#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r1n s ILE 2 N 0.00 2.82 -0.13 0.53 -4.36 -1.21 -4.92 121.20 113.93 1r1n s ILE 2 Ca 0.00 -1.92 -0.02 0.00 -0.26 0.00 0.00 60.65 58.45 1r1n s ILE 2 Cb 0.00 -2.82 -0.02 0.00 1.25 0.00 0.00 42.46 40.86 1r1n s ILE 2 CO 0.00 -0.23 -0.08 -0.89 0.24 0.00 0.00 174.94 173.99 1r1n s THR 3 N -2.47 3.54 -0.16 8.37 2.01 -1.26 -1.98 115.64 123.68 1r1n s THR 3 Ca 0.35 -0.50 -0.00 0.00 0.31 0.00 0.00 61.69 61.85 1r1n s THR 3 Cb -0.02 -2.51 0.04 0.00 0.01 0.00 0.00 72.50 70.02 1r1n s THR 3 CO 0.20 0.52 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.89 1r1n s VAL 4 N 0.16 1.22 -0.54 3.82 1.01 0.40 -0.17 120.40 126.30 1r1n s VAL 4 Ca -0.04 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.01 1r1n s VAL 4 Cb -0.14 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.92 1r1n s VAL 4 CO 0.04 0.20 1.28 -0.31 0.00 0.00 0.00 175.10 176.30 1r1n s TYR 5 N 1.59 2.51 -0.21 5.22 1.51 -0.78 -1.48 117.35 125.72 1r1n s TYR 5 Ca 0.01 0.50 -0.10 0.00 -1.01 0.00 0.00 57.07 56.47 1r1n s TYR 5 Cb -0.15 -4.45 -0.05 0.00 -0.11 0.00 0.00 41.96 37.20 1r1n s TYR 5 CO -0.08 -1.71 0.13 1.21 -1.11 0.00 0.00 175.55 174.00 1r1n s ASN 6 N 3.44 6.18 -0.19 2.29 2.47 0.31 -1.16 114.94 128.27 1r1n s ASN 6 Ca 0.48 0.20 0.02 0.00 0.42 0.00 0.00 52.86 53.99 1r1n s ASN 6 Cb -0.09 -2.09 -0.13 0.00 -1.45 0.00 0.00 41.25 37.49 1r1n s ASN 6 CO 0.27 0.16 -0.16 0.61 -3.72 0.00 0.00 177.10 174.26 1r1n n GLY 7 N 3.66 -0.28 3.47 1.21 0.00 0.15 -1.45 105.19 111.95 1r1n n GLY 7 Ca -0.16 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 1r1n n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1r1n n GLN 8 N -3.03 -0.63 -1.60 1.61 -0.06 -1.20 -4.66 117.38 107.81 1r1n n GLN 8 Ca -0.33 -0.14 -0.51 0.00 -2.00 0.00 0.00 57.00 54.02 1r1n n GLN 8 Cb 0.86 -2.01 -0.06 0.00 -4.06 0.00 0.00 30.24 24.98 1r1n n GLN 8 CO 0.00 0.00 0.00 1.58 -0.20 0.00 0.00 177.06 178.44 1r1n n HIS 9 N -3.97 1.56 -0.04 3.69 -0.00 -1.26 -4.75 115.22 110.45 1r1n n HIS 9 Ca 0.07 0.61 -0.10 0.00 -0.00 0.00 0.00 57.72 58.30 1r1n n HIS 9 Cb 0.54 -2.35 -0.07 0.00 -0.00 0.00 0.00 29.99 28.12 1r1n n HIS 9 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 1r1n h LYS 10 N 4.61 -0.35 -1.01 1.57 1.57 -1.97 -0.32 116.57 120.68 1r1n h LYS 10 Ca -0.47 0.02 0.24 0.00 -1.87 0.00 0.00 60.65 58.57 1r1n h LYS 10 Cb 1.33 0.08 -0.12 0.00 0.08 0.00 0.00 32.23 33.60 1r1n h LYS 10 CO 0.78 -0.23 0.61 1.49 -0.57 0.00 0.00 179.45 181.53 1r1n h GLU 11 N -0.36 0.56 0.28 3.15 4.81 -1.97 1.00 114.58 122.05 1r1n h GLU 11 Ca 0.03 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1r1n h GLU 11 Cb 0.45 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1r1n h GLU 11 CO -0.34 0.37 -0.14 0.00 -0.73 0.00 0.00 179.01 178.17 1r1n h ALA 12 N 1.70 -0.38 -0.03 2.92 0.00 -1.74 -1.60 119.26 120.13 1r1n h ALA 12 Ca 0.62 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 1r1n h ALA 12 Cb 1.23 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1r1n h ALA 12 CO -0.42 -0.50 -0.20 0.00 0.00 0.00 0.00 179.25 178.12 1r1n h ALA 13 N -0.30 1.61 0.78 0.00 0.00 -0.37 -2.14 119.26 118.84 1r1n h ALA 13 Ca -0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1r1n h ALA 13 Cb 0.51 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1r1n h ALA 13 CO 0.06 0.29 -0.37 0.37 0.00 0.00 0.00 179.25 179.60 1r1n h GLN 14 N 0.05 -1.01 -0.77 0.00 4.15 0.11 0.12 115.11 117.75 1r1n h GLN 14 Ca 0.01 0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.46 1r1n h GLN 14 Cb 0.39 0.23 -0.04 0.00 0.21 0.00 0.00 27.48 28.27 1r1n h GLN 14 CO 0.03 -0.66 0.34 0.00 -1.93 0.00 0.00 178.83 176.61 1r1n h ALA 15 N -0.96 1.14 0.00 3.38 0.00 -1.22 -1.35 119.26 120.25 1r1n h ALA 15 Ca -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1r1n h ALA 15 Cb 0.81 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1r1n h ALA 15 CO 0.18 0.63 0.00 0.28 0.00 0.00 0.00 179.25 180.34 1r1n h VAL 16 N 1.11 0.00 0.11 0.00 2.07 -1.34 0.11 116.25 118.30 1r1n h VAL 16 Ca 0.26 -0.45 -0.16 0.00 0.82 0.00 0.00 66.70 67.17 1r1n h VAL 16 Cb 0.16 1.35 0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1r1n h VAL 16 CO -0.03 0.00 -0.70 0.00 0.02 0.00 0.00 177.57 176.86 1r1n h ALA 17 N 2.17 -0.06 -0.42 1.67 0.00 0.29 -2.92 119.26 120.00 1r1n h ALA 17 Ca 0.00 -0.66 -0.07 0.00 0.00 0.00 0.00 54.91 54.18 1r1n h ALA 17 Cb 0.54 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1r1n h ALA 17 CO 0.00 0.33 -0.03 -0.44 0.00 0.00 0.00 179.25 179.11 1r1n h ASP 18 N -0.39 0.66 0.04 0.00 3.32 -1.02 0.52 116.42 119.55 1r1n h ASP 18 Ca -0.12 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 1r1n h ASP 18 Cb 1.53 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.90 1r1n h ASP 18 CO 0.13 0.76 -0.02 0.00 -1.72 0.00 0.00 179.24 178.39 1r1n h ALA 19 N 1.32 1.54 0.00 3.45 0.00 -0.99 0.50 119.26 125.07 1r1n h ALA 19 Ca 0.13 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1r1n h ALA 19 Cb 0.45 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1r1n h ALA 19 CO 0.02 0.02 -1.11 0.34 0.00 0.00 0.00 179.25 178.52 1r1n n PHE 20 N -3.88 0.87 -0.33 0.00 7.35 -0.62 -3.12 117.46 117.72 1r1n n PHE 20 Ca -0.03 0.38 0.19 0.00 -0.76 0.00 0.00 57.45 57.23 1r1n n PHE 20 Cb 0.10 -0.96 0.40 0.00 0.35 0.00 0.00 39.48 39.36 1r1n n PHE 20 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1r1n h THR 21 N -1.00 0.40 0.16 -2.13 2.02 0.43 0.57 112.91 113.36 1r1n h THR 21 Ca -0.25 -0.13 -0.23 0.00 0.77 0.00 0.00 66.41 66.56 1r1n h THR 21 Cb 1.06 -0.03 0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1r1n h THR 21 CO -0.15 0.07 -1.04 0.03 0.37 0.00 0.00 175.52 174.80 1r1n h ARG 22 N 0.39 0.33 0.00 6.66 3.08 -0.20 0.19 114.38 124.83 1r1n h ARG 22 Ca 0.66 -0.57 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1r1n h ARG 22 Cb 1.37 0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.63 1r1n h ARG 22 CO -0.56 1.27 0.00 0.00 -1.07 0.00 0.00 179.97 179.61 1r1n n ALA 23 N -2.73 1.81 0.00 0.04 0.00 -0.64 -4.20 120.51 114.79 1r1n n ALA 23 Ca -0.16 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1r1n n ALA 23 Cb 0.89 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1r1n n ALA 23 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1r1n n THR 24 N -1.32 0.00 0.00 0.00 -2.24 0.10 -5.03 114.28 105.79 1r1n n THR 24 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1r1n n THR 24 Cb 0.13 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 1r1n n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r1n n GLY 25 N 1.90 1.17 2.62 3.38 0.00 0.67 -5.02 105.19 109.91 1r1n n GLY 25 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1r1n n GLY 25 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1r1n n ILE 26 N -1.76 2.72 -1.49 -0.61 5.41 -1.23 -4.80 119.36 117.60 1r1n n ILE 26 Ca 0.00 -5.26 -0.39 0.00 1.00 0.00 0.00 62.75 58.10 1r1n n ILE 26 Cb 0.00 -2.13 0.03 0.00 -0.71 0.00 0.00 39.64 36.83 1r1n n ILE 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1r1n n LYS 27 N 1.18 0.60 -4.62 0.38 4.81 -1.26 -4.27 118.16 114.98 1r1n n LYS 27 Ca 0.27 0.23 -0.31 0.00 -0.87 0.00 0.00 58.31 57.64 1r1n n LYS 27 Cb 0.39 -1.75 -0.13 0.00 0.02 0.00 0.00 35.03 33.57 1r1n n LYS 27 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1r1n s VAL 28 N -1.65 2.77 -0.22 3.15 1.01 -1.26 -3.30 120.40 120.90 1r1n s VAL 28 Ca 0.69 -1.24 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 1r1n s VAL 28 Cb -0.46 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 1r1n s VAL 28 CO 0.54 0.30 0.15 -0.75 0.00 0.00 0.00 175.10 175.34 1r1n s LYS 29 N -1.53 4.13 -0.41 2.72 2.47 -0.84 -5.00 119.74 121.27 1r1n s LYS 29 Ca 0.15 -0.24 -0.08 0.00 -1.56 0.00 0.00 55.97 54.24 1r1n s LYS 29 Cb -0.10 -3.48 0.08 0.00 -1.46 0.00 0.00 37.83 32.87 1r1n s LYS 29 CO 0.06 0.17 0.24 -0.51 0.16 0.00 0.00 175.35 175.47 1r1n s LEU 30 N 0.73 5.12 -0.48 5.43 1.43 -1.26 -0.45 118.68 129.18 1r1n s LEU 30 Ca 0.08 -1.58 -0.13 0.00 -1.03 0.00 0.00 54.13 51.47 1r1n s LEU 30 Cb -0.12 -1.95 0.10 0.00 0.03 0.00 0.00 46.19 44.25 1r1n s LEU 30 CO 0.01 -0.53 0.40 0.21 0.23 0.00 0.00 176.35 176.67 1r1n s ASN 31 N 2.06 5.99 -0.09 2.29 3.84 -0.55 -4.95 114.94 123.54 1r1n s ASN 31 Ca 0.03 -1.61 -0.06 0.00 0.21 0.00 0.00 52.86 51.43 1r1n s ASN 31 Cb -0.23 -2.13 -0.04 0.00 -0.55 0.00 0.00 41.25 38.30 1r1n s ASN 31 CO 0.01 -0.71 0.15 -0.44 -2.79 0.00 0.00 177.10 173.32 1r1n s SER 32 N 2.85 6.37 -0.25 -4.21 0.01 -1.26 -0.53 113.70 116.68 1r1n s SER 32 Ca 0.04 0.43 -0.37 0.00 1.31 0.00 0.00 55.95 57.35 1r1n s SER 32 Cb -0.26 -2.04 0.15 0.00 0.21 0.00 0.00 66.02 64.08 1r1n s SER 32 CO 0.03 0.37 1.32 0.00 0.41 0.00 0.00 173.24 175.37 1r1n s ALA 33 N -1.11 -2.16 0.46 1.44 0.00 -0.53 -4.96 121.76 114.91 1r1n s ALA 33 Ca 0.19 1.80 -0.20 0.00 0.00 0.00 0.00 51.96 53.74 1r1n s ALA 33 Cb -0.12 -0.30 -0.14 0.00 0.00 0.00 0.00 23.12 22.57 1r1n s ALA 33 CO 0.08 -0.56 0.19 1.63 0.00 0.00 0.00 175.76 177.10 1r1n n LYS 34 N -0.04 0.20 0.14 0.00 4.76 -1.26 -3.86 118.16 118.10 1r1n n LYS 34 Ca 0.04 0.08 -0.13 0.00 -2.87 0.00 0.00 58.31 55.42 1r1n n LYS 34 Cb 0.57 -1.22 -0.07 0.00 -1.84 0.00 0.00 35.03 32.47 1r1n n LYS 34 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1r1n h GLY 35 N 0.31 -0.36 0.91 0.72 0.00 -1.89 -0.88 103.07 101.88 1r1n h GLY 35 Ca -0.40 0.18 0.12 0.00 0.00 0.00 0.00 47.33 47.23 1r1n h GLY 35 CO 0.46 -0.16 0.45 1.29 0.00 0.00 0.00 176.54 178.58 1r1n h ASP 36 N -0.37 0.39 -0.21 0.19 -0.00 -1.95 0.13 116.42 114.60 1r1n h ASP 36 Ca -0.01 0.01 -0.04 0.00 -0.00 0.00 0.00 57.03 56.99 1r1n h ASP 36 Cb 0.34 -0.07 -0.01 0.00 -0.00 0.00 0.00 39.33 39.59 1r1n h ASP 36 CO -0.02 0.23 -0.04 1.56 -0.00 0.00 0.00 179.24 180.97 1r1n h GLN 37 N 0.43 0.39 -0.52 4.15 4.20 -1.74 -1.30 115.11 120.73 1r1n h GLN 37 Ca 0.31 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 1r1n h GLN 37 Cb 0.64 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 1r1n h GLN 37 CO -0.09 0.63 0.17 -0.07 -0.67 0.00 0.00 178.83 178.79 1r1n h LEU 38 N 0.13 0.76 -0.29 1.46 3.38 0.06 0.65 115.31 121.44 1r1n h LEU 38 Ca 0.05 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1r1n h LEU 38 Cb 0.47 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1r1n h LEU 38 CO 0.02 0.76 0.18 0.00 0.09 0.00 0.00 178.44 179.48 1r1n h ALA 39 N 1.03 0.37 -0.58 1.53 0.00 -0.76 0.28 119.26 121.12 1r1n h ALA 39 Ca 0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1r1n h ALA 39 Cb 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1r1n h ALA 39 CO -0.01 -0.19 0.19 0.78 0.00 0.00 0.00 179.25 180.02 1r1n h GLY 40 N 0.37 0.93 0.73 0.00 0.00 -1.02 0.05 103.07 104.12 1r1n h GLY 40 Ca 0.11 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1r1n h GLY 40 CO -0.04 0.48 -0.09 -1.61 0.00 0.00 0.00 176.54 175.27 1r1n h GLN 41 N 0.85 -0.25 -0.47 4.80 4.15 -0.20 -2.44 115.11 121.54 1r1n h GLN 41 Ca 0.19 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.69 1r1n h GLN 41 Cb 0.23 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.93 1r1n h GLN 41 CO -0.01 0.04 0.17 0.82 -1.93 0.00 0.00 178.83 177.92 1r1n h ILE 42 N -0.54 0.85 -0.68 2.39 2.04 -0.26 0.26 117.51 121.58 1r1n h ILE 42 Ca -0.03 -0.12 0.11 0.00 1.00 0.00 0.00 64.86 65.82 1r1n h ILE 42 Cb 0.40 0.47 -0.08 0.00 -0.74 0.00 0.00 36.82 36.88 1r1n h ILE 42 CO 0.04 0.06 0.28 0.50 0.00 0.00 0.00 178.15 179.04 1r1n h LYS 43 N 0.35 0.46 0.16 2.37 1.63 -0.96 0.99 116.57 121.57 1r1n h LYS 43 Ca 0.22 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.99 1r1n h LYS 43 Cb 0.22 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1r1n h LYS 43 CO -0.22 0.30 -0.08 1.49 -3.45 0.00 0.00 179.45 177.49 1r1n h GLU 44 N 0.47 -0.20 -0.12 1.90 4.81 -0.65 -3.00 114.58 117.79 1r1n h GLU 44 Ca 0.35 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.63 1r1n h GLU 44 Cb 0.44 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1r1n h GLU 44 CO -0.32 0.08 0.10 0.93 -0.73 0.00 0.00 179.01 179.07 1r1n h GLU 45 N -0.49 0.00 0.00 1.92 5.08 -0.09 -3.47 114.58 117.53 1r1n h GLU 45 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1r1n h GLU 45 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1r1n h GLU 45 CO 0.04 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.46 1r1n n GLY 46 N -1.50 2.60 0.00 -3.84 0.00 0.30 -1.73 105.19 101.02 1r1n n GLY 46 Ca -0.00 -0.40 0.06 0.00 0.00 0.00 0.00 46.02 45.68 1r1n n GLY 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r1n n SER 47 N 0.18 0.00 -0.82 1.61 3.41 -1.26 -2.17 113.62 114.56 1r1n n SER 47 Ca 0.00 0.33 0.07 0.00 -0.26 0.00 0.00 58.87 59.01 1r1n n SER 47 Cb 0.00 -0.41 0.19 0.00 -0.26 0.00 0.00 64.21 63.73 1r1n n SER 47 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1r1n n ARG 48 N -1.41 2.06 -2.52 4.33 1.74 -0.70 -4.89 116.66 115.27 1r1n n ARG 48 Ca 0.04 -1.56 -0.42 0.00 -0.77 0.00 0.00 57.85 55.15 1r1n n ARG 48 Cb 0.13 -1.37 -0.03 0.00 -1.02 0.00 0.00 32.46 30.17 1r1n n ARG 48 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1r1n s SER 49 N -0.97 7.22 0.25 0.55 0.15 -0.92 -4.96 113.70 115.01 1r1n s SER 49 Ca 0.29 1.98 0.09 0.00 0.70 0.00 0.00 55.95 59.01 1r1n s SER 49 Cb 0.15 -2.59 0.27 0.00 -1.71 0.00 0.00 66.02 62.15 1r1n s SER 49 CO 0.19 -0.32 1.56 -0.65 1.20 0.00 0.00 173.24 175.22 1r1n h PRO 50 N 6.06 0.05 -6.52 5.44 0.11 -1.92 -3.45 132.00 131.78 1r1n h PRO 50 Ca -0.43 -0.04 -0.60 0.00 0.11 0.00 0.00 66.00 65.04 1r1n h PRO 50 Cb 1.21 0.01 0.09 0.00 0.11 0.00 0.00 31.00 32.42 1r1n h PRO 50 CO 0.76 0.69 0.44 0.00 -0.21 0.00 0.00 178.00 179.68 1r1n n ALA 51 N -2.43 0.41 -0.04 -0.75 0.00 -1.26 -4.52 120.51 111.92 1r1n n ALA 51 Ca -0.01 0.42 -0.02 0.00 0.00 0.00 0.00 53.44 53.82 1r1n n ALA 51 Cb 0.65 -2.17 -0.08 0.00 0.00 0.00 0.00 19.45 17.86 1r1n n ALA 51 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1r1n n ASP 52 N 1.85 2.52 -3.82 0.00 10.43 0.77 -4.33 116.55 123.97 1r1n n ASP 52 Ca 0.12 0.00 -0.12 0.00 2.57 0.00 0.00 54.79 57.35 1r1n n ASP 52 Cb 0.30 0.93 -0.11 0.00 1.84 0.00 0.00 41.12 44.08 1r1n n ASP 52 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1r1n s VAL 53 N -2.37 0.02 -0.36 2.53 1.01 -1.11 -1.52 120.40 118.61 1r1n s VAL 53 Ca -0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 1r1n s VAL 53 Cb 0.04 -0.34 0.08 0.00 0.00 0.00 0.00 36.38 36.16 1r1n s VAL 53 CO 0.42 -0.10 0.11 0.12 0.00 0.00 0.00 175.10 175.65 1r1n s PHE 54 N -0.33 3.42 -0.83 5.22 5.36 0.49 -1.86 117.98 129.45 1r1n s PHE 54 Ca -0.04 -2.06 -0.21 0.00 -0.96 0.00 0.00 56.93 53.66 1r1n s PHE 54 Cb -0.03 -2.66 0.10 0.00 -0.34 0.00 0.00 43.02 40.08 1r1n s PHE 54 CO 0.01 -0.87 1.10 -0.47 -1.46 0.00 0.00 175.22 173.53 1r1n s TYR 55 N 1.22 2.87 -0.12 10.12 5.04 -0.31 -2.02 117.35 134.15 1r1n s TYR 55 Ca 0.02 -0.98 -0.07 0.00 -2.44 0.00 0.00 57.07 53.59 1r1n s TYR 55 Cb -0.21 -4.34 -0.04 0.00 0.35 0.00 0.00 41.96 37.72 1r1n s TYR 55 CO -0.02 -1.61 0.14 0.45 -1.34 0.00 0.00 175.55 173.17 1r1n s SER 56 N 3.81 6.40 0.00 4.32 0.15 0.11 0.32 113.70 128.80 1r1n s SER 56 Ca 0.30 0.48 0.18 0.00 0.70 0.00 0.00 55.95 57.61 1r1n s SER 56 Cb -0.09 -2.07 0.54 0.00 -1.71 0.00 0.00 66.02 62.68 1r1n s SER 56 CO -0.02 0.41 1.43 -1.84 1.20 0.00 0.00 173.24 174.42 1r1n n GLU 57 N 1.99 2.03 -3.91 5.44 0.00 -1.26 0.12 120.64 125.04 1r1n n GLU 57 Ca -0.20 -1.57 -0.11 0.00 0.00 0.00 0.00 57.16 55.28 1r1n n GLU 57 Cb 0.55 -1.40 -0.13 0.00 0.00 0.00 0.00 31.44 30.46 1r1n n GLU 57 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 1r1n s GLN 58 N -1.55 0.15 0.23 3.44 -2.07 -1.22 -4.23 119.66 114.40 1r1n s GLN 58 Ca 0.33 -0.24 0.13 0.00 -1.82 0.00 0.00 55.36 53.76 1r1n s GLN 58 Cb 0.18 0.05 -0.01 0.00 -1.09 0.00 0.00 33.01 32.14 1r1n s GLN 58 CO 0.25 -0.02 1.39 0.82 -1.32 0.00 0.00 175.29 176.40 1r1n h ILE 59 N 4.91 1.08 0.00 3.63 1.08 -1.89 -3.32 117.51 123.00 1r1n h ILE 59 Ca -0.27 -2.53 -0.03 0.00 -0.39 0.00 0.00 64.86 61.63 1r1n h ILE 59 Cb 1.21 2.53 -0.00 0.00 -3.07 0.00 0.00 36.82 37.48 1r1n h ILE 59 CO 0.46 0.62 -0.15 1.55 -0.69 0.00 0.00 178.15 179.94 1r1n h PRO 60 N 0.00 0.00 0.09 2.37 0.13 -1.94 -0.38 132.00 132.27 1r1n h PRO 60 Ca -0.01 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.86 1r1n h PRO 60 Cb 1.49 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.63 1r1n h PRO 60 CO 0.08 0.15 -1.14 0.00 -0.23 0.00 0.00 178.00 176.86 1r1n h ALA 61 N 1.85 0.19 -0.08 -0.56 0.00 -1.93 -2.95 119.26 115.78 1r1n h ALA 61 Ca -0.00 -0.82 -0.24 0.00 0.00 0.00 0.00 54.91 53.85 1r1n h ALA 61 Cb 0.57 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1r1n h ALA 61 CO 0.02 0.91 -0.89 -0.07 0.00 0.00 0.00 179.25 179.22 1r1n h LEU 62 N 0.13 0.88 -1.52 0.00 3.38 -1.63 -3.02 115.31 113.54 1r1n h LEU 62 Ca -0.12 -0.63 -0.03 0.00 0.09 0.00 0.00 57.88 57.19 1r1n h LEU 62 Cb 1.84 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 1r1n h LEU 62 CO 0.19 1.43 -0.01 0.00 0.09 0.00 0.00 178.44 180.15 1r1n h ALA 63 N 0.54 1.61 0.10 1.53 0.00 -1.12 -1.43 119.26 120.50 1r1n h ALA 63 Ca -0.08 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.47 1r1n h ALA 63 Cb 1.52 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 19.24 1r1n h ALA 63 CO 0.18 0.29 -0.95 1.79 0.00 0.00 0.00 179.25 180.56 1r1n h THR 64 N 0.29 1.39 0.00 0.00 1.35 -1.54 -1.92 112.91 112.49 1r1n h THR 64 Ca 0.07 -2.39 0.00 0.00 -0.55 0.00 0.00 66.41 63.54 1r1n h THR 64 Cb 0.21 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 1r1n h THR 64 CO 0.00 0.70 0.00 -0.07 -0.25 0.00 0.00 175.52 175.91 1r1n h LEU 65 N -0.04 0.00 0.20 3.87 3.38 -1.37 -1.08 115.31 120.26 1r1n h LEU 65 Ca -0.15 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.48 1r1n h LEU 65 Cb 1.68 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.45 1r1n h LEU 65 CO 0.18 0.00 -1.66 -1.28 0.09 0.00 0.00 178.44 175.78 1r1n h SER 66 N 0.00 0.66 0.32 -0.43 0.87 -1.15 -1.43 113.55 112.38 1r1n h SER 66 Ca 0.00 -0.88 0.00 0.00 -1.23 0.00 0.00 61.79 59.68 1r1n h SER 66 Cb 0.24 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1r1n h SER 66 CO 0.00 1.73 0.00 0.00 -0.53 0.00 0.00 176.83 178.03 1r1n n ALA 67 N -2.80 1.93 -0.86 6.23 0.00 -0.46 -1.59 120.51 122.96 1r1n n ALA 67 Ca -0.22 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.22 1r1n n ALA 67 Cb 1.08 -1.28 0.15 0.00 0.00 0.00 0.00 19.45 19.41 1r1n n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r1n n ALA 68 N -1.28 2.40 -4.11 0.00 0.00 -0.89 -5.01 120.51 111.62 1r1n n ALA 68 Ca 0.08 -2.26 -0.34 0.00 0.00 0.00 0.00 53.44 50.92 1r1n n ALA 68 Cb 0.13 -0.41 -0.04 0.00 0.00 0.00 0.00 19.45 19.13 1r1n n ALA 68 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1r1n n ASN 69 N -0.98 -1.05 -0.42 0.00 4.13 -0.62 -4.81 115.26 111.50 1r1n n ASN 69 Ca 0.15 -1.17 0.04 0.00 1.68 0.00 0.00 54.58 55.28 1r1n n ASN 69 Cb 0.64 -1.43 0.07 0.00 -1.54 0.00 0.00 39.78 37.52 1r1n n ASN 69 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1r1n n LEU 70 N -4.44 2.17 -4.66 3.41 4.77 -0.54 -4.93 117.00 112.78 1r1n n LEU 70 Ca -0.21 -1.44 -0.30 0.00 -0.03 0.00 0.00 56.01 54.02 1r1n n LEU 70 Cb 0.58 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 1r1n n LEU 70 CO 0.73 0.49 -0.35 -0.76 -1.33 0.00 0.00 177.39 176.17 1r1n s LEU 71 N -0.85 3.38 -0.03 2.23 1.02 -1.24 -1.72 118.68 121.47 1r1n s LEU 71 Ca 0.14 -0.19 -0.01 0.00 0.02 0.00 0.00 54.13 54.08 1r1n s LEU 71 Cb 0.08 -2.09 -0.04 0.00 0.02 0.00 0.00 46.19 44.17 1r1n s LEU 71 CO 0.12 0.19 0.08 -0.70 0.02 0.00 0.00 176.35 176.06 1r1n s GLU 72 N -2.15 3.11 -0.01 1.70 2.12 0.79 -4.61 118.70 119.65 1r1n s GLU 72 Ca 0.24 -0.43 -0.33 0.00 0.36 0.00 0.00 54.97 54.81 1r1n s GLU 72 Cb -0.12 -2.90 -0.12 0.00 0.26 0.00 0.00 34.13 31.26 1r1n s GLU 72 CO 0.16 0.67 1.84 -2.30 -0.54 0.00 0.00 175.26 175.09 1r1n n PRO 73 N 1.39 2.33 -3.22 4.30 -0.02 -1.26 -4.53 135.00 133.98 1r1n n PRO 73 Ca -0.14 0.85 -0.33 0.00 -2.02 0.00 0.00 63.50 61.85 1r1n n PRO 73 Cb 0.53 -2.70 -0.06 0.00 -0.02 0.00 0.00 33.50 31.25 1r1n n PRO 73 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1r1n s LEU 74 N 3.48 4.17 0.33 2.45 1.43 0.31 -4.98 118.68 125.86 1r1n s LEU 74 Ca 0.89 1.20 -0.29 0.00 -1.03 0.00 0.00 54.13 54.90 1r1n s LEU 74 Cb -0.63 -3.81 -0.11 0.00 0.03 0.00 0.00 46.19 41.67 1r1n s LEU 74 CO 0.47 -0.10 1.51 -2.84 0.23 0.00 0.00 176.35 175.62 1r1n s PRO 75 N -2.64 4.14 0.36 1.29 0.02 -1.26 -4.80 135.00 132.11 1r1n s PRO 75 Ca 0.49 2.53 0.18 0.00 0.02 0.00 0.00 61.00 64.21 1r1n s PRO 75 Cb -0.12 -3.01 0.97 0.00 0.02 0.00 0.00 34.50 32.36 1r1n s PRO 75 CO 0.19 -0.54 1.48 0.00 -0.33 0.00 0.00 177.00 177.80 1r1n h ALA 76 N 3.94 1.15 -0.33 -1.55 0.00 -1.95 0.19 119.26 120.71 1r1n h ALA 76 Ca -0.49 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 1r1n h ALA 76 Cb 1.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1r1n h ALA 76 CO 0.71 -0.15 -0.36 0.77 0.00 0.00 0.00 179.25 180.23 1r1n h SER 77 N 0.00 0.89 -0.25 0.00 0.02 -1.99 -2.38 113.55 109.84 1r1n h SER 77 Ca 0.00 -0.48 -0.04 0.00 -0.84 0.00 0.00 61.79 60.43 1r1n h SER 77 Cb 0.42 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1r1n h SER 77 CO 0.00 1.18 -0.02 0.74 -1.14 0.00 0.00 176.83 177.60 1r1n h THR 78 N 0.61 1.27 -0.19 -2.27 2.02 -0.96 -3.00 112.91 110.38 1r1n h THR 78 Ca 0.05 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 66.23 1r1n h THR 78 Cb 0.95 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 1r1n h THR 78 CO 0.09 0.30 -0.03 0.40 0.37 0.00 0.00 175.52 176.64 1r1n h ILE 79 N 0.22 1.28 0.00 3.11 2.04 -1.59 -2.64 117.51 119.93 1r1n h ILE 79 Ca 0.07 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1r1n h ILE 79 Cb 0.45 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1r1n h ILE 79 CO 0.02 0.30 0.00 0.59 0.00 0.00 0.00 178.15 179.05 1r1n n ASN 80 N -4.66 0.33 0.24 1.72 4.13 -0.90 -1.39 115.26 114.74 1r1n n ASN 80 Ca -0.05 0.62 0.11 0.00 1.68 0.00 0.00 54.58 56.95 1r1n n ASN 80 Cb 0.26 -0.68 0.61 0.00 -1.54 0.00 0.00 39.78 38.43 1r1n n ASN 80 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1r1n h GLU 81 N 0.00 0.00 0.00 3.52 4.57 -1.32 -3.00 114.58 118.35 1r1n h GLU 81 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1r1n h GLU 81 Cb 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1r1n h GLU 81 CO 0.00 0.17 0.00 0.25 -1.18 0.00 0.00 179.01 178.25 1r1n n THR 82 N -3.53 0.00 -1.45 0.32 -2.24 -0.69 -4.50 114.28 102.19 1r1n n THR 82 Ca -0.01 -0.49 -0.45 0.00 -2.27 0.00 0.00 64.05 60.83 1r1n n THR 82 Cb 0.33 1.00 -0.13 0.00 -2.10 0.00 0.00 70.33 69.43 1r1n n THR 82 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1r1n n ARG 83 N -0.72 0.15 -4.06 -0.78 0.63 -0.48 -4.80 116.66 106.60 1r1n n ARG 83 Ca 0.00 0.02 -0.17 0.00 -0.92 0.00 0.00 57.85 56.77 1r1n n ARG 83 Cb 0.00 -1.73 -0.06 0.00 0.45 0.00 0.00 32.46 31.12 1r1n n ARG 83 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1r1n n GLY 84 N 6.67 2.67 3.69 5.14 0.00 -1.26 -5.01 105.19 117.09 1r1n n GLY 84 Ca 0.60 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 1r1n n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1r1n s LYS 85 N -3.12 4.40 0.00 1.61 2.20 -1.26 -3.42 119.74 120.15 1r1n s LYS 85 Ca 0.35 1.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.09 1r1n s LYS 85 Cb 0.01 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 1r1n s LYS 85 CO 0.25 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.46 1r1n n GLY 86 N 3.20 2.17 3.67 5.54 0.00 -1.26 -5.00 105.19 113.51 1r1n n GLY 86 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1r1n n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r1n s VAL 87 N -2.49 4.53 0.15 1.61 1.01 -1.22 -4.89 120.40 119.11 1r1n s VAL 87 Ca 0.00 1.84 -0.34 0.00 0.00 0.00 0.00 61.98 63.48 1r1n s VAL 87 Cb 0.00 -4.19 -0.16 0.00 0.00 0.00 0.00 36.38 32.03 1r1n s VAL 87 CO 0.00 -0.12 1.20 -2.65 0.00 0.00 0.00 175.10 173.53 1r1n n PRO 88 N 6.12 1.14 -5.27 2.72 -0.02 -1.26 -4.78 135.00 133.64 1r1n n PRO 88 Ca 0.12 0.41 -0.31 0.00 -2.02 0.00 0.00 63.50 61.70 1r1n n PRO 88 Cb 0.46 -1.94 -0.16 0.00 -0.02 0.00 0.00 33.50 31.84 1r1n n PRO 88 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1r1n s VAL 89 N -0.03 2.12 -0.10 -1.45 1.01 -1.26 -4.46 120.40 116.23 1r1n s VAL 89 Ca 0.76 -1.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 1r1n s VAL 89 Cb -0.88 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1r1n s VAL 89 CO 0.51 0.58 1.33 0.00 0.00 0.00 0.00 175.10 177.52 1r1n s ALA 90 N -0.49 3.61 -0.58 5.51 0.00 -1.26 -4.89 121.76 123.66 1r1n s ALA 90 Ca 0.06 0.64 0.21 0.00 0.00 0.00 0.00 51.96 52.87 1r1n s ALA 90 Cb -0.11 -3.61 0.90 0.00 0.00 0.00 0.00 23.12 20.30 1r1n s ALA 90 CO 0.00 -1.07 1.64 0.00 0.00 0.00 0.00 175.76 176.34 1r1n n ALA 91 N 6.14 1.61 -1.08 0.00 0.00 -1.26 -2.49 120.51 123.44 1r1n n ALA 91 Ca 0.14 0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.69 1r1n n ALA 91 Cb 0.45 -1.34 0.08 0.00 0.00 0.00 0.00 19.45 18.63 1r1n n ALA 91 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1r1n n LYS 92 N -2.08 1.22 -3.70 0.00 5.02 -1.26 -5.01 118.16 112.35 1r1n n LYS 92 Ca 0.02 -1.92 -0.28 0.00 -2.02 0.00 0.00 58.31 54.11 1r1n n LYS 92 Cb 0.20 -1.13 -0.01 0.00 -0.02 0.00 0.00 35.03 34.07 1r1n n LYS 92 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1r1n n LYS 93 N -0.88 -3.59 -0.23 1.97 4.76 -1.04 -4.82 118.16 114.33 1r1n n LYS 93 Ca 0.09 0.45 0.06 0.00 -2.87 0.00 0.00 58.31 56.04 1r1n n LYS 93 Cb 0.58 -5.19 0.17 0.00 -1.84 0.00 0.00 35.03 28.74 1r1n n LYS 93 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1r1n n ASP 94 N -2.47 3.08 -3.51 4.39 3.85 -1.26 -0.53 116.55 120.10 1r1n n ASP 94 Ca 0.02 -2.43 -0.11 0.00 -0.71 0.00 0.00 54.79 51.56 1r1n n ASP 94 Cb 0.52 -0.32 -0.03 0.00 -1.35 0.00 0.00 41.12 39.93 1r1n n ASP 94 CO 0.00 0.00 0.00 -1.66 -1.01 0.00 0.00 177.20 174.53 1r1n s TRP 95 N -1.77 -0.43 -0.01 2.11 1.48 -1.26 -4.42 118.94 114.64 1r1n s TRP 95 Ca 0.27 0.47 0.01 0.00 -1.06 0.00 0.00 56.10 55.80 1r1n s TRP 95 Cb 0.19 0.50 0.00 0.00 -1.16 0.00 0.00 33.47 33.01 1r1n s TRP 95 CO 0.10 -0.56 -0.05 0.54 -4.06 0.00 0.00 176.95 172.93 1r1n s VAL 96 N -2.47 0.41 0.38 -0.66 0.11 -0.85 -4.35 120.40 112.97 1r1n s VAL 96 Ca 0.00 -0.19 -0.25 0.00 -2.93 0.00 0.00 61.98 58.61 1r1n s VAL 96 Cb -0.01 -0.37 -0.09 0.00 -1.53 0.00 0.00 36.38 34.39 1r1n s VAL 96 CO -0.04 0.13 1.11 0.00 -3.33 0.00 0.00 175.10 172.97 1r1n s ALA 97 N 0.07 3.16 -0.02 1.54 0.00 -1.26 -2.09 121.76 123.17 1r1n s ALA 97 Ca -0.00 0.86 -0.07 0.00 0.00 0.00 0.00 51.96 52.74 1r1n s ALA 97 Cb -0.04 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1r1n s ALA 97 CO -0.00 -0.36 -0.13 1.28 0.00 0.00 0.00 175.76 176.55 1r1n n LEU 98 N 0.19 1.30 0.00 0.00 4.77 0.16 -4.77 117.00 118.65 1r1n n LEU 98 Ca 0.04 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1r1n n LEU 98 Cb 0.47 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1r1n n LEU 98 CO 0.49 -0.55 0.00 -1.54 -1.33 0.00 0.00 177.39 174.46 1r1n n SER 99 N -3.75 0.12 -3.76 -1.43 3.41 -1.23 -1.73 113.62 105.25 1r1n n SER 99 Ca -0.05 -0.41 -0.13 0.00 -0.26 0.00 0.00 58.87 58.02 1r1n n SER 99 Cb 0.19 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.05 1r1n n SER 99 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1r1n s GLY 100 N -0.41 -0.21 0.14 5.00 0.00 -0.10 -2.21 107.32 109.53 1r1n s GLY 100 Ca 0.00 0.69 0.04 0.00 0.00 0.00 0.00 44.72 45.44 1r1n s GLY 100 CO 0.00 0.53 0.16 0.50 0.00 0.00 0.00 173.10 174.29 1r1n s ARG 101 N -0.41 3.04 -0.01 2.90 0.52 0.42 -2.00 118.95 123.41 1r1n s ARG 101 Ca -0.05 -0.75 0.01 0.00 -0.52 0.00 0.00 55.73 54.42 1r1n s ARG 101 Cb -0.04 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.68 1r1n s ARG 101 CO 0.02 0.52 -0.04 0.45 0.02 0.00 0.00 175.30 176.26 1r1n s SER 102 N -2.96 0.57 0.30 0.23 0.15 -1.26 0.70 113.70 111.43 1r1n s SER 102 Ca 0.32 -0.08 -0.29 0.00 0.70 0.00 0.00 55.95 56.59 1r1n s SER 102 Cb -0.11 -0.11 -0.10 0.00 -1.71 0.00 0.00 66.02 63.99 1r1n s SER 102 CO 0.24 0.03 1.22 -0.13 1.20 0.00 0.00 173.24 175.81 1r1n s ARG 103 N 0.10 4.47 0.11 5.44 1.81 -0.70 -1.46 118.95 128.73 1r1n s ARG 103 Ca -0.01 2.04 -0.08 0.00 -1.72 0.00 0.00 55.73 55.97 1r1n s ARG 103 Cb -0.04 -3.13 -0.01 0.00 -0.45 0.00 0.00 34.95 31.32 1r1n s ARG 103 CO -0.00 -0.03 0.19 0.14 -0.68 0.00 0.00 175.30 174.91 1r1n s VAL 104 N -1.04 0.12 -0.33 3.52 -7.23 1.00 -4.75 120.40 111.69 1r1n s VAL 104 Ca 0.48 -1.35 -0.03 0.00 -1.81 0.00 0.00 61.98 59.26 1r1n s VAL 104 Cb -0.36 -1.57 0.06 0.00 0.56 0.00 0.00 36.38 35.07 1r1n s VAL 104 CO 0.47 -0.55 0.07 -0.69 -0.31 0.00 0.00 175.10 174.09 1r1n s VAL 105 N -3.91 3.24 -0.18 1.32 1.01 -0.90 -1.33 120.40 119.65 1r1n s VAL 105 Ca 0.10 -1.49 -0.19 0.00 0.00 0.00 0.00 61.98 60.41 1r1n s VAL 105 Cb 0.05 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1r1n s VAL 105 CO -0.07 -0.26 0.54 0.54 0.00 0.00 0.00 175.10 175.85 1r1n s VAL 106 N 1.26 5.10 0.13 2.92 0.11 -0.98 0.63 120.40 129.58 1r1n s VAL 106 Ca -0.01 1.03 0.06 0.00 -2.93 0.00 0.00 61.98 60.13 1r1n s VAL 106 Cb -0.20 -3.87 -0.04 0.00 -1.53 0.00 0.00 36.38 30.74 1r1n s VAL 106 CO -0.01 0.19 -0.14 -0.72 -3.33 0.00 0.00 175.10 171.09 1r1n s TYR 107 N 1.48 1.47 -0.40 1.54 1.13 -0.12 -1.99 117.35 120.45 1r1n s TYR 107 Ca 0.26 -0.56 -0.27 0.00 -1.41 0.00 0.00 57.07 55.09 1r1n s TYR 107 Cb -0.16 -0.75 0.02 0.00 -1.10 0.00 0.00 41.96 39.97 1r1n s TYR 107 CO 0.10 0.18 1.00 0.34 -2.51 0.00 0.00 175.55 174.66 1r1n s ASP 108 N -2.58 6.68 0.55 -0.18 3.68 -0.51 -2.02 116.67 122.29 1r1n s ASP 108 Ca 0.11 0.56 0.24 0.00 2.13 0.00 0.00 52.55 55.60 1r1n s ASP 108 Cb -0.04 -2.50 1.55 0.00 -1.45 0.00 0.00 42.92 40.48 1r1n s ASP 108 CO 0.04 -0.99 2.18 0.71 0.13 0.00 0.00 175.17 177.23 1r1n h THR 109 N 5.95 0.71 0.00 1.71 1.35 -1.60 1.16 112.91 122.19 1r1n h THR 109 Ca -0.23 -0.15 -0.07 0.00 -0.55 0.00 0.00 66.41 65.41 1r1n h THR 109 Cb 1.07 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 68.57 1r1n h THR 109 CO 1.03 0.04 -0.35 0.03 -0.25 0.00 0.00 175.52 176.02 1r1n h ARG 110 N 0.00 0.00 -0.01 4.72 3.08 -1.92 -3.23 114.38 117.02 1r1n h ARG 110 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1r1n h ARG 110 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1r1n h ARG 110 CO 0.00 0.35 -0.23 1.63 -1.07 0.00 0.00 179.97 180.66 1r1n n LYS 111 N -3.35 2.48 -3.89 0.04 5.02 -0.29 -5.07 118.16 113.10 1r1n n LYS 111 Ca 0.01 -0.48 -0.11 0.00 -2.02 0.00 0.00 58.31 55.72 1r1n n LYS 111 Cb 0.56 -1.03 0.01 0.00 -0.02 0.00 0.00 35.03 34.55 1r1n n LYS 111 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1r1n s LEU 112 N -1.71 0.31 -0.02 -0.35 1.43 0.39 -4.97 118.68 113.75 1r1n s LEU 112 Ca 0.07 -1.25 -0.26 0.00 -1.03 0.00 0.00 54.13 51.65 1r1n s LEU 112 Cb 0.07 2.45 0.06 0.00 0.03 0.00 0.00 46.19 48.80 1r1n s LEU 112 CO 0.25 -1.58 0.58 -0.55 0.23 0.00 0.00 176.35 175.28 1r1n s SER 113 N -3.12 -0.54 0.47 2.29 0.15 -1.26 -4.13 113.70 107.56 1r1n s SER 113 Ca 0.20 0.51 0.36 0.00 0.70 0.00 0.00 55.95 57.72 1r1n s SER 113 Cb -0.04 0.49 1.54 0.00 -1.71 0.00 0.00 66.02 66.30 1r1n s SER 113 CO 0.14 -0.60 1.59 -0.33 1.20 0.00 0.00 173.24 175.24 1r1n h GLU 114 N 3.11 0.02 -0.52 5.44 4.39 -1.98 0.28 114.58 125.33 1r1n h GLU 114 Ca -0.28 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.43 1r1n h GLU 114 Cb 1.16 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.78 1r1n h GLU 114 CO 0.39 0.01 0.33 0.87 -1.16 0.00 0.00 179.01 179.46 1r1n h LYS 115 N 0.02 0.65 -0.09 2.33 1.79 -2.02 -2.61 116.57 116.65 1r1n h LYS 115 Ca 0.88 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 59.31 1r1n h LYS 115 Cb 2.99 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 33.50 1r1n h LYS 115 CO -0.34 0.43 0.00 -0.25 -1.08 0.00 0.00 179.45 178.21 1r1n n ASP 116 N -4.75 0.09 -4.90 0.86 8.00 0.99 -4.85 116.55 111.99 1r1n n ASP 116 Ca 0.03 -1.94 -0.33 0.00 0.71 0.00 0.00 54.79 53.27 1r1n n ASP 116 Cb 0.04 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 1r1n n ASP 116 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1r1n s LEU 117 N -0.91 4.34 0.56 0.64 1.43 -0.99 -4.95 118.68 118.81 1r1n s LEU 117 Ca 0.00 0.45 -0.21 0.00 -1.03 0.00 0.00 54.13 53.34 1r1n s LEU 117 Cb 0.00 -2.89 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 1r1n s LEU 117 CO 0.00 0.19 1.26 -1.61 0.23 0.00 0.00 176.35 176.42 1r1n s GLU 118 N -2.21 3.14 0.07 1.70 0.41 -1.26 -4.94 118.70 115.62 1r1n s GLU 118 Ca 0.33 1.99 0.26 0.00 -0.41 0.00 0.00 54.97 57.14 1r1n s GLU 118 Cb -0.13 -2.13 0.76 0.00 -1.78 0.00 0.00 34.13 30.85 1r1n s GLU 118 CO 0.22 -1.11 1.63 1.63 -0.49 0.00 0.00 175.26 177.13 1r1n n LYS 119 N -1.21 0.12 -3.83 1.61 4.76 -1.26 -4.79 118.16 113.57 1r1n n LYS 119 Ca 0.11 0.07 -0.12 0.00 -2.87 0.00 0.00 58.31 55.50 1r1n n LYS 119 Cb 0.47 -1.61 -0.13 0.00 -1.84 0.00 0.00 35.03 31.92 1r1n n LYS 119 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1r1n s SER 120 N -3.61 -0.10 0.09 4.39 0.15 -1.26 -4.89 113.70 108.47 1r1n s SER 120 Ca 0.11 0.20 0.19 0.00 0.70 0.00 0.00 55.95 57.15 1r1n s SER 120 Cb 0.16 0.19 0.79 0.00 -1.71 0.00 0.00 66.02 65.45 1r1n s SER 120 CO 0.63 -0.05 1.60 0.55 1.20 0.00 0.00 173.24 177.17 1r1n n VAL 121 N 3.18 0.84 1.92 4.45 3.14 -1.26 -2.04 118.33 128.56 1r1n n VAL 121 Ca -0.14 0.20 0.12 0.00 -2.96 0.00 0.00 64.34 61.55 1r1n n VAL 121 Cb 0.58 -0.99 0.67 0.00 -1.06 0.00 0.00 33.84 33.05 1r1n n VAL 121 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1r1n n LEU 122 N -1.76 0.19 -0.00 6.55 4.77 -1.26 -3.32 117.00 122.16 1r1n n LEU 122 Ca 0.03 -0.07 0.08 0.00 -0.03 0.00 0.00 56.01 56.03 1r1n n LEU 122 Cb 0.22 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.19 1r1n n LEU 122 CO 0.17 0.04 -0.27 0.59 -1.33 0.00 0.00 177.39 176.59 1r1n n ASN 123 N -0.74 0.87 0.00 -1.43 3.02 -0.87 -4.22 115.26 111.89 1r1n n ASN 123 Ca 0.18 -0.59 0.10 0.00 -0.03 0.00 0.00 54.58 54.24 1r1n n ASN 123 Cb 0.11 1.28 0.51 0.00 -0.61 0.00 0.00 39.78 41.07 1r1n n ASN 123 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1r1n n TYR 124 N -1.65 0.00 -0.89 3.10 4.01 -1.21 -2.57 117.16 117.95 1r1n n TYR 124 Ca 0.01 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.61 1r1n n TYR 124 Cb 0.33 -0.30 0.21 0.00 -0.31 0.00 0.00 39.34 39.28 1r1n n TYR 124 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1r1n n ALA 125 N -1.30 4.86 -2.33 -0.72 0.00 -1.26 -4.72 120.51 115.04 1r1n n ALA 125 Ca 0.09 -2.34 -0.22 0.00 0.00 0.00 0.00 53.44 50.98 1r1n n ALA 125 Cb 0.17 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.25 1r1n n ALA 125 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1r1n s THR 126 N -2.82 2.74 0.33 0.00 -4.23 -1.06 -4.38 115.64 106.21 1r1n s THR 126 Ca 0.50 -1.45 0.37 0.00 -1.18 0.00 0.00 61.69 59.93 1r1n s THR 126 Cb 0.41 -3.02 0.39 0.00 1.34 0.00 0.00 72.50 71.61 1r1n s THR 126 CO 0.11 -0.04 2.13 -0.65 -0.54 0.00 0.00 174.62 175.63 1r1n h PRO 127 N 1.19 0.00 -0.05 3.99 0.11 -1.91 -3.12 132.00 132.21 1r1n h PRO 127 Ca -0.42 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 1r1n h PRO 127 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1r1n h PRO 127 CO 0.61 0.00 -0.09 -0.22 -0.21 0.00 0.00 178.00 178.08 1r1n h LYS 128 N 0.00 0.07 -1.20 1.05 3.64 -1.94 -3.07 116.57 115.12 1r1n h LYS 128 Ca 0.00 -0.01 -0.67 0.00 -1.27 0.00 0.00 60.65 58.70 1r1n h LYS 128 Cb 0.14 -0.01 -0.32 0.00 -0.41 0.00 0.00 32.23 31.63 1r1n h LYS 128 CO 0.00 0.17 0.52 0.91 -2.27 0.00 0.00 179.45 178.78 1r1n n TRP 129 N -4.39 3.11 -1.74 1.91 7.02 -1.18 -4.95 117.44 117.23 1r1n n TRP 129 Ca -0.02 -2.75 -0.43 0.00 -1.02 0.00 0.00 57.50 53.28 1r1n n TRP 129 Cb 0.19 -1.12 -0.03 0.00 -2.42 0.00 0.00 31.31 27.94 1r1n n TRP 129 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1r1n s LYS 130 N -3.82 3.42 -2.01 -0.99 2.47 -1.16 -1.65 119.74 115.99 1r1n s LYS 130 Ca 0.59 1.99 0.00 0.00 -1.56 0.00 0.00 55.97 56.98 1r1n s LYS 130 Cb 0.47 -4.27 0.00 0.00 -1.46 0.00 0.00 37.83 32.57 1r1n s LYS 130 CO -0.10 -1.77 0.00 0.09 0.16 0.00 0.00 175.35 173.73 1r1n n ASN 131 N 10.36 -5.43 -0.00 1.43 3.02 -0.18 -4.82 115.26 119.64 1r1n n ASN 131 Ca 0.26 0.38 0.04 0.00 -0.03 0.00 0.00 54.58 55.23 1r1n n ASN 131 Cb 0.45 -4.63 -0.06 0.00 -0.61 0.00 0.00 39.78 34.93 1r1n n ASN 131 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1r1n n ARG 132 N -2.53 2.85 -4.94 3.52 1.74 -0.66 -4.61 116.66 112.04 1r1n n ARG 132 Ca -0.20 -0.03 -0.27 0.00 -0.77 0.00 0.00 57.85 56.57 1r1n n ARG 132 Cb 0.65 -1.01 -0.15 0.00 -1.02 0.00 0.00 32.46 30.93 1r1n n ARG 132 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1r1n s ILE 133 N -2.08 1.75 0.10 0.55 1.10 -1.21 -0.70 121.20 120.71 1r1n s ILE 133 Ca 0.01 -1.05 0.10 0.00 -0.51 0.00 0.00 60.65 59.20 1r1n s ILE 133 Cb 0.06 -1.47 -0.04 0.00 0.15 0.00 0.00 42.46 41.16 1r1n s ILE 133 CO 0.36 0.40 -0.25 -0.83 -2.11 0.00 0.00 174.94 172.51 1r1n s GLY 134 N -0.77 1.43 0.13 1.50 0.00 -0.58 -1.39 107.32 107.64 1r1n s GLY 134 Ca 0.08 -1.35 -0.03 0.00 0.00 0.00 0.00 44.72 43.42 1r1n s GLY 134 CO 0.00 -1.32 0.10 -2.52 0.00 0.00 0.00 173.10 169.37 1r1n s TYR 135 N -1.03 0.68 -0.68 1.90 1.13 -0.80 -0.22 117.35 118.34 1r1n s TYR 135 Ca 0.11 -1.08 -0.02 0.00 -1.41 0.00 0.00 57.07 54.68 1r1n s TYR 135 Cb -0.10 -0.35 0.17 0.00 -1.10 0.00 0.00 41.96 40.58 1r1n s TYR 135 CO 0.05 -0.55 0.50 0.08 -2.51 0.00 0.00 175.55 173.12 1r1n s VAL 136 N -4.01 3.73 -1.15 -3.49 1.01 -1.26 -1.55 120.40 113.68 1r1n s VAL 136 Ca 0.20 -3.25 0.00 0.00 0.00 0.00 0.00 61.98 58.93 1r1n s VAL 136 Cb 0.06 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1r1n s VAL 136 CO -0.01 -0.92 0.18 -0.81 0.00 0.00 0.00 175.10 173.55 1r1n n PRO 137 N 3.14 0.32 -0.01 2.72 -0.04 -1.26 -1.43 135.00 138.44 1r1n n PRO 137 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1r1n n PRO 137 Cb 0.37 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 1r1n n PRO 137 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1r1n n THR 138 N 0.22 0.00 -2.87 0.52 5.66 -1.26 -4.97 114.28 111.58 1r1n n THR 138 Ca 0.00 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 1r1n n THR 138 Cb 0.07 0.74 -0.06 0.00 -1.55 0.00 0.00 70.33 69.53 1r1n n THR 138 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1r1n s SER 139 N -0.01 7.30 0.22 1.09 0.15 -0.51 -4.97 113.70 116.97 1r1n s SER 139 Ca 0.00 1.73 0.05 0.00 0.70 0.00 0.00 55.95 58.43 1r1n s SER 139 Cb 0.00 -2.54 0.19 0.00 -1.71 0.00 0.00 66.02 61.97 1r1n s SER 139 CO 0.00 0.00 1.52 1.23 1.20 0.00 0.00 173.24 177.19 1r1n h GLY 140 N 3.41 0.20 2.00 9.45 0.00 -1.99 -2.82 103.07 113.32 1r1n h GLY 140 Ca -0.47 -0.27 -0.12 0.00 0.00 0.00 0.00 47.33 46.47 1r1n h GLY 140 CO 0.65 0.24 -0.56 0.00 0.00 0.00 0.00 176.54 176.88 1r1n h ALA 141 N 1.17 0.72 -0.09 3.60 0.00 -1.95 -3.07 119.26 119.64 1r1n h ALA 141 Ca -0.02 -0.51 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 1r1n h ALA 141 Cb 1.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1r1n h ALA 141 CO 0.10 0.70 -0.52 0.35 0.00 0.00 0.00 179.25 179.87 1r1n h PHE 142 N 0.00 0.30 -0.01 0.00 3.57 -1.80 -2.95 116.94 116.04 1r1n h PHE 142 Ca -0.01 -0.10 -0.15 0.00 3.53 0.00 0.00 57.97 61.25 1r1n h PHE 142 Cb 1.31 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 1r1n h PHE 142 CO 0.00 0.71 -0.67 1.25 -2.23 0.00 0.00 178.31 177.37 1r1n h LEU 143 N 0.19 0.07 -1.44 0.59 5.85 -1.44 -2.77 115.31 116.34 1r1n h LEU 143 Ca 0.00 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1r1n h LEU 143 Cb 0.99 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 1r1n h LEU 143 CO 0.08 0.72 -0.25 -0.33 -0.34 0.00 0.00 178.44 178.32 1r1n h GLU 144 N 0.04 0.00 -0.12 1.25 4.39 -1.43 -1.60 114.58 117.11 1r1n h GLU 144 Ca -0.01 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.48 1r1n h GLU 144 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1r1n h GLU 144 CO 0.09 0.25 -0.77 0.37 -1.16 0.00 0.00 179.01 177.80 1r1n h GLN 145 N 0.00 0.64 -0.14 2.33 5.75 -1.35 -1.77 115.11 120.58 1r1n h GLN 145 Ca -0.00 -0.53 -0.03 0.00 -0.15 0.00 0.00 58.65 57.94 1r1n h GLN 145 Cb 0.58 0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.23 1r1n h GLN 145 CO 0.03 1.15 -0.01 0.82 -2.65 0.00 0.00 178.83 178.17 1r1n h ILE 146 N 0.44 1.27 -0.93 2.39 2.04 -1.32 -1.94 117.51 119.44 1r1n h ILE 146 Ca -0.05 -0.89 0.10 0.00 1.00 0.00 0.00 64.86 65.02 1r1n h ILE 146 Cb 1.38 1.57 -0.07 0.00 -0.74 0.00 0.00 36.82 38.96 1r1n h ILE 146 CO 0.15 0.26 0.60 0.58 0.00 0.00 0.00 178.15 179.74 1r1n h VAL 147 N -0.01 0.98 -0.11 1.67 2.07 -1.27 -1.39 116.25 118.18 1r1n h VAL 147 Ca 0.04 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 1r1n h VAL 147 Cb 0.41 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1r1n h VAL 147 CO 0.01 0.17 -0.20 0.00 0.02 0.00 0.00 177.57 177.57 1r1n h ALA 148 N 1.53 0.17 -0.96 1.67 0.00 -1.20 -2.86 119.26 117.61 1r1n h ALA 148 Ca 0.43 -0.37 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1r1n h ALA 148 Cb 0.38 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1r1n h ALA 148 CO -0.19 0.11 0.61 0.82 0.00 0.00 0.00 179.25 180.59 1r1n h ILE 149 N -0.11 1.03 0.93 0.00 2.04 -0.83 0.19 117.51 120.76 1r1n h ILE 149 Ca 0.01 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 1r1n h ILE 149 Cb 0.78 -0.13 0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1r1n h ILE 149 CO 0.05 0.19 -0.45 0.58 0.00 0.00 0.00 178.15 178.52 1r1n h VAL 150 N 1.07 0.04 -0.14 1.67 2.07 -1.27 1.34 116.25 121.03 1r1n h VAL 150 Ca 0.43 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.88 1r1n h VAL 150 Cb 0.24 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1r1n h VAL 150 CO -0.20 0.00 -0.01 0.11 0.02 0.00 0.00 177.57 177.50 1r1n h LYS 151 N -1.30 0.20 0.04 1.57 1.57 -1.32 0.64 116.57 117.96 1r1n h LYS 151 Ca -0.13 -0.03 -0.29 0.00 -1.87 0.00 0.00 60.65 58.33 1r1n h LYS 151 Cb 0.96 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.20 1r1n h LYS 151 CO 0.21 0.23 -1.63 -0.07 -0.57 0.00 0.00 179.45 177.62 1r1n h LEU 152 N 0.20 0.12 0.00 2.94 3.38 -0.45 -3.41 115.31 118.08 1r1n h LEU 152 Ca 0.05 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1r1n h LEU 152 Cb 0.15 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1r1n h LEU 152 CO 0.00 1.19 -0.04 0.29 0.09 0.00 0.00 178.44 179.97 1r1n n LYS 153 N -3.21 5.57 0.00 1.13 4.76 0.46 -5.04 118.16 121.83 1r1n n LYS 153 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 1r1n n LYS 153 Cb 1.04 -0.44 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 1r1n n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1r1n n GLY 154 N 0.90 2.39 0.20 0.72 0.00 0.22 -4.64 105.19 104.97 1r1n n GLY 154 Ca 0.00 -1.91 0.02 0.00 0.00 0.00 0.00 46.02 44.13 1r1n n GLY 154 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1r1n h GLU 155 N 0.00 0.06 -0.21 1.61 4.81 -1.87 -3.12 114.58 115.85 1r1n h GLU 155 Ca 0.00 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1r1n h GLU 155 Cb 0.00 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1r1n h GLU 155 CO 0.00 0.38 -0.19 0.00 -0.73 0.00 0.00 179.01 178.47 1r1n h ALA 156 N 1.62 1.30 0.10 2.92 0.00 -1.95 -2.07 119.26 121.19 1r1n h ALA 156 Ca 0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1r1n h ALA 156 Cb 0.60 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1r1n h ALA 156 CO 0.04 0.47 -0.05 0.00 0.00 0.00 0.00 179.25 179.71 1r1n h ALA 157 N 1.48 -0.13 -0.80 0.00 0.00 -1.81 0.43 119.26 118.43 1r1n h ALA 157 Ca 0.06 -0.25 0.15 0.00 0.00 0.00 0.00 54.91 54.86 1r1n h ALA 157 Cb 0.52 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1r1n h ALA 157 CO 0.03 -0.19 0.53 0.00 0.00 0.00 0.00 179.25 179.62 1r1n h ALA 158 N -0.31 2.02 0.05 0.00 0.00 -1.57 0.85 119.26 120.30 1r1n h ALA 158 Ca -0.01 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 1r1n h ALA 158 Cb 0.55 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1r1n h ALA 158 CO 0.02 -0.23 -1.04 1.25 0.00 0.00 0.00 179.25 179.25 1r1n h LEU 159 N 0.51 0.28 -0.75 0.00 5.85 -1.40 -2.41 115.31 117.39 1r1n h LEU 159 Ca 0.40 -0.27 -0.13 0.00 0.84 0.00 0.00 57.88 58.72 1r1n h LEU 159 Cb 0.81 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1r1n h LEU 159 CO -0.15 1.15 -0.61 0.50 -0.34 0.00 0.00 178.44 178.98 1r1n h LYS 160 N 0.08 0.04 -0.17 1.25 3.64 0.16 -2.49 116.57 119.09 1r1n h LYS 160 Ca -0.07 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.14 1r1n h LYS 160 Cb 1.73 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.56 1r1n h LYS 160 CO 0.16 0.64 -0.43 2.35 -2.27 0.00 0.00 179.45 179.90 1r1n h TRP 161 N 0.03 0.76 0.00 1.91 7.01 0.62 -2.59 115.95 123.70 1r1n h TRP 161 Ca -0.01 -0.29 -0.12 0.00 2.11 0.00 0.00 58.89 60.57 1r1n h TRP 161 Cb 1.09 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 28.00 1r1n h TRP 161 CO 0.00 1.06 -0.59 -0.07 -2.79 0.00 0.00 178.44 176.05 1r1n h LEU 162 N 0.25 0.00 -0.57 0.65 3.38 -1.43 -2.33 115.31 115.25 1r1n h LEU 162 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1r1n h LEU 162 Cb 1.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1r1n h LEU 162 CO 0.09 0.59 -0.57 0.11 0.09 0.00 0.00 178.44 178.75 1r1n h LYS 163 N 0.00 0.00 0.00 1.13 1.79 -1.48 -2.27 116.57 115.74 1r1n h LYS 163 Ca -0.01 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.33 1r1n h LYS 163 Cb 1.11 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.74 1r1n h LYS 163 CO 0.08 0.57 -0.63 0.78 -1.08 0.00 0.00 179.45 179.17 1r1n h GLY 164 N 2.39 0.00 1.78 3.86 0.00 -1.23 -3.21 103.07 106.67 1r1n h GLY 164 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 1r1n h GLY 164 CO 0.07 0.00 -0.73 1.41 0.00 0.00 0.00 176.54 177.30 1r1n h LEU 165 N 0.00 0.00 -0.29 3.11 3.38 -1.32 -2.70 115.31 117.50 1r1n h LEU 165 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1r1n h LEU 165 Cb 1.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 1r1n h LEU 165 CO 0.08 0.55 -0.24 0.50 0.09 0.00 0.00 178.44 179.42 1r1n h LYS 166 N 0.00 0.68 -0.00 1.13 1.63 -1.41 -1.12 116.57 117.48 1r1n h LYS 166 Ca -0.04 -0.34 0.00 0.00 -0.85 0.00 0.00 60.65 59.42 1r1n h LYS 166 Cb 1.45 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.08 1r1n h LYS 166 CO 0.07 0.95 -0.78 -1.91 -3.45 0.00 0.00 179.45 174.32 1r1n n GLU 167 N -4.30 0.21 -0.04 1.90 4.07 -1.22 -4.64 120.64 116.61 1r1n n GLU 167 Ca -0.04 -0.16 -0.09 0.00 -0.06 0.00 0.00 57.16 56.82 1r1n n GLU 167 Cb 0.44 -1.50 -0.03 0.00 -0.06 0.00 0.00 31.44 30.29 1r1n n GLU 167 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1r1n n TYR 168 N -1.26 0.00 -2.05 4.31 0.53 -1.02 -4.96 117.16 112.71 1r1n n TYR 168 Ca 0.05 0.00 -0.28 0.00 -1.02 0.00 0.00 57.90 56.65 1r1n n TYR 168 Cb 0.35 -0.30 0.13 0.00 -1.03 0.00 0.00 39.34 38.49 1r1n n TYR 168 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 1r1n s GLY 169 N -5.10 1.71 -0.09 2.72 0.00 -0.42 -1.01 107.32 105.12 1r1n s GLY 169 Ca -0.12 -1.06 0.03 0.00 0.00 0.00 0.00 44.72 43.57 1r1n s GLY 169 CO 0.15 -0.46 -0.18 1.25 0.00 0.00 0.00 173.10 173.86 1r1n s LYS 170 N -5.59 2.99 0.32 2.90 2.20 -0.48 -4.75 119.74 117.32 1r1n s LYS 170 Ca 0.67 -0.78 -0.26 0.00 -0.36 0.00 0.00 55.97 55.24 1r1n s LYS 170 Cb -0.07 -2.42 -0.10 0.00 -1.51 0.00 0.00 37.83 33.73 1r1n s LYS 170 CO 0.49 0.31 0.94 -1.25 -0.36 0.00 0.00 175.35 175.48 1r1n s PRO 171 N 0.07 4.59 0.07 4.03 0.04 -1.26 -1.90 135.00 140.64 1r1n s PRO 171 Ca -0.08 1.33 0.04 0.00 0.04 0.00 0.00 61.00 62.34 1r1n s PRO 171 Cb -0.15 -2.81 -0.03 0.00 0.04 0.00 0.00 34.50 31.55 1r1n s PRO 171 CO 0.05 0.28 -0.12 0.71 0.04 0.00 0.00 177.00 177.96 1r1n s TYR 172 N -1.61 1.11 0.13 0.56 2.02 -0.60 -4.93 117.35 114.04 1r1n s TYR 172 Ca 0.50 -0.50 -0.11 0.00 -0.37 0.00 0.00 57.07 56.58 1r1n s TYR 172 Cb -0.19 -0.62 -0.07 0.00 -0.40 0.00 0.00 41.96 40.69 1r1n s TYR 172 CO 0.24 0.03 1.44 0.00 -1.57 0.00 0.00 175.55 175.69 1r1n h ALA 173 N 4.17 0.52 -2.59 3.71 0.00 -1.97 -3.39 119.26 119.71 1r1n h ALA 173 Ca -0.39 -0.49 -0.19 0.00 0.00 0.00 0.00 54.91 53.85 1r1n h ALA 173 Cb 1.19 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.74 1r1n h ALA 173 CO 0.43 0.68 -0.52 0.15 0.00 0.00 0.00 179.25 179.98 1r1n s LYS 174 N -4.27 1.18 0.27 0.00 1.02 -1.26 -4.86 119.74 111.81 1r1n s LYS 174 Ca -0.11 -1.48 -0.01 0.00 0.02 0.00 0.00 55.97 54.40 1r1n s LYS 174 Cb 0.11 0.30 0.36 0.00 -0.52 0.00 0.00 37.83 38.08 1r1n s LYS 174 CO 0.89 -0.40 1.75 -0.91 -0.92 0.00 0.00 175.35 175.76 1r1n h ASN 175 N 2.62 0.68 -0.17 2.83 2.35 -1.97 -0.88 115.58 121.04 1r1n h ASN 175 Ca -0.34 -0.18 0.02 0.00 -0.55 0.00 0.00 56.30 55.25 1r1n h ASN 175 Cb 1.24 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 1r1n h ASN 175 CO 0.51 0.80 0.04 0.28 -1.65 0.00 0.00 177.43 177.41 1r1n h SER 176 N 0.64 0.02 -0.04 5.81 0.02 -1.97 0.98 113.55 119.02 1r1n h SER 176 Ca 0.12 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1r1n h SER 176 Cb 0.52 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 1r1n h SER 176 CO 0.03 0.04 0.00 0.58 -1.14 0.00 0.00 176.83 176.34 1r1n h VAL 177 N 0.11 1.25 -0.43 2.27 2.07 -1.92 -1.59 116.25 118.01 1r1n h VAL 177 Ca 0.07 -0.75 0.09 0.00 0.82 0.00 0.00 66.70 66.93 1r1n h VAL 177 Cb 0.06 1.69 -0.09 0.00 -1.52 0.00 0.00 31.29 31.42 1r1n h VAL 177 CO -0.09 0.20 -0.24 0.00 0.02 0.00 0.00 177.57 177.46 1r1n h ALA 178 N 0.71 0.04 0.69 1.67 0.00 -0.92 0.60 119.26 122.05 1r1n h ALA 178 Ca 0.01 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1r1n h ALA 178 Cb 0.33 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1r1n h ALA 178 CO 0.00 -0.60 -0.36 1.25 0.00 0.00 0.00 179.25 179.54 1r1n h LEU 179 N -0.16 -0.88 -2.01 0.00 5.85 -0.79 -2.44 115.31 114.87 1r1n h LEU 179 Ca 0.20 0.04 0.15 0.00 0.84 0.00 0.00 57.88 59.11 1r1n h LEU 179 Cb 0.47 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1r1n h LEU 179 CO -0.52 -0.60 0.41 1.56 -0.34 0.00 0.00 178.44 178.95 1r1n h GLN 180 N -0.97 0.00 -0.32 1.25 1.08 -0.59 0.19 115.11 115.75 1r1n h GLN 180 Ca -0.09 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.04 1r1n h GLN 180 Cb 0.76 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.17 1r1n h GLN 180 CO 0.13 0.00 -0.10 0.00 -0.95 0.00 0.00 178.83 177.91 1r1n h ALA 181 N 1.67 1.24 0.00 3.87 0.00 0.67 -2.17 119.26 124.54 1r1n h ALA 181 Ca 0.25 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1r1n h ALA 181 Cb 1.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1r1n h ALA 181 CO -0.00 0.50 -0.92 0.28 0.00 0.00 0.00 179.25 179.11 1r1n h VAL 182 N 0.49 0.28 -0.14 0.00 2.07 -0.52 1.20 116.25 119.62 1r1n h VAL 182 Ca 0.09 -1.48 -0.06 0.00 0.82 0.00 0.00 66.70 66.07 1r1n h VAL 182 Cb 0.47 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1r1n h VAL 182 CO 0.03 0.16 -0.15 -0.33 0.02 0.00 0.00 177.57 177.29 1r1n h GLU 183 N 0.00 0.35 0.00 1.57 4.39 -0.87 -3.18 114.58 116.84 1r1n h GLU 183 Ca -0.05 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1r1n h GLU 183 Cb 1.24 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1r1n h GLU 183 CO 0.02 0.75 -0.19 0.09 -1.16 0.00 0.00 179.01 178.53 1r1n n ASN 184 N -4.55 0.67 -0.06 1.42 3.02 -0.84 -4.75 115.26 110.17 1r1n n ASN 184 Ca -0.06 0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 1r1n n ASN 184 Cb 0.37 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 1r1n n ASN 184 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r1n n GLY 185 N 1.35 1.24 0.14 7.41 0.00 -1.09 -5.01 105.19 109.22 1r1n n GLY 185 Ca 0.05 -0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.04 1r1n n GLY 185 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1r1n h GLU 186 N 0.00 0.00 -2.79 1.61 5.08 0.12 -3.48 114.58 115.12 1r1n h GLU 186 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1r1n h GLU 186 Cb 0.18 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.30 1r1n h GLU 186 CO 0.00 0.04 0.25 -1.50 -1.00 0.00 0.00 179.01 176.80 1r1n s ILE 187 N -3.28 0.00 -0.01 3.13 2.07 -1.19 -4.99 121.20 116.93 1r1n s ILE 187 Ca 0.01 0.00 -0.23 0.00 -1.41 0.00 0.00 60.65 59.02 1r1n s ILE 187 Cb 0.08 -1.00 -0.14 0.00 0.13 0.00 0.00 42.46 41.53 1r1n s ILE 187 CO 0.77 0.00 1.03 0.44 -1.91 0.00 0.00 174.94 175.27 1r1n h ASP 188 N 2.10 -0.44 -3.09 4.50 5.19 -1.81 -3.39 116.42 119.48 1r1n h ASP 188 Ca -0.32 -0.13 -0.54 0.00 -0.62 0.00 0.00 57.03 55.43 1r1n h ASP 188 Cb 1.28 0.11 -0.13 0.00 0.18 0.00 0.00 39.33 40.77 1r1n h ASP 188 CO 0.37 -0.02 -0.54 0.00 -3.12 0.00 0.00 179.24 175.93 1r1n s ALA 189 N -4.48 2.83 -0.28 3.45 0.00 0.12 -1.43 121.76 121.96 1r1n s ALA 189 Ca -0.13 -1.38 -0.20 0.00 0.00 0.00 0.00 51.96 50.25 1r1n s ALA 189 Cb 0.01 0.72 0.12 0.00 0.00 0.00 0.00 23.12 23.98 1r1n s ALA 189 CO 0.45 -0.32 0.96 0.00 0.00 0.00 0.00 175.76 176.84 1r1n s ALA 190 N -3.23 -2.08 -0.37 0.00 0.00 -0.84 -1.53 121.76 113.71 1r1n s ALA 190 Ca 0.26 2.09 -0.27 0.00 0.00 0.00 0.00 51.96 54.03 1r1n s ALA 190 Cb 0.04 -1.54 0.02 0.00 0.00 0.00 0.00 23.12 21.63 1r1n s ALA 190 CO 0.14 -0.30 1.01 -0.51 0.00 0.00 0.00 175.76 176.10 1r1n s LEU 191 N 0.87 3.92 0.00 0.00 1.02 0.70 -2.32 118.68 122.86 1r1n s LEU 191 Ca -0.04 0.74 0.00 0.00 0.02 0.00 0.00 54.13 54.85 1r1n s LEU 191 Cb -0.04 -3.41 0.00 0.00 0.02 0.00 0.00 46.19 42.76 1r1n s LEU 191 CO -0.11 -0.92 0.00 2.30 0.02 0.00 0.00 176.35 177.64 1r1n n ILE 192 N 6.06 0.00 -4.18 -0.59 -5.35 -0.44 -4.51 119.36 110.35 1r1n n ILE 192 Ca 0.10 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.26 1r1n n ILE 192 Cb 0.48 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.30 1r1n n ILE 192 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1r1n s ASN 193 N 0.71 5.26 0.33 7.28 0.01 -1.26 -0.00 114.94 127.27 1r1n s ASN 193 Ca 0.00 -0.02 0.08 0.00 -0.71 0.00 0.00 52.86 52.21 1r1n s ASN 193 Cb 0.00 -1.38 0.59 0.00 0.41 0.00 0.00 41.25 40.87 1r1n s ASN 193 CO 0.00 0.23 1.79 -0.55 -1.51 0.00 0.00 177.10 177.06 1r1n h ASN 194 N 3.90 0.23 -0.61 -1.22 -1.07 -1.57 -2.92 115.58 112.32 1r1n h ASN 194 Ca -0.48 -0.08 -0.01 0.00 0.07 0.00 0.00 56.30 55.81 1r1n h ASN 194 Cb 1.17 -0.06 -0.03 0.00 -2.07 0.00 0.00 38.32 37.33 1r1n h ASN 194 CO 0.60 0.53 0.36 0.10 0.07 0.00 0.00 177.43 179.10 1r1n h TYR 195 N 0.20 0.83 0.00 4.14 -0.00 -1.84 -2.22 116.97 118.08 1r1n h TYR 195 Ca 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.75 1r1n h TYR 195 Cb 0.64 -0.27 -0.00 0.00 0.00 0.00 0.00 36.73 37.10 1r1n h TYR 195 CO 0.01 0.57 -0.01 1.88 -0.00 0.00 0.00 178.16 180.61 1r1n h TYR 196 N 0.87 0.00 0.00 0.10 0.99 -1.90 -3.27 116.97 113.76 1r1n h TYR 196 Ca 0.23 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.93 1r1n h TYR 196 Cb -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 37.72 1r1n h TYR 196 CO 0.00 0.01 -0.53 2.35 -0.00 0.00 0.00 178.16 179.99 1r1n h TRP 197 N 0.00 0.00 -0.98 4.88 7.01 -1.52 -3.37 115.95 121.97 1r1n h TRP 197 Ca -0.00 0.00 0.24 0.00 2.11 0.00 0.00 58.89 61.24 1r1n h TRP 197 Cb 0.01 0.00 -0.18 0.00 -2.10 0.00 0.00 29.16 26.89 1r1n h TRP 197 CO 0.00 0.17 -0.10 0.45 -2.79 0.00 0.00 178.44 176.18 1r1n h HIS 198 N -1.00 -0.27 -0.23 2.65 3.86 -1.61 1.26 115.15 119.81 1r1n h HIS 198 Ca -0.04 0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1r1n h HIS 198 Cb 0.54 0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.28 1r1n h HIS 198 CO -0.15 -0.43 0.04 0.00 0.86 0.00 0.00 177.93 178.25 1r1n h ALA 199 N 1.98 1.64 0.01 2.45 0.00 -1.79 0.10 119.26 123.65 1r1n h ALA 199 Ca 0.54 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1r1n h ALA 199 Cb 0.99 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1r1n h ALA 199 CO -0.96 0.28 -0.00 0.35 0.00 0.00 0.00 179.25 178.91 1r1n h PHE 200 N 0.33 -0.01 -0.60 0.00 3.57 0.13 -0.10 116.94 120.26 1r1n h PHE 200 Ca 0.08 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.67 1r1n h PHE 200 Cb 0.17 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.84 1r1n h PHE 200 CO 0.00 0.58 0.23 0.00 -2.23 0.00 0.00 178.31 176.90 1r1n h ALA 201 N 0.37 0.77 0.00 2.41 0.00 -0.46 0.18 119.26 122.53 1r1n h ALA 201 Ca -0.00 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1r1n h ALA 201 Cb 0.59 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1r1n h ALA 201 CO 0.00 -0.18 -0.17 -0.09 0.00 0.00 0.00 179.25 178.81 1r1n h ARG 202 N 0.42 0.00 0.58 0.00 2.43 -0.75 0.58 114.38 117.65 1r1n h ARG 202 Ca 0.30 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 1r1n h ARG 202 Cb 0.35 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1r1n h ARG 202 CO -0.29 0.17 -0.28 1.49 -1.51 0.00 0.00 179.97 179.55 1r1n h GLU 203 N 0.00 -0.76 0.19 0.20 4.81 0.13 -3.35 114.58 115.80 1r1n h GLU 203 Ca -0.00 0.05 -0.24 0.00 -0.13 0.00 0.00 59.36 59.04 1r1n h GLU 203 Cb 0.34 0.17 0.03 0.00 0.63 0.00 0.00 28.75 29.92 1r1n h GLU 203 CO 0.02 -0.50 -1.06 0.87 -0.73 0.00 0.00 179.01 177.60 1r1n h LYS 204 N -0.85 0.39 0.00 1.92 1.79 -1.46 -3.50 116.57 114.86 1r1n h LYS 204 Ca -0.08 -0.67 0.00 0.00 -2.18 0.00 0.00 60.65 57.72 1r1n h LYS 204 Cb 0.60 0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 1r1n h LYS 204 CO 0.13 1.32 0.00 0.41 -1.08 0.00 0.00 179.45 180.23 1r1n n GLY 205 N 1.69 4.04 0.48 3.86 0.00 0.20 -4.86 105.19 110.60 1r1n n GLY 205 Ca -0.15 -1.16 0.30 0.00 0.00 0.00 0.00 46.02 45.01 1r1n n GLY 205 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1r1n h VAL 206 N 0.00 0.50 0.00 1.61 3.04 -1.82 -0.62 116.25 118.96 1r1n h VAL 206 Ca 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 1r1n h VAL 206 Cb 0.00 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 29.72 1r1n h VAL 206 CO 0.00 0.01 0.00 0.00 -1.01 0.00 0.00 177.57 176.57 1r1n n GLN 207 N -4.28 0.75 -0.00 4.17 1.13 -1.26 -2.68 117.38 115.21 1r1n n GLN 207 Ca 0.22 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.29 1r1n n GLN 207 Cb 1.06 -1.42 -0.01 0.00 0.11 0.00 0.00 30.24 29.97 1r1n n GLN 207 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1r1n n ASN 208 N -0.92 1.46 -4.70 1.08 5.03 -0.24 -5.00 115.26 111.97 1r1n n ASN 208 Ca 0.15 -0.38 -0.42 0.00 0.87 0.00 0.00 54.58 54.80 1r1n n ASN 208 Cb 0.07 1.03 -0.03 0.00 -1.02 0.00 0.00 39.78 39.83 1r1n n ASN 208 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1r1n s VAL 209 N -1.50 4.35 -0.52 2.41 1.01 -1.09 -4.93 120.40 120.13 1r1n s VAL 209 Ca 0.00 1.68 0.24 0.00 0.00 0.00 0.00 61.98 63.90 1r1n s VAL 209 Cb 0.02 -4.08 0.15 0.00 0.00 0.00 0.00 36.38 32.47 1r1n s VAL 209 CO 0.09 0.08 1.42 0.45 0.00 0.00 0.00 175.10 177.14 1r1n h HIS 210 N 7.01 0.00 -2.36 5.22 3.86 -1.88 -3.47 115.15 123.54 1r1n h HIS 210 Ca -0.38 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.30 1r1n h HIS 210 Cb 1.20 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.61 1r1n h HIS 210 CO 0.69 0.00 -0.54 0.99 0.86 0.00 0.00 177.93 179.93 1r1n s THR 211 N -3.21 4.41 0.16 2.45 2.01 -1.26 -2.21 115.64 117.98 1r1n s THR 211 Ca 0.06 -1.33 -0.02 0.00 0.31 0.00 0.00 61.69 60.71 1r1n s THR 211 Cb 0.10 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 1r1n s THR 211 CO 0.70 -0.28 0.10 -0.13 -0.69 0.00 0.00 174.62 174.32 1r1n s ARG 212 N -3.61 1.03 -0.06 4.92 1.81 -0.86 -4.95 118.95 117.24 1r1n s ARG 212 Ca 0.32 -1.48 -0.01 0.00 -1.72 0.00 0.00 55.73 52.83 1r1n s ARG 212 Cb -0.08 0.26 -0.04 0.00 -0.45 0.00 0.00 34.95 34.64 1r1n s ARG 212 CO 0.24 -0.31 0.03 -0.51 -0.68 0.00 0.00 175.30 174.07 1r1n s LEU 213 N -3.08 3.72 -0.02 2.53 1.43 -1.26 -0.94 118.68 121.06 1r1n s LEU 213 Ca 0.28 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.57 1r1n s LEU 213 Cb 0.07 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 1r1n s LEU 213 CO 0.05 0.34 -0.10 0.21 0.23 0.00 0.00 176.35 177.08 1r1n s ASN 214 N -1.21 4.41 -0.20 2.29 3.04 0.21 -4.93 114.94 118.55 1r1n s ASN 214 Ca 0.17 -0.15 0.00 0.00 0.04 0.00 0.00 52.86 52.91 1r1n s ASN 214 Cb -0.12 -1.00 0.05 0.00 -1.54 0.00 0.00 41.25 38.64 1r1n s ASN 214 CO 0.06 0.32 -0.06 -0.36 -3.04 0.00 0.00 177.10 174.02 1r1n s PHE 215 N -0.88 2.06 0.09 0.43 0.40 -1.26 -2.13 117.98 116.68 1r1n s PHE 215 Ca 0.14 -1.41 -0.22 0.00 -0.60 0.00 0.00 56.93 54.84 1r1n s PHE 215 Cb -0.11 -1.46 -0.13 0.00 0.51 0.00 0.00 43.02 41.83 1r1n s PHE 215 CO 0.04 -0.70 1.68 -0.39 0.70 0.00 0.00 175.22 176.55 1r1n h VAL 216 N 6.49 1.08 0.00 -0.44 -1.51 -1.90 -3.48 116.25 116.49 1r1n h VAL 216 Ca -0.22 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1r1n h VAL 216 Cb 1.10 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.35 1r1n h VAL 216 CO 0.42 0.07 0.00 0.54 -1.23 0.00 0.00 177.57 177.37 1r1n n ARG 217 N -4.99 0.00 -3.41 5.19 1.74 -1.26 -4.92 116.66 109.01 1r1n n ARG 217 Ca -0.06 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.79 1r1n n ARG 217 Cb 0.07 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.46 1r1n n ARG 217 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1r1n n HIS 218 N 9.50 -0.71 -1.31 -1.55 1.44 -1.25 0.04 115.22 121.38 1r1n n HIS 218 Ca 0.00 0.40 -0.11 0.00 -2.01 0.00 0.00 57.72 56.00 1r1n n HIS 218 Cb 0.00 -1.29 -0.05 0.00 0.12 0.00 0.00 29.99 28.78 1r1n n HIS 218 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1r1n n ARG 219 N -2.79 -1.66 -1.67 -1.40 5.12 0.80 -4.96 116.66 110.10 1r1n n ARG 219 Ca -0.01 0.87 -0.34 0.00 -1.93 0.00 0.00 57.85 56.43 1r1n n ARG 219 Cb 0.32 -5.27 0.06 0.00 -1.16 0.00 0.00 32.46 26.41 1r1n n ARG 219 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1r1n s ASP 220 N -2.41 4.74 0.56 0.55 2.15 0.11 -4.32 116.67 118.05 1r1n s ASP 220 Ca 0.00 2.21 0.24 0.00 0.43 0.00 0.00 52.55 55.43 1r1n s ASP 220 Cb 0.00 -2.57 1.54 0.00 -0.30 0.00 0.00 42.92 41.58 1r1n s ASP 220 CO 0.00 -1.89 2.16 -0.65 -0.17 0.00 0.00 175.17 174.62 1r1n h PRO 221 N 0.04 0.00 -0.39 4.34 0.11 -1.93 -0.23 132.00 133.94 1r1n h PRO 221 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1r1n h PRO 221 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1r1n h PRO 221 CO 0.52 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.72 1r1n n GLY 222 N -1.45 0.44 1.07 -0.55 0.00 -1.26 -3.30 105.19 100.13 1r1n n GLY 222 Ca -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 1r1n n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r1n n ALA 223 N 0.08 4.18 -1.76 4.61 0.00 -0.10 -4.51 120.51 123.02 1r1n n ALA 223 Ca 0.06 -3.37 -0.40 0.00 0.00 0.00 0.00 53.44 49.73 1r1n n ALA 223 Cb 0.25 -0.49 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 1r1n n ALA 223 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1r1n s LEU 224 N -3.33 4.54 -0.17 0.00 2.96 -1.21 -4.00 118.68 117.48 1r1n s LEU 224 Ca 0.43 2.31 0.01 0.00 -0.22 0.00 0.00 54.13 56.66 1r1n s LEU 224 Cb 0.39 -3.63 0.02 0.00 0.50 0.00 0.00 46.19 43.47 1r1n s LEU 224 CO -0.03 -0.17 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.94 1r1n s VAL 225 N -1.16 2.16 0.05 1.68 1.01 -1.26 -1.72 120.40 121.16 1r1n s VAL 225 Ca 0.45 -0.92 -0.22 0.00 0.00 0.00 0.00 61.98 61.30 1r1n s VAL 225 Cb -0.33 -1.90 -0.06 0.00 0.00 0.00 0.00 36.38 34.09 1r1n s VAL 225 CO 0.42 0.53 0.64 -0.89 0.00 0.00 0.00 175.10 175.80 1r1n s THR 226 N 1.18 4.75 0.18 3.92 2.01 0.22 -4.83 115.64 123.06 1r1n s THR 226 Ca 0.02 1.36 0.04 0.00 0.31 0.00 0.00 61.69 63.43 1r1n s THR 226 Cb -0.14 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1r1n s THR 226 CO -0.09 0.47 0.22 -0.31 -0.69 0.00 0.00 174.62 174.22 1r1n s TYR 227 N -0.59 3.31 0.22 4.92 1.51 -1.26 0.16 117.35 125.61 1r1n s TYR 227 Ca 0.32 0.02 0.09 0.00 -1.01 0.00 0.00 57.07 56.50 1r1n s TYR 227 Cb -0.20 -1.57 -0.05 0.00 -0.11 0.00 0.00 41.96 40.04 1r1n s TYR 227 CO 0.20 0.51 -0.17 0.45 -1.11 0.00 0.00 175.55 175.43 1r1n s SER 228 N -3.32 2.87 0.07 2.29 0.15 -0.94 -3.45 113.70 111.38 1r1n s SER 228 Ca 0.33 -0.99 -0.26 0.00 0.70 0.00 0.00 55.95 55.73 1r1n s SER 228 Cb -0.10 -0.18 0.09 0.00 -1.71 0.00 0.00 66.02 64.11 1r1n s SER 228 CO 0.26 -0.09 1.18 -0.83 1.20 0.00 0.00 173.24 174.96 1r1n s GLY 229 N -3.23 -0.01 0.10 9.45 0.00 0.12 0.37 107.32 114.11 1r1n s GLY 229 Ca 0.23 -0.14 -0.07 0.00 0.00 0.00 0.00 44.72 44.74 1r1n s GLY 229 CO 0.09 4.24 0.17 0.00 0.00 0.00 0.00 173.10 177.60 1r1n s ALA 230 N -2.07 -0.04 0.09 3.20 0.00 -0.89 0.07 121.76 122.13 1r1n s ALA 230 Ca 0.26 -0.78 -0.10 0.00 0.00 0.00 0.00 51.96 51.34 1r1n s ALA 230 Cb -0.01 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.66 1r1n s ALA 230 CO 0.02 -0.52 0.23 0.00 0.00 0.00 0.00 175.76 175.49 1r1n s ALA 231 N -3.90 -0.36 -0.15 0.00 0.00 -0.86 -2.00 121.76 114.50 1r1n s ALA 231 Ca 0.08 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 1r1n s ALA 231 Cb 0.05 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.66 1r1n s ALA 231 CO -0.08 -0.53 -0.01 0.54 0.00 0.00 0.00 175.76 175.68 1r1n s VAL 232 N -3.81 4.20 0.47 0.00 0.11 -1.26 -0.38 120.40 119.73 1r1n s VAL 232 Ca 0.04 -0.26 -0.21 0.00 -2.93 0.00 0.00 61.98 58.63 1r1n s VAL 232 Cb 0.04 -2.84 -0.08 0.00 -1.53 0.00 0.00 36.38 31.97 1r1n s VAL 232 CO -0.11 0.51 1.05 -0.76 -3.33 0.00 0.00 175.10 172.46 1r1n s LEU 233 N 0.09 3.90 0.44 2.54 1.02 -0.58 -0.15 118.68 125.95 1r1n s LEU 233 Ca 0.01 1.97 0.24 0.00 0.02 0.00 0.00 54.13 56.37 1r1n s LEU 233 Cb -0.13 -4.48 0.65 0.00 0.02 0.00 0.00 46.19 42.25 1r1n s LEU 233 CO 0.02 -0.74 1.71 0.07 0.02 0.00 0.00 176.35 177.43 1r1n h LYS 234 N 1.74 0.00 -0.00 1.70 5.09 -1.59 -2.81 116.57 120.70 1r1n h LYS 234 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.25 1r1n h LYS 234 Cb 1.22 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.55 1r1n h LYS 234 CO 0.60 0.14 -0.10 -1.13 -2.09 0.00 0.00 179.45 176.86 1r1n n SER 235 N -3.18 0.35 -4.66 7.07 3.41 -1.26 -4.92 113.62 110.42 1r1n n SER 235 Ca 0.02 -0.40 -0.54 0.00 -0.26 0.00 0.00 58.87 57.68 1r1n n SER 235 Cb 0.49 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.25 1r1n n SER 235 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1r1n n SER 236 N -1.09 2.22 -0.58 4.04 2.88 -1.06 -4.88 113.62 115.14 1r1n n SER 236 Ca 0.13 1.08 0.13 0.00 -1.33 0.00 0.00 58.87 58.89 1r1n n SER 236 Cb 0.28 -1.18 0.41 0.00 -0.75 0.00 0.00 64.21 62.97 1r1n n SER 236 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r1n n GLN 237 N 4.36 1.78 -2.63 -1.46 1.13 -1.26 -3.84 117.38 115.47 1r1n n GLN 237 Ca 0.23 -1.17 -0.08 0.00 -1.94 0.00 0.00 57.00 54.04 1r1n n GLN 237 Cb 0.17 -1.48 0.04 0.00 0.11 0.00 0.00 30.24 29.08 1r1n n GLN 237 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1r1n n ASN 238 N 0.42 2.40 0.00 1.08 4.13 -1.26 -5.04 115.26 116.99 1r1n n ASN 238 Ca 0.17 -2.58 0.00 0.00 1.68 0.00 0.00 54.58 53.86 1r1n n ASN 238 Cb 0.41 -0.46 0.00 0.00 -1.54 0.00 0.00 39.78 38.19 1r1n n ASN 238 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1r1n n LYS 239 N -0.53 0.00 0.27 3.52 4.81 -1.25 -0.23 118.16 124.75 1r1n n LYS 239 Ca 0.17 0.17 0.18 0.00 -0.87 0.00 0.00 58.31 57.95 1r1n n LYS 239 Cb 0.83 -0.47 0.95 0.00 0.02 0.00 0.00 35.03 36.36 1r1n n LYS 239 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1r1n h ASP 240 N 0.00 0.00 0.85 3.14 2.03 -1.96 0.59 116.42 121.07 1r1n h ASP 240 Ca 0.00 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.11 1r1n h ASP 240 Cb 0.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 1r1n h ASP 240 CO 0.00 0.00 -0.90 -0.08 -1.03 0.00 0.00 179.24 177.23 1r1n h GLU 241 N 0.00 0.03 0.00 4.15 4.81 -1.68 -2.34 114.58 119.55 1r1n h GLU 241 Ca 0.00 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.02 1r1n h GLU 241 Cb 0.06 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1r1n h GLU 241 CO 0.00 0.91 -1.11 0.00 -0.73 0.00 0.00 179.01 178.08 1r1n h ALA 242 N 1.07 0.63 0.00 2.92 0.00 0.32 -3.22 119.26 120.98 1r1n h ALA 242 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1r1n h ALA 242 Cb 1.59 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1r1n h ALA 242 CO 0.12 0.95 0.00 1.63 0.00 0.00 0.00 179.25 181.95 1r1n n LYS 243 N -3.07 0.24 0.00 0.00 5.02 0.11 -1.95 118.16 118.50 1r1n n LYS 243 Ca -0.06 0.26 0.13 0.00 -2.02 0.00 0.00 58.31 56.62 1r1n n LYS 243 Cb 0.85 -1.81 0.33 0.00 -0.02 0.00 0.00 35.03 34.37 1r1n n LYS 243 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1r1n n LYS 244 N -2.24 0.82 -0.07 1.97 4.01 -0.89 -3.10 118.16 118.67 1r1n n LYS 244 Ca 0.05 -0.51 -0.22 0.00 -0.51 0.00 0.00 58.31 57.12 1r1n n LYS 244 Cb 0.38 -1.49 -0.13 0.00 -0.51 0.00 0.00 35.03 33.29 1r1n n LYS 244 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1r1n n PHE 245 N -0.64 0.75 0.04 2.13 7.35 -0.82 -3.17 117.46 123.09 1r1n n PHE 245 Ca 0.11 0.20 -0.05 0.00 -0.76 0.00 0.00 57.45 56.95 1r1n n PHE 245 Cb 0.36 -1.09 0.14 0.00 0.35 0.00 0.00 39.48 39.24 1r1n n PHE 245 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1r1n h VAL 246 N -0.26 1.32 -0.37 -2.13 2.07 -1.64 -2.33 116.25 112.91 1r1n h VAL 246 Ca -0.48 -1.63 -0.06 0.00 0.82 0.00 0.00 66.70 65.35 1r1n h VAL 246 Cb 1.82 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 33.26 1r1n h VAL 246 CO -0.07 0.50 -0.01 0.00 0.02 0.00 0.00 177.57 178.01 1r1n h ALA 247 N 1.19 1.29 -0.46 1.67 0.00 -1.70 -2.57 119.26 118.69 1r1n h ALA 247 Ca 0.02 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1r1n h ALA 247 Cb 0.92 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1r1n h ALA 247 CO 0.08 0.48 -0.15 0.35 0.00 0.00 0.00 179.25 180.01 1r1n h PHE 248 N 0.56 0.97 0.00 0.00 3.57 -1.39 -2.83 116.94 117.81 1r1n h PHE 248 Ca 0.12 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1r1n h PHE 248 Cb 0.37 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1r1n h PHE 248 CO 0.01 0.95 0.00 1.28 -2.23 0.00 0.00 178.31 178.32 1r1n n LEU 249 N -4.14 0.44 -0.05 0.59 4.77 -0.95 -2.26 117.00 115.40 1r1n n LEU 249 Ca 0.01 0.62 -0.04 0.00 -0.03 0.00 0.00 56.01 56.57 1r1n n LEU 249 Cb 0.40 -0.58 -0.14 0.00 -2.33 0.00 0.00 43.42 40.77 1r1n n LEU 249 CO 0.44 -0.52 -0.83 0.00 -1.33 0.00 0.00 177.39 175.15 1r1n n ALA 250 N -1.68 1.79 -1.96 -1.18 0.00 -1.07 -4.22 120.51 112.19 1r1n n ALA 250 Ca 0.02 -0.97 -0.25 0.00 0.00 0.00 0.00 53.44 52.24 1r1n n ALA 250 Cb 0.18 -0.52 0.11 0.00 0.00 0.00 0.00 19.45 19.21 1r1n n ALA 250 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1r1n s GLY 251 N -5.14 1.75 0.17 0.00 0.00 -1.18 -4.72 107.32 98.21 1r1n s GLY 251 Ca -0.07 -1.36 -0.18 0.00 0.00 0.00 0.00 44.72 43.11 1r1n s GLY 251 CO 0.84 -0.81 1.64 0.50 0.00 0.00 0.00 173.10 175.27 1r1n h LYS 252 N -0.75 -0.08 -0.67 2.90 1.57 -1.93 0.50 116.57 118.10 1r1n h LYS 252 Ca -0.41 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.46 1r1n h LYS 252 Cb 1.28 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 33.50 1r1n h LYS 252 CO 0.46 -0.05 -0.51 0.93 -0.57 0.00 0.00 179.45 179.71 1r1n h GLU 253 N -0.08 -0.19 -0.13 3.15 4.39 -1.94 1.85 114.58 121.62 1r1n h GLU 253 Ca 0.20 0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.83 1r1n h GLU 253 Cb 0.40 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1r1n h GLU 253 CO -0.47 -0.13 -0.25 0.78 -1.16 0.00 0.00 179.01 177.77 1r1n h GLY 254 N -0.20 0.44 0.85 -3.84 0.00 -0.98 -2.32 103.07 97.03 1r1n h GLY 254 Ca 0.16 -0.52 0.02 0.00 0.00 0.00 0.00 47.33 46.99 1r1n h GLY 254 CO -0.75 0.47 0.23 1.46 0.00 0.00 0.00 176.54 177.95 1r1n h GLN 255 N -0.00 0.45 -0.49 4.80 1.08 0.61 -1.61 115.11 119.95 1r1n h GLN 255 Ca 0.01 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1r1n h GLN 255 Cb 0.84 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.15 1r1n h GLN 255 CO 0.06 0.30 0.22 -0.09 -0.95 0.00 0.00 178.83 178.37 1r1n h ARG 256 N 0.47 0.69 -0.30 1.46 2.43 0.28 0.88 114.38 120.30 1r1n h ARG 256 Ca 0.17 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1r1n h ARG 256 Cb 0.04 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1r1n h ARG 256 CO -0.10 0.56 0.11 0.00 -1.51 0.00 0.00 179.97 179.02 1r1n h ALA 257 N 1.55 0.39 -0.24 2.80 0.00 -0.76 -1.65 119.26 121.35 1r1n h ALA 257 Ca 0.17 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1r1n h ALA 257 Cb 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1r1n h ALA 257 CO -0.02 0.01 0.03 1.25 0.00 0.00 0.00 179.25 180.52 1r1n h LEU 258 N 0.33 0.39 -0.74 0.00 5.85 -0.90 -3.13 115.31 117.12 1r1n h LEU 258 Ca 0.10 -0.27 0.16 0.00 0.84 0.00 0.00 57.88 58.71 1r1n h LEU 258 Cb 0.22 -0.10 -0.11 0.00 0.37 0.00 0.00 40.66 41.03 1r1n h LEU 258 CO -0.01 0.56 0.17 0.74 -0.34 0.00 0.00 178.44 179.57 1r1n h THR 259 N 0.21 0.50 0.00 1.05 2.02 -0.67 0.45 112.91 116.47 1r1n h THR 259 Ca 0.07 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1r1n h THR 259 Cb 0.34 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1r1n h THR 259 CO 0.01 0.05 -0.03 0.00 0.37 0.00 0.00 175.52 175.91 1r1n h ALA 260 N 1.62 1.32 0.00 6.16 0.00 -1.24 -3.32 119.26 123.80 1r1n h ALA 260 Ca 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1r1n h ALA 260 Cb 0.72 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1r1n h ALA 260 CO -0.52 0.04 -0.72 1.33 0.00 0.00 0.00 179.25 179.37 1r1n n VAL 261 N -3.59 0.00 -4.30 0.00 0.24 -0.76 -4.93 118.33 104.99 1r1n n VAL 261 Ca -0.03 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.93 1r1n n VAL 261 Cb 0.13 -0.39 -0.14 0.00 -1.47 0.00 0.00 33.84 31.97 1r1n n VAL 261 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1r1n s ARG 262 N -1.64 3.43 0.00 7.34 6.06 0.15 -4.96 118.95 129.34 1r1n s ARG 262 Ca 0.00 -0.63 -0.01 0.00 -2.50 0.00 0.00 55.73 52.59 1r1n s ARG 262 Cb 0.00 -2.85 -0.04 0.00 0.06 0.00 0.00 34.95 32.12 1r1n s ARG 262 CO 0.00 0.02 1.29 0.00 -2.50 0.00 0.00 175.30 174.11 1r1n n ALA 263 N 4.13 2.99 -2.82 6.12 0.00 -1.26 -4.38 120.51 125.29 1r1n n ALA 263 Ca -0.18 -0.26 -0.29 0.00 0.00 0.00 0.00 53.44 52.71 1r1n n ALA 263 Cb 0.52 -1.73 -0.05 0.00 0.00 0.00 0.00 19.45 18.18 1r1n n ALA 263 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1r1n s GLU 264 N 1.30 3.03 -0.33 0.00 2.02 -1.26 -4.41 118.70 119.05 1r1n s GLU 264 Ca 0.09 -0.70 -0.26 0.00 0.02 0.00 0.00 54.97 54.12 1r1n s GLU 264 Cb 0.05 -2.77 0.01 0.00 0.10 0.00 0.00 34.13 31.52 1r1n s GLU 264 CO 0.00 0.54 0.94 0.71 0.02 0.00 0.00 175.26 177.47 1r1n s TYR 265 N -1.56 3.15 0.41 1.61 1.51 -0.85 -4.85 117.35 116.78 1r1n s TYR 265 Ca 0.31 0.97 -0.25 0.00 -1.01 0.00 0.00 57.07 57.08 1r1n s TYR 265 Cb -0.11 -3.52 -0.08 0.00 -0.11 0.00 0.00 41.96 38.13 1r1n s TYR 265 CO 0.24 -0.71 1.26 -2.14 -1.11 0.00 0.00 175.55 173.08 1r1n s PRO 266 N 3.38 3.94 0.00 -1.71 0.02 -1.26 -0.93 135.00 138.44 1r1n s PRO 266 Ca 0.39 2.05 0.25 0.00 0.02 0.00 0.00 61.00 63.71 1r1n s PRO 266 Cb -0.13 -2.69 0.51 0.00 0.02 0.00 0.00 34.50 32.21 1r1n s PRO 266 CO 0.15 -0.48 1.42 1.28 -0.33 0.00 0.00 177.00 179.04 1r1n n LEU 267 N 0.03 1.75 -4.41 -5.54 4.77 -0.71 -4.67 117.00 108.22 1r1n n LEU 267 Ca 0.04 -0.58 -0.44 0.00 -0.03 0.00 0.00 56.01 55.00 1r1n n LEU 267 Cb 0.45 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.42 1r1n n LEU 267 CO 0.54 0.31 0.12 0.21 -1.33 0.00 0.00 177.39 177.24 1r1n s ASN 268 N -2.30 6.17 0.00 -1.43 3.84 -1.26 -4.60 114.94 115.36 1r1n s ASN 268 Ca 0.26 -1.16 0.00 0.00 0.21 0.00 0.00 52.86 52.17 1r1n s ASN 268 Cb 0.19 -2.22 0.00 0.00 -0.55 0.00 0.00 41.25 38.68 1r1n s ASN 268 CO 0.46 -0.71 0.68 -0.81 -2.79 0.00 0.00 177.10 173.92 1r1n n PRO 269 N 5.51 0.00 -0.02 0.43 -0.04 -1.26 -2.32 135.00 137.30 1r1n n PRO 269 Ca -0.10 0.18 0.13 0.00 -0.04 0.00 0.00 63.50 63.67 1r1n n PRO 269 Cb 0.44 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 32.96 1r1n n PRO 269 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1r1n n HIS 270 N -1.18 0.04 -5.21 0.54 8.25 -1.26 -4.87 115.22 111.54 1r1n n HIS 270 Ca 0.00 -0.02 -0.32 0.00 -0.26 0.00 0.00 57.72 57.12 1r1n n HIS 270 Cb 0.00 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 30.95 1r1n n HIS 270 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1r1n s VAL 271 N -1.96 2.19 -0.15 1.59 1.01 -0.98 -4.97 120.40 117.14 1r1n s VAL 271 Ca 0.38 -1.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 1r1n s VAL 271 Cb 0.20 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1r1n s VAL 271 CO 0.32 0.57 0.09 -0.69 0.00 0.00 0.00 175.10 175.39 1r1n s VAL 272 N -0.23 5.03 0.82 2.92 1.01 -1.26 -4.93 120.40 123.76 1r1n s VAL 272 Ca -0.01 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 1r1n s VAL 272 Cb -0.13 -3.22 0.09 0.00 0.00 0.00 0.00 36.38 33.12 1r1n s VAL 272 CO 0.03 0.54 1.11 -0.55 0.00 0.00 0.00 175.10 176.23 1r1n s SER 273 N -0.34 4.27 0.00 3.32 0.15 -1.26 -4.93 113.70 114.91 1r1n s SER 273 Ca 0.10 1.18 0.21 0.00 0.70 0.00 0.00 55.95 58.14 1r1n s SER 273 Cb -0.12 -1.87 0.19 0.00 -1.71 0.00 0.00 66.02 62.51 1r1n s SER 273 CO 0.01 -2.10 1.19 0.35 1.20 0.00 0.00 173.24 173.90 1r1n n THR 274 N -3.50 0.04 -4.29 6.45 -2.24 -1.25 -4.91 114.28 104.58 1r1n n THR 274 Ca 0.07 -0.52 -0.27 0.00 -2.27 0.00 0.00 64.05 61.06 1r1n n THR 274 Cb 0.57 1.41 -0.09 0.00 -2.10 0.00 0.00 70.33 70.12 1r1n n THR 274 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1r1n s PHE 275 N -1.75 2.63 -1.21 4.78 0.40 -1.26 -5.04 117.98 116.53 1r1n s PHE 275 Ca 0.26 -0.22 -0.21 0.00 -0.60 0.00 0.00 56.93 56.15 1r1n s PHE 275 Cb 0.18 -1.28 -0.03 0.00 0.51 0.00 0.00 43.02 42.40 1r1n s PHE 275 CO 0.27 0.52 1.86 -0.80 0.70 0.00 0.00 175.22 177.77 1r1n s ASN 276 N -2.88 5.66 -0.13 1.36 0.01 -1.26 -4.89 114.94 112.81 1r1n s ASN 276 Ca 0.25 -1.89 0.02 0.00 -0.71 0.00 0.00 52.86 50.54 1r1n s ASN 276 Cb -0.09 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.00 1r1n s ASN 276 CO 0.15 -2.41 -0.20 -0.76 -1.51 0.00 0.00 177.10 172.38 1r1n s LEU 277 N 8.62 1.98 0.80 0.60 1.43 -1.26 -5.13 118.68 125.72 1r1n s LEU 277 Ca 0.63 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 53.08 1r1n s LEU 277 Cb 0.01 -1.33 0.07 0.00 0.03 0.00 0.00 46.19 44.97 1r1n s LEU 277 CO 0.11 0.06 1.09 -1.83 0.23 0.00 0.00 176.35 176.01 1r1n s GLU 278 N 0.85 2.04 0.21 1.70 1.03 -1.26 -4.86 118.70 118.42 1r1n s GLU 278 Ca -0.07 1.13 -0.32 0.00 0.03 0.00 0.00 54.97 55.74 1r1n s GLU 278 Cb -0.15 -1.88 -0.14 0.00 -0.80 0.00 0.00 34.13 31.16 1r1n s GLU 278 CO -0.01 -1.78 1.40 -2.30 -1.33 0.00 0.00 175.26 171.24 1r1n n PRO 279 N -3.61 1.92 -0.06 -4.83 -0.02 -1.26 -4.77 135.00 122.37 1r1n n PRO 279 Ca 0.09 0.68 0.25 0.00 -2.02 0.00 0.00 63.50 62.50 1r1n n PRO 279 Cb 0.53 -2.34 0.64 0.00 -0.02 0.00 0.00 33.50 32.31 1r1n n PRO 279 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1r1n h ILE 280 N 3.11 0.22 0.00 4.25 2.10 -1.91 0.92 117.51 126.20 1r1n h ILE 280 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.49 1r1n h ILE 280 Cb 1.28 0.39 0.00 0.00 -1.09 0.00 0.00 36.82 37.40 1r1n h ILE 280 CO 0.77 0.00 -0.03 0.00 -1.08 0.00 0.00 178.15 177.81 1r1n n ALA 281 N -2.33 2.35 0.11 0.18 0.00 -1.26 -3.29 120.51 116.26 1r1n n ALA 281 Ca 0.15 -0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.53 1r1n n ALA 281 Cb 1.02 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 19.00 1r1n n ALA 281 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1r1n h LYS 282 N 0.00 0.00 0.00 0.00 1.63 0.56 -3.27 116.57 115.49 1r1n h LYS 282 Ca 0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1r1n h LYS 282 Cb 0.63 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1r1n h LYS 282 CO 0.00 0.52 -0.01 -0.07 -3.45 0.00 0.00 179.45 176.45 1r1n h LEU 283 N 0.00 0.00 -2.07 5.20 3.38 -1.59 -3.47 115.31 116.76 1r1n h LEU 283 Ca -0.03 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.46 1r1n h LEU 283 Cb 1.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.20 1r1n h LEU 283 CO 0.07 0.01 -0.89 -0.62 0.09 0.00 0.00 178.44 177.10 1r1n n GLU 284 N -3.33 -3.26 -2.46 1.13 1.02 -1.24 -4.25 120.64 108.26 1r1n n GLU 284 Ca -0.03 0.44 -0.39 0.00 -0.02 0.00 0.00 57.16 57.17 1r1n n GLU 284 Cb 0.09 -4.56 -0.04 0.00 -0.02 0.00 0.00 31.44 26.91 1r1n n GLU 284 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1r1n s ALA 285 N -3.85 3.27 0.51 0.62 0.00 -1.26 -0.14 121.76 120.90 1r1n s ALA 285 Ca 0.06 0.86 -0.21 0.00 0.00 0.00 0.00 51.96 52.67 1r1n s ALA 285 Cb -0.02 -3.32 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 1r1n s ALA 285 CO 0.87 -0.25 1.14 -1.25 0.00 0.00 0.00 175.76 176.27 1r1n s PRO 286 N -1.92 3.52 -0.10 0.00 0.04 -1.26 -4.77 135.00 130.51 1r1n s PRO 286 Ca 0.51 1.67 -0.25 0.00 0.04 0.00 0.00 61.00 62.97 1r1n s PRO 286 Cb -0.29 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.06 1r1n s PRO 286 CO 0.37 -0.72 0.78 -0.65 0.04 0.00 0.00 177.00 176.81 1r1n s GLN 287 N -3.06 4.39 0.06 4.56 -0.21 -1.26 -4.83 119.66 119.31 1r1n s GLN 287 Ca 0.69 0.98 -0.00 0.00 0.02 0.00 0.00 55.36 57.05 1r1n s GLN 287 Cb -0.25 -3.50 -0.04 0.00 1.00 0.00 0.00 33.01 30.21 1r1n s GLN 287 CO 0.30 -0.11 -0.04 0.08 -2.12 0.00 0.00 175.29 173.39 1r1n s VAL 288 N 1.38 0.36 0.45 1.09 1.01 -1.26 -5.07 120.40 118.35 1r1n s VAL 288 Ca 0.39 -1.76 -0.10 0.00 0.00 0.00 0.00 61.98 60.51 1r1n s VAL 288 Cb -0.18 -1.45 -0.06 0.00 0.00 0.00 0.00 36.38 34.70 1r1n s VAL 288 CO 0.17 -0.91 0.82 -0.94 0.00 0.00 0.00 175.10 174.24 1r1n s SER 289 N -2.81 6.47 0.64 3.32 1.04 -1.26 -5.01 113.70 116.09 1r1n s SER 289 Ca 0.06 1.17 -0.17 0.00 0.48 0.00 0.00 55.95 57.49 1r1n s SER 289 Cb 0.05 -2.34 -0.01 0.00 0.10 0.00 0.00 66.02 63.82 1r1n s SER 289 CO -0.08 -0.49 1.21 0.00 0.98 0.00 0.00 173.24 174.86 1r1n s ALA 290 N -2.53 2.42 0.25 5.32 0.00 -1.26 -4.95 121.76 121.01 1r1n s ALA 290 Ca 0.52 0.96 -0.30 0.00 0.00 0.00 0.00 51.96 53.14 1r1n s ALA 290 Cb -0.10 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.47 1r1n s ALA 290 CO 0.35 -1.39 1.17 0.99 0.00 0.00 0.00 175.76 176.89 1r1n s THR 291 N -1.74 3.40 0.48 0.00 2.01 -1.26 -5.04 115.64 113.48 1r1n s THR 291 Ca 0.76 1.31 0.06 0.00 0.31 0.00 0.00 61.69 64.13 1r1n s THR 291 Cb -0.30 -3.83 0.08 0.00 0.01 0.00 0.00 72.50 68.46 1r1n s THR 291 CO 0.37 0.27 0.66 0.35 -0.69 0.00 0.00 174.62 175.58 1r1n n THR 292 N 1.64 0.00 -0.06 -0.82 -2.24 -1.26 -4.77 114.28 106.76 1r1n n THR 292 Ca 0.01 -1.43 -0.12 0.00 -2.27 0.00 0.00 64.05 60.24 1r1n n THR 292 Cb 0.44 -0.71 -0.05 0.00 -2.10 0.00 0.00 70.33 67.90 1r1n n THR 292 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1r1n h VAL 293 N -0.07 1.26 -0.29 2.28 2.07 -2.00 -3.02 116.25 116.49 1r1n h VAL 293 Ca -0.22 -0.91 -0.15 0.00 0.82 0.00 0.00 66.70 66.24 1r1n h VAL 293 Cb 0.96 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1r1n h VAL 293 CO 0.29 0.28 -0.40 0.28 0.02 0.00 0.00 177.57 178.04 1r1n h SER 294 N 0.09 0.85 0.23 0.57 0.02 -1.99 -3.00 113.55 110.32 1r1n h SER 294 Ca 0.05 -0.51 -0.01 0.00 -0.84 0.00 0.00 61.79 60.48 1r1n h SER 294 Cb 0.42 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 1r1n h SER 294 CO 0.01 1.19 -0.07 -0.33 -1.14 0.00 0.00 176.83 176.49 1r1n h GLU 295 N 0.54 0.00 0.13 3.45 5.08 -1.95 0.11 114.58 121.93 1r1n h GLU 295 Ca 0.03 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.11 1r1n h GLU 295 Cb 1.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.26 1r1n h GLU 295 CO 0.09 0.07 -1.23 -0.22 -1.00 0.00 0.00 179.01 176.72 1r1n h LYS 296 N 0.00 0.34 0.00 2.33 3.64 -1.50 -2.64 116.57 118.74 1r1n h LYS 296 Ca -0.00 -0.54 -0.07 0.00 -1.27 0.00 0.00 60.65 58.77 1r1n h LYS 296 Cb 0.20 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1r1n h LYS 296 CO 0.01 1.24 -0.32 1.49 -2.27 0.00 0.00 179.45 179.60 1r1n h GLU 297 N 0.11 0.00 -0.05 1.90 4.57 -1.01 -0.72 114.58 119.38 1r1n h GLU 297 Ca -0.15 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 57.94 1r1n h GLU 297 Cb 1.94 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.54 1r1n h GLU 297 CO 0.21 0.32 -0.34 1.25 -1.18 0.00 0.00 179.01 179.26 1r1n h HIS 298 N 0.00 0.44 -0.56 0.92 2.76 -0.82 -1.04 115.15 116.85 1r1n h HIS 298 Ca -0.00 -0.20 -0.07 0.00 -2.20 0.00 0.00 60.37 57.89 1r1n h HIS 298 Cb 0.73 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.60 1r1n h HIS 298 CO 0.00 0.96 0.05 0.00 -1.30 0.00 0.00 177.93 177.64 1r1n h ALA 299 N 0.39 1.03 -0.40 5.26 0.00 -1.30 -1.01 119.26 123.24 1r1n h ALA 299 Ca -0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1r1n h ALA 299 Cb 1.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1r1n h ALA 299 CO 0.07 0.61 -0.07 1.15 0.00 0.00 0.00 179.25 181.01 1r1n h THR 300 N 0.87 1.27 -0.12 0.00 2.02 -1.13 -1.23 112.91 114.59 1r1n h THR 300 Ca 0.17 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.21 1r1n h THR 300 Cb 0.44 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1r1n h THR 300 CO 0.02 0.38 0.08 0.03 0.37 0.00 0.00 175.52 176.40 1r1n h ARG 301 N 0.57 0.16 0.00 6.66 2.47 -0.89 -0.93 114.38 122.42 1r1n h ARG 301 Ca 0.10 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 1r1n h ARG 301 Cb 0.58 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.86 1r1n h ARG 301 CO 0.03 0.12 -0.07 -0.07 0.56 0.00 0.00 179.97 180.55 1r1n h LEU 302 N 0.15 0.00 0.18 3.04 3.38 -1.09 -1.16 115.31 119.80 1r1n h LEU 302 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1r1n h LEU 302 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1r1n h LEU 302 CO -0.01 0.07 -0.08 -0.07 0.09 0.00 0.00 178.44 178.44 1r1n h LEU 303 N 0.00 -0.20 -1.21 1.67 3.38 -0.32 -1.69 115.31 116.95 1r1n h LEU 303 Ca -0.00 0.01 0.33 0.00 0.09 0.00 0.00 57.88 58.31 1r1n h LEU 303 Cb 0.21 0.05 -0.13 0.00 0.09 0.00 0.00 40.66 40.88 1r1n h LEU 303 CO 0.01 -0.01 0.67 -0.33 0.09 0.00 0.00 178.44 178.88 1r1n h GLU 304 N -0.51 0.28 -0.09 1.13 5.08 -1.11 0.18 114.58 119.54 1r1n h GLU 304 Ca -0.02 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1r1n h GLU 304 Cb 0.18 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1r1n h GLU 304 CO 0.04 0.19 0.04 0.37 -1.00 0.00 0.00 179.01 178.64 1r1n h GLN 305 N 0.29 0.13 -1.05 2.33 4.15 -1.21 -2.78 115.11 116.96 1r1n h GLN 305 Ca 0.72 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 60.12 1r1n h GLN 305 Cb 1.85 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.52 1r1n h GLN 305 CO -0.47 0.24 0.00 0.00 -1.93 0.00 0.00 178.83 176.67 1r1n n ALA 306 N -2.20 1.68 -0.30 3.38 0.00 0.61 -4.63 120.51 119.05 1r1n n ALA 306 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1r1n n ALA 306 Cb 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1r1n n ALA 306 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r1n n GLY 307 N 0.60 0.00 0.04 0.00 0.00 -1.05 -4.64 105.19 100.15 1r1n n GLY 307 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1r1n n GLY 307 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1r1n n MET 308 N -1.53 0.06 0.00 1.61 0.00 -1.18 -5.02 117.12 111.05 1r1n n MET 308 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 57.70 57.97 1r1n n MET 308 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 33.22 31.61 1r1n n MET 308 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14