 2.37 2.86 -0.70 -2.02 114.93 118.68 3i1u h MET 301 Ca 0.20 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3i1u h MET 301 Cb 0.00 -0.28 -0.04 0.00 0.06 0.00 0.00 31.60 31.34 3i1u h MET 301 CO -0.04 0.87 0.49 0.93 1.06 0.00 0.00 176.91 180.22 3i1u h GLU 302 N 1.32 1.05 0.00 1.72 5.08 -0.71 -1.16 114.58 121.87 3i1u h GLU 302 Ca 0.35 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 3i1u h GLU 302 Cb -0.12 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.90 3i1u h GLU 302 CO -0.07 0.72 -0.35 0.45 -1.00 0.00 0.00 179.01 178.76 3i1u h HIS 303 N 1.07 0.00 0.12 4.33 3.86 -0.93 -3.22 115.15 120.38 3i1u h HIS 303 Ca 0.28 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.20 3i1u h HIS 303 Cb -0.07 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.43 3i1u h HIS 303 CO 0.00 0.35 -1.24 1.15 0.86 0.00 0.00 177.93 179.06 3i1u h THR 304 N 0.00 1.30 0.00 2.45 2.02 -0.62 -3.52 112.91 114.54 3i1u h THR 304 Ca -0.00 -2.49 0.00 0.00 0.77 0.00 0.00 66.41 64.69 3i1u h THR 304 Cb 0.79 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.89 3i1u h THR 304 CO 0.05 0.76 0.00 0.55 0.37 0.00 0.00 175.52 177.24