#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1n s ILE 2 N 0.00 4.47 -0.15 1.12 1.01 0.87 0.93 121.20 129.46 3a1n s ILE 2 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.47 3a1n s ILE 2 Cb 0.00 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 3a1n s ILE 2 CO 0.00 0.45 -0.01 -0.22 0.00 0.00 0.00 174.94 175.16 3a1n s LEU 3 N 0.60 3.45 -0.19 2.97 2.96 -0.35 -0.60 118.68 127.52 3a1n s LEU 3 Ca 0.02 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 3a1n s LEU 3 Cb -0.13 -1.83 0.02 0.00 0.50 0.00 0.00 46.19 44.74 3a1n s LEU 3 CO 0.02 0.22 -0.18 0.54 -1.32 0.00 0.00 176.35 175.62 3a1n s VAL 4 N 0.10 2.18 0.29 1.68 0.11 -0.44 -1.33 120.40 122.99 3a1n s VAL 4 Ca 0.01 -0.93 -0.03 0.00 -2.93 0.00 0.00 61.98 58.10 3a1n s VAL 4 Cb -0.13 -1.94 -0.05 0.00 -1.53 0.00 0.00 36.38 32.73 3a1n s VAL 4 CO 0.02 0.50 0.53 0.42 -3.33 0.00 0.00 175.10 173.25 3a1n s THR 5 N 1.30 5.06 -1.46 5.04 -4.23 -0.77 -1.21 115.64 119.38 3a1n s THR 5 Ca 0.04 -0.09 -0.07 0.00 -1.18 0.00 0.00 61.69 60.39 3a1n s THR 5 Cb -0.13 -3.76 0.03 0.00 1.34 0.00 0.00 72.50 69.98 3a1n s THR 5 CO -0.12 -0.35 0.68 0.61 -0.54 0.00 0.00 174.62 174.90 3a1n n GLY 6 N -1.07 -0.51 0.19 3.99 0.00 0.20 -2.10 105.19 105.88 3a1n n GLY 6 Ca -0.03 0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.27 3a1n n GLY 6 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a1n h SER 7 N -1.50 0.00 -0.15 1.61 4.64 -1.03 -2.78 113.55 114.35 3a1n h SER 7 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3a1n h SER 7 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3a1n h SER 7 CO 0.57 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.33 3a1n n SER 8 N -2.47 1.45 -2.30 4.97 7.64 -1.26 -1.94 113.62 119.71 3a1n n SER 8 Ca -0.00 -1.69 -0.04 0.00 1.01 0.00 0.00 58.87 58.14 3a1n n SER 8 Cb 0.13 -0.10 0.03 0.00 -1.01 0.00 0.00 64.21 63.26 3a1n n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a1n n GLY 9 N 1.08 -1.28 0.12 0.23 0.00 -1.05 -4.66 105.19 99.63 3a1n n GLY 9 Ca 0.15 -1.66 -0.08 0.00 0.00 0.00 0.00 46.02 44.43 3a1n n GLY 9 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3a1n h GLN 10 N 0.00 0.16 0.09 1.61 4.15 -1.91 -1.29 115.11 117.91 3a1n h GLN 10 Ca -0.06 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 3a1n h GLN 10 Cb 0.17 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3a1n h GLN 10 CO 0.04 0.11 -0.04 0.82 -1.93 0.00 0.00 178.83 177.83 3a1n h ILE 11 N 0.17 1.13 -0.83 2.39 2.04 -1.92 -3.32 117.51 117.16 3a1n h ILE 11 Ca 0.10 -1.37 0.18 0.00 1.00 0.00 0.00 64.86 64.77 3a1n h ILE 11 Cb 0.08 1.93 -0.06 0.00 -0.74 0.00 0.00 36.82 38.04 3a1n h ILE 11 CO -0.12 0.31 0.56 1.23 0.00 0.00 0.00 178.15 180.13 3a1n h GLY 12 N -0.81 0.72 0.65 5.37 0.00 -1.70 0.14 103.07 107.44 3a1n h GLY 12 Ca -0.01 -0.16 0.09 0.00 0.00 0.00 0.00 47.33 47.24 3a1n h GLY 12 CO 0.02 0.02 0.64 -0.84 0.00 0.00 0.00 176.54 176.38 3a1n h THR 13 N 0.37 1.02 0.00 4.70 2.02 -0.55 -2.62 112.91 117.86 3a1n h THR 13 Ca 0.42 -0.37 -0.29 0.00 0.77 0.00 0.00 66.41 66.94 3a1n h THR 13 Cb 1.07 -0.16 -0.05 0.00 -1.74 0.00 0.00 68.15 67.27 3a1n h THR 13 CO -0.14 0.20 -2.28 -0.62 0.37 0.00 0.00 175.52 173.05 3a1n n GLU 14 N -4.54 0.73 -0.26 6.66 1.02 -0.65 -4.48 120.64 119.12 3a1n n GLU 14 Ca 0.17 -0.05 -0.06 0.00 -0.02 0.00 0.00 57.16 57.20 3a1n n GLU 14 Cb 0.25 -1.51 0.05 0.00 -0.02 0.00 0.00 31.44 30.21 3a1n n GLU 14 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3a1n h LEU 15 N 0.00 0.92 0.12 -4.62 5.85 -0.67 -2.38 115.31 114.52 3a1n h LEU 15 Ca -0.43 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.17 3a1n h LEU 15 Cb 1.97 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.74 3a1n h LEU 15 CO 0.02 0.78 -0.30 0.58 -0.34 0.00 0.00 178.44 179.18 3a1n h VAL 16 N 0.99 0.00 0.00 1.05 2.07 -1.69 0.14 116.25 118.81 3a1n h VAL 16 Ca 0.25 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.74 3a1n h VAL 16 Cb 0.10 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.86 3a1n h VAL 16 CO -0.03 0.00 -0.12 1.55 0.02 0.00 0.00 177.57 178.99 3a1n h PRO 17 N -0.47 0.00 -0.14 1.57 0.13 -1.80 0.08 132.00 131.36 3a1n h PRO 17 Ca -0.01 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3a1n h PRO 17 Cb 0.45 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 3a1n h PRO 17 CO -0.14 0.12 0.09 -0.92 -0.23 0.00 0.00 178.00 176.92 3a1n h TYR 18 N 0.00 0.19 -0.43 1.56 3.20 -0.86 0.12 116.97 120.74 3a1n h TYR 18 Ca -0.00 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 3a1n h TYR 18 Cb 0.26 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3a1n h TYR 18 CO 0.00 0.15 0.00 -0.07 -1.64 0.00 0.00 178.16 176.60 3a1n h LEU 19 N 0.17 0.75 -0.58 2.82 4.07 -0.00 -2.45 115.31 120.08 3a1n h LEU 19 Ca 0.05 -0.30 -0.00 0.00 0.08 0.00 0.00 57.88 57.71 3a1n h LEU 19 Cb 0.01 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.52 3a1n h LEU 19 CO -0.01 0.87 0.36 0.00 -1.08 0.00 0.00 178.44 178.58 3a1n h ALA 20 N 0.90 0.74 -0.93 1.53 0.00 -0.75 0.52 119.26 121.26 3a1n h ALA 20 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3a1n h ALA 20 Cb 0.48 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3a1n h ALA 20 CO 0.02 0.20 0.59 1.49 0.00 0.00 0.00 179.25 181.55 3a1n h GLU 21 N 0.78 1.24 0.09 0.00 4.57 -0.67 0.78 114.58 121.37 3a1n h GLU 21 Ca 0.21 -0.09 -0.30 0.00 -1.18 0.00 0.00 59.36 57.99 3a1n h GLU 21 Cb -0.04 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 28.26 3a1n h GLU 21 CO -0.04 0.84 -1.57 -0.22 -1.18 0.00 0.00 179.01 176.85 3a1n h LYS 22 N 1.27 0.19 -0.00 1.92 3.64 -0.98 -3.41 116.57 119.20 3a1n h LYS 22 Ca 0.34 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3a1n h LYS 22 Cb -0.10 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3a1n h LYS 22 CO -0.07 1.01 -0.34 0.66 -2.27 0.00 0.00 179.45 178.44 3a1n n TYR 23 N -3.38 0.00 0.00 1.91 0.53 0.18 -5.09 117.16 111.30 3a1n n TYR 23 Ca -0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.71 3a1n n TYR 23 Cb 1.04 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 39.35 3a1n n TYR 23 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3a1n n GLY 24 N 1.10 3.44 0.25 2.72 0.00 0.26 -4.72 105.19 108.24 3a1n n GLY 24 Ca 0.02 -1.39 0.01 0.00 0.00 0.00 0.00 46.02 44.66 3a1n n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1n h LYS 25 N 0.00 0.41 -0.71 1.61 1.57 -1.89 -2.11 116.57 115.45 3a1n h LYS 25 Ca 0.00 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3a1n h LYS 25 Cb 0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3a1n h LYS 25 CO 0.00 0.27 0.04 1.63 -0.57 0.00 0.00 179.45 180.82 3a1n n LYS 26 N -4.99 3.80 -0.07 3.15 4.01 -1.26 -3.69 118.16 119.11 3a1n n LYS 26 Ca 0.10 -2.38 0.10 0.00 -0.51 0.00 0.00 58.31 55.63 3a1n n LYS 26 Cb 0.30 -2.07 0.13 0.00 -0.51 0.00 0.00 35.03 32.88 3a1n n LYS 26 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3a1n n ASN 27 N 0.38 2.92 -4.23 4.39 3.02 -0.79 -4.93 115.26 116.02 3a1n n ASN 27 Ca 0.23 -1.88 -0.25 0.00 -0.03 0.00 0.00 54.58 52.65 3a1n n ASN 27 Cb 1.00 -0.09 -0.14 0.00 -0.61 0.00 0.00 39.78 39.94 3a1n n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3a1n s VAL 28 N -1.56 1.56 -0.05 2.41 1.01 -1.24 -0.09 120.40 122.44 3a1n s VAL 28 Ca 0.28 -1.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 3a1n s VAL 28 Cb 0.18 -1.36 0.03 0.00 0.00 0.00 0.00 36.38 35.23 3a1n s VAL 28 CO 0.26 0.19 0.02 -0.51 0.00 0.00 0.00 175.10 175.07 3a1n s ILE 29 N -0.77 0.16 0.22 2.22 2.07 0.23 -4.34 121.20 120.99 3a1n s ILE 29 Ca 0.07 0.23 -0.14 0.00 -1.41 0.00 0.00 60.65 59.39 3a1n s ILE 29 Cb -0.08 -0.34 -0.08 0.00 0.13 0.00 0.00 42.46 42.09 3a1n s ILE 29 CO 0.01 0.21 0.63 0.00 -1.91 0.00 0.00 174.94 173.88 3a1n s ALA 30 N 1.86 3.48 -0.10 1.50 0.00 0.34 -1.33 121.76 127.51 3a1n s ALA 30 Ca 0.02 -0.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.73 3a1n s ALA 30 Cb -0.12 -2.62 0.04 0.00 0.00 0.00 0.00 23.12 20.42 3a1n s ALA 30 CO -0.04 0.41 0.46 -1.54 0.00 0.00 0.00 175.76 175.05 3a1n s SER 31 N -2.00 -0.42 0.11 0.00 1.04 -0.35 -1.12 113.70 110.95 3a1n s SER 31 Ca 0.45 0.62 -0.25 0.00 0.48 0.00 0.00 55.95 57.26 3a1n s SER 31 Cb -0.13 0.67 0.08 0.00 0.10 0.00 0.00 66.02 66.75 3a1n s SER 31 CO 0.20 -0.34 1.13 -0.62 0.98 0.00 0.00 173.24 174.59 3a1n s ASP 32 N -0.53 0.00 0.00 7.02 -1.08 -1.15 -0.63 116.67 120.30 3a1n s ASP 32 Ca -0.06 -0.49 0.23 0.00 -0.52 0.00 0.00 52.55 51.71 3a1n s ASP 32 Cb -0.03 0.37 0.10 0.00 -1.46 0.00 0.00 42.92 41.89 3a1n s ASP 32 CO 0.04 -0.72 1.14 2.30 0.52 0.00 0.00 175.17 178.44 3a1n n ILE 33 N -0.76 0.00 -4.17 4.11 -5.35 -1.26 -1.31 119.36 110.62 3a1n n ILE 33 Ca -0.01 -0.13 -0.25 0.00 -0.27 0.00 0.00 62.75 62.09 3a1n n ILE 33 Cb 0.59 0.94 -0.17 0.00 -1.74 0.00 0.00 39.64 39.27 3a1n n ILE 33 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3a1n s VAL 34 N -2.69 0.93 0.11 7.28 1.01 -1.26 -4.98 120.40 120.80 3a1n s VAL 34 Ca 0.15 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.74 3a1n s VAL 34 Cb 0.18 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 35.57 3a1n s VAL 34 CO 0.67 0.33 0.44 -1.58 0.00 0.00 0.00 175.10 174.96 3a1n s GLN 35 N 1.24 3.79 0.17 2.72 0.74 -1.26 -4.61 119.66 122.45 3a1n s GLN 35 Ca -0.04 0.21 -0.04 0.00 0.05 0.00 0.00 55.36 55.54 3a1n s GLN 35 Cb -0.14 -2.93 -0.03 0.00 1.10 0.00 0.00 33.01 31.01 3a1n s GLN 35 CO -0.03 0.51 0.18 1.03 -0.55 0.00 0.00 175.29 176.43 3a1n s ARG 36 N -2.09 1.12 0.13 1.67 0.52 -1.26 -5.11 118.95 113.93 3a1n s ARG 36 Ca 0.36 -1.40 -0.31 0.00 -0.52 0.00 0.00 55.73 53.86 3a1n s ARG 36 Cb -0.14 0.31 -0.11 0.00 0.52 0.00 0.00 34.95 35.53 3a1n s ARG 36 CO 0.19 -0.37 1.85 -3.47 0.02 0.00 0.00 175.30 173.52 3a1n n ASP 37 N -0.20 4.10 -0.85 0.23 -0.08 -1.26 -4.86 116.55 113.63 3a1n n ASP 37 Ca -0.04 0.98 0.08 0.00 -1.51 0.00 0.00 54.79 54.31 3a1n n ASP 37 Cb 0.64 -1.55 0.25 0.00 2.34 0.00 0.00 41.12 42.79 3a1n n ASP 37 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3a1n n THR 38 N 4.74 2.28 -2.48 5.18 -2.24 -1.26 -4.96 114.28 115.54 3a1n n THR 38 Ca 0.18 -1.97 -0.18 0.00 -2.27 0.00 0.00 64.05 59.81 3a1n n THR 38 Cb 0.38 -0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.34 3a1n n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a1n n GLY 39 N -0.63 -0.50 0.00 3.38 0.00 -1.26 -1.48 105.19 104.69 3a1n n GLY 39 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3a1n n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a1n n GLY 40 N -0.97 2.83 3.66 -0.02 0.00 -1.26 -5.04 105.19 104.39 3a1n n GLY 40 Ca -0.20 -0.17 -0.45 0.00 0.00 0.00 0.00 46.02 45.21 3a1n n GLY 40 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3a1n n ILE 41 N 0.00 1.15 -1.63 -0.61 -0.00 -0.55 -4.83 119.36 112.89 3a1n n ILE 41 Ca 0.00 -0.29 -0.49 0.00 -0.00 0.00 0.00 62.75 61.98 3a1n n ILE 41 Cb 0.00 -1.38 -0.05 0.00 -0.00 0.00 0.00 39.64 38.22 3a1n n ILE 41 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 3a1n n LYS 42 N 1.71 1.68 -4.73 0.38 3.00 -1.26 -4.72 118.16 114.21 3a1n n LYS 42 Ca 0.11 0.60 -0.25 0.00 -0.00 0.00 0.00 58.31 58.78 3a1n n LYS 42 Cb 0.31 -2.30 -0.15 0.00 0.00 0.00 0.00 35.03 32.90 3a1n n LYS 42 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 3a1n s PHE 43 N 0.60 1.61 0.02 5.64 5.36 -1.26 -0.51 117.98 129.44 3a1n s PHE 43 Ca 0.80 -0.33 0.01 0.00 -0.96 0.00 0.00 56.93 56.45 3a1n s PHE 43 Cb -0.80 -1.00 -0.01 0.00 -0.34 0.00 0.00 43.02 40.86 3a1n s PHE 43 CO 0.43 0.01 -0.03 0.96 -1.46 0.00 0.00 175.22 175.13 3a1n s ILE 44 N -0.58 0.19 -0.13 3.12 -4.36 -0.28 -4.97 121.20 114.20 3a1n s ILE 44 Ca 0.06 -0.62 -0.26 0.00 -0.26 0.00 0.00 60.65 59.57 3a1n s ILE 44 Cb -0.07 -0.27 -0.02 0.00 1.25 0.00 0.00 42.46 43.35 3a1n s ILE 44 CO 0.00 -0.28 0.85 -0.89 0.24 0.00 0.00 174.94 174.87 3a1n s THR 45 N -0.91 4.89 -0.09 8.37 2.01 -1.26 -2.96 115.64 125.69 3a1n s THR 45 Ca -0.09 1.70 -0.03 0.00 0.31 0.00 0.00 61.69 63.58 3a1n s THR 45 Cb -0.06 -4.17 0.05 0.00 0.01 0.00 0.00 72.50 68.33 3a1n s THR 45 CO -0.00 0.07 0.15 -0.22 -0.69 0.00 0.00 174.62 173.92 3a1n s LEU 46 N 1.83 -0.05 -0.38 4.42 2.96 -0.43 -4.89 118.68 122.15 3a1n s LEU 46 Ca 0.41 0.27 -0.20 0.00 -0.22 0.00 0.00 54.13 54.38 3a1n s LEU 46 Cb -0.17 0.23 0.01 0.00 0.50 0.00 0.00 46.19 46.75 3a1n s LEU 46 CO 0.15 -0.25 0.61 -0.62 -1.32 0.00 0.00 176.35 174.93 3a1n s ASP 47 N 2.28 6.38 0.56 3.68 3.68 -1.26 -4.10 116.67 127.89 3a1n s ASP 47 Ca 0.03 -0.01 0.37 0.00 2.13 0.00 0.00 52.55 55.07 3a1n s ASP 47 Cb -0.12 -2.31 1.79 0.00 -1.45 0.00 0.00 42.92 40.82 3a1n s ASP 47 CO -0.06 -0.62 2.11 0.58 0.13 0.00 0.00 175.17 177.31 3a1n h VAL 48 N 5.71 0.00 -0.00 1.11 2.07 -1.95 -1.98 116.25 121.22 3a1n h VAL 48 Ca -0.26 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3a1n h VAL 48 Cb 1.11 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 3a1n h VAL 48 CO 0.84 0.00 -0.03 -1.54 0.02 0.00 0.00 177.57 176.85 3a1n n SER 49 N -2.96 0.44 -4.17 0.57 3.41 -1.26 -4.32 113.62 105.32 3a1n n SER 49 Ca -0.01 -0.88 -0.38 0.00 -0.26 0.00 0.00 58.87 57.33 3a1n n SER 49 Cb 0.18 -0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 63.98 3a1n n SER 49 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3a1n s ASN 50 N -2.20 5.47 0.30 4.04 3.84 -0.74 -4.89 114.94 120.75 3a1n s ASN 50 Ca 0.38 -1.93 0.03 0.00 0.21 0.00 0.00 52.86 51.56 3a1n s ASN 50 Cb 0.21 -1.92 0.63 0.00 -0.55 0.00 0.00 41.25 39.62 3a1n s ASN 50 CO 0.40 -0.60 1.85 -0.09 -2.79 0.00 0.00 177.10 175.87 3a1n h ARG 51 N 8.25 0.89 -0.78 0.43 9.65 -1.83 -2.22 114.38 128.76 3a1n h ARG 51 Ca -0.17 -0.05 0.03 0.00 -1.10 0.00 0.00 59.98 58.68 3a1n h ARG 51 Cb 1.06 -0.20 -0.05 0.00 -1.39 0.00 0.00 29.97 29.39 3a1n h ARG 51 CO 0.77 0.59 0.50 -0.44 2.80 0.00 0.00 179.97 184.18 3a1n h ASP 52 N 0.91 0.82 -0.24 -3.80 3.32 -1.93 -1.87 116.42 113.63 3a1n h ASP 52 Ca 0.48 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.45 3a1n h ASP 52 Cb 0.55 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3a1n h ASP 52 CO -0.25 0.57 -0.12 -0.33 -1.72 0.00 0.00 179.24 177.39 3a1n h GLU 53 N 0.97 0.65 -0.11 3.56 5.08 -1.71 -2.78 114.58 120.24 3a1n h GLU 53 Ca 0.31 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3a1n h GLU 53 Cb 0.00 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 3a1n h GLU 53 CO -0.11 0.75 0.01 0.82 -1.00 0.00 0.00 179.01 179.48 3a1n h ILE 54 N 0.59 1.24 -0.11 3.13 2.04 -1.20 -2.51 117.51 120.68 3a1n h ILE 54 Ca 0.10 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.23 3a1n h ILE 54 Cb 0.55 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 3a1n h ILE 54 CO 0.03 0.22 -0.04 0.44 0.00 0.00 0.00 178.15 178.80 3a1n h ASP 55 N -0.08 -0.14 -0.42 1.72 3.32 -1.30 -1.00 116.42 118.53 3a1n h ASP 55 Ca 0.03 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3a1n h ASP 55 Cb 0.33 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3a1n h ASP 55 CO 0.00 -0.05 0.28 0.03 -1.72 0.00 0.00 179.24 177.78 3a1n h ARG 56 N -0.02 0.54 -0.15 3.56 3.08 -1.52 0.14 114.38 120.01 3a1n h ARG 56 Ca 0.06 -0.03 -0.18 0.00 0.07 0.00 0.00 59.98 59.90 3a1n h ARG 56 Cb 0.11 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.04 3a1n h ARG 56 CO -0.13 0.36 -0.59 0.00 -1.07 0.00 0.00 179.97 178.54 3a1n h ALA 57 N 1.74 0.28 -0.47 0.04 0.00 -1.04 -1.51 119.26 118.30 3a1n h ALA 57 Ca 0.15 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 3a1n h ALA 57 Cb -0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3a1n h ALA 57 CO -0.03 0.52 0.14 0.28 0.00 0.00 0.00 179.25 180.16 3a1n h VAL 58 N 0.35 1.19 0.28 0.00 2.07 -0.53 -2.51 116.25 117.10 3a1n h VAL 58 Ca -0.03 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 3a1n h VAL 58 Cb 1.22 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3a1n h VAL 58 CO 0.12 0.25 -0.13 -0.33 0.02 0.00 0.00 177.57 177.50 3a1n h GLU 59 N 0.68 -0.36 -0.67 1.57 4.39 -0.57 -2.42 114.58 117.19 3a1n h GLU 59 Ca 0.16 0.02 0.11 0.00 0.34 0.00 0.00 59.36 60.00 3a1n h GLU 59 Cb 0.21 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 3a1n h GLU 59 CO -0.01 -0.24 0.45 0.87 -1.16 0.00 0.00 179.01 178.92 3a1n h LYS 60 N -0.45 0.44 -0.53 2.33 1.57 -1.28 -2.59 116.57 116.07 3a1n h LYS 60 Ca -0.04 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3a1n h LYS 60 Cb 0.29 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3a1n h LYS 60 CO 0.06 0.29 0.00 0.66 -0.57 0.00 0.00 179.45 179.90 3a1n n TYR 61 N -4.48 0.71 -3.96 -1.35 4.01 -0.95 -4.98 117.16 106.16 3a1n n TYR 61 Ca 0.12 -0.47 -0.39 0.00 -0.16 0.00 0.00 57.90 56.99 3a1n n TYR 61 Cb 0.41 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.45 3a1n n TYR 61 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3a1n n SER 62 N 1.12 -3.91 -4.69 7.72 2.88 -0.95 -4.67 113.62 111.11 3a1n n SER 62 Ca 0.18 -1.19 -0.42 0.00 -1.33 0.00 0.00 58.87 56.11 3a1n n SER 62 Cb 0.53 -2.31 -0.03 0.00 -0.75 0.00 0.00 64.21 61.64 3a1n n SER 62 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3a1n s ILE 63 N -3.60 2.72 -0.20 2.46 -1.09 -0.98 -3.59 121.20 116.91 3a1n s ILE 63 Ca 0.42 0.27 0.16 0.00 -2.23 0.00 0.00 60.65 59.27 3a1n s ILE 63 Cb -0.20 -3.17 -0.24 0.00 -1.58 0.00 0.00 42.46 37.27 3a1n s ILE 63 CO 0.93 0.00 0.04 0.47 -1.23 0.00 0.00 174.94 175.15 3a1n n ASP 64 N 5.36 0.26 -3.94 3.58 9.92 0.26 -4.51 116.55 127.49 3a1n n ASP 64 Ca 0.16 -0.02 -0.09 0.00 -0.53 0.00 0.00 54.79 54.32 3a1n n ASP 64 Cb 0.39 0.84 -0.09 0.00 -0.64 0.00 0.00 41.12 41.62 3a1n n ASP 64 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3a1n s ALA 65 N -2.49 0.02 -0.03 2.24 0.00 -0.71 -0.49 121.76 120.30 3a1n s ALA 65 Ca -0.13 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 3a1n s ALA 65 Cb 0.06 0.35 0.03 0.00 0.00 0.00 0.00 23.12 23.56 3a1n s ALA 65 CO 0.80 -0.41 0.06 0.42 0.00 0.00 0.00 175.76 176.63 3a1n s ILE 66 N -3.44 -0.09 -0.49 0.00 1.01 -0.39 -1.21 121.20 116.59 3a1n s ILE 66 Ca 0.02 0.31 -0.13 0.00 0.00 0.00 0.00 60.65 60.84 3a1n s ILE 66 Cb 0.04 -0.13 0.11 0.00 0.01 0.00 0.00 42.46 42.48 3a1n s ILE 66 CO -0.08 0.13 0.40 -0.36 0.00 0.00 0.00 174.94 175.03 3a1n s PHE 67 N 1.57 3.31 -0.75 3.97 0.40 -0.44 0.37 117.98 126.41 3a1n s PHE 67 Ca -0.03 -1.40 -0.22 0.00 -0.60 0.00 0.00 56.93 54.68 3a1n s PHE 67 Cb -0.12 -3.47 0.08 0.00 0.51 0.00 0.00 43.02 40.02 3a1n s PHE 67 CO -0.03 -0.94 1.05 -1.58 0.70 0.00 0.00 175.22 174.41 3a1n s HIS 68 N 1.52 2.75 -0.60 0.36 2.46 0.35 -1.84 115.29 120.29 3a1n s HIS 68 Ca 0.04 -0.75 0.18 0.00 0.47 0.00 0.00 55.06 55.00 3a1n s HIS 68 Cb -0.27 -4.33 -0.22 0.00 -0.13 0.00 0.00 32.58 27.62 3a1n s HIS 68 CO 0.03 -1.65 0.66 1.28 -2.47 0.00 0.00 174.74 172.58 3a1n n LEU 69 N 7.59 0.60 -4.77 8.88 4.32 -0.89 -4.04 117.00 128.68 3a1n n LEU 69 Ca 0.05 -0.35 -0.41 0.00 -0.02 0.00 0.00 56.01 55.29 3a1n n LEU 69 Cb 0.47 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.26 3a1n n LEU 69 CO 0.61 0.15 1.10 0.00 -1.22 0.00 0.00 177.39 178.03 3a1n s ALA 70 N -2.88 3.57 0.00 -1.18 0.00 -1.14 -4.67 121.76 115.46 3a1n s ALA 70 Ca 0.03 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.46 3a1n s ALA 70 Cb 0.13 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3a1n s ALA 70 CO 0.75 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 176.01 3a1n n GLY 71 N 0.85 2.16 3.70 0.00 0.00 -1.26 -4.88 105.19 105.76 3a1n n GLY 71 Ca 0.02 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 3a1n n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1n s ILE 72 N -2.00 4.73 0.93 -0.61 -1.09 -1.26 -5.03 121.20 116.87 3a1n s ILE 72 Ca 0.00 -0.07 -0.13 0.00 -2.23 0.00 0.00 60.65 58.22 3a1n s ILE 72 Cb 0.00 -3.06 0.20 0.00 -1.58 0.00 0.00 42.46 38.02 3a1n s ILE 72 CO 0.00 0.55 1.27 -0.76 -1.23 0.00 0.00 174.94 174.77 3a1n s LEU 73 N -0.40 2.80 0.11 2.97 1.43 -1.26 -4.79 118.68 119.54 3a1n s LEU 73 Ca 0.09 0.02 -0.23 0.00 -1.03 0.00 0.00 54.13 52.98 3a1n s LEU 73 Cb -0.12 -2.05 -0.08 0.00 0.03 0.00 0.00 46.19 43.98 3a1n s LEU 73 CO 0.02 -2.67 1.69 0.77 0.23 0.00 0.00 176.35 176.39 3a1n h SER 74 N -1.48 -0.31 0.58 2.29 4.64 -1.98 0.58 113.55 117.88 3a1n h SER 74 Ca -0.42 0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 3a1n h SER 74 Cb 1.23 0.14 0.01 0.00 -0.31 0.00 0.00 62.40 63.46 3a1n h SER 74 CO 0.34 -0.15 -0.28 0.00 -0.87 0.00 0.00 176.83 175.87 3a1n h ALA 75 N 0.83 -0.78 -0.34 5.18 0.00 -1.95 -2.09 119.26 120.12 3a1n h ALA 75 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3a1n h ALA 75 Cb 0.23 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3a1n h ALA 75 CO -0.13 -0.92 0.21 -0.22 0.00 0.00 0.00 179.25 178.19 3a1n h LYS 76 N -0.81 0.45 -0.23 0.00 1.63 -1.89 -1.89 116.57 113.83 3a1n h LYS 76 Ca -0.08 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.64 3a1n h LYS 76 Cb 0.61 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 3a1n h LYS 76 CO 0.13 0.31 -0.08 0.78 -3.45 0.00 0.00 179.45 177.14 3a1n h GLY 77 N 0.48 0.40 2.00 5.01 0.00 -0.53 -0.49 103.07 109.94 3a1n h GLY 77 Ca 0.12 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.13 3a1n h GLY 77 CO -0.02 0.23 -0.36 0.83 0.00 0.00 0.00 176.54 177.21 3a1n h GLU 78 N 0.35 0.00 0.00 4.80 4.39 -0.66 -0.12 114.58 123.34 3a1n h GLU 78 Ca 0.07 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.66 3a1n h GLU 78 Cb 0.37 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3a1n h GLU 78 CO 0.02 0.36 -0.64 0.87 -1.16 0.00 0.00 179.01 178.45 3a1n h LYS 79 N 0.00 0.00 -1.40 2.33 1.57 -1.16 -3.40 116.57 114.51 3a1n h LYS 79 Ca -0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 3a1n h LYS 79 Cb 1.14 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.19 3a1n h LYS 79 CO 0.05 0.50 -0.75 -3.47 -0.57 0.00 0.00 179.45 175.20 3a1n n ASP 80 N -3.19 -1.80 0.12 0.86 -0.08 -0.25 -5.01 116.55 107.20 3a1n n ASP 80 Ca 0.00 -2.79 0.02 0.00 -1.51 0.00 0.00 54.79 50.52 3a1n n ASP 80 Cb 0.76 0.64 0.38 0.00 2.34 0.00 0.00 41.12 45.24 3a1n n ASP 80 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3a1n h PRO 81 N 4.81 0.24 -0.93 -0.67 0.13 -1.25 -2.33 132.00 132.01 3a1n h PRO 81 Ca 0.08 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 65.17 3a1n h PRO 81 Cb 0.99 -0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.04 3a1n h PRO 81 CO 0.26 0.40 0.61 0.00 -0.23 0.00 0.00 178.00 179.04 3a1n h ALA 82 N 1.62 1.36 -0.14 -0.56 0.00 -1.95 -0.06 119.26 119.53 3a1n h ALA 82 Ca 0.04 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3a1n h ALA 82 Cb 0.41 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3a1n h ALA 82 CO 0.02 0.57 -0.16 1.25 0.00 0.00 0.00 179.25 180.94 3a1n h LEU 83 N 1.23 0.38 -0.47 0.00 5.85 -1.84 -1.85 115.31 118.60 3a1n h LEU 83 Ca 0.35 -0.49 0.06 0.00 0.84 0.00 0.00 57.88 58.64 3a1n h LEU 83 Cb -0.09 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 3a1n h LEU 83 CO -0.09 0.80 0.15 0.00 -0.34 0.00 0.00 178.44 178.96 3a1n h ALA 84 N 0.59 0.56 -0.11 1.25 0.00 -0.96 -1.60 119.26 118.99 3a1n h ALA 84 Ca 0.02 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3a1n h ALA 84 Cb 0.70 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3a1n h ALA 84 CO 0.04 -0.24 0.05 -0.92 0.00 0.00 0.00 179.25 178.18 3a1n h TYR 85 N 0.32 0.16 0.20 0.00 5.03 -1.01 0.72 116.97 122.40 3a1n h TYR 85 Ca 0.23 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.54 3a1n h TYR 85 Cb 0.24 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.45 3a1n h TYR 85 CO -0.17 0.21 -0.25 -0.22 -1.32 0.00 0.00 178.16 176.41 3a1n h LYS 86 N 0.06 -0.49 -0.08 1.82 3.64 -0.95 0.19 116.57 120.76 3a1n h LYS 86 Ca 0.04 0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 59.21 3a1n h LYS 86 Cb 0.11 0.11 0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3a1n h LYS 86 CO -0.00 -0.33 -0.89 -0.39 -2.27 0.00 0.00 179.45 175.57 3a1n h VAL 87 N -0.51 1.28 0.22 2.00 -1.51 -1.32 -2.34 116.25 114.07 3a1n h VAL 87 Ca 0.01 -2.09 -0.01 0.00 -1.23 0.00 0.00 66.70 63.38 3a1n h VAL 87 Cb 0.49 2.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.84 3a1n h VAL 87 CO -0.09 0.65 -0.10 0.78 -1.23 0.00 0.00 177.57 177.58 3a1n h ASN 88 N 0.45 -0.25 0.36 4.19 4.21 -0.86 -1.76 115.58 121.92 3a1n h ASN 88 Ca -0.09 -0.20 -0.02 0.00 1.21 0.00 0.00 56.30 57.21 3a1n h ASN 88 Cb 1.53 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 38.80 3a1n h ASN 88 CO 0.18 0.27 -0.18 -0.03 -1.29 0.00 0.00 177.43 176.39 3a1n h MET 89 N -0.99 -0.47 -0.86 0.81 4.05 -0.74 -1.58 114.93 115.14 3a1n h MET 89 Ca -0.03 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3a1n h MET 89 Cb 0.43 0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 31.29 3a1n h MET 89 CO 0.05 -0.31 0.54 -0.91 0.23 0.00 0.00 176.91 176.51 3a1n h ASN 90 N -0.71 1.01 0.10 1.39 2.35 -1.25 -2.21 115.58 116.27 3a1n h ASN 90 Ca -0.05 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.66 3a1n h ASN 90 Cb 0.38 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3a1n h ASN 90 CO 0.08 0.76 -0.15 1.23 -1.65 0.00 0.00 177.43 177.71 3a1n h GLY 91 N 1.18 -0.27 2.00 2.83 0.00 -0.94 -0.15 103.07 107.72 3a1n h GLY 91 Ca 0.31 0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.74 3a1n h GLY 91 CO -0.06 -0.14 -0.32 -0.91 0.00 0.00 0.00 176.54 175.10 3a1n h THR 92 N -0.30 0.79 -0.08 4.70 1.35 -1.20 -2.44 112.91 115.73 3a1n h THR 92 Ca 0.02 -1.35 -0.02 0.00 -0.55 0.00 0.00 66.41 64.51 3a1n h THR 92 Cb 0.30 1.84 -0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3a1n h THR 92 CO -0.07 0.31 -0.02 0.22 -0.25 0.00 0.00 175.52 175.71 3a1n h TYR 93 N 0.00 0.18 -0.72 4.73 3.20 -1.08 -1.85 116.97 121.43 3a1n h TYR 93 Ca -0.00 -0.04 0.09 0.00 3.14 0.00 0.00 58.73 61.92 3a1n h TYR 93 Cb 0.82 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.97 3a1n h TYR 93 CO 0.00 0.49 0.37 -0.91 -1.64 0.00 0.00 178.16 176.47 3a1n h ASN 94 N -0.19 0.49 0.08 -2.11 -0.26 -0.80 -1.45 115.58 111.34 3a1n h ASN 94 Ca 0.02 0.06 -0.11 0.00 -0.56 0.00 0.00 56.30 55.71 3a1n h ASN 94 Cb 0.44 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.66 3a1n h ASN 94 CO 0.01 0.28 -0.37 -0.29 -1.06 0.00 0.00 177.43 176.00 3a1n h ILE 95 N 0.63 1.29 -0.22 2.81 2.10 -1.37 -0.69 117.51 122.06 3a1n h ILE 95 Ca 0.35 -1.47 -0.04 0.00 1.08 0.00 0.00 64.86 64.79 3a1n h ILE 95 Cb 0.36 1.56 -0.01 0.00 -1.09 0.00 0.00 36.82 37.64 3a1n h ILE 95 CO -0.26 0.45 -0.00 -0.07 -1.08 0.00 0.00 178.15 177.19 3a1n h LEU 96 N 0.34 0.38 -0.65 2.19 3.38 -0.50 -0.12 115.31 120.32 3a1n h LEU 96 Ca 0.04 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 3a1n h LEU 96 Cb 0.80 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3a1n h LEU 96 CO 0.06 0.60 0.10 -0.33 0.09 0.00 0.00 178.44 178.96 3a1n h GLU 97 N 0.15 1.08 -0.41 1.13 4.39 -1.21 -0.21 114.58 119.50 3a1n h GLU 97 Ca 0.06 -0.29 -0.09 0.00 0.34 0.00 0.00 59.36 59.38 3a1n h GLU 97 Cb 0.41 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 3a1n h GLU 97 CO 0.01 1.00 -0.12 0.00 -1.16 0.00 0.00 179.01 178.74 3a1n h ALA 98 N 1.04 1.02 -0.21 3.43 0.00 -1.06 0.06 119.26 123.54 3a1n h ALA 98 Ca 0.20 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 3a1n h ALA 98 Cb 0.45 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3a1n h ALA 98 CO 0.01 0.59 -0.31 0.00 0.00 0.00 0.00 179.25 179.55 3a1n h ALA 99 N 1.20 0.33 -0.64 0.00 0.00 -0.67 -2.49 119.26 116.99 3a1n h ALA 99 Ca 0.11 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3a1n h ALA 99 Cb 0.59 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3a1n h ALA 99 CO 0.04 0.35 0.16 -0.22 0.00 0.00 0.00 179.25 179.58 3a1n h LYS 100 N 0.27 1.02 0.16 0.00 3.11 -0.92 -3.13 116.57 117.07 3a1n h LYS 100 Ca 0.02 -0.24 -0.00 0.00 -2.81 0.00 0.00 60.65 57.62 3a1n h LYS 100 Cb 0.89 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.98 3a1n h LYS 100 CO 0.07 0.92 -0.11 0.37 -2.81 0.00 0.00 179.45 177.89 3a1n h GLN 101 N 0.94 -0.26 0.00 1.90 -0.00 -0.98 -3.45 115.11 113.26 3a1n h GLN 101 Ca 0.20 0.02 -0.16 0.00 -0.00 0.00 0.00 58.65 58.71 3a1n h GLN 101 Cb 0.35 0.06 0.03 0.00 0.00 0.00 0.00 27.48 27.92 3a1n h GLN 101 CO 0.00 -0.17 0.05 0.72 0.00 0.00 0.00 178.83 179.43 3a1n n HIS 102 N -5.23 -3.32 -2.65 3.99 8.25 -0.94 -5.00 115.22 110.31 3a1n n HIS 102 Ca -0.08 -0.59 -0.43 0.00 -0.26 0.00 0.00 57.72 56.36 3a1n n HIS 102 Cb 0.15 -0.27 0.01 0.00 1.12 0.00 0.00 29.99 31.00 3a1n n HIS 102 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 3a1n n ARG 103 N -1.69 3.84 -3.54 -0.41 1.85 -1.26 -4.88 116.66 110.58 3a1n n ARG 103 Ca 0.06 -3.92 -0.41 0.00 -1.00 0.00 0.00 57.85 52.58 3a1n n ARG 103 Cb 0.21 -2.80 -0.11 0.00 -1.05 0.00 0.00 32.46 28.71 3a1n n ARG 103 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3a1n s VAL 104 N -0.51 5.06 0.08 8.89 1.01 -1.24 -4.66 120.40 129.03 3a1n s VAL 104 Ca 0.37 -0.49 -0.27 0.00 0.00 0.00 0.00 61.98 61.59 3a1n s VAL 104 Cb 0.06 -3.70 -0.16 0.00 0.00 0.00 0.00 36.38 32.57 3a1n s VAL 104 CO 0.03 -0.13 1.69 -0.33 0.00 0.00 0.00 175.10 176.36 3a1n h GLU 105 N 8.51 -0.32 -4.44 2.72 5.08 -1.10 -3.43 114.58 121.59 3a1n h GLU 105 Ca -0.29 0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 57.90 3a1n h GLU 105 Cb 1.13 0.07 -0.16 0.00 0.50 0.00 0.00 28.75 30.30 3a1n h GLU 105 CO 0.67 -0.21 -0.70 0.15 -1.00 0.00 0.00 179.01 177.92 3a1n s LYS 106 N -6.12 0.67 -0.11 2.33 1.02 -1.19 -3.90 119.74 112.44 3a1n s LYS 106 Ca -0.15 -1.16 -0.04 0.00 0.02 0.00 0.00 55.97 54.64 3a1n s LYS 106 Cb 0.05 -0.04 0.05 0.00 -0.52 0.00 0.00 37.83 37.37 3a1n s LYS 106 CO 0.64 -0.04 0.21 0.54 -0.92 0.00 0.00 175.35 175.78 3a1n s VAL 107 N -3.26 -0.32 -0.17 3.17 0.11 -0.84 -1.26 120.40 117.83 3a1n s VAL 107 Ca 0.05 0.31 -0.04 0.00 -2.93 0.00 0.00 61.98 59.37 3a1n s VAL 107 Cb 0.03 -0.36 -0.03 0.00 -1.53 0.00 0.00 36.38 34.49 3a1n s VAL 107 CO -0.06 0.13 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.13 3a1n s VAL 108 N 2.28 3.91 -0.19 2.04 1.01 0.16 -1.24 120.40 128.37 3a1n s VAL 108 Ca 0.01 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.66 3a1n s VAL 108 Cb -0.12 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.56 3a1n s VAL 108 CO -0.07 0.48 -0.16 -0.63 0.00 0.00 0.00 175.10 174.72 3a1n s ILE 109 N 0.53 1.89 -0.05 2.22 1.01 -0.40 -0.49 121.20 125.91 3a1n s ILE 109 Ca -0.03 -0.97 -0.30 0.00 0.00 0.00 0.00 60.65 59.36 3a1n s ILE 109 Cb -0.14 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 3a1n s ILE 109 CO 0.03 0.38 1.26 -2.16 0.00 0.00 0.00 174.94 174.45 3a1n s PRO 110 N 1.33 4.32 0.00 2.79 0.04 -1.26 -3.78 135.00 138.45 3a1n s PRO 110 Ca 0.02 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.82 3a1n s PRO 110 Cb -0.14 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.81 3a1n s PRO 110 CO -0.11 -0.51 0.00 0.45 0.04 0.00 0.00 177.00 176.88 3a1n n SER 111 N 5.38 0.00 -3.94 6.66 2.88 0.33 -4.94 113.62 119.99 3a1n n SER 111 Ca 0.12 -0.83 -0.09 0.00 -1.33 0.00 0.00 58.87 56.73 3a1n n SER 111 Cb 0.45 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.85 3a1n n SER 111 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3a1n s THR 112 N 1.05 0.07 -0.76 2.46 -1.32 -1.26 -1.53 115.64 114.35 3a1n s THR 112 Ca 0.00 -1.33 0.19 0.00 -1.21 0.00 0.00 61.69 59.34 3a1n s THR 112 Cb 0.00 -1.77 0.18 0.00 -1.51 0.00 0.00 72.50 69.40 3a1n s THR 112 CO 0.00 -0.32 1.59 2.30 -2.21 0.00 0.00 174.62 175.98 3a1n n ILE 113 N -0.21 0.89 0.23 5.08 -5.35 -0.91 -2.32 119.36 116.78 3a1n n ILE 113 Ca -0.08 0.22 0.12 0.00 -0.27 0.00 0.00 62.75 62.74 3a1n n ILE 113 Cb 0.63 -1.05 0.62 0.00 -1.74 0.00 0.00 39.64 38.09 3a1n n ILE 113 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3a1n h GLY 114 N 2.48 0.00 1.43 3.28 0.00 -1.94 -1.04 103.07 107.28 3a1n h GLY 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a1n h GLY 114 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.87 3a1n n VAL 115 N -2.34 0.30 -3.55 4.60 0.24 -0.98 -4.27 118.33 112.33 3a1n n VAL 115 Ca -0.01 0.07 -0.23 0.00 -2.04 0.00 0.00 64.34 62.14 3a1n n VAL 115 Cb 0.09 -0.74 -0.01 0.00 -1.47 0.00 0.00 33.84 31.70 3a1n n VAL 115 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3a1n s PHE 116 N -2.43 3.47 0.28 6.34 0.08 -0.40 -3.56 117.98 121.76 3a1n s PHE 116 Ca 0.22 0.22 0.04 0.00 0.12 0.00 0.00 56.93 57.53 3a1n s PHE 116 Cb 0.14 -1.81 -0.02 0.00 -0.57 0.00 0.00 43.02 40.76 3a1n s PHE 116 CO 0.29 0.20 0.16 0.41 -0.10 0.00 0.00 175.22 176.18 3a1n n GLY 117 N -1.68 3.31 0.34 4.36 0.00 -1.25 -4.14 105.19 106.14 3a1n n GLY 117 Ca -0.06 -1.95 0.18 0.00 0.00 0.00 0.00 46.02 44.19 3a1n n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a1n h PRO 118 N 0.00 0.00 0.00 1.61 0.13 -1.74 -1.27 132.00 130.73 3a1n h PRO 118 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3a1n h PRO 118 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3a1n h PRO 118 CO 0.32 0.00 -0.15 0.39 -0.23 0.00 0.00 178.00 178.33 3a1n n GLU 119 N -3.49 0.23 -2.32 0.86 4.71 -1.26 -4.82 120.64 114.56 3a1n n GLU 119 Ca 0.00 0.16 -0.42 0.00 -0.01 0.00 0.00 57.16 56.89 3a1n n GLU 119 Cb 0.30 -1.73 -0.03 0.00 -1.01 0.00 0.00 31.44 28.97 3a1n n GLU 119 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 3a1n s THR 120 N -3.10 3.74 0.56 2.62 2.01 -0.48 -4.88 115.64 116.10 3a1n s THR 120 Ca 0.10 1.25 -0.18 0.00 0.31 0.00 0.00 61.69 63.17 3a1n s THR 120 Cb 0.13 -3.80 -0.10 0.00 0.01 0.00 0.00 72.50 68.75 3a1n s THR 120 CO 0.62 0.10 0.45 -2.65 -0.69 0.00 0.00 174.62 172.44 3a1n n PRO 121 N 3.95 0.45 0.12 4.92 -0.02 -1.26 -4.79 135.00 138.37 3a1n n PRO 121 Ca 0.10 0.18 0.09 0.00 -2.02 0.00 0.00 63.50 61.85 3a1n n PRO 121 Cb 0.45 -1.61 0.02 0.00 -0.02 0.00 0.00 33.50 32.34 3a1n n PRO 121 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3a1n h LYS 122 N 0.23 0.00 -4.89 -0.52 1.79 -1.93 -3.42 116.57 107.84 3a1n h LYS 122 Ca -0.45 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 57.64 3a1n h LYS 122 Cb 1.41 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.80 3a1n h LYS 122 CO 0.47 0.08 -0.77 -0.80 -1.08 0.00 0.00 179.45 177.34 3a1n s ASN 123 N -5.65 1.21 -1.31 0.86 0.01 -1.26 -0.24 114.94 108.56 3a1n s ASN 123 Ca 0.01 -0.35 -0.03 0.00 -0.71 0.00 0.00 52.86 51.77 3a1n s ASN 123 Cb 0.08 -0.08 0.02 0.00 0.41 0.00 0.00 41.25 41.69 3a1n s ASN 123 CO 0.77 0.01 0.26 0.29 -1.51 0.00 0.00 177.10 176.91 3a1n n LYS 124 N 2.20 -3.02 -1.93 -0.60 4.76 -1.03 -4.88 118.16 113.65 3a1n n LYS 124 Ca -0.17 0.68 -0.42 0.00 -2.87 0.00 0.00 58.31 55.53 3a1n n LYS 124 Cb 0.56 -5.37 -0.03 0.00 -1.84 0.00 0.00 35.03 28.34 3a1n n LYS 124 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3a1n s VAL 125 N -2.87 3.26 0.90 -0.18 1.01 -1.16 -4.20 120.40 117.16 3a1n s VAL 125 Ca 0.17 0.52 -0.14 0.00 0.00 0.00 0.00 61.98 62.53 3a1n s VAL 125 Cb -0.08 -3.33 0.14 0.00 0.00 0.00 0.00 36.38 33.11 3a1n s VAL 125 CO 0.21 -0.03 1.22 -2.16 0.00 0.00 0.00 175.10 174.34 3a1n s PRO 126 N 3.45 1.20 0.23 2.72 0.04 -1.26 -0.81 135.00 140.56 3a1n s PRO 126 Ca 0.76 -0.06 -0.02 0.00 0.04 0.00 0.00 61.00 61.72 3a1n s PRO 126 Cb -0.37 -1.88 0.23 0.00 0.04 0.00 0.00 34.50 32.52 3a1n s PRO 126 CO 0.32 -2.09 1.63 0.77 0.04 0.00 0.00 177.00 177.67 3a1n h SER 127 N -1.42 0.67 -3.02 6.66 0.02 -1.85 -3.38 113.55 111.24 3a1n h SER 127 Ca -0.46 -0.26 -0.67 0.00 -0.84 0.00 0.00 61.79 59.56 3a1n h SER 127 Cb 1.29 -0.19 -0.17 0.00 0.14 0.00 0.00 62.40 63.48 3a1n h SER 127 CO 0.54 0.93 0.22 -0.63 -1.14 0.00 0.00 176.83 176.75 3a1n s ILE 128 N -4.45 4.70 0.00 3.27 -1.09 -1.26 -4.95 121.20 117.42 3a1n s ILE 128 Ca -0.08 -0.55 0.00 0.00 -2.23 0.00 0.00 60.65 57.79 3a1n s ILE 128 Cb 0.13 -4.46 0.00 0.00 -1.58 0.00 0.00 42.46 36.55 3a1n s ILE 128 CO 0.82 -1.07 0.00 1.07 -1.23 0.00 0.00 174.94 174.53 3a1n n THR 129 N 5.71 0.00 -2.49 2.92 5.66 -1.26 -5.14 114.28 119.69 3a1n n THR 129 Ca -0.06 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.53 3a1n n THR 129 Cb 0.45 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.19 3a1n n THR 129 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3a1n s ILE 130 N -2.74 3.81 -0.42 1.09 -1.09 -1.26 -5.00 121.20 115.60 3a1n s ILE 130 Ca 0.00 1.56 0.02 0.00 -2.23 0.00 0.00 60.65 60.00 3a1n s ILE 130 Cb 0.00 -4.00 0.14 0.00 -1.58 0.00 0.00 42.46 37.03 3a1n s ILE 130 CO 0.00 0.27 0.26 0.28 -1.23 0.00 0.00 174.94 174.52 3a1n s THR 131 N -0.21 0.87 -0.55 2.92 -1.32 -1.26 -4.62 115.64 111.47 3a1n s THR 131 Ca 0.50 -2.38 0.07 0.00 -1.21 0.00 0.00 61.69 58.67 3a1n s THR 131 Cb -0.30 -1.61 0.25 0.00 -1.51 0.00 0.00 72.50 69.33 3a1n s THR 131 CO 0.35 -0.99 0.66 -1.14 -2.21 0.00 0.00 174.62 171.29 3a1n n ARG 132 N 3.51 1.87 -1.72 7.08 0.63 -1.24 -4.96 116.66 121.83 3a1n n ARG 132 Ca 0.14 -4.15 -0.41 0.00 -0.92 0.00 0.00 57.85 52.51 3a1n n ARG 132 Cb 0.38 -1.88 0.01 0.00 0.45 0.00 0.00 32.46 31.41 3a1n n ARG 132 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3a1n n PRO 133 N 1.06 2.10 -0.08 -0.14 -0.04 -1.23 -3.85 135.00 132.81 3a1n n PRO 133 Ca 0.27 0.74 0.08 0.00 -0.04 0.00 0.00 63.50 64.55 3a1n n PRO 133 Cb 0.45 -2.43 0.12 0.00 -0.04 0.00 0.00 33.50 31.60 3a1n n PRO 133 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3a1n n ARG 134 N 0.19 1.78 -4.25 0.54 5.12 -1.26 -4.70 116.66 114.08 3a1n n ARG 134 Ca 0.05 -1.76 -0.28 0.00 -1.93 0.00 0.00 57.85 53.94 3a1n n ARG 134 Cb 0.39 -1.35 -0.09 0.00 -1.16 0.00 0.00 32.46 30.25 3a1n n ARG 134 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3a1n s THR 135 N -1.28 3.36 0.25 0.55 -4.23 -1.26 -5.01 115.64 108.03 3a1n s THR 135 Ca 0.24 -1.49 -0.05 0.00 -1.18 0.00 0.00 61.69 59.21 3a1n s THR 135 Cb 0.15 -2.64 0.26 0.00 1.34 0.00 0.00 72.50 71.61 3a1n s THR 135 CO 0.22 -0.04 1.93 -0.03 -0.54 0.00 0.00 174.62 176.16 3a1n h MET 136 N 3.08 1.30 0.15 3.99 4.05 -1.91 -0.70 114.93 124.89 3a1n h MET 136 Ca -0.47 -0.08 0.01 0.00 -0.28 0.00 0.00 59.70 58.88 3a1n h MET 136 Cb 1.19 -0.29 -0.03 0.00 -0.80 0.00 0.00 31.60 31.67 3a1n h MET 136 CO 0.54 0.86 -0.23 -0.92 0.23 0.00 0.00 176.91 177.40 3a1n h TYR 137 N 1.34 -0.60 -0.57 1.39 3.20 -1.87 -1.18 116.97 118.69 3a1n h TYR 137 Ca 0.37 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.26 3a1n h TYR 137 Cb -0.13 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 3a1n h TYR 137 CO -0.00 -0.33 0.38 0.78 -1.64 0.00 0.00 178.16 177.35 3a1n h GLY 138 N -0.44 0.79 0.84 1.82 0.00 -1.61 -1.24 103.07 103.23 3a1n h GLY 138 Ca 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 3a1n h GLY 138 CO -0.10 0.27 0.04 -2.08 0.00 0.00 0.00 176.54 174.67 3a1n h VAL 139 N 0.74 1.19 0.00 4.60 2.07 -0.67 -1.82 116.25 122.35 3a1n h VAL 139 Ca 0.21 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 3a1n h VAL 139 Cb -0.04 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3a1n h VAL 139 CO -0.05 0.17 -0.22 0.71 0.02 0.00 0.00 177.57 178.21 3a1n h THR 140 N 0.04 1.04 0.07 2.57 1.35 -0.74 -1.74 112.91 115.50 3a1n h THR 140 Ca 0.05 -0.78 -0.28 0.00 -0.55 0.00 0.00 66.41 64.85 3a1n h THR 140 Cb 0.23 1.43 0.03 0.00 -1.73 0.00 0.00 68.15 68.11 3a1n h THR 140 CO -0.00 0.21 -1.12 0.11 -0.25 0.00 0.00 175.52 174.47 3a1n h LYS 141 N 0.00 0.64 -0.30 4.72 1.79 -1.06 -1.23 116.57 121.14 3a1n h LYS 141 Ca -0.00 -0.78 -0.11 0.00 -2.18 0.00 0.00 60.65 57.58 3a1n h LYS 141 Cb 0.41 0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 31.29 3a1n h LYS 141 CO 0.03 1.35 -0.26 0.97 -1.08 0.00 0.00 179.45 180.46 3a1n h ILE 142 N 0.29 1.27 -0.84 1.86 -0.00 -1.21 -0.45 117.51 118.42 3a1n h ILE 142 Ca -0.16 -1.33 -0.02 0.00 -0.00 0.00 0.00 64.86 63.36 3a1n h ILE 142 Cb 1.79 1.32 -0.04 0.00 -0.00 0.00 0.00 36.82 39.90 3a1n h ILE 142 CO 0.22 0.43 0.46 0.00 -0.00 0.00 0.00 178.15 179.25 3a1n h ALA 143 N 1.21 1.21 -0.29 0.18 0.00 -1.27 -1.91 119.26 118.39 3a1n h ALA 143 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3a1n h ALA 143 Cb 0.72 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3a1n h ALA 143 CO 0.05 0.63 0.08 0.00 0.00 0.00 0.00 179.25 180.01 3a1n h ALA 144 N 1.32 0.38 -0.86 0.00 0.00 -0.20 0.24 119.26 120.14 3a1n h ALA 144 Ca 0.30 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3a1n h ALA 144 Cb 0.04 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 3a1n h ALA 144 CO -0.05 0.04 0.55 0.93 0.00 0.00 0.00 179.25 180.72 3a1n h GLU 145 N 0.31 1.01 -0.12 0.00 5.08 -0.79 0.17 114.58 120.24 3a1n h GLU 145 Ca 0.09 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.18 3a1n h GLU 145 Cb 0.27 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3a1n h GLU 145 CO -0.00 0.67 -0.76 -0.07 -1.00 0.00 0.00 179.01 177.84 3a1n h LEU 146 N 1.04 0.75 -0.59 1.33 3.38 -1.20 -2.22 115.31 117.80 3a1n h LEU 146 Ca 0.36 -0.49 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 3a1n h LEU 146 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3a1n h LEU 146 CO -0.14 1.27 -0.24 -0.07 0.09 0.00 0.00 178.44 179.35 3a1n h LEU 147 N 0.43 0.89 -0.21 1.67 4.07 -0.66 -0.66 115.31 120.83 3a1n h LEU 147 Ca -0.04 -0.34 -0.04 0.00 0.08 0.00 0.00 57.88 57.54 3a1n h LEU 147 Cb 1.37 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.86 3a1n h LEU 147 CO 0.15 1.09 -0.03 1.23 -1.08 0.00 0.00 178.44 179.79 3a1n h GLY 148 N 0.92 0.43 1.81 0.83 0.00 -0.96 -0.92 103.07 105.19 3a1n h GLY 148 Ca 0.10 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 3a1n h GLY 148 CO 0.07 0.31 -0.20 -1.61 0.00 0.00 0.00 176.54 175.11 3a1n h GLN 149 N 0.14 0.22 -0.19 4.80 5.75 -1.33 -2.03 115.11 122.48 3a1n h GLN 149 Ca 0.06 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.42 3a1n h GLN 149 Cb 0.47 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.99 3a1n h GLN 149 CO 0.02 0.42 -0.18 -0.92 -2.65 0.00 0.00 178.83 175.52 3a1n h TYR 150 N 0.21 0.54 -0.18 3.99 3.20 -0.89 -1.26 116.97 122.57 3a1n h TYR 150 Ca 0.04 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.73 3a1n h TYR 150 Cb 0.47 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3a1n h TYR 150 CO 0.01 0.81 0.05 1.88 -1.64 0.00 0.00 178.16 179.27 3a1n h TYR 151 N 0.11 0.24 0.37 -3.82 -1.99 -0.89 0.39 116.97 111.37 3a1n h TYR 151 Ca 0.03 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 3a1n h TYR 151 Cb 0.72 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.38 3a1n h TYR 151 CO 0.08 0.21 -0.18 -0.92 -0.00 0.00 0.00 178.16 177.36 3a1n h TYR 152 N 0.25 -0.46 0.00 4.88 3.20 -1.21 0.70 116.97 124.33 3a1n h TYR 152 Ca 0.06 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 3a1n h TYR 152 Cb 0.09 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 3a1n h TYR 152 CO 0.00 -0.14 -0.14 0.93 -1.64 0.00 0.00 178.16 177.18 3a1n h GLU 153 N -0.98 0.00 0.01 1.82 5.08 -0.95 0.44 114.58 119.99 3a1n h GLU 153 Ca -0.05 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.04 3a1n h GLU 153 Cb 0.52 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 3a1n h GLU 153 CO 0.08 0.14 -1.49 1.17 -1.00 0.00 0.00 179.01 177.91 3a1n n LYS 154 N -3.96 0.58 -0.00 2.33 3.00 0.13 -4.64 118.16 115.60 3a1n n LYS 154 Ca -0.02 0.52 0.04 0.00 -0.00 0.00 0.00 58.31 58.85 3a1n n LYS 154 Cb 0.22 -1.71 0.04 0.00 0.00 0.00 0.00 35.03 33.58 3a1n n LYS 154 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3a1n n PHE 155 N -4.35 0.00 -0.94 5.64 3.72 0.17 -4.99 117.46 116.70 3a1n n PHE 155 Ca -0.35 -0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 3a1n n PHE 155 Cb 0.73 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.27 3a1n n PHE 155 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a1n n GLY 156 N 0.48 0.61 3.70 1.37 0.00 0.15 -4.95 105.19 106.55 3a1n n GLY 156 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3a1n n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3a1n n LEU 157 N 0.00 4.03 -4.05 0.99 0.00 -1.01 -4.85 117.00 112.11 3a1n n LEU 157 Ca 0.00 1.02 -0.43 0.00 0.00 0.00 0.00 56.01 56.60 3a1n n LEU 157 Cb 0.05 -1.56 0.00 0.00 0.00 0.00 0.00 43.42 41.91 3a1n n LEU 157 CO 0.00 0.18 2.16 -0.67 0.00 0.00 0.00 177.39 179.06 3a1n n ASP 158 N 4.98 4.61 -4.76 1.96 -0.08 -1.25 -3.26 116.55 118.75 3a1n n ASP 158 Ca 0.17 -2.95 -0.36 0.00 -1.51 0.00 0.00 54.79 50.14 3a1n n ASP 158 Cb 0.36 -1.62 -0.07 0.00 2.34 0.00 0.00 41.12 42.13 3a1n n ASP 158 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3a1n s VAL 159 N 2.44 5.38 0.16 5.18 0.11 -1.26 -1.98 120.40 130.43 3a1n s VAL 159 Ca 0.46 0.32 0.07 0.00 -2.93 0.00 0.00 61.98 59.89 3a1n s VAL 159 Cb 0.08 -3.51 -0.04 0.00 -1.53 0.00 0.00 36.38 31.38 3a1n s VAL 159 CO -0.02 0.47 -0.14 -0.13 -3.33 0.00 0.00 175.10 171.95 3a1n s ARG 160 N 0.06 1.17 -0.02 1.54 0.52 -0.37 -4.72 118.95 117.13 3a1n s ARG 160 Ca 0.12 -1.43 -0.30 0.00 -0.52 0.00 0.00 55.73 53.61 3a1n s ARG 160 Cb -0.12 -0.97 0.07 0.00 0.52 0.00 0.00 34.95 34.45 3a1n s ARG 160 CO 0.01 0.17 0.69 -1.54 0.02 0.00 0.00 175.30 174.66 3a1n s SER 161 N -2.93 -0.62 0.13 0.23 1.04 -0.98 -1.27 113.70 109.30 3a1n s SER 161 Ca 0.16 0.57 0.04 0.00 0.48 0.00 0.00 55.95 57.20 3a1n s SER 161 Cb -0.02 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 3a1n s SER 161 CO 0.04 -0.65 -0.09 -1.48 0.98 0.00 0.00 173.24 172.04 3a1n s LEU 162 N -1.45 2.51 -0.37 2.42 2.34 -1.25 -2.01 118.68 120.88 3a1n s LEU 162 Ca -0.08 -0.99 -0.11 0.00 0.06 0.00 0.00 54.13 53.00 3a1n s LEU 162 Cb -0.00 -0.27 0.02 0.00 -0.56 0.00 0.00 46.19 45.38 3a1n s LEU 162 CO 0.06 -0.36 0.22 -0.13 -1.06 0.00 0.00 176.35 175.07 3a1n s ARG 163 N -3.68 2.92 0.35 1.48 0.52 0.18 0.12 118.95 120.84 3a1n s ARG 163 Ca 0.14 -1.02 -0.23 0.00 -0.52 0.00 0.00 55.73 54.10 3a1n s ARG 163 Cb 0.03 -3.75 -0.10 0.00 0.52 0.00 0.00 34.95 31.64 3a1n s ARG 163 CO -0.01 -0.67 0.92 0.71 0.02 0.00 0.00 175.30 176.27 3a1n s TYR 164 N 1.58 3.54 0.00 -0.53 2.02 -0.58 -2.94 117.35 120.44 3a1n s TYR 164 Ca 0.03 1.66 0.00 0.00 -0.37 0.00 0.00 57.07 58.39 3a1n s TYR 164 Cb -0.19 -2.85 0.00 0.00 -0.40 0.00 0.00 41.96 38.52 3a1n s TYR 164 CO 0.07 0.10 0.00 -0.35 -1.57 0.00 0.00 175.55 173.81 3a1n n PRO 165 N 0.11 2.64 -2.21 -1.71 -0.04 -1.26 -2.14 135.00 130.40 3a1n n PRO 165 Ca 0.03 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.09 3a1n n PRO 165 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 3a1n n PRO 165 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3a1n s GLY 166 N -0.70 2.86 -0.18 0.55 0.00 -0.64 -4.88 107.32 104.34 3a1n s GLY 166 Ca 0.00 1.15 -0.02 0.00 0.00 0.00 0.00 44.72 45.86 3a1n s GLY 166 CO 0.00 1.88 -0.09 -0.42 0.00 0.00 0.00 173.10 174.47 3a1n s ILE 167 N -0.80 3.13 -0.11 0.90 1.01 -1.26 -1.31 121.20 122.76 3a1n s ILE 167 Ca 0.50 -0.60 -0.16 0.00 0.00 0.00 0.00 60.65 60.39 3a1n s ILE 167 Cb -0.37 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 3a1n s ILE 167 CO 0.47 0.48 0.40 -0.63 0.00 0.00 0.00 174.94 175.65 3a1n s ILE 168 N 0.95 5.20 0.22 2.92 1.01 -0.04 -4.92 121.20 126.54 3a1n s ILE 168 Ca -0.01 0.78 -0.19 0.00 0.00 0.00 0.00 60.65 61.23 3a1n s ILE 168 Cb -0.15 -3.73 0.03 0.00 0.01 0.00 0.00 42.46 38.62 3a1n s ILE 168 CO -0.00 0.40 0.59 -0.94 0.00 0.00 0.00 174.94 174.99 3a1n s SER 169 N 0.19 -0.28 0.00 3.58 1.04 -1.26 -0.42 113.70 116.55 3a1n s SER 169 Ca 0.22 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.14 3a1n s SER 169 Cb -0.15 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.61 3a1n s SER 169 CO 0.09 -1.15 0.00 0.00 0.98 0.00 0.00 173.24 173.16 3a1n n TYR 170 N -0.39 0.00 -0.02 5.02 4.11 -1.26 -4.83 117.16 119.79 3a1n n TYR 170 Ca -0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.71 3a1n n TYR 170 Cb 0.62 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.90 3a1n n TYR 170 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.86 176.64 3a1n h LYS 171 N 0.00 0.18 -6.09 -3.48 3.64 -1.98 -3.41 116.57 105.43 3a1n h LYS 171 Ca 0.00 -0.02 -0.60 0.00 -1.27 0.00 0.00 60.65 58.76 3a1n h LYS 171 Cb 0.41 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.15 3a1n h LYS 171 CO 0.00 0.20 -0.16 0.00 -2.27 0.00 0.00 179.45 177.22 3a1n s ALA 172 N -5.86 3.67 0.25 5.00 0.00 -1.26 -5.06 121.76 118.49 3a1n s ALA 172 Ca -0.13 -0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.36 3a1n s ALA 172 Cb 0.07 -2.44 -0.09 0.00 0.00 0.00 0.00 23.12 20.66 3a1n s ALA 172 CO 0.69 0.47 0.99 -1.83 0.00 0.00 0.00 175.76 176.07 3a1n s GLU 173 N -1.21 4.79 0.67 0.00 -1.05 -1.26 -4.95 118.70 115.68 3a1n s GLU 173 Ca 0.27 1.58 -0.17 0.00 -0.15 0.00 0.00 54.97 56.50 3a1n s GLU 173 Cb -0.17 -3.26 -0.04 0.00 -0.44 0.00 0.00 34.13 30.22 3a1n s GLU 173 CO 0.15 0.42 0.66 -0.35 0.95 0.00 0.00 175.26 177.09 3a1n n PRO 174 N 1.44 0.47 -2.12 -4.83 -0.04 -1.26 -4.96 135.00 123.71 3a1n n PRO 174 Ca -0.02 0.20 -0.14 0.00 -0.04 0.00 0.00 63.50 63.51 3a1n n PRO 174 Cb 0.46 -1.91 0.04 0.00 -0.04 0.00 0.00 33.50 32.06 3a1n n PRO 174 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3a1n n THR 175 N -2.14 2.05 -1.95 0.52 -2.24 -1.26 -4.97 114.28 104.28 3a1n n THR 175 Ca 0.11 -3.65 -0.17 0.00 -2.27 0.00 0.00 64.05 58.08 3a1n n THR 175 Cb 0.49 -0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.39 3a1n n THR 175 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a1n n ALA 176 N -0.67 -0.48 -1.49 6.98 0.00 -1.26 -4.95 120.51 118.65 3a1n n ALA 176 Ca 0.30 0.20 -0.32 0.00 0.00 0.00 0.00 53.44 53.63 3a1n n ALA 176 Cb 0.91 -1.78 0.05 0.00 0.00 0.00 0.00 19.45 18.63 3a1n n ALA 176 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3a1n s GLY 177 N -2.23 1.80 0.28 0.00 0.00 -1.26 -4.87 107.32 101.04 3a1n s GLY 177 Ca 0.00 0.24 -0.00 0.00 0.00 0.00 0.00 44.72 44.96 3a1n s GLY 177 CO 0.00 0.57 1.64 -0.84 0.00 0.00 0.00 173.10 174.47 3a1n h THR 178 N -0.55 0.31 -0.01 0.90 2.02 -1.92 0.46 112.91 114.11 3a1n h THR 178 Ca -0.45 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.67 3a1n h THR 178 Cb 1.22 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3a1n h THR 178 CO 0.55 0.03 -0.28 0.35 0.37 0.00 0.00 175.52 176.55 3a1n n THR 179 N -5.27 0.00 0.22 3.16 -2.24 -1.26 -4.33 114.28 104.56 3a1n n THR 179 Ca 0.20 -0.16 0.03 0.00 -2.27 0.00 0.00 64.05 61.85 3a1n n THR 179 Cb 0.64 0.54 0.13 0.00 -2.10 0.00 0.00 70.33 69.54 3a1n n THR 179 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3a1n n ASP 180 N -0.49 0.00 0.17 3.42 8.00 0.15 -2.20 116.55 125.61 3a1n n ASP 180 Ca 0.12 0.45 0.05 0.00 0.71 0.00 0.00 54.79 56.12 3a1n n ASP 180 Cb 0.37 -0.46 0.51 0.00 -0.02 0.00 0.00 41.12 41.52 3a1n n ASP 180 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 3a1n h TYR 181 N 0.00 0.15 0.00 1.24 -0.00 -1.75 -0.36 116.97 116.24 3a1n h TYR 181 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3a1n h TYR 181 Cb 0.09 -0.05 0.00 0.00 -0.00 0.00 0.00 36.73 36.78 3a1n h TYR 181 CO 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 178.16 178.35 3a1n n ALA 182 N -2.51 1.51 -0.05 0.10 0.00 -0.93 -1.55 120.51 117.08 3a1n n ALA 182 Ca -0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 3a1n n ALA 182 Cb 0.16 -1.16 -0.04 0.00 0.00 0.00 0.00 19.45 18.41 3a1n n ALA 182 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3a1n n VAL 183 N -1.42 0.59 -0.33 0.00 3.14 -0.27 -4.64 118.33 115.41 3a1n n VAL 183 Ca 0.03 -0.20 0.05 0.00 -2.96 0.00 0.00 64.34 61.27 3a1n n VAL 183 Cb 0.10 -1.16 0.24 0.00 -1.06 0.00 0.00 33.84 31.96 3a1n n VAL 183 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 3a1n h GLU 184 N -0.15 0.99 -0.76 1.45 5.08 -1.04 -2.62 114.58 117.53 3a1n h GLU 184 Ca -0.25 -0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.17 3a1n h GLU 184 Cb 1.31 -0.22 -0.08 0.00 0.50 0.00 0.00 28.75 30.26 3a1n h GLU 184 CO -0.09 0.65 0.37 0.97 -1.00 0.00 0.00 179.01 179.92 3a1n h ILE 185 N 1.02 0.79 -0.66 3.13 2.10 -1.54 -1.55 117.51 120.81 3a1n h ILE 185 Ca 0.43 -0.20 -0.00 0.00 1.08 0.00 0.00 64.86 66.16 3a1n h ILE 185 Cb 0.31 0.15 -0.03 0.00 -1.09 0.00 0.00 36.82 36.16 3a1n h ILE 185 CO -0.19 0.11 0.39 -0.26 -1.08 0.00 0.00 178.15 177.12 3a1n h PHE 186 N 0.59 0.86 -0.21 2.19 0.04 -1.73 -0.46 116.94 118.21 3a1n h PHE 186 Ca 0.39 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.16 3a1n h PHE 186 Cb 0.48 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 3a1n h PHE 186 CO -0.11 0.58 0.12 1.88 -0.60 0.00 0.00 178.31 180.17 3a1n h TYR 187 N 0.90 0.30 -0.65 -0.55 -1.99 -1.35 -1.18 116.97 112.45 3a1n h TYR 187 Ca 0.24 -0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.88 3a1n h TYR 187 Cb -0.03 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 38.58 3a1n h TYR 187 CO 0.00 0.27 0.09 1.88 -0.00 0.00 0.00 178.16 180.40 3a1n h TYR 188 N 0.24 1.15 -0.23 4.88 -1.99 -1.23 -2.99 116.97 116.80 3a1n h TYR 188 Ca 0.08 -0.17 0.03 0.00 2.00 0.00 0.00 58.73 60.67 3a1n h TYR 188 Cb 0.08 -0.31 -0.03 0.00 2.00 0.00 0.00 36.73 38.46 3a1n h TYR 188 CO -0.03 0.98 0.06 0.00 -0.00 0.00 0.00 178.16 179.16 3a1n h ALA 189 N 1.03 0.24 0.00 3.88 0.00 -0.75 0.08 119.26 123.74 3a1n h ALA 189 Ca 0.19 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3a1n h ALA 189 Cb 0.46 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3a1n h ALA 189 CO 0.02 -0.36 0.00 -0.39 0.00 0.00 0.00 179.25 178.51 3a1n h VAL 190 N 0.15 0.00 -0.05 0.00 -1.51 -1.19 0.68 116.25 114.34 3a1n h VAL 190 Ca 0.10 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 3a1n h VAL 190 Cb 0.09 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 3a1n h VAL 190 CO -0.13 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.50 3a1n n LYS 191 N -3.04 2.19 -3.66 5.19 5.02 -0.70 -4.95 118.16 118.22 3a1n n LYS 191 Ca -0.01 -1.74 -0.27 0.00 -2.02 0.00 0.00 58.31 54.27 3a1n n LYS 191 Cb 0.20 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.77 3a1n n LYS 191 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3a1n n ARG 192 N 1.10 -5.20 -4.05 1.97 1.74 0.23 -4.98 116.66 107.47 3a1n n ARG 192 Ca 0.15 0.63 -0.27 0.00 -0.77 0.00 0.00 57.85 57.60 3a1n n ARG 192 Cb 0.55 -5.50 -0.05 0.00 -1.02 0.00 0.00 32.46 26.43 3a1n n ARG 192 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3a1n s GLU 193 N -6.35 3.01 0.14 5.56 2.02 -0.21 -4.78 118.70 118.08 3a1n s GLU 193 Ca 0.56 -0.77 -0.30 0.00 0.02 0.00 0.00 54.97 54.47 3a1n s GLU 193 Cb -0.28 -2.73 -0.08 0.00 0.10 0.00 0.00 34.13 31.15 3a1n s GLU 193 CO 0.69 0.51 1.25 0.21 0.02 0.00 0.00 175.26 177.94 3a1n s LYS 194 N -2.96 4.43 -0.12 1.61 2.20 -1.26 -4.16 119.74 119.48 3a1n s LYS 194 Ca 0.31 1.92 -0.05 0.00 -0.36 0.00 0.00 55.97 57.79 3a1n s LYS 194 Cb -0.11 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 3a1n s LYS 194 CO 0.24 -0.22 0.06 -0.47 -0.36 0.00 0.00 175.35 174.61 3a1n s TYR 195 N 0.45 3.34 -0.47 4.03 5.04 0.47 -4.95 117.35 125.26 3a1n s TYR 195 Ca 0.57 0.29 -0.14 0.00 -2.44 0.00 0.00 57.07 55.35 3a1n s TYR 195 Cb -0.33 -1.91 0.09 0.00 0.35 0.00 0.00 41.96 40.16 3a1n s TYR 195 CO 0.34 0.50 0.37 0.15 -1.34 0.00 0.00 175.55 175.57 3a1n s LYS 196 N -0.66 2.85 0.01 4.97 1.02 -1.26 -0.12 119.74 126.55 3a1n s LYS 196 Ca 0.12 -1.47 -0.25 0.00 0.02 0.00 0.00 55.97 54.39 3a1n s LYS 196 Cb -0.12 -4.06 -0.05 0.00 -0.52 0.00 0.00 37.83 33.09 3a1n s LYS 196 CO 0.02 -1.07 0.75 0.00 -0.92 0.00 0.00 175.35 174.14 3a1n n TYR 198 N 3.13 0.00 -4.11 0.00 0.18 -1.26 -0.90 117.16 114.21 3a1n n TYR 198 Ca -0.02 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.47 3a1n n TYR 198 Cb 0.51 -0.04 -0.07 0.00 -0.38 0.00 0.00 39.34 39.35 3a1n n TYR 198 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3a1n s LEU 199 N -2.20 3.61 0.65 -3.48 1.43 -1.26 -2.45 118.68 114.97 3a1n s LEU 199 Ca 0.31 -0.15 -0.18 0.00 -1.03 0.00 0.00 54.13 53.09 3a1n s LEU 199 Cb 0.20 -2.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 3a1n s LEU 199 CO 0.41 0.14 1.05 0.00 0.23 0.00 0.00 176.35 178.17 3a1n n ALA 200 N 0.23 0.33 -0.33 4.21 0.00 -1.26 -4.76 120.51 118.93 3a1n n ALA 200 Ca -0.09 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.43 3a1n n ALA 200 Cb 0.53 -2.17 0.31 0.00 0.00 0.00 0.00 19.45 18.12 3a1n n ALA 200 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3a1n h PRO 201 N 0.30 0.65 -0.67 0.00 0.11 -1.97 -1.96 132.00 128.45 3a1n h PRO 201 Ca -0.49 -0.04 -0.42 0.00 0.11 0.00 0.00 66.00 65.16 3a1n h PRO 201 Cb 1.35 -0.15 -0.25 0.00 0.11 0.00 0.00 31.00 32.07 3a1n h PRO 201 CO 0.50 0.43 0.06 0.09 -0.21 0.00 0.00 178.00 178.87 3a1n n ASN 202 N -4.84 4.33 -4.52 -2.05 5.03 -1.26 -1.19 115.26 110.75 3a1n n ASN 202 Ca 0.22 -3.76 -0.42 0.00 0.87 0.00 0.00 54.58 51.49 3a1n n ASN 202 Cb 0.58 -0.67 -0.03 0.00 -1.02 0.00 0.00 39.78 38.64 3a1n n ASN 202 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 3a1n s ARG 203 N -3.47 3.45 0.10 3.52 6.06 -0.74 -4.93 118.95 122.95 3a1n s ARG 203 Ca 0.52 -1.02 -0.30 0.00 -2.50 0.00 0.00 55.73 52.43 3a1n s ARG 203 Cb 0.44 -4.89 -0.06 0.00 0.06 0.00 0.00 34.95 30.51 3a1n s ARG 203 CO 0.02 -2.07 1.04 0.00 -2.50 0.00 0.00 175.30 171.79 3a1n s ALA 204 N 4.59 3.28 0.03 6.12 0.00 -1.26 -4.12 121.76 130.40 3a1n s ALA 204 Ca 0.38 0.67 -0.08 0.00 0.00 0.00 0.00 51.96 52.93 3a1n s ALA 204 Cb -0.05 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3a1n s ALA 204 CO -0.02 -0.17 0.16 -0.51 0.00 0.00 0.00 175.76 175.22 3a1n s LEU 205 N 0.23 1.49 0.39 0.00 1.43 -1.04 -4.27 118.68 116.91 3a1n s LEU 205 Ca 0.50 -0.34 -0.24 0.00 -1.03 0.00 0.00 54.13 53.03 3a1n s LEU 205 Cb -0.25 0.82 -0.10 0.00 0.03 0.00 0.00 46.19 46.69 3a1n s LEU 205 CO 0.31 -0.49 0.99 -2.16 0.23 0.00 0.00 176.35 175.23 3a1n s PRO 206 N -2.20 4.30 0.21 1.29 0.04 -0.90 -2.56 135.00 135.18 3a1n s PRO 206 Ca -0.08 1.34 -0.08 0.00 0.04 0.00 0.00 61.00 62.22 3a1n s PRO 206 Cb -0.03 -2.51 -0.02 0.00 0.04 0.00 0.00 34.50 31.99 3a1n s PRO 206 CO -0.02 0.01 0.30 -1.64 0.04 0.00 0.00 177.00 175.69 3a1n s MET 207 N -2.57 1.32 0.10 4.56 -1.94 0.13 -1.61 119.30 119.29 3a1n s MET 207 Ca 0.57 -1.36 -0.25 0.00 -1.71 0.00 0.00 55.69 52.93 3a1n s MET 207 Cb -0.17 0.38 0.08 0.00 2.01 0.00 0.00 34.83 37.12 3a1n s MET 207 CO 0.22 -0.50 0.66 0.00 -0.01 0.00 0.00 175.02 175.39 3a1n s MET 208 N -4.05 1.17 0.10 2.03 0.23 -0.42 -2.06 119.30 116.30 3a1n s MET 208 Ca 0.27 -0.34 -0.15 0.00 -1.03 0.00 0.00 55.69 54.44 3a1n s MET 208 Cb 0.03 0.54 -0.07 0.00 -1.53 0.00 0.00 34.83 33.81 3a1n s MET 208 CO 0.08 -0.49 0.52 -0.47 -2.03 0.00 0.00 175.02 172.62 3a1n s TYR 209 N -3.28 3.66 0.37 3.16 5.04 -1.26 -0.86 117.35 124.17 3a1n s TYR 209 Ca 0.00 1.07 0.17 0.00 -2.44 0.00 0.00 57.07 55.86 3a1n s TYR 209 Cb -0.01 -2.36 1.10 0.00 0.35 0.00 0.00 41.96 41.03 3a1n s TYR 209 CO -0.09 0.50 1.71 1.98 -1.34 0.00 0.00 175.55 178.31 3a1n h MET 210 N 3.93 0.36 -0.34 4.97 -1.53 -1.10 -1.15 114.93 120.07 3a1n h MET 210 Ca -0.49 -0.02 0.04 0.00 -3.44 0.00 0.00 59.70 55.79 3a1n h MET 210 Cb 1.20 -0.08 -0.04 0.00 -0.55 0.00 0.00 31.60 32.13 3a1n h MET 210 CO 0.65 0.24 0.10 -1.35 0.14 0.00 0.00 176.91 176.69 3a1n h PRO 211 N 0.37 0.23 -0.04 0.39 0.11 -1.94 0.13 132.00 131.25 3a1n h PRO 211 Ca 0.68 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.66 3a1n h PRO 211 Cb 1.65 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.69 3a1n h PRO 211 CO -0.45 0.15 -0.51 -0.44 -0.21 0.00 0.00 178.00 176.54 3a1n h ASP 212 N 0.24 0.11 -0.68 -2.05 3.32 -1.62 -2.49 116.42 113.25 3a1n h ASP 212 Ca 0.16 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3a1n h ASP 212 Cb 0.15 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3a1n h ASP 212 CO -0.18 0.60 0.37 0.00 -1.72 0.00 0.00 179.24 178.31 3a1n h ALA 213 N 1.40 0.87 -0.04 3.45 0.00 -0.53 -0.70 119.26 123.70 3a1n h ALA 213 Ca -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3a1n h ALA 213 Cb 0.94 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3a1n h ALA 213 CO 0.07 0.38 -0.01 -0.07 0.00 0.00 0.00 179.25 179.63 3a1n h LEU 214 N 0.93 0.08 -0.76 0.00 4.07 -0.82 -2.61 115.31 116.20 3a1n h LEU 214 Ca 0.24 -0.35 0.01 0.00 0.08 0.00 0.00 57.88 57.85 3a1n h LEU 214 Cb 0.04 -0.02 -0.04 0.00 1.08 0.00 0.00 40.66 41.72 3a1n h LEU 214 CO -0.04 0.42 0.50 0.50 -1.08 0.00 0.00 178.44 178.74 3a1n h LYS 215 N -0.25 1.01 -0.58 1.13 3.64 -1.36 -1.94 116.57 118.21 3a1n h LYS 215 Ca 0.01 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3a1n h LYS 215 Cb 0.38 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 3a1n h LYS 215 CO 0.00 0.67 0.36 0.00 -2.27 0.00 0.00 179.45 178.22 3a1n h ALA 216 N 1.27 0.75 -0.40 5.00 0.00 -1.11 0.19 119.26 124.97 3a1n h ALA 216 Ca 0.28 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3a1n h ALA 216 Cb -0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3a1n h ALA 216 CO -0.06 0.10 0.15 1.25 0.00 0.00 0.00 179.25 180.68 3a1n h LEU 217 N 0.71 0.57 -0.60 0.00 5.85 -1.06 -1.08 115.31 119.69 3a1n h LEU 217 Ca 0.23 -0.18 -0.15 0.00 0.84 0.00 0.00 57.88 58.62 3a1n h LEU 217 Cb 0.01 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3a1n h LEU 217 CO -0.10 0.60 -0.51 -0.37 -0.34 0.00 0.00 178.44 177.72 3a1n h VAL 218 N 0.50 1.32 -0.55 1.05 -1.51 -1.04 -1.10 116.25 114.92 3a1n h VAL 218 Ca 0.13 -1.75 -0.04 0.00 -1.23 0.00 0.00 66.70 63.81 3a1n h VAL 218 Cb 0.22 1.75 -0.02 0.00 -2.13 0.00 0.00 31.29 31.10 3a1n h VAL 218 CO -0.01 0.54 0.17 0.44 -1.23 0.00 0.00 177.57 177.48 3a1n h ASP 219 N 0.39 0.80 -0.28 4.19 3.32 -0.49 0.28 116.42 124.64 3a1n h ASP 219 Ca 0.01 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 56.87 3a1n h ASP 219 Cb 1.03 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 3a1n h ASP 219 CO 0.09 0.80 0.17 0.25 -1.72 0.00 0.00 179.24 178.83 3a1n h LEU 220 N 0.76 0.28 -1.46 1.55 6.46 -1.02 -1.32 115.31 120.56 3a1n h LEU 220 Ca 0.18 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.91 3a1n h LEU 220 Cb 0.28 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 3a1n h LEU 220 CO -0.01 0.20 0.12 0.22 -0.62 0.00 0.00 178.44 178.35 3a1n h TYR 221 N 0.35 0.47 -0.00 1.25 5.03 -0.78 -2.65 116.97 120.64 3a1n h TYR 221 Ca 0.11 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.40 3a1n h TYR 221 Cb -0.02 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.12 3a1n h TYR 221 CO -0.07 0.39 -0.31 0.39 -1.32 0.00 0.00 178.16 177.24 3a1n n GLU 222 N -4.38 0.24 -1.61 1.82 1.02 0.95 -4.93 120.64 113.75 3a1n n GLU 222 Ca 0.02 -0.11 -0.37 0.00 -0.02 0.00 0.00 57.16 56.67 3a1n n GLU 222 Cb 0.15 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.14 3a1n n GLU 222 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a1n n ALA 223 N -1.28 0.45 -2.02 0.62 0.00 -0.55 -4.91 120.51 112.82 3a1n n ALA 223 Ca 0.08 -0.04 -0.41 0.00 0.00 0.00 0.00 53.44 53.07 3a1n n ALA 223 Cb 0.33 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 3a1n n ALA 223 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3a1n s ASP 224 N -1.38 6.85 0.35 0.00 2.15 -1.26 -4.91 116.67 118.46 3a1n s ASP 224 Ca 0.78 2.42 0.10 0.00 0.43 0.00 0.00 52.55 56.28 3a1n s ASP 224 Cb -0.39 -2.61 0.84 0.00 -0.30 0.00 0.00 42.92 40.46 3a1n s ASP 224 CO 0.45 -0.57 1.83 -0.09 -0.17 0.00 0.00 175.17 176.62 3a1n h ARG 225 N 5.59 0.65 -0.19 4.34 1.12 -1.97 -1.76 114.38 122.17 3a1n h ARG 225 Ca -0.44 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.39 3a1n h ARG 225 Cb 1.21 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 31.03 3a1n h ARG 225 CO 0.79 0.43 0.00 -0.40 -3.11 0.00 0.00 179.97 177.68 3a1n n ASP 226 N -4.61 2.02 -0.47 -3.80 5.75 -1.26 -4.10 116.55 110.08 3a1n n ASP 226 Ca 0.20 -1.76 0.08 0.00 -0.01 0.00 0.00 54.79 53.30 3a1n n ASP 226 Cb 0.55 -0.12 0.02 0.00 -1.03 0.00 0.00 41.12 40.54 3a1n n ASP 226 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3a1n n LYS 227 N 0.56 1.56 -3.38 0.11 4.76 -0.66 -4.93 118.16 116.17 3a1n n LYS 227 Ca 0.17 -1.04 -0.38 0.00 -2.87 0.00 0.00 58.31 54.19 3a1n n LYS 227 Cb 0.39 -1.28 -0.06 0.00 -1.84 0.00 0.00 35.03 32.24 3a1n n LYS 227 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3a1n s LEU 228 N -1.79 4.31 -0.11 -0.35 1.43 -1.23 -4.93 118.68 116.01 3a1n s LEU 228 Ca 0.15 0.80 -0.08 0.00 -1.03 0.00 0.00 54.13 53.97 3a1n s LEU 228 Cb 0.13 -2.63 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 3a1n s LEU 228 CO 0.33 0.08 -0.18 1.33 0.23 0.00 0.00 176.35 178.14 3a1n n VAL 229 N 3.30 0.97 0.02 -1.59 0.24 -1.26 -4.65 118.33 115.36 3a1n n VAL 229 Ca -0.09 -0.05 -0.12 0.00 -2.04 0.00 0.00 64.34 62.04 3a1n n VAL 229 Cb 0.52 -1.78 -0.07 0.00 -1.47 0.00 0.00 33.84 31.03 3a1n n VAL 229 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3a1n h LEU 230 N -0.51 0.04 0.00 1.34 5.85 -1.97 -3.45 115.31 116.62 3a1n h LEU 230 Ca -0.24 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3a1n h LEU 230 Cb 1.05 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3a1n h LEU 230 CO -0.15 0.12 0.00 -1.14 -0.34 0.00 0.00 178.44 176.93 3a1n n ARG 231 N -5.02 0.00 -4.63 1.25 0.63 -1.26 -4.78 116.66 102.85 3a1n n ARG 231 Ca -0.07 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.63 3a1n n ARG 231 Cb 0.07 -0.16 -0.16 0.00 0.45 0.00 0.00 32.46 32.66 3a1n n ARG 231 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 3a1n s ASN 232 N 0.00 1.74 0.00 6.15 0.01 -1.26 -2.31 114.94 119.26 3a1n s ASN 232 Ca 0.00 -0.28 0.00 0.00 -0.71 0.00 0.00 52.86 51.87 3a1n s ASN 232 Cb 0.00 -0.52 0.00 0.00 0.41 0.00 0.00 41.25 41.14 3a1n s ASN 232 CO 0.00 0.10 0.00 0.61 -1.51 0.00 0.00 177.10 176.30 3a1n n GLY 233 N 3.30 0.95 3.67 0.66 0.00 -0.85 -4.94 105.19 107.97 3a1n n GLY 233 Ca -0.19 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 3a1n n GLY 233 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a1n s TYR 234 N -2.00 1.99 0.16 1.61 1.51 -1.15 -4.65 117.35 114.81 3a1n s TYR 234 Ca 0.00 0.12 -0.30 0.00 -1.01 0.00 0.00 57.07 55.88 3a1n s TYR 234 Cb 0.00 -3.99 -0.08 0.00 -0.11 0.00 0.00 41.96 37.79 3a1n s TYR 234 CO 0.00 -4.15 1.22 -0.80 -1.11 0.00 0.00 175.55 170.71 3a1n s ASN 235 N 3.25 7.05 -0.02 2.29 -0.87 -1.26 0.47 114.94 125.85 3a1n s ASN 235 Ca 0.76 2.21 0.01 0.00 -1.57 0.00 0.00 52.86 54.27 3a1n s ASN 235 Cb -0.37 -2.60 0.01 0.00 -0.02 0.00 0.00 41.25 38.27 3a1n s ASN 235 CO 0.32 -0.43 -0.02 -0.69 -2.57 0.00 0.00 177.10 173.72 3a1n s VAL 236 N 0.27 0.25 0.19 1.60 1.01 -1.15 -4.36 120.40 118.21 3a1n s VAL 236 Ca 0.55 -0.05 -0.23 0.00 0.00 0.00 0.00 61.98 62.25 3a1n s VAL 236 Cb -0.33 -0.27 0.05 0.00 0.00 0.00 0.00 36.38 35.83 3a1n s VAL 236 CO 0.35 0.12 0.73 0.28 0.00 0.00 0.00 175.10 176.57 3a1n s THR 237 N 0.45 0.00 0.00 3.92 -1.32 -1.26 -4.01 115.64 113.41 3a1n s THR 237 Ca -0.04 -0.52 0.00 0.00 -1.21 0.00 0.00 61.69 59.91 3a1n s THR 237 Cb -0.08 -1.57 0.00 0.00 -1.51 0.00 0.00 72.50 69.35 3a1n s THR 237 CO -0.01 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.40 3a1n n ALA 238 N -0.41 1.97 -3.70 11.08 0.00 -0.87 -4.91 120.51 123.65 3a1n n ALA 238 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.32 3a1n n ALA 238 Cb 0.62 0.37 -0.01 0.00 0.00 0.00 0.00 19.45 20.42 3a1n n ALA 238 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3a1n s TYR 239 N -1.81 -0.14 -0.00 0.00 1.13 -0.95 -4.93 117.35 110.64 3a1n s TYR 239 Ca 0.00 -0.10 0.06 0.00 -1.41 0.00 0.00 57.07 55.61 3a1n s TYR 239 Cb 0.00 0.61 -0.02 0.00 -1.10 0.00 0.00 41.96 41.45 3a1n s TYR 239 CO 0.00 -0.70 -0.17 0.99 -2.51 0.00 0.00 175.55 173.16 3a1n s THR 240 N -3.12 1.38 0.17 -3.49 2.01 -1.26 0.18 115.64 111.51 3a1n s THR 240 Ca 0.12 -0.82 -0.22 0.00 0.31 0.00 0.00 61.69 61.08 3a1n s THR 240 Cb -0.00 -1.16 0.06 0.00 0.01 0.00 0.00 72.50 71.41 3a1n s THR 240 CO -0.00 0.33 0.60 0.72 -0.69 0.00 0.00 174.62 175.58 3a1n s PHE 241 N -0.49 -0.47 0.35 4.92 -0.12 -1.06 -4.95 117.98 116.15 3a1n s PHE 241 Ca 0.06 0.22 0.07 0.00 -0.05 0.00 0.00 56.93 57.24 3a1n s PHE 241 Cb -0.07 0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 42.87 3a1n s PHE 241 CO -0.00 -0.89 0.46 0.95 -0.05 0.00 0.00 175.22 175.69 3a1n s THR 242 N -3.78 3.83 0.29 -4.49 -4.23 -1.26 -2.48 115.64 103.52 3a1n s THR 242 Ca 0.03 -1.05 -0.02 0.00 -1.18 0.00 0.00 61.69 59.47 3a1n s THR 242 Cb -0.01 -3.32 0.22 0.00 1.34 0.00 0.00 72.50 70.72 3a1n s THR 242 CO -0.10 -0.13 1.91 -0.65 -0.54 0.00 0.00 174.62 175.10 3a1n h PRO 243 N 0.90 0.98 -0.52 3.99 0.11 -1.70 -1.79 132.00 133.98 3a1n h PRO 243 Ca -0.45 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.55 3a1n h PRO 243 Cb 1.26 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3a1n h PRO 243 CO 0.52 0.73 0.33 1.03 -0.21 0.00 0.00 178.00 180.41 3a1n h SER 244 N 0.99 0.60 0.08 -2.05 0.87 -1.44 -0.72 113.55 111.88 3a1n h SER 244 Ca 0.25 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 3a1n h SER 244 Cb 0.05 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 3a1n h SER 244 CO -0.04 0.45 -0.04 -0.33 -0.53 0.00 0.00 176.83 176.34 3a1n h GLU 245 N 0.70 -0.11 -0.99 2.24 5.08 -1.65 -1.83 114.58 118.01 3a1n h GLU 245 Ca 0.19 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.63 3a1n h GLU 245 Cb -0.06 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.14 3a1n h GLU 245 CO -0.04 0.07 0.64 1.25 -1.00 0.00 0.00 179.01 179.93 3a1n h LEU 246 N -0.26 1.01 0.72 1.33 5.85 -1.21 -1.30 115.31 121.43 3a1n h LEU 246 Ca -0.01 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3a1n h LEU 246 Cb 0.22 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 3a1n h LEU 246 CO 0.02 0.62 -0.44 0.22 -0.34 0.00 0.00 178.44 178.53 3a1n h TYR 247 N 1.13 -1.16 -0.74 1.25 3.20 -0.92 -0.93 116.97 118.80 3a1n h TYR 247 Ca 0.44 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.39 3a1n h TYR 247 Cb 0.22 0.41 -0.05 0.00 1.54 0.00 0.00 36.73 38.85 3a1n h TYR 247 CO -0.01 -0.66 0.48 0.66 -1.64 0.00 0.00 178.16 177.00 3a1n h SER 248 N -1.08 0.59 0.00 -2.11 4.64 -0.98 0.19 113.55 114.79 3a1n h SER 248 Ca -0.09 0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.08 3a1n h SER 248 Cb 0.87 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 3a1n h SER 248 CO 0.10 0.35 -0.53 0.11 -0.87 0.00 0.00 176.83 175.99 3a1n h LYS 249 N 0.65 0.57 -0.18 4.77 1.57 -1.05 -2.36 116.57 120.54 3a1n h LYS 249 Ca 0.34 -0.35 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 3a1n h LYS 249 Cb 0.45 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3a1n h LYS 249 CO -0.12 0.96 -0.47 0.82 -0.57 0.00 0.00 179.45 180.07 3a1n h ILE 250 N 0.45 1.32 -0.09 1.86 2.04 0.10 -2.88 117.51 120.30 3a1n h ILE 250 Ca 0.01 -1.67 -0.02 0.00 1.00 0.00 0.00 64.86 64.18 3a1n h ILE 250 Cb 1.07 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 3a1n h ILE 250 CO 0.10 0.52 -0.02 0.50 0.00 0.00 0.00 178.15 179.25 3a1n h LYS 251 N 0.38 0.13 0.00 2.37 3.64 -0.35 0.13 116.57 122.87 3a1n h LYS 251 Ca 0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3a1n h LYS 251 Cb 0.97 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3a1n h LYS 251 CO 0.08 0.16 -0.05 0.93 -2.27 0.00 0.00 179.45 178.31 3a1n h GLU 252 N 0.13 0.00 0.03 1.90 5.08 -1.20 -0.64 114.58 119.88 3a1n h GLU 252 Ca 0.03 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 58.01 3a1n h GLU 252 Cb 0.12 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 3a1n h GLU 252 CO 0.00 0.05 -2.33 0.54 -1.00 0.00 0.00 179.01 176.27 3a1n n ARG 253 N -3.98 0.67 -3.79 2.33 3.00 -0.29 -4.73 116.66 109.88 3a1n n ARG 253 Ca -0.03 0.20 -0.28 0.00 -0.01 0.00 0.00 57.85 57.73 3a1n n ARG 253 Cb 0.13 -1.57 -0.12 0.00 0.00 0.00 0.00 32.46 30.90 3a1n n ARG 253 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3a1n s ILE 254 N -2.53 2.21 0.61 0.55 1.01 0.32 -4.98 121.20 118.38 3a1n s ILE 254 Ca -0.32 -3.68 0.32 0.00 0.00 0.00 0.00 60.65 56.97 3a1n s ILE 254 Cb 0.09 -2.47 0.37 0.00 0.01 0.00 0.00 42.46 40.45 3a1n s ILE 254 CO 0.64 -1.02 2.20 1.55 0.00 0.00 0.00 174.94 178.31 3a1n h PRO 255 N 5.70 0.00 0.00 2.79 0.13 -1.37 -2.33 132.00 136.92 3a1n h PRO 255 Ca 0.13 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.23 3a1n h PRO 255 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 3a1n h PRO 255 CO 0.62 0.00 -0.12 0.93 -0.23 0.00 0.00 178.00 179.20 3a1n h GLU 256 N 0.00 0.00 -6.52 0.86 3.07 -1.94 -3.46 114.58 106.59 3a1n h GLU 256 Ca 0.03 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.29 3a1n h GLU 256 Cb 0.22 0.00 0.09 0.00 -0.84 0.00 0.00 28.75 28.22 3a1n h GLU 256 CO -0.00 0.12 0.45 0.34 -1.40 0.00 0.00 179.01 178.53 3a1n n PHE 257 N -3.25 1.84 -4.28 4.33 7.35 -0.88 -4.90 117.46 117.67 3a1n n PHE 257 Ca 0.01 0.54 -0.20 0.00 -0.76 0.00 0.00 57.45 57.04 3a1n n PHE 257 Cb 0.39 -2.38 -0.11 0.00 0.35 0.00 0.00 39.48 37.72 3a1n n PHE 257 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3a1n s GLU 258 N -0.69 1.12 -0.02 -4.13 0.41 -1.26 -4.98 118.70 109.15 3a1n s GLU 258 Ca 0.67 -1.29 -0.05 0.00 -0.41 0.00 0.00 54.97 53.89 3a1n s GLU 258 Cb -0.70 -1.11 0.01 0.00 -1.78 0.00 0.00 34.13 30.55 3a1n s GLU 258 CO 0.53 0.22 0.12 -1.50 -0.49 0.00 0.00 175.26 174.15 3a1n s ILE 259 N -1.99 0.04 0.06 -1.63 2.07 -1.26 -0.40 121.20 118.09 3a1n s ILE 259 Ca 0.11 -0.37 0.03 0.00 -1.41 0.00 0.00 60.65 59.01 3a1n s ILE 259 Cb -0.06 -0.30 -0.03 0.00 0.13 0.00 0.00 42.46 42.20 3a1n s ILE 259 CO 0.04 -0.20 -0.09 -1.83 -1.91 0.00 0.00 174.94 170.95 3a1n s GLU 260 N -0.68 0.62 -0.25 3.50 -1.05 0.82 -4.90 118.70 116.77 3a1n s GLU 260 Ca -0.08 -0.87 -0.05 0.00 -0.15 0.00 0.00 54.97 53.83 3a1n s GLU 260 Cb -0.05 -0.38 -0.00 0.00 -0.44 0.00 0.00 34.13 33.26 3a1n s GLU 260 CO 0.01 0.07 -0.00 0.71 0.95 0.00 0.00 175.26 176.99 3a1n s TYR 261 N -1.64 3.04 -0.54 4.83 1.51 -1.26 -0.36 117.35 122.92 3a1n s TYR 261 Ca -0.06 -1.00 0.06 0.00 -1.01 0.00 0.00 57.07 55.06 3a1n s TYR 261 Cb -0.08 -2.15 0.21 0.00 -0.11 0.00 0.00 41.96 39.83 3a1n s TYR 261 CO 0.00 -0.56 0.52 1.63 -1.11 0.00 0.00 175.55 176.03 3a1n n LYS 262 N 4.81 1.29 -2.01 -0.62 5.02 -0.07 -4.96 118.16 121.61 3a1n n LYS 262 Ca -0.17 -3.88 -0.39 0.00 -2.02 0.00 0.00 58.31 51.85 3a1n n LYS 262 Cb 0.50 -1.86 0.01 0.00 -0.02 0.00 0.00 35.03 33.65 3a1n n LYS 262 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3a1n s GLU 263 N -1.23 3.75 0.00 1.97 1.03 -1.25 -4.29 118.70 118.68 3a1n s GLU 263 Ca 0.33 2.14 0.00 0.00 0.03 0.00 0.00 54.97 57.47 3a1n s GLU 263 Cb 0.07 -2.60 0.00 0.00 -0.80 0.00 0.00 34.13 30.81 3a1n s GLU 263 CO -0.13 -0.66 0.00 -0.40 -1.33 0.00 0.00 175.26 172.74 3a1n n ASP 264 N -0.22 0.88 -0.09 0.83 5.68 -1.03 -4.99 116.55 117.62 3a1n n ASP 264 Ca 0.06 -0.48 0.26 0.00 -0.50 0.00 0.00 54.79 54.13 3a1n n ASP 264 Cb 0.44 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.12 3a1n n ASP 264 CO 0.00 0.00 0.00 2.19 -1.33 0.00 0.00 177.20 178.06 3a1n h PHE 265 N 0.48 0.00 0.00 2.11 -5.15 -1.96 0.20 116.94 112.61 3a1n h PHE 265 Ca 0.00 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.72 3a1n h PHE 265 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.16 3a1n h PHE 265 CO 0.00 0.00 -0.23 0.00 -2.00 0.00 0.00 178.31 176.08 3a1n h ARG 266 N 0.00 0.00 -0.01 6.09 3.08 -1.95 -1.80 114.38 119.78 3a1n h ARG 266 Ca 0.36 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.25 3a1n h ARG 266 Cb 1.74 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.77 3a1n h ARG 266 CO -0.00 0.23 -0.75 0.22 -1.07 0.00 0.00 179.97 178.59 3a1n h ASP 267 N 0.00 0.14 -0.03 7.04 3.58 -0.74 -1.65 116.42 124.76 3a1n h ASP 267 Ca -0.00 -0.10 -0.10 0.00 0.42 0.00 0.00 57.03 57.24 3a1n h ASP 267 Cb 0.55 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 3a1n h ASP 267 CO 0.03 0.84 -0.29 0.11 -2.88 0.00 0.00 179.24 177.06 3a1n h LYS 268 N 0.07 0.48 0.24 0.28 1.57 -1.38 -0.75 116.57 117.09 3a1n h LYS 268 Ca -0.02 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 3a1n h LYS 268 Cb 1.33 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3a1n h LYS 268 CO 0.11 0.72 -0.12 0.82 -0.57 0.00 0.00 179.45 180.41 3a1n h ILE 269 N 0.42 0.82 -0.38 1.86 2.04 -1.19 -3.12 117.51 117.96 3a1n h ILE 269 Ca 0.06 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.42 3a1n h ILE 269 Cb 0.72 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3a1n h ILE 269 CO 0.06 0.11 0.26 0.00 0.00 0.00 0.00 178.15 178.57 3a1n h ALA 270 N 0.08 1.81 0.00 1.87 0.00 -1.16 -2.05 119.26 119.80 3a1n h ALA 270 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3a1n h ALA 270 Cb 0.43 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3a1n h ALA 270 CO 0.05 0.15 -0.06 0.00 0.00 0.00 0.00 179.25 179.40 3a1n h ALA 271 N 1.77 1.17 -0.00 0.00 0.00 -1.07 -1.73 119.26 119.41 3a1n h ALA 271 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3a1n h ALA 271 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3a1n h ALA 271 CO -0.03 0.08 -0.12 0.25 0.00 0.00 0.00 179.25 179.43 3a1n n THR 272 N -3.41 0.00 -3.81 0.00 -2.24 -0.77 -4.89 114.28 99.16 3a1n n THR 272 Ca -0.02 -0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.53 3a1n n THR 272 Cb 0.20 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.17 3a1n n THR 272 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 3a1n s TRP 273 N -2.74 3.44 0.63 4.78 0.51 -0.65 -2.62 118.94 122.29 3a1n s TRP 273 Ca 0.21 0.05 -0.13 0.00 -2.12 0.00 0.00 56.10 54.11 3a1n s TRP 273 Cb 0.19 -1.67 -0.02 0.00 -0.81 0.00 0.00 33.47 31.16 3a1n s TRP 273 CO 0.52 0.34 1.05 -1.25 -0.51 0.00 0.00 176.95 177.10 3a1n s PRO 274 N -4.07 3.27 0.03 4.98 0.04 -1.26 -4.98 135.00 133.01 3a1n s PRO 274 Ca 0.36 1.03 -0.04 0.00 0.04 0.00 0.00 61.00 62.39 3a1n s PRO 274 Cb -0.09 -2.03 -0.28 0.00 0.04 0.00 0.00 34.50 32.13 3a1n s PRO 274 CO 0.31 -0.84 0.96 0.93 0.04 0.00 0.00 177.00 178.40 3a1n h GLU 275 N -0.05 0.27 -3.74 4.56 5.08 -0.79 -3.39 114.58 116.53 3a1n h GLU 275 Ca -0.45 -0.46 -0.15 0.00 -1.00 0.00 0.00 59.36 57.29 3a1n h GLU 275 Cb 1.21 0.17 -0.20 0.00 0.50 0.00 0.00 28.75 30.43 3a1n h GLU 275 CO 0.58 1.16 -0.58 -1.54 -1.00 0.00 0.00 179.01 177.64 3a1n s SER 276 N -7.06 0.13 0.18 1.42 1.04 -0.89 -2.11 113.70 106.41 3a1n s SER 276 Ca -0.07 -0.37 0.10 0.00 0.48 0.00 0.00 55.95 56.09 3a1n s SER 276 Cb 0.07 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 3a1n s SER 276 CO 0.87 -0.36 -0.17 -0.76 0.98 0.00 0.00 173.24 173.80 3a1n s LEU 277 N -1.51 2.71 -0.30 2.42 1.43 -1.26 -2.47 118.68 119.70 3a1n s LEU 277 Ca -0.14 -0.72 -0.10 0.00 -1.03 0.00 0.00 54.13 52.14 3a1n s LEU 277 Cb -0.08 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.70 3a1n s LEU 277 CO -0.00 0.11 0.16 -0.62 0.23 0.00 0.00 176.35 176.23 3a1n s ASP 278 N -2.73 5.63 -0.24 2.29 -1.08 0.01 -4.68 116.67 115.87 3a1n s ASP 278 Ca 0.23 -0.36 0.13 0.00 -0.52 0.00 0.00 52.55 52.03 3a1n s ASP 278 Cb -0.08 -2.03 0.58 0.00 -1.46 0.00 0.00 42.92 39.93 3a1n s ASP 278 CO 0.12 -0.14 1.53 -1.54 0.52 0.00 0.00 175.17 175.66 3a1n n SER 279 N 5.00 3.82 -0.30 -0.34 3.41 -1.26 -4.41 113.62 119.54 3a1n n SER 279 Ca -0.14 -3.25 0.04 0.00 -0.26 0.00 0.00 58.87 55.26 3a1n n SER 279 Cb 0.50 -0.62 0.19 0.00 -0.26 0.00 0.00 64.21 64.02 3a1n n SER 279 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3a1n h SER 280 N 1.85 0.65 -0.94 4.04 0.02 -1.93 -2.22 113.55 115.02 3a1n h SER 280 Ca 0.12 0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.17 3a1n h SER 280 Cb 1.73 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 64.15 3a1n h SER 280 CO 0.40 0.35 0.61 -0.33 -1.14 0.00 0.00 176.83 176.71 3a1n h GLU 281 N 0.76 1.14 -0.33 3.45 5.08 -1.90 0.39 114.58 123.17 3a1n h GLU 281 Ca 0.42 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.60 3a1n h GLU 281 Cb 0.45 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3a1n h GLU 281 CO -0.28 0.76 -0.27 0.00 -1.00 0.00 0.00 179.01 178.21 3a1n h ALA 282 N 1.39 0.90 -0.04 3.43 0.00 -1.66 -1.45 119.26 121.83 3a1n h ALA 282 Ca 0.37 -0.38 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 3a1n h ALA 282 Cb 0.01 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.68 3a1n h ALA 282 CO -0.12 0.62 -0.96 0.77 0.00 0.00 0.00 179.25 179.56 3a1n h SER 283 N 0.59 0.85 -0.34 0.00 0.02 -1.02 -2.15 113.55 111.50 3a1n h SER 283 Ca 0.08 -0.65 -0.13 0.00 -0.84 0.00 0.00 61.79 60.24 3a1n h SER 283 Cb 0.77 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 3a1n h SER 283 CO 0.06 1.45 -0.31 0.78 -1.14 0.00 0.00 176.83 177.67 3a1n h ASN 284 N 0.41 0.86 0.16 3.07 2.35 -0.18 0.14 115.58 122.40 3a1n h ASN 284 Ca -0.10 -0.46 -0.23 0.00 -0.55 0.00 0.00 56.30 54.96 3a1n h ASN 284 Cb 1.60 -0.24 0.03 0.00 0.05 0.00 0.00 38.32 39.75 3a1n h ASN 284 CO 0.19 1.15 -0.99 -0.33 -1.65 0.00 0.00 177.43 175.79 3a1n h GLU 285 N 0.59 0.38 0.00 0.81 5.08 -1.36 -3.40 114.58 116.68 3a1n h GLU 285 Ca 0.06 -0.63 -0.07 0.00 -1.00 0.00 0.00 59.36 57.72 3a1n h GLU 285 Cb 0.89 0.23 -0.15 0.00 0.50 0.00 0.00 28.75 30.22 3a1n h GLU 285 CO 0.08 1.30 -0.63 -2.67 -1.00 0.00 0.00 179.01 176.08 3a1n n TRP 286 N -4.01 0.00 -1.92 4.33 4.27 -0.86 -4.85 117.44 114.40 3a1n n TRP 286 Ca -0.14 -0.63 -0.20 0.00 -3.89 0.00 0.00 57.50 52.64 3a1n n TRP 286 Cb 0.90 -0.14 -0.05 0.00 -1.36 0.00 0.00 31.31 30.65 3a1n n TRP 286 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 3a1n n GLY 287 N -0.24 0.90 3.47 -1.67 0.00 0.50 -4.87 105.19 103.28 3a1n n GLY 287 Ca 0.08 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.65 3a1n n GLY 287 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3a1n n PHE 288 N -2.99 0.04 -3.47 1.61 7.35 -0.93 -4.84 117.46 114.23 3a1n n PHE 288 Ca -0.21 0.81 -0.14 0.00 -0.76 0.00 0.00 57.45 57.15 3a1n n PHE 288 Cb 0.66 -2.06 -0.03 0.00 0.35 0.00 0.00 39.48 38.40 3a1n n PHE 288 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3a1n s SER 289 N -0.84 -0.56 -0.06 -2.13 1.04 -1.26 -4.37 113.70 105.52 3a1n s SER 289 Ca 0.62 0.17 0.01 0.00 0.48 0.00 0.00 55.95 57.23 3a1n s SER 289 Cb -0.79 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 65.87 3a1n s SER 289 CO 0.58 -0.85 -0.08 -0.63 0.98 0.00 0.00 173.24 173.24 3a1n s ILE 290 N -2.99 3.62 0.00 -1.02 -1.09 -1.26 -4.88 121.20 113.57 3a1n s ILE 290 Ca -0.02 -0.52 0.00 0.00 -2.23 0.00 0.00 60.65 57.88 3a1n s ILE 290 Cb -0.01 -2.47 0.00 0.00 -1.58 0.00 0.00 42.46 38.40 3a1n s ILE 290 CO -0.06 0.60 0.49 -1.84 -1.23 0.00 0.00 174.94 172.90 3a1n n GLU 291 N 2.22 -0.67 -3.89 2.79 0.28 -1.26 -4.92 120.64 115.19 3a1n n GLU 291 Ca -0.18 -0.53 -0.30 0.00 -0.16 0.00 0.00 57.16 55.99 3a1n n GLU 291 Cb 0.53 -0.96 -0.15 0.00 1.43 0.00 0.00 31.44 32.29 3a1n n GLU 291 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3a1n s TYR 292 N -0.06 2.89 1.01 -1.84 1.51 -1.26 -5.08 117.35 114.51 3a1n s TYR 292 Ca 0.00 -2.60 -0.17 0.00 -1.01 0.00 0.00 57.07 53.29 3a1n s TYR 292 Cb 0.00 -2.44 0.24 0.00 -0.11 0.00 0.00 41.96 39.65 3a1n s TYR 292 CO 0.00 -0.88 1.10 -0.40 -1.11 0.00 0.00 175.55 174.26 3a1n n ASP 293 N 4.18 -1.00 0.30 2.29 5.68 -1.26 -4.71 116.55 122.04 3a1n n ASP 293 Ca 0.03 -1.27 -0.17 0.00 -0.50 0.00 0.00 54.79 52.89 3a1n n ASP 293 Cb 0.40 -0.92 -0.08 0.00 -1.14 0.00 0.00 41.12 39.38 3a1n n ASP 293 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3a1n h LEU 294 N 0.00 -0.88 -0.75 -2.12 5.85 -1.99 -1.21 115.31 114.21 3a1n h LEU 294 Ca -0.38 0.06 0.17 0.00 0.84 0.00 0.00 57.88 58.56 3a1n h LEU 294 Cb 1.11 0.27 -0.13 0.00 0.37 0.00 0.00 40.66 42.28 3a1n h LEU 294 CO 0.26 -0.53 0.01 0.44 -0.34 0.00 0.00 178.44 178.27 3a1n h ASP 295 N -0.83 -0.34 -0.42 1.25 3.45 -2.00 0.12 116.42 117.65 3a1n h ASP 295 Ca -0.06 0.19 -0.05 0.00 0.43 0.00 0.00 57.03 57.54 3a1n h ASP 295 Cb 0.69 0.34 -0.02 0.00 -0.56 0.00 0.00 39.33 39.78 3a1n h ASP 295 CO 0.05 -0.18 0.10 -0.09 -1.57 0.00 0.00 179.24 177.55 3a1n h ARG 296 N 0.10 0.74 0.01 3.56 2.43 -1.84 -2.22 114.38 117.17 3a1n h ARG 296 Ca 0.41 -0.15 -0.21 0.00 -0.81 0.00 0.00 59.98 59.21 3a1n h ARG 296 Cb 0.71 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3a1n h ARG 296 CO -0.66 0.69 -0.92 1.79 -1.51 0.00 0.00 179.97 179.36 3a1n h THR 297 N 0.72 1.46 0.35 0.20 1.35 0.36 -2.08 112.91 115.26 3a1n h THR 297 Ca 0.16 -2.58 -0.02 0.00 -0.55 0.00 0.00 66.41 63.42 3a1n h THR 297 Cb 0.30 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 3a1n h THR 297 CO 0.00 0.76 -0.17 0.40 -0.25 0.00 0.00 175.52 176.26 3a1n h ILE 298 N 0.15 0.67 -0.50 6.82 2.04 -0.63 0.86 117.51 126.92 3a1n h ILE 298 Ca -0.06 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3a1n h ILE 298 Cb 1.56 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.43 3a1n h ILE 298 CO 0.15 0.06 0.32 0.44 0.00 0.00 0.00 178.15 179.12 3a1n h ASP 299 N -0.63 0.58 -0.69 1.72 3.45 -1.49 -1.15 116.42 118.20 3a1n h ASP 299 Ca -0.05 -0.02 0.01 0.00 0.43 0.00 0.00 57.03 57.40 3a1n h ASP 299 Cb 0.46 -0.14 -0.04 0.00 -0.56 0.00 0.00 39.33 39.05 3a1n h ASP 299 CO 0.08 0.43 0.45 -0.78 -1.57 0.00 0.00 179.24 177.84 3a1n h ASP 300 N 0.67 0.77 -0.07 6.45 3.58 -1.30 -0.65 116.42 125.87 3a1n h ASP 300 Ca 0.18 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 3a1n h ASP 300 Cb -0.07 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 40.80 3a1n h ASP 300 CO -0.04 0.55 0.02 0.24 -2.88 0.00 0.00 179.24 177.13 3a1n h MET 301 N 0.91 0.10 -0.35 0.28 2.86 -0.45 -1.08 114.93 117.20 3a1n h MET 301 Ca 0.26 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.93 3a1n h MET 301 Cb -0.07 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.53 3a1n h MET 301 CO -0.07 0.27 0.05 0.82 1.06 0.00 0.00 176.91 179.04 3a1n h ILE 302 N -0.09 0.80 0.13 -1.22 2.04 -1.01 0.60 117.51 118.76 3a1n h ILE 302 Ca 0.02 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.84 3a1n h ILE 302 Cb 0.22 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 3a1n h ILE 302 CO -0.00 0.03 -0.33 -0.78 0.00 0.00 0.00 178.15 177.07 3a1n h ASP 303 N 0.16 -0.95 -0.18 1.72 -0.00 -0.99 0.21 116.42 116.40 3a1n h ASP 303 Ca 0.17 0.11 -0.12 0.00 -0.00 0.00 0.00 57.03 57.19 3a1n h ASP 303 Cb 0.20 0.36 -0.01 0.00 -0.00 0.00 0.00 39.33 39.88 3a1n h ASP 303 CO -0.24 -0.42 -0.28 0.45 -0.00 0.00 0.00 179.24 178.76 3a1n h HIS 304 N -0.56 0.75 -0.04 0.28 3.86 -0.83 -2.53 115.15 116.07 3a1n h HIS 304 Ca 0.03 -0.18 -0.17 0.00 -1.16 0.00 0.00 60.37 58.89 3a1n h HIS 304 Cb 0.59 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 3a1n h HIS 304 CO -0.29 0.87 -0.71 0.82 0.86 0.00 0.00 177.93 179.48 3a1n h ILE 305 N 0.57 1.42 -0.07 2.45 1.08 0.37 -2.91 117.51 120.43 3a1n h ILE 305 Ca 0.07 -2.22 -0.08 0.00 -0.39 0.00 0.00 64.86 62.24 3a1n h ILE 305 Cb 0.77 2.18 0.00 0.00 -3.07 0.00 0.00 36.82 36.70 3a1n h ILE 305 CO 0.06 0.65 -0.27 0.77 -0.69 0.00 0.00 178.15 178.67 3a1n h SER 306 N 0.16 0.35 0.08 1.72 4.64 -0.94 -3.05 113.55 116.51 3a1n h SER 306 Ca -0.02 -0.64 -0.01 0.00 -0.47 0.00 0.00 61.79 60.65 3a1n h SER 306 Cb 1.27 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3a1n h SER 306 CO 0.11 0.93 -0.03 -0.08 -0.87 0.00 0.00 176.83 176.90 3a1n h GLU 307 N -0.21 0.00 -0.45 4.77 4.81 -1.50 -2.11 114.58 119.90 3a1n h GLU 307 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3a1n h GLU 307 Cb 0.92 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.30 3a1n h GLU 307 CO 0.06 0.03 0.00 0.36 -0.73 0.00 0.00 179.01 178.72 3a1n n LYS 308 N -3.74 3.48 0.00 1.92 2.85 -1.10 -5.11 118.16 116.46 3a1n n LYS 308 Ca -0.03 -2.76 0.00 0.00 -1.05 0.00 0.00 58.31 54.47 3a1n n LYS 308 Cb 0.11 -1.81 0.00 0.00 -0.65 0.00 0.00 35.03 32.68 3a1n n LYS 308 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24