#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4i s ASP 3 N 0.00 6.07 0.43 -3.46 2.15 -1.26 -4.97 116.67 115.63 1y4i s ASP 3 Ca 0.00 0.16 0.21 0.00 0.43 0.00 0.00 52.55 53.36 1y4i s ASP 3 Cb 0.00 -2.07 1.18 0.00 -0.30 0.00 0.00 42.92 41.73 1y4i s ASP 3 CO 0.00 0.14 1.79 0.00 -0.17 0.00 0.00 175.17 176.93 1y4i n ARG 5 N -4.54 0.10 0.04 0.00 1.74 -1.26 -2.95 116.66 109.79 1y4i n ARG 5 Ca 0.25 0.14 0.11 0.00 -0.77 0.00 0.00 57.85 57.57 1y4i n ARG 5 Cb 0.92 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.86 1y4i n ARG 5 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1y4i n THR 6 N -1.42 0.27 -1.78 0.55 -2.24 -0.28 -4.96 114.28 104.41 1y4i n THR 6 Ca 0.07 -0.34 -0.30 0.00 -2.27 0.00 0.00 64.05 61.20 1y4i n THR 6 Cb 0.21 0.03 0.06 0.00 -2.10 0.00 0.00 70.33 68.53 1y4i n THR 6 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1y4i s TYR 7 N -3.27 3.19 1.08 4.78 2.02 -1.15 -5.05 117.35 118.94 1y4i s TYR 7 Ca 0.02 1.10 -0.12 0.00 -0.37 0.00 0.00 57.07 57.70 1y4i s TYR 7 Cb 0.13 -3.07 0.24 0.00 -0.40 0.00 0.00 41.96 38.86 1y4i s TYR 7 CO 0.80 -1.33 1.07 0.20 -1.57 0.00 0.00 175.55 174.72 1y4i s GLY 8 N -4.21 1.59 0.22 0.71 0.00 -1.26 -4.72 107.32 99.66 1y4i s GLY 8 Ca 0.59 0.13 -0.02 0.00 0.00 0.00 0.00 44.72 45.41 1y4i s GLY 8 CO 0.53 0.74 1.59 -2.75 0.00 0.00 0.00 173.10 173.21 1y4i h PHE 9 N -2.38 0.71 -0.33 1.90 3.57 -1.98 -0.63 116.94 117.79 1y4i h PHE 9 Ca -0.55 -0.20 -0.16 0.00 3.53 0.00 0.00 57.97 60.59 1y4i h PHE 9 Cb 1.31 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 1y4i h PHE 9 CO 0.35 0.90 -0.42 -0.91 -2.23 0.00 0.00 178.31 176.00 1y4i h ASN 10 N 0.49 0.89 -0.62 0.41 2.35 -1.99 0.50 115.58 117.61 1y4i h ASN 10 Ca 0.04 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1y4i h ASN 10 Cb 0.90 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.99 1y4i h ASN 10 CO 0.08 1.19 0.41 0.74 -1.65 0.00 0.00 177.43 178.19 1y4i h THR 11 N 0.67 1.16 -0.33 2.81 2.02 -1.82 -1.80 112.91 115.64 1y4i h THR 11 Ca 0.05 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1y4i h THR 11 Cb 0.99 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1y4i h THR 11 CO 0.10 0.16 0.18 1.56 0.37 0.00 0.00 175.52 177.88 1y4i h GLN 12 N 0.84 0.46 -0.54 6.66 4.20 -0.78 -0.38 115.11 125.57 1y4i h GLN 12 Ca 0.23 -0.06 0.11 0.00 0.06 0.00 0.00 58.65 58.99 1y4i h GLN 12 Cb -0.08 -0.09 -0.11 0.00 0.30 0.00 0.00 27.48 27.50 1y4i h GLN 12 CO -0.05 0.39 -0.16 0.82 -0.67 0.00 0.00 178.83 179.16 1y4i h ILE 13 N 0.40 0.41 -0.23 2.54 2.04 -0.62 0.13 117.51 122.18 1y4i h ILE 13 Ca 0.11 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.88 1y4i h ILE 13 Cb 0.07 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1y4i h ILE 13 CO -0.02 0.00 -0.21 0.58 0.00 0.00 0.00 178.15 178.50 1y4i h VAL 14 N -0.03 1.32 0.00 1.67 2.07 -1.18 -3.41 116.25 116.68 1y4i h VAL 14 Ca 0.26 -1.37 -0.28 0.00 0.82 0.00 0.00 66.70 66.13 1y4i h VAL 14 Cb 0.43 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 1y4i h VAL 14 CO -0.58 0.42 -2.07 1.41 0.02 0.00 0.00 177.57 176.78 1y4i n HIS 15 N -4.40 0.00 -1.72 1.57 8.25 -0.16 -4.91 115.22 113.85 1y4i n HIS 15 Ca -0.05 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.99 1y4i n HIS 15 Cb 0.42 -0.77 -0.02 0.00 1.12 0.00 0.00 29.99 30.74 1y4i n HIS 15 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y4i n ALA 16 N -2.60 2.03 -0.57 -1.41 0.00 0.42 -1.27 120.51 117.11 1y4i n ALA 16 Ca -0.26 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1y4i n ALA 16 Cb 1.00 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 18.06 1y4i n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y4i n GLY 17 N 2.06 1.48 3.28 0.00 0.00 -1.26 -4.05 105.19 106.70 1y4i n GLY 17 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1y4i n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1y4i s GLN 18 N -0.10 1.66 0.06 1.61 -0.21 -0.40 -4.44 119.66 117.84 1y4i s GLN 18 Ca 0.00 -0.95 -0.04 0.00 0.02 0.00 0.00 55.36 54.38 1y4i s GLN 18 Cb 0.00 -1.74 -0.02 0.00 1.00 0.00 0.00 33.01 32.25 1y4i s GLN 18 CO 0.00 0.46 0.07 1.14 -2.12 0.00 0.00 175.29 174.84 1y4i s GLN 19 N -0.99 0.69 0.42 2.91 -2.07 -1.26 -4.94 119.66 114.41 1y4i s GLN 19 Ca 0.09 -1.04 -0.25 0.00 -1.82 0.00 0.00 55.36 52.34 1y4i s GLN 19 Cb -0.09 0.26 -0.10 0.00 -1.09 0.00 0.00 33.01 31.99 1y4i s GLN 19 CO 0.01 -0.17 1.17 -2.30 -1.32 0.00 0.00 175.29 172.68 1y4i n PRO 20 N 0.17 1.68 -1.68 9.60 -0.02 -1.26 -4.77 135.00 138.71 1y4i n PRO 20 Ca -0.15 0.60 -0.45 0.00 -2.02 0.00 0.00 63.50 61.48 1y4i n PRO 20 Cb 0.61 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.80 1y4i n PRO 20 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1y4i n ASP 21 N 0.28 3.48 -0.31 2.55 2.03 0.06 -4.84 116.55 119.80 1y4i n ASP 21 Ca 0.08 1.05 -0.03 0.00 0.52 0.00 0.00 54.79 56.40 1y4i n ASP 21 Cb 0.39 -1.47 0.11 0.00 -0.72 0.00 0.00 41.12 39.44 1y4i n ASP 21 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1y4i h PRO 22 N 6.98 1.21 0.00 -0.67 0.11 -1.91 0.35 132.00 138.07 1y4i h PRO 22 Ca -0.45 -0.15 -0.13 0.00 0.11 0.00 0.00 66.00 65.38 1y4i h PRO 22 Cb 1.24 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1y4i h PRO 22 CO 0.92 0.89 -0.60 0.66 -0.21 0.00 0.00 178.00 179.66 1y4i h SER 23 N 1.21 0.00 0.00 -2.05 4.64 -2.00 -3.39 113.55 111.96 1y4i h SER 23 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1y4i h SER 23 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1y4i h SER 23 CO -0.05 0.60 -0.90 0.35 -0.87 0.00 0.00 176.83 175.97 1y4i n THR 24 N -3.28 0.00 -0.95 2.95 -2.24 -1.17 -5.02 114.28 104.57 1y4i n THR 24 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1y4i n THR 24 Cb 0.76 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1y4i n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y4i n GLY 25 N 2.39 0.70 3.66 3.38 0.00 0.12 -4.98 105.19 110.46 1y4i n GLY 25 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.48 1y4i n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y4i n ALA 26 N 1.00 -0.34 -0.03 4.61 0.00 -1.26 -4.49 120.51 120.00 1y4i n ALA 26 Ca 0.00 0.43 -0.13 0.00 0.00 0.00 0.00 53.44 53.74 1y4i n ALA 26 Cb 0.03 -2.19 -0.11 0.00 0.00 0.00 0.00 19.45 17.17 1y4i n ALA 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1y4i h LEU 27 N 6.26 -0.01 -9.76 0.00 5.85 -1.94 0.20 115.31 115.91 1y4i h LEU 27 Ca -0.47 -0.66 -0.53 0.00 0.84 0.00 0.00 57.88 57.06 1y4i h LEU 27 Cb 1.32 0.00 0.06 0.00 0.37 0.00 0.00 40.66 42.41 1y4i h LEU 27 CO 0.88 0.67 0.77 -0.55 -0.34 0.00 0.00 178.44 179.87 1y4i s SER 28 N -5.87 6.63 -0.14 1.25 0.15 -1.26 -4.55 113.70 109.91 1y4i s SER 28 Ca -0.17 2.70 -0.38 0.00 0.70 0.00 0.00 55.95 58.80 1y4i s SER 28 Cb -0.00 -2.63 -0.15 0.00 -1.71 0.00 0.00 66.02 61.53 1y4i s SER 28 CO 0.66 -0.72 1.64 0.41 1.20 0.00 0.00 173.24 176.43 1y4i n THR 29 N 2.19 0.23 -1.80 6.45 -1.04 -1.26 -4.77 114.28 114.28 1y4i n THR 29 Ca 0.06 -0.04 -0.39 0.00 -2.04 0.00 0.00 64.05 61.64 1y4i n THR 29 Cb 0.40 -1.18 0.03 0.00 -1.82 0.00 0.00 70.33 67.76 1y4i n THR 29 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1y4i s PRO 30 N 2.61 3.32 -0.63 -2.82 0.02 -1.26 -4.94 135.00 131.30 1y4i s PRO 30 Ca 0.93 2.27 -0.27 0.00 0.02 0.00 0.00 61.00 63.95 1y4i s PRO 30 Cb -0.98 -2.38 0.03 0.00 0.02 0.00 0.00 34.50 31.19 1y4i s PRO 30 CO 0.58 -1.06 1.19 0.42 -0.33 0.00 0.00 177.00 177.80 1y4i s ILE 31 N -1.28 3.96 -1.36 2.83 1.01 -1.26 -4.57 121.20 120.53 1y4i s ILE 31 Ca 0.68 0.67 -0.14 0.00 0.00 0.00 0.00 60.65 61.86 1y4i s ILE 31 Cb -0.41 -4.77 0.08 0.00 0.01 0.00 0.00 42.46 37.37 1y4i s ILE 31 CO 0.50 -1.49 1.96 0.49 0.00 0.00 0.00 174.94 176.40 1y4i n PHE 32 N 8.63 3.92 -2.65 3.97 3.72 -1.26 -4.88 117.46 128.91 1y4i n PHE 32 Ca 0.06 -2.94 -0.43 0.00 -0.05 0.00 0.00 57.45 54.08 1y4i n PHE 32 Cb 0.49 -2.46 0.00 0.00 -0.94 0.00 0.00 39.48 36.57 1y4i n PHE 32 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1y4i n GLN 33 N 6.40 3.38 -4.21 -1.08 -0.06 -1.26 -4.77 117.38 115.79 1y4i n GLN 33 Ca 0.48 -3.60 -0.18 0.00 -2.00 0.00 0.00 57.00 51.70 1y4i n GLN 33 Cb 0.41 -3.09 -0.11 0.00 -4.06 0.00 0.00 30.24 23.39 1y4i n GLN 33 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 1y4i s THR 34 N 1.73 1.20 -0.05 1.69 -1.32 -1.26 -5.03 115.64 112.60 1y4i s THR 34 Ca 0.44 -1.57 0.18 0.00 -1.21 0.00 0.00 61.69 59.53 1y4i s THR 34 Cb 0.03 -1.36 -0.28 0.00 -1.51 0.00 0.00 72.50 69.38 1y4i s THR 34 CO 0.01 -0.37 0.35 -1.54 -2.21 0.00 0.00 174.62 170.86 1y4i n SER 35 N 0.78 0.67 -4.34 8.08 3.41 -1.26 -5.00 113.62 115.97 1y4i n SER 35 Ca -0.17 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.17 1y4i n SER 35 Cb 0.56 1.70 -0.13 0.00 -0.26 0.00 0.00 64.21 66.08 1y4i n SER 35 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1y4i s THR 36 N -3.15 1.99 -0.03 6.66 -4.23 -1.26 -4.72 115.64 110.90 1y4i s THR 36 Ca -0.07 -1.64 0.05 0.00 -1.18 0.00 0.00 61.69 58.85 1y4i s THR 36 Cb 0.11 -1.78 -0.01 0.00 1.34 0.00 0.00 72.50 72.16 1y4i s THR 36 CO 0.77 0.03 -0.20 -0.36 -0.54 0.00 0.00 174.62 174.33 1y4i s PHE 37 N -1.09 1.88 0.16 3.99 0.40 -1.26 -5.06 117.98 116.99 1y4i s PHE 37 Ca 0.10 -0.47 -0.02 0.00 -0.60 0.00 0.00 56.93 55.95 1y4i s PHE 37 Cb -0.10 -1.24 -0.05 0.00 0.51 0.00 0.00 43.02 42.15 1y4i s PHE 37 CO 0.05 -0.12 0.35 0.08 0.70 0.00 0.00 175.22 176.28 1y4i s VAL 38 N -0.21 5.23 0.15 -0.44 1.01 -1.26 -5.12 120.40 119.76 1y4i s VAL 38 Ca 0.01 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.76 1y4i s VAL 38 Cb -0.10 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1y4i s VAL 38 CO 0.01 -0.05 0.12 -0.36 0.00 0.00 0.00 175.10 174.82 1y4i s PHE 39 N -1.73 3.14 -0.91 5.22 0.08 -1.26 -5.03 117.98 117.49 1y4i s PHE 39 Ca 0.38 -0.01 0.26 0.00 0.12 0.00 0.00 56.93 57.69 1y4i s PHE 39 Cb -0.12 -1.53 0.78 0.00 -0.57 0.00 0.00 43.02 41.59 1y4i s PHE 39 CO 0.28 0.52 1.63 -0.40 -0.10 0.00 0.00 175.22 177.14 1y4i n ASP 40 N -0.17 0.39 -3.58 1.36 5.68 -1.26 -4.97 116.55 114.00 1y4i n ASP 40 Ca -0.08 0.18 -0.02 0.00 -0.50 0.00 0.00 54.79 54.37 1y4i n ASP 40 Cb 0.54 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 1y4i n ASP 40 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1y4i s SER 41 N -3.39 -0.07 0.29 -1.12 1.04 -1.26 -5.03 113.70 104.16 1y4i s SER 41 Ca 0.11 -0.45 0.11 0.00 0.48 0.00 0.00 55.95 56.20 1y4i s SER 41 Cb 0.17 0.42 0.41 0.00 0.10 0.00 0.00 66.02 67.12 1y4i s SER 41 CO 0.63 -0.80 1.64 0.00 0.98 0.00 0.00 173.24 175.69 1y4i h ALA 42 N 2.00 1.03 0.61 5.32 0.00 -1.99 -2.66 119.26 123.57 1y4i h ALA 42 Ca -0.26 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.09 1y4i h ALA 42 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1y4i h ALA 42 CO 0.30 0.72 -0.33 0.93 0.00 0.00 0.00 179.25 180.88 1y4i h GLU 43 N 0.00 -0.83 -0.64 0.00 3.07 -1.98 0.23 114.58 114.42 1y4i h GLU 43 Ca -0.01 0.06 0.10 0.00 -0.50 0.00 0.00 59.36 59.01 1y4i h GLU 43 Cb 1.04 0.19 -0.07 0.00 -0.84 0.00 0.00 28.75 29.06 1y4i h GLU 43 CO 0.08 -0.55 0.25 0.37 -1.40 0.00 0.00 179.01 177.75 1y4i h GLN 44 N -0.86 0.43 -0.62 2.33 4.15 -1.96 0.21 115.11 118.79 1y4i h GLN 44 Ca -0.08 -0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.41 1y4i h GLN 44 Cb 0.68 -0.10 -0.07 0.00 0.21 0.00 0.00 27.48 28.20 1y4i h GLN 44 CO 0.11 0.28 0.25 0.78 -1.93 0.00 0.00 178.83 178.32 1y4i h GLY 45 N 0.44 0.88 0.40 2.39 0.00 -1.07 -1.72 103.07 104.40 1y4i h GLY 45 Ca 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 1y4i h GLY 45 CO -0.31 -0.00 -0.19 0.00 0.00 0.00 0.00 176.54 176.03 1y4i h ALA 46 N 1.42 -1.00 -1.13 3.60 0.00 0.11 -3.05 119.26 119.21 1y4i h ALA 46 Ca 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1y4i h ALA 46 Cb 0.37 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1y4i h ALA 46 CO -0.30 -0.96 0.00 0.00 0.00 0.00 0.00 179.25 178.00 1y4i n ALA 47 N -2.32 -0.11 0.65 0.00 0.00 0.59 -1.96 120.51 117.35 1y4i n ALA 47 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.36 1y4i n ALA 47 Cb 0.21 0.26 0.06 0.00 0.00 0.00 0.00 19.45 19.98 1y4i n ALA 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1y4i n ARG 48 N -1.96 1.50 0.00 0.00 1.74 -0.65 0.11 116.66 117.40 1y4i n ARG 48 Ca 0.00 -0.54 0.00 0.00 -0.77 0.00 0.00 57.85 56.54 1y4i n ARG 48 Cb 0.00 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 1y4i n ARG 48 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1y4i n PHE 49 N 0.15 0.00 -0.10 -1.55 7.35 -1.15 -4.53 117.46 117.63 1y4i n PHE 49 Ca 0.07 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.62 1y4i n PHE 49 Cb 0.53 0.00 -0.14 0.00 0.35 0.00 0.00 39.48 40.22 1y4i n PHE 49 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1y4i n ALA 50 N -0.44 1.43 -0.36 3.13 0.00 -0.31 -4.54 120.51 119.40 1y4i n ALA 50 Ca 0.00 -1.14 0.05 0.00 0.00 0.00 0.00 53.44 52.35 1y4i n ALA 50 Cb 0.02 -0.24 0.21 0.00 0.00 0.00 0.00 19.45 19.45 1y4i n ALA 50 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1y4i h LEU 51 N 0.01 0.98 -2.33 0.00 5.85 0.57 -3.47 115.31 116.91 1y4i h LEU 51 Ca -0.53 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.10 1y4i h LEU 51 Cb 2.07 -0.17 0.07 0.00 0.37 0.00 0.00 40.66 43.00 1y4i h LEU 51 CO -0.01 0.57 -0.32 -0.62 -0.34 0.00 0.00 178.44 177.72 1y4i n GLU 52 N -4.56 -1.72 -3.29 1.25 1.02 -1.26 -4.51 120.64 107.56 1y4i n GLU 52 Ca 0.17 0.34 -0.16 0.00 -0.02 0.00 0.00 57.16 57.49 1y4i n GLU 52 Cb 0.28 -3.50 0.07 0.00 -0.02 0.00 0.00 31.44 28.26 1y4i n GLU 52 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1y4i n GLU 53 N -2.20 -2.62 0.00 3.49 1.02 -1.26 -4.95 120.64 114.12 1y4i n GLU 53 Ca -0.07 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 1y4i n GLU 53 Cb 0.56 -5.74 0.00 0.00 -0.02 0.00 0.00 31.44 26.23 1y4i n GLU 53 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1y4i n SER 54 N -3.19 0.44 0.00 1.62 7.64 -1.26 -4.90 113.62 113.97 1y4i n SER 54 Ca -0.09 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 59.03 1y4i n SER 54 Cb 0.62 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 1y4i n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y4i n GLY 55 N 0.27 1.20 0.00 0.23 0.00 -1.26 -5.01 105.19 100.62 1y4i n GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1y4i n GLY 55 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1y4i n TYR 56 N 0.00 0.00 -1.53 1.61 4.19 -1.26 -5.12 117.16 115.05 1y4i n TYR 56 Ca 0.00 0.00 -0.56 0.00 3.31 0.00 0.00 57.90 60.65 1y4i n TYR 56 Cb 0.00 0.00 -0.07 0.00 0.49 0.00 0.00 39.34 39.76 1y4i n TYR 56 CO 0.00 0.00 0.00 1.51 0.91 0.00 0.00 176.86 179.28 1y4i n ILE 57 N -0.03 0.13 -3.96 2.97 0.13 -1.26 -4.96 119.36 112.39 1y4i n ILE 57 Ca 0.00 -0.03 -0.31 0.00 -1.10 0.00 0.00 62.75 61.31 1y4i n ILE 57 Cb 0.17 -0.30 -0.05 0.00 -0.84 0.00 0.00 39.64 38.63 1y4i n ILE 57 CO 0.00 0.00 0.00 -0.31 2.80 0.00 0.00 176.55 179.04 1y4i s TYR 58 N 0.10 3.42 0.19 9.51 2.02 -1.26 -4.62 117.35 126.71 1y4i s TYR 58 Ca 0.87 0.19 -0.05 0.00 -0.37 0.00 0.00 57.07 57.71 1y4i s TYR 58 Cb -1.14 -1.71 -0.03 0.00 -0.40 0.00 0.00 41.96 38.68 1y4i s TYR 58 CO 0.54 0.57 0.22 -0.08 -1.57 0.00 0.00 175.55 175.22 1y4i s THR 59 N -1.49 0.03 -0.11 -0.71 -1.32 -1.22 -4.90 115.64 105.92 1y4i s THR 59 Ca 0.33 -1.73 0.29 0.00 -1.21 0.00 0.00 61.69 59.37 1y4i s THR 59 Cb -0.13 -2.21 0.30 0.00 -1.51 0.00 0.00 72.50 68.96 1y4i s THR 59 CO 0.26 -0.15 1.86 0.08 -2.21 0.00 0.00 174.62 174.46 1y4i h ARG 60 N 2.58 0.00 0.00 7.08 0.11 -1.95 0.28 114.38 122.48 1y4i h ARG 60 Ca -0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.75 1y4i h ARG 60 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 1y4i h ARG 60 CO 0.50 0.00 -0.34 1.28 0.10 0.00 0.00 179.97 181.50 1y4i n LEU 61 N -2.56 0.36 -2.77 0.08 4.77 -1.26 -4.25 117.00 111.38 1y4i n LEU 61 Ca 0.00 0.18 -0.11 0.00 -0.03 0.00 0.00 56.01 56.05 1y4i n LEU 61 Cb 0.18 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1y4i n LEU 61 CO 0.19 0.07 -0.14 0.61 -1.33 0.00 0.00 177.39 176.79 1y4i n GLY 62 N 1.49 1.93 3.71 -0.72 0.00 0.83 -4.98 105.19 107.43 1y4i n GLY 62 Ca 0.06 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 1y4i n GLY 62 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1y4i n ASN 63 N 0.01 3.16 -0.36 1.61 2.85 -0.31 -3.45 115.26 118.76 1y4i n ASN 63 Ca 0.12 1.16 0.08 0.00 -0.11 0.00 0.00 54.58 55.83 1y4i n ASN 63 Cb 0.79 -1.50 0.25 0.00 1.24 0.00 0.00 39.78 40.56 1y4i n ASN 63 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1y4i h PRO 64 N 3.98 0.95 -0.10 1.20 0.11 -1.91 0.92 132.00 137.14 1y4i h PRO 64 Ca -0.46 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1y4i h PRO 64 Cb 1.26 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1y4i h PRO 64 CO 0.73 0.63 -0.01 1.15 -0.21 0.00 0.00 178.00 180.29 1y4i h THR 65 N 0.98 1.26 -0.31 -1.15 2.02 -1.90 -2.55 112.91 111.26 1y4i h THR 65 Ca 0.50 -0.85 -0.15 0.00 0.77 0.00 0.00 66.41 66.69 1y4i h THR 65 Cb 0.52 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 1y4i h THR 65 CO -0.27 0.24 -0.40 0.74 0.37 0.00 0.00 175.52 176.20 1y4i h THR 66 N -0.11 1.29 -0.64 3.16 2.02 -1.69 -2.60 112.91 114.34 1y4i h THR 66 Ca 0.03 -1.57 0.13 0.00 0.77 0.00 0.00 66.41 65.77 1y4i h THR 66 Cb 0.38 1.48 -0.10 0.00 -1.74 0.00 0.00 68.15 68.16 1y4i h THR 66 CO 0.01 0.51 0.03 -0.78 0.37 0.00 0.00 175.52 175.66 1y4i h ASP 67 N 0.60 -0.23 -0.65 4.18 3.58 0.88 -0.75 116.42 124.04 1y4i h ASP 67 Ca 0.05 0.15 0.05 0.00 0.42 0.00 0.00 57.03 57.71 1y4i h ASP 67 Cb 0.94 0.26 -0.05 0.00 1.72 0.00 0.00 39.33 42.20 1y4i h ASP 67 CO 0.09 -0.10 0.36 0.00 -2.88 0.00 0.00 179.24 176.71 1y4i h ALA 68 N 1.57 0.87 -0.41 -0.78 0.00 -1.07 0.03 119.26 119.48 1y4i h ALA 68 Ca 0.34 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 1y4i h ALA 68 Cb 0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1y4i h ALA 68 CO -0.53 0.05 -0.01 1.25 0.00 0.00 0.00 179.25 180.01 1y4i h LEU 69 N 0.68 0.72 -0.40 0.00 5.85 -1.17 -0.40 115.31 120.58 1y4i h LEU 69 Ca 0.29 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1y4i h LEU 69 Cb 0.16 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1y4i h LEU 69 CO -0.17 0.85 0.21 -0.33 -0.34 0.00 0.00 178.44 178.66 1y4i h GLU 70 N 0.56 0.57 -0.25 1.25 5.08 -0.85 -1.81 114.58 119.13 1y4i h GLU 70 Ca 0.11 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1y4i h GLU 70 Cb 0.49 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1y4i h GLU 70 CO 0.02 0.47 0.08 0.87 -1.00 0.00 0.00 179.01 179.45 1y4i h LYS 71 N 0.52 0.38 -0.43 2.33 1.57 -0.95 -0.81 116.57 119.18 1y4i h LYS 71 Ca 0.14 -0.08 0.09 0.00 -1.87 0.00 0.00 60.65 58.92 1y4i h LYS 71 Cb 0.08 -0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.24 1y4i h LYS 71 CO -0.02 0.46 -0.30 -0.22 -0.57 0.00 0.00 179.45 178.80 1y4i h LYS 72 N 0.23 -0.21 -0.02 3.15 3.64 -0.91 -1.03 116.57 121.43 1y4i h LYS 72 Ca 0.08 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.32 1y4i h LYS 72 Cb 0.24 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1y4i h LYS 72 CO -0.00 -0.14 -0.68 -0.07 -2.27 0.00 0.00 179.45 176.29 1y4i h LEU 73 N -0.21 0.15 -0.30 5.20 -0.00 -1.19 -0.51 115.31 118.45 1y4i h LEU 73 Ca 0.19 -0.09 0.03 0.00 -0.00 0.00 0.00 57.88 58.01 1y4i h LEU 73 Cb 0.52 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 41.11 1y4i h LEU 73 CO -0.55 0.78 0.11 0.00 -0.00 0.00 0.00 178.44 178.78 1y4i h ALA 74 N 1.22 0.34 -0.29 1.53 0.00 -0.84 -0.99 119.26 120.23 1y4i h ALA 74 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1y4i h ALA 74 Cb 1.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1y4i h ALA 74 CO 0.10 -0.29 0.19 0.28 0.00 0.00 0.00 179.25 179.52 1y4i h VAL 75 N 0.24 1.08 -0.42 0.00 2.07 -0.62 0.16 116.25 118.77 1y4i h VAL 75 Ca 0.13 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 1y4i h VAL 75 Cb 0.09 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1y4i h VAL 75 CO -0.13 0.08 -0.05 -0.07 0.02 0.00 0.00 177.57 177.43 1y4i h LEU 76 N 0.38 0.67 -0.36 2.57 3.38 -0.92 -2.06 115.31 118.97 1y4i h LEU 76 Ca 0.11 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1y4i h LEU 76 Cb -0.03 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1y4i h LEU 76 CO -0.02 0.77 -0.14 -0.62 0.09 0.00 0.00 178.44 178.52 1y4i n GLU 77 N -4.21 0.82 -3.76 1.13 -0.58 -0.39 -4.90 120.64 108.75 1y4i n GLU 77 Ca 0.02 -0.36 -0.26 0.00 -0.42 0.00 0.00 57.16 56.13 1y4i n GLU 77 Cb 0.31 -1.49 0.04 0.00 -0.57 0.00 0.00 31.44 29.73 1y4i n GLU 77 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1y4i n ARG 78 N -0.77 -6.07 -3.54 3.49 3.00 -0.31 -4.53 116.66 107.93 1y4i n ARG 78 Ca 0.14 0.68 -0.21 0.00 -0.01 0.00 0.00 57.85 58.45 1y4i n ARG 78 Cb 0.30 -5.55 -0.02 0.00 0.00 0.00 0.00 32.46 27.19 1y4i n ARG 78 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1y4i s GLY 79 N -3.61 2.13 0.10 -0.13 0.00 0.42 -4.87 107.32 101.36 1y4i s GLY 79 Ca 0.46 -1.83 -0.13 0.00 0.00 0.00 0.00 44.72 43.22 1y4i s GLY 79 CO 0.80 -1.71 1.27 0.83 0.00 0.00 0.00 173.10 174.29 1y4i h GLU 80 N 0.94 0.77 -3.30 2.90 5.08 -1.75 -3.39 114.58 115.83 1y4i h GLU 80 Ca -0.40 -0.68 -0.09 0.00 -1.00 0.00 0.00 59.36 57.18 1y4i h GLU 80 Cb 1.27 0.16 -0.17 0.00 0.50 0.00 0.00 28.75 30.51 1y4i h GLU 80 CO 0.56 1.28 -0.25 0.00 -1.00 0.00 0.00 179.01 179.60 1y4i s ALA 81 N -3.62 -0.68 0.25 3.43 0.00 -0.67 -4.83 121.76 115.63 1y4i s ALA 81 Ca -0.10 0.01 0.09 0.00 0.00 0.00 0.00 51.96 51.96 1y4i s ALA 81 Cb 0.08 0.32 -0.05 0.00 0.00 0.00 0.00 23.12 23.47 1y4i s ALA 81 CO 0.91 -0.41 -0.14 0.20 0.00 0.00 0.00 175.76 176.32 1y4i s GLY 82 N -2.05 1.66 -0.16 0.00 0.00 -1.24 -2.04 107.32 103.49 1y4i s GLY 82 Ca -0.05 -1.79 -0.05 0.00 0.00 0.00 0.00 44.72 42.83 1y4i s GLY 82 CO -0.03 -1.84 0.31 -2.27 0.00 0.00 0.00 173.10 169.27 1y4i s LEU 83 N -3.41 -0.41 0.44 0.66 2.96 0.58 -4.81 118.68 114.70 1y4i s LEU 83 Ca 0.26 0.61 -0.09 0.00 -0.22 0.00 0.00 54.13 54.69 1y4i s LEU 83 Cb -0.01 0.88 -0.06 0.00 0.50 0.00 0.00 46.19 47.51 1y4i s LEU 83 CO 0.10 -0.25 0.79 0.00 -1.32 0.00 0.00 176.35 175.68 1y4i s ALA 84 N 2.47 3.34 0.24 5.97 0.00 -1.26 -0.15 121.76 132.38 1y4i s ALA 84 Ca 0.02 -0.27 -0.09 0.00 0.00 0.00 0.00 51.96 51.63 1y4i s ALA 84 Cb -0.13 -2.70 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 1y4i s ALA 84 CO -0.11 -0.13 0.38 0.95 0.00 0.00 0.00 175.76 176.85 1y4i s THR 85 N -2.51 0.00 0.25 0.00 -4.23 -0.11 -4.18 115.64 104.86 1y4i s THR 85 Ca 0.51 -1.59 0.34 0.00 -1.18 0.00 0.00 61.69 59.76 1y4i s THR 85 Cb -0.10 -2.33 0.38 0.00 1.34 0.00 0.00 72.50 71.78 1y4i s THR 85 CO 0.36 0.00 2.06 0.00 -0.54 0.00 0.00 174.62 176.50 1y4i h ALA 86 N 2.34 1.04 -2.37 3.99 0.00 -0.43 -1.54 119.26 122.29 1y4i h ALA 86 Ca -0.29 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.70 1y4i h ALA 86 Cb 1.25 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 1y4i h ALA 86 CO 0.41 0.05 0.46 -1.54 0.00 0.00 0.00 179.25 178.63 1y4i s SER 87 N -5.69 -0.34 0.27 0.00 1.04 -1.26 -3.71 113.70 104.01 1y4i s SER 87 Ca -0.01 -0.10 -0.02 0.00 0.48 0.00 0.00 55.95 56.30 1y4i s SER 87 Cb 0.10 0.43 0.37 0.00 0.10 0.00 0.00 66.02 67.03 1y4i s SER 87 CO 0.53 -0.73 1.83 1.23 0.98 0.00 0.00 173.24 177.09 1y4i h GLY 88 N 2.00 0.97 0.98 7.32 0.00 -1.70 -1.70 103.07 110.94 1y4i h GLY 88 Ca -0.24 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.56 1y4i h GLY 88 CO 0.30 0.50 0.24 -2.22 0.00 0.00 0.00 176.54 175.37 1y4i h ILE 89 N 0.88 1.13 -0.27 2.60 1.08 -1.91 -2.47 117.51 118.56 1y4i h ILE 89 Ca 0.20 -0.31 -0.02 0.00 -0.39 0.00 0.00 64.86 64.34 1y4i h ILE 89 Cb 0.24 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 34.58 1y4i h ILE 89 CO -0.01 0.13 0.08 -1.28 -0.69 0.00 0.00 178.15 176.38 1y4i h SER 90 N 0.54 0.34 -0.82 1.72 0.87 -1.83 0.55 113.55 114.92 1y4i h SER 90 Ca 0.15 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1y4i h SER 90 Cb 0.00 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 1y4i h SER 90 CO -0.03 0.35 0.54 0.00 -0.53 0.00 0.00 176.83 177.16 1y4i h ALA 91 N 1.71 1.05 -0.04 6.23 0.00 -0.97 -0.02 119.26 127.22 1y4i h ALA 91 Ca 0.09 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1y4i h ALA 91 Cb 0.13 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.61 1y4i h ALA 91 CO -0.01 0.43 -0.36 0.82 0.00 0.00 0.00 179.25 180.13 1y4i h ILE 92 N 1.09 1.46 -0.01 0.00 2.04 -0.89 -2.73 117.51 118.48 1y4i h ILE 92 Ca 0.31 -1.86 -0.21 0.00 1.00 0.00 0.00 64.86 64.10 1y4i h ILE 92 Cb -0.10 2.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 1y4i h ILE 92 CO -0.08 0.53 -0.88 0.71 0.00 0.00 0.00 178.15 178.43 1y4i h THR 93 N -0.23 1.44 -0.24 -0.27 1.35 -0.94 -1.76 112.91 112.27 1y4i h THR 93 Ca -0.03 -2.49 -0.01 0.00 -0.55 0.00 0.00 66.41 63.33 1y4i h THR 93 Cb 1.05 2.40 -0.01 0.00 -1.73 0.00 0.00 68.15 69.86 1y4i h THR 93 CO 0.07 0.73 0.11 0.74 -0.25 0.00 0.00 175.52 176.93 1y4i h THR 94 N 0.17 1.14 0.24 6.82 2.02 -1.08 0.44 112.91 122.66 1y4i h THR 94 Ca -0.06 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1y4i h THR 94 Cb 1.51 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.86 1y4i h THR 94 CO 0.14 0.14 -0.46 0.74 0.37 0.00 0.00 175.52 176.46 1y4i h THR 95 N 0.25 0.00 -0.33 3.16 2.02 -1.44 -0.84 112.91 115.73 1y4i h THR 95 Ca 0.08 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.18 1y4i h THR 95 Cb 0.12 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 1y4i h THR 95 CO -0.01 0.00 -0.13 -0.07 0.37 0.00 0.00 175.52 175.68 1y4i h LEU 96 N -0.75 0.56 0.00 2.58 3.38 -1.27 -2.32 115.31 117.49 1y4i h LEU 96 Ca -0.03 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1y4i h LEU 96 Cb 0.71 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1y4i h LEU 96 CO -0.17 0.72 -0.21 -0.07 0.09 0.00 0.00 178.44 178.80 1y4i h LEU 97 N 0.53 0.00 -0.52 1.67 3.38 -0.92 -0.28 115.31 119.17 1y4i h LEU 97 Ca 0.09 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 1y4i h LEU 97 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1y4i h LEU 97 CO 0.03 0.21 -0.50 0.74 0.09 0.00 0.00 178.44 179.02 1y4i h THR 98 N 0.00 1.31 0.05 0.22 2.02 -0.78 -3.35 112.91 112.37 1y4i h THR 98 Ca -0.00 -1.71 -0.28 0.00 0.77 0.00 0.00 66.41 65.19 1y4i h THR 98 Cb 1.16 1.66 -0.03 0.00 -1.74 0.00 0.00 68.15 69.20 1y4i h THR 98 CO 0.03 0.54 -1.51 -0.07 0.37 0.00 0.00 175.52 174.88 1y4i h LEU 99 N 0.50 0.16 -9.04 2.58 3.38 -1.23 -3.48 115.31 108.18 1y4i h LEU 99 Ca 0.02 -0.25 -0.68 0.00 0.09 0.00 0.00 57.88 57.05 1y4i h LEU 99 Cb 1.04 -0.05 -0.20 0.00 0.09 0.00 0.00 40.66 41.53 1y4i h LEU 99 CO 0.10 1.22 -0.74 0.00 0.09 0.00 0.00 178.44 179.11 1y4i s GLN 101 N -1.01 1.51 -0.22 0.00 -2.07 -1.26 -4.74 119.66 111.86 1y4i s GLN 101 Ca 0.14 -1.79 -0.42 0.00 -1.82 0.00 0.00 55.36 51.46 1y4i s GLN 101 Cb -0.11 -0.81 -0.19 0.00 -1.09 0.00 0.00 33.01 30.81 1y4i s GLN 101 CO 0.03 -0.11 1.44 0.94 -1.32 0.00 0.00 175.29 176.27 1y4i n GLN 102 N -0.56 0.42 0.00 9.60 7.27 -1.25 -0.89 117.38 131.97 1y4i n GLN 102 Ca -0.04 0.15 0.00 0.00 0.07 0.00 0.00 57.00 57.18 1y4i n GLN 102 Cb 0.65 -1.71 0.00 0.00 2.41 0.00 0.00 30.24 31.59 1y4i n GLN 102 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1y4i n GLY 103 N 3.11 0.25 3.87 1.69 0.00 0.25 -4.95 105.19 109.40 1y4i n GLY 103 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 1y4i n GLY 103 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1y4i s ASP 104 N -1.95 5.16 0.06 1.61 1.01 -0.07 -4.87 116.67 117.62 1y4i s ASP 104 Ca 0.00 1.12 0.04 0.00 0.71 0.00 0.00 52.55 54.41 1y4i s ASP 104 Cb 0.00 -1.86 -0.03 0.00 1.01 0.00 0.00 42.92 42.04 1y4i s ASP 104 CO 0.00 -1.53 -0.11 -2.28 0.21 0.00 0.00 175.17 171.47 1y4i s HIS 105 N -3.35 0.95 -0.02 4.23 5.65 -0.79 -1.74 115.29 120.22 1y4i s HIS 105 Ca 0.59 -0.52 0.03 0.00 0.25 0.00 0.00 55.06 55.40 1y4i s HIS 105 Cb -0.12 -0.54 0.00 0.00 -1.18 0.00 0.00 32.58 30.74 1y4i s HIS 105 CO 0.52 -0.02 -0.10 0.42 -0.65 0.00 0.00 174.74 174.91 1y4i s ILE 106 N -1.59 0.82 -0.24 0.89 1.01 -0.42 -1.15 121.20 120.52 1y4i s ILE 106 Ca -0.04 -0.40 -0.10 0.00 0.00 0.00 0.00 60.65 60.11 1y4i s ILE 106 Cb -0.08 -0.72 -0.05 0.00 0.01 0.00 0.00 42.46 41.62 1y4i s ILE 106 CO 0.01 0.25 0.16 -0.69 0.00 0.00 0.00 174.94 174.66 1y4i s VAL 107 N 0.07 5.36 -0.02 2.92 1.01 -0.75 -0.35 120.40 128.64 1y4i s VAL 107 Ca -0.01 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.19 1y4i s VAL 107 Cb -0.07 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 1y4i s VAL 107 CO 0.00 0.35 -0.15 -0.55 0.00 0.00 0.00 175.10 174.76 1y4i s SER 108 N 1.00 1.80 0.41 3.32 0.15 0.06 0.01 113.70 120.45 1y4i s SER 108 Ca 0.08 -0.28 -0.22 0.00 0.70 0.00 0.00 55.95 56.23 1y4i s SER 108 Cb -0.13 -0.32 -0.14 0.00 -1.71 0.00 0.00 66.02 63.71 1y4i s SER 108 CO 0.04 0.16 0.27 0.00 1.20 0.00 0.00 173.24 174.91 1y4i n ALA 109 N 2.90 -2.43 0.06 5.45 0.00 0.31 -1.12 120.51 125.69 1y4i n ALA 109 Ca -0.16 0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.20 1y4i n ALA 109 Cb 0.54 -1.59 -0.15 0.00 0.00 0.00 0.00 19.45 18.25 1y4i n ALA 109 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1y4i h SER 110 N 0.49 0.54 -1.05 0.00 0.02 -0.69 -3.42 113.55 109.45 1y4i h SER 110 Ca -0.38 -0.84 -0.74 0.00 -0.84 0.00 0.00 61.79 58.99 1y4i h SER 110 Cb 1.43 -0.18 -0.12 0.00 0.14 0.00 0.00 62.40 63.67 1y4i h SER 110 CO 0.49 1.71 2.29 0.00 -1.14 0.00 0.00 176.83 180.18 1y4i n ALA 111 N -2.83 5.32 -2.31 3.77 0.00 -1.26 -4.92 120.51 118.28 1y4i n ALA 111 Ca -0.24 -4.19 -0.17 0.00 0.00 0.00 0.00 53.44 48.84 1y4i n ALA 111 Cb 1.07 -3.14 -0.10 0.00 0.00 0.00 0.00 19.45 17.28 1y4i n ALA 111 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1y4i s ILE 112 N 1.22 1.34 -0.10 0.00 -4.36 -1.26 -2.58 121.20 115.47 1y4i s ILE 112 Ca 0.42 -2.10 -0.39 0.00 -0.26 0.00 0.00 60.65 58.32 1y4i s ILE 112 Cb 0.10 -2.07 -0.19 0.00 1.25 0.00 0.00 42.46 41.55 1y4i s ILE 112 CO -0.02 -0.57 1.10 0.00 0.24 0.00 0.00 174.94 175.70 1y4i n TYR 113 N -0.34 0.81 -0.31 1.37 9.36 -1.26 -4.71 117.16 122.09 1y4i n TYR 113 Ca -0.08 1.01 0.05 0.00 3.32 0.00 0.00 57.90 62.20 1y4i n TYR 113 Cb 0.62 -1.98 0.20 0.00 -0.63 0.00 0.00 39.34 37.54 1y4i n TYR 113 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1y4i h GLY 114 N 3.19 1.37 1.66 2.98 0.00 -1.98 -0.46 103.07 109.83 1y4i h GLY 114 Ca -0.46 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 46.43 1y4i h GLY 114 CO 0.67 0.09 -0.44 0.00 0.00 0.00 0.00 176.54 176.87 1y4i h THR 116 N 0.31 0.99 -0.93 0.00 2.02 -1.72 -0.89 112.91 112.69 1y4i h THR 116 Ca 0.02 -0.08 0.10 0.00 0.77 0.00 0.00 66.41 67.23 1y4i h THR 116 Cb 0.89 0.75 -0.07 0.00 -1.74 0.00 0.00 68.15 67.98 1y4i h THR 116 CO 0.07 0.04 0.60 -0.74 0.37 0.00 0.00 175.52 175.86 1y4i h HIS 117 N 0.22 1.02 -0.22 3.16 6.17 -0.44 -0.05 115.15 125.02 1y4i h HIS 117 Ca 0.09 0.03 -0.20 0.00 0.71 0.00 0.00 60.37 60.99 1y4i h HIS 117 Cb 0.03 -0.33 0.01 0.00 2.52 0.00 0.00 27.41 29.63 1y4i h HIS 117 CO -0.10 0.46 -0.67 0.00 0.71 0.00 0.00 177.93 178.34 1y4i h ALA 118 N 1.54 0.40 -0.10 5.26 0.00 -0.75 0.13 119.26 125.74 1y4i h ALA 118 Ca 0.44 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1y4i h ALA 118 Cb 0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1y4i h ALA 118 CO -0.20 0.68 0.07 0.35 0.00 0.00 0.00 179.25 180.15 1y4i h PHE 119 N 0.60 0.13 -0.57 0.00 3.57 -0.61 -1.32 116.94 118.75 1y4i h PHE 119 Ca -0.02 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 1y4i h PHE 119 Cb 1.28 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 1y4i h PHE 119 CO 0.08 0.11 0.00 -0.07 -2.23 0.00 0.00 178.31 176.20 1y4i h LEU 120 N 0.12 0.95 0.04 0.59 3.38 -0.91 -0.19 115.31 119.29 1y4i h LEU 120 Ca 0.04 -0.26 -0.26 0.00 0.09 0.00 0.00 57.88 57.49 1y4i h LEU 120 Cb 0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1y4i h LEU 120 CO -0.01 1.00 -1.31 0.77 0.09 0.00 0.00 178.44 178.98 1y4i h SER 121 N 0.90 0.13 0.00 -0.43 4.64 -0.68 -3.38 113.55 114.73 1y4i h SER 121 Ca 0.17 -0.17 -0.17 0.00 -0.47 0.00 0.00 61.79 61.14 1y4i h SER 121 Cb 0.52 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 1y4i h SER 121 CO 0.03 1.14 -1.57 1.41 -0.87 0.00 0.00 176.83 176.97 1y4i n HIS 122 N -3.32 0.00 0.04 4.77 8.25 -0.50 -4.65 115.22 119.81 1y4i n HIS 122 Ca -0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.25 1y4i n HIS 122 Cb 1.00 -0.37 -0.09 0.00 1.12 0.00 0.00 29.99 31.65 1y4i n HIS 122 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1y4i h SER 123 N -0.36 -0.13 -0.33 0.41 0.02 -1.29 -3.26 113.55 108.61 1y4i h SER 123 Ca -0.26 -0.38 0.06 0.00 -0.84 0.00 0.00 61.79 60.37 1y4i h SER 123 Cb 1.23 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.75 1y4i h SER 123 CO -0.16 0.35 -0.01 0.24 -1.14 0.00 0.00 176.83 176.11 1y4i h MET 124 N -0.64 0.08 0.00 3.45 2.07 -1.24 -2.08 114.93 116.58 1y4i h MET 124 Ca -0.02 -0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.60 1y4i h MET 124 Cb 0.50 -0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 30.21 1y4i h MET 124 CO 0.03 0.05 -0.05 -1.35 1.07 0.00 0.00 176.91 176.66 1y4i h PRO 125 N 0.08 0.00 0.00 -0.22 0.11 -1.49 -0.94 132.00 129.55 1y4i h PRO 125 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1y4i h PRO 125 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1y4i h PRO 125 CO -0.27 0.05 0.00 1.63 -0.21 0.00 0.00 178.00 179.20 1y4i n LYS 126 N -3.48 0.05 -0.46 1.05 5.02 -0.79 -1.97 118.16 117.57 1y4i n LYS 126 Ca -0.02 0.11 0.08 0.00 -2.02 0.00 0.00 58.31 56.46 1y4i n LYS 126 Cb 0.16 -1.56 0.28 0.00 -0.02 0.00 0.00 35.03 33.89 1y4i n LYS 126 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1y4i n PHE 127 N -1.65 1.08 -0.89 2.13 3.72 -0.45 -4.95 117.46 116.45 1y4i n PHE 127 Ca 0.06 -0.67 0.00 0.00 -0.05 0.00 0.00 57.45 56.79 1y4i n PHE 127 Cb 0.31 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 1y4i n PHE 127 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1y4i n GLY 128 N 0.46 0.56 3.28 1.37 0.00 -0.83 -3.89 105.19 106.13 1y4i n GLY 128 Ca 0.21 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1y4i n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y4i s ILE 129 N -2.00 3.83 0.27 -0.61 1.01 -0.66 0.86 121.20 123.90 1y4i s ILE 129 Ca 0.00 -1.09 -0.02 0.00 0.00 0.00 0.00 60.65 59.54 1y4i s ILE 129 Cb 0.00 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 1y4i s ILE 129 CO 0.00 -0.16 0.50 0.20 0.00 0.00 0.00 174.94 175.47 1y4i s ASN 130 N 1.42 6.39 -0.03 3.58 0.01 -0.71 -1.79 114.94 123.81 1y4i s ASN 130 Ca -0.01 0.54 0.02 0.00 -0.71 0.00 0.00 52.86 52.70 1y4i s ASN 130 Cb -0.19 -2.07 0.01 0.00 0.41 0.00 0.00 41.25 39.40 1y4i s ASN 130 CO 0.03 -0.17 -0.06 -0.69 -1.51 0.00 0.00 177.10 174.70 1y4i s VAL 131 N -2.06 0.60 -0.17 1.60 1.01 -1.26 -1.30 120.40 118.82 1y4i s VAL 131 Ca 0.41 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 1y4i s VAL 131 Cb -0.11 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 1y4i s VAL 131 CO 0.31 0.21 -0.01 -0.13 0.00 0.00 0.00 175.10 175.48 1y4i s ARG 132 N 0.37 3.75 -0.11 2.72 0.52 0.52 -4.96 118.95 121.76 1y4i s ARG 132 Ca -0.05 -0.47 -0.11 0.00 -0.52 0.00 0.00 55.73 54.57 1y4i s ARG 132 Cb -0.09 -3.01 -0.05 0.00 0.52 0.00 0.00 34.95 32.32 1y4i s ARG 132 CO 0.00 0.23 0.25 -0.06 0.02 0.00 0.00 175.30 175.74 1y4i s PHE 133 N 0.43 3.56 0.11 -0.53 0.08 -1.26 -0.76 117.98 119.61 1y4i s PHE 133 Ca -0.02 0.63 0.00 0.00 0.12 0.00 0.00 56.93 57.67 1y4i s PHE 133 Cb -0.14 -2.18 -0.04 0.00 -0.57 0.00 0.00 43.02 40.09 1y4i s PHE 133 CO 0.02 0.50 -0.01 0.14 -0.10 0.00 0.00 175.22 175.77 1y4i s VAL 134 N -0.39 0.43 -0.72 -0.44 -7.23 -0.28 -4.87 120.40 106.90 1y4i s VAL 134 Ca 0.17 -1.91 -0.26 0.00 -1.81 0.00 0.00 61.98 58.17 1y4i s VAL 134 Cb -0.13 -1.83 0.04 0.00 0.56 0.00 0.00 36.38 35.02 1y4i s VAL 134 CO 0.05 -0.72 1.23 -0.62 -0.31 0.00 0.00 175.10 174.73 1y4i s ASP 135 N -3.04 6.17 0.00 4.85 2.15 -1.26 0.09 116.67 125.63 1y4i s ASP 135 Ca 0.16 -0.51 0.18 0.00 0.43 0.00 0.00 52.55 52.81 1y4i s ASP 135 Cb 0.07 -2.54 0.87 0.00 -0.30 0.00 0.00 42.92 41.01 1y4i s ASP 135 CO -0.03 -1.77 1.56 0.00 -0.17 0.00 0.00 175.17 174.77 1y4i n ALA 136 N 9.10 1.92 0.39 3.66 0.00 -1.26 -1.01 120.51 133.31 1y4i n ALA 136 Ca 0.02 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1y4i n ALA 136 Cb 0.48 -1.29 0.49 0.00 0.00 0.00 0.00 19.45 19.13 1y4i n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y4i n GLY 137 N 0.29 -1.27 3.02 0.00 0.00 -1.26 -4.09 105.19 101.88 1y4i n GLY 137 Ca 0.07 0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1y4i n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y4i s LYS 138 N -3.32 2.30 0.61 1.61 1.02 -0.18 -4.93 119.74 116.84 1y4i s LYS 138 Ca 0.04 -2.63 0.30 0.00 0.02 0.00 0.00 55.97 53.70 1y4i s LYS 138 Cb 0.09 -3.53 1.64 0.00 -0.52 0.00 0.00 37.83 35.51 1y4i s LYS 138 CO 0.39 -1.15 2.01 -1.35 -0.92 0.00 0.00 175.35 174.33 1y4i h PRO 139 N 6.68 0.00 -0.20 -1.68 0.11 -1.80 0.15 132.00 135.27 1y4i h PRO 139 Ca -0.04 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 1y4i h PRO 139 Cb 0.91 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1y4i h PRO 139 CO 0.70 0.00 -0.06 1.05 -0.21 0.00 0.00 178.00 179.48 1y4i h GLU 140 N 0.00 0.30 -0.17 1.05 9.09 -1.93 -1.99 114.58 120.94 1y4i h GLU 140 Ca 0.10 -0.06 -0.11 0.00 0.05 0.00 0.00 59.36 59.35 1y4i h GLU 140 Cb 0.72 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.76 1y4i h GLU 140 CO -0.00 0.38 -0.36 0.93 0.05 0.00 0.00 179.01 180.01 1y4i h GLU 141 N 0.29 0.36 -0.24 1.06 5.08 -0.97 -1.20 114.58 118.96 1y4i h GLU 141 Ca 0.06 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1y4i h GLU 141 Cb 0.30 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1y4i h GLU 141 CO 0.01 0.68 0.05 0.82 -1.00 0.00 0.00 179.01 179.57 1y4i h ILE 142 N 0.30 1.22 -0.63 3.13 2.04 -1.43 -2.79 117.51 119.34 1y4i h ILE 142 Ca 0.03 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 1y4i h ILE 142 Cb 0.79 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1y4i h ILE 142 CO 0.06 0.23 0.32 -0.09 0.00 0.00 0.00 178.15 178.67 1y4i h ARG 143 N 0.21 0.89 0.00 2.37 9.65 -1.20 -2.66 114.38 123.64 1y4i h ARG 143 Ca 0.08 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1y4i h ARG 143 Cb 0.29 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 1y4i h ARG 143 CO 0.00 0.70 0.00 0.00 2.80 0.00 0.00 179.97 183.47 1y4i h ALA 144 N 1.15 1.00 0.00 2.80 0.00 -1.12 -2.35 119.26 120.73 1y4i h ALA 144 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1y4i h ALA 144 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1y4i h ALA 144 CO -0.03 0.00 -0.89 0.00 0.00 0.00 0.00 179.25 178.33 1y4i n ALA 145 N -2.00 3.29 -1.75 0.00 0.00 -1.01 -4.95 120.51 114.09 1y4i n ALA 145 Ca 0.00 -0.36 -0.38 0.00 0.00 0.00 0.00 53.44 52.70 1y4i n ALA 145 Cb 0.22 -1.03 0.04 0.00 0.00 0.00 0.00 19.45 18.68 1y4i n ALA 145 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1y4i s MET 146 N -3.18 3.04 0.21 0.00 1.00 -0.89 -4.92 119.30 114.56 1y4i s MET 146 Ca 0.05 2.11 0.00 0.00 0.00 0.00 0.00 55.69 57.85 1y4i s MET 146 Cb 0.14 -2.14 -0.05 0.00 0.00 0.00 0.00 34.83 32.79 1y4i s MET 146 CO 0.77 -1.23 0.08 1.03 0.00 0.00 0.00 175.02 175.67 1y4i s ARG 147 N -3.04 1.22 0.57 2.03 0.52 -1.26 -5.00 118.95 113.99 1y4i s ARG 147 Ca 0.74 -1.63 0.27 0.00 -0.52 0.00 0.00 55.73 54.59 1y4i s ARG 147 Cb -0.38 -0.06 1.69 0.00 0.52 0.00 0.00 34.95 36.73 1y4i s ARG 147 CO 0.43 -0.28 2.22 -1.35 0.02 0.00 0.00 175.30 176.35 1y4i h PRO 148 N 2.58 0.00 -0.00 3.54 0.11 -1.97 -0.74 132.00 135.52 1y4i h PRO 148 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1y4i h PRO 148 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1y4i h PRO 148 CO 0.59 0.01 -0.15 0.39 -0.21 0.00 0.00 178.00 178.63 1y4i n GLU 149 N -3.96 0.09 -1.99 1.05 4.71 -1.26 -4.90 120.64 114.38 1y4i n GLU 149 Ca -0.03 -0.02 -0.43 0.00 -0.01 0.00 0.00 57.16 56.67 1y4i n GLU 149 Cb 0.10 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.00 1y4i n GLU 149 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1y4i s THR 150 N -2.93 3.53 -0.17 2.62 2.01 -0.29 -1.88 115.64 118.53 1y4i s THR 150 Ca 0.15 0.60 0.08 0.00 0.31 0.00 0.00 61.69 62.84 1y4i s THR 150 Cb 0.19 -3.51 -0.23 0.00 0.01 0.00 0.00 72.50 68.96 1y4i s THR 150 CO 0.57 -0.19 0.16 0.29 -0.69 0.00 0.00 174.62 174.76 1y4i n LYS 151 N 7.67 0.68 -3.72 4.92 4.76 -0.30 -4.51 118.16 127.66 1y4i n LYS 151 Ca 0.20 0.14 -0.13 0.00 -2.87 0.00 0.00 58.31 55.65 1y4i n LYS 151 Cb 0.44 -1.61 -0.09 0.00 -1.84 0.00 0.00 35.03 31.93 1y4i n LYS 151 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1y4i s VAL 152 N -2.53 0.01 -0.17 -0.18 0.11 -1.24 -1.30 120.40 115.10 1y4i s VAL 152 Ca -0.18 -0.06 -0.10 0.00 -2.93 0.00 0.00 61.98 58.70 1y4i s VAL 152 Cb 0.07 -0.64 -0.05 0.00 -1.53 0.00 0.00 36.38 34.23 1y4i s VAL 152 CO 0.75 -0.04 0.17 -0.69 -3.33 0.00 0.00 175.10 171.97 1y4i s VAL 153 N -0.05 5.40 -0.11 2.04 1.01 0.16 -1.80 120.40 127.04 1y4i s VAL 153 Ca -0.02 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.25 1y4i s VAL 153 Cb -0.03 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.88 1y4i s VAL 153 CO 0.02 0.48 -0.13 -0.47 0.00 0.00 0.00 175.10 175.00 1y4i s TYR 154 N -0.03 1.88 0.08 5.22 6.14 0.10 -0.60 117.35 130.14 1y4i s TYR 154 Ca 0.12 -0.93 0.03 0.00 0.64 0.00 0.00 57.07 56.94 1y4i s TYR 154 Cb -0.12 -1.40 -0.03 0.00 0.42 0.00 0.00 41.96 40.83 1y4i s TYR 154 CO 0.01 -0.51 -0.10 0.96 0.64 0.00 0.00 175.55 176.55 1y4i s ILE 155 N 1.21 0.84 -0.06 3.14 -4.36 -0.47 -0.53 121.20 120.97 1y4i s ILE 155 Ca -0.02 -1.48 0.03 0.00 -0.26 0.00 0.00 60.65 58.92 1y4i s ILE 155 Cb -0.14 -1.16 -0.02 0.00 1.25 0.00 0.00 42.46 42.39 1y4i s ILE 155 CO -0.04 -0.49 -0.15 -1.61 0.24 0.00 0.00 174.94 172.88 1y4i s GLU 156 N -2.43 2.61 -0.17 0.37 2.02 -1.26 -0.75 118.70 119.09 1y4i s GLU 156 Ca 0.01 -0.71 -0.16 0.00 0.02 0.00 0.00 54.97 54.13 1y4i s GLU 156 Cb -0.05 -2.39 0.05 0.00 0.10 0.00 0.00 34.13 31.84 1y4i s GLU 156 CO -0.00 0.55 0.46 -0.08 0.02 0.00 0.00 175.26 176.21 1y4i s THR 157 N -0.55 -0.00 0.77 3.63 -1.32 -1.23 -3.78 115.64 113.16 1y4i s THR 157 Ca 0.08 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.41 1y4i s THR 157 Cb -0.11 -0.64 0.05 0.00 -1.51 0.00 0.00 72.50 70.28 1y4i s THR 157 CO 0.01 0.00 1.11 -0.81 -2.21 0.00 0.00 174.62 172.73 1y4i n PRO 158 N 2.90 0.38 -2.51 7.08 -0.04 -1.26 -4.59 135.00 136.96 1y4i n PRO 158 Ca -0.14 0.20 -0.34 0.00 -0.04 0.00 0.00 63.50 63.18 1y4i n PRO 158 Cb 0.57 -2.36 -0.03 0.00 -0.04 0.00 0.00 33.50 31.63 1y4i n PRO 158 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y4i s ALA 159 N -1.94 2.87 0.07 0.55 0.00 0.25 -4.89 121.76 118.66 1y4i s ALA 159 Ca 0.74 0.59 -0.32 0.00 0.00 0.00 0.00 51.96 52.98 1y4i s ALA 159 Cb -0.32 -3.25 -0.18 0.00 0.00 0.00 0.00 23.12 19.37 1y4i s ALA 159 CO 0.50 -0.34 1.60 -0.97 0.00 0.00 0.00 175.76 176.55 1y4i h ASN 160 N 1.49 -0.69 0.13 0.00 -0.73 -1.81 -0.12 115.58 113.85 1y4i h ASN 160 Ca -0.49 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 57.68 1y4i h ASN 160 Cb 1.22 0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.99 1y4i h ASN 160 CO 0.59 -0.47 -0.06 -0.65 -0.37 0.00 0.00 177.43 176.47 1y4i h PRO 161 N -0.84 -0.17 -0.64 6.67 0.11 -1.92 -3.40 132.00 131.82 1y4i h PRO 161 Ca -0.08 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1y4i h PRO 161 Cb 0.63 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1y4i h PRO 161 CO 0.14 -0.11 0.00 0.25 -0.21 0.00 0.00 178.00 178.06 1y4i n THR 162 N -3.06 1.17 -2.97 -1.15 -2.24 -1.24 -4.70 114.28 100.09 1y4i n THR 162 Ca -0.02 -1.05 -0.22 0.00 -2.27 0.00 0.00 64.05 60.49 1y4i n THR 162 Cb 0.07 0.42 0.02 0.00 -2.10 0.00 0.00 70.33 68.74 1y4i n THR 162 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1y4i n LEU 163 N 1.30 -2.32 -4.76 3.22 4.77 -0.06 -4.77 117.00 114.38 1y4i n LEU 163 Ca 0.22 -0.24 -0.33 0.00 -0.03 0.00 0.00 56.01 55.63 1y4i n LEU 163 Cb 0.64 -2.79 0.05 0.00 -2.33 0.00 0.00 43.42 38.99 1y4i n LEU 163 CO 0.16 0.14 0.75 -0.94 -1.33 0.00 0.00 177.39 176.17 1y4i s SER 164 N -2.59 4.97 0.26 -1.43 1.04 -1.26 -4.62 113.70 110.07 1y4i s SER 164 Ca 0.27 2.05 0.08 0.00 0.48 0.00 0.00 55.95 58.82 1y4i s SER 164 Cb -0.12 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.40 1y4i s SER 164 CO 0.33 -1.73 0.17 -0.76 0.98 0.00 0.00 173.24 172.23 1y4i s LEU 165 N -4.91 3.68 -0.07 2.42 1.43 -1.26 0.85 118.68 120.82 1y4i s LEU 165 Ca 0.68 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 53.47 1y4i s LEU 165 Cb -0.22 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.79 1y4i s LEU 165 CO 0.42 -0.06 -0.19 -0.69 0.23 0.00 0.00 176.35 176.06 1y4i s VAL 166 N -2.19 1.62 -0.91 -1.59 1.01 -1.26 -4.40 120.40 112.69 1y4i s VAL 166 Ca 0.33 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 61.28 1y4i s VAL 166 Cb -0.07 -1.41 0.04 0.00 0.00 0.00 0.00 36.38 34.93 1y4i s VAL 166 CO 0.24 0.46 1.42 -0.62 0.00 0.00 0.00 175.10 176.60 1y4i s ASP 167 N 0.28 6.29 0.17 3.32 -1.08 -1.26 -4.86 116.67 119.53 1y4i s ASP 167 Ca -0.11 -1.02 -0.14 0.00 -0.52 0.00 0.00 52.55 50.76 1y4i s ASP 167 Cb -0.15 -2.57 0.07 0.00 -1.46 0.00 0.00 42.92 38.82 1y4i s ASP 167 CO 0.05 -1.70 1.82 0.40 0.52 0.00 0.00 175.17 176.26 1y4i h ILE 168 N 6.55 1.15 -0.73 4.11 2.04 -1.97 -1.83 117.51 126.83 1y4i h ILE 168 Ca 0.01 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1y4i h ILE 168 Cb 1.03 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1y4i h ILE 168 CO 1.36 0.15 0.36 -0.08 0.00 0.00 0.00 178.15 179.95 1y4i h GLU 169 N 0.74 1.05 -0.24 2.37 4.81 -1.90 0.20 114.58 121.62 1y4i h GLU 169 Ca 0.20 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 1y4i h GLU 169 Cb -0.05 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 1y4i h GLU 169 CO -0.04 0.82 -0.23 1.15 -0.73 0.00 0.00 179.01 179.97 1y4i h THR 170 N 1.03 1.32 -0.52 0.32 2.02 -1.82 -2.46 112.91 112.79 1y4i h THR 170 Ca 0.25 -1.40 -0.10 0.00 0.77 0.00 0.00 66.41 65.94 1y4i h THR 170 Cb 0.10 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1y4i h THR 170 CO -0.03 0.44 -0.07 0.58 0.37 0.00 0.00 175.52 176.80 1y4i h VAL 171 N 0.29 1.26 -0.70 3.16 2.07 -1.05 -1.82 116.25 119.47 1y4i h VAL 171 Ca 0.04 -1.19 0.05 0.00 0.82 0.00 0.00 66.70 66.42 1y4i h VAL 171 Cb 0.79 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 1y4i h VAL 171 CO 0.06 0.42 0.41 0.00 0.02 0.00 0.00 177.57 178.48 1y4i h ALA 172 N 1.06 0.93 -0.28 1.67 0.00 -0.51 -0.23 119.26 121.90 1y4i h ALA 172 Ca 0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1y4i h ALA 172 Cb 0.60 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1y4i h ALA 172 CO 0.04 0.14 0.15 0.78 0.00 0.00 0.00 179.25 180.35 1y4i h GLY 173 N 0.78 0.42 0.63 0.00 0.00 -1.04 0.41 103.07 104.28 1y4i h GLY 173 Ca 0.30 -0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.47 1y4i h GLY 173 CO -0.15 0.19 0.08 -2.22 0.00 0.00 0.00 176.54 174.44 1y4i h ILE 174 N 0.33 0.85 -0.64 2.60 2.04 -1.00 -1.45 117.51 120.24 1y4i h ILE 174 Ca 0.10 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 1y4i h ILE 174 Cb 0.09 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1y4i h ILE 174 CO -0.01 0.04 0.23 0.00 0.00 0.00 0.00 178.15 178.41 1y4i h ALA 175 N 1.24 0.83 -0.10 1.87 0.00 -0.86 -2.70 119.26 119.54 1y4i h ALA 175 Ca 0.16 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 1y4i h ALA 175 Cb 0.16 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1y4i h ALA 175 CO -0.19 0.47 -0.71 0.45 0.00 0.00 0.00 179.25 179.27 1y4i h HIS 176 N 0.91 0.61 -0.52 0.00 3.86 -0.69 0.25 115.15 119.56 1y4i h HIS 176 Ca 0.21 -0.26 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1y4i h HIS 176 Cb 0.24 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 1y4i h HIS 176 CO 0.02 1.02 0.31 0.37 0.86 0.00 0.00 177.93 180.51 1y4i h GLN 177 N 0.31 0.69 -0.41 2.45 4.15 -1.23 0.57 115.11 121.64 1y4i h GLN 177 Ca -0.03 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1y4i h GLN 177 Cb 1.28 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.82 1y4i h GLN 177 CO 0.12 0.48 0.00 1.04 -1.93 0.00 0.00 178.83 178.55 1y4i n GLN 178 N -4.43 1.97 -1.59 1.69 1.13 -1.02 -4.94 117.38 110.18 1y4i n GLN 178 Ca 0.05 -1.40 -0.12 0.00 -1.94 0.00 0.00 57.00 53.59 1y4i n GLN 178 Cb 0.07 -1.34 -0.04 0.00 0.11 0.00 0.00 30.24 29.04 1y4i n GLN 178 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1y4i n GLY 179 N 1.06 0.88 3.92 1.08 0.00 0.20 -5.01 105.19 107.32 1y4i n GLY 179 Ca 0.13 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 1y4i n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y4i s ALA 180 N -2.48 3.86 0.34 4.61 0.00 0.80 -4.89 121.76 124.00 1y4i s ALA 180 Ca 0.00 -1.17 -0.18 0.00 0.00 0.00 0.00 51.96 50.61 1y4i s ALA 180 Cb 0.00 -1.65 -0.09 0.00 0.00 0.00 0.00 23.12 21.37 1y4i s ALA 180 CO 0.00 0.40 0.80 -0.51 0.00 0.00 0.00 175.76 176.44 1y4i s LEU 181 N -3.55 4.08 -0.21 0.00 1.43 -0.42 -3.80 118.68 116.22 1y4i s LEU 181 Ca 0.34 1.43 -0.08 0.00 -1.03 0.00 0.00 54.13 54.78 1y4i s LEU 181 Cb -0.10 -4.13 -0.04 0.00 0.03 0.00 0.00 46.19 41.96 1y4i s LEU 181 CO 0.28 -0.21 0.09 -0.22 0.23 0.00 0.00 176.35 176.52 1y4i s LEU 182 N -2.85 3.77 -0.16 1.79 0.20 -1.26 -0.67 118.68 119.50 1y4i s LEU 182 Ca 0.54 0.00 -0.01 0.00 0.69 0.00 0.00 54.13 55.36 1y4i s LEU 182 Cb -0.11 -1.98 -0.01 0.00 -0.43 0.00 0.00 46.19 43.66 1y4i s LEU 182 CO 0.17 0.09 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.50 1y4i s VAL 183 N 0.90 2.91 -0.12 1.68 1.01 0.23 -1.70 120.40 125.30 1y4i s VAL 183 Ca 0.05 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1y4i s VAL 183 Cb -0.14 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 1y4i s VAL 183 CO 0.03 0.50 -0.18 -0.69 0.00 0.00 0.00 175.10 174.76 1y4i s VAL 184 N 0.82 2.57 -0.43 2.92 1.01 -0.24 -1.37 120.40 125.69 1y4i s VAL 184 Ca -0.04 -0.83 -0.25 0.00 0.00 0.00 0.00 61.98 60.86 1y4i s VAL 184 Cb -0.15 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.21 1y4i s VAL 184 CO 0.00 0.54 0.88 -0.62 0.00 0.00 0.00 175.10 175.90 1y4i s ASP 185 N 0.40 6.52 -0.12 3.32 -1.08 0.07 -1.27 116.67 124.52 1y4i s ASP 185 Ca -0.14 0.20 0.18 0.00 -0.52 0.00 0.00 52.55 52.27 1y4i s ASP 185 Cb -0.17 -2.43 0.69 0.00 -1.46 0.00 0.00 42.92 39.55 1y4i s ASP 185 CO 0.06 -0.94 1.60 -3.20 0.52 0.00 0.00 175.17 173.22 1y4i n ASN 186 N 6.89 4.66 -0.18 -0.34 5.15 -0.30 -3.48 115.26 127.66 1y4i n ASN 186 Ca 0.05 -2.48 -0.02 0.00 -0.60 0.00 0.00 54.58 51.53 1y4i n ASN 186 Cb 0.48 -0.56 0.04 0.00 -0.53 0.00 0.00 39.78 39.21 1y4i n ASN 186 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1y4i h THR 187 N 3.83 0.45 0.00 -0.44 2.02 -1.89 0.15 112.91 117.02 1y4i h THR 187 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1y4i h THR 187 Cb 1.43 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1y4i h THR 187 CO 0.23 0.00 -0.09 -0.26 0.37 0.00 0.00 175.52 175.76 1y4i h PHE 188 N -0.01 0.00 0.01 3.16 0.04 -1.85 -3.25 116.94 115.04 1y4i h PHE 188 Ca 0.26 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.67 1y4i h PHE 188 Cb 0.40 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.50 1y4i h PHE 188 CO -0.46 0.09 -1.98 -1.33 -0.60 0.00 0.00 178.31 174.04 1y4i n MET 189 N -3.15 0.60 -0.37 1.51 2.81 -0.90 -4.73 117.12 112.89 1y4i n MET 189 Ca 0.02 0.38 0.05 0.00 -1.81 0.00 0.00 57.70 56.34 1y4i n MET 189 Cb 0.49 -1.62 -0.02 0.00 -0.71 0.00 0.00 33.22 31.37 1y4i n MET 189 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1y4i n SER 190 N -4.16 -2.22 -0.32 7.83 3.41 0.47 -3.58 113.62 115.06 1y4i n SER 190 Ca -0.43 0.26 0.15 0.00 -0.26 0.00 0.00 58.87 58.59 1y4i n SER 190 Cb 0.83 -1.19 0.38 0.00 -0.26 0.00 0.00 64.21 63.97 1y4i n SER 190 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1y4i h PRO 191 N -0.35 0.64 -0.55 4.33 0.11 -1.85 -1.57 132.00 132.75 1y4i h PRO 191 Ca -0.02 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1y4i h PRO 191 Cb 0.35 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.29 1y4i h PRO 191 CO 0.01 0.42 0.19 -0.92 -0.21 0.00 0.00 178.00 177.49 1y4i h TYR 192 N 0.65 0.82 0.00 0.65 3.20 -1.91 -3.26 116.97 117.13 1y4i h TYR 192 Ca 0.55 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.36 1y4i h TYR 192 Cb 1.00 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 39.02 1y4i h TYR 192 CO -0.00 0.66 -1.75 0.00 -1.64 0.00 0.00 178.16 175.42 1y4i s GLN 194 N -3.12 0.66 -0.54 0.00 0.74 -0.80 -1.05 119.66 115.56 1y4i s GLN 194 Ca -0.06 0.58 0.04 0.00 0.05 0.00 0.00 55.36 55.97 1y4i s GLN 194 Cb 0.10 0.32 0.16 0.00 1.10 0.00 0.00 33.01 34.70 1y4i s GLN 194 CO 0.68 -0.11 0.39 -0.65 -0.55 0.00 0.00 175.29 175.04 1y4i s GLN 195 N -0.06 1.61 0.31 1.67 -0.21 -1.26 -4.20 119.66 117.52 1y4i s GLN 195 Ca -0.03 -2.60 0.04 0.00 0.02 0.00 0.00 55.36 52.79 1y4i s GLN 195 Cb -0.03 -2.39 0.65 0.00 1.00 0.00 0.00 33.01 32.23 1y4i s GLN 195 CO 0.02 -1.31 1.85 -1.35 -2.12 0.00 0.00 175.29 172.39 1y4i h PRO 196 N 5.72 0.86 -0.31 2.91 0.11 -1.95 -0.02 132.00 139.32 1y4i h PRO 196 Ca 0.17 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.24 1y4i h PRO 196 Cb 0.85 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.75 1y4i h PRO 196 CO 0.53 0.57 0.21 -0.07 -0.21 0.00 0.00 178.00 179.03 1y4i h LEU 197 N 0.89 0.33 -0.40 2.35 3.38 -1.80 -0.71 115.31 119.35 1y4i h LEU 197 Ca 0.47 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1y4i h LEU 197 Cb 0.55 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1y4i h LEU 197 CO -0.23 0.23 0.00 -0.61 0.09 0.00 0.00 178.44 177.92 1y4i h GLN 198 N 0.38 0.00 -0.03 1.13 5.75 -1.24 -2.86 115.11 118.25 1y4i h GLN 198 Ca 0.12 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1y4i h GLN 198 Cb 0.01 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.56 1y4i h GLN 198 CO -0.03 0.00 -0.10 1.28 -2.65 0.00 0.00 178.83 177.34 1y4i n LEU 199 N -2.33 2.77 0.00 -2.39 4.77 -0.33 -4.98 117.00 114.51 1y4i n LEU 199 Ca 0.04 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 1y4i n LEU 199 Cb 0.34 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1y4i n LEU 199 CO 0.26 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1y4i n GLY 200 N 1.36 0.97 3.67 -0.72 0.00 -0.98 -3.87 105.19 105.61 1y4i n GLY 200 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1y4i n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y4i n ALA 201 N -0.67 0.77 -0.02 4.61 0.00 -0.87 -4.86 120.51 119.46 1y4i n ALA 201 Ca 0.00 0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.45 1y4i n ALA 201 Cb 0.00 -2.20 -0.14 0.00 0.00 0.00 0.00 19.45 17.11 1y4i n ALA 201 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1y4i n ASP 202 N -0.45 1.08 -3.81 0.00 8.00 -0.69 -4.36 116.55 116.32 1y4i n ASP 202 Ca 0.11 0.35 -0.13 0.00 0.71 0.00 0.00 54.79 55.83 1y4i n ASP 202 Cb 0.44 -0.17 -0.13 0.00 -0.02 0.00 0.00 41.12 41.23 1y4i n ASP 202 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1y4i s ILE 203 N -2.58 -0.02 -0.02 0.53 1.01 -1.00 -4.24 121.20 114.89 1y4i s ILE 203 Ca -0.09 0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.70 1y4i s ILE 203 Cb 0.08 -0.18 -0.02 0.00 0.01 0.00 0.00 42.46 42.35 1y4i s ILE 203 CO 0.81 0.02 -0.24 0.54 0.00 0.00 0.00 174.94 176.07 1y4i s VAL 204 N 0.40 2.21 0.09 2.92 0.11 -0.48 -1.08 120.40 124.57 1y4i s VAL 204 Ca -0.03 -1.09 0.08 0.00 -2.93 0.00 0.00 61.98 58.01 1y4i s VAL 204 Cb -0.04 -1.79 -0.03 0.00 -1.53 0.00 0.00 36.38 32.99 1y4i s VAL 204 CO -0.02 0.55 -0.20 0.68 -3.33 0.00 0.00 175.10 172.79 1y4i s VAL 205 N -0.65 1.64 0.04 2.04 -7.23 -0.40 -0.95 120.40 114.89 1y4i s VAL 205 Ca 0.10 -1.44 0.03 0.00 -1.81 0.00 0.00 61.98 58.87 1y4i s VAL 205 Cb -0.10 -1.48 -0.02 0.00 0.56 0.00 0.00 36.38 35.33 1y4i s VAL 205 CO -0.00 -0.02 -0.10 -1.00 -0.31 0.00 0.00 175.10 173.67 1y4i s HIS 206 N -1.09 0.86 -0.47 2.82 3.76 -0.54 -1.15 115.29 119.49 1y4i s HIS 206 Ca 0.06 -0.42 -0.27 0.00 -0.15 0.00 0.00 55.06 54.27 1y4i s HIS 206 Cb -0.10 -0.51 0.03 0.00 1.11 0.00 0.00 32.58 33.11 1y4i s HIS 206 CO 0.03 -0.02 1.02 0.45 -0.85 0.00 0.00 174.74 175.37 1y4i s SER 207 N -1.40 6.57 0.08 1.40 0.15 -1.26 -1.41 113.70 117.83 1y4i s SER 207 Ca -0.05 0.29 0.19 0.00 0.70 0.00 0.00 55.95 57.08 1y4i s SER 207 Cb -0.09 -2.50 0.81 0.00 -1.71 0.00 0.00 66.02 62.53 1y4i s SER 207 CO 0.01 -1.14 1.61 1.33 1.20 0.00 0.00 173.24 176.25 1y4i n VAL 208 N 6.60 0.80 0.00 4.45 0.24 -0.46 -4.54 118.33 125.43 1y4i n VAL 208 Ca 0.09 0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.57 1y4i n VAL 208 Cb 0.49 -0.96 0.00 0.00 -1.47 0.00 0.00 33.84 31.90 1y4i n VAL 208 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1y4i n THR 209 N -1.75 0.00 -0.33 3.34 -1.04 -1.19 -0.84 114.28 112.47 1y4i n THR 209 Ca 0.04 0.00 0.29 0.00 -2.04 0.00 0.00 64.05 62.33 1y4i n THR 209 Cb 0.22 -0.85 0.54 0.00 -1.82 0.00 0.00 70.33 68.43 1y4i n THR 209 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1y4i h TYR 211 N 0.00 0.86 -0.22 -1.42 0.05 -1.80 -3.41 116.97 111.04 1y4i h TYR 211 Ca 0.00 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 1y4i h TYR 211 Cb 0.00 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.52 1y4i h TYR 211 CO 0.00 -0.33 0.11 0.82 -1.05 0.00 0.00 178.16 177.71 1y4i h ILE 212 N 0.15 1.13 0.18 -2.88 2.04 -1.83 -3.04 117.51 113.27 1y4i h ILE 212 Ca 0.80 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 66.27 1y4i h ILE 212 Cb 2.01 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1y4i h ILE 212 CO -0.68 0.13 -0.09 -1.13 0.00 0.00 0.00 178.15 176.38 1y4i h ASN 213 N 0.23 -0.21 0.00 1.72 -1.24 -1.26 -2.93 115.58 111.90 1y4i h ASN 213 Ca 0.08 -0.21 0.00 0.00 0.71 0.00 0.00 56.30 56.87 1y4i h ASN 213 Cb 0.11 0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.21 1y4i h ASN 213 CO -0.01 0.34 0.00 0.61 -1.29 0.00 0.00 177.43 177.08 1y4i n GLY 214 N 0.91 2.48 1.00 1.57 0.00 -1.15 -4.27 105.19 105.72 1y4i n GLY 214 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.06 1y4i n GLY 214 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1y4i n HIS 215 N -2.00 0.46 -2.16 1.61 8.25 -1.26 -2.59 115.22 117.52 1y4i n HIS 215 Ca 0.00 -0.27 -0.13 0.00 -0.26 0.00 0.00 57.72 57.06 1y4i n HIS 215 Cb 0.00 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.09 1y4i n HIS 215 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1y4i n GLY 216 N 1.25 -0.01 0.13 -1.41 0.00 -1.26 -4.81 105.19 99.07 1y4i n GLY 216 Ca 0.17 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1y4i n GLY 216 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1y4i n ASP 217 N -0.48 0.00 -3.87 1.61 5.68 -1.26 -5.05 116.55 113.18 1y4i n ASP 217 Ca -0.15 -1.22 -0.16 0.00 -0.50 0.00 0.00 54.79 52.75 1y4i n ASP 217 Cb 0.60 -0.04 -0.15 0.00 -1.14 0.00 0.00 41.12 40.38 1y4i n ASP 217 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1y4i s VAL 218 N 0.00 0.25 -0.17 2.12 1.01 -1.26 -5.10 120.40 117.25 1y4i s VAL 218 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 1y4i s VAL 218 Cb 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 1y4i s VAL 218 CO 0.00 0.13 0.08 -0.63 0.00 0.00 0.00 175.10 174.67 1y4i s ILE 219 N 0.57 4.95 -0.08 2.22 1.01 -1.26 -4.15 121.20 124.46 1y4i s ILE 219 Ca -0.06 0.02 -0.32 0.00 0.00 0.00 0.00 60.65 60.29 1y4i s ILE 219 Cb -0.09 -3.22 0.13 0.00 0.01 0.00 0.00 42.46 39.29 1y4i s ILE 219 CO -0.01 0.48 1.31 -0.83 0.00 0.00 0.00 174.94 175.89 1y4i s GLY 220 N 0.15 -0.39 0.17 6.18 0.00 -1.24 -4.54 107.32 107.64 1y4i s GLY 220 Ca 0.06 1.01 -0.10 0.00 0.00 0.00 0.00 44.72 45.68 1y4i s GLY 220 CO 0.00 0.25 0.32 -0.32 0.00 0.00 0.00 173.10 173.35 1y4i s GLY 221 N -2.77 0.40 -0.01 0.20 0.00 -0.58 -1.35 107.32 103.22 1y4i s GLY 221 Ca 0.13 -0.80 -0.10 0.00 0.00 0.00 0.00 44.72 43.96 1y4i s GLY 221 CO -0.04 -0.76 0.20 -1.50 0.00 0.00 0.00 173.10 171.00 1y4i s ILE 222 N -3.96 0.07 -0.03 0.90 1.10 -0.50 -0.94 121.20 117.85 1y4i s ILE 222 Ca 0.16 -0.57 0.04 0.00 -0.51 0.00 0.00 60.65 59.77 1y4i s ILE 222 Cb 0.03 -0.49 -0.00 0.00 0.15 0.00 0.00 42.46 42.14 1y4i s ILE 222 CO -0.00 -0.31 -0.14 -0.63 -2.11 0.00 0.00 174.94 171.74 1y4i s ILE 223 N -1.27 1.16 -0.02 2.00 1.01 0.79 -1.47 121.20 123.40 1y4i s ILE 223 Ca -0.13 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 59.97 1y4i s ILE 223 Cb -0.06 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.41 1y4i s ILE 223 CO 0.02 0.34 -0.13 -0.69 0.00 0.00 0.00 174.94 174.48 1y4i s VAL 224 N -0.03 1.05 0.00 2.92 1.01 -0.13 -0.30 120.40 124.91 1y4i s VAL 224 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1y4i s VAL 224 Cb -0.09 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1y4i s VAL 224 CO 0.01 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1y4i n GLY 225 N 2.97 1.17 3.76 4.51 0.00 -0.86 -1.38 105.19 115.35 1y4i n GLY 225 Ca -0.16 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 1y4i n GLY 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y4i s LYS 226 N 1.19 3.46 0.22 1.61 -0.14 -1.26 -1.68 119.74 123.14 1y4i s LYS 226 Ca 0.00 1.85 -0.09 0.00 -1.36 0.00 0.00 55.97 56.37 1y4i s LYS 226 Cb 0.00 -2.25 0.34 0.00 -1.68 0.00 0.00 37.83 34.25 1y4i s LYS 226 CO 0.00 -0.82 1.69 1.96 -0.76 0.00 0.00 175.35 177.42 1y4i h GLN 227 N 1.63 0.23 -0.68 1.68 1.08 -1.90 0.35 115.11 117.49 1y4i h GLN 227 Ca -0.50 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 56.73 1y4i h GLN 227 Cb 1.27 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 28.60 1y4i h GLN 227 CO 0.58 0.15 0.41 1.49 -0.95 0.00 0.00 178.83 180.51 1y4i h GLU 228 N 0.24 0.75 -0.10 1.46 4.81 -2.00 0.20 114.58 119.93 1y4i h GLU 228 Ca 0.35 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.50 1y4i h GLU 228 Cb 0.55 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 1y4i h GLU 228 CO -0.46 0.50 -0.04 0.35 -0.73 0.00 0.00 179.01 178.63 1y4i h PHE 229 N 0.77 0.24 -0.64 0.92 3.57 -1.65 -3.14 116.94 117.01 1y4i h PHE 229 Ca 0.29 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.69 1y4i h PHE 229 Cb 0.10 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1y4i h PHE 229 CO -0.06 0.54 0.21 0.82 -2.23 0.00 0.00 178.31 177.59 1y4i h ILE 230 N -0.14 1.24 -0.99 1.41 1.08 -0.51 0.52 117.51 120.12 1y4i h ILE 230 Ca 0.02 -0.80 0.10 0.00 -0.39 0.00 0.00 64.86 63.80 1y4i h ILE 230 Cb 0.47 0.52 -0.08 0.00 -3.07 0.00 0.00 36.82 34.67 1y4i h ILE 230 CO 0.01 0.31 0.63 0.44 -0.69 0.00 0.00 178.15 178.85 1y4i h ASP 231 N 0.93 0.94 -0.14 1.72 3.32 -0.67 0.11 116.42 122.64 1y4i h ASP 231 Ca 0.21 0.03 -0.17 0.00 0.02 0.00 0.00 57.03 57.12 1y4i h ASP 231 Cb 0.25 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.65 1y4i h ASP 231 CO -0.01 0.53 -0.58 1.56 -1.72 0.00 0.00 179.24 179.02 1y4i h GLN 232 N 1.03 0.64 -0.10 3.56 1.08 -1.14 -0.38 115.11 119.80 1y4i h GLN 232 Ca 0.47 -0.50 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 1y4i h GLN 232 Cb 0.40 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1y4i h GLN 232 CO -0.23 1.12 -0.03 0.00 -0.95 0.00 0.00 178.83 178.74 1y4i h ALA 233 N 0.52 1.76 0.00 3.87 0.00 -0.52 0.23 119.26 125.13 1y4i h ALA 233 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1y4i h ALA 233 Cb 1.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1y4i h ALA 233 CO 0.12 0.18 -0.06 -0.09 0.00 0.00 0.00 179.25 179.40 1y4i h ARG 234 N 0.14 0.00 0.00 0.00 2.43 -0.96 0.17 114.38 116.16 1y4i h ARG 234 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1y4i h ARG 234 Cb 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1y4i h ARG 234 CO 0.01 0.00 -0.04 1.19 -1.51 0.00 0.00 179.97 179.61 1y4i n PHE 235 N -4.42 0.60 0.00 2.20 3.72 -0.16 -1.97 117.46 117.44 1y4i n PHE 235 Ca -0.01 0.18 -0.03 0.00 -0.05 0.00 0.00 57.45 57.53 1y4i n PHE 235 Cb 0.03 -0.77 -0.01 0.00 -0.94 0.00 0.00 39.48 37.79 1y4i n PHE 235 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1y4i n VAL 236 N -2.00 0.80 0.26 -4.37 0.31 -0.04 -4.53 118.33 108.77 1y4i n VAL 236 Ca 0.06 0.16 -0.16 0.00 -0.01 0.00 0.00 64.34 64.39 1y4i n VAL 236 Cb 0.40 -1.65 -0.08 0.00 -0.91 0.00 0.00 33.84 31.60 1y4i n VAL 236 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1y4i h GLY 237 N -0.17 -0.66 0.32 2.92 0.00 -0.92 0.12 103.07 104.67 1y4i h GLY 237 Ca -0.06 0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.52 1y4i h GLY 237 CO -0.03 -0.24 -0.01 -2.00 0.00 0.00 0.00 176.54 174.26 1y4i h LEU 238 N -0.71 -0.01 -0.84 3.11 5.85 -0.70 0.12 115.31 122.12 1y4i h LEU 238 Ca -0.06 -0.66 -0.09 0.00 0.84 0.00 0.00 57.88 57.91 1y4i h LEU 238 Cb 0.52 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1y4i h LEU 238 CO 0.11 0.66 -0.12 0.50 -0.34 0.00 0.00 178.44 179.24 1y4i h LYS 239 N -0.70 0.73 0.00 1.25 3.64 -1.45 0.58 116.57 120.62 1y4i h LYS 239 Ca -0.00 -0.24 -0.21 0.00 -1.27 0.00 0.00 60.65 58.92 1y4i h LYS 239 Cb 0.67 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 1y4i h LYS 239 CO 0.00 0.82 -1.81 -0.25 -2.27 0.00 0.00 179.45 175.95 1y4i n ASP 240 N -4.16 2.47 -0.03 4.20 8.00 0.38 -4.79 116.55 122.61 1y4i n ASP 240 Ca 0.01 -0.03 -0.04 0.00 0.71 0.00 0.00 54.79 55.44 1y4i n ASP 240 Cb 0.37 0.34 -0.01 0.00 -0.02 0.00 0.00 41.12 41.80 1y4i n ASP 240 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1y4i n ILE 241 N -2.64 0.68 0.00 0.53 5.41 -0.17 -4.79 119.36 118.38 1y4i n ILE 241 Ca -0.22 0.31 -0.01 0.00 1.00 0.00 0.00 62.75 63.83 1y4i n ILE 241 Cb 0.83 -1.80 -0.11 0.00 -0.71 0.00 0.00 39.64 37.85 1y4i n ILE 241 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1y4i n THR 242 N -3.35 1.15 -2.12 1.39 -2.24 0.24 -4.97 114.28 104.38 1y4i n THR 242 Ca -0.06 -0.71 -0.19 0.00 -2.27 0.00 0.00 64.05 60.82 1y4i n THR 242 Cb 0.21 -0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 67.74 1y4i n THR 242 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y4i n GLY 243 N 1.45 0.27 2.31 3.38 0.00 0.20 -4.87 105.19 107.93 1y4i n GLY 243 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 1y4i n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y4i n GLY 244 N -0.77 4.06 3.77 -0.02 0.00 -1.26 -4.94 105.19 106.04 1y4i n GLY 244 Ca -0.21 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 1y4i n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y4i s MET 246 N -2.09 4.43 0.39 0.00 1.75 -1.26 -3.73 119.30 118.78 1y4i s MET 246 Ca 0.54 0.97 -0.25 0.00 -1.25 0.00 0.00 55.69 55.70 1y4i s MET 246 Cb -0.37 -3.30 -0.09 0.00 2.84 0.00 0.00 34.83 33.92 1y4i s MET 246 CO 0.48 0.47 1.09 -1.54 -0.65 0.00 0.00 175.02 174.87 1y4i s SER 247 N -0.67 6.72 0.40 1.11 1.04 -1.26 -4.87 113.70 116.16 1y4i s SER 247 Ca 0.34 2.17 0.08 0.00 0.48 0.00 0.00 55.95 59.02 1y4i s SER 247 Cb -0.21 -2.60 0.86 0.00 0.10 0.00 0.00 66.02 64.18 1y4i s SER 247 CO 0.22 -0.53 2.01 -0.65 0.98 0.00 0.00 173.24 175.28 1y4i h PRO 248 N 2.67 0.57 -0.40 4.02 0.11 -1.94 -0.83 132.00 136.19 1y4i h PRO 248 Ca -0.48 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1y4i h PRO 248 Cb 1.22 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1y4i h PRO 248 CO 0.63 0.38 0.17 0.35 -0.21 0.00 0.00 178.00 179.31 1y4i h PHE 249 N 0.58 0.61 -0.49 0.65 3.57 -1.91 0.23 116.94 120.19 1y4i h PHE 249 Ca 0.23 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1y4i h PHE 249 Cb 0.18 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1y4i h PHE 249 CO -0.00 0.53 0.25 -0.91 -2.23 0.00 0.00 178.31 175.95 1y4i h ASN 250 N 0.51 0.59 -0.52 0.41 4.21 -1.58 -1.04 115.58 118.16 1y4i h ASN 250 Ca 0.13 -0.04 -0.12 0.00 1.21 0.00 0.00 56.30 57.49 1y4i h ASN 250 Cb 0.18 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.21 1y4i h ASN 250 CO -0.01 0.49 -0.13 0.00 -1.29 0.00 0.00 177.43 176.50 1y4i h ALA 251 N 1.60 0.78 -0.23 -0.83 0.00 -0.85 -0.84 119.26 118.89 1y4i h ALA 251 Ca 0.17 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1y4i h ALA 251 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1y4i h ALA 251 CO -0.03 0.67 0.08 2.35 0.00 0.00 0.00 179.25 182.33 1y4i h TRP 252 N 0.89 0.36 -0.68 0.00 7.01 -0.52 -0.00 115.95 123.01 1y4i h TRP 252 Ca 0.14 -0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.07 1y4i h TRP 252 Cb 0.69 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.61 1y4i h TRP 252 CO 0.05 0.41 0.27 -0.07 -2.79 0.00 0.00 178.44 176.30 1y4i h LEU 253 N 0.21 0.92 -0.38 0.65 3.38 -1.10 -0.84 115.31 118.16 1y4i h LEU 253 Ca 0.08 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1y4i h LEU 253 Cb 0.21 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1y4i h LEU 253 CO -0.00 0.82 -0.22 0.74 0.09 0.00 0.00 178.44 179.87 1y4i h THR 254 N 0.98 1.28 -0.58 0.22 2.02 -0.91 0.18 112.91 116.10 1y4i h THR 254 Ca 0.23 -1.36 0.10 0.00 0.77 0.00 0.00 66.41 66.15 1y4i h THR 254 Cb 0.19 1.35 -0.08 0.00 -1.74 0.00 0.00 68.15 67.87 1y4i h THR 254 CO -0.02 0.45 0.16 -0.07 0.37 0.00 0.00 175.52 176.42 1y4i h LEU 255 N 0.61 0.10 -0.38 2.58 3.38 -0.73 0.38 115.31 121.25 1y4i h LEU 255 Ca 0.08 0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1y4i h LEU 255 Cb 0.78 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1y4i h LEU 255 CO 0.06 0.06 -0.04 -0.09 0.09 0.00 0.00 178.44 178.53 1y4i h ARG 256 N 0.31 0.69 -0.13 1.13 2.43 -0.92 -3.07 114.38 114.83 1y4i h ARG 256 Ca 0.30 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1y4i h ARG 256 Cb 0.40 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1y4i h ARG 256 CO -0.34 0.81 0.08 0.78 -1.51 0.00 0.00 179.97 179.79 1y4i h GLY 257 N 0.50 0.19 2.00 2.80 0.00 -0.31 -2.89 103.07 105.37 1y4i h GLY 257 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1y4i h GLY 257 CO 0.03 0.08 0.00 -0.24 0.00 0.00 0.00 176.54 176.40 1y4i h VAL 258 N 0.14 0.00 -0.68 4.60 3.04 -0.05 -2.55 116.25 120.76 1y4i h VAL 258 Ca 0.05 -0.16 0.10 0.00 -1.01 0.00 0.00 66.70 65.68 1y4i h VAL 258 Cb 0.03 0.82 -0.04 0.00 -2.01 0.00 0.00 31.29 30.09 1y4i h VAL 258 CO -0.01 0.00 0.45 0.11 -1.01 0.00 0.00 177.57 177.11 1y4i h LYS 259 N 0.00 0.50 -0.60 4.17 1.79 -1.41 -0.97 116.57 120.06 1y4i h LYS 259 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1y4i h LYS 259 Cb 0.23 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1y4i h LYS 259 CO 0.00 0.33 0.00 0.25 -1.08 0.00 0.00 179.45 178.95 1y4i n THR 260 N -4.48 0.79 -0.20 -0.16 -2.24 -0.96 -4.57 114.28 102.46 1y4i n THR 260 Ca 0.11 -0.83 -0.01 0.00 -2.27 0.00 0.00 64.05 61.05 1y4i n THR 260 Cb 0.37 0.50 0.06 0.00 -2.10 0.00 0.00 70.33 69.16 1y4i n THR 260 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1y4i h LEU 261 N 3.81 -0.57 0.19 3.22 5.85 -1.27 0.33 115.31 126.86 1y4i h LEU 261 Ca 0.00 0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1y4i h LEU 261 Cb 0.87 0.38 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 1y4i h LEU 261 CO 0.00 -0.20 -0.22 1.23 -0.34 0.00 0.00 178.44 178.91 1y4i h GLY 262 N -0.00 -0.45 2.00 3.75 0.00 -1.84 0.41 103.07 106.93 1y4i h GLY 262 Ca 0.29 0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.79 1y4i h GLY 262 CO -0.62 -0.20 -0.35 0.16 0.00 0.00 0.00 176.54 175.53 1y4i h ILE 263 N -0.45 0.73 -0.05 2.60 3.07 -1.84 -1.66 117.51 119.91 1y4i h ILE 263 Ca 0.01 -1.57 -0.15 0.00 1.55 0.00 0.00 64.86 64.69 1y4i h ILE 263 Cb 0.43 2.02 0.01 0.00 -0.27 0.00 0.00 36.82 39.02 1y4i h ILE 263 CO -0.07 0.34 -0.57 0.03 -1.05 0.00 0.00 178.15 176.83 1y4i h ARG 264 N 0.00 0.47 -0.63 0.16 3.08 -0.77 -2.47 114.38 114.21 1y4i h ARG 264 Ca -0.00 -0.44 -0.05 0.00 0.07 0.00 0.00 59.98 59.55 1y4i h ARG 264 Cb 1.00 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.13 1y4i h ARG 264 CO 0.05 1.09 0.21 0.52 -1.07 0.00 0.00 179.97 180.76 1y4i h MET 265 N 0.01 0.98 -0.27 0.04 2.86 -0.80 0.44 114.93 118.20 1y4i h MET 265 Ca -0.06 -0.20 0.05 0.00 -2.06 0.00 0.00 59.70 57.43 1y4i h MET 265 Cb 1.25 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 1y4i h MET 265 CO 0.12 0.85 0.18 0.93 1.06 0.00 0.00 176.91 180.05 1y4i h GLU 266 N 0.91 0.13 0.05 1.72 4.39 -1.36 -0.62 114.58 119.80 1y4i h GLU 266 Ca 0.21 -0.01 -0.31 0.00 0.34 0.00 0.00 59.36 59.59 1y4i h GLU 266 Cb 0.28 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1y4i h GLU 266 CO -0.01 0.08 -1.72 -0.09 -1.16 0.00 0.00 179.01 176.12 1y4i h ARG 267 N 0.13 0.11 -0.44 2.33 9.65 0.18 -0.21 114.38 126.12 1y4i h ARG 267 Ca 0.12 -0.19 -0.04 0.00 -1.10 0.00 0.00 59.98 58.78 1y4i h ARG 267 Cb 0.31 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.94 1y4i h ARG 267 CO -0.02 0.81 0.14 0.45 2.80 0.00 0.00 179.97 184.15 1y4i h HIS 268 N 0.03 0.71 -0.22 2.20 3.86 -0.42 0.06 115.15 121.38 1y4i h HIS 268 Ca -0.30 -0.07 -0.16 0.00 -1.16 0.00 0.00 60.37 58.67 1y4i h HIS 268 Cb 2.01 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 30.27 1y4i h HIS 268 CO 0.03 0.64 -0.50 0.00 0.86 0.00 0.00 177.93 178.97 1y4i h GLU 270 N 0.46 0.39 0.01 0.00 4.81 -0.87 -1.02 114.58 118.36 1y4i h GLU 270 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1y4i h GLU 270 Cb 1.11 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 1y4i h GLU 270 CO 0.11 0.48 -0.02 -0.91 -0.73 0.00 0.00 179.01 177.94 1y4i h ASN 271 N 0.23 -0.05 -0.77 1.04 2.35 -0.92 -2.65 115.58 114.82 1y4i h ASN 271 Ca 0.08 0.01 0.05 0.00 -0.55 0.00 0.00 56.30 55.89 1y4i h ASN 271 Cb 0.26 0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.59 1y4i h ASN 271 CO -0.00 -0.03 0.46 0.00 -1.65 0.00 0.00 177.43 176.21 1y4i h ALA 272 N 0.95 1.03 -0.58 -0.83 0.00 -0.70 -0.95 119.26 118.18 1y4i h ALA 272 Ca 0.00 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1y4i h ALA 272 Cb 0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1y4i h ALA 272 CO -0.01 0.19 0.35 1.25 0.00 0.00 0.00 179.25 181.03 1y4i h LEU 273 N 0.86 0.56 -0.04 0.00 6.46 -1.14 0.38 115.31 122.39 1y4i h LEU 273 Ca 0.33 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 58.09 1y4i h LEU 273 Cb 0.14 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1y4i h LEU 273 CO -0.16 0.39 0.02 0.11 -0.62 0.00 0.00 178.44 178.18 1y4i h LYS 274 N 0.69 0.06 -0.10 1.25 1.57 -1.09 -0.53 116.57 118.42 1y4i h LYS 274 Ca 0.24 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1y4i h LYS 274 Cb 0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1y4i h LYS 274 CO -0.11 0.17 0.04 0.82 -0.57 0.00 0.00 179.45 179.80 1y4i h ILE 275 N -0.06 0.99 -0.68 1.86 2.04 -0.99 -1.22 117.51 119.43 1y4i h ILE 275 Ca 0.01 -0.03 0.10 0.00 1.00 0.00 0.00 64.86 65.94 1y4i h ILE 275 Cb 0.13 0.89 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 1y4i h ILE 275 CO -0.00 0.02 0.31 0.00 0.00 0.00 0.00 178.15 178.48 1y4i h ALA 276 N 1.05 0.93 -0.61 1.87 0.00 -0.16 -0.08 119.26 122.27 1y4i h ALA 276 Ca 0.04 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1y4i h ALA 276 Cb 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1y4i h ALA 276 CO -0.04 -0.10 0.12 0.00 0.00 0.00 0.00 179.25 179.23 1y4i h ARG 277 N 0.53 0.99 -0.31 0.00 3.08 -0.97 0.19 114.38 117.89 1y4i h ARG 277 Ca 0.34 -0.25 0.02 0.00 0.07 0.00 0.00 59.98 60.15 1y4i h ARG 277 Cb 0.39 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1y4i h ARG 277 CO -0.29 0.92 0.17 0.35 -1.07 0.00 0.00 179.97 180.05 1y4i h PHE 278 N 0.90 0.32 -0.60 3.04 3.57 -0.71 -2.50 116.94 120.96 1y4i h PHE 278 Ca 0.19 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.61 1y4i h PHE 278 Cb 0.40 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1y4i h PHE 278 CO 0.03 0.18 0.03 -0.07 -2.23 0.00 0.00 178.31 176.25 1y4i h LEU 279 N 0.35 1.01 -2.35 0.59 3.38 -0.77 -2.17 115.31 115.34 1y4i h LEU 279 Ca 0.12 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1y4i h LEU 279 Cb 0.01 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1y4i h LEU 279 CO -0.07 1.05 -0.02 -0.08 0.09 0.00 0.00 178.44 179.41 1y4i h GLU 280 N 0.96 0.00 -0.17 1.13 4.81 -0.49 -2.19 114.58 118.62 1y4i h GLU 280 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1y4i h GLU 280 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1y4i h GLU 280 CO 0.02 0.02 0.00 0.41 -0.73 0.00 0.00 179.01 178.73 1y4i n GLY 281 N -1.26 0.87 3.61 1.92 0.00 -0.84 -4.94 105.19 104.54 1y4i n GLY 281 Ca -0.03 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 1y4i n GLY 281 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1y4i s HIS 282 N -1.79 3.25 -0.30 1.61 5.65 -0.82 -4.98 115.29 117.91 1y4i s HIS 282 Ca 0.34 0.20 0.24 0.00 0.25 0.00 0.00 55.06 56.10 1y4i s HIS 282 Cb 0.20 -2.39 1.13 0.00 -1.18 0.00 0.00 32.58 30.34 1y4i s HIS 282 CO 0.30 -0.12 1.72 -1.00 -0.65 0.00 0.00 174.74 174.99 1y4i h PRO 283 N 8.14 0.00 -0.02 2.88 0.13 -1.92 -0.98 132.00 140.23 1y4i h PRO 283 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1y4i h PRO 283 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1y4i h PRO 283 CO 0.59 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.79 1y4i n SER 284 N -2.31 1.51 -4.32 1.44 7.64 -1.26 -4.75 113.62 111.57 1y4i n SER 284 Ca 0.00 -1.50 -0.37 0.00 1.01 0.00 0.00 58.87 58.01 1y4i n SER 284 Cb 0.14 -0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.22 1y4i n SER 284 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1y4i s ILE 285 N -2.00 3.82 0.14 0.44 -1.09 -0.37 -0.20 121.20 121.94 1y4i s ILE 285 Ca 0.38 -0.81 -0.09 0.00 -2.23 0.00 0.00 60.65 57.89 1y4i s ILE 285 Cb 0.21 -3.01 -0.07 0.00 -1.58 0.00 0.00 42.46 38.01 1y4i s ILE 285 CO 0.33 0.04 1.44 0.71 -1.23 0.00 0.00 174.94 176.23 1y4i h THR 286 N 5.95 1.28 -3.31 2.92 1.35 -1.62 -3.46 112.91 116.03 1y4i h THR 286 Ca -0.30 -1.72 -0.16 0.00 -0.55 0.00 0.00 66.41 63.69 1y4i h THR 286 Cb 1.12 1.62 -0.23 0.00 -1.73 0.00 0.00 68.15 68.92 1y4i h THR 286 CO 0.60 0.56 -0.46 -0.13 -0.25 0.00 0.00 175.52 175.84 1y4i s ARG 287 N -4.14 0.37 -0.11 4.72 1.81 -1.25 -5.00 118.95 115.35 1y4i s ARG 287 Ca -0.10 -0.01 0.00 0.00 -1.72 0.00 0.00 55.73 53.91 1y4i s ARG 287 Cb 0.11 0.17 0.02 0.00 -0.45 0.00 0.00 34.95 34.79 1y4i s ARG 287 CO 0.88 -0.08 -0.10 0.08 -0.68 0.00 0.00 175.30 175.40 1y4i s VAL 288 N -0.57 1.18 -0.44 3.52 1.01 -1.26 -1.22 120.40 122.63 1y4i s VAL 288 Ca -0.07 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 1y4i s VAL 288 Cb -0.04 -1.15 0.06 0.00 0.00 0.00 0.00 36.38 35.25 1y4i s VAL 288 CO 0.01 0.39 0.33 -0.31 0.00 0.00 0.00 175.10 175.52 1y4i s TYR 289 N 1.41 3.26 -0.27 5.22 2.02 0.13 -4.96 117.35 124.16 1y4i s TYR 289 Ca 0.00 -0.99 -0.08 0.00 -0.37 0.00 0.00 57.07 55.63 1y4i s TYR 289 Cb -0.13 -2.92 0.13 0.00 -0.40 0.00 0.00 41.96 38.63 1y4i s TYR 289 CO -0.06 -0.75 0.58 -0.47 -1.57 0.00 0.00 175.55 173.28 1y4i s TYR 290 N 1.59 -1.22 0.59 2.71 5.04 -1.26 -2.14 117.35 122.66 1y4i s TYR 290 Ca 0.04 2.02 0.28 0.00 -2.44 0.00 0.00 57.07 56.98 1y4i s TYR 290 Cb -0.22 0.63 1.53 0.00 0.35 0.00 0.00 41.96 44.25 1y4i s TYR 290 CO 0.06 -0.65 1.97 -1.35 -1.34 0.00 0.00 175.55 174.24 1y4i h PRO 291 N 8.05 0.00 0.00 4.97 0.11 -1.83 -1.41 132.00 141.88 1y4i h PRO 291 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1y4i h PRO 291 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1y4i h PRO 291 CO 0.13 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.33 1y4i n GLY 292 N -1.48 -1.26 3.81 -0.55 0.00 -1.26 -4.76 105.19 99.69 1y4i n GLY 292 Ca 0.06 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1y4i n GLY 292 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y4i s LEU 293 N -3.04 4.49 0.60 0.99 1.43 -0.53 -4.97 118.68 117.64 1y4i s LEU 293 Ca 0.10 1.31 0.36 0.00 -1.03 0.00 0.00 54.13 54.88 1y4i s LEU 293 Cb 0.14 -3.08 1.89 0.00 0.03 0.00 0.00 46.19 45.17 1y4i s LEU 293 CO 0.40 0.22 2.20 0.28 0.23 0.00 0.00 176.35 179.68 1y4i h SER 294 N 4.25 0.00 -0.02 2.29 0.02 -1.88 -1.42 113.55 116.79 1y4i h SER 294 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1y4i h SER 294 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1y4i h SER 294 CO 0.64 0.03 0.00 -0.24 -1.14 0.00 0.00 176.83 176.12 1y4i n SER 295 N -3.31 0.30 -4.67 3.07 2.88 -1.26 -4.83 113.62 105.80 1y4i n SER 295 Ca -0.02 -1.32 -0.42 0.00 -1.33 0.00 0.00 58.87 55.77 1y4i n SER 295 Cb 0.17 -0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.59 1y4i n SER 295 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1y4i s HIS 296 N -1.98 2.38 0.49 0.66 2.46 -0.54 -4.89 115.29 113.88 1y4i s HIS 296 Ca 0.36 0.46 0.22 0.00 0.47 0.00 0.00 55.06 56.56 1y4i s HIS 296 Cb 0.17 -3.82 1.27 0.00 -0.13 0.00 0.00 32.58 30.07 1y4i s HIS 296 CO 0.28 -3.29 1.96 -1.35 -2.47 0.00 0.00 174.74 169.87 1y4i h PRO 297 N 8.71 0.16 -0.71 2.88 0.11 -1.90 0.95 132.00 142.21 1y4i h PRO 297 Ca -0.38 -0.01 -0.44 0.00 0.11 0.00 0.00 66.00 65.28 1y4i h PRO 297 Cb 1.18 -0.04 -0.25 0.00 0.11 0.00 0.00 31.00 32.00 1y4i h PRO 297 CO 0.94 0.10 0.15 1.04 -0.21 0.00 0.00 178.00 180.02 1y4i n GLN 298 N -4.41 2.44 -0.28 1.05 6.02 -1.26 -4.75 117.38 116.20 1y4i n GLN 298 Ca 0.12 -3.36 0.05 0.00 -0.01 0.00 0.00 57.00 53.80 1y4i n GLN 298 Cb 0.60 -2.09 0.19 0.00 1.02 0.00 0.00 30.24 29.97 1y4i n GLN 298 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1y4i h TYR 299 N 1.46 0.71 -0.40 1.08 3.20 -1.13 -1.87 116.97 120.02 1y4i h TYR 299 Ca 0.42 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.32 1y4i h TYR 299 Cb 1.67 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.73 1y4i h TYR 299 CO 1.22 0.19 0.20 0.93 -1.64 0.00 0.00 178.16 179.06 1y4i h GLU 300 N 0.61 0.57 -0.13 1.82 4.39 -1.85 -2.03 114.58 117.95 1y4i h GLU 300 Ca 0.43 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 60.06 1y4i h GLU 300 Cb 0.56 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1y4i h GLU 300 CO -0.34 0.48 0.05 1.25 -1.16 0.00 0.00 179.01 179.29 1y4i h LEU 301 N 0.51 0.07 -0.96 1.33 5.85 -1.76 -2.57 115.31 117.78 1y4i h LEU 301 Ca 0.14 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.97 1y4i h LEU 301 Cb 0.09 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.04 1y4i h LEU 301 CO -0.02 0.06 0.60 1.23 -0.34 0.00 0.00 178.44 179.97 1y4i h GLY 302 N 0.12 1.52 0.58 3.75 0.00 -1.25 0.08 103.07 107.87 1y4i h GLY 302 Ca 0.06 -0.41 0.08 0.00 0.00 0.00 0.00 47.33 47.06 1y4i h GLY 302 CO -0.05 0.21 0.47 1.46 0.00 0.00 0.00 176.54 178.63 1y4i h GLN 303 N 1.00 0.79 0.00 4.80 1.08 -1.14 0.00 115.11 121.64 1y4i h GLN 303 Ca 0.45 -0.05 -0.13 0.00 -1.45 0.00 0.00 58.65 57.47 1y4i h GLN 303 Cb 0.36 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1y4i h GLN 303 CO -0.23 0.52 -0.63 0.00 -0.95 0.00 0.00 178.83 177.54 1y4i h ARG 304 N 0.81 0.00 0.00 1.46 -0.00 -0.65 -3.39 114.38 112.61 1y4i h ARG 304 Ca 0.38 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.81 1y4i h ARG 304 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.27 1y4i h ARG 304 CO -0.23 0.63 -1.35 0.94 0.00 0.00 0.00 179.97 179.96 1y4i n GLN 305 N -3.37 1.73 -4.51 0.04 7.27 -0.29 -4.98 117.38 113.28 1y4i n GLN 305 Ca 0.01 -0.03 -0.22 0.00 0.07 0.00 0.00 57.00 56.83 1y4i n GLN 305 Cb 0.74 -1.15 -0.14 0.00 2.41 0.00 0.00 30.24 32.10 1y4i n GLN 305 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1y4i s MET 306 N -2.28 1.11 0.17 3.69 0.23 -0.03 -4.59 119.30 117.61 1y4i s MET 306 Ca -0.03 -0.74 0.14 0.00 -1.03 0.00 0.00 55.69 54.04 1y4i s MET 306 Cb 0.03 -1.13 -0.05 0.00 -1.53 0.00 0.00 34.83 32.14 1y4i s MET 306 CO 0.25 0.29 1.20 0.66 -2.03 0.00 0.00 175.02 175.39 1y4i h SER 307 N 5.15 0.00 -5.15 -1.18 4.64 -1.35 -3.41 113.55 112.25 1y4i h SER 307 Ca -0.38 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.80 1y4i h SER 307 Cb 1.17 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.11 1y4i h SER 307 CO 0.45 0.63 -0.68 -0.76 -0.87 0.00 0.00 176.83 175.60 1y4i s LEU 308 N -6.28 2.48 0.00 5.97 1.43 -1.26 -5.07 118.68 115.94 1y4i s LEU 308 Ca 0.01 -0.97 0.12 0.00 -1.03 0.00 0.00 54.13 52.26 1y4i s LEU 308 Cb 0.08 0.16 0.38 0.00 0.03 0.00 0.00 46.19 46.85 1y4i s LEU 308 CO 0.78 -0.56 1.30 -0.81 0.23 0.00 0.00 176.35 177.29 1y4i n PRO 309 N 0.19 1.73 0.00 1.29 -0.04 -1.26 -4.91 135.00 132.00 1y4i n PRO 309 Ca -0.14 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 1y4i n PRO 309 Cb 0.61 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 1y4i n PRO 309 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1y4i n GLY 310 N 1.03 -0.73 0.77 0.55 0.00 -1.26 -4.47 105.19 101.09 1y4i n GLY 310 Ca 0.12 -1.70 0.08 0.00 0.00 0.00 0.00 46.02 44.52 1y4i n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y4i n GLY 311 N -0.81 1.15 3.82 -0.02 0.00 -1.26 -4.28 105.19 103.79 1y4i n GLY 311 Ca 0.00 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 1y4i n GLY 311 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y4i s ILE 312 N -1.23 5.32 -0.02 -0.61 -1.09 -1.26 -1.53 121.20 120.79 1y4i s ILE 312 Ca 0.25 0.45 0.04 0.00 -2.23 0.00 0.00 60.65 59.16 1y4i s ILE 312 Cb 0.15 -3.54 -0.01 0.00 -1.58 0.00 0.00 42.46 37.48 1y4i s ILE 312 CO 0.22 0.54 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.70 1y4i s ILE 313 N -0.58 1.08 0.15 2.92 1.01 -0.09 -4.85 121.20 120.85 1y4i s ILE 313 Ca 0.17 -0.57 0.10 0.00 0.00 0.00 0.00 60.65 60.35 1y4i s ILE 313 Cb -0.13 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 1y4i s ILE 313 CO 0.06 0.31 -0.19 -0.44 0.00 0.00 0.00 174.94 174.68 1y4i s SER 314 N -0.23 3.79 0.12 3.58 0.01 -0.91 0.16 113.70 120.22 1y4i s SER 314 Ca 0.03 -0.67 -0.24 0.00 1.31 0.00 0.00 55.95 56.38 1y4i s SER 314 Cb -0.06 -0.47 0.07 0.00 0.21 0.00 0.00 66.02 65.77 1y4i s SER 314 CO -0.00 0.14 0.63 0.72 0.41 0.00 0.00 173.24 175.14 1y4i s PHE 315 N -1.41 -0.55 -0.15 2.43 -0.12 0.38 -0.69 117.98 117.87 1y4i s PHE 315 Ca 0.20 0.45 -0.03 0.00 -0.05 0.00 0.00 56.93 57.50 1y4i s PHE 315 Cb -0.09 0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 42.81 1y4i s PHE 315 CO 0.11 -0.80 -0.06 -1.21 -0.05 0.00 0.00 175.22 173.21 1y4i s GLU 316 N -3.31 3.58 0.01 1.99 2.02 -0.35 0.25 118.70 122.88 1y4i s GLU 316 Ca -0.01 -0.56 -0.11 0.00 0.02 0.00 0.00 54.97 54.31 1y4i s GLU 316 Cb -0.01 -2.83 -0.05 0.00 0.10 0.00 0.00 34.13 31.34 1y4i s GLU 316 CO -0.09 0.25 0.34 -1.50 0.02 0.00 0.00 175.26 174.28 1y4i s ILE 317 N 0.32 5.17 0.23 -1.63 2.07 -0.21 -1.74 121.20 125.41 1y4i s ILE 317 Ca -0.06 0.51 -0.32 0.00 -1.41 0.00 0.00 60.65 59.38 1y4i s ILE 317 Cb -0.15 -3.62 -0.12 0.00 0.13 0.00 0.00 42.46 38.70 1y4i s ILE 317 CO 0.04 0.46 1.66 0.00 -1.91 0.00 0.00 174.94 175.19 1y4i n ALA 318 N 1.45 2.53 0.00 1.50 0.00 0.72 -3.32 120.51 123.39 1y4i n ALA 318 Ca -0.13 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1y4i n ALA 318 Cb 0.53 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.50 1y4i n ALA 318 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y4i n GLY 319 N 3.35 1.02 7.00 0.00 0.00 -1.26 -4.73 105.19 110.57 1y4i n GLY 319 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1y4i n GLY 319 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y4i n GLY 320 N -1.41 2.29 0.18 -0.02 0.00 -1.21 -3.25 105.19 101.77 1y4i n GLY 320 Ca 0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 1y4i n GLY 320 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1y4i h LEU 321 N 0.00 -0.38 -0.88 0.99 5.85 -1.92 -1.21 115.31 117.76 1y4i h LEU 321 Ca 0.00 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1y4i h LEU 321 Cb 0.00 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1y4i h LEU 321 CO 0.00 -0.20 0.38 -0.08 -0.34 0.00 0.00 178.44 178.20 1y4i h GLU 322 N -0.26 1.19 -0.56 1.25 4.22 -1.89 -0.86 114.58 117.66 1y4i h GLU 322 Ca 0.03 -0.18 -0.06 0.00 0.08 0.00 0.00 59.36 59.23 1y4i h GLU 322 Cb 0.29 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1y4i h GLU 322 CO -0.09 0.92 0.12 0.00 -2.18 0.00 0.00 179.01 177.79 1y4i h ALA 323 N 1.24 0.75 0.05 2.92 0.00 -1.50 -0.57 119.26 122.14 1y4i h ALA 323 Ca 0.28 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1y4i h ALA 323 Cb 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1y4i h ALA 323 CO -0.03 0.46 -0.08 0.78 0.00 0.00 0.00 179.25 180.38 1y4i h GLY 324 N 0.81 -0.13 1.00 0.00 0.00 -0.73 -0.07 103.07 103.95 1y4i h GLY 324 Ca 0.18 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 1y4i h GLY 324 CO 0.00 -0.08 0.29 0.07 0.00 0.00 0.00 176.54 176.82 1y4i h ARG 325 N -0.16 0.89 -0.00 4.80 0.11 -1.10 -1.82 114.38 117.11 1y4i h ARG 325 Ca 0.01 -0.13 0.00 0.00 0.10 0.00 0.00 59.98 59.96 1y4i h ARG 325 Cb 0.17 -0.16 -0.00 0.00 1.11 0.00 0.00 29.97 31.09 1y4i h ARG 325 CO -0.04 0.72 0.00 0.00 0.10 0.00 0.00 179.97 180.75 1y4i h ARG 326 N 0.85 0.00 -0.18 0.08 3.08 -0.86 -1.11 114.38 116.24 1y4i h ARG 326 Ca 0.21 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.31 1y4i h ARG 326 Cb 0.13 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.12 1y4i h ARG 326 CO -0.03 0.01 -0.19 1.98 -1.07 0.00 0.00 179.97 180.67 1y4i h MET 327 N -0.01 -0.21 -0.97 0.04 4.05 -0.91 -1.56 114.93 115.37 1y4i h MET 327 Ca 0.00 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.45 1y4i h MET 327 Cb 0.01 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 30.81 1y4i h MET 327 CO -0.00 -0.14 0.64 0.82 0.23 0.00 0.00 176.91 178.46 1y4i h ILE 328 N -0.22 1.22 0.00 1.77 1.08 -1.25 -1.81 117.51 118.31 1y4i h ILE 328 Ca 0.11 -0.44 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 1y4i h ILE 328 Cb 0.39 -0.17 0.00 0.00 -3.07 0.00 0.00 36.82 33.97 1y4i h ILE 328 CO -0.31 0.23 0.00 0.59 -0.69 0.00 0.00 178.15 177.98 1y4i n ASN 329 N -4.43 0.00 -0.52 1.72 3.02 -0.43 -3.39 115.26 111.23 1y4i n ASN 329 Ca 0.12 0.13 0.06 0.00 -0.03 0.00 0.00 54.58 54.86 1y4i n ASN 329 Cb 0.04 -0.36 0.08 0.00 -0.61 0.00 0.00 39.78 38.93 1y4i n ASN 329 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1y4i n SER 330 N -1.36 2.24 -4.80 6.41 7.64 -0.60 -4.97 113.62 118.18 1y4i n SER 330 Ca 0.09 -1.62 -0.35 0.00 1.01 0.00 0.00 58.87 57.99 1y4i n SER 330 Cb 0.21 -0.07 -0.07 0.00 -1.01 0.00 0.00 64.21 63.28 1y4i n SER 330 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1y4i s VAL 331 N -0.98 4.29 -0.01 0.44 -7.23 -1.07 -4.41 120.40 111.43 1y4i s VAL 331 Ca 0.16 1.68 0.03 0.00 -1.81 0.00 0.00 61.98 62.05 1y4i s VAL 331 Cb 0.10 -3.85 -0.04 0.00 0.56 0.00 0.00 36.38 33.15 1y4i s VAL 331 CO 0.15 -0.04 0.06 -0.62 -0.31 0.00 0.00 175.10 174.34 1y4i n GLU 332 N 0.09 0.64 -0.05 4.82 1.02 -1.26 -4.86 120.64 121.03 1y4i n GLU 332 Ca 0.04 -0.02 -0.09 0.00 -0.02 0.00 0.00 57.16 57.06 1y4i n GLU 332 Cb 0.52 -1.07 -0.04 0.00 -0.02 0.00 0.00 31.44 30.83 1y4i n GLU 332 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1y4i n LEU 333 N -1.68 1.43 -4.76 -4.62 7.94 -1.26 -4.99 117.00 109.06 1y4i n LEU 333 Ca -0.01 0.07 -0.39 0.00 -1.11 0.00 0.00 56.01 54.57 1y4i n LEU 333 Cb 0.16 -0.31 0.03 0.00 0.53 0.00 0.00 43.42 43.83 1y4i n LEU 333 CO 0.06 0.35 1.03 0.00 -1.11 0.00 0.00 177.39 177.72 1y4i s LEU 335 N -3.19 3.25 -0.25 0.00 1.43 -0.55 -4.90 118.68 114.47 1y4i s LEU 335 Ca 0.67 -0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 53.45 1y4i s LEU 335 Cb -0.42 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.07 1y4i s LEU 335 CO 0.52 0.30 1.14 -0.76 0.23 0.00 0.00 176.35 177.78 1y4i s LEU 336 N -0.43 4.04 0.17 1.79 1.43 -1.26 -0.92 118.68 123.49 1y4i s LEU 336 Ca 0.07 1.34 -0.23 0.00 -1.03 0.00 0.00 54.13 54.28 1y4i s LEU 336 Cb -0.12 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.63 1y4i s LEU 336 CO 0.02 -0.81 0.61 0.00 0.23 0.00 0.00 176.35 176.40 1y4i s ALA 337 N 3.56 -1.58 -0.33 4.21 0.00 -0.92 -4.95 121.76 121.74 1y4i s ALA 337 Ca 0.49 0.45 0.23 0.00 0.00 0.00 0.00 51.96 53.12 1y4i s ALA 337 Cb -0.16 0.89 0.09 0.00 0.00 0.00 0.00 23.12 23.94 1y4i s ALA 337 CO 0.13 -0.78 1.15 -0.39 0.00 0.00 0.00 175.76 175.86 1y4i h VAL 338 N 2.00 0.00 -4.05 0.00 -1.51 -1.94 -3.40 116.25 107.35 1y4i h VAL 338 Ca -0.33 -0.90 -0.45 0.00 -1.23 0.00 0.00 66.70 63.79 1y4i h VAL 338 Cb 1.31 1.46 0.16 0.00 -2.13 0.00 0.00 31.29 32.09 1y4i h VAL 338 CO 0.37 0.00 0.41 -0.55 -1.23 0.00 0.00 177.57 176.57 1y4i s SER 339 N -5.23 3.12 0.24 4.19 0.15 -1.26 -5.10 113.70 109.81 1y4i s SER 339 Ca 0.01 0.33 -0.07 0.00 0.70 0.00 0.00 55.95 56.93 1y4i s SER 339 Cb 0.10 -0.42 -0.02 0.00 -1.71 0.00 0.00 66.02 63.97 1y4i s SER 339 CO 0.77 -2.74 0.35 -0.76 1.20 0.00 0.00 173.24 172.06 1y4i s LEU 340 N -5.92 0.73 -0.15 3.45 2.01 -1.26 -4.90 118.68 112.64 1y4i s LEU 340 Ca 0.73 -1.18 0.00 0.00 0.01 0.00 0.00 54.13 53.69 1y4i s LEU 340 Cb -0.05 1.20 0.00 0.00 0.01 0.00 0.00 46.19 47.35 1y4i s LEU 340 CO 0.53 -1.05 0.00 0.61 1.01 0.00 0.00 176.35 177.45 1y4i n GLY 341 N -0.37 0.42 4.00 -3.19 0.00 -1.26 -4.60 105.19 100.19 1y4i n GLY 341 Ca 0.00 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 1y4i n GLY 341 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1y4i s ASP 342 N -2.96 5.01 0.17 1.61 1.11 -1.26 -3.76 116.67 116.59 1y4i s ASP 342 Ca 0.00 -0.33 0.01 0.00 0.18 0.00 0.00 52.55 52.41 1y4i s ASP 342 Cb 0.00 -0.36 0.04 0.00 1.07 0.00 0.00 42.92 43.67 1y4i s ASP 342 CO 0.00 -1.35 1.41 0.71 1.18 0.00 0.00 175.17 177.12 1y4i h THR 343 N -0.02 1.45 -3.93 -1.27 1.35 -1.81 -3.42 112.91 105.26 1y4i h THR 343 Ca -0.38 -2.41 -0.46 0.00 -0.55 0.00 0.00 66.41 62.60 1y4i h THR 343 Cb 1.28 2.33 -0.02 0.00 -1.73 0.00 0.00 68.15 70.01 1y4i h THR 343 CO 0.45 0.71 0.24 -1.61 -0.25 0.00 0.00 175.52 175.06 1y4i s GLU 344 N -3.37 4.11 -0.00 4.72 8.01 -1.26 -0.05 118.70 130.85 1y4i s GLU 344 Ca -0.04 0.91 -0.30 0.00 0.01 0.00 0.00 54.97 55.55 1y4i s GLU 344 Cb 0.10 -2.28 -0.04 0.00 -4.31 0.00 0.00 34.13 27.60 1y4i s GLU 344 CO 0.83 0.02 1.17 0.99 0.01 0.00 0.00 175.26 178.29 1y4i s THR 345 N -2.14 4.24 0.01 3.63 2.01 -1.26 -4.28 115.64 117.85 1y4i s THR 345 Ca 0.58 1.59 0.08 0.00 0.31 0.00 0.00 61.69 64.25 1y4i s THR 345 Cb -0.10 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 1y4i s THR 345 CO 0.17 0.06 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.17 1y4i s LEU 346 N 1.61 2.11 0.06 4.42 1.43 -0.51 -1.48 118.68 126.33 1y4i s LEU 346 Ca 0.57 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 53.22 1y4i s LEU 346 Cb -0.26 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 1y4i s LEU 346 CO 0.25 0.24 -0.11 -0.51 0.23 0.00 0.00 176.35 176.45 1y4i s ILE 347 N -0.67 0.86 0.00 -0.59 2.07 -0.10 -0.11 121.20 122.67 1y4i s ILE 347 Ca 0.09 -1.27 -0.19 0.00 -1.41 0.00 0.00 60.65 57.87 1y4i s ILE 347 Cb -0.09 -0.93 0.04 0.00 0.13 0.00 0.00 42.46 41.60 1y4i s ILE 347 CO 0.01 -0.34 0.42 0.00 -1.91 0.00 0.00 174.94 173.12 1y4i s GLN 348 N -1.84 0.84 -0.38 3.50 -2.07 -0.52 -2.18 119.66 117.01 1y4i s GLN 348 Ca -0.04 -0.17 0.04 0.00 -1.82 0.00 0.00 55.36 53.37 1y4i s GLN 348 Cb -0.09 0.38 0.11 0.00 -1.09 0.00 0.00 33.01 32.32 1y4i s GLN 348 CO 0.01 -0.26 0.10 -1.58 -1.32 0.00 0.00 175.29 172.24 1y4i s HIS 349 N -1.73 3.63 0.15 9.60 2.46 -1.26 -1.09 115.29 127.04 1y4i s HIS 349 Ca -0.10 -3.04 -0.18 0.00 0.47 0.00 0.00 55.06 52.21 1y4i s HIS 349 Cb -0.03 -2.90 0.04 0.00 -0.13 0.00 0.00 32.58 29.57 1y4i s HIS 349 CO 0.03 -0.90 1.71 -1.35 -2.47 0.00 0.00 174.74 171.76 1y4i h PRO 350 N 7.35 0.09 0.00 2.88 0.11 -1.94 0.21 132.00 140.70 1y4i h PRO 350 Ca -0.05 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1y4i h PRO 350 Cb 0.99 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1y4i h PRO 350 CO 0.56 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.41 1y4i n ALA 351 N -2.46 1.30 -0.04 -0.75 0.00 -1.26 -1.11 120.51 116.20 1y4i n ALA 351 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.50 1y4i n ALA 351 Cb 0.16 -1.20 -0.11 0.00 0.00 0.00 0.00 19.45 18.30 1y4i n ALA 351 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1y4i n SER 352 N -1.80 1.57 0.00 0.00 2.88 -0.47 -4.58 113.62 111.22 1y4i n SER 352 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1y4i n SER 352 Cb 0.09 1.29 0.00 0.00 -0.75 0.00 0.00 64.21 64.84 1y4i n SER 352 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1y4i n MET 353 N -2.26 0.00 0.00 -1.46 2.81 0.62 -4.82 117.12 112.01 1y4i n MET 353 Ca -0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 1y4i n MET 353 Cb 0.66 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.17 1y4i n MET 353 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1y4i n THR 354 N -0.60 0.00 -2.44 2.03 -2.24 -1.01 -2.98 114.28 107.05 1y4i n THR 354 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1y4i n THR 354 Cb 0.00 -0.30 0.01 0.00 -2.10 0.00 0.00 70.33 67.94 1y4i n THR 354 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1y4i n HIS 355 N -0.44 -0.04 0.02 4.78 8.25 -0.26 -4.97 115.22 122.55 1y4i n HIS 355 Ca 0.00 -0.95 -0.04 0.00 -0.26 0.00 0.00 57.72 56.48 1y4i n HIS 355 Cb 0.01 0.24 0.20 0.00 1.12 0.00 0.00 29.99 31.56 1y4i n HIS 355 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1y4i h SER 356 N 1.00 0.48 -0.12 0.41 0.02 -1.75 -3.28 113.55 110.31 1y4i h SER 356 Ca -0.34 -0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 60.37 1y4i h SER 356 Cb 1.57 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.98 1y4i h SER 356 CO -0.04 0.74 -0.23 -0.65 -1.14 0.00 0.00 176.83 175.52 1y4i h PRO 357 N 0.42 0.37 -5.25 3.45 0.10 -1.93 -3.43 132.00 125.73 1y4i h PRO 357 Ca 0.06 -0.23 -0.07 0.00 0.10 0.00 0.00 66.00 65.85 1y4i h PRO 357 Cb 0.68 0.03 -0.02 0.00 0.10 0.00 0.00 31.00 31.78 1y4i h PRO 357 CO 0.05 0.83 0.44 0.28 0.10 0.00 0.00 178.00 179.69 1y4i n VAL 358 N -4.48 0.00 -0.90 3.15 0.31 -1.24 -4.92 118.33 110.25 1y4i n VAL 358 Ca -0.07 -0.47 -0.33 0.00 -0.01 0.00 0.00 64.34 63.47 1y4i n VAL 358 Cb 0.43 -1.55 0.04 0.00 -0.91 0.00 0.00 33.84 31.84 1y4i n VAL 358 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1y4i n ALA 359 N 15.92 -5.23 0.30 3.52 0.00 -1.26 -4.20 120.51 129.56 1y4i n ALA 359 Ca 0.50 -0.69 0.09 0.00 0.00 0.00 0.00 53.44 53.35 1y4i n ALA 359 Cb 0.37 -1.00 0.43 0.00 0.00 0.00 0.00 19.45 19.26 1y4i n ALA 359 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1y4i h PRO 360 N -0.90 0.00 0.13 0.00 0.11 -1.95 -2.60 132.00 126.79 1y4i h PRO 360 Ca -0.39 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.52 1y4i h PRO 360 Cb 1.18 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.31 1y4i h PRO 360 CO 0.21 0.00 -0.92 1.49 -0.21 0.00 0.00 178.00 178.57 1y4i h GLU 361 N 0.00 0.28 0.00 1.05 4.57 -2.01 -3.34 114.58 115.14 1y4i h GLU 361 Ca 0.03 -0.49 -0.18 0.00 -1.18 0.00 0.00 59.36 57.54 1y4i h GLU 361 Cb 1.39 0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 30.15 1y4i h GLU 361 CO -0.00 1.23 -0.84 0.93 -1.18 0.00 0.00 179.01 179.15 1y4i h GLU 362 N -0.37 0.11 0.02 1.92 4.39 -1.75 -2.95 114.58 115.95 1y4i h GLU 362 Ca -0.17 -0.12 -0.16 0.00 0.34 0.00 0.00 59.36 59.25 1y4i h GLU 362 Cb 1.65 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 30.35 1y4i h GLU 362 CO 0.13 0.88 -0.62 0.07 -1.16 0.00 0.00 179.01 178.31 1y4i h ARG 363 N 0.06 0.38 -0.84 2.33 0.11 -1.69 -2.84 114.38 111.89 1y4i h ARG 363 Ca -0.03 -0.44 -0.01 0.00 0.10 0.00 0.00 59.98 59.61 1y4i h ARG 363 Cb 1.46 0.13 -0.04 0.00 1.11 0.00 0.00 29.97 32.63 1y4i h ARG 363 CO 0.12 1.12 0.49 -0.07 0.10 0.00 0.00 179.97 181.73 1y4i h LEU 364 N -0.16 1.02 -0.51 0.08 3.38 -1.54 -1.03 115.31 116.54 1y4i h LEU 364 Ca -0.08 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 57.89 1y4i h LEU 364 Cb 1.35 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.78 1y4i h LEU 364 CO 0.12 0.80 0.17 0.50 0.09 0.00 0.00 178.44 180.11 1y4i h LYS 365 N 1.15 0.32 -0.21 1.13 1.63 -1.59 -2.34 116.57 116.67 1y4i h LYS 365 Ca 0.30 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 1y4i h LYS 365 Cb -0.02 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.53 1y4i h LYS 365 CO -0.05 0.21 0.00 0.00 -3.45 0.00 0.00 179.45 176.16 1y4i n ALA 366 N -2.45 1.99 -0.69 5.00 0.00 -0.56 -4.78 120.51 119.02 1y4i n ALA 366 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1y4i n ALA 366 Cb 0.22 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1y4i n ALA 366 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y4i n GLY 367 N 0.12 1.08 3.47 0.00 0.00 -0.88 -4.94 105.19 104.04 1y4i n GLY 367 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1y4i n GLY 367 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y4i s ILE 368 N -3.48 4.96 0.51 -0.61 1.09 -0.50 -4.87 121.20 118.30 1y4i s ILE 368 Ca 0.00 -0.38 -0.04 0.00 -1.10 0.00 0.00 60.65 59.13 1y4i s ILE 368 Cb 0.00 -4.19 -0.02 0.00 -1.06 0.00 0.00 42.46 37.20 1y4i s ILE 368 CO 0.00 -0.63 0.80 0.42 -0.10 0.00 0.00 174.94 175.43 1y4i s THR 369 N 2.44 4.35 0.48 2.92 -4.23 -1.26 -2.09 115.64 118.25 1y4i s THR 369 Ca 0.15 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.83 1y4i s THR 369 Cb -0.18 -3.67 0.24 0.00 1.34 0.00 0.00 72.50 70.23 1y4i s THR 369 CO 0.13 -0.63 2.08 0.44 -0.54 0.00 0.00 174.62 176.10 1y4i h ASP 370 N 0.13 0.00 -0.41 3.99 5.19 -1.97 -2.55 116.42 120.80 1y4i h ASP 370 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1y4i h ASP 370 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1y4i h ASP 370 CO 0.61 0.09 0.00 0.61 -3.12 0.00 0.00 179.24 177.43 1y4i n GLY 371 N -1.21 1.79 3.68 2.75 0.00 -1.26 -3.34 105.19 107.60 1y4i n GLY 371 Ca -0.03 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1y4i n GLY 371 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1y4i s LEU 372 N -1.46 4.30 -0.08 0.99 2.96 -0.96 -1.05 118.68 123.38 1y4i s LEU 372 Ca 0.40 2.03 0.03 0.00 -0.22 0.00 0.00 54.13 56.36 1y4i s LEU 372 Cb 0.23 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.35 1y4i s LEU 372 CO 0.32 -0.71 -0.16 -0.63 -1.32 0.00 0.00 176.35 173.85 1y4i s ILE 373 N 2.53 2.83 -0.14 6.68 -1.09 0.14 -4.07 121.20 128.09 1y4i s ILE 373 Ca 0.62 -0.78 -0.02 0.00 -2.23 0.00 0.00 60.65 58.24 1y4i s ILE 373 Cb -0.29 -2.12 -0.02 0.00 -1.58 0.00 0.00 42.46 38.44 1y4i s ILE 373 CO 0.25 0.56 -0.07 -0.60 -1.23 0.00 0.00 174.94 173.85 1y4i s ARG 374 N -0.25 3.48 -0.16 2.79 3.52 -0.25 -0.47 118.95 127.61 1y4i s ARG 374 Ca 0.01 -0.57 0.01 0.00 -0.13 0.00 0.00 55.73 55.04 1y4i s ARG 374 Cb -0.13 -2.79 0.02 0.00 -1.56 0.00 0.00 34.95 30.49 1y4i s ARG 374 CO 0.03 0.28 -0.18 -1.17 -0.81 0.00 0.00 175.30 173.45 1y4i s LEU 375 N 0.22 1.99 -0.47 -0.88 2.96 0.12 -1.44 118.68 121.18 1y4i s LEU 375 Ca -0.04 -0.59 -0.20 0.00 -0.22 0.00 0.00 54.13 53.07 1y4i s LEU 375 Cb -0.14 -1.38 0.04 0.00 0.50 0.00 0.00 46.19 45.20 1y4i s LEU 375 CO 0.04 -0.01 0.65 -0.55 -1.32 0.00 0.00 176.35 175.16 1y4i s SER 376 N 1.28 6.28 -0.13 3.68 0.15 0.85 -0.91 113.70 124.90 1y4i s SER 376 Ca 0.03 -0.56 -0.29 0.00 0.70 0.00 0.00 55.95 55.82 1y4i s SER 376 Cb -0.13 -2.31 -0.01 0.00 -1.71 0.00 0.00 66.02 61.86 1y4i s SER 376 CO -0.11 -0.84 1.03 -0.69 1.20 0.00 0.00 173.24 173.83 1y4i s VAL 377 N 2.80 4.72 0.00 4.45 1.01 -0.58 -1.42 120.40 131.37 1y4i s VAL 377 Ca 0.20 2.00 0.00 0.00 0.00 0.00 0.00 61.98 64.18 1y4i s VAL 377 Cb -0.16 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.93 1y4i s VAL 377 CO 0.16 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.84 1y4i n GLY 378 N 3.16 1.48 0.89 4.51 0.00 -1.26 -4.76 105.19 109.21 1y4i n GLY 378 Ca 0.10 -1.81 0.08 0.00 0.00 0.00 0.00 46.02 44.39 1y4i n GLY 378 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1y4i n LEU 379 N 0.00 3.20 -4.57 0.99 4.77 0.92 -4.58 117.00 117.74 1y4i n LEU 379 Ca 0.00 -1.86 -0.28 0.00 -0.03 0.00 0.00 56.01 53.84 1y4i n LEU 379 Cb 0.00 -0.29 0.22 0.00 -2.33 0.00 0.00 43.42 41.02 1y4i n LEU 379 CO 0.00 0.78 0.57 -1.61 -1.33 0.00 0.00 177.39 175.80 1y4i s GLU 380 N -1.05 -0.49 0.12 3.23 8.01 -1.26 -4.92 118.70 122.35 1y4i s GLU 380 Ca 0.31 0.59 -0.31 0.00 0.01 0.00 0.00 54.97 55.57 1y4i s GLU 380 Cb 0.17 -1.62 -0.09 0.00 -4.31 0.00 0.00 34.13 28.27 1y4i s GLU 380 CO 0.22 -3.37 1.64 -0.51 0.01 0.00 0.00 175.26 173.26 1y4i s ASP 381 N -3.04 6.56 0.47 -0.19 1.01 -1.26 -4.88 116.67 115.35 1y4i s ASP 381 Ca 0.67 2.59 0.13 0.00 0.71 0.00 0.00 52.55 56.66 1y4i s ASP 381 Cb -0.21 -2.58 1.10 0.00 1.01 0.00 0.00 42.92 42.24 1y4i s ASP 381 CO 0.61 -0.88 2.08 1.55 0.21 0.00 0.00 175.17 178.75 1y4i h PRO 382 N 7.62 0.12 0.00 8.23 0.13 -1.93 0.52 132.00 146.70 1y4i h PRO 382 Ca -0.43 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.61 1y4i h PRO 382 Cb 1.20 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1y4i h PRO 382 CO 0.93 0.13 -0.37 1.05 -0.23 0.00 0.00 178.00 179.51 1y4i h GLU 383 N 0.13 0.00 -0.51 0.86 9.09 -1.98 0.39 114.58 122.55 1y4i h GLU 383 Ca 0.03 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.33 1y4i h GLU 383 Cb 0.08 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.16 1y4i h GLU 383 CO 0.00 0.37 -0.12 -0.44 0.05 0.00 0.00 179.01 178.87 1y4i h ASP 384 N 0.00 0.99 -0.33 3.06 3.32 -1.29 -0.46 116.42 121.72 1y4i h ASP 384 Ca -0.00 -0.36 -0.05 0.00 0.02 0.00 0.00 57.03 56.64 1y4i h ASP 384 Cb 0.67 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1y4i h ASP 384 CO 0.05 1.12 0.01 0.40 -1.72 0.00 0.00 179.24 179.10 1y4i h ILE 385 N 0.85 1.25 -0.69 0.35 2.04 -1.00 -0.89 117.51 119.43 1y4i h ILE 385 Ca 0.13 -0.93 -0.05 0.00 1.00 0.00 0.00 64.86 65.01 1y4i h ILE 385 Cb 0.68 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1y4i h ILE 385 CO 0.05 0.31 0.23 0.40 0.00 0.00 0.00 178.15 179.13 1y4i h ILE 386 N 0.38 1.25 -0.75 -0.67 2.04 -0.92 -0.07 117.51 118.77 1y4i h ILE 386 Ca 0.09 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.07 1y4i h ILE 386 Cb 0.43 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1y4i h ILE 386 CO 0.01 0.33 0.34 0.78 0.00 0.00 0.00 178.15 179.62 1y4i h ASN 387 N 1.00 1.00 -0.26 1.72 2.35 -0.94 0.38 115.58 120.82 1y4i h ASN 387 Ca 0.22 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1y4i h ASN 387 Cb 0.28 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1y4i h ASN 387 CO -0.01 0.87 0.08 -0.78 -1.65 0.00 0.00 177.43 175.94 1y4i h ASP 388 N 1.06 0.38 -0.42 5.81 3.58 -0.79 -1.68 116.42 124.37 1y4i h ASP 388 Ca 0.26 -0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 1y4i h ASP 388 Cb 0.15 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 1y4i h ASP 388 CO -0.03 0.48 0.17 -0.07 -2.88 0.00 0.00 179.24 176.91 1y4i h LEU 389 N 0.26 0.57 -0.36 2.28 3.38 -0.63 -1.24 115.31 119.59 1y4i h LEU 389 Ca 0.09 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1y4i h LEU 389 Cb 0.23 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1y4i h LEU 389 CO -0.00 0.58 0.23 -0.08 0.09 0.00 0.00 178.44 179.26 1y4i h GLU 390 N 0.53 0.45 0.07 1.13 4.22 -0.20 0.15 114.58 120.93 1y4i h GLU 390 Ca 0.14 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.55 1y4i h GLU 390 Cb 0.19 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1y4i h GLU 390 CO -0.01 0.30 -0.06 1.25 -2.18 0.00 0.00 179.01 178.31 1y4i h HIS 391 N 0.46 -0.15 -0.36 0.92 2.76 -1.19 -1.09 115.15 116.51 1y4i h HIS 391 Ca 0.13 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.26 1y4i h HIS 391 Cb -0.03 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 1y4i h HIS 391 CO -0.06 -0.09 0.04 0.00 -1.30 0.00 0.00 177.93 176.52 1y4i h ALA 392 N 0.80 0.48 0.39 5.26 0.00 -1.00 -2.10 119.26 123.08 1y4i h ALA 392 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1y4i h ALA 392 Cb 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1y4i h ALA 392 CO -0.01 0.20 -0.19 0.82 0.00 0.00 0.00 179.25 180.08 1y4i h ILE 393 N 0.43 0.62 -0.45 0.00 2.04 -0.66 0.65 117.51 120.15 1y4i h ILE 393 Ca 0.11 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 66.05 1y4i h ILE 393 Cb 0.39 0.63 -0.09 0.00 -0.74 0.00 0.00 36.82 37.01 1y4i h ILE 393 CO 0.01 0.00 -0.14 -0.09 0.00 0.00 0.00 178.15 177.93 1y4i h ARG 394 N -0.52 -0.04 -0.70 2.37 2.43 -1.22 0.26 114.38 116.96 1y4i h ARG 394 Ca -0.05 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.17 1y4i h ARG 394 Cb 0.40 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 1y4i h ARG 394 CO 0.09 -0.03 0.41 0.87 -1.51 0.00 0.00 179.97 179.80 1y4i h LYS 395 N -0.04 0.74 0.00 0.20 1.57 -1.19 -1.15 116.57 116.69 1y4i h LYS 395 Ca 0.22 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1y4i h LYS 395 Cb 0.37 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1y4i h LYS 395 CO -0.49 0.49 -0.06 0.00 -0.57 0.00 0.00 179.45 178.82 1y4i h ALA 396 N 1.34 0.99 0.00 3.86 0.00 0.60 -3.33 119.26 122.72 1y4i h ALA 396 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1y4i h ALA 396 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1y4i h ALA 396 CO -0.16 0.07 -0.03 0.25 0.00 0.00 0.00 179.25 179.38 1y4i n THR 397 N -3.15 0.00 1.24 0.00 -2.24 -0.06 -4.66 114.28 105.40 1y4i n THR 397 Ca 0.01 -0.42 0.10 0.00 -2.27 0.00 0.00 64.05 61.47 1y4i n THR 397 Cb 0.39 0.98 0.59 0.00 -2.10 0.00 0.00 70.33 70.19 1y4i n THR 397 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83