#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 1.85 -0.24 0.53 -4.36 -0.35 -4.92 121.20 113.71 1r1n s ILE 2 Ca 0.00 -2.19 -0.01 0.00 -0.26 0.00 0.00 60.65 58.19 1r1n s ILE 2 Cb 0.00 -2.04 0.02 0.00 1.25 0.00 0.00 42.46 41.69 1r1n s ILE 2 CO 0.00 -0.52 -0.08 -0.89 0.24 0.00 0.00 174.94 173.69 1r1n s THR 3 N -2.75 2.78 -0.17 8.37 2.01 -1.26 0.23 115.64 124.85 1r1n s THR 3 Ca 0.22 -1.00 -0.09 0.00 0.31 0.00 0.00 61.69 61.14 1r1n s THR 3 Cb -0.02 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.06 1r1n s THR 3 CO 0.08 0.25 0.13 -0.69 -0.69 0.00 0.00 174.62 173.69 1r1n s VAL 4 N 1.32 5.39 -0.40 3.82 1.01 -0.05 -1.53 120.40 129.96 1r1n s VAL 4 Ca 0.01 0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.98 1r1n s VAL 4 Cb -0.16 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1r1n s VAL 4 CO -0.05 0.51 0.50 -0.31 0.00 0.00 0.00 175.10 175.74 1r1n s TYR 5 N -0.15 3.15 -0.21 5.22 1.51 -0.13 -0.31 117.35 126.44 1r1n s TYR 5 Ca 0.10 -0.10 -0.04 0.00 -1.01 0.00 0.00 57.07 56.03 1r1n s TYR 5 Cb -0.11 -2.99 -0.01 0.00 -0.11 0.00 0.00 41.96 38.73 1r1n s TYR 5 CO 0.00 -0.67 -0.04 1.21 -1.11 0.00 0.00 175.55 174.95 1r1n s ASN 6 N 1.83 4.41 0.00 2.29 2.47 0.33 0.73 114.94 127.00 1r1n s ASN 6 Ca 0.16 -0.34 0.13 0.00 0.42 0.00 0.00 52.86 53.24 1r1n s ASN 6 Cb -0.16 -1.75 0.07 0.00 -1.45 0.00 0.00 41.25 37.96 1r1n s ASN 6 CO 0.15 0.01 0.86 0.61 -3.72 0.00 0.00 177.10 175.01 1r1n n GLY 7 N 4.58 -0.10 3.92 1.21 0.00 0.45 -1.84 105.19 113.41 1r1n n GLY 7 Ca -0.18 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 1r1n n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1r1n s GLN 8 N -1.28 1.81 0.20 1.61 2.00 -1.21 -4.22 119.66 118.57 1r1n s GLN 8 Ca 0.14 -0.20 -0.31 0.00 -2.00 0.00 0.00 55.36 52.99 1r1n s GLN 8 Cb 0.11 -2.04 -0.10 0.00 0.80 0.00 0.00 33.01 31.77 1r1n s GLN 8 CO 0.22 -1.59 1.55 -1.58 -0.50 0.00 0.00 175.29 173.39 1r1n s HIS 9 N -3.47 3.01 0.54 1.67 5.04 -1.26 -4.83 115.29 115.98 1r1n s HIS 9 Ca 0.64 0.72 0.31 0.00 -1.54 0.00 0.00 55.06 55.18 1r1n s HIS 9 Cb -0.09 -3.93 1.47 0.00 0.04 0.00 0.00 32.58 30.07 1r1n s HIS 9 CO 0.48 -3.31 1.91 -0.22 -2.34 0.00 0.00 174.74 171.25 1r1n h LYS 10 N 6.17 0.00 -0.11 2.88 3.11 -1.95 0.81 116.57 127.48 1r1n h LYS 10 Ca -0.44 -0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.27 1r1n h LYS 10 Cb 1.21 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.44 1r1n h LYS 10 CO 0.87 0.00 -0.44 1.49 -2.81 0.00 0.00 179.45 178.57 1r1n h GLU 11 N 0.00 0.49 -0.35 1.90 4.81 -1.99 -0.50 114.58 118.95 1r1n h GLU 11 Ca 0.40 -0.38 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 1r1n h GLU 11 Cb 1.59 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.03 1r1n h GLU 11 CO -0.01 1.01 -0.04 0.00 -0.73 0.00 0.00 179.01 179.25 1r1n h ALA 12 N 0.49 0.48 -0.49 2.92 0.00 -1.34 -2.52 119.26 118.79 1r1n h ALA 12 Ca -0.02 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1r1n h ALA 12 Cb 1.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1r1n h ALA 12 CO 0.09 0.28 -0.11 0.00 0.00 0.00 0.00 179.25 179.51 1r1n h ALA 13 N 0.84 0.68 -0.64 0.00 0.00 -1.00 -2.96 119.26 116.18 1r1n h ALA 13 Ca 0.10 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.71 1r1n h ALA 13 Cb 0.51 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1r1n h ALA 13 CO 0.03 0.58 0.37 0.37 0.00 0.00 0.00 179.25 180.59 1r1n h GLN 14 N 0.80 0.67 0.36 0.00 5.75 -1.02 -0.41 115.11 121.25 1r1n h GLN 14 Ca 0.13 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.57 1r1n h GLN 14 Cb 0.66 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.06 1r1n h GLN 14 CO 0.05 0.45 -0.22 0.00 -2.65 0.00 0.00 178.83 176.45 1r1n h ALA 15 N 1.32 -0.55 -0.90 3.38 0.00 -1.38 -1.41 119.26 119.72 1r1n h ALA 15 Ca 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1r1n h ALA 15 Cb 0.13 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1r1n h ALA 15 CO -0.15 -0.82 0.57 0.28 0.00 0.00 0.00 179.25 179.13 1r1n h VAL 16 N -0.55 1.24 -0.26 0.00 2.07 -1.34 -1.60 116.25 115.82 1r1n h VAL 16 Ca -0.04 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1r1n h VAL 16 Cb 0.46 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1r1n h VAL 16 CO 0.04 0.24 0.11 0.00 0.02 0.00 0.00 177.57 177.97 1r1n h ALA 17 N 1.31 0.33 -0.26 1.67 0.00 -0.93 -0.90 119.26 120.48 1r1n h ALA 17 Ca 0.33 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1r1n h ALA 17 Cb -0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1r1n h ALA 17 CO -0.07 -0.08 -0.32 -0.44 0.00 0.00 0.00 179.25 178.35 1r1n h ASP 18 N 0.27 0.74 -0.77 0.00 3.32 -1.14 -2.26 116.42 116.58 1r1n h ASP 18 Ca 0.09 -0.49 -0.02 0.00 0.02 0.00 0.00 57.03 56.62 1r1n h ASP 18 Cb 0.17 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1r1n h ASP 18 CO -0.01 1.08 0.39 0.00 -1.72 0.00 0.00 179.24 178.98 1r1n h ALA 19 N 0.68 1.22 -0.48 3.45 0.00 -1.29 -1.54 119.26 121.30 1r1n h ALA 19 Ca 0.04 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1r1n h ALA 19 Cb 0.89 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1r1n h ALA 19 CO 0.08 0.61 0.31 0.35 0.00 0.00 0.00 179.25 180.59 1r1n h PHE 20 N 1.10 0.58 -0.40 0.00 3.57 -1.07 -1.59 116.94 119.14 1r1n h PHE 20 Ca 0.27 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.75 1r1n h PHE 20 Cb 0.08 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 1r1n h PHE 20 CO 0.01 0.35 0.08 1.15 -2.23 0.00 0.00 178.31 177.67 1r1n h THR 21 N 0.62 1.19 -0.22 4.41 2.02 -0.74 -1.32 112.91 118.87 1r1n h THR 21 Ca 0.18 -0.69 -0.10 0.00 0.77 0.00 0.00 66.41 66.57 1r1n h THR 21 Cb -0.04 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1r1n h THR 21 CO -0.06 0.25 -0.26 0.03 0.37 0.00 0.00 175.52 175.85 1r1n h ARG 22 N 0.58 0.56 -0.29 6.66 3.08 -0.82 0.60 114.38 124.75 1r1n h ARG 22 Ca 0.13 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 1r1n h ARG 22 Cb 0.25 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1r1n h ARG 22 CO -0.00 0.91 -0.05 0.00 -1.07 0.00 0.00 179.97 179.75 1r1n h ALA 23 N 0.65 1.37 0.00 0.04 0.00 -1.02 -3.39 119.26 116.91 1r1n h ALA 23 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1r1n h ALA 23 Cb 0.82 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1r1n h ALA 23 CO 0.06 0.43 -0.94 0.25 0.00 0.00 0.00 179.25 179.05 1r1n n THR 24 N -4.26 0.00 0.00 0.00 -2.24 -0.52 -5.04 114.28 102.21 1r1n n THR 24 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1r1n n THR 24 Cb 0.27 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 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 3.35 1.20 3.67 3.38 0.00 0.21 -5.05 105.19 111.95 1r1n n GLY 25 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1r1n n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r1n s ILE 26 N -2.00 5.23 0.16 -0.61 1.01 -1.26 -5.02 121.20 118.72 1r1n s ILE 26 Ca 0.00 0.60 -0.30 0.00 0.00 0.00 0.00 60.65 60.95 1r1n s ILE 26 Cb 0.00 -3.68 -0.07 0.00 0.01 0.00 0.00 42.46 38.72 1r1n s ILE 26 CO 0.00 0.27 0.98 -0.54 0.00 0.00 0.00 174.94 175.65 1r1n s LYS 27 N 1.23 4.73 -0.32 2.79 3.01 -1.26 -4.12 119.74 125.80 1r1n s LYS 27 Ca 0.17 1.51 0.03 0.00 -1.01 0.00 0.00 55.97 56.66 1r1n s LYS 27 Cb -0.14 -3.33 0.09 0.00 -1.01 0.00 0.00 37.83 33.44 1r1n s LYS 27 CO 0.07 0.29 0.03 0.08 0.51 0.00 0.00 175.35 176.33 1r1n s VAL 28 N -0.43 2.01 0.80 3.17 1.01 -1.26 -1.21 120.40 124.50 1r1n s VAL 28 Ca 0.45 -2.06 -0.10 0.00 0.00 0.00 0.00 61.98 60.27 1r1n s VAL 28 Cb -0.25 -2.43 0.08 0.00 0.00 0.00 0.00 36.38 33.77 1r1n s VAL 28 CO 0.31 -0.51 1.10 -0.75 0.00 0.00 0.00 175.10 175.25 1r1n s LYS 29 N 1.06 2.00 -0.03 2.72 2.20 0.14 -4.84 119.74 122.98 1r1n s LYS 29 Ca 0.07 1.24 0.02 0.00 -0.36 0.00 0.00 55.97 56.94 1r1n s LYS 29 Cb -0.19 -1.86 0.01 0.00 -1.51 0.00 0.00 37.83 34.28 1r1n s LYS 29 CO -0.10 -1.85 -0.07 -0.51 -0.36 0.00 0.00 175.35 172.46 1r1n s LEU 30 N -6.06 1.60 -0.34 5.43 1.43 -1.26 -0.87 118.68 118.61 1r1n s LEU 30 Ca 0.62 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.59 1r1n s LEU 30 Cb -0.18 -0.49 0.10 0.00 0.03 0.00 0.00 46.19 45.64 1r1n s LEU 30 CO 0.56 0.01 0.05 0.21 0.23 0.00 0.00 176.35 177.42 1r1n s ASN 31 N 0.50 4.81 -0.16 2.29 2.47 0.58 -4.95 114.94 120.48 1r1n s ASN 31 Ca -0.07 -2.04 -0.08 0.00 0.42 0.00 0.00 52.86 51.09 1r1n s ASN 31 Cb -0.11 -1.65 -0.04 0.00 -1.45 0.00 0.00 41.25 37.99 1r1n s ASN 31 CO 0.01 -0.38 0.10 -0.44 -3.72 0.00 0.00 177.10 172.67 1r1n s SER 32 N 1.07 6.03 0.02 -4.21 0.01 -1.26 -0.51 113.70 114.84 1r1n s SER 32 Ca 0.08 0.26 -0.28 0.00 1.31 0.00 0.00 55.95 57.32 1r1n s SER 32 Cb -0.20 -2.00 0.10 0.00 0.21 0.00 0.00 66.02 64.14 1r1n s SER 32 CO -0.07 0.27 1.23 0.00 0.41 0.00 0.00 173.24 175.08 1r1n s ALA 33 N -0.17 -2.21 0.70 1.44 0.00 -0.77 -4.99 121.76 115.76 1r1n s ALA 33 Ca 0.09 0.24 -0.16 0.00 0.00 0.00 0.00 51.96 52.13 1r1n s ALA 33 Cb -0.12 0.65 0.02 0.00 0.00 0.00 0.00 23.12 23.67 1r1n s ALA 33 CO 0.01 -1.09 1.25 0.15 0.00 0.00 0.00 175.76 176.07 1r1n s LYS 34 N -2.27 2.30 0.50 0.00 1.02 -1.26 -3.76 119.74 116.26 1r1n s LYS 34 Ca 0.21 1.91 0.24 0.00 0.02 0.00 0.00 55.97 58.34 1r1n s LYS 34 Cb 0.01 -1.84 1.31 0.00 -0.52 0.00 0.00 37.83 36.79 1r1n s LYS 34 CO -0.01 -1.75 1.94 0.78 -0.92 0.00 0.00 175.35 175.40 1r1n h GLY 35 N 0.07 0.24 0.32 -3.33 0.00 -1.90 -2.95 103.07 95.53 1r1n h GLY 35 Ca -0.49 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1r1n h GLY 35 CO 0.51 0.01 -0.09 -0.55 0.00 0.00 0.00 176.54 176.43 1r1n h ASP 36 N 0.13 -0.20 -0.52 0.19 3.32 -1.99 -3.10 116.42 114.26 1r1n h ASP 36 Ca 0.33 -0.30 0.10 0.00 0.02 0.00 0.00 57.03 57.19 1r1n h ASP 36 Cb 1.13 0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.63 1r1n h ASP 36 CO -0.05 0.35 -0.27 -0.61 -1.72 0.00 0.00 179.24 176.95 1r1n h GLN 37 N -0.92 -0.14 -0.91 3.56 -0.00 -1.90 -1.24 115.11 113.57 1r1n h GLN 37 Ca -0.02 0.01 0.07 0.00 -0.00 0.00 0.00 58.65 58.71 1r1n h GLN 37 Cb 0.49 0.03 -0.07 0.00 0.00 0.00 0.00 27.48 27.93 1r1n h GLN 37 CO 0.04 -0.09 0.56 -0.07 0.00 0.00 0.00 178.83 179.27 1r1n h LEU 38 N -0.14 0.87 -0.37 -2.39 3.38 -1.65 0.60 115.31 115.60 1r1n h LEU 38 Ca 0.23 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 1r1n h LEU 38 Cb 0.51 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1r1n h LEU 38 CO -0.61 0.54 0.04 0.00 0.09 0.00 0.00 178.44 178.51 1r1n h ALA 39 N 1.44 0.49 -0.02 1.53 0.00 -1.18 0.04 119.26 121.56 1r1n h ALA 39 Ca 0.41 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 1r1n h ALA 39 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1r1n h ALA 39 CO -0.19 0.22 -0.72 0.78 0.00 0.00 0.00 179.25 179.33 1r1n h GLY 40 N 0.46 0.17 1.33 0.00 0.00 -0.91 -1.80 103.07 102.32 1r1n h GLY 40 Ca 0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 1r1n h GLY 40 CO 0.01 0.22 0.17 -1.61 0.00 0.00 0.00 176.54 175.33 1r1n h GLN 41 N 0.10 0.84 0.00 4.80 4.15 0.50 -0.86 115.11 124.64 1r1n h GLN 41 Ca -0.02 -0.16 -0.13 0.00 0.77 0.00 0.00 58.65 59.12 1r1n h GLN 41 Cb 1.28 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.82 1r1n h GLN 41 CO 0.11 0.73 -0.60 0.82 -1.93 0.00 0.00 178.83 177.96 1r1n h ILE 42 N 0.82 1.35 -0.25 2.39 2.04 -0.81 -2.55 117.51 120.50 1r1n h ILE 42 Ca 0.19 -2.11 -0.11 0.00 1.00 0.00 0.00 64.86 63.83 1r1n h ILE 42 Cb 0.25 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1r1n h ILE 42 CO -0.01 0.59 -0.27 0.11 0.00 0.00 0.00 178.15 178.57 1r1n h LYS 43 N 0.00 0.62 -0.66 2.37 1.57 -0.37 -1.46 116.57 118.64 1r1n h LYS 43 Ca -0.01 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 58.37 1r1n h LYS 43 Cb 1.11 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.41 1r1n h LYS 43 CO 0.08 0.94 0.13 0.93 -0.57 0.00 0.00 179.45 180.95 1r1n h GLU 44 N 0.33 1.07 -0.20 3.15 5.08 -1.15 -3.06 114.58 119.79 1r1n h GLU 44 Ca 0.04 -0.27 -0.19 0.00 -1.00 0.00 0.00 59.36 57.94 1r1n h GLU 44 Cb 0.83 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.95 1r1n h GLU 44 CO 0.07 0.97 -0.63 0.93 -1.00 0.00 0.00 179.01 179.34 1r1n h GLU 45 N 1.01 0.78 0.00 2.33 5.08 -1.45 -3.48 114.58 118.84 1r1n h GLU 45 Ca 0.20 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1r1n h GLU 45 Cb 0.40 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1r1n h GLU 45 CO 0.01 1.19 0.00 0.41 -1.00 0.00 0.00 179.01 179.62 1r1n n GLY 46 N 0.56 2.98 0.30 -3.84 0.00 -0.55 -1.93 105.19 102.71 1r1n n GLY 46 Ca -0.06 -0.25 0.20 0.00 0.00 0.00 0.00 46.02 45.91 1r1n n GLY 46 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r1n h SER 47 N 1.95 0.00 -1.90 1.61 4.64 -1.92 -2.96 113.55 114.98 1r1n h SER 47 Ca 0.00 0.00 -0.75 0.00 -0.47 0.00 0.00 61.79 60.57 1r1n h SER 47 Cb 0.00 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.80 1r1n h SER 47 CO 0.00 0.00 0.86 0.54 -0.87 0.00 0.00 176.83 177.36 1r1n n ARG 48 N -2.99 2.82 -4.19 4.77 1.74 -0.81 -4.83 116.66 113.17 1r1n n ARG 48 Ca -0.01 -3.62 -0.34 0.00 -0.77 0.00 0.00 57.85 53.11 1r1n n ARG 48 Cb 0.16 -2.27 -0.08 0.00 -1.02 0.00 0.00 32.46 29.25 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 -1.38 5.55 0.25 0.55 0.15 -1.12 -4.81 113.70 112.88 1r1n s SER 49 Ca 0.52 0.16 0.14 0.00 0.70 0.00 0.00 55.95 57.47 1r1n s SER 49 Cb 0.44 -1.59 0.01 0.00 -1.71 0.00 0.00 66.02 63.17 1r1n s SER 49 CO -0.38 0.32 1.40 -0.65 1.20 0.00 0.00 173.24 175.13 1r1n h PRO 50 N 4.57 0.00 -6.36 5.44 0.11 -1.93 -3.45 132.00 130.37 1r1n h PRO 50 Ca -0.50 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 64.99 1r1n h PRO 50 Cb 1.19 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.34 1r1n h PRO 50 CO 0.59 0.58 0.88 0.00 -0.21 0.00 0.00 178.00 179.83 1r1n n ALA 51 N -2.25 0.78 -0.09 -0.75 0.00 -1.26 -4.63 120.51 112.30 1r1n n ALA 51 Ca 0.01 0.39 -0.12 0.00 0.00 0.00 0.00 53.44 53.73 1r1n n ALA 51 Cb 0.77 -2.36 -0.11 0.00 0.00 0.00 0.00 19.45 17.75 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 4.69 1.73 -3.96 0.00 9.92 -0.58 -4.46 116.55 123.88 1r1n n ASP 52 Ca 0.20 -0.06 -0.13 0.00 -0.53 0.00 0.00 54.79 54.27 1r1n n ASP 52 Cb 0.27 0.23 -0.13 0.00 -0.64 0.00 0.00 41.12 40.85 1r1n n ASP 52 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1r1n s VAL 53 N -2.41 0.27 -0.30 2.53 1.01 -1.19 -3.02 120.40 117.30 1r1n s VAL 53 Ca -0.19 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1r1n s VAL 53 Cb 0.06 -0.30 0.07 0.00 0.00 0.00 0.00 36.38 36.21 1r1n s VAL 53 CO 0.57 -0.14 -0.02 0.12 0.00 0.00 0.00 175.10 175.63 1r1n s PHE 54 N -0.62 3.42 -1.03 5.22 5.36 0.12 -0.95 117.98 129.49 1r1n s PHE 54 Ca -0.05 -2.39 -0.12 0.00 -0.96 0.00 0.00 56.93 53.42 1r1n s PHE 54 Cb -0.05 -2.33 0.24 0.00 -0.34 0.00 0.00 43.02 40.53 1r1n s PHE 54 CO -0.00 -0.89 1.06 -0.47 -1.46 0.00 0.00 175.22 173.47 1r1n s TYR 55 N 1.09 3.93 0.11 10.12 5.04 0.22 -1.69 117.35 136.19 1r1n s TYR 55 Ca -0.02 -2.32 -0.11 0.00 -2.44 0.00 0.00 57.07 52.18 1r1n s TYR 55 Cb -0.20 -3.94 -0.06 0.00 0.35 0.00 0.00 41.96 38.11 1r1n s TYR 55 CO -0.05 -1.07 0.46 -1.54 -1.34 0.00 0.00 175.55 172.02 1r1n s SER 56 N 1.95 6.70 0.29 4.32 1.04 -1.03 -0.41 113.70 126.56 1r1n s SER 56 Ca 0.29 0.89 0.24 0.00 0.48 0.00 0.00 55.95 57.85 1r1n s SER 56 Cb -0.09 -2.22 0.36 0.00 0.10 0.00 0.00 66.02 64.17 1r1n s SER 56 CO -0.07 0.13 1.47 1.05 0.98 0.00 0.00 173.24 176.79 1r1n h GLU 57 N 3.55 0.00 -6.56 4.02 9.09 -1.84 -2.42 114.58 120.41 1r1n h GLU 57 Ca -0.49 0.00 -0.63 0.00 0.05 0.00 0.00 59.36 58.29 1r1n h GLU 57 Cb 1.19 0.00 -0.22 0.00 -1.65 0.00 0.00 28.75 28.07 1r1n h GLU 57 CO 0.67 0.00 -0.85 1.14 0.05 0.00 0.00 179.01 180.02 1r1n s GLN 58 N -3.22 1.28 0.09 1.06 -2.07 -1.26 -4.01 119.66 111.54 1r1n s GLN 58 Ca 0.06 -1.27 -0.03 0.00 -1.82 0.00 0.00 55.36 52.29 1r1n s GLN 58 Cb 0.09 -1.67 -0.22 0.00 -1.09 0.00 0.00 33.01 30.12 1r1n s GLN 58 CO 0.69 0.39 1.20 0.82 -1.32 0.00 0.00 175.29 177.07 1r1n h ILE 59 N 3.95 1.49 -0.93 3.63 1.08 -1.89 -3.32 117.51 121.52 1r1n h ILE 59 Ca -0.49 -2.92 0.10 0.00 -0.39 0.00 0.00 64.86 61.16 1r1n h ILE 59 Cb 1.18 2.80 -0.08 0.00 -3.07 0.00 0.00 36.82 37.65 1r1n h ILE 59 CO 0.39 0.86 0.57 -0.65 -0.69 0.00 0.00 178.15 178.63 1r1n h PRO 60 N 0.10 0.92 -0.60 2.37 0.11 -1.94 0.03 132.00 133.00 1r1n h PRO 60 Ca -0.11 -0.06 0.09 0.00 0.11 0.00 0.00 66.00 66.03 1r1n h PRO 60 Cb 1.85 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 32.72 1r1n h PRO 60 CO 0.19 0.61 0.40 0.00 -0.21 0.00 0.00 178.00 178.99 1r1n h ALA 61 N 1.48 1.96 -0.10 -0.75 0.00 -1.90 0.94 119.26 120.90 1r1n h ALA 61 Ca 0.44 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 55.11 1r1n h ALA 61 Cb 0.36 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1r1n h ALA 61 CO -0.24 -0.09 -0.81 -0.07 0.00 0.00 0.00 179.25 178.04 1r1n h LEU 62 N 0.45 0.89 -0.17 0.00 3.38 -1.18 -3.26 115.31 115.41 1r1n h LEU 62 Ca 0.27 -0.67 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1r1n h LEU 62 Cb 0.47 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1r1n h LEU 62 CO -0.08 1.42 0.09 0.00 0.09 0.00 0.00 178.44 179.96 1r1n h ALA 63 N 0.49 0.22 -0.72 1.53 0.00 0.47 -1.36 119.26 119.89 1r1n h ALA 63 Ca -0.07 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.83 1r1n h ALA 63 Cb 1.45 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 1r1n h ALA 63 CO 0.16 -0.23 0.48 1.79 0.00 0.00 0.00 179.25 181.45 1r1n h THR 64 N 0.16 1.02 0.00 0.00 1.35 -1.01 0.35 112.91 114.77 1r1n h THR 64 Ca 0.06 -0.26 -0.09 0.00 -0.55 0.00 0.00 66.41 65.57 1r1n h THR 64 Cb 0.10 0.20 -0.01 0.00 -1.73 0.00 0.00 68.15 66.71 1r1n h THR 64 CO -0.01 0.14 -0.44 -0.07 -0.25 0.00 0.00 175.52 174.89 1r1n h LEU 65 N 0.75 0.00 -0.02 3.87 3.38 -1.55 -1.79 115.31 119.95 1r1n h LEU 65 Ca 0.31 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.03 1r1n h LEU 65 Cb 0.26 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.02 1r1n h LEU 65 CO -0.10 0.44 -1.10 -1.28 0.09 0.00 0.00 178.44 176.49 1r1n h SER 66 N 0.00 0.57 1.40 -0.43 0.87 0.08 -1.96 113.55 114.09 1r1n h SER 66 Ca -0.00 -0.52 -0.01 0.00 -1.23 0.00 0.00 61.79 60.03 1r1n h SER 66 Cb 1.23 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1r1n h SER 66 CO 0.06 1.35 -0.05 0.00 -0.53 0.00 0.00 176.83 177.66 1r1n h ALA 67 N 0.60 0.99 -0.61 6.23 0.00 -0.32 -2.74 119.26 123.41 1r1n h ALA 67 Ca -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1r1n h ALA 67 Cb 1.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1r1n h ALA 67 CO 0.19 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.50 1r1n n ALA 68 N -2.11 2.45 -3.55 0.00 0.00 -0.68 -4.98 120.51 111.63 1r1n n ALA 68 Ca 0.02 -1.10 -0.19 0.00 0.00 0.00 0.00 53.44 52.17 1r1n n ALA 68 Cb 0.42 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 18.93 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 1.28 -5.87 0.00 0.00 3.02 -1.03 -4.92 115.26 107.73 1r1n n ASN 69 Ca 0.21 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 1r1n n ASN 69 Cb 0.54 -3.18 0.00 0.00 -0.61 0.00 0.00 39.78 36.53 1r1n n ASN 69 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1r1n n LEU 70 N -2.76 0.00 -4.84 3.41 4.77 -0.75 -4.99 117.00 111.83 1r1n n LEU 70 Ca -0.17 -0.07 -0.38 0.00 -0.03 0.00 0.00 56.01 55.36 1r1n n LEU 70 Cb 0.61 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.64 1r1n n LEU 70 CO 0.61 0.00 0.09 -0.76 -1.33 0.00 0.00 177.39 176.01 1r1n s LEU 71 N -1.20 4.47 0.14 2.23 1.43 -1.25 0.35 118.68 124.85 1r1n s LEU 71 Ca 0.00 0.94 -0.24 0.00 -1.03 0.00 0.00 54.13 53.80 1r1n s LEU 71 Cb 0.00 -2.58 -0.08 0.00 0.03 0.00 0.00 46.19 43.57 1r1n s LEU 71 CO 0.00 0.32 0.75 -0.70 0.23 0.00 0.00 176.35 176.95 1r1n s GLU 72 N -1.10 4.51 0.15 1.70 2.56 0.71 -4.66 118.70 122.57 1r1n s GLU 72 Ca 0.24 1.09 -0.31 0.00 0.00 0.00 0.00 54.97 55.99 1r1n s GLU 72 Cb -0.16 -3.27 -0.08 0.00 2.00 0.00 0.00 34.13 32.61 1r1n s GLU 72 CO 0.13 0.56 1.39 -1.25 -0.56 0.00 0.00 175.26 175.53 1r1n s PRO 73 N -1.06 4.32 0.13 4.30 0.04 -1.26 -4.50 135.00 136.98 1r1n s PRO 73 Ca 0.35 2.11 -0.11 0.00 0.04 0.00 0.00 61.00 63.39 1r1n s PRO 73 Cb -0.22 -3.22 -0.06 0.00 0.04 0.00 0.00 34.50 31.04 1r1n s PRO 73 CO 0.25 -0.41 0.48 -0.51 0.04 0.00 0.00 177.00 176.86 1r1n s LEU 74 N 0.71 4.31 0.44 -3.56 1.43 -0.85 -4.99 118.68 116.17 1r1n s LEU 74 Ca 0.63 0.92 -0.25 0.00 -1.03 0.00 0.00 54.13 54.39 1r1n s LEU 74 Cb -0.38 -3.23 -0.09 0.00 0.03 0.00 0.00 46.19 42.53 1r1n s LEU 74 CO 0.33 0.10 1.42 -0.81 0.23 0.00 0.00 176.35 177.62 1r1n n PRO 75 N 0.66 2.24 -0.05 1.29 -0.04 -1.26 -4.81 135.00 133.01 1r1n n PRO 75 Ca -0.05 0.80 0.20 0.00 -0.04 0.00 0.00 63.50 64.40 1r1n n PRO 75 Cb 0.52 -2.60 0.65 0.00 -0.04 0.00 0.00 33.50 32.03 1r1n n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1r1n h ALA 76 N 2.30 2.45 -0.64 0.55 0.00 -1.96 -0.83 119.26 121.13 1r1n h ALA 76 Ca -0.50 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1r1n h ALA 76 Cb 1.27 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1r1n h ALA 76 CO 0.61 -0.63 0.36 0.66 0.00 0.00 0.00 179.25 180.25 1r1n h SER 77 N 0.09 0.80 0.86 0.00 4.64 -1.99 -0.82 113.55 117.13 1r1n h SER 77 Ca 0.29 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.48 1r1n h SER 77 Cb 1.05 -0.20 0.01 0.00 -0.31 0.00 0.00 62.40 62.94 1r1n h SER 77 CO -0.03 0.65 -0.41 0.74 -0.87 0.00 0.00 176.83 176.91 1r1n h THR 78 N 0.87 0.01 0.00 2.95 2.02 -1.51 -2.71 112.91 114.54 1r1n h THR 78 Ca 0.23 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1r1n h THR 78 Cb 0.03 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.45 1r1n h THR 78 CO -0.04 0.00 0.11 0.40 0.37 0.00 0.00 175.52 176.36 1r1n h ILE 79 N -1.31 0.00 0.01 3.11 2.04 -1.47 -1.66 117.51 118.23 1r1n h ILE 79 Ca -0.12 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.52 1r1n h ILE 79 Cb 0.89 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1r1n h ILE 79 CO 0.19 0.00 -1.12 -1.13 0.00 0.00 0.00 178.15 176.10 1r1n h ASN 80 N 0.00 0.03 -0.98 1.72 -0.00 -0.89 -3.33 115.58 112.13 1r1n h ASN 80 Ca 0.00 -0.03 0.27 0.00 -0.00 0.00 0.00 56.30 56.53 1r1n h ASN 80 Cb 0.22 -0.01 -0.05 0.00 -0.00 0.00 0.00 38.32 38.48 1r1n h ASN 80 CO 0.00 1.03 0.68 -0.33 -0.00 0.00 0.00 177.43 178.81 1r1n h GLU 81 N 0.01 0.13 -0.07 6.67 4.39 -0.99 -2.02 114.58 122.70 1r1n h GLU 81 Ca -0.06 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1r1n h GLU 81 Cb 1.82 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.44 1r1n h GLU 81 CO 0.13 0.09 0.00 0.25 -1.16 0.00 0.00 179.01 178.31 1r1n n THR 82 N -4.35 1.95 -2.42 1.13 -2.24 -1.25 -4.39 114.28 102.71 1r1n n THR 82 Ca 0.21 -2.11 -0.39 0.00 -2.27 0.00 0.00 64.05 59.49 1r1n n THR 82 Cb 0.96 -0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 1r1n n THR 82 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1r1n s ARG 83 N -2.78 4.32 0.00 -0.78 3.52 -0.76 -4.77 118.95 117.70 1r1n s ARG 83 Ca 0.33 1.76 0.00 0.00 -0.13 0.00 0.00 55.73 57.69 1r1n s ARG 83 Cb 0.28 -2.86 0.00 0.00 -1.56 0.00 0.00 34.95 30.82 1r1n s ARG 83 CO 0.05 -0.06 0.00 0.41 -0.81 0.00 0.00 175.30 174.88 1r1n n GLY 84 N 0.78 0.88 3.68 8.12 0.00 -1.26 -4.98 105.19 112.42 1r1n n GLY 84 Ca 0.02 -0.58 -0.52 0.00 0.00 0.00 0.00 46.02 44.94 1r1n n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r1n n LYS 85 N -0.07 1.67 0.00 1.61 4.76 -1.26 -1.35 118.16 123.52 1r1n n LYS 85 Ca 0.00 0.61 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 1r1n n LYS 85 Cb 0.00 -2.37 0.00 0.00 -1.84 0.00 0.00 35.03 30.82 1r1n n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1r1n n GLY 86 N 4.05 1.18 3.74 0.72 0.00 -1.26 -5.00 105.19 108.63 1r1n n GLY 86 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.33 4.03 0.17 1.61 1.01 -0.46 -4.99 120.40 119.45 1r1n s VAL 87 Ca 0.00 1.85 -0.32 0.00 0.00 0.00 0.00 61.98 63.51 1r1n s VAL 87 Cb 0.00 -4.18 -0.11 0.00 0.00 0.00 0.00 36.38 32.10 1r1n s VAL 87 CO 0.00 0.36 1.67 -2.84 0.00 0.00 0.00 175.10 174.29 1r1n s PRO 88 N -0.64 4.17 -0.06 2.72 0.02 -1.26 -4.86 135.00 135.08 1r1n s PRO 88 Ca 0.46 2.49 0.03 0.00 0.02 0.00 0.00 61.00 64.00 1r1n s PRO 88 Cb -0.27 -3.20 -0.02 0.00 0.02 0.00 0.00 34.50 31.02 1r1n s PRO 88 CO 0.34 -0.70 -0.13 0.08 -0.33 0.00 0.00 177.00 176.25 1r1n s VAL 89 N 1.44 3.15 -0.29 3.83 1.01 -1.26 -4.33 120.40 123.95 1r1n s VAL 89 Ca 0.74 -0.68 -0.28 0.00 0.00 0.00 0.00 61.98 61.75 1r1n s VAL 89 Cb -0.46 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 33.68 1r1n s VAL 89 CO 0.32 0.58 1.02 0.00 0.00 0.00 0.00 175.10 177.03 1r1n s ALA 90 N -0.60 3.57 0.29 5.51 0.00 -1.26 -4.92 121.76 124.35 1r1n s ALA 90 Ca 0.09 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.06 1r1n s ALA 90 Cb -0.11 -3.58 0.65 0.00 0.00 0.00 0.00 23.12 20.08 1r1n s ALA 90 CO 0.01 -1.29 1.77 0.00 0.00 0.00 0.00 175.76 176.25 1r1n h ALA 91 N 7.87 1.51 -0.37 0.00 0.00 -1.98 0.20 119.26 126.49 1r1n h ALA 91 Ca -0.20 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1r1n h ALA 91 Cb 1.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1r1n h ALA 91 CO 0.99 -0.05 0.00 1.63 0.00 0.00 0.00 179.25 181.82 1r1n n LYS 92 N -4.81 2.11 -3.87 0.00 5.02 -1.26 -4.92 118.16 110.44 1r1n n LYS 92 Ca 0.21 -1.70 -0.27 0.00 -2.02 0.00 0.00 58.31 54.53 1r1n n LYS 92 Cb 0.51 -1.42 0.02 0.00 -0.02 0.00 0.00 35.03 34.11 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 0.89 -4.74 -0.06 1.97 5.02 0.72 -4.87 118.16 117.10 1r1n n LYS 93 Ca 0.17 0.55 0.02 0.00 -2.02 0.00 0.00 58.31 57.04 1r1n n LYS 93 Cb 0.44 -5.18 0.05 0.00 -0.02 0.00 0.00 35.03 30.32 1r1n n LYS 93 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1r1n n ASP 94 N -2.93 2.27 -3.48 4.39 5.75 -1.26 -2.01 116.55 119.28 1r1n n ASP 94 Ca -0.14 -1.95 -0.11 0.00 -0.01 0.00 0.00 54.79 52.58 1r1n n ASP 94 Cb 0.61 -0.08 -0.03 0.00 -1.03 0.00 0.00 41.12 40.59 1r1n n ASP 94 CO 0.00 0.00 0.00 -1.66 -0.11 0.00 0.00 177.20 175.43 1r1n s TRP 95 N -0.96 -0.47 -0.02 2.11 1.48 -1.26 -4.46 118.94 115.36 1r1n s TRP 95 Ca 0.08 0.44 0.01 0.00 -1.06 0.00 0.00 56.10 55.57 1r1n s TRP 95 Cb 0.04 0.52 0.01 0.00 -1.16 0.00 0.00 33.47 32.88 1r1n s TRP 95 CO 0.06 -0.65 -0.04 0.54 -4.06 0.00 0.00 176.95 172.80 1r1n s VAL 96 N -2.87 0.35 0.33 -0.66 0.11 -0.87 -4.29 120.40 112.50 1r1n s VAL 96 Ca 0.00 -0.12 -0.29 0.00 -2.93 0.00 0.00 61.98 58.65 1r1n s VAL 96 Cb -0.01 -0.34 -0.11 0.00 -1.53 0.00 0.00 36.38 34.40 1r1n s VAL 96 CO -0.07 0.13 1.40 0.00 -3.33 0.00 0.00 175.10 173.23 1r1n s ALA 97 N 0.31 3.55 0.03 1.54 0.00 -1.26 -2.25 121.76 123.69 1r1n s ALA 97 Ca -0.03 1.38 -0.01 0.00 0.00 0.00 0.00 51.96 53.30 1r1n s ALA 97 Cb -0.07 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 1r1n s ALA 97 CO -0.00 -0.80 -0.03 1.28 0.00 0.00 0.00 175.76 176.21 1r1n n LEU 98 N 1.00 0.69 -4.26 0.00 4.77 0.96 -4.76 117.00 115.41 1r1n n LEU 98 Ca 0.02 0.09 -0.15 0.00 -0.03 0.00 0.00 56.01 55.95 1r1n n LEU 98 Cb 0.41 -0.22 -0.10 0.00 -2.33 0.00 0.00 43.42 41.17 1r1n n LEU 98 CO 0.61 -0.37 -0.24 -0.94 -1.33 0.00 0.00 177.39 175.12 1r1n s SER 99 N -5.61 0.73 -0.00 -1.43 1.04 -1.20 -2.77 113.70 104.45 1r1n s SER 99 Ca -0.02 -1.41 -0.02 0.00 0.48 0.00 0.00 55.95 54.98 1r1n s SER 99 Cb 0.01 0.29 -0.00 0.00 0.10 0.00 0.00 66.02 66.41 1r1n s SER 99 CO 0.03 -0.80 0.04 -0.83 0.98 0.00 0.00 173.24 172.66 1r1n s GLY 100 N -3.25 0.05 -0.09 7.32 0.00 -0.66 -1.14 107.32 109.55 1r1n s GLY 100 Ca 0.38 -0.11 0.02 0.00 0.00 0.00 0.00 44.72 45.02 1r1n s GLY 100 CO 0.13 -0.15 -0.14 1.09 0.00 0.00 0.00 173.10 174.03 1r1n s ARG 101 N -0.58 2.01 0.31 2.90 1.70 -0.47 -0.62 118.95 124.20 1r1n s ARG 101 Ca -0.06 -0.50 0.06 0.00 -0.47 0.00 0.00 55.73 54.76 1r1n s ARG 101 Cb -0.04 -1.69 -0.02 0.00 -0.57 0.00 0.00 34.95 32.63 1r1n s ARG 101 CO -0.00 -0.02 0.42 0.45 -1.08 0.00 0.00 175.30 175.07 1r1n s SER 102 N 0.85 6.02 0.21 -2.89 0.15 -1.26 -1.16 113.70 115.62 1r1n s SER 102 Ca -0.10 -0.14 -0.20 0.00 0.70 0.00 0.00 55.95 56.21 1r1n s SER 102 Cb -0.15 -1.40 -0.08 0.00 -1.71 0.00 0.00 66.02 62.68 1r1n s SER 102 CO 0.01 -0.31 0.73 -0.13 1.20 0.00 0.00 173.24 174.73 1r1n s ARG 103 N -4.10 4.29 0.35 5.44 1.81 -0.82 -1.77 118.95 124.15 1r1n s ARG 103 Ca 0.41 0.90 0.01 0.00 -1.72 0.00 0.00 55.73 55.34 1r1n s ARG 103 Cb -0.09 -2.94 -0.00 0.00 -0.45 0.00 0.00 34.95 31.47 1r1n s ARG 103 CO 0.30 0.42 0.44 0.14 -0.68 0.00 0.00 175.30 175.92 1r1n s VAL 104 N -1.46 0.00 -0.19 3.52 -7.23 0.19 -4.77 120.40 110.46 1r1n s VAL 104 Ca 0.42 -1.70 -0.02 0.00 -1.81 0.00 0.00 61.98 58.86 1r1n s VAL 104 Cb -0.18 -2.64 0.05 0.00 0.56 0.00 0.00 36.38 34.18 1r1n s VAL 104 CO 0.22 0.00 0.01 -0.69 -0.31 0.00 0.00 175.10 174.32 1r1n s VAL 105 N -3.04 0.77 -0.03 1.32 1.01 -0.89 -1.34 120.40 118.19 1r1n s VAL 105 Ca 0.34 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 1r1n s VAL 105 Cb 0.00 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 1r1n s VAL 105 CO 0.24 -0.11 0.34 0.54 0.00 0.00 0.00 175.10 176.11 1r1n s VAL 106 N 1.75 5.15 0.24 2.92 0.11 -0.90 0.16 120.40 129.84 1r1n s VAL 106 Ca -0.01 0.67 0.01 0.00 -2.93 0.00 0.00 61.98 59.72 1r1n s VAL 106 Cb -0.17 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 31.01 1r1n s VAL 106 CO -0.07 0.59 0.13 -0.72 -3.33 0.00 0.00 175.10 171.69 1r1n s TYR 107 N -1.07 1.37 -0.55 1.54 1.13 0.59 -1.76 117.35 118.61 1r1n s TYR 107 Ca 0.22 -1.33 -0.21 0.00 -1.41 0.00 0.00 57.07 54.34 1r1n s TYR 107 Cb -0.15 -0.72 0.06 0.00 -1.10 0.00 0.00 41.96 40.05 1r1n s TYR 107 CO 0.11 -0.54 0.78 0.34 -2.51 0.00 0.00 175.55 173.73 1r1n s ASP 108 N -3.25 6.25 0.00 -0.18 3.68 -0.61 -1.49 116.67 121.07 1r1n s ASP 108 Ca 0.38 -0.81 0.12 0.00 2.13 0.00 0.00 52.55 54.37 1r1n s ASP 108 Cb 0.07 -2.35 0.57 0.00 -1.45 0.00 0.00 42.92 39.76 1r1n s ASP 108 CO 0.14 -1.09 1.32 0.35 0.13 0.00 0.00 175.17 176.01 1r1n n THR 109 N 5.82 0.85 0.13 1.71 -2.24 -1.13 -0.08 114.28 119.35 1r1n n THR 109 Ca -0.04 0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1r1n n THR 109 Cb 0.46 -1.01 0.11 0.00 -2.10 0.00 0.00 70.33 67.79 1r1n n THR 109 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1r1n h ARG 110 N 0.00 0.00 0.00 -0.78 3.08 -1.91 -3.38 114.38 111.40 1r1n h ARG 110 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1r1n h ARG 110 Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1r1n h ARG 110 CO 0.00 0.61 -1.61 1.63 -1.07 0.00 0.00 179.97 179.53 1r1n n LYS 111 N -3.46 0.26 -4.42 0.04 5.02 -0.55 -5.08 118.16 109.96 1r1n n LYS 111 Ca 0.00 0.07 -0.25 0.00 -2.02 0.00 0.00 58.31 56.12 1r1n n LYS 111 Cb 0.69 -1.16 -0.09 0.00 -0.02 0.00 0.00 35.03 34.45 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 -5.79 2.83 0.00 -0.35 1.43 0.89 -5.10 118.68 112.60 1r1n s LEU 112 Ca -0.15 -1.01 0.00 0.00 -1.03 0.00 0.00 54.13 51.95 1r1n s LEU 112 Cb 0.04 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 45.02 1r1n s LEU 112 CO 0.24 -0.12 0.00 -1.54 0.23 0.00 0.00 176.35 175.16 1r1n n SER 113 N -0.81 1.10 -0.03 2.29 3.41 -1.26 -3.97 113.62 114.34 1r1n n SER 113 Ca -0.05 -0.92 -0.13 0.00 -0.26 0.00 0.00 58.87 57.51 1r1n n SER 113 Cb 0.62 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.48 1r1n n SER 113 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1r1n h GLU 114 N 0.00 0.14 0.00 4.33 4.39 -2.00 -3.04 114.58 118.40 1r1n h GLU 114 Ca 0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1r1n h GLU 114 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1r1n h GLU 114 CO 0.00 0.57 0.24 1.63 -1.16 0.00 0.00 179.01 180.28 1r1n n LYS 115 N -4.75 0.08 0.00 2.33 4.76 -1.26 -0.40 118.16 118.93 1r1n n LYS 115 Ca -0.07 0.53 0.12 0.00 -2.87 0.00 0.00 58.31 56.02 1r1n n LYS 115 Cb 0.28 -1.99 0.21 0.00 -1.84 0.00 0.00 35.03 31.69 1r1n n LYS 115 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1r1n n ASP 116 N -1.94 0.55 -4.63 4.39 9.92 -1.15 -4.96 116.55 118.73 1r1n n ASP 116 Ca -0.01 -0.28 -0.25 0.00 -0.53 0.00 0.00 54.79 53.72 1r1n n ASP 116 Cb 0.26 0.32 0.11 0.00 -0.64 0.00 0.00 41.12 41.16 1r1n n ASP 116 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1r1n s LEU 117 N -3.08 2.93 0.21 0.64 1.43 0.47 -4.98 118.68 116.29 1r1n s LEU 117 Ca 0.10 -0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1r1n s LEU 117 Cb 0.17 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1r1n s LEU 117 CO 0.72 -1.94 0.41 -1.61 0.23 0.00 0.00 176.35 174.16 1r1n s GLU 118 N -5.27 3.53 0.00 1.70 0.41 -1.26 -5.01 118.70 112.80 1r1n s GLU 118 Ca 0.66 -0.30 0.27 0.00 -0.41 0.00 0.00 54.97 55.19 1r1n s GLU 118 Cb -0.06 -2.82 0.88 0.00 -1.78 0.00 0.00 34.13 30.35 1r1n s GLU 118 CO 0.46 0.38 1.66 1.63 -0.49 0.00 0.00 175.26 178.89 1r1n n LYS 119 N -0.69 0.36 -3.78 1.61 4.76 -1.26 -4.82 118.16 114.34 1r1n n LYS 119 Ca -0.04 -0.16 -0.13 0.00 -2.87 0.00 0.00 58.31 55.11 1r1n n LYS 119 Cb 0.54 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 32.11 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 -2.75 -0.23 0.63 4.39 0.15 -1.26 -4.95 113.70 109.68 1r1n s SER 120 Ca 0.19 0.45 0.42 0.00 0.70 0.00 0.00 55.95 57.71 1r1n s SER 120 Cb 0.19 0.42 2.16 0.00 -1.71 0.00 0.00 66.02 67.08 1r1n s SER 120 CO 0.57 -0.10 2.27 1.62 1.20 0.00 0.00 173.24 178.80 1r1n h VAL 121 N 5.14 0.00 -0.03 4.45 3.04 -1.92 -2.30 116.25 124.63 1r1n h VAL 121 Ca -0.30 -0.12 -0.08 0.00 -1.01 0.00 0.00 66.70 65.19 1r1n h VAL 121 Cb 1.18 1.11 -0.01 0.00 -2.01 0.00 0.00 31.29 31.56 1r1n h VAL 121 CO 0.37 0.00 -0.35 -0.07 -1.01 0.00 0.00 177.57 176.52 1r1n h LEU 122 N 0.00 0.05 0.00 3.16 3.38 -1.98 -3.03 115.31 116.89 1r1n h LEU 122 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1r1n h LEU 122 Cb 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1r1n h LEU 122 CO 0.00 0.40 0.00 0.59 0.09 0.00 0.00 178.44 179.52 1r1n n ASN 123 N -4.11 0.00 0.06 -0.43 3.02 -0.86 -2.86 115.26 110.07 1r1n n ASN 123 Ca -0.02 -1.14 0.12 0.00 -0.03 0.00 0.00 54.58 53.52 1r1n n ASN 123 Cb 0.40 0.00 0.24 0.00 -0.61 0.00 0.00 39.78 39.81 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 -0.76 0.52 -1.83 3.10 4.01 -1.14 -4.06 117.16 116.99 1r1n n TYR 124 Ca 0.10 0.15 -0.34 0.00 -0.16 0.00 0.00 57.90 57.65 1r1n n TYR 124 Cb 0.04 -0.65 -0.01 0.00 -0.31 0.00 0.00 39.34 38.42 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 -1.76 6.49 -2.29 -0.72 0.00 -1.13 -4.71 120.51 116.38 1r1n n ALA 125 Ca 0.04 -3.71 -0.15 0.00 0.00 0.00 0.00 53.44 49.62 1r1n n ALA 125 Cb 0.42 -2.21 -0.10 0.00 0.00 0.00 0.00 19.45 17.56 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 -3.13 0.46 0.50 0.00 -4.23 -1.26 -4.60 115.64 103.38 1r1n s THR 126 Ca 0.54 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.31 1r1n s THR 126 Cb 0.34 -2.59 0.30 0.00 1.34 0.00 0.00 72.50 71.90 1r1n s THR 126 CO -0.25 -0.02 2.14 -0.65 -0.54 0.00 0.00 174.62 175.30 1r1n h PRO 127 N 2.44 0.00 -0.01 3.99 0.11 -1.93 -2.40 132.00 134.20 1r1n h PRO 127 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1r1n h PRO 127 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1r1n h PRO 127 CO 0.59 0.07 0.12 -0.22 -0.21 0.00 0.00 178.00 178.36 1r1n h LYS 128 N 0.00 0.00 0.00 1.05 3.64 -1.94 -2.18 116.57 117.15 1r1n h LYS 128 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1r1n h LYS 128 Cb 0.17 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1r1n h LYS 128 CO 0.01 0.00 -0.40 0.91 -2.27 0.00 0.00 179.45 177.70 1r1n n TRP 129 N -3.09 0.00 -1.56 1.91 7.02 -0.90 -4.95 117.44 115.87 1r1n n TRP 129 Ca -0.02 -1.22 -0.48 0.00 -1.02 0.00 0.00 57.50 54.75 1r1n n TRP 129 Cb 0.19 -0.21 -0.05 0.00 -2.42 0.00 0.00 31.31 28.82 1r1n n TRP 129 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1r1n n LYS 130 N -1.04 1.65 -2.40 -0.99 3.00 -0.82 0.19 118.16 117.74 1r1n n LYS 130 Ca 0.16 0.51 -0.18 0.00 -0.00 0.00 0.00 58.31 58.81 1r1n n LYS 130 Cb 0.71 -2.72 -0.00 0.00 0.00 0.00 0.00 35.03 33.02 1r1n n LYS 130 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1r1n n ASN 131 N 9.30 -5.19 0.00 3.14 3.02 0.29 -4.86 115.26 120.96 1r1n n ASN 131 Ca 0.32 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1r1n n ASN 131 Cb 0.31 -4.25 0.00 0.00 -0.61 0.00 0.00 39.78 35.23 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 -2.79 3.61 -4.03 3.52 1.74 0.13 -4.69 116.66 114.15 1r1n n ARG 132 Ca -0.20 -0.19 -0.15 0.00 -0.77 0.00 0.00 57.85 56.54 1r1n n ARG 132 Cb 0.65 -0.67 -0.15 0.00 -1.02 0.00 0.00 32.46 31.28 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 -0.57 0.25 0.39 0.55 1.10 -1.22 -1.87 121.20 119.83 1r1n s ILE 133 Ca 0.00 -0.08 0.08 0.00 -0.51 0.00 0.00 60.65 60.14 1r1n s ILE 133 Cb 0.00 -0.25 -0.04 0.00 0.15 0.00 0.00 42.46 42.32 1r1n s ILE 133 CO 0.00 0.10 0.22 -0.83 -2.11 0.00 0.00 174.94 172.32 1r1n s GLY 134 N 0.25 2.15 0.33 1.50 0.00 -0.35 -0.68 107.32 110.52 1r1n s GLY 134 Ca -0.02 -1.96 -0.16 0.00 0.00 0.00 0.00 44.72 42.58 1r1n s GLY 134 CO -0.01 -1.80 0.70 -2.52 0.00 0.00 0.00 173.10 169.47 1r1n s TYR 135 N -2.51 0.11 -0.46 1.90 1.13 0.07 -1.77 117.35 115.82 1r1n s TYR 135 Ca 0.42 -0.63 0.03 0.00 -1.41 0.00 0.00 57.07 55.48 1r1n s TYR 135 Cb -0.00 0.64 0.16 0.00 -1.10 0.00 0.00 41.96 41.65 1r1n s TYR 135 CO 0.24 -1.34 0.32 0.08 -2.51 0.00 0.00 175.55 172.34 1r1n s VAL 136 N -3.19 1.06 -0.07 -3.49 1.01 -1.26 0.12 120.40 114.57 1r1n s VAL 136 Ca 0.16 -2.76 0.14 0.00 0.00 0.00 0.00 61.98 59.52 1r1n s VAL 136 Cb -0.05 -1.73 0.14 0.00 0.00 0.00 0.00 36.38 34.75 1r1n s VAL 136 CO 0.10 -1.06 1.36 -0.81 0.00 0.00 0.00 175.10 174.69 1r1n n PRO 137 N 3.08 0.10 -0.58 2.72 -0.04 -1.26 -1.34 135.00 137.68 1r1n n PRO 137 Ca 0.19 0.57 0.05 0.00 -0.04 0.00 0.00 63.50 64.28 1r1n n PRO 137 Cb 0.40 -2.04 0.27 0.00 -0.04 0.00 0.00 33.50 32.09 1r1n n PRO 137 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1r1n n THR 138 N -2.06 2.42 -3.62 0.52 -2.24 -1.26 -4.88 114.28 103.16 1r1n n THR 138 Ca -0.01 -1.95 -0.34 0.00 -2.27 0.00 0.00 64.05 59.48 1r1n n THR 138 Cb 0.25 -0.28 -0.05 0.00 -2.10 0.00 0.00 70.33 68.15 1r1n n THR 138 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1r1n s SER 139 N -1.87 6.59 0.45 3.42 0.15 -0.45 -4.98 113.70 117.01 1r1n s SER 139 Ca 0.45 0.72 0.29 0.00 0.70 0.00 0.00 55.95 58.10 1r1n s SER 139 Cb 0.37 -2.15 1.01 0.00 -1.71 0.00 0.00 66.02 63.54 1r1n s SER 139 CO 0.08 0.14 1.83 1.23 1.20 0.00 0.00 173.24 177.73 1r1n h GLY 140 N 3.49 0.00 1.50 9.45 0.00 -1.94 -2.30 103.07 113.27 1r1n h GLY 140 Ca -0.48 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.59 1r1n h GLY 140 CO 0.68 0.00 -1.35 0.00 0.00 0.00 0.00 176.54 175.87 1r1n h ALA 141 N 2.09 0.45 -0.06 3.60 0.00 -1.94 -2.88 119.26 120.51 1r1n h ALA 141 Ca 0.00 -1.12 -0.10 0.00 0.00 0.00 0.00 54.91 53.69 1r1n h ALA 141 Cb 0.62 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1r1n h ALA 141 CO 0.00 1.31 -0.41 0.35 0.00 0.00 0.00 179.25 180.50 1r1n h PHE 142 N 0.02 0.15 -0.18 0.00 3.57 -1.73 -1.33 116.94 117.45 1r1n h PHE 142 Ca -0.15 -0.04 -0.20 0.00 3.53 0.00 0.00 57.97 61.11 1r1n h PHE 142 Cb 1.91 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.62 1r1n h PHE 142 CO 0.02 0.53 -0.68 1.25 -2.23 0.00 0.00 178.31 177.20 1r1n h LEU 143 N 0.11 0.82 -0.83 0.59 5.85 -1.46 -2.76 115.31 117.62 1r1n h LEU 143 Ca 0.01 -0.49 -0.06 0.00 0.84 0.00 0.00 57.88 58.17 1r1n h LEU 143 Cb 0.78 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1r1n h LEU 143 CO 0.06 1.27 0.18 -0.33 -0.34 0.00 0.00 178.44 179.28 1r1n h GLU 144 N 0.51 1.06 -0.74 1.25 4.39 -1.25 -1.83 114.58 117.97 1r1n h GLU 144 Ca -0.02 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 1r1n h GLU 144 Cb 1.28 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.74 1r1n h GLU 144 CO 0.14 0.92 0.43 0.37 -1.16 0.00 0.00 179.01 179.70 1r1n h GLN 145 N 1.01 1.00 0.38 2.33 5.75 -1.14 -0.11 115.11 124.34 1r1n h GLN 145 Ca 0.22 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 1r1n h GLN 145 Cb 0.33 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.67 1r1n h GLN 145 CO -0.00 0.72 -0.18 0.82 -2.65 0.00 0.00 178.83 177.53 1r1n h ILE 146 N 1.02 0.59 -0.97 2.39 1.08 -1.15 -1.71 117.51 118.75 1r1n h ILE 146 Ca 0.26 -0.47 0.18 0.00 -0.39 0.00 0.00 64.86 64.45 1r1n h ILE 146 Cb -0.01 0.80 -0.09 0.00 -3.07 0.00 0.00 36.82 34.45 1r1n h ILE 146 CO -0.05 0.08 0.61 0.58 -0.69 0.00 0.00 178.15 178.69 1r1n h VAL 147 N -0.80 0.73 -0.11 1.67 2.07 -1.11 -0.41 116.25 118.29 1r1n h VAL 147 Ca -0.05 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.12 1r1n h VAL 147 Cb 0.53 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1r1n h VAL 147 CO 0.09 0.12 -0.36 0.00 0.02 0.00 0.00 177.57 177.44 1r1n h ALA 148 N 1.62 0.19 0.27 1.67 0.00 -0.95 -2.46 119.26 119.60 1r1n h ALA 148 Ca 0.53 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1r1n h ALA 148 Cb 0.93 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1r1n h ALA 148 CO -0.29 0.27 -0.18 0.82 0.00 0.00 0.00 179.25 179.87 1r1n h ILE 149 N 0.01 0.63 -0.75 0.00 2.04 -0.44 0.80 117.51 119.81 1r1n h ILE 149 Ca -0.01 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.02 1r1n h ILE 149 Cb 0.99 0.63 -0.12 0.00 -0.74 0.00 0.00 36.82 37.58 1r1n h ILE 149 CO 0.08 0.00 0.09 0.58 0.00 0.00 0.00 178.15 178.89 1r1n h VAL 150 N -0.44 0.41 0.00 1.67 2.07 -1.16 0.73 116.25 119.53 1r1n h VAL 150 Ca -0.02 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1r1n h VAL 150 Cb 0.37 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1r1n h VAL 150 CO 0.02 0.03 -0.20 0.11 0.02 0.00 0.00 177.57 177.55 1r1n h LYS 151 N 0.17 0.00 0.00 1.57 1.57 -0.90 0.77 116.57 119.75 1r1n h LYS 151 Ca 0.42 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.89 1r1n h LYS 151 Cb 0.74 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.99 1r1n h LYS 151 CO -0.60 0.20 -2.26 1.28 -0.57 0.00 0.00 179.45 177.50 1r1n n LEU 152 N -3.45 0.08 0.00 2.94 4.77 0.69 -4.74 117.00 117.29 1r1n n LEU 152 Ca -0.00 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1r1n n LEU 152 Cb 0.38 0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 1r1n n LEU 152 CO 0.32 0.41 -0.37 0.29 -1.33 0.00 0.00 177.39 176.72 1r1n n LYS 153 N -2.70 2.43 0.00 3.23 4.76 0.22 -5.07 118.16 121.03 1r1n n LYS 153 Ca -0.27 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.17 1r1n n LYS 153 Cb 1.06 -0.87 0.00 0.00 -1.84 0.00 0.00 35.03 33.38 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 2.15 3.08 0.37 0.72 0.00 0.26 -4.74 105.19 107.04 1r1n n GLY 154 Ca 0.00 -1.91 0.15 0.00 0.00 0.00 0.00 46.02 44.26 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 0.65 -0.29 1.61 4.81 -1.88 -2.84 114.58 116.64 1r1n h GLU 155 Ca 0.00 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1r1n h GLU 155 Cb 0.00 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 1r1n h GLU 155 CO 0.00 0.43 0.05 0.00 -0.73 0.00 0.00 179.01 178.76 1r1n h ALA 156 N 1.63 0.30 0.00 2.92 0.00 -1.95 -1.87 119.26 120.29 1r1n h ALA 156 Ca 0.55 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.44 1r1n h ALA 156 Cb 0.98 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1r1n h ALA 156 CO -0.32 -0.36 -0.37 0.00 0.00 0.00 0.00 179.25 178.20 1r1n h ALA 157 N 1.22 1.37 -0.13 0.00 0.00 -1.79 -1.87 119.26 118.06 1r1n h ALA 157 Ca 0.14 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1r1n h ALA 157 Cb 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1r1n h ALA 157 CO -0.18 0.46 -0.08 0.00 0.00 0.00 0.00 179.25 179.44 1r1n h ALA 158 N 1.63 0.18 -0.44 0.00 0.00 -1.39 -1.41 119.26 117.83 1r1n h ALA 158 Ca -0.00 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1r1n h ALA 158 Cb 0.66 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1r1n h ALA 158 CO 0.05 -0.01 -0.19 1.25 0.00 0.00 0.00 179.25 180.35 1r1n h LEU 159 N -0.09 0.87 -0.73 0.00 5.85 -1.27 -2.11 115.31 117.83 1r1n h LEU 159 Ca 0.03 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1r1n h LEU 159 Cb 0.57 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1r1n h LEU 159 CO 0.02 1.04 0.41 0.50 -0.34 0.00 0.00 178.44 180.08 1r1n h LYS 160 N 0.75 1.01 -0.66 1.25 3.64 -1.32 -0.48 116.57 120.77 1r1n h LYS 160 Ca 0.11 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1r1n h LYS 160 Cb 0.72 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1r1n h LYS 160 CO 0.06 0.75 0.38 2.35 -2.27 0.00 0.00 179.45 180.71 1r1n h TRP 161 N 1.01 0.89 -0.35 1.91 7.01 -1.03 -1.59 115.95 123.80 1r1n h TRP 161 Ca 0.26 -0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.17 1r1n h TRP 161 Cb 0.02 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.78 1r1n h TRP 161 CO -0.00 0.62 -0.09 -0.07 -2.79 0.00 0.00 178.44 176.11 1r1n h LEU 162 N 0.90 0.68 -1.07 0.65 3.38 -0.92 -2.14 115.31 116.78 1r1n h LEU 162 Ca 0.23 -0.37 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1r1n h LEU 162 Cb 0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1r1n h LEU 162 CO -0.04 0.89 -0.41 0.11 0.09 0.00 0.00 178.44 179.07 1r1n h LYS 163 N 0.46 0.11 -0.15 1.13 1.57 -0.96 -1.81 116.57 116.92 1r1n h LYS 163 Ca 0.09 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.64 1r1n h LYS 163 Cb 0.59 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1r1n h LYS 163 CO 0.04 0.50 -0.64 0.78 -0.57 0.00 0.00 179.45 179.56 1r1n h GLY 164 N 1.24 0.60 0.86 3.86 0.00 -1.24 -1.33 103.07 107.07 1r1n h GLY 164 Ca 0.01 -0.76 -0.04 0.00 0.00 0.00 0.00 47.33 46.53 1r1n h GLY 164 CO 0.06 0.68 0.02 1.41 0.00 0.00 0.00 176.54 178.71 1r1n h LEU 165 N 0.40 0.44 -1.58 3.11 3.38 -1.11 -0.21 115.31 119.73 1r1n h LEU 165 Ca -0.01 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1r1n h LEU 165 Cb 1.21 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1r1n h LEU 165 CO 0.12 0.62 0.15 0.50 0.09 0.00 0.00 178.44 179.92 1r1n h LYS 166 N 0.24 0.43 0.00 1.13 1.63 -1.28 0.17 116.57 118.89 1r1n h LYS 166 Ca 0.08 -0.04 -0.18 0.00 -0.85 0.00 0.00 60.65 59.66 1r1n h LYS 166 Cb 0.38 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.90 1r1n h LYS 166 CO 0.01 0.34 -0.84 1.49 -3.45 0.00 0.00 179.45 177.00 1r1n h GLU 167 N 0.44 0.00 0.00 1.90 4.57 -0.88 -3.44 114.58 117.17 1r1n h GLU 167 Ca 0.11 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1r1n h GLU 167 Cb 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1r1n h GLU 167 CO -0.02 0.84 -0.40 0.66 -1.18 0.00 0.00 179.01 178.91 1r1n n TYR 168 N -3.43 -0.21 0.00 0.92 4.02 -0.12 -4.91 117.16 113.42 1r1n n TYR 168 Ca 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 1r1n n TYR 168 Cb 0.83 0.08 0.00 0.00 -0.02 0.00 0.00 39.34 40.24 1r1n n TYR 168 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1r1n n GLY 169 N 3.00 -3.07 2.96 2.72 0.00 0.55 0.11 105.19 111.45 1r1n n GLY 169 Ca 0.00 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 1r1n n GLY 169 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1r1n s LYS 170 N -1.21 0.12 0.13 1.61 2.20 0.14 -4.45 119.74 118.29 1r1n s LYS 170 Ca 0.00 0.55 -0.30 0.00 -0.36 0.00 0.00 55.97 55.86 1r1n s LYS 170 Cb 0.00 -0.15 -0.06 0.00 -1.51 0.00 0.00 37.83 36.10 1r1n s LYS 170 CO 0.00 -0.22 1.06 -1.25 -0.36 0.00 0.00 175.35 174.58 1r1n s PRO 171 N 1.73 4.60 -0.05 4.03 0.04 -1.26 -0.75 135.00 143.35 1r1n s PRO 171 Ca -0.04 1.62 0.07 0.00 0.04 0.00 0.00 61.00 62.68 1r1n s PRO 171 Cb -0.11 -3.33 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 1r1n s PRO 171 CO -0.07 0.07 -0.25 0.71 0.04 0.00 0.00 177.00 177.49 1r1n s TYR 172 N 0.10 2.42 0.21 0.56 2.02 0.32 -4.89 117.35 118.09 1r1n s TYR 172 Ca 0.50 -0.63 -0.17 0.00 -0.37 0.00 0.00 57.07 56.40 1r1n s TYR 172 Cb -0.27 -1.57 0.20 0.00 -0.40 0.00 0.00 41.96 39.92 1r1n s TYR 172 CO 0.32 -0.16 1.59 0.00 -1.57 0.00 0.00 175.55 175.73 1r1n h ALA 173 N 5.88 0.17 -2.23 3.71 0.00 -1.94 -3.38 119.26 121.48 1r1n h ALA 173 Ca -0.35 0.22 -0.39 0.00 0.00 0.00 0.00 54.91 54.38 1r1n h ALA 173 Cb 1.16 0.72 -0.14 0.00 0.00 0.00 0.00 17.79 19.53 1r1n h ALA 173 CO 0.47 -0.57 -0.61 0.15 0.00 0.00 0.00 179.25 178.69 1r1n s LYS 174 N -6.08 1.51 0.08 0.00 -0.14 -1.26 -4.83 119.74 109.01 1r1n s LYS 174 Ca -0.14 -1.83 -0.32 0.00 -1.36 0.00 0.00 55.97 52.32 1r1n s LYS 174 Cb 0.18 -0.44 -0.18 0.00 -1.68 0.00 0.00 37.83 35.72 1r1n s LYS 174 CO 0.72 -0.28 1.64 -0.91 -0.76 0.00 0.00 175.35 175.75 1r1n h ASN 175 N 2.28 -0.72 -0.83 2.83 2.35 -1.97 -2.78 115.58 116.74 1r1n h ASN 175 Ca -0.39 0.03 0.22 0.00 -0.55 0.00 0.00 56.30 55.62 1r1n h ASN 175 Cb 1.25 0.20 -0.04 0.00 0.05 0.00 0.00 38.32 39.77 1r1n h ASN 175 CO 0.63 -0.49 0.58 0.77 -1.65 0.00 0.00 177.43 177.27 1r1n h SER 176 N -0.79 0.13 0.32 5.81 4.64 -1.98 0.19 113.55 121.87 1r1n h SER 176 Ca -0.07 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.15 1r1n h SER 176 Cb 0.62 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1r1n h SER 176 CO 0.10 0.05 -0.46 0.58 -0.87 0.00 0.00 176.83 176.24 1r1n h VAL 177 N 0.13 1.33 0.00 0.95 2.07 -1.90 -1.36 116.25 117.47 1r1n h VAL 177 Ca 0.41 -1.63 -0.16 0.00 0.82 0.00 0.00 66.70 66.13 1r1n h VAL 177 Cb 1.41 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 1r1n h VAL 177 CO -0.06 0.48 -0.78 0.00 0.02 0.00 0.00 177.57 177.23 1r1n h ALA 178 N 1.38 0.65 0.01 1.67 0.00 -0.46 -2.75 119.26 119.76 1r1n h ALA 178 Ca 0.01 -0.71 -0.06 0.00 0.00 0.00 0.00 54.91 54.15 1r1n h ALA 178 Cb 0.87 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1r1n h ALA 178 CO 0.07 0.97 -0.26 1.25 0.00 0.00 0.00 179.25 181.28 1r1n h LEU 179 N 0.00 0.21 -1.22 0.00 5.85 -1.13 -2.90 115.31 116.12 1r1n h LEU 179 Ca -0.01 -0.80 0.06 0.00 0.84 0.00 0.00 57.88 57.97 1r1n h LEU 179 Cb 1.43 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.34 1r1n h LEU 179 CO 0.10 0.99 0.55 -0.61 -0.34 0.00 0.00 178.44 179.13 1r1n h GLN 180 N -0.54 0.93 -0.86 1.25 4.15 -1.33 0.96 115.11 119.67 1r1n h GLN 180 Ca -0.03 -0.06 0.04 0.00 0.77 0.00 0.00 58.65 59.37 1r1n h GLN 180 Cb 1.04 -0.21 -0.05 0.00 0.21 0.00 0.00 27.48 28.47 1r1n h GLN 180 CO 0.05 0.62 0.55 0.00 -1.93 0.00 0.00 178.83 178.11 1r1n h ALA 181 N 1.54 1.13 -0.09 3.38 0.00 -1.51 0.33 119.26 124.04 1r1n h ALA 181 Ca 0.36 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.06 1r1n h ALA 181 Cb 0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1r1n h ALA 181 CO -0.12 0.38 -0.68 0.28 0.00 0.00 0.00 179.25 179.11 1r1n h VAL 182 N 1.06 1.38 0.00 0.00 2.07 -0.99 -0.42 116.25 119.34 1r1n h VAL 182 Ca 0.34 -2.07 -0.04 0.00 0.82 0.00 0.00 66.70 65.75 1r1n h VAL 182 Cb 0.03 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1r1n h VAL 182 CO -0.12 0.62 -0.20 -0.08 0.02 0.00 0.00 177.57 177.81 1r1n h GLU 183 N 0.26 0.00 0.00 1.57 4.57 0.12 -3.09 114.58 118.01 1r1n h GLU 183 Ca -0.02 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.04 1r1n h GLU 183 Cb 1.23 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.80 1r1n h GLU 183 CO 0.11 0.20 -1.05 -0.91 -1.18 0.00 0.00 179.01 176.18 1r1n h ASN 184 N 0.00 0.00 0.00 1.04 2.35 -0.26 -3.47 115.58 115.24 1r1n h ASN 184 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1r1n h ASN 184 Cb 0.90 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 1r1n h ASN 184 CO 0.03 0.45 0.00 0.61 -1.65 0.00 0.00 177.43 176.87 1r1n n GLY 185 N 1.31 1.06 0.08 2.83 0.00 -0.96 -4.98 105.19 104.53 1r1n n GLY 185 Ca -0.05 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 0.08 -2.92 1.61 5.08 -1.35 -3.46 114.58 113.62 1r1n h GLU 186 Ca 0.00 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.11 1r1n h GLU 186 Cb 0.03 0.04 -0.23 0.00 0.50 0.00 0.00 28.75 29.09 1r1n h GLU 186 CO 0.00 1.01 -0.30 -1.50 -1.00 0.00 0.00 179.01 177.22 1r1n s ILE 187 N -2.84 0.02 0.07 3.13 2.07 -1.21 -5.02 121.20 117.41 1r1n s ILE 187 Ca -0.01 -0.13 -0.21 0.00 -1.41 0.00 0.00 60.65 58.90 1r1n s ILE 187 Cb 0.10 -0.53 -0.08 0.00 0.13 0.00 0.00 42.46 42.08 1r1n s ILE 187 CO 0.83 -0.07 1.34 0.44 -1.91 0.00 0.00 174.94 175.57 1r1n h ASP 188 N 5.11 -1.03 -4.82 4.50 5.19 -1.84 -3.38 116.42 120.15 1r1n h ASP 188 Ca -0.27 0.12 -0.49 0.00 -0.62 0.00 0.00 57.03 55.76 1r1n h ASP 188 Cb 1.18 0.40 -0.12 0.00 0.18 0.00 0.00 39.33 40.96 1r1n h ASP 188 CO 0.32 -0.31 -0.46 0.00 -3.12 0.00 0.00 179.24 175.67 1r1n n ALA 189 N -2.80 0.67 -3.54 3.45 0.00 -0.78 -1.57 120.51 115.93 1r1n n ALA 189 Ca -0.04 -1.95 -0.16 0.00 0.00 0.00 0.00 53.44 51.29 1r1n n ALA 189 Cb 0.24 1.50 -0.06 0.00 0.00 0.00 0.00 19.45 21.13 1r1n n ALA 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r1n s ALA 190 N -3.27 -1.82 -0.30 0.00 0.00 -0.72 -1.21 121.76 114.45 1r1n s ALA 190 Ca 0.34 1.44 -0.21 0.00 0.00 0.00 0.00 51.96 53.53 1r1n s ALA 190 Cb 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 1r1n s ALA 190 CO 0.24 -0.35 0.67 -0.51 0.00 0.00 0.00 175.76 175.81 1r1n s LEU 191 N -1.05 4.12 0.00 0.00 1.02 -0.73 -2.11 118.68 119.93 1r1n s LEU 191 Ca -0.08 0.52 0.00 0.00 0.02 0.00 0.00 54.13 54.59 1r1n s LEU 191 Cb -0.00 -2.88 0.00 0.00 0.02 0.00 0.00 46.19 43.32 1r1n s LEU 191 CO 0.07 -0.50 0.00 2.30 0.02 0.00 0.00 176.35 178.24 1r1n n ILE 192 N 5.40 0.00 -4.14 -0.59 -5.35 -0.45 -4.61 119.36 109.62 1r1n n ILE 192 Ca 0.00 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.14 1r1n n ILE 192 Cb 0.49 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.29 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 -0.88 5.48 0.53 7.28 0.01 -1.26 0.56 114.94 126.66 1r1n s ASN 193 Ca 0.00 0.10 0.24 0.00 -0.71 0.00 0.00 52.86 52.49 1r1n s ASN 193 Cb 0.00 -1.83 1.38 0.00 0.41 0.00 0.00 41.25 41.21 1r1n s ASN 193 CO 0.00 0.24 2.02 -0.55 -1.51 0.00 0.00 177.10 177.30 1r1n h ASN 194 N 6.18 0.00 -0.47 -1.22 -1.07 -1.65 -2.60 115.58 114.75 1r1n h ASN 194 Ca -0.41 0.00 -0.05 0.00 0.07 0.00 0.00 56.30 55.91 1r1n h ASN 194 Cb 1.18 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.41 1r1n h ASN 194 CO 0.65 0.00 0.09 0.10 0.07 0.00 0.00 177.43 178.34 1r1n h TYR 195 N 0.00 0.82 -0.01 4.14 -0.00 -1.82 -2.88 116.97 117.21 1r1n h TYR 195 Ca 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 58.73 58.83 1r1n h TYR 195 Cb 0.85 -0.23 -0.00 0.00 0.00 0.00 0.00 36.73 37.35 1r1n h TYR 195 CO 0.00 0.75 0.01 1.88 -0.00 0.00 0.00 178.16 180.80 1r1n h TYR 196 N 0.65 0.00 0.13 0.10 0.99 -1.87 -3.11 116.97 113.85 1r1n h TYR 196 Ca 0.15 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.63 1r1n h TYR 196 Cb 0.36 0.00 0.01 0.00 1.00 0.00 0.00 36.73 38.10 1r1n h TYR 196 CO 0.02 0.00 -1.21 2.35 -0.00 0.00 0.00 178.16 179.32 1r1n h TRP 197 N 0.00 0.49 -0.97 4.88 7.01 -1.62 -3.27 115.95 122.47 1r1n h TRP 197 Ca 0.00 -0.36 0.10 0.00 2.11 0.00 0.00 58.89 60.75 1r1n h TRP 197 Cb 0.02 -0.02 -0.08 0.00 -2.10 0.00 0.00 29.16 26.98 1r1n h TRP 197 CO 0.00 1.47 0.60 0.45 -2.79 0.00 0.00 178.44 178.17 1r1n h HIS 198 N -0.32 1.10 0.00 2.65 3.86 -1.47 0.18 115.15 121.15 1r1n h HIS 198 Ca -0.25 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 58.97 1r1n h HIS 198 Cb 1.73 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 29.84 1r1n h HIS 198 CO 0.15 0.47 -0.12 0.00 0.86 0.00 0.00 177.93 179.29 1r1n h ALA 199 N 1.50 1.12 0.15 2.45 0.00 -1.68 -2.07 119.26 120.73 1r1n h ALA 199 Ca 0.46 -0.11 -0.22 0.00 0.00 0.00 0.00 54.91 55.04 1r1n h ALA 199 Cb 0.39 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.18 1r1n h ALA 199 CO -0.24 0.15 -1.04 0.35 0.00 0.00 0.00 179.25 178.47 1r1n h PHE 200 N 0.00 0.56 -0.34 0.00 3.57 -1.04 -3.10 116.94 116.59 1r1n h PHE 200 Ca -0.00 -0.41 -0.13 0.00 3.53 0.00 0.00 57.97 60.96 1r1n h PHE 200 Cb 0.47 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1r1n h PHE 200 CO 0.00 1.40 -0.30 0.00 -2.23 0.00 0.00 178.31 177.18 1r1n h ALA 201 N 0.05 0.83 -0.49 2.41 0.00 -1.26 -1.73 119.26 119.08 1r1n h ALA 201 Ca -0.20 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 1r1n h ALA 201 Cb 1.73 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1r1n h ALA 201 CO 0.14 0.64 0.09 -0.09 0.00 0.00 0.00 179.25 180.03 1r1n h ARG 202 N 0.62 0.80 0.24 0.00 2.43 -1.51 0.80 114.38 117.77 1r1n h ARG 202 Ca 0.07 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1r1n h ARG 202 Cb 0.82 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1r1n h ARG 202 CO 0.07 0.79 -0.12 1.49 -1.51 0.00 0.00 179.97 180.70 1r1n h GLU 203 N 0.68 -0.31 0.23 0.20 4.81 -1.46 -3.35 114.58 115.37 1r1n h GLU 203 Ca 0.15 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1r1n h GLU 203 Cb 0.37 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1r1n h GLU 203 CO 0.01 -0.09 -0.11 0.87 -0.73 0.00 0.00 179.01 178.95 1r1n h LYS 204 N -0.49 -0.30 0.00 1.92 1.79 -1.30 -3.50 116.57 114.69 1r1n h LYS 204 Ca -0.03 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1r1n h LYS 204 Cb 0.36 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1r1n h LYS 204 CO 0.05 -0.20 0.00 0.41 -1.08 0.00 0.00 179.45 178.63 1r1n n GLY 205 N 0.93 3.08 0.48 3.86 0.00 0.28 -4.87 105.19 108.94 1r1n n GLY 205 Ca -0.04 -0.59 0.40 0.00 0.00 0.00 0.00 46.02 45.80 1r1n n GLY 205 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1r1n n VAL 206 N 0.00 -0.23 0.38 1.61 3.14 -0.97 0.11 118.33 122.37 1r1n n VAL 206 Ca 0.00 1.75 0.12 0.00 -2.96 0.00 0.00 64.34 63.25 1r1n n VAL 206 Cb 0.00 -2.86 0.50 0.00 -1.06 0.00 0.00 33.84 30.42 1r1n n VAL 206 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1r1n n GLN 207 N -4.62 0.20 -0.03 1.45 1.13 -1.26 -1.81 117.38 112.43 1r1n n GLN 207 Ca 0.40 0.44 0.09 0.00 -1.94 0.00 0.00 57.00 55.99 1r1n n GLN 207 Cb 1.56 -1.89 0.09 0.00 0.11 0.00 0.00 30.24 30.12 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 -2.27 2.62 -4.55 1.08 5.03 0.30 -4.91 115.26 112.55 1r1n n ASN 208 Ca 0.02 -1.78 -0.35 0.00 0.87 0.00 0.00 54.58 53.33 1r1n n ASN 208 Cb 0.22 -0.04 -0.11 0.00 -1.02 0.00 0.00 39.78 38.83 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 -1.46 4.59 -0.12 2.41 1.01 -0.75 -4.97 120.40 121.11 1r1n s VAL 209 Ca 0.23 -0.09 0.17 0.00 0.00 0.00 0.00 61.98 62.28 1r1n s VAL 209 Cb 0.16 -3.10 -0.14 0.00 0.00 0.00 0.00 36.38 33.30 1r1n s VAL 209 CO 0.23 0.40 0.82 0.45 0.00 0.00 0.00 175.10 177.01 1r1n h HIS 210 N 7.38 0.00 -4.13 5.22 3.86 -1.90 -3.48 115.15 122.10 1r1n h HIS 210 Ca -0.37 0.00 -0.48 0.00 -1.16 0.00 0.00 60.37 58.36 1r1n h HIS 210 Cb 1.17 0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.69 1r1n h HIS 210 CO 0.61 0.60 0.38 0.95 0.86 0.00 0.00 177.93 181.34 1r1n s THR 211 N -2.91 3.78 0.03 2.45 -4.23 -1.26 -2.82 115.64 110.68 1r1n s THR 211 Ca -0.03 0.99 -0.04 0.00 -1.18 0.00 0.00 61.69 61.44 1r1n s THR 211 Cb 0.09 -3.42 -0.01 0.00 1.34 0.00 0.00 72.50 70.49 1r1n s THR 211 CO 0.81 -0.35 0.05 -0.13 -0.54 0.00 0.00 174.62 174.46 1r1n s ARG 212 N -3.59 0.48 0.12 3.99 1.81 -0.55 -4.92 118.95 116.28 1r1n s ARG 212 Ca 0.66 -0.69 -0.08 0.00 -1.72 0.00 0.00 55.73 53.90 1r1n s ARG 212 Cb -0.16 0.18 -0.06 0.00 -0.45 0.00 0.00 34.95 34.46 1r1n s ARG 212 CO 0.27 -0.10 0.42 -0.51 -0.68 0.00 0.00 175.30 174.70 1r1n s LEU 213 N -1.84 4.29 -0.03 2.53 1.43 -1.26 -0.30 118.68 123.49 1r1n s LEU 213 Ca -0.09 0.75 0.04 0.00 -1.03 0.00 0.00 54.13 53.79 1r1n s LEU 213 Cb -0.04 -3.20 -0.00 0.00 0.03 0.00 0.00 46.19 42.97 1r1n s LEU 213 CO -0.03 0.09 -0.14 0.21 0.23 0.00 0.00 176.35 176.72 1r1n s ASN 214 N -2.08 1.77 -0.14 2.29 3.84 0.12 -4.96 114.94 115.78 1r1n s ASN 214 Ca 0.38 -0.28 0.01 0.00 0.21 0.00 0.00 52.86 53.18 1r1n s ASN 214 Cb -0.13 -0.47 -0.00 0.00 -0.55 0.00 0.00 41.25 40.10 1r1n s ASN 214 CO 0.21 0.12 -0.18 -0.36 -2.79 0.00 0.00 177.10 174.10 1r1n s PHE 215 N 0.08 2.72 0.12 0.43 0.40 -1.26 -2.09 117.98 118.37 1r1n s PHE 215 Ca -0.03 -1.04 -0.05 0.00 -0.60 0.00 0.00 56.93 55.21 1r1n s PHE 215 Cb -0.10 -1.83 -0.14 0.00 0.51 0.00 0.00 43.02 41.46 1r1n s PHE 215 CO 0.01 -0.45 1.26 -0.39 0.70 0.00 0.00 175.22 176.36 1r1n h VAL 216 N 5.67 1.41 -0.38 -0.44 -1.51 -1.90 -3.49 116.25 115.61 1r1n h VAL 216 Ca -0.29 -2.56 0.00 0.00 -1.23 0.00 0.00 66.70 62.62 1r1n h VAL 216 Cb 1.20 2.53 0.00 0.00 -2.13 0.00 0.00 31.29 32.89 1r1n h VAL 216 CO 0.54 0.76 0.00 0.54 -1.23 0.00 0.00 177.57 178.19 1r1n n ARG 217 N -3.71 0.00 -3.20 5.19 1.74 -1.25 -4.88 116.66 110.55 1r1n n ARG 217 Ca -0.07 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.77 1r1n n ARG 217 Cb 0.88 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 32.35 1r1n n ARG 217 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1r1n n HIS 218 N 0.00 -2.10 -2.60 -1.55 8.25 -1.26 -1.91 115.22 114.06 1r1n n HIS 218 Ca 0.00 0.61 -0.10 0.00 -0.26 0.00 0.00 57.72 57.96 1r1n n HIS 218 Cb 0.00 -4.32 -0.01 0.00 1.12 0.00 0.00 29.99 26.78 1r1n n HIS 218 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1r1n n ARG 219 N -4.17 -2.58 -1.66 -0.41 5.12 -0.20 -4.90 116.66 107.87 1r1n n ARG 219 Ca -0.07 0.39 -0.32 0.00 -1.93 0.00 0.00 57.85 55.92 1r1n n ARG 219 Cb 0.60 -4.97 0.05 0.00 -1.16 0.00 0.00 32.46 26.97 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 -2.12 5.34 0.36 0.55 2.15 -0.80 -4.47 116.67 117.68 1r1n s ASP 220 Ca 0.06 1.72 0.27 0.00 0.43 0.00 0.00 52.55 55.03 1r1n s ASP 220 Cb -0.03 -2.51 1.01 0.00 -0.30 0.00 0.00 42.92 41.08 1r1n s ASP 220 CO 0.07 -1.47 1.79 -0.65 -0.17 0.00 0.00 175.17 174.75 1r1n h PRO 221 N -0.44 0.00 0.00 4.34 0.11 -1.90 -2.43 132.00 131.67 1r1n h PRO 221 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1r1n h PRO 221 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1r1n h PRO 221 CO 0.56 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.76 1r1n n GLY 222 N 0.34 -1.45 1.69 -0.55 0.00 -1.26 -3.17 105.19 100.79 1r1n n GLY 222 Ca 0.02 -0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.48 3.51 -1.68 4.61 0.00 -0.91 -4.57 120.51 119.99 1r1n n ALA 223 Ca 0.07 -1.66 -0.47 0.00 0.00 0.00 0.00 53.44 51.39 1r1n n ALA 223 Cb 0.32 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 1r1n n ALA 223 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1r1n n LEU 224 N 0.76 3.62 -4.33 0.00 7.94 -1.19 -4.29 117.00 119.51 1r1n n LEU 224 Ca 0.25 0.96 -0.34 0.00 -1.11 0.00 0.00 56.01 55.77 1r1n n LEU 224 Cb 1.02 -1.42 -0.14 0.00 0.53 0.00 0.00 43.42 43.41 1r1n n LEU 224 CO 0.27 0.00 -0.41 -0.69 -1.11 0.00 0.00 177.39 175.45 1r1n s VAL 225 N 3.89 3.23 -0.11 1.96 1.01 -1.26 -1.95 120.40 127.17 1r1n s VAL 225 Ca 0.91 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 62.19 1r1n s VAL 225 Cb -0.62 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 1r1n s VAL 225 CO 0.48 0.47 0.31 0.42 0.00 0.00 0.00 175.10 176.78 1r1n s THR 226 N 1.05 5.26 0.08 3.92 -4.23 -0.31 -4.89 115.64 116.51 1r1n s THR 226 Ca 0.00 0.60 0.01 0.00 -1.18 0.00 0.00 61.69 61.13 1r1n s THR 226 Cb -0.15 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.02 1r1n s THR 226 CO -0.01 0.46 0.18 -0.31 -0.54 0.00 0.00 174.62 174.40 1r1n s TYR 227 N -0.11 3.41 0.26 3.99 1.51 -1.26 -1.37 117.35 123.78 1r1n s TYR 227 Ca 0.19 0.18 0.10 0.00 -1.01 0.00 0.00 57.07 56.53 1r1n s TYR 227 Cb -0.14 -1.70 -0.05 0.00 -0.11 0.00 0.00 41.96 39.97 1r1n s TYR 227 CO 0.07 0.56 -0.09 -1.12 -1.11 0.00 0.00 175.55 173.86 1r1n s SER 228 N -2.57 4.14 0.13 2.29 0.01 -0.30 -3.66 113.70 113.75 1r1n s SER 228 Ca 0.33 -0.79 -0.03 0.00 1.31 0.00 0.00 55.95 56.77 1r1n s SER 228 Cb -0.12 -0.62 0.01 0.00 0.21 0.00 0.00 66.02 65.50 1r1n s SER 228 CO 0.26 0.03 0.23 0.61 0.41 0.00 0.00 173.24 174.78 1r1n n GLY 229 N -0.68 2.20 3.18 3.44 0.00 -0.91 -0.02 105.19 112.39 1r1n n GLY 229 Ca -0.06 -1.28 -0.11 0.00 0.00 0.00 0.00 46.02 44.56 1r1n n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r1n s ALA 230 N -1.69 -0.46 0.11 4.61 0.00 -0.95 -2.45 121.76 120.92 1r1n s ALA 230 Ca 0.08 -0.11 -0.12 0.00 0.00 0.00 0.00 51.96 51.81 1r1n s ALA 230 Cb -0.01 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.33 1r1n s ALA 230 CO 0.06 -0.31 0.30 0.00 0.00 0.00 0.00 175.76 175.82 1r1n s ALA 231 N -2.03 -0.57 0.10 0.00 0.00 -0.68 -2.06 121.76 116.51 1r1n s ALA 231 Ca -0.09 -0.35 0.06 0.00 0.00 0.00 0.00 51.96 51.58 1r1n s ALA 231 Cb -0.03 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 1r1n s ALA 231 CO -0.01 -0.59 -0.06 0.08 0.00 0.00 0.00 175.76 175.18 1r1n s VAL 232 N -3.84 3.64 0.01 0.00 1.01 -1.26 0.14 120.40 120.10 1r1n s VAL 232 Ca 0.05 -1.16 -0.05 0.00 0.00 0.00 0.00 61.98 60.82 1r1n s VAL 232 Cb 0.03 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1r1n s VAL 232 CO -0.11 0.11 0.24 -0.76 0.00 0.00 0.00 175.10 174.58 1r1n s LEU 233 N -2.26 4.36 0.25 3.92 1.02 -1.17 -0.21 118.68 124.60 1r1n s LEU 233 Ca 0.23 0.47 0.22 0.00 0.02 0.00 0.00 54.13 55.07 1r1n s LEU 233 Cb -0.11 -2.69 0.98 0.00 0.02 0.00 0.00 46.19 44.38 1r1n s LEU 233 CO 0.16 0.24 1.66 0.29 0.02 0.00 0.00 176.35 178.72 1r1n n LYS 234 N 0.98 0.16 -0.02 1.70 5.02 0.16 -1.55 118.16 124.60 1r1n n LYS 234 Ca -0.10 0.47 0.13 0.00 -2.02 0.00 0.00 58.31 56.79 1r1n n LYS 234 Cb 0.53 -1.86 0.47 0.00 -0.02 0.00 0.00 35.03 34.14 1r1n n LYS 234 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1r1n n SER 235 N -2.18 1.65 -4.77 4.39 3.41 -1.26 -4.94 113.62 109.93 1r1n n SER 235 Ca 0.01 -1.58 -0.39 0.00 -0.26 0.00 0.00 58.87 56.65 1r1n n SER 235 Cb 0.17 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.08 1r1n n SER 235 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1r1n s SER 236 N -1.91 6.53 0.00 4.04 0.15 -0.60 -4.80 113.70 117.12 1r1n s SER 236 Ca 0.36 2.56 0.15 0.00 0.70 0.00 0.00 55.95 59.73 1r1n s SER 236 Cb 0.20 -2.63 -0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1r1n s SER 236 CO 0.32 -0.69 0.81 0.00 1.20 0.00 0.00 173.24 174.88 1r1n n GLN 237 N 0.34 1.75 -2.26 5.44 6.02 -1.26 -4.30 117.38 123.10 1r1n n GLN 237 Ca 0.03 -0.77 -0.19 0.00 -0.01 0.00 0.00 57.00 56.06 1r1n n GLN 237 Cb 0.44 -1.24 0.02 0.00 1.02 0.00 0.00 30.24 30.49 1r1n n GLN 237 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1r1n n ASN 238 N -0.15 4.12 -0.04 1.08 4.13 -1.26 -4.81 115.26 118.34 1r1n n ASN 238 Ca 0.06 -3.38 0.15 0.00 1.68 0.00 0.00 54.58 53.09 1r1n n ASN 238 Cb 0.31 -0.39 0.57 0.00 -1.54 0.00 0.00 39.78 38.73 1r1n n ASN 238 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1r1n h LYS 239 N 2.35 0.25 0.00 3.52 1.57 -1.94 0.19 116.57 122.51 1r1n h LYS 239 Ca 0.25 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.04 1r1n h LYS 239 Cb 1.39 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.60 1r1n h LYS 239 CO 0.65 0.16 -0.31 0.38 -0.57 0.00 0.00 179.45 179.76 1r1n h ASP 240 N 0.25 -0.94 0.10 0.86 2.03 -1.95 -1.85 116.42 114.92 1r1n h ASP 240 Ca 0.26 0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.68 1r1n h ASP 240 Cb 0.68 0.38 0.00 0.00 -0.83 0.00 0.00 39.33 39.55 1r1n h ASP 240 CO -0.05 -0.38 -0.34 -1.84 -1.03 0.00 0.00 179.24 175.60 1r1n n GLU 241 N -5.41 1.10 0.00 4.15 0.28 -0.88 -3.49 120.64 116.39 1r1n n GLU 241 Ca -0.05 -0.80 -0.17 0.00 -0.16 0.00 0.00 57.16 55.97 1r1n n GLU 241 Cb 0.32 -1.48 -0.10 0.00 1.43 0.00 0.00 31.44 31.60 1r1n n GLU 241 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1r1n h ALA 242 N 3.84 0.10 0.16 -1.84 0.00 -0.43 -2.45 119.26 118.65 1r1n h ALA 242 Ca 0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 1r1n h ALA 242 Cb 0.64 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1r1n h ALA 242 CO 0.00 0.39 -0.10 0.87 0.00 0.00 0.00 179.25 180.40 1r1n h LYS 243 N -0.02 -0.25 -1.08 0.00 1.57 -1.45 -2.04 116.57 113.31 1r1n h LYS 243 Ca -0.07 0.02 0.29 0.00 -1.87 0.00 0.00 60.65 59.02 1r1n h LYS 243 Cb 1.31 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 33.59 1r1n h LYS 243 CO 0.12 -0.17 0.71 0.87 -0.57 0.00 0.00 179.45 180.41 1r1n h LYS 244 N -0.26 0.29 -0.07 3.15 1.57 -1.59 0.22 116.57 119.89 1r1n h LYS 244 Ca -0.01 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1r1n h LYS 244 Cb 0.22 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1r1n h LYS 244 CO 0.01 0.19 -0.06 0.35 -0.57 0.00 0.00 179.45 179.37 1r1n h PHE 245 N 0.30 0.19 -0.24 -1.35 3.57 -0.88 -0.82 116.94 117.71 1r1n h PHE 245 Ca 0.60 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.99 1r1n h PHE 245 Cb 1.71 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.39 1r1n h PHE 245 CO -0.00 0.60 -0.10 0.28 -2.23 0.00 0.00 178.31 176.86 1r1n h VAL 246 N -0.27 1.20 -0.33 1.41 2.07 -0.63 -0.14 116.25 119.57 1r1n h VAL 246 Ca 0.01 -0.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.57 1r1n h VAL 246 Cb 0.56 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1r1n h VAL 246 CO 0.02 0.28 -0.21 0.00 0.02 0.00 0.00 177.57 177.68 1r1n h ALA 247 N 1.53 1.03 -0.14 1.67 0.00 -0.55 -2.06 119.26 120.75 1r1n h ALA 247 Ca 0.07 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1r1n h ALA 247 Cb 0.40 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1r1n h ALA 247 CO 0.02 0.58 -0.06 0.35 0.00 0.00 0.00 179.25 180.14 1r1n h PHE 248 N 0.55 0.33 -0.93 0.00 3.57 -0.35 -0.28 116.94 119.82 1r1n h PHE 248 Ca 0.08 -0.08 0.20 0.00 3.53 0.00 0.00 57.97 61.70 1r1n h PHE 248 Cb 0.65 -0.08 -0.11 0.00 2.79 0.00 0.00 35.95 39.21 1r1n h PHE 248 CO 0.03 0.61 0.50 -0.07 -2.23 0.00 0.00 178.31 177.15 1r1n h LEU 249 N -0.05 0.56 0.00 0.59 3.38 -0.71 -0.09 115.31 118.98 1r1n h LEU 249 Ca 0.03 0.12 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 1r1n h LEU 249 Cb 0.53 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1r1n h LEU 249 CO 0.02 0.15 -0.93 0.00 0.09 0.00 0.00 178.44 177.77 1r1n h ALA 250 N 1.65 0.66 -2.49 1.53 0.00 -1.32 -3.35 119.26 115.95 1r1n h ALA 250 Ca 0.55 -0.52 -0.51 0.00 0.00 0.00 0.00 54.91 54.43 1r1n h ALA 250 Cb 0.94 0.09 0.11 0.00 0.00 0.00 0.00 17.79 18.92 1r1n h ALA 250 CO -0.44 0.61 0.38 0.20 0.00 0.00 0.00 179.25 180.00 1r1n s GLY 251 N -4.57 2.21 0.19 0.00 0.00 -0.05 -4.68 107.32 100.42 1r1n s GLY 251 Ca 0.01 0.61 -0.16 0.00 0.00 0.00 0.00 44.72 45.17 1r1n s GLY 251 CO 0.77 0.97 1.63 1.70 0.00 0.00 0.00 173.10 178.17 1r1n h LYS 252 N 0.05 -0.05 -0.64 2.90 3.64 -1.90 0.43 116.57 121.00 1r1n h LYS 252 Ca -0.47 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.94 1r1n h LYS 252 Cb 1.25 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.05 1r1n h LYS 252 CO 0.54 -0.03 0.41 1.49 -2.27 0.00 0.00 179.45 179.58 1r1n h GLU 253 N -0.05 0.78 -0.42 1.90 4.81 -1.93 0.52 114.58 120.19 1r1n h GLU 253 Ca 0.25 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1r1n h GLU 253 Cb 0.44 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1r1n h GLU 253 CO -0.57 0.52 0.05 0.78 -0.73 0.00 0.00 179.01 179.05 1r1n h GLY 254 N 0.80 0.70 1.73 1.92 0.00 -1.23 -1.35 103.07 105.64 1r1n h GLY 254 Ca 0.25 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 47.07 1r1n h GLY 254 CO -0.09 0.38 -0.36 1.46 0.00 0.00 0.00 176.54 177.94 1r1n h GLN 255 N 0.62 0.30 -0.00 4.80 1.08 -0.06 -2.78 115.11 119.08 1r1n h GLN 255 Ca 0.14 -0.13 -0.15 0.00 -1.45 0.00 0.00 58.65 57.06 1r1n h GLN 255 Cb 0.32 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 1r1n h GLN 255 CO 0.01 0.62 -0.70 0.00 -0.95 0.00 0.00 178.83 177.81 1r1n h ARG 256 N 0.26 0.02 0.01 1.46 3.08 -0.09 -2.11 114.38 117.02 1r1n h ARG 256 Ca 0.03 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1r1n h ARG 256 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1r1n h ARG 256 CO 0.06 0.71 -0.01 0.00 -1.07 0.00 0.00 179.97 179.66 1r1n h ALA 257 N 1.28 -0.02 -0.15 0.04 0.00 -1.03 -2.57 119.26 116.82 1r1n h ALA 257 Ca -0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1r1n h ALA 257 Cb 1.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1r1n h ALA 257 CO 0.09 -0.30 0.09 1.25 0.00 0.00 0.00 179.25 180.38 1r1n h LEU 258 N -0.44 0.19 0.00 0.00 5.85 -1.53 -2.74 115.31 116.64 1r1n h LEU 258 Ca -0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1r1n h LEU 258 Cb 0.43 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1r1n h LEU 258 CO 0.00 0.19 0.00 0.35 -0.34 0.00 0.00 178.44 178.64 1r1n n THR 259 N -4.95 0.00 0.18 1.05 -2.24 -0.79 0.50 114.28 108.03 1r1n n THR 259 Ca -0.04 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.85 1r1n n THR 259 Cb 0.06 -0.51 0.05 0.00 -2.10 0.00 0.00 70.33 67.82 1r1n n THR 259 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r1n h ALA 260 N 3.25 0.58 0.00 6.98 0.00 -1.13 -2.97 119.26 125.96 1r1n h ALA 260 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r1n h ALA 260 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1r1n h ALA 260 CO 0.00 0.00 -0.76 1.33 0.00 0.00 0.00 179.25 179.82 1r1n n VAL 261 N -2.67 0.00 -4.40 0.00 0.24 -0.82 -4.94 118.33 105.75 1r1n n VAL 261 Ca 0.01 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.99 1r1n n VAL 261 Cb 0.53 -0.52 -0.10 0.00 -1.47 0.00 0.00 33.84 32.28 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 -1.71 2.63 -0.34 7.34 6.06 0.18 -4.97 118.95 128.15 1r1n s ARG 262 Ca 0.00 -0.68 0.00 0.00 -2.50 0.00 0.00 55.73 52.55 1r1n s ARG 262 Cb 0.00 -2.56 0.32 0.00 0.06 0.00 0.00 34.95 32.77 1r1n s ARG 262 CO 0.00 0.61 1.81 0.00 -2.50 0.00 0.00 175.30 175.22 1r1n n ALA 263 N 1.51 4.91 -2.70 6.12 0.00 -1.26 -4.20 120.51 124.89 1r1n n ALA 263 Ca -0.15 -1.90 -0.36 0.00 0.00 0.00 0.00 53.44 51.03 1r1n n ALA 263 Cb 0.53 -1.37 -0.08 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.11 4.18 0.04 0.00 2.02 -1.26 -4.65 118.70 116.91 1r1n s GLU 264 Ca 0.36 -0.08 -0.35 0.00 0.02 0.00 0.00 54.97 54.92 1r1n s GLU 264 Cb 0.29 -3.47 -0.14 0.00 0.10 0.00 0.00 34.13 30.91 1r1n s GLU 264 CO 0.03 0.17 1.59 0.66 0.02 0.00 0.00 175.26 177.73 1r1n n TYR 265 N 3.89 2.06 -2.44 1.61 4.02 0.21 -4.67 117.16 121.84 1r1n n TYR 265 Ca -0.13 0.34 -0.41 0.00 -0.01 0.00 0.00 57.90 57.69 1r1n n TYR 265 Cb 0.52 -2.50 -0.04 0.00 -0.02 0.00 0.00 39.34 37.30 1r1n n TYR 265 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1r1n s PRO 266 N 1.73 4.53 0.27 -0.72 0.02 -1.26 -1.66 135.00 137.91 1r1n s PRO 266 Ca 0.85 1.80 0.18 0.00 0.02 0.00 0.00 61.00 63.86 1r1n s PRO 266 Cb -0.80 -3.27 0.09 0.00 0.02 0.00 0.00 34.50 30.54 1r1n s PRO 266 CO 0.46 -0.03 1.32 -0.07 -0.33 0.00 0.00 177.00 178.34 1r1n h LEU 267 N 5.33 0.00 -9.24 -5.54 3.38 -1.87 -3.43 115.31 103.94 1r1n h LEU 267 Ca -0.44 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.97 1r1n h LEU 267 Cb 1.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1r1n h LEU 267 CO 0.74 0.31 0.81 0.21 0.09 0.00 0.00 178.44 180.61 1r1n s ASN 268 N -6.11 6.98 0.10 -0.43 3.84 -1.26 -4.66 114.94 113.39 1r1n s ASN 268 Ca 0.03 1.79 0.23 0.00 0.21 0.00 0.00 52.86 55.11 1r1n s ASN 268 Cb 0.07 -2.55 0.91 0.00 -0.55 0.00 0.00 41.25 39.14 1r1n s ASN 268 CO 0.74 -0.68 1.71 -0.81 -2.79 0.00 0.00 177.10 175.27 1r1n n PRO 269 N 5.92 0.09 -0.43 0.43 -0.04 -1.26 -3.29 135.00 136.42 1r1n n PRO 269 Ca 0.13 0.21 0.05 0.00 -0.04 0.00 0.00 63.50 63.84 1r1n n PRO 269 Cb 0.45 -1.64 0.22 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.80 1.01 -5.02 0.54 8.25 -1.26 -4.88 115.22 112.05 1r1n n HIS 270 Ca 0.05 -0.37 -0.32 0.00 -0.26 0.00 0.00 57.72 56.81 1r1n n HIS 270 Cb 0.28 -0.24 -0.14 0.00 1.12 0.00 0.00 29.99 31.01 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 -1.84 2.72 -0.23 1.59 1.01 -1.21 -5.01 120.40 117.44 1r1n s VAL 271 Ca 0.30 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 1r1n s VAL 271 Cb 0.21 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.57 1r1n s VAL 271 CO 0.12 0.58 -0.07 -0.69 0.00 0.00 0.00 175.10 175.04 1r1n s VAL 272 N -0.59 2.90 0.64 2.92 1.01 -1.26 -4.95 120.40 121.08 1r1n s VAL 272 Ca 0.09 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 61.03 1r1n s VAL 272 Cb -0.11 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 1r1n s VAL 272 CO 0.01 0.31 1.19 -0.55 0.00 0.00 0.00 175.10 176.06 1r1n s SER 273 N 1.36 4.87 0.00 3.32 0.15 -1.26 -4.90 113.70 117.25 1r1n s SER 273 Ca 0.02 2.32 0.29 0.00 0.70 0.00 0.00 55.95 59.29 1r1n s SER 273 Cb -0.15 -2.59 1.28 0.00 -1.71 0.00 0.00 66.02 62.85 1r1n s SER 273 CO -0.05 -1.80 1.87 0.35 1.20 0.00 0.00 173.24 174.81 1r1n n THR 274 N -2.05 0.00 -4.27 6.45 -2.24 -1.12 -4.77 114.28 106.28 1r1n n THR 274 Ca 0.13 -0.16 -0.32 0.00 -2.27 0.00 0.00 64.05 61.44 1r1n n THR 274 Cb 0.50 0.17 -0.09 0.00 -2.10 0.00 0.00 70.33 68.81 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 -2.08 2.99 -0.40 4.78 0.40 -1.26 -5.01 117.98 117.41 1r1n s PHE 275 Ca 0.39 0.01 -0.27 0.00 -0.60 0.00 0.00 56.93 56.46 1r1n s PHE 275 Cb 0.21 -1.60 -0.27 0.00 0.51 0.00 0.00 43.02 41.86 1r1n s PHE 275 CO 0.37 0.45 1.76 0.09 0.70 0.00 0.00 175.22 178.59 1r1n n ASN 276 N 1.14 1.70 -4.47 1.36 3.02 -1.26 -4.86 115.26 111.89 1r1n n ASN 276 Ca -0.13 -2.58 -0.34 0.00 -0.03 0.00 0.00 54.58 51.49 1r1n n ASN 276 Cb 0.52 -0.84 -0.12 0.00 -0.61 0.00 0.00 39.78 38.73 1r1n n ASN 276 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r1n s LEU 277 N 1.53 3.22 0.67 3.41 1.43 -1.26 -5.11 118.68 122.58 1r1n s LEU 277 Ca 0.65 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 53.46 1r1n s LEU 277 Cb 0.13 -1.79 -0.00 0.00 0.03 0.00 0.00 46.19 44.56 1r1n s LEU 277 CO 0.24 0.12 1.05 -1.83 0.23 0.00 0.00 176.35 176.17 1r1n s GLU 278 N 0.65 3.07 0.22 1.70 -1.05 -1.26 -4.84 118.70 117.20 1r1n s GLU 278 Ca -0.02 0.94 -0.32 0.00 -0.15 0.00 0.00 54.97 55.43 1r1n s GLU 278 Cb -0.14 -2.01 -0.14 0.00 -0.44 0.00 0.00 34.13 31.40 1r1n s GLU 278 CO 0.02 -0.99 1.35 -2.30 0.95 0.00 0.00 175.26 174.29 1r1n n PRO 279 N -2.98 1.81 -0.32 -4.83 -0.02 -1.26 -4.84 135.00 122.57 1r1n n PRO 279 Ca 0.07 0.65 0.27 0.00 -2.02 0.00 0.00 63.50 62.47 1r1n n PRO 279 Cb 0.54 -2.27 0.60 0.00 -0.02 0.00 0.00 33.50 32.35 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 2.96 0.47 0.00 4.25 2.10 -1.92 0.18 117.51 125.56 1r1n h ILE 280 Ca -0.45 -0.08 -0.02 0.00 1.08 0.00 0.00 64.86 65.39 1r1n h ILE 280 Cb 1.29 0.21 -0.00 0.00 -1.09 0.00 0.00 36.82 37.23 1r1n h ILE 280 CO 0.75 0.04 -0.11 0.00 -1.08 0.00 0.00 178.15 177.75 1r1n h ALA 281 N 1.55 1.14 0.00 0.18 0.00 -1.94 -2.63 119.26 117.56 1r1n h ALA 281 Ca 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1r1n h ALA 281 Cb 1.78 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1r1n h ALA 281 CO -0.20 0.14 0.00 0.87 0.00 0.00 0.00 179.25 180.06 1r1n h LYS 282 N 0.00 0.00 0.00 0.00 1.57 -0.97 -3.00 116.57 114.17 1r1n h LYS 282 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1r1n h LYS 282 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1r1n h LYS 282 CO 0.01 0.00 -0.18 -0.07 -0.57 0.00 0.00 179.45 178.64 1r1n h LEU 283 N 0.00 0.00 0.96 2.94 3.38 -1.57 -3.46 115.31 117.56 1r1n h LEU 283 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1r1n h LEU 283 Cb 0.65 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.45 1r1n h LEU 283 CO 0.00 0.18 -0.52 -0.62 0.09 0.00 0.00 178.44 177.57 1r1n n GLU 284 N -3.92 -4.01 -1.69 1.13 1.02 -1.14 -3.82 120.64 108.21 1r1n n GLU 284 Ca -0.02 0.80 -0.43 0.00 -0.02 0.00 0.00 57.16 57.49 1r1n n GLU 284 Cb 0.27 -5.40 -0.01 0.00 -0.02 0.00 0.00 31.44 26.28 1r1n n GLU 284 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1r1n n ALA 285 N -3.19 1.32 -1.70 0.62 0.00 -1.26 -1.03 120.51 115.27 1r1n n ALA 285 Ca -0.11 0.38 -0.35 0.00 0.00 0.00 0.00 53.44 53.35 1r1n n ALA 285 Cb 0.61 -2.27 0.03 0.00 0.00 0.00 0.00 19.45 17.82 1r1n n ALA 285 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1r1n s PRO 286 N -1.37 2.99 -0.10 0.00 0.04 -1.26 -4.77 135.00 130.53 1r1n s PRO 286 Ca 0.60 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 63.06 1r1n s PRO 286 Cb -0.59 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 31.99 1r1n s PRO 286 CO 0.58 -1.17 1.06 -1.14 0.04 0.00 0.00 177.00 176.37 1r1n s GLN 287 N -3.45 4.39 -0.04 4.56 2.00 -1.26 -4.86 119.66 121.01 1r1n s GLN 287 Ca 0.75 1.46 -0.09 0.00 -2.00 0.00 0.00 55.36 55.47 1r1n s GLN 287 Cb -0.27 -3.55 0.02 0.00 0.80 0.00 0.00 33.01 30.00 1r1n s GLN 287 CO 0.33 -0.37 0.22 0.08 -0.50 0.00 0.00 175.29 175.05 1r1n s VAL 288 N 2.14 0.04 0.71 1.34 1.01 -1.26 -5.00 120.40 119.39 1r1n s VAL 288 Ca 0.50 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 1r1n s VAL 288 Cb -0.20 -0.43 0.04 0.00 0.00 0.00 0.00 36.38 35.79 1r1n s VAL 288 CO 0.18 -0.19 1.06 -0.94 0.00 0.00 0.00 175.10 175.21 1r1n s SER 289 N -0.73 5.14 0.60 3.32 1.04 -1.26 -5.03 113.70 116.77 1r1n s SER 289 Ca -0.08 0.84 -0.19 0.00 0.48 0.00 0.00 55.95 57.00 1r1n s SER 289 Cb -0.05 -1.58 -0.03 0.00 0.10 0.00 0.00 66.02 64.46 1r1n s SER 289 CO 0.02 -1.47 1.21 0.00 0.98 0.00 0.00 173.24 173.98 1r1n s ALA 290 N -3.32 2.53 0.15 5.32 0.00 -1.26 -4.97 121.76 120.20 1r1n s ALA 290 Ca 0.59 1.02 -0.30 0.00 0.00 0.00 0.00 51.96 53.27 1r1n s ALA 290 Cb -0.11 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.49 1r1n s ALA 290 CO 0.48 -1.20 1.02 0.99 0.00 0.00 0.00 175.76 177.06 1r1n s THR 291 N -1.59 4.20 0.31 0.00 2.01 -1.26 -5.05 115.64 114.27 1r1n s THR 291 Ca 0.78 1.88 0.08 0.00 0.31 0.00 0.00 61.69 64.73 1r1n s THR 291 Cb -0.31 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 67.97 1r1n s THR 291 CO 0.34 0.31 0.24 0.42 -0.69 0.00 0.00 174.62 175.23 1r1n s THR 292 N -0.16 3.69 0.13 -0.82 -4.23 -1.26 -4.74 115.64 108.25 1r1n s THR 292 Ca 0.48 -1.44 -0.30 0.00 -1.18 0.00 0.00 61.69 59.25 1r1n s THR 292 Cb -0.26 -3.20 -0.07 0.00 1.34 0.00 0.00 72.50 70.31 1r1n s THR 292 CO 0.32 -0.23 1.58 0.58 -0.54 0.00 0.00 174.62 176.33 1r1n h VAL 293 N 1.37 0.12 -0.10 2.29 2.07 -1.99 0.59 116.25 120.61 1r1n h VAL 293 Ca -0.45 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.09 1r1n h VAL 293 Cb 1.25 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1r1n h VAL 293 CO 0.60 0.00 0.09 0.28 0.02 0.00 0.00 177.57 178.56 1r1n h SER 294 N -0.53 0.00 -0.24 0.57 0.02 -1.97 0.21 113.55 111.60 1r1n h SER 294 Ca 0.06 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.83 1r1n h SER 294 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1r1n h SER 294 CO -0.38 0.00 -0.54 -0.08 -1.14 0.00 0.00 176.83 174.69 1r1n h GLU 295 N 0.00 0.80 -0.09 3.45 4.81 -1.36 0.14 114.58 122.33 1r1n h GLU 295 Ca 0.05 -0.53 -0.20 0.00 -0.13 0.00 0.00 59.36 58.55 1r1n h GLU 295 Cb 0.23 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1r1n h GLU 295 CO -0.00 1.16 -0.75 0.87 -0.73 0.00 0.00 179.01 179.56 1r1n h LYS 296 N 0.55 0.49 -0.21 1.92 1.57 0.31 -1.47 116.57 119.73 1r1n h LYS 296 Ca 0.00 -0.41 0.03 0.00 -1.87 0.00 0.00 60.65 58.40 1r1n h LYS 296 Cb 1.16 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.52 1r1n h LYS 296 CO 0.12 1.04 0.03 1.49 -0.57 0.00 0.00 179.45 181.57 1r1n h GLU 297 N 0.33 0.11 -0.28 3.15 4.57 -0.52 0.11 114.58 122.06 1r1n h GLU 297 Ca -0.04 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1r1n h GLU 297 Cb 1.34 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.89 1r1n h GLU 297 CO 0.14 0.07 0.18 1.25 -1.18 0.00 0.00 179.01 179.47 1r1n h HIS 298 N 0.12 0.36 -0.56 0.92 2.76 -0.54 -1.95 115.15 116.26 1r1n h HIS 298 Ca 0.10 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.18 1r1n h HIS 298 Cb 0.10 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 28.92 1r1n h HIS 298 CO -0.15 0.24 -0.03 0.00 -1.30 0.00 0.00 177.93 176.69 1r1n h ALA 299 N 1.09 0.89 -0.31 5.26 0.00 -0.96 -2.29 119.26 122.94 1r1n h ALA 299 Ca 0.10 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1r1n h ALA 299 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1r1n h ALA 299 CO -0.02 0.65 -0.09 1.15 0.00 0.00 0.00 179.25 180.94 1r1n h THR 300 N 0.90 1.22 -0.12 0.00 2.02 -0.66 -2.00 112.91 114.28 1r1n h THR 300 Ca 0.16 -0.96 -0.14 0.00 0.77 0.00 0.00 66.41 66.24 1r1n h THR 300 Cb 0.57 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1r1n h THR 300 CO 0.03 0.32 -0.52 -0.09 0.37 0.00 0.00 175.52 175.63 1r1n h ARG 301 N 0.48 0.33 0.00 6.66 9.65 -1.12 -2.50 114.38 127.87 1r1n h ARG 301 Ca 0.09 -0.20 -0.04 0.00 -1.10 0.00 0.00 59.98 58.74 1r1n h ARG 301 Cb 0.45 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 1r1n h ARG 301 CO 0.02 0.77 -0.17 -0.07 2.80 0.00 0.00 179.97 183.33 1r1n h LEU 302 N 0.26 0.00 -0.21 3.80 3.38 -0.82 -1.20 115.31 120.52 1r1n h LEU 302 Ca 0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 1r1n h LEU 302 Cb 1.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.76 1r1n h LEU 302 CO 0.09 0.17 -0.83 -0.07 0.09 0.00 0.00 178.44 177.89 1r1n h LEU 303 N 0.00 0.75 -0.23 1.67 3.38 -0.96 -0.77 115.31 119.17 1r1n h LEU 303 Ca -0.00 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 1r1n h LEU 303 Cb 0.58 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1r1n h LEU 303 CO 0.02 1.31 0.06 -0.33 0.09 0.00 0.00 178.44 179.59 1r1n h GLU 304 N 0.40 0.36 -0.29 1.13 5.08 -1.13 -1.10 114.58 119.03 1r1n h GLU 304 Ca -0.06 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1r1n h GLU 304 Cb 1.44 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 1r1n h GLU 304 CO 0.16 0.48 0.03 1.96 -1.00 0.00 0.00 179.01 180.63 1r1n h GLN 305 N 0.19 0.42 0.00 2.33 4.20 -1.18 -1.66 115.11 119.41 1r1n h GLN 305 Ca 0.07 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1r1n h GLN 305 Cb 0.27 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1r1n h GLN 305 CO 0.00 0.43 0.00 0.00 -0.67 0.00 0.00 178.83 178.59 1r1n h ALA 306 N 1.62 1.00 -2.27 3.87 0.00 -0.89 -3.48 119.26 119.12 1r1n h ALA 306 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1r1n h ALA 306 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1r1n h ALA 306 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1r1n n GLY 307 N 1.01 0.65 0.00 0.00 0.00 -0.53 -4.70 105.19 101.63 1r1n n GLY 307 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1r1n n GLY 307 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1r1n n MET 308 N -1.13 1.68 0.00 1.61 2.81 -0.55 -5.02 117.12 116.52 1r1n n MET 308 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1r1n n MET 308 Cb 0.47 -0.87 0.00 0.00 -0.71 0.00 0.00 33.22 32.10 1r1n n MET 308 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11