#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 3.02 -0.19 1.12 1.01 0.16 -0.78 121.20 125.53 3a1n s ILE 2 Ca 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 3a1n s ILE 2 Cb 0.00 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 3a1n s ILE 2 CO 0.00 0.55 -0.04 -0.22 0.00 0.00 0.00 174.94 175.23 3a1n s LEU 3 N 0.01 3.07 -0.18 2.97 2.96 -0.23 0.07 118.68 127.35 3a1n s LEU 3 Ca -0.04 -0.27 -0.04 0.00 -0.22 0.00 0.00 54.13 53.57 3a1n s LEU 3 Cb -0.14 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 3a1n s LEU 3 CO 0.04 0.07 -0.04 0.54 -1.32 0.00 0.00 176.35 175.64 3a1n s VAL 4 N 0.96 3.71 -0.03 1.68 0.11 0.53 -1.12 120.40 126.24 3a1n s VAL 4 Ca 0.00 -0.41 -0.11 0.00 -2.93 0.00 0.00 61.98 58.53 3a1n s VAL 4 Cb -0.15 -2.64 -0.05 0.00 -1.53 0.00 0.00 36.38 32.01 3a1n s VAL 4 CO 0.01 0.47 0.32 -0.89 -3.33 0.00 0.00 175.10 171.67 3a1n s THR 5 N 0.74 5.20 -1.19 5.04 2.01 -0.29 -0.84 115.64 126.32 3a1n s THR 5 Ca -0.02 0.57 -0.07 0.00 0.31 0.00 0.00 61.69 62.48 3a1n s THR 5 Cb -0.15 -3.60 0.01 0.00 0.01 0.00 0.00 72.50 68.77 3a1n s THR 5 CO 0.02 0.55 1.03 0.61 -0.69 0.00 0.00 174.62 176.14 3a1n n GLY 6 N 1.72 -0.37 0.22 4.40 0.00 -0.62 -1.67 105.19 108.88 3a1n n GLY 6 Ca -0.15 0.14 0.16 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.29 0.00 -0.17 1.61 4.64 -1.06 -3.11 113.55 113.17 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 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3a1n h SER 7 CO 0.49 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.25 3a1n n SER 8 N -2.70 1.41 -4.42 4.97 7.64 -1.26 -0.99 113.62 118.26 3a1n n SER 8 Ca 0.00 -1.72 -0.26 0.00 1.01 0.00 0.00 58.87 57.90 3a1n n SER 8 Cb 0.22 -0.11 0.14 0.00 -1.01 0.00 0.00 64.21 63.45 3a1n n SER 8 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3a1n s GLY 9 N -1.46 1.77 0.19 0.23 0.00 -1.17 -4.62 107.32 102.26 3a1n s GLY 9 Ca 0.29 -1.52 -0.19 0.00 0.00 0.00 0.00 44.72 43.30 3a1n s GLY 9 CO 0.23 -0.86 1.61 -1.61 0.00 0.00 0.00 173.10 172.47 3a1n h GLN 10 N -1.03 -0.13 -0.10 2.90 4.15 -1.90 0.26 115.11 119.26 3a1n h GLN 10 Ca -0.40 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 58.99 3a1n h GLN 10 Cb 1.25 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.97 3a1n h GLN 10 CO 0.39 -0.09 -0.13 0.82 -1.93 0.00 0.00 178.83 177.89 3a1n h ILE 11 N -0.14 1.37 -0.40 2.39 2.04 -1.93 -3.33 117.51 117.52 3a1n h ILE 11 Ca 0.23 -1.33 0.03 0.00 1.00 0.00 0.00 64.86 64.80 3a1n h ILE 11 Cb 0.51 2.03 -0.04 0.00 -0.74 0.00 0.00 36.82 38.58 3a1n h ILE 11 CO -0.61 0.38 0.19 1.23 0.00 0.00 0.00 178.15 179.34 3a1n h GLY 12 N -0.17 0.54 2.00 5.37 0.00 -1.55 0.40 103.07 109.67 3a1n h GLY 12 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3a1n h GLY 12 CO 0.03 0.09 0.00 0.00 0.00 0.00 0.00 176.54 176.66 3a1n h THR 13 N 0.39 0.00 0.00 4.70 1.03 0.13 -2.02 112.91 117.14 3a1n h THR 13 Ca 0.17 -0.07 -0.06 0.00 -0.01 0.00 0.00 66.41 66.44 3a1n h THR 13 Cb 0.09 1.04 -0.01 0.00 -1.07 0.00 0.00 68.15 68.20 3a1n h THR 13 CO -0.13 0.00 -1.69 -0.62 -0.01 0.00 0.00 175.52 173.07 3a1n n GLU 14 N -3.02 0.80 -0.02 0.00 1.02 -0.94 -4.52 120.64 113.96 3a1n n GLU 14 Ca -0.02 -0.10 -0.14 0.00 -0.02 0.00 0.00 57.16 56.88 3a1n n GLU 14 Cb 0.10 -1.33 -0.02 0.00 -0.02 0.00 0.00 31.44 30.18 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 0.80 0.30 -4.62 5.85 0.30 -2.89 115.31 115.05 3a1n h LEU 15 Ca -0.09 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.15 3a1n h LEU 15 Cb 0.93 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 3a1n h LEU 15 CO 0.00 1.25 -0.29 0.58 -0.34 0.00 0.00 178.44 179.65 3a1n h VAL 16 N 0.50 0.39 -0.58 1.05 2.07 -1.62 0.11 116.25 118.18 3a1n h VAL 16 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3a1n h VAL 16 Cb 1.26 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 3a1n h VAL 16 CO 0.13 0.00 0.31 -0.65 0.02 0.00 0.00 177.57 177.38 3a1n h PRO 17 N -0.62 0.79 -0.04 1.57 0.11 -1.79 0.49 132.00 132.50 3a1n h PRO 17 Ca -0.01 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 3a1n h PRO 17 Cb 0.56 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 3a1n h PRO 17 CO -0.05 0.59 0.02 -0.92 -0.21 0.00 0.00 178.00 177.43 3a1n h TYR 18 N 0.80 0.06 -0.63 0.65 3.20 -1.24 -0.81 116.97 119.00 3a1n h TYR 18 Ca 0.21 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 3a1n h TYR 18 Cb 0.03 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3a1n h TYR 18 CO 0.00 0.11 0.13 -0.07 -1.64 0.00 0.00 178.16 176.70 3a1n h LEU 19 N -0.02 0.98 -0.67 2.82 4.07 -0.38 -2.36 115.31 119.74 3a1n h LEU 19 Ca 0.01 -0.25 -0.01 0.00 0.08 0.00 0.00 57.88 57.72 3a1n h LEU 19 Cb 0.08 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.52 3a1n h LEU 19 CO -0.00 0.98 0.38 0.00 -1.08 0.00 0.00 178.44 178.72 3a1n h ALA 20 N 1.04 0.86 0.00 1.53 0.00 -0.73 0.59 119.26 122.54 3a1n h ALA 20 Ca 0.20 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3a1n h ALA 20 Cb 0.39 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3a1n h ALA 20 CO 0.01 0.36 -0.24 1.49 0.00 0.00 0.00 179.25 180.87 3a1n h GLU 21 N 0.92 0.00 0.09 0.00 4.81 -0.94 0.77 114.58 120.22 3a1n h GLU 21 Ca 0.24 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.15 3a1n h GLU 21 Cb 0.01 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3a1n h GLU 21 CO -0.04 0.24 -1.71 -0.22 -0.73 0.00 0.00 179.01 176.55 3a1n h LYS 22 N 0.00 0.19 0.00 1.92 3.64 -0.84 -3.41 116.57 118.07 3a1n h LYS 22 Ca -0.00 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 3a1n h LYS 22 Cb 0.62 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3a1n h LYS 22 CO 0.03 0.98 0.00 0.66 -2.27 0.00 0.00 179.45 178.85 3a1n n TYR 23 N -3.35 0.00 0.00 1.91 4.02 0.13 -5.10 117.16 114.76 3a1n n TYR 23 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.68 3a1n n TYR 23 Cb 1.05 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.37 3a1n n TYR 23 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3a1n n GLY 24 N 0.24 1.90 0.42 2.72 0.00 0.27 -4.52 105.19 106.22 3a1n n GLY 24 Ca 0.00 -1.44 0.22 0.00 0.00 0.00 0.00 46.02 44.80 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 0.14 0.00 1.61 1.79 -1.88 -0.98 116.57 117.25 3a1n h LYS 25 Ca 0.00 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 3a1n h LYS 25 Cb 0.00 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.61 3a1n h LYS 25 CO 0.00 0.09 -0.13 -0.22 -1.08 0.00 0.00 179.45 178.11 3a1n h LYS 26 N 0.15 0.00 -0.70 3.15 3.64 -1.91 -3.04 116.57 117.85 3a1n h LYS 26 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3a1n h LYS 26 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3a1n h LYS 26 CO -0.06 0.13 0.00 0.09 -2.27 0.00 0.00 179.45 177.35 3a1n n ASN 27 N -3.29 4.24 -4.09 4.20 3.02 -0.37 -4.90 115.26 114.08 3a1n n ASN 27 Ca 0.00 -2.18 -0.27 0.00 -0.03 0.00 0.00 54.58 52.10 3a1n n ASN 27 Cb 0.38 -0.53 -0.17 0.00 -0.61 0.00 0.00 39.78 38.85 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 -1.36 1.46 -0.17 2.41 1.01 -1.15 0.35 120.40 122.96 3a1n s VAL 28 Ca 0.50 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3a1n s VAL 28 Cb 0.28 -1.30 0.02 0.00 0.00 0.00 0.00 36.38 35.38 3a1n s VAL 28 CO 0.30 0.43 -0.20 -0.63 0.00 0.00 0.00 175.10 175.00 3a1n s ILE 29 N 0.62 1.99 0.10 2.22 -1.09 0.11 -4.10 121.20 121.05 3a1n s ILE 29 Ca -0.15 -0.91 -0.07 0.00 -2.23 0.00 0.00 60.65 57.29 3a1n s ILE 29 Cb -0.16 -1.80 -0.06 0.00 -1.58 0.00 0.00 42.46 38.87 3a1n s ILE 29 CO 0.04 0.53 0.37 0.00 -1.23 0.00 0.00 174.94 174.66 3a1n s ALA 30 N 1.20 3.77 0.02 9.38 0.00 0.16 -0.34 121.76 135.95 3a1n s ALA 30 Ca 0.02 -0.48 -0.15 0.00 0.00 0.00 0.00 51.96 51.35 3a1n s ALA 30 Cb -0.14 -2.19 0.02 0.00 0.00 0.00 0.00 23.12 20.82 3a1n s ALA 30 CO -0.10 0.62 0.33 -1.54 0.00 0.00 0.00 175.76 175.07 3a1n s SER 31 N -2.02 -0.18 -0.04 0.00 1.04 -0.02 -1.11 113.70 111.36 3a1n s SER 31 Ca 0.36 -0.05 -0.31 0.00 0.48 0.00 0.00 55.95 56.42 3a1n s SER 31 Cb -0.13 0.36 0.13 0.00 0.10 0.00 0.00 66.02 66.47 3a1n s SER 31 CO 0.20 -0.57 1.34 -0.62 0.98 0.00 0.00 173.24 174.57 3a1n s ASP 32 N -1.81 -0.03 0.02 7.02 -1.08 -1.13 -0.63 116.67 119.04 3a1n s ASP 32 Ca -0.08 -0.10 0.24 0.00 -0.52 0.00 0.00 52.55 52.09 3a1n s ASP 32 Cb -0.02 0.10 0.33 0.00 -1.46 0.00 0.00 42.92 41.88 3a1n s ASP 32 CO -0.00 -0.20 1.29 2.30 0.52 0.00 0.00 175.17 179.07 3a1n n ILE 33 N -0.58 0.07 -4.04 4.11 -5.35 -1.25 -1.17 119.36 111.15 3a1n n ILE 33 Ca -0.07 -0.07 -0.31 0.00 -0.27 0.00 0.00 62.75 62.03 3a1n n ILE 33 Cb 0.62 0.27 -0.16 0.00 -1.74 0.00 0.00 39.64 38.64 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 -3.05 1.75 0.16 7.28 1.01 -1.26 -4.95 120.40 121.33 3a1n s VAL 34 Ca 0.09 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 60.96 3a1n s VAL 34 Cb 0.16 -1.68 -0.08 0.00 0.00 0.00 0.00 36.38 34.79 3a1n s VAL 34 CO 0.74 0.39 0.78 -1.58 0.00 0.00 0.00 175.10 175.42 3a1n s GLN 35 N 1.39 4.56 0.04 2.72 0.74 -1.26 -4.63 119.66 123.22 3a1n s GLN 35 Ca 0.03 1.15 -0.01 0.00 0.05 0.00 0.00 55.36 56.58 3a1n s GLN 35 Cb -0.14 -3.27 -0.03 0.00 1.10 0.00 0.00 33.01 30.67 3a1n s GLN 35 CO -0.10 0.55 -0.02 1.03 -0.55 0.00 0.00 175.29 176.19 3a1n s ARG 36 N -1.06 0.47 0.12 1.67 1.81 -1.26 -5.11 118.95 115.59 3a1n s ARG 36 Ca 0.36 -0.90 -0.35 0.00 -1.72 0.00 0.00 55.73 53.12 3a1n s ARG 36 Cb -0.23 0.17 -0.15 0.00 -0.45 0.00 0.00 34.95 34.29 3a1n s ARG 36 CO 0.26 -0.09 1.53 -3.47 -0.68 0.00 0.00 175.30 172.86 3a1n n ASP 37 N 0.84 2.71 -0.14 0.23 -0.08 -1.26 -4.87 116.55 113.99 3a1n n ASP 37 Ca -0.19 1.09 0.03 0.00 -1.51 0.00 0.00 54.79 54.21 3a1n n ASP 37 Cb 0.58 -1.35 -0.00 0.00 2.34 0.00 0.00 41.12 42.68 3a1n n ASP 37 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 3a1n n THR 38 N 3.30 0.00 -2.94 5.18 -1.04 -1.26 -5.05 114.28 112.47 3a1n n THR 38 Ca 0.18 -0.42 -0.12 0.00 -2.04 0.00 0.00 64.05 61.64 3a1n n THR 38 Cb 0.26 1.07 0.06 0.00 -1.82 0.00 0.00 70.33 69.90 3a1n n THR 38 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3a1n n GLY 39 N 0.79 -0.43 0.40 3.41 0.00 -1.26 -3.77 105.19 104.33 3a1n n GLY 39 Ca 0.03 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.20 2.94 3.75 -0.02 0.00 -1.26 -5.04 105.19 104.35 3a1n n GLY 40 Ca -0.13 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 3a1n n GLY 40 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1n s ILE 41 N -2.29 3.24 0.25 -0.61 1.09 -1.25 -4.95 121.20 116.68 3a1n s ILE 41 Ca 0.00 1.10 -0.31 0.00 -1.10 0.00 0.00 60.65 60.33 3a1n s ILE 41 Cb 0.00 -3.70 -0.12 0.00 -1.06 0.00 0.00 42.46 37.58 3a1n s ILE 41 CO 0.00 0.20 1.62 1.17 -0.10 0.00 0.00 174.94 177.83 3a1n n LYS 42 N 2.04 2.63 -5.03 2.79 3.00 -1.26 -4.78 118.16 117.55 3a1n n LYS 42 Ca 0.03 0.94 -0.28 0.00 -0.00 0.00 0.00 58.31 59.00 3a1n n LYS 42 Cb 0.43 -2.73 -0.16 0.00 0.00 0.00 0.00 35.03 32.57 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 0.45 1.99 0.05 5.64 5.36 -1.26 -0.67 117.98 129.53 3a1n s PHE 43 Ca 0.69 -0.52 0.04 0.00 -0.96 0.00 0.00 56.93 56.18 3a1n s PHE 43 Cb -0.53 -1.31 -0.02 0.00 -0.34 0.00 0.00 43.02 40.82 3a1n s PHE 43 CO 0.42 -0.14 -0.11 0.96 -1.46 0.00 0.00 175.22 174.89 3a1n s ILE 44 N -0.19 0.84 -0.13 3.12 -4.36 -0.27 -4.98 121.20 115.23 3a1n s ILE 44 Ca -0.00 -1.05 -0.29 0.00 -0.26 0.00 0.00 60.65 59.05 3a1n s ILE 44 Cb -0.11 -0.82 -0.01 0.00 1.25 0.00 0.00 42.46 42.77 3a1n s ILE 44 CO 0.02 -0.19 1.00 -0.89 0.24 0.00 0.00 174.94 175.11 3a1n s THR 45 N -1.10 4.77 -0.14 8.37 2.01 -1.26 -2.84 115.64 125.45 3a1n s THR 45 Ca -0.04 2.00 -0.04 0.00 0.31 0.00 0.00 61.69 63.93 3a1n s THR 45 Cb -0.09 -4.30 0.07 0.00 0.01 0.00 0.00 72.50 68.19 3a1n s THR 45 CO 0.01 -0.03 0.18 -0.22 -0.69 0.00 0.00 174.62 173.87 3a1n s LEU 46 N 2.24 -0.04 -0.46 4.42 2.96 -0.31 -4.87 118.68 122.62 3a1n s LEU 46 Ca 0.47 0.02 -0.18 0.00 -0.22 0.00 0.00 54.13 54.21 3a1n s LEU 46 Cb -0.17 0.27 0.04 0.00 0.50 0.00 0.00 46.19 46.82 3a1n s LEU 46 CO 0.15 -0.29 0.52 -0.62 -1.32 0.00 0.00 176.35 174.79 3a1n s ASP 47 N 2.29 6.21 0.38 3.68 2.15 -1.26 -3.92 116.67 126.21 3a1n s ASP 47 Ca 0.04 -0.79 0.27 0.00 0.43 0.00 0.00 52.55 52.50 3a1n s ASP 47 Cb -0.14 -2.25 1.37 0.00 -0.30 0.00 0.00 42.92 41.60 3a1n s ASP 47 CO -0.09 -0.71 1.82 0.58 -0.17 0.00 0.00 175.17 176.60 3a1n h VAL 48 N 5.79 0.00 0.00 1.11 2.07 -1.95 -0.79 116.25 122.49 3a1n h VAL 48 Ca -0.27 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3a1n h VAL 48 Cb 1.10 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3a1n h VAL 48 CO 0.87 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.92 3a1n n SER 49 N -2.45 0.00 -4.13 0.57 3.41 -1.26 -4.35 113.62 105.40 3a1n n SER 49 Ca -0.01 -0.38 -0.38 0.00 -0.26 0.00 0.00 58.87 57.85 3a1n n SER 49 Cb 0.10 -0.20 -0.10 0.00 -0.26 0.00 0.00 64.21 63.75 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 -2.41 5.39 0.37 4.04 3.84 -0.30 -4.94 114.94 120.93 3a1n s ASN 50 Ca 0.33 -2.40 0.12 0.00 0.21 0.00 0.00 52.86 51.13 3a1n s ASN 50 Cb 0.20 -1.89 0.91 0.00 -0.55 0.00 0.00 41.25 39.93 3a1n s ASN 50 CO 0.42 -0.49 1.83 -0.09 -2.79 0.00 0.00 177.10 175.98 3a1n h ARG 51 N 7.66 0.57 -0.60 0.43 9.65 -1.82 -1.23 114.38 129.04 3a1n h ARG 51 Ca -0.08 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 3a1n h ARG 51 Cb 1.01 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.43 3a1n h ARG 51 CO 0.73 0.38 0.40 0.22 2.80 0.00 0.00 179.97 184.50 3a1n h ASP 52 N 0.59 0.70 -0.64 -3.80 -0.00 -1.93 -2.17 116.42 109.16 3a1n h ASP 52 Ca 0.50 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.03 57.50 3a1n h ASP 52 Cb 0.99 -0.17 -0.03 0.00 -0.00 0.00 0.00 39.33 40.12 3a1n h ASP 52 CO -0.25 0.51 0.36 -0.33 -0.00 0.00 0.00 179.24 179.54 3a1n h GLU 53 N 0.82 0.90 -0.09 0.28 5.08 -1.53 -2.13 114.58 117.92 3a1n h GLU 53 Ca 0.22 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3a1n h GLU 53 Cb -0.09 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 3a1n h GLU 53 CO -0.05 0.66 0.01 0.82 -1.00 0.00 0.00 179.01 179.45 3a1n h ILE 54 N 0.91 1.22 -1.00 3.13 1.08 -1.31 -2.07 117.51 119.48 3a1n h ILE 54 Ca 0.23 -0.70 0.09 0.00 -0.39 0.00 0.00 64.86 64.10 3a1n h ILE 54 Cb 0.02 1.52 -0.08 0.00 -3.07 0.00 0.00 36.82 35.21 3a1n h ILE 54 CO -0.04 0.20 0.64 0.44 -0.69 0.00 0.00 178.15 178.70 3a1n h ASP 55 N -0.10 0.98 -0.39 1.72 3.32 -1.10 -0.59 116.42 120.26 3a1n h ASP 55 Ca 0.03 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 3a1n h ASP 55 Cb 0.30 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3a1n h ASP 55 CO 0.00 0.58 -0.08 0.03 -1.72 0.00 0.00 179.24 178.04 3a1n h ARG 56 N 1.08 0.74 -0.37 3.56 3.08 -1.23 -0.17 114.38 121.07 3a1n h ARG 56 Ca 0.47 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 3a1n h ARG 56 Cb 0.33 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3a1n h ARG 56 CO -0.22 0.88 -0.03 0.00 -1.07 0.00 0.00 179.97 179.53 3a1n h ALA 57 N 0.84 0.51 -0.58 0.04 0.00 -0.81 -1.24 119.26 118.03 3a1n h ALA 57 Ca 0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3a1n h ALA 57 Cb 0.60 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3a1n h ALA 57 CO 0.04 0.31 0.22 0.28 0.00 0.00 0.00 179.25 180.09 3a1n h VAL 58 N 0.49 1.23 0.79 0.00 2.07 -1.08 -2.38 116.25 117.38 3a1n h VAL 58 Ca 0.10 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 3a1n h VAL 58 Cb 0.51 0.63 0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3a1n h VAL 58 CO 0.03 0.28 -0.38 -0.08 0.02 0.00 0.00 177.57 177.44 3a1n h GLU 59 N 0.80 -1.03 -0.85 1.57 4.81 -0.89 -1.75 114.58 117.25 3a1n h GLU 59 Ca 0.19 0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.56 3a1n h GLU 59 Cb 0.22 0.23 -0.06 0.00 0.63 0.00 0.00 28.75 29.77 3a1n h GLU 59 CO -0.01 -0.67 0.52 -0.22 -0.73 0.00 0.00 179.01 177.89 3a1n h LYS 60 N -1.20 0.89 -0.66 1.92 3.64 -1.25 -2.69 116.57 117.22 3a1n h LYS 60 Ca -0.11 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3a1n h LYS 60 Cb 0.83 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3a1n h LYS 60 CO 0.18 0.59 0.00 0.66 -2.27 0.00 0.00 179.45 178.61 3a1n n TYR 61 N -4.66 1.09 -4.14 1.91 4.01 -0.90 -4.95 117.16 109.52 3a1n n TYR 61 Ca 0.13 -0.49 -0.29 0.00 -0.16 0.00 0.00 57.90 57.09 3a1n n TYR 61 Cb 0.21 -0.09 -0.05 0.00 -0.31 0.00 0.00 39.34 39.09 3a1n n TYR 61 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3a1n n SER 62 N 1.29 -0.13 -4.69 7.72 7.64 -0.70 -4.79 113.62 119.96 3a1n n SER 62 Ca 0.23 -1.12 -0.45 0.00 1.01 0.00 0.00 58.87 58.54 3a1n n SER 62 Cb 0.67 -2.41 -0.04 0.00 -1.01 0.00 0.00 64.21 61.43 3a1n n SER 62 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3a1n n ILE 63 N -4.46 0.05 0.14 0.44 2.08 -0.93 -4.66 119.36 112.02 3a1n n ILE 63 Ca -0.27 -0.01 0.07 0.00 0.56 0.00 0.00 62.75 63.11 3a1n n ILE 63 Cb 0.67 -1.72 -0.11 0.00 -0.75 0.00 0.00 39.64 37.73 3a1n n ILE 63 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3a1n n ASP 64 N 3.84 1.37 -3.73 4.38 8.00 0.04 -4.24 116.55 126.20 3a1n n ASP 64 Ca 0.17 -0.18 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 3a1n n ASP 64 Cb 0.31 1.55 -0.09 0.00 -0.02 0.00 0.00 41.12 42.87 3a1n n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a1n s ALA 65 N -2.91 -0.92 -0.08 2.24 0.00 -1.01 -1.44 121.76 117.64 3a1n s ALA 65 Ca -0.03 0.65 0.01 0.00 0.00 0.00 0.00 51.96 52.58 3a1n s ALA 65 Cb 0.10 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.09 3a1n s ALA 65 CO 0.62 -0.25 -0.08 0.42 0.00 0.00 0.00 175.76 176.48 3a1n s ILE 66 N -0.84 0.93 -0.53 0.00 1.01 -0.01 -1.07 121.20 120.68 3a1n s ILE 66 Ca -0.09 -0.30 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 3a1n s ILE 66 Cb -0.04 -0.92 0.13 0.00 0.01 0.00 0.00 42.46 41.64 3a1n s ILE 66 CO 0.04 0.33 0.44 -0.36 0.00 0.00 0.00 174.94 175.39 3a1n s PHE 67 N 1.23 3.39 -0.77 3.97 0.40 -0.28 0.77 117.98 126.69 3a1n s PHE 67 Ca -0.05 -1.70 -0.22 0.00 -0.60 0.00 0.00 56.93 54.36 3a1n s PHE 67 Cb -0.14 -3.63 0.08 0.00 0.51 0.00 0.00 43.02 39.85 3a1n s PHE 67 CO -0.02 -1.00 1.06 -1.58 0.70 0.00 0.00 175.22 174.38 3a1n s HIS 68 N 1.29 2.77 -0.22 0.36 2.46 -0.27 -1.13 115.29 120.55 3a1n s HIS 68 Ca 0.06 -0.80 0.17 0.00 0.47 0.00 0.00 55.06 54.96 3a1n s HIS 68 Cb -0.26 -4.34 -0.24 0.00 -0.13 0.00 0.00 32.58 27.61 3a1n s HIS 68 CO -0.00 -1.65 0.46 1.28 -2.47 0.00 0.00 174.74 172.36 3a1n n LEU 69 N 7.54 0.20 -4.67 8.88 4.32 -0.67 -4.10 117.00 128.50 3a1n n LEU 69 Ca 0.07 -0.13 -0.44 0.00 -0.02 0.00 0.00 56.01 55.49 3a1n n LEU 69 Cb 0.47 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.25 3a1n n LEU 69 CO 0.61 0.05 1.00 0.00 -1.22 0.00 0.00 177.39 177.83 3a1n n ALA 70 N -1.91 1.15 0.00 -1.18 0.00 -0.96 -4.71 120.51 112.90 3a1n n ALA 70 Ca -0.01 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3a1n n ALA 70 Cb 0.40 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.57 3a1n n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1n n GLY 71 N 1.98 1.67 3.64 0.00 0.00 -1.26 -4.83 105.19 106.39 3a1n n GLY 71 Ca 0.11 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 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 4.88 1.03 -0.61 -1.09 -1.26 -5.02 121.20 117.12 3a1n s ILE 72 Ca 0.00 0.00 -0.17 0.00 -2.23 0.00 0.00 60.65 58.25 3a1n s ILE 72 Cb 0.00 -3.21 0.23 0.00 -1.58 0.00 0.00 42.46 37.90 3a1n s ILE 72 CO 0.00 0.45 1.29 -0.76 -1.23 0.00 0.00 174.94 174.69 3a1n s LEU 73 N 0.43 2.28 0.12 2.97 2.01 -1.26 -4.70 118.68 120.54 3a1n s LEU 73 Ca 0.04 0.30 -0.29 0.00 0.01 0.00 0.00 54.13 54.19 3a1n s LEU 73 Cb -0.12 -2.24 -0.07 0.00 0.01 0.00 0.00 46.19 43.76 3a1n s LEU 73 CO 0.00 -3.10 1.59 0.77 1.01 0.00 0.00 176.35 176.62 3a1n h SER 74 N -1.89 -1.25 0.43 2.29 4.64 -1.97 0.39 113.55 116.20 3a1n h SER 74 Ca -0.44 0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 61.01 3a1n h SER 74 Cb 1.24 0.50 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 3a1n h SER 74 CO 0.35 -0.44 -0.21 0.00 -0.87 0.00 0.00 176.83 175.66 3a1n h ALA 75 N 0.05 -0.58 -0.63 5.18 0.00 -1.92 -2.36 119.26 119.00 3a1n h ALA 75 Ca 0.06 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.83 3a1n h ALA 75 Cb 0.63 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 3a1n h ALA 75 CO -0.33 -0.69 0.42 -0.22 0.00 0.00 0.00 179.25 178.42 3a1n h LYS 76 N -0.85 0.69 -0.24 0.00 3.64 -1.84 -1.36 116.57 116.61 3a1n h LYS 76 Ca -0.06 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 3a1n h LYS 76 Cb 0.56 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3a1n h LYS 76 CO 0.10 0.46 0.08 0.78 -2.27 0.00 0.00 179.45 178.60 3a1n h GLY 77 N 0.71 0.36 2.00 5.01 0.00 -0.05 -2.21 103.07 108.88 3a1n h GLY 77 Ca 0.26 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 3a1n h GLY 77 CO -0.07 0.15 -0.33 0.83 0.00 0.00 0.00 176.54 177.12 3a1n h GLU 78 N 0.33 0.00 0.00 4.80 4.39 -0.70 -0.76 114.58 122.64 3a1n h GLU 78 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3a1n h GLU 78 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3a1n h GLU 78 CO -0.01 0.33 -0.34 0.87 -1.16 0.00 0.00 179.01 178.70 3a1n h LYS 79 N 0.00 0.00 -0.54 2.33 1.57 -1.26 -3.39 116.57 115.28 3a1n h LYS 79 Ca -0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 3a1n h LYS 79 Cb 1.14 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.24 3a1n h LYS 79 CO 0.04 0.00 -0.66 -3.47 -0.57 0.00 0.00 179.45 174.80 3a1n n ASP 80 N -2.25 -2.02 0.12 0.86 -0.08 -0.95 -5.01 116.55 107.21 3a1n n ASP 80 Ca 0.04 -3.18 0.10 0.00 -1.51 0.00 0.00 54.79 50.24 3a1n n ASP 80 Cb 0.45 1.18 0.58 0.00 2.34 0.00 0.00 41.12 45.67 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 3.90 0.17 -0.60 -0.67 0.13 -1.35 -1.50 132.00 132.09 3a1n h PRO 81 Ca -0.09 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.95 3a1n h PRO 81 Cb 1.00 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.06 3a1n h PRO 81 CO 0.35 0.11 0.06 0.00 -0.23 0.00 0.00 178.00 178.30 3a1n h ALA 82 N 1.86 0.98 -0.29 -0.56 0.00 -1.95 0.22 119.26 119.52 3a1n h ALA 82 Ca 0.11 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 3a1n h ALA 82 Cb 0.23 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3a1n h ALA 82 CO -0.02 0.64 -0.44 1.25 0.00 0.00 0.00 179.25 180.67 3a1n h LEU 83 N 0.93 0.89 0.09 0.00 5.85 -1.68 -2.19 115.31 119.20 3a1n h LEU 83 Ca 0.18 -0.52 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 3a1n h LEU 83 Cb 0.45 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3a1n h LEU 83 CO 0.02 1.23 -0.04 0.00 -0.34 0.00 0.00 178.44 179.30 3a1n h ALA 84 N 0.68 -0.12 -0.45 1.25 0.00 -0.95 -1.77 119.26 117.91 3a1n h ALA 84 Ca 0.03 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3a1n h ALA 84 Cb 1.04 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 3a1n h ALA 84 CO 0.10 -0.56 0.15 -0.92 0.00 0.00 0.00 179.25 178.02 3a1n h TYR 85 N -0.14 0.26 -0.24 0.00 5.03 -0.54 -0.90 116.97 120.45 3a1n h TYR 85 Ca -0.01 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.32 3a1n h TYR 85 Cb 0.11 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.32 3a1n h TYR 85 CO -0.07 0.09 0.13 -0.22 -1.32 0.00 0.00 178.16 176.77 3a1n h LYS 86 N 0.31 0.33 -0.01 1.82 3.64 -1.20 -1.54 116.57 119.92 3a1n h LYS 86 Ca 0.21 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 3a1n h LYS 86 Cb 0.22 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3a1n h LYS 86 CO -0.22 0.29 -0.25 -0.39 -2.27 0.00 0.00 179.45 176.61 3a1n h VAL 87 N 0.28 1.52 -0.02 2.00 -1.51 -1.17 -3.04 116.25 114.32 3a1n h VAL 87 Ca 0.08 -1.88 -0.01 0.00 -1.23 0.00 0.00 66.70 63.66 3a1n h VAL 87 Cb 0.05 2.68 0.00 0.00 -2.13 0.00 0.00 31.29 31.89 3a1n h VAL 87 CO -0.01 0.52 -0.04 0.78 -1.23 0.00 0.00 177.57 177.58 3a1n h ASN 88 N -0.46 0.08 0.17 4.19 2.35 -1.25 -2.03 115.58 118.63 3a1n h ASN 88 Ca -0.03 -0.55 -0.01 0.00 -0.55 0.00 0.00 56.30 55.16 3a1n h ASN 88 Cb 0.98 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.33 3a1n h ASN 88 CO 0.05 0.62 -0.08 -0.03 -1.65 0.00 0.00 177.43 176.33 3a1n h MET 89 N -0.46 -0.22 0.00 0.81 4.05 -1.42 -2.41 114.93 115.27 3a1n h MET 89 Ca 0.00 0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.38 3a1n h MET 89 Cb 0.60 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 3a1n h MET 89 CO 0.01 -0.15 -0.27 -0.91 0.23 0.00 0.00 176.91 175.82 3a1n h ASN 90 N -0.51 0.00 -0.45 1.39 2.35 -1.57 -1.93 115.58 114.86 3a1n h ASN 90 Ca -0.02 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.61 3a1n h ASN 90 Cb 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 3a1n h ASN 90 CO 0.04 0.27 -0.18 1.23 -1.65 0.00 0.00 177.43 177.14 3a1n h GLY 91 N 2.05 0.99 1.37 2.83 0.00 -1.25 0.17 103.07 109.23 3a1n h GLY 91 Ca -0.00 -0.86 -0.17 0.00 0.00 0.00 0.00 47.33 46.30 3a1n h GLY 91 CO 0.04 0.79 -0.54 -0.84 0.00 0.00 0.00 176.54 175.98 3a1n h THR 92 N 0.75 1.30 -0.56 4.70 2.02 -1.14 -2.29 112.91 117.70 3a1n h THR 92 Ca 0.10 -1.77 -0.06 0.00 0.77 0.00 0.00 66.41 65.45 3a1n h THR 92 Cb 0.74 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.84 3a1n h THR 92 CO 0.06 0.56 0.10 0.22 0.37 0.00 0.00 175.52 176.82 3a1n h TYR 93 N 0.51 0.98 -0.34 3.16 3.20 -1.25 -1.65 116.97 121.58 3a1n h TYR 93 Ca 0.01 -0.13 0.04 0.00 3.14 0.00 0.00 58.73 61.79 3a1n h TYR 93 Cb 1.11 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.07 3a1n h TYR 93 CO 0.05 0.86 0.10 -0.91 -1.64 0.00 0.00 178.16 176.62 3a1n h ASN 94 N 0.81 0.08 -0.36 -2.11 -0.26 -0.82 -0.59 115.58 112.34 3a1n h ASN 94 Ca 0.17 0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.95 3a1n h ASN 94 Cb 0.40 0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.69 3a1n h ASN 94 CO 0.01 0.08 0.20 0.40 -1.06 0.00 0.00 177.43 177.06 3a1n h ILE 95 N 0.23 1.13 -0.10 2.81 1.08 -1.23 -0.60 117.51 120.82 3a1n h ILE 95 Ca 0.16 -0.33 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 3a1n h ILE 95 Cb 0.15 0.71 -0.00 0.00 -3.07 0.00 0.00 36.82 34.61 3a1n h ILE 95 CO -0.18 0.14 0.04 -0.07 -0.69 0.00 0.00 178.15 177.38 3a1n h LEU 96 N 0.45 0.14 -0.45 1.44 3.38 -1.03 0.15 115.31 119.40 3a1n h LEU 96 Ca 0.13 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3a1n h LEU 96 Cb 0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3a1n h LEU 96 CO -0.02 0.27 0.16 -0.08 0.09 0.00 0.00 178.44 178.86 3a1n h GLU 97 N 0.01 0.68 -0.56 1.13 4.57 -1.08 -0.38 114.58 118.96 3a1n h GLU 97 Ca 0.03 -0.14 -0.06 0.00 -1.18 0.00 0.00 59.36 58.02 3a1n h GLU 97 Cb 0.17 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 3a1n h GLU 97 CO -0.00 0.64 0.12 0.00 -1.18 0.00 0.00 179.01 178.59 3a1n h ALA 98 N 1.01 1.15 -0.31 2.92 0.00 -1.00 0.26 119.26 123.29 3a1n h ALA 98 Ca 0.15 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3a1n h ALA 98 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3a1n h ALA 98 CO -0.01 0.57 0.02 0.00 0.00 0.00 0.00 179.25 179.83 3a1n h ALA 99 N 1.29 0.42 0.17 0.00 0.00 -0.38 -1.69 119.26 119.06 3a1n h ALA 99 Ca 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3a1n h ALA 99 Cb 0.33 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3a1n h ALA 99 CO 0.00 0.15 -0.08 -0.22 0.00 0.00 0.00 179.25 179.10 3a1n h LYS 100 N 0.34 -0.22 -0.72 0.00 3.11 -0.62 -3.06 116.57 115.41 3a1n h LYS 100 Ca 0.09 0.01 0.07 0.00 -2.81 0.00 0.00 60.65 58.02 3a1n h LYS 100 Cb 0.40 0.05 -0.06 0.00 -1.00 0.00 0.00 32.23 31.62 3a1n h LYS 100 CO 0.01 -0.02 0.40 1.96 -2.81 0.00 0.00 179.45 178.99 3a1n h GLN 101 N -0.38 0.68 0.00 1.90 1.08 -0.50 -3.43 115.11 114.47 3a1n h GLN 101 Ca -0.02 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3a1n h GLN 101 Cb 0.29 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 3a1n h GLN 101 CO 0.04 0.45 0.00 0.72 -0.95 0.00 0.00 178.83 179.09 3a1n n HIS 102 N -4.79 -0.92 -2.28 2.96 8.25 -0.64 -5.01 115.22 112.79 3a1n n HIS 102 Ca 0.10 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.24 3a1n n HIS 102 Cb 0.22 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.34 3a1n n HIS 102 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3a1n n ARG 103 N -0.26 3.20 -2.93 -0.41 1.74 -1.26 -4.89 116.66 111.85 3a1n n ARG 103 Ca 0.00 -4.13 -0.41 0.00 -0.77 0.00 0.00 57.85 52.53 3a1n n ARG 103 Cb 0.00 -2.26 -0.04 0.00 -1.02 0.00 0.00 32.46 29.13 3a1n n ARG 103 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3a1n s VAL 104 N -5.30 4.88 0.11 1.55 1.01 -1.19 -4.75 120.40 116.71 3a1n s VAL 104 Ca 0.49 1.52 -0.12 0.00 0.00 0.00 0.00 61.98 63.87 3a1n s VAL 104 Cb 0.41 -4.09 -0.12 0.00 0.00 0.00 0.00 36.38 32.58 3a1n s VAL 104 CO -0.28 -0.01 1.36 -0.08 0.00 0.00 0.00 175.10 176.09 3a1n h GLU 105 N 7.55 0.84 -4.36 2.72 4.81 -1.52 -3.45 114.58 121.17 3a1n h GLU 105 Ca -0.26 -0.60 -0.25 0.00 -0.13 0.00 0.00 59.36 58.12 3a1n h GLU 105 Cb 1.11 0.10 -0.22 0.00 0.63 0.00 0.00 28.75 30.37 3a1n h GLU 105 CO 0.84 1.22 -0.73 0.15 -0.73 0.00 0.00 179.01 179.77 3a1n s LYS 106 N -3.97 0.44 -0.06 1.92 1.02 -1.03 -3.76 119.74 114.30 3a1n s LYS 106 Ca -0.11 -0.64 -0.01 0.00 0.02 0.00 0.00 55.97 55.23 3a1n s LYS 106 Cb 0.09 -0.18 0.03 0.00 -0.52 0.00 0.00 37.83 37.25 3a1n s LYS 106 CO 0.90 0.03 -0.01 0.54 -0.92 0.00 0.00 175.35 175.89 3a1n s VAL 107 N -1.25 0.38 -0.17 3.17 0.11 -0.81 -0.83 120.40 121.00 3a1n s VAL 107 Ca -0.10 0.08 -0.02 0.00 -2.93 0.00 0.00 61.98 59.00 3a1n s VAL 107 Cb -0.09 -0.51 -0.01 0.00 -1.53 0.00 0.00 36.38 34.24 3a1n s VAL 107 CO -0.00 0.24 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.24 3a1n s VAL 108 N 1.69 3.25 -0.17 2.04 1.01 0.23 -1.91 120.40 126.54 3a1n s VAL 108 Ca 0.01 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.43 3a1n s VAL 108 Cb -0.13 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.84 3a1n s VAL 108 CO -0.04 0.48 -0.17 -0.63 0.00 0.00 0.00 175.10 174.74 3a1n s ILE 109 N 0.87 2.40 -0.31 2.22 1.01 -0.02 -1.11 121.20 126.25 3a1n s ILE 109 Ca -0.02 -0.84 -0.27 0.00 0.00 0.00 0.00 60.65 59.52 3a1n s ILE 109 Cb -0.15 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.32 3a1n s ILE 109 CO 0.01 0.52 0.98 -2.16 0.00 0.00 0.00 174.94 174.28 3a1n s PRO 110 N 1.15 4.03 0.00 2.79 0.04 -1.26 -3.34 135.00 138.41 3a1n s PRO 110 Ca 0.01 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.96 3a1n s PRO 110 Cb -0.14 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.67 3a1n s PRO 110 CO -0.07 -0.83 0.00 0.45 0.04 0.00 0.00 177.00 176.59 3a1n n SER 111 N 6.64 0.00 -3.58 6.66 2.88 0.25 -4.94 113.62 121.53 3a1n n SER 111 Ca 0.09 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.52 3a1n n SER 111 Cb 0.47 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.89 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 1.65 0.05 -0.97 2.46 -1.32 -1.26 -2.10 115.64 114.15 3a1n s THR 112 Ca 0.00 -0.42 0.08 0.00 -1.21 0.00 0.00 61.69 60.14 3a1n s THR 112 Cb 0.00 -1.12 0.07 0.00 -1.51 0.00 0.00 72.50 69.94 3a1n s THR 112 CO 0.00 -0.23 1.25 2.30 -2.21 0.00 0.00 174.62 175.73 3a1n n ILE 113 N -0.25 1.47 0.21 5.08 -5.35 -0.95 -1.99 119.36 117.58 3a1n n ILE 113 Ca -0.16 0.38 0.05 0.00 -0.27 0.00 0.00 62.75 62.75 3a1n n ILE 113 Cb 0.64 -1.26 0.25 0.00 -1.74 0.00 0.00 39.64 37.53 3a1n n ILE 113 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a1n n GLY 114 N -0.75 -0.79 0.16 3.28 0.00 -1.26 -1.60 105.19 104.23 3a1n n GLY 114 Ca 0.02 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.20 3a1n n GLY 114 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3a1n h VAL 115 N 0.00 0.00 -3.85 1.61 -1.51 -1.62 -3.36 116.25 107.52 3a1n h VAL 115 Ca 0.00 -0.53 -0.49 0.00 -1.23 0.00 0.00 66.70 64.46 3a1n h VAL 115 Cb 0.11 1.46 0.05 0.00 -2.13 0.00 0.00 31.29 30.78 3a1n h VAL 115 CO 0.00 0.00 0.23 -0.36 -1.23 0.00 0.00 177.57 176.21 3a1n s PHE 116 N -3.26 3.39 0.22 5.19 0.08 -0.63 -3.03 117.98 119.94 3a1n s PHE 116 Ca 0.07 0.83 0.04 0.00 0.12 0.00 0.00 56.93 57.99 3a1n s PHE 116 Cb 0.10 -2.68 -0.01 0.00 -0.57 0.00 0.00 43.02 39.85 3a1n s PHE 116 CO 0.55 -0.73 0.22 0.41 -0.10 0.00 0.00 175.22 175.58 3a1n n GLY 117 N -2.59 3.09 0.41 4.36 0.00 -1.23 -4.12 105.19 105.11 3a1n n GLY 117 Ca 0.04 -1.75 0.25 0.00 0.00 0.00 0.00 46.02 44.56 3a1n n GLY 117 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3a1n h PRO 118 N 0.00 0.34 0.00 1.61 0.11 -1.78 0.12 132.00 132.39 3a1n h PRO 118 Ca -0.16 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3a1n h PRO 118 Cb 0.79 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.83 3a1n h PRO 118 CO 0.23 0.22 0.00 0.39 -0.21 0.00 0.00 178.00 178.63 3a1n n GLU 119 N -4.67 0.18 -2.38 1.05 4.71 -1.26 -4.78 120.64 113.48 3a1n n GLU 119 Ca 0.28 0.25 -0.41 0.00 -0.01 0.00 0.00 57.16 57.26 3a1n n GLU 119 Cb 0.97 -1.75 -0.03 0.00 -1.01 0.00 0.00 31.44 29.61 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 -3.14 3.65 0.32 2.62 2.01 0.40 -4.88 115.64 116.62 3a1n s THR 120 Ca 0.09 1.35 -0.28 0.00 0.31 0.00 0.00 61.69 63.15 3a1n s THR 120 Cb 0.12 -3.86 -0.13 0.00 0.01 0.00 0.00 72.50 68.65 3a1n s THR 120 CO 0.50 0.19 1.28 -2.65 -0.69 0.00 0.00 174.62 173.25 3a1n n PRO 121 N 2.78 2.04 0.13 4.92 -0.02 -1.26 -4.85 135.00 138.74 3a1n n PRO 121 Ca 0.05 0.72 0.01 0.00 -2.02 0.00 0.00 63.50 62.26 3a1n n PRO 121 Cb 0.45 -2.29 0.07 0.00 -0.02 0.00 0.00 33.50 31.71 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 2.72 0.00 -5.54 -0.52 1.57 -1.92 -3.42 116.57 109.46 3a1n h LYS 122 Ca -0.45 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.66 3a1n h LYS 122 Cb 1.29 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.31 3a1n h LYS 122 CO 0.64 0.60 -0.81 -0.80 -0.57 0.00 0.00 179.45 178.51 3a1n s ASN 123 N -6.54 3.63 -1.38 0.86 0.01 -1.26 0.05 114.94 110.32 3a1n s ASN 123 Ca 0.02 -0.40 -0.02 0.00 -0.71 0.00 0.00 52.86 51.75 3a1n s ASN 123 Cb 0.09 -1.36 0.02 0.00 0.41 0.00 0.00 41.25 40.41 3a1n s ASN 123 CO 0.75 0.20 0.64 0.29 -1.51 0.00 0.00 177.10 177.47 3a1n n LYS 124 N 3.30 -4.41 -1.87 -0.60 5.02 -0.87 -4.89 118.16 113.84 3a1n n LYS 124 Ca -0.18 0.54 -0.42 0.00 -2.02 0.00 0.00 58.31 56.23 3a1n n LYS 124 Cb 0.53 -5.01 -0.03 0.00 -0.02 0.00 0.00 35.03 30.50 3a1n n LYS 124 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3a1n s VAL 125 N -3.71 2.66 0.76 -0.18 1.01 -0.96 -4.11 120.40 115.87 3a1n s VAL 125 Ca 0.10 0.34 -0.09 0.00 0.00 0.00 0.00 61.98 62.33 3a1n s VAL 125 Cb -0.05 -3.22 0.07 0.00 0.00 0.00 0.00 36.38 33.18 3a1n s VAL 125 CO 0.84 0.01 1.10 -2.16 0.00 0.00 0.00 175.10 174.89 3a1n s PRO 126 N 1.87 2.07 0.10 2.72 0.04 -1.26 -0.82 135.00 139.72 3a1n s PRO 126 Ca 0.74 -0.08 -0.17 0.00 0.04 0.00 0.00 61.00 61.52 3a1n s PRO 126 Cb -0.44 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 31.98 3a1n s PRO 126 CO 0.32 -1.42 1.53 0.77 0.04 0.00 0.00 177.00 178.24 3a1n h SER 127 N -0.83 0.53 -3.45 6.66 0.02 -1.86 -3.38 113.55 111.25 3a1n h SER 127 Ca -0.45 -0.32 -0.65 0.00 -0.84 0.00 0.00 61.79 59.53 3a1n h SER 127 Cb 1.32 -0.14 -0.15 0.00 0.14 0.00 0.00 62.40 63.57 3a1n h SER 127 CO 0.63 0.72 0.23 0.27 -1.14 0.00 0.00 176.83 177.54 3a1n s ILE 128 N -4.95 4.73 0.00 3.27 -4.36 -1.26 -4.95 121.20 113.68 3a1n s ILE 128 Ca -0.13 0.05 0.00 0.00 -0.26 0.00 0.00 60.65 60.31 3a1n s ILE 128 Cb 0.08 -4.31 0.00 0.00 1.25 0.00 0.00 42.46 39.48 3a1n s ILE 128 CO 0.77 -0.76 0.00 1.07 0.24 0.00 0.00 174.94 176.25 3a1n n THR 129 N 5.91 0.00 -2.38 8.37 5.66 -1.26 -5.13 114.28 125.45 3a1n n THR 129 Ca -0.01 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.57 3a1n n THR 129 Cb 0.47 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.22 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 -2.75 3.73 -0.49 1.09 1.01 -1.26 -4.99 121.20 117.53 3a1n s ILE 130 Ca 0.00 1.34 0.03 0.00 0.00 0.00 0.00 60.65 62.03 3a1n s ILE 130 Cb 0.00 -3.86 0.16 0.00 0.01 0.00 0.00 42.46 38.77 3a1n s ILE 130 CO 0.00 0.16 0.34 -0.89 0.00 0.00 0.00 174.94 174.55 3a1n s THR 131 N 0.49 1.28 -0.61 2.92 2.01 -1.26 -4.55 115.64 115.91 3a1n s THR 131 Ca 0.56 -2.97 0.06 0.00 0.31 0.00 0.00 61.69 59.65 3a1n s THR 131 Cb -0.32 -1.87 0.28 0.00 0.01 0.00 0.00 72.50 70.60 3a1n s THR 131 CO 0.33 -1.06 0.81 0.54 -0.69 0.00 0.00 174.62 174.55 3a1n n ARG 132 N 2.91 2.72 -1.63 4.92 5.12 -1.25 -4.95 116.66 124.50 3a1n n ARG 132 Ca 0.20 -4.70 -0.41 0.00 -1.93 0.00 0.00 57.85 51.01 3a1n n ARG 132 Cb 0.40 -2.23 0.02 0.00 -1.16 0.00 0.00 32.46 29.49 3a1n n ARG 132 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3a1n n PRO 133 N 0.48 1.43 -0.25 5.56 -0.04 -1.17 -4.07 135.00 136.94 3a1n n PRO 133 Ca 0.30 0.51 0.07 0.00 -0.04 0.00 0.00 63.50 64.35 3a1n n PRO 133 Cb 0.41 -2.15 0.20 0.00 -0.04 0.00 0.00 33.50 31.92 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 -0.07 2.90 -4.36 0.54 5.12 -1.26 -4.75 116.66 114.79 3a1n n ARG 134 Ca 0.09 -2.27 -0.24 0.00 -1.93 0.00 0.00 57.85 53.50 3a1n n ARG 134 Cb 0.40 -1.40 -0.12 0.00 -1.16 0.00 0.00 32.46 30.19 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 -1.19 2.00 0.19 0.55 -4.23 -1.26 -5.03 115.64 106.67 3a1n s THR 135 Ca 0.31 -1.87 -0.12 0.00 -1.18 0.00 0.00 61.69 58.83 3a1n s THR 135 Cb 0.17 -1.89 0.11 0.00 1.34 0.00 0.00 72.50 72.23 3a1n s THR 135 CO 0.19 -0.17 1.83 -0.03 -0.54 0.00 0.00 174.62 175.89 3a1n h MET 136 N 3.45 0.71 -0.30 3.99 4.05 -1.92 -1.24 114.93 123.67 3a1n h MET 136 Ca -0.45 -0.04 0.07 0.00 -0.28 0.00 0.00 59.70 58.99 3a1n h MET 136 Cb 1.20 -0.16 -0.07 0.00 -0.80 0.00 0.00 31.60 31.77 3a1n h MET 136 CO 0.47 0.47 -0.14 -0.92 0.23 0.00 0.00 176.91 177.01 3a1n h TYR 137 N 0.73 -0.35 -0.56 1.39 3.20 -1.87 -1.06 116.97 118.45 3a1n h TYR 137 Ca 0.25 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.11 3a1n h TYR 137 Cb 0.03 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 3a1n h TYR 137 CO -0.06 -0.22 0.18 0.78 -1.64 0.00 0.00 178.16 177.21 3a1n h GLY 138 N -0.10 0.90 0.89 1.82 0.00 -1.57 -1.37 103.07 103.64 3a1n h GLY 138 Ca 0.15 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 3a1n h GLY 138 CO -0.36 0.46 -0.11 -0.39 0.00 0.00 0.00 176.54 176.13 3a1n h VAL 139 N 0.81 1.29 -0.18 4.60 -1.51 -0.60 -1.57 116.25 119.10 3a1n h VAL 139 Ca 0.19 -1.19 -0.04 0.00 -1.23 0.00 0.00 66.70 64.43 3a1n h VAL 139 Cb 0.23 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 30.84 3a1n h VAL 139 CO -0.01 0.38 -0.08 0.71 -1.23 0.00 0.00 177.57 177.33 3a1n h THR 140 N 0.33 1.17 0.00 7.19 1.35 -1.06 -1.39 112.91 120.50 3a1n h THR 140 Ca 0.07 -0.70 -0.22 0.00 -0.55 0.00 0.00 66.41 65.01 3a1n h THR 140 Cb 0.62 1.12 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3a1n h THR 140 CO 0.04 0.22 -0.93 0.11 -0.25 0.00 0.00 175.52 174.71 3a1n h LYS 141 N 0.27 0.34 -0.07 4.72 1.79 -1.02 -0.87 116.57 121.72 3a1n h LYS 141 Ca 0.06 -0.37 -0.18 0.00 -2.18 0.00 0.00 60.65 57.97 3a1n h LYS 141 Cb 0.32 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.07 3a1n h LYS 141 CO 0.02 1.06 -0.74 0.97 -1.08 0.00 0.00 179.45 179.68 3a1n h ILE 142 N 0.19 1.38 -0.52 1.86 6.09 -1.10 -2.09 117.51 123.32 3a1n h ILE 142 Ca -0.07 -2.17 -0.01 0.00 -1.37 0.00 0.00 64.86 61.25 3a1n h ILE 142 Cb 1.56 2.13 -0.02 0.00 0.47 0.00 0.00 36.82 40.96 3a1n h ILE 142 CO 0.15 0.65 0.30 0.00 -3.07 0.00 0.00 178.15 176.19 3a1n h ALA 143 N 0.94 0.67 -0.82 0.18 0.00 -1.20 -1.61 119.26 117.42 3a1n h ALA 143 Ca -0.03 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3a1n h ALA 143 Cb 1.32 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 3a1n h ALA 143 CO 0.13 0.17 0.51 0.00 0.00 0.00 0.00 179.25 180.06 3a1n h ALA 144 N 1.14 1.11 -0.21 0.00 0.00 -0.93 0.29 119.26 120.66 3a1n h ALA 144 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3a1n h ALA 144 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3a1n h ALA 144 CO -0.03 0.29 0.10 0.93 0.00 0.00 0.00 179.25 180.54 3a1n h GLU 145 N 0.97 0.31 -0.51 0.00 5.08 -0.92 0.16 114.58 119.66 3a1n h GLU 145 Ca 0.35 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 3a1n h GLU 145 Cb 0.10 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3a1n h GLU 145 CO -0.15 0.33 0.16 -0.07 -1.00 0.00 0.00 179.01 178.28 3a1n h LEU 146 N 0.21 0.74 -0.70 1.33 3.38 -0.71 0.13 115.31 119.70 3a1n h LEU 146 Ca 0.07 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3a1n h LEU 146 Cb 0.12 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3a1n h LEU 146 CO -0.01 0.76 0.27 -0.07 0.09 0.00 0.00 178.44 179.48 3a1n h LEU 147 N 0.69 0.97 -0.49 1.67 4.07 -0.32 0.84 115.31 122.74 3a1n h LEU 147 Ca 0.16 -0.18 -0.04 0.00 0.08 0.00 0.00 57.88 57.91 3a1n h LEU 147 Cb 0.28 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.75 3a1n h LEU 147 CO -0.00 0.89 0.15 1.23 -1.08 0.00 0.00 178.44 179.62 3a1n h GLY 148 N 1.00 0.82 1.28 0.83 0.00 -0.28 0.12 103.07 106.84 3a1n h GLY 148 Ca 0.23 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 3a1n h GLY 148 CO -0.02 0.45 -0.03 -1.61 0.00 0.00 0.00 176.54 175.34 3a1n h GLN 149 N 0.66 0.87 -0.47 4.80 5.75 -0.42 -2.72 115.11 123.57 3a1n h GLN 149 Ca 0.16 -0.26 -0.04 0.00 -0.15 0.00 0.00 58.65 58.35 3a1n h GLN 149 Cb 0.28 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 3a1n h GLN 149 CO -0.00 0.89 0.13 -0.92 -2.65 0.00 0.00 178.83 176.28 3a1n h TYR 150 N 0.80 0.77 -0.37 3.99 3.20 -0.42 -1.68 116.97 123.27 3a1n h TYR 150 Ca 0.15 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 61.97 3a1n h TYR 150 Cb 0.52 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3a1n h TYR 150 CO 0.03 0.69 0.25 1.88 -1.64 0.00 0.00 178.16 179.37 3a1n h TYR 151 N 0.63 0.35 0.44 -3.82 -1.99 -0.51 0.23 116.97 112.30 3a1n h TYR 151 Ca 0.15 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.87 3a1n h TYR 151 Cb 0.29 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 38.91 3a1n h TYR 151 CO 0.02 0.20 -0.21 -0.92 -0.00 0.00 0.00 178.16 177.25 3a1n h TYR 152 N 0.36 -0.55 -0.96 4.88 3.20 -1.14 -1.59 116.97 121.17 3a1n h TYR 152 Ca 0.15 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.07 3a1n h TYR 152 Cb 0.16 0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.55 3a1n h TYR 152 CO -0.00 -0.28 0.62 0.93 -1.64 0.00 0.00 178.16 177.79 3a1n h GLU 153 N -1.10 1.10 0.15 1.82 5.08 -0.97 0.59 114.58 121.25 3a1n h GLU 153 Ca -0.06 -0.07 -0.23 0.00 -1.00 0.00 0.00 59.36 58.00 3a1n h GLU 153 Cb 0.52 -0.25 0.02 0.00 0.50 0.00 0.00 28.75 29.54 3a1n h GLU 153 CO 0.10 0.73 -1.09 -0.22 -1.00 0.00 0.00 179.01 177.53 3a1n h LYS 154 N 1.13 0.32 -0.00 2.33 1.63 -0.67 -3.40 116.57 117.90 3a1n h LYS 154 Ca 0.41 -0.54 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 3a1n h LYS 154 Cb 0.14 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 3a1n h LYS 154 CO -0.15 1.26 -0.18 1.19 -3.45 0.00 0.00 179.45 178.11 3a1n n PHE 155 N -4.01 0.00 -1.00 1.91 3.72 -0.62 -5.00 117.46 112.46 3a1n n PHE 155 Ca -0.18 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.22 3a1n n PHE 155 Cb 0.89 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.43 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 0.85 0.49 3.69 1.37 0.00 0.21 -4.99 105.19 106.80 3a1n n GLY 156 Ca 0.03 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3a1n n GLY 156 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a1n s LEU 157 N -0.00 4.30 -0.96 0.99 0.20 -1.07 -4.91 118.68 117.23 3a1n s LEU 157 Ca 0.00 1.98 -0.24 0.00 0.69 0.00 0.00 54.13 56.56 3a1n s LEU 157 Cb 0.00 -3.56 0.01 0.00 -0.43 0.00 0.00 46.19 42.21 3a1n s LEU 157 CO 0.00 -0.66 1.63 -0.62 -0.29 0.00 0.00 176.35 176.40 3a1n s ASP 158 N 1.72 5.98 -0.10 3.68 2.15 -1.25 -3.24 116.67 125.61 3a1n s ASP 158 Ca 0.60 -1.09 0.02 0.00 0.43 0.00 0.00 52.55 52.51 3a1n s ASP 158 Cb -0.28 -2.56 -0.01 0.00 -0.30 0.00 0.00 42.92 39.76 3a1n s ASP 158 CO 0.24 -1.98 -0.17 0.54 -0.17 0.00 0.00 175.17 173.64 3a1n s VAL 159 N 6.90 2.74 0.12 1.11 0.11 -1.26 -1.92 120.40 128.20 3a1n s VAL 159 Ca 0.54 -0.79 0.05 0.00 -2.93 0.00 0.00 61.98 58.85 3a1n s VAL 159 Cb -0.03 -2.11 -0.04 0.00 -1.53 0.00 0.00 36.38 32.67 3a1n s VAL 159 CO -0.05 0.55 -0.12 -0.13 -3.33 0.00 0.00 175.10 172.02 3a1n s ARG 160 N 0.12 0.98 -0.02 1.54 0.52 -0.80 -4.71 118.95 116.58 3a1n s ARG 160 Ca -0.08 -1.27 -0.27 0.00 -0.52 0.00 0.00 55.73 53.59 3a1n s ARG 160 Cb -0.15 -0.73 0.06 0.00 0.52 0.00 0.00 34.95 34.65 3a1n s ARG 160 CO 0.05 0.12 0.59 -1.54 0.02 0.00 0.00 175.30 174.55 3a1n s SER 161 N -2.64 -0.55 0.12 0.23 1.04 -1.07 -0.84 113.70 109.99 3a1n s SER 161 Ca 0.10 0.50 0.03 0.00 0.48 0.00 0.00 55.95 57.07 3a1n s SER 161 Cb -0.02 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 3a1n s SER 161 CO 0.02 -0.62 -0.09 -1.48 0.98 0.00 0.00 173.24 172.05 3a1n s LEU 162 N -1.40 2.50 -0.29 2.42 2.34 -1.21 -2.06 118.68 120.97 3a1n s LEU 162 Ca -0.10 -0.97 -0.08 0.00 0.06 0.00 0.00 54.13 53.03 3a1n s LEU 162 Cb -0.01 -0.24 -0.01 0.00 -0.56 0.00 0.00 46.19 45.37 3a1n s LEU 162 CO 0.06 -0.36 0.11 -0.13 -1.06 0.00 0.00 176.35 174.97 3a1n s ARG 163 N -3.60 3.37 0.35 1.48 0.52 0.27 0.86 118.95 122.20 3a1n s ARG 163 Ca 0.13 -0.68 -0.17 0.00 -0.52 0.00 0.00 55.73 54.48 3a1n s ARG 163 Cb 0.02 -3.45 -0.09 0.00 0.52 0.00 0.00 34.95 31.95 3a1n s ARG 163 CO -0.01 -0.36 0.80 0.71 0.02 0.00 0.00 175.30 176.45 3a1n s TYR 164 N 1.59 3.38 0.00 -0.53 2.02 -0.89 -2.66 117.35 120.25 3a1n s TYR 164 Ca 0.05 1.34 0.00 0.00 -0.37 0.00 0.00 57.07 58.09 3a1n s TYR 164 Cb -0.17 -2.63 0.00 0.00 -0.40 0.00 0.00 41.96 38.76 3a1n s TYR 164 CO 0.05 0.05 0.00 -0.35 -1.57 0.00 0.00 175.55 173.73 3a1n n PRO 165 N -0.37 2.69 -2.21 -1.71 -0.04 -1.25 -2.24 135.00 129.87 3a1n n PRO 165 Ca 0.04 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.09 3a1n n PRO 165 Cb 0.53 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.80 2.76 -0.18 0.55 0.00 -0.54 -4.86 107.32 104.24 3a1n s GLY 166 Ca 0.00 1.14 -0.05 0.00 0.00 0.00 0.00 44.72 45.81 3a1n s GLY 166 CO 0.00 1.92 -0.01 -0.42 0.00 0.00 0.00 173.10 174.59 3a1n s ILE 167 N -0.58 3.97 -0.10 0.90 -1.09 -1.26 -1.28 121.20 121.76 3a1n s ILE 167 Ca 0.52 -0.32 -0.12 0.00 -2.23 0.00 0.00 60.65 58.50 3a1n s ILE 167 Cb -0.37 -2.77 -0.05 0.00 -1.58 0.00 0.00 42.46 37.69 3a1n s ILE 167 CO 0.45 0.45 0.27 -0.63 -1.23 0.00 0.00 174.94 174.25 3a1n s ILE 168 N 0.74 5.29 0.09 2.92 1.01 -0.05 -4.90 121.20 126.30 3a1n s ILE 168 Ca -0.00 0.51 -0.23 0.00 0.00 0.00 0.00 60.65 60.92 3a1n s ILE 168 Cb -0.14 -3.57 0.06 0.00 0.01 0.00 0.00 42.46 38.82 3a1n s ILE 168 CO 0.02 0.53 0.56 -0.94 0.00 0.00 0.00 174.94 175.11 3a1n s SER 169 N -0.55 -0.49 -0.01 3.58 1.04 -1.26 0.18 113.70 116.19 3a1n s SER 169 Ca 0.18 0.10 0.10 0.00 0.48 0.00 0.00 55.95 56.80 3a1n s SER 169 Cb -0.14 0.54 -0.13 0.00 0.10 0.00 0.00 66.02 66.39 3a1n s SER 169 CO 0.07 -0.83 0.30 0.00 0.98 0.00 0.00 173.24 173.76 3a1n n TYR 170 N 0.04 0.00 -0.04 5.02 4.11 -1.26 -4.74 117.16 120.29 3a1n n TYR 170 Ca -0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 57.72 3a1n n TYR 170 Cb 0.62 -0.13 -0.00 0.00 -0.00 0.00 0.00 39.34 39.83 3a1n n TYR 170 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.86 177.73 3a1n h LYS 171 N 0.00 0.00 -6.76 -3.48 1.57 -1.98 -3.46 116.57 102.47 3a1n h LYS 171 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 3a1n h LYS 171 Cb 0.35 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.68 3a1n h LYS 171 CO 0.00 0.00 0.49 0.00 -0.57 0.00 0.00 179.45 179.37 3a1n s ALA 172 N -2.73 3.41 -0.04 3.86 0.00 -1.26 -5.03 121.76 119.96 3a1n s ALA 172 Ca -0.03 0.90 -0.03 0.00 0.00 0.00 0.00 51.96 52.80 3a1n s ALA 172 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 3a1n s ALA 172 CO 0.05 -0.21 0.11 -1.21 0.00 0.00 0.00 175.76 174.50 3a1n s GLU 173 N -1.06 3.24 0.55 0.00 2.02 -1.26 -4.79 118.70 117.39 3a1n s GLU 173 Ca 0.47 -0.35 -0.18 0.00 0.02 0.00 0.00 54.97 54.92 3a1n s GLU 173 Cb -0.32 -2.99 -0.10 0.00 0.10 0.00 0.00 34.13 30.83 3a1n s GLU 173 CO 0.39 0.69 0.46 -0.35 0.02 0.00 0.00 175.26 176.48 3a1n n PRO 174 N 1.42 0.47 -3.18 0.39 -0.04 -1.26 -4.91 135.00 127.89 3a1n n PRO 174 Ca -0.15 0.18 -0.23 0.00 -0.04 0.00 0.00 63.50 63.26 3a1n n PRO 174 Cb 0.53 -1.61 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 3a1n n PRO 174 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3a1n n THR 175 N -1.60 0.93 -3.24 0.52 5.66 -1.26 -4.94 114.28 110.35 3a1n n THR 175 Ca 0.11 -4.79 -0.16 0.00 -3.05 0.00 0.00 64.05 56.16 3a1n n THR 175 Cb 0.47 -1.33 -0.03 0.00 -1.55 0.00 0.00 70.33 67.89 3a1n n THR 175 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3a1n n ALA 176 N 0.57 -1.07 -1.82 1.79 0.00 -1.26 -4.91 120.51 113.80 3a1n n ALA 176 Ca 0.26 -0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.53 3a1n n ALA 176 Cb 0.52 -1.36 0.09 0.00 0.00 0.00 0.00 19.45 18.70 3a1n n ALA 176 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1n n GLY 177 N -0.74 -0.60 0.13 0.00 0.00 -1.26 -4.73 105.19 98.00 3a1n n GLY 177 Ca 0.03 -1.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.11 3a1n n GLY 177 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3a1n h THR 178 N -1.08 1.39 -0.63 2.61 2.02 -1.93 -3.30 112.91 112.00 3a1n h THR 178 Ca -0.21 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.40 3a1n h THR 178 Cb 0.63 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 3a1n h THR 178 CO 0.17 0.46 0.00 0.35 0.37 0.00 0.00 175.52 176.87 3a1n n THR 179 N -4.46 0.85 0.30 3.16 -2.24 -1.26 -4.45 114.28 106.19 3a1n n THR 179 Ca -0.07 -0.84 0.19 0.00 -2.27 0.00 0.00 64.05 61.05 3a1n n THR 179 Cb 0.45 0.41 0.89 0.00 -2.10 0.00 0.00 70.33 69.98 3a1n n THR 179 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3a1n h ASP 180 N 3.65 0.00 -0.28 3.42 3.32 -1.93 -2.89 116.42 121.71 3a1n h ASP 180 Ca 0.00 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.10 3a1n h ASP 180 Cb 0.85 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 3a1n h ASP 180 CO 0.01 0.00 0.19 0.10 -1.72 0.00 0.00 179.24 177.82 3a1n h TYR 181 N 0.00 0.15 0.00 4.55 -0.00 -1.84 -0.50 116.97 119.33 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 0.24 -0.05 0.00 0.00 -0.00 0.00 0.00 36.73 36.92 3a1n h TYR 181 CO 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 178.16 178.24 3a1n h ALA 182 N 1.85 1.00 0.00 0.10 0.00 -1.88 -0.97 119.26 119.36 3a1n h ALA 182 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.65 3a1n h ALA 182 Cb 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 3a1n h ALA 182 CO -0.02 0.00 -2.34 1.33 0.00 0.00 0.00 179.25 178.22 3a1n n VAL 183 N -2.48 1.33 -0.30 0.00 0.24 -0.30 -4.57 118.33 112.25 3a1n n VAL 183 Ca -0.00 -0.39 0.09 0.00 -2.04 0.00 0.00 64.34 62.00 3a1n n VAL 183 Cb 0.15 -1.67 0.25 0.00 -1.47 0.00 0.00 33.84 31.11 3a1n n VAL 183 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3a1n h GLU 184 N -0.60 0.52 -0.63 7.34 5.08 -1.05 -1.82 114.58 123.43 3a1n h GLU 184 Ca -0.59 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 57.86 3a1n h GLU 184 Cb 1.62 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.71 3a1n h GLU 184 CO -0.28 0.35 0.42 0.97 -1.00 0.00 0.00 179.01 179.47 3a1n h ILE 185 N 0.54 0.85 -0.19 3.13 2.10 -1.43 -1.82 117.51 120.69 3a1n h ILE 185 Ca 0.50 -0.12 -0.12 0.00 1.08 0.00 0.00 64.86 66.19 3a1n h ILE 185 Cb 0.80 0.46 -0.01 0.00 -1.09 0.00 0.00 36.82 36.98 3a1n h ILE 185 CO -0.42 0.07 -0.39 -0.26 -1.08 0.00 0.00 178.15 176.06 3a1n h PHE 186 N 0.36 0.50 -0.40 2.19 0.04 -1.58 -0.22 116.94 117.83 3a1n h PHE 186 Ca 0.30 -0.14 -0.05 0.00 2.80 0.00 0.00 57.97 60.88 3a1n h PHE 186 Cb 0.68 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.70 3a1n h PHE 186 CO -0.00 0.76 0.06 1.88 -0.60 0.00 0.00 178.31 180.41 3a1n h TYR 187 N 0.36 0.71 -0.51 -0.55 -1.99 -1.42 -1.57 116.97 112.00 3a1n h TYR 187 Ca 0.03 -0.10 -0.12 0.00 2.00 0.00 0.00 58.73 60.55 3a1n h TYR 187 Cb 0.85 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 39.37 3a1n h TYR 187 CO 0.03 0.70 -0.13 1.88 -0.00 0.00 0.00 178.16 180.64 3a1n h TYR 188 N 0.52 1.12 0.16 4.88 -1.99 -1.40 -2.77 116.97 117.49 3a1n h TYR 188 Ca 0.12 -0.24 -0.00 0.00 2.00 0.00 0.00 58.73 60.61 3a1n h TYR 188 Cb 0.38 -0.27 -0.00 0.00 2.00 0.00 0.00 36.73 38.83 3a1n h TYR 188 CO 0.03 1.06 -0.11 0.00 -0.00 0.00 0.00 178.16 179.13 3a1n h ALA 189 N 0.90 -0.25 -0.46 3.88 0.00 -0.88 0.15 119.26 122.59 3a1n h ALA 189 Ca 0.13 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3a1n h ALA 189 Cb 0.70 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3a1n h ALA 189 CO 0.05 -0.65 0.31 0.28 0.00 0.00 0.00 179.25 179.24 3a1n h VAL 190 N -0.26 1.00 -0.19 0.00 2.07 -1.30 0.27 116.25 117.83 3a1n h VAL 190 Ca -0.01 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3a1n h VAL 190 Cb 0.23 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3a1n h VAL 190 CO 0.01 0.08 0.00 0.29 0.02 0.00 0.00 177.57 177.96 3a1n n LYS 191 N -4.48 1.73 -3.65 1.57 4.76 -0.98 -4.92 118.16 112.20 3a1n n LYS 191 Ca 0.06 -1.10 -0.27 0.00 -2.87 0.00 0.00 58.31 54.13 3a1n n LYS 191 Cb 0.21 -1.38 0.04 0.00 -1.84 0.00 0.00 35.03 32.07 3a1n n LYS 191 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3a1n n ARG 192 N 0.33 -6.12 -4.21 1.97 3.00 0.08 -4.98 116.66 106.73 3a1n n ARG 192 Ca 0.16 0.71 -0.27 0.00 -0.01 0.00 0.00 57.85 58.43 3a1n n ARG 192 Cb 0.32 -5.64 -0.08 0.00 0.00 0.00 0.00 32.46 27.06 3a1n n ARG 192 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 3a1n s GLU 193 N -6.36 2.32 -0.13 5.56 2.02 0.42 -4.74 118.70 117.79 3a1n s GLU 193 Ca 0.57 -1.09 -0.29 0.00 0.02 0.00 0.00 54.97 54.18 3a1n s GLU 193 Cb -0.27 -2.34 -0.02 0.00 0.10 0.00 0.00 34.13 31.59 3a1n s GLU 193 CO 0.71 0.47 1.36 0.21 0.02 0.00 0.00 175.26 178.03 3a1n s LYS 194 N -2.75 4.22 -0.16 1.61 2.20 -1.26 -4.09 119.74 119.52 3a1n s LYS 194 Ca 0.26 1.79 -0.16 0.00 -0.36 0.00 0.00 55.97 57.50 3a1n s LYS 194 Cb -0.10 -3.81 -0.04 0.00 -1.51 0.00 0.00 37.83 32.37 3a1n s LYS 194 CO 0.17 -0.73 0.40 -0.47 -0.36 0.00 0.00 175.35 174.36 3a1n s TYR 195 N 3.59 3.45 -0.52 4.03 5.04 -0.29 -4.93 117.35 127.71 3a1n s TYR 195 Ca 0.59 0.72 -0.20 0.00 -2.44 0.00 0.00 57.07 55.74 3a1n s TYR 195 Cb -0.25 -2.49 0.06 0.00 0.35 0.00 0.00 41.96 39.64 3a1n s TYR 195 CO 0.18 0.13 0.68 0.21 -1.34 0.00 0.00 175.55 175.41 3a1n s LYS 196 N 0.82 3.14 -0.03 4.97 2.20 -1.26 -1.36 119.74 128.21 3a1n s LYS 196 Ca 0.21 -0.85 -0.24 0.00 -0.36 0.00 0.00 55.97 54.73 3a1n s LYS 196 Cb -0.14 -4.11 -0.04 0.00 -1.51 0.00 0.00 37.83 32.03 3a1n s LYS 196 CO 0.08 -1.29 0.73 0.00 -0.36 0.00 0.00 175.35 174.51 3a1n n TYR 198 N 3.49 0.00 -4.44 0.00 0.18 -1.26 -0.73 117.16 114.39 3a1n n TYR 198 Ca -0.01 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.45 3a1n n TYR 198 Cb 0.51 -0.01 -0.10 0.00 -0.38 0.00 0.00 39.34 39.36 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 -2.04 3.20 0.52 -3.48 1.43 -1.26 -2.41 118.68 114.64 3a1n s LEU 199 Ca 0.35 -0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 53.11 3a1n s LEU 199 Cb 0.21 -1.83 -0.07 0.00 0.03 0.00 0.00 46.19 44.52 3a1n s LEU 199 CO 0.35 0.28 1.05 0.00 0.23 0.00 0.00 176.35 178.25 3a1n n ALA 200 N 1.55 0.43 0.21 4.21 0.00 -1.26 -4.82 120.51 120.82 3a1n n ALA 200 Ca -0.15 0.12 0.18 0.00 0.00 0.00 0.00 53.44 53.58 3a1n n ALA 200 Cb 0.53 -2.14 0.84 0.00 0.00 0.00 0.00 19.45 18.67 3a1n n ALA 200 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3a1n h PRO 201 N 1.11 0.00 -0.38 0.00 0.13 -1.97 -1.63 132.00 129.26 3a1n h PRO 201 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3a1n h PRO 201 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3a1n h PRO 201 CO 0.54 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.40 3a1n n ASN 202 N -3.66 3.91 -4.56 1.44 3.02 -1.26 -2.43 115.26 111.71 3a1n n ASN 202 Ca 0.02 -2.61 -0.34 0.00 -0.03 0.00 0.00 54.58 51.61 3a1n n ASN 202 Cb 0.36 -0.47 -0.04 0.00 -0.61 0.00 0.00 39.78 39.02 3a1n n ASN 202 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3a1n s ARG 203 N -2.11 3.11 0.12 3.52 6.06 -0.61 -4.92 118.95 124.12 3a1n s ARG 203 Ca 0.39 -0.81 -0.30 0.00 -2.50 0.00 0.00 55.73 52.51 3a1n s ARG 203 Cb 0.28 -5.24 -0.06 0.00 0.06 0.00 0.00 34.95 29.99 3a1n s ARG 203 CO 0.14 -2.81 1.09 0.00 -2.50 0.00 0.00 175.30 171.23 3a1n s ALA 204 N 7.45 3.34 0.06 6.12 0.00 -1.26 -4.17 121.76 133.29 3a1n s ALA 204 Ca 0.58 0.77 -0.05 0.00 0.00 0.00 0.00 51.96 53.25 3a1n s ALA 204 Cb -0.03 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 3a1n s ALA 204 CO -0.04 -0.24 0.09 -0.51 0.00 0.00 0.00 175.76 175.06 3a1n s LEU 205 N 0.15 1.86 0.22 0.00 1.43 -0.79 -4.27 118.68 117.28 3a1n s LEU 205 Ca 0.51 -0.68 -0.22 0.00 -1.03 0.00 0.00 54.13 52.71 3a1n s LEU 205 Cb -0.28 0.63 -0.08 0.00 0.03 0.00 0.00 46.19 46.49 3a1n s LEU 205 CO 0.32 -0.60 0.76 -2.16 0.23 0.00 0.00 176.35 174.91 3a1n s PRO 206 N -3.29 4.38 0.21 1.29 0.04 -0.87 -1.98 135.00 134.77 3a1n s PRO 206 Ca 0.01 1.00 -0.06 0.00 0.04 0.00 0.00 61.00 61.99 3a1n s PRO 206 Cb 0.03 -2.98 -0.02 0.00 0.04 0.00 0.00 34.50 31.57 3a1n s PRO 206 CO -0.08 0.43 0.28 -1.64 0.04 0.00 0.00 177.00 176.03 3a1n s MET 207 N -1.75 1.31 0.15 4.56 -1.94 0.10 -1.47 119.30 120.26 3a1n s MET 207 Ca 0.42 -1.42 -0.23 0.00 -1.71 0.00 0.00 55.69 52.74 3a1n s MET 207 Cb -0.19 0.36 0.07 0.00 2.01 0.00 0.00 34.83 37.08 3a1n s MET 207 CO 0.23 -0.48 0.63 0.00 -0.01 0.00 0.00 175.02 175.38 3a1n s MET 208 N -4.08 1.25 0.06 2.03 0.23 -0.40 -1.75 119.30 116.64 3a1n s MET 208 Ca 0.29 -0.46 -0.20 0.00 -1.03 0.00 0.00 55.69 54.29 3a1n s MET 208 Cb 0.04 0.57 -0.07 0.00 -1.53 0.00 0.00 34.83 33.84 3a1n s MET 208 CO 0.09 -0.55 0.57 -0.47 -2.03 0.00 0.00 175.02 172.63 3a1n s TYR 209 N -3.70 3.79 0.27 3.16 5.04 -1.26 -0.87 117.35 123.78 3a1n s TYR 209 Ca 0.01 1.27 -0.07 0.00 -2.44 0.00 0.00 57.07 55.84 3a1n s TYR 209 Cb -0.01 -2.51 0.47 0.00 0.35 0.00 0.00 41.96 40.26 3a1n s TYR 209 CO -0.12 0.56 1.58 1.98 -1.34 0.00 0.00 175.55 178.20 3a1n h MET 210 N 4.67 0.01 -0.76 4.97 1.85 -0.63 0.28 114.93 125.32 3a1n h MET 210 Ca -0.49 -0.00 0.12 0.00 -0.61 0.00 0.00 59.70 58.72 3a1n h MET 210 Cb 1.21 -0.00 -0.05 0.00 0.43 0.00 0.00 31.60 33.19 3a1n h MET 210 CO 0.64 0.00 0.50 -1.00 -0.40 0.00 0.00 176.91 176.65 3a1n h PRO 211 N 0.01 0.55 0.01 0.39 0.13 -1.94 0.94 132.00 132.08 3a1n h PRO 211 Ca 0.47 -0.03 -0.20 0.00 -0.87 0.00 0.00 66.00 65.37 3a1n h PRO 211 Cb 0.77 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.75 3a1n h PRO 211 CO -0.94 0.36 -0.93 -0.44 -0.23 0.00 0.00 178.00 175.82 3a1n h ASP 212 N 0.57 0.07 -0.46 1.44 3.32 -1.36 -2.39 116.42 117.61 3a1n h ASP 212 Ca 0.36 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 3a1n h ASP 212 Cb 0.62 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3a1n h ASP 212 CO -0.13 0.96 -0.07 0.00 -1.72 0.00 0.00 179.24 178.28 3a1n h ALA 213 N 1.03 0.63 -0.02 3.45 0.00 -0.35 -1.33 119.26 122.67 3a1n h ALA 213 Ca -0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3a1n h ALA 213 Cb 1.63 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 3a1n h ALA 213 CO 0.13 0.49 0.00 -0.07 0.00 0.00 0.00 179.25 179.80 3a1n h LEU 214 N 0.70 0.04 -1.16 0.00 3.38 -0.88 -2.40 115.31 114.99 3a1n h LEU 214 Ca 0.12 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.86 3a1n h LEU 214 Cb 0.61 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 3a1n h LEU 214 CO 0.04 0.31 0.58 0.50 0.09 0.00 0.00 178.44 179.96 3a1n h LYS 215 N -0.24 1.02 -0.50 1.13 3.64 -1.41 -1.77 116.57 118.44 3a1n h LYS 215 Ca 0.01 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 3a1n h LYS 215 Cb 0.29 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3a1n h LYS 215 CO 0.00 0.67 0.09 0.00 -2.27 0.00 0.00 179.45 177.94 3a1n h ALA 216 N 1.50 0.67 -0.58 5.00 0.00 -1.13 0.23 119.26 124.95 3a1n h ALA 216 Ca 0.37 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3a1n h ALA 216 Cb 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3a1n h ALA 216 CO -0.13 0.39 0.20 1.25 0.00 0.00 0.00 179.25 180.96 3a1n h LEU 217 N 0.71 0.83 -0.41 0.00 5.85 -0.92 -1.09 115.31 120.28 3a1n h LEU 217 Ca 0.15 -0.20 -0.18 0.00 0.84 0.00 0.00 57.88 58.49 3a1n h LEU 217 Cb 0.39 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3a1n h LEU 217 CO 0.01 0.81 -0.76 -0.37 -0.34 0.00 0.00 178.44 177.78 3a1n h VAL 218 N 0.81 1.42 -0.72 1.05 -1.51 -1.20 -1.89 116.25 114.22 3a1n h VAL 218 Ca 0.19 -2.28 -0.06 0.00 -1.23 0.00 0.00 66.70 63.32 3a1n h VAL 218 Cb 0.26 2.22 -0.03 0.00 -2.13 0.00 0.00 31.29 31.61 3a1n h VAL 218 CO -0.01 0.67 0.21 0.44 -1.23 0.00 0.00 177.57 177.66 3a1n h ASP 219 N 0.20 1.05 -0.54 4.19 3.45 -0.35 -0.78 116.42 123.63 3a1n h ASP 219 Ca -0.03 -0.20 -0.08 0.00 0.43 0.00 0.00 57.03 57.14 3a1n h ASP 219 Cb 1.34 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 39.82 3a1n h ASP 219 CO 0.12 0.98 0.03 0.25 -1.57 0.00 0.00 179.24 179.05 3a1n h LEU 220 N 1.07 0.92 -0.64 1.55 5.85 -1.09 -0.45 115.31 122.52 3a1n h LEU 220 Ca 0.23 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.71 3a1n h LEU 220 Cb 0.32 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 3a1n h LEU 220 CO -0.01 0.99 0.36 0.22 -0.34 0.00 0.00 178.44 179.66 3a1n h TYR 221 N 0.82 0.66 -0.00 1.25 3.20 -0.78 -2.72 116.97 119.40 3a1n h TYR 221 Ca 0.16 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3a1n h TYR 221 Cb 0.50 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.57 3a1n h TYR 221 CO 0.04 0.33 -0.25 0.39 -1.64 0.00 0.00 178.16 177.02 3a1n n GLU 222 N -4.79 0.36 -1.48 1.82 1.02 -0.35 -4.98 120.64 112.24 3a1n n GLU 222 Ca 0.08 -0.16 -0.40 0.00 -0.02 0.00 0.00 57.16 56.66 3a1n n GLU 222 Cb 0.16 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.10 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 -1.18 -1.07 -1.99 0.62 0.00 -0.20 -4.90 120.51 111.79 3a1n n ALA 223 Ca 0.10 0.08 -0.42 0.00 0.00 0.00 0.00 53.44 53.20 3a1n n ALA 223 Cb 0.32 -1.85 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 3a1n n ALA 223 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3a1n s ASP 224 N -1.03 6.77 0.39 0.00 1.01 -1.26 -4.91 116.67 117.65 3a1n s ASP 224 Ca 0.66 2.49 0.09 0.00 0.71 0.00 0.00 52.55 56.50 3a1n s ASP 224 Cb -0.52 -2.61 0.80 0.00 1.01 0.00 0.00 42.92 41.60 3a1n s ASP 224 CO 0.56 -0.64 1.94 0.03 0.21 0.00 0.00 175.17 177.27 3a1n h ARG 225 N 5.72 0.30 0.00 8.23 3.08 -1.97 -2.83 114.38 126.91 3a1n h ARG 225 Ca -0.44 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.52 3a1n h ARG 225 Cb 1.21 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 3a1n h ARG 225 CO 0.81 0.38 -0.15 0.38 -1.07 0.00 0.00 179.97 180.31 3a1n h ASP 226 N 0.29 0.00 0.45 7.04 2.03 -1.98 -2.71 116.42 121.55 3a1n h ASP 226 Ca 0.06 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.36 3a1n h ASP 226 Cb 0.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.79 3a1n h ASP 226 CO 0.01 0.15 -0.77 0.29 -1.03 0.00 0.00 179.24 177.90 3a1n n LYS 227 N -4.02 0.14 -2.43 4.15 4.76 -1.07 -4.75 118.16 114.94 3a1n n LYS 227 Ca -0.02 0.01 -0.40 0.00 -2.87 0.00 0.00 58.31 55.02 3a1n n LYS 227 Cb 0.24 -1.56 -0.01 0.00 -1.84 0.00 0.00 35.03 31.86 3a1n n LYS 227 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3a1n n LEU 228 N -1.74 4.69 -0.05 -0.35 4.77 -1.02 -4.70 117.00 118.60 3a1n n LEU 228 Ca 0.04 -3.79 -0.18 0.00 -0.03 0.00 0.00 56.01 52.05 3a1n n LEU 228 Cb 0.38 -1.74 -0.13 0.00 -2.33 0.00 0.00 43.42 39.60 3a1n n LEU 228 CO 0.38 -0.16 0.04 1.62 -1.33 0.00 0.00 177.39 177.93 3a1n h VAL 229 N 5.59 1.47 -0.17 4.08 3.04 -1.86 -3.36 116.25 125.04 3a1n h VAL 229 Ca 0.41 -2.35 -0.08 0.00 -1.01 0.00 0.00 66.70 63.67 3a1n h VAL 229 Cb 0.87 3.03 -0.00 0.00 -2.01 0.00 0.00 31.29 33.18 3a1n h VAL 229 CO 1.44 0.58 -0.19 0.25 -1.01 0.00 0.00 177.57 178.64 3a1n h LEU 230 N -0.80 0.46 0.00 3.16 6.46 -1.97 -3.46 115.31 119.17 3a1n h LEU 230 Ca -0.14 -0.49 0.00 0.00 -0.12 0.00 0.00 57.88 57.13 3a1n h LEU 230 Cb 1.27 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 41.07 3a1n h LEU 230 CO -0.01 0.86 0.00 -1.14 -0.62 0.00 0.00 178.44 177.53 3a1n n ARG 231 N -4.48 0.00 -5.16 1.25 0.63 -1.26 -4.76 116.66 102.87 3a1n n ARG 231 Ca -0.06 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.56 3a1n n ARG 231 Cb 0.40 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.15 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 3.17 0.00 6.15 0.01 -1.26 -2.59 114.94 120.41 3a1n s ASN 232 Ca 0.00 -0.48 0.00 0.00 -0.71 0.00 0.00 52.86 51.67 3a1n s ASN 232 Cb 0.00 -0.37 0.00 0.00 0.41 0.00 0.00 41.25 41.29 3a1n s ASN 232 CO 0.00 0.31 0.00 0.61 -1.51 0.00 0.00 177.10 176.51 3a1n n GLY 233 N 2.24 0.79 3.65 0.66 0.00 -0.88 -4.93 105.19 106.73 3a1n n GLY 233 Ca -0.16 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 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 1.69 0.42 1.61 2.02 -1.02 -4.64 117.35 115.43 3a1n s TYR 234 Ca 0.00 0.09 -0.25 0.00 -0.37 0.00 0.00 57.07 56.54 3a1n s TYR 234 Cb 0.00 -4.03 -0.08 0.00 -0.40 0.00 0.00 41.96 37.45 3a1n s TYR 234 CO 0.00 -4.26 1.19 -0.80 -1.57 0.00 0.00 175.55 170.12 3a1n s ASN 235 N 4.40 6.34 -0.12 2.29 0.01 -1.26 0.95 114.94 127.55 3a1n s ASN 235 Ca 0.81 2.40 -0.08 0.00 -0.71 0.00 0.00 52.86 55.27 3a1n s ASN 235 Cb -0.35 -2.62 0.04 0.00 0.41 0.00 0.00 41.25 38.74 3a1n s ASN 235 CO 0.34 -0.80 0.29 0.54 -1.51 0.00 0.00 177.10 175.96 3a1n s VAL 236 N -1.42 -0.02 0.31 1.60 0.11 -1.09 -4.54 120.40 115.36 3a1n s VAL 236 Ca 0.59 0.06 -0.19 0.00 -2.93 0.00 0.00 61.98 59.52 3a1n s VAL 236 Cb -0.32 -0.43 0.03 0.00 -1.53 0.00 0.00 36.38 34.14 3a1n s VAL 236 CO 0.39 0.03 0.75 0.28 -3.33 0.00 0.00 175.10 173.22 3a1n s THR 237 N 0.72 0.00 0.00 5.04 -1.32 -1.26 -3.89 115.64 114.93 3a1n s THR 237 Ca -0.05 -1.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.44 3a1n s THR 237 Cb -0.06 -2.29 0.00 0.00 -1.51 0.00 0.00 72.50 68.64 3a1n s THR 237 CO -0.05 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.36 3a1n n ALA 238 N -0.48 2.52 -3.84 11.08 0.00 -0.72 -4.93 120.51 124.14 3a1n n ALA 238 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.31 3a1n n ALA 238 Cb 0.59 0.33 -0.00 0.00 0.00 0.00 0.00 19.45 20.37 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 -1.84 -0.06 -0.02 0.00 -0.85 -0.90 -4.93 117.35 108.75 3a1n s TYR 239 Ca 0.00 -0.47 0.02 0.00 -0.52 0.00 0.00 57.07 56.10 3a1n s TYR 239 Cb 0.00 0.76 0.00 0.00 0.38 0.00 0.00 41.96 43.10 3a1n s TYR 239 CO 0.00 -1.35 -0.06 0.99 -1.52 0.00 0.00 175.55 173.61 3a1n s THR 240 N -3.24 0.58 0.20 -3.49 2.01 -1.26 0.03 115.64 110.46 3a1n s THR 240 Ca 0.13 -0.25 -0.17 0.00 0.31 0.00 0.00 61.69 61.71 3a1n s THR 240 Cb -0.05 -0.53 0.03 0.00 0.01 0.00 0.00 72.50 71.96 3a1n s THR 240 CO 0.08 0.19 0.51 0.72 -0.69 0.00 0.00 174.62 175.44 3a1n s PHE 241 N 0.22 -0.09 0.29 4.92 -0.12 -0.84 -4.93 117.98 117.43 3a1n s PHE 241 Ca -0.03 -0.25 0.07 0.00 -0.05 0.00 0.00 56.93 56.67 3a1n s PHE 241 Cb -0.07 0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 42.66 3a1n s PHE 241 CO -0.00 -0.91 0.31 0.95 -0.05 0.00 0.00 175.22 175.52 3a1n s THR 242 N -3.88 4.26 0.22 -4.49 -4.23 -1.26 -1.88 115.64 104.38 3a1n s THR 242 Ca 0.10 -1.24 -0.10 0.00 -1.18 0.00 0.00 61.69 59.28 3a1n s THR 242 Cb -0.01 -3.43 0.17 0.00 1.34 0.00 0.00 72.50 70.58 3a1n s THR 242 CO -0.02 -0.26 1.89 -0.65 -0.54 0.00 0.00 174.62 175.04 3a1n h PRO 243 N 1.24 1.04 -0.60 3.99 0.11 -1.72 -1.30 132.00 134.76 3a1n h PRO 243 Ca -0.47 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3a1n h PRO 243 Cb 1.24 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 3a1n h PRO 243 CO 0.58 0.69 0.38 0.66 -0.21 0.00 0.00 178.00 180.10 3a1n h SER 244 N 1.07 0.70 -0.05 -2.05 4.64 -1.79 -0.37 113.55 115.71 3a1n h SER 244 Ca 0.29 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.57 3a1n h SER 244 Cb -0.12 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 61.80 3a1n h SER 244 CO -0.07 0.52 -0.03 -0.33 -0.87 0.00 0.00 176.83 176.06 3a1n h GLU 245 N 0.82 0.10 -0.84 4.77 5.08 -1.60 -1.67 114.58 121.24 3a1n h GLU 245 Ca 0.22 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3a1n h GLU 245 Cb -0.07 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 3a1n h GLU 245 CO -0.04 0.51 0.55 1.25 -1.00 0.00 0.00 179.01 180.27 3a1n h LEU 246 N -0.31 0.92 -0.13 1.33 5.85 -0.98 -1.71 115.31 120.27 3a1n h LEU 246 Ca 0.01 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3a1n h LEU 246 Cb 0.49 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 3a1n h LEU 246 CO 0.01 0.65 -0.16 0.22 -0.34 0.00 0.00 178.44 178.81 3a1n h TYR 247 N 1.08 -0.42 -0.69 1.25 3.20 -0.98 -0.41 116.97 120.01 3a1n h TYR 247 Ca 0.32 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.24 3a1n h TYR 247 Cb -0.05 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 3a1n h TYR 247 CO -0.02 -0.23 0.44 1.03 -1.64 0.00 0.00 178.16 177.73 3a1n h SER 248 N -0.20 0.72 -0.58 -2.11 0.87 -0.81 0.27 113.55 111.71 3a1n h SER 248 Ca 0.09 -0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.57 3a1n h SER 248 Cb 0.34 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 3a1n h SER 248 CO -0.25 0.50 0.04 0.11 -0.53 0.00 0.00 176.83 176.71 3a1n h LYS 249 N 0.86 1.02 -0.39 2.24 1.57 -0.97 -1.48 116.57 119.41 3a1n h LYS 249 Ca 0.27 -0.29 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 3a1n h LYS 249 Cb 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3a1n h LYS 249 CO -0.10 0.97 -0.29 0.82 -0.57 0.00 0.00 179.45 180.28 3a1n h ILE 250 N 0.95 1.27 -0.29 1.86 2.04 -0.64 -2.65 117.51 120.05 3a1n h ILE 250 Ca 0.18 -1.44 0.05 0.00 1.00 0.00 0.00 64.86 64.65 3a1n h ILE 250 Cb 0.49 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3a1n h ILE 250 CO 0.02 0.48 0.20 0.11 0.00 0.00 0.00 178.15 178.96 3a1n h LYS 251 N 0.72 0.17 0.00 2.37 1.79 0.12 0.91 116.57 122.65 3a1n h LYS 251 Ca 0.08 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 3a1n h LYS 251 Cb 0.84 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.45 3a1n h LYS 251 CO 0.07 0.11 -0.04 0.93 -1.08 0.00 0.00 179.45 179.45 3a1n h GLU 252 N 0.18 0.00 0.00 3.15 5.08 -0.91 -2.21 114.58 119.87 3a1n h GLU 252 Ca 0.13 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.13 3a1n h GLU 252 Cb 0.28 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 3a1n h GLU 252 CO -0.02 0.04 -2.35 0.54 -1.00 0.00 0.00 179.01 176.22 3a1n n ARG 253 N -3.54 0.78 -3.56 2.33 1.74 0.13 -4.79 116.66 109.76 3a1n n ARG 253 Ca -0.02 0.03 -0.29 0.00 -0.77 0.00 0.00 57.85 56.80 3a1n n ARG 253 Cb 0.14 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 29.96 3a1n n ARG 253 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3a1n s ILE 254 N -2.48 0.84 0.28 0.55 1.01 -0.16 -5.00 121.20 116.25 3a1n s ILE 254 Ca -0.15 -2.45 0.26 0.00 0.00 0.00 0.00 60.65 58.31 3a1n s ILE 254 Cb 0.06 -1.59 0.26 0.00 0.01 0.00 0.00 42.46 41.21 3a1n s ILE 254 CO 0.74 -1.02 1.95 1.55 0.00 0.00 0.00 174.94 178.16 3a1n h PRO 255 N 6.43 0.00 -2.34 2.79 0.13 -1.68 -3.32 132.00 134.02 3a1n h PRO 255 Ca 0.10 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.68 3a1n h PRO 255 Cb 0.92 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.94 3a1n h PRO 255 CO 0.40 0.17 1.39 0.39 -0.23 0.00 0.00 178.00 180.12 3a1n n GLU 256 N -3.50 3.22 -3.71 0.86 4.71 -1.26 -4.81 120.64 116.14 3a1n n GLU 256 Ca -0.01 -2.44 -0.14 0.00 -0.01 0.00 0.00 57.16 54.56 3a1n n GLU 256 Cb 0.33 -2.37 -0.09 0.00 -1.01 0.00 0.00 31.44 28.31 3a1n n GLU 256 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 3a1n s PHE 257 N -0.51 -0.39 0.22 -0.32 5.36 -1.25 -4.52 117.98 116.57 3a1n s PHE 257 Ca 0.60 0.85 0.04 0.00 -0.96 0.00 0.00 56.93 57.46 3a1n s PHE 257 Cb 0.28 0.17 -0.01 0.00 -0.34 0.00 0.00 43.02 43.11 3a1n s PHE 257 CO -0.12 -0.33 0.13 -0.85 -1.46 0.00 0.00 175.22 172.59 3a1n n GLU 258 N 2.08 0.48 -3.66 10.12 0.28 -1.26 -4.99 120.64 123.70 3a1n n GLU 258 Ca -0.17 -2.05 -0.14 0.00 -0.16 0.00 0.00 57.16 54.63 3a1n n GLU 258 Cb 0.57 1.40 -0.07 0.00 1.43 0.00 0.00 31.44 34.76 3a1n n GLU 258 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 3a1n s ILE 259 N -2.65 0.04 0.10 3.84 2.07 -1.26 -1.14 121.20 122.20 3a1n s ILE 259 Ca 0.18 -0.33 0.04 0.00 -1.41 0.00 0.00 60.65 59.14 3a1n s ILE 259 Cb 0.01 -0.83 -0.04 0.00 0.13 0.00 0.00 42.46 41.74 3a1n s ILE 259 CO 0.13 -0.18 -0.10 -1.83 -1.91 0.00 0.00 174.94 171.05 3a1n s GLU 260 N -1.65 0.85 -0.23 3.50 -1.05 -0.47 -4.93 118.70 114.73 3a1n s GLU 260 Ca -0.10 -1.14 -0.01 0.00 -0.15 0.00 0.00 54.97 53.56 3a1n s GLU 260 Cb -0.02 -0.57 0.02 0.00 -0.44 0.00 0.00 34.13 33.12 3a1n s GLU 260 CO 0.04 0.09 -0.10 0.71 0.95 0.00 0.00 175.26 176.95 3a1n s TYR 261 N -2.34 3.00 -0.48 4.83 1.51 -1.26 -0.34 117.35 122.26 3a1n s TYR 261 Ca 0.05 -1.56 0.03 0.00 -1.01 0.00 0.00 57.07 54.58 3a1n s TYR 261 Cb -0.03 -2.02 0.16 0.00 -0.11 0.00 0.00 41.96 39.95 3a1n s TYR 261 CO 0.00 -0.74 0.33 0.21 -1.11 0.00 0.00 175.55 174.25 3a1n s LYS 262 N 1.32 1.31 0.50 -0.62 2.20 0.09 -4.97 119.74 119.57 3a1n s LYS 262 Ca 0.01 -2.26 -0.23 0.00 -0.36 0.00 0.00 55.97 53.13 3a1n s LYS 262 Cb -0.16 -2.09 -0.06 0.00 -1.51 0.00 0.00 37.83 34.01 3a1n s LYS 262 CO -0.06 -1.28 1.36 -1.21 -0.36 0.00 0.00 175.35 173.80 3a1n s GLU 263 N -0.07 3.41 0.00 4.03 8.01 -1.26 -4.21 118.70 128.61 3a1n s GLU 263 Ca 0.25 2.26 0.00 0.00 0.01 0.00 0.00 54.97 57.49 3a1n s GLU 263 Cb -0.09 -2.43 0.00 0.00 -4.31 0.00 0.00 34.13 27.30 3a1n s GLU 263 CO -0.11 -0.98 0.00 -0.40 0.01 0.00 0.00 175.26 173.78 3a1n n ASP 264 N -0.64 0.93 0.24 -0.19 5.68 -1.01 -5.01 116.55 116.54 3a1n n ASP 264 Ca 0.08 -0.27 0.15 0.00 -0.50 0.00 0.00 54.79 54.25 3a1n n ASP 264 Cb 0.44 0.00 0.84 0.00 -1.14 0.00 0.00 41.12 41.26 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 0.27 0.00 0.00 2.11 -5.15 -1.97 -1.88 116.94 110.32 3a1n h PHE 265 Ca 0.00 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.73 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 -0.20 0.00 -2.00 0.00 0.00 178.31 176.11 3a1n h ARG 266 N 0.00 0.00 -0.00 6.09 3.08 -1.96 -1.81 114.38 119.77 3a1n h ARG 266 Ca 0.05 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.95 3a1n h ARG 266 Cb 0.26 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3a1n h ARG 266 CO -0.00 0.20 -0.68 0.22 -1.07 0.00 0.00 179.97 178.64 3a1n h ASP 267 N 0.00 0.03 -0.24 7.04 3.58 -1.49 -1.32 116.42 124.01 3a1n h ASP 267 Ca -0.00 -0.02 -0.10 0.00 0.42 0.00 0.00 57.03 57.33 3a1n h ASP 267 Cb 0.45 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 3a1n h ASP 267 CO 0.03 0.70 -0.17 0.11 -2.88 0.00 0.00 179.24 177.02 3a1n h LYS 268 N 0.01 0.68 0.29 0.28 1.79 -1.41 -0.98 116.57 117.23 3a1n h LYS 268 Ca -0.01 -0.24 -0.01 0.00 -2.18 0.00 0.00 60.65 58.21 3a1n h LYS 268 Cb 1.20 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 3a1n h LYS 268 CO 0.09 0.81 -0.14 0.82 -1.08 0.00 0.00 179.45 179.95 3a1n h ILE 269 N 0.61 0.72 -0.74 1.86 2.04 -1.15 -3.13 117.51 117.72 3a1n h ILE 269 Ca 0.10 -0.59 0.14 0.00 1.00 0.00 0.00 64.86 65.51 3a1n h ILE 269 Cb 0.63 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 3a1n h ILE 269 CO 0.04 0.12 0.49 0.00 0.00 0.00 0.00 178.15 178.80 3a1n h ALA 270 N -0.15 2.07 0.00 1.87 0.00 -1.14 -0.70 119.26 121.21 3a1n h ALA 270 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3a1n h ALA 270 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3a1n h ALA 270 CO 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.05 3a1n h ALA 271 N 1.65 1.00 -0.11 0.00 0.00 -1.12 -1.46 119.26 119.23 3a1n h ALA 271 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3a1n h ALA 271 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3a1n h ALA 271 CO -0.12 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.38 3a1n n THR 272 N -3.01 0.12 -4.03 0.00 -2.24 -0.27 -4.88 114.28 99.97 3a1n n THR 272 Ca -0.01 -0.39 -0.22 0.00 -2.27 0.00 0.00 64.05 61.15 3a1n n THR 272 Cb 0.16 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.88 3.29 0.76 4.78 0.51 -0.55 -3.12 118.94 122.73 3a1n s TRP 273 Ca 0.34 -0.04 -0.11 0.00 -2.12 0.00 0.00 56.10 54.17 3a1n s TRP 273 Cb 0.20 -1.51 0.05 0.00 -0.81 0.00 0.00 33.47 31.40 3a1n s TRP 273 CO 0.31 0.49 1.09 -1.25 -0.51 0.00 0.00 176.95 177.07 3a1n s PRO 274 N -3.75 2.41 -0.04 4.98 0.04 -1.26 -4.98 135.00 132.41 3a1n s PRO 274 Ca 0.33 0.71 -0.10 0.00 0.04 0.00 0.00 61.00 61.98 3a1n s PRO 274 Cb -0.09 -1.95 -0.30 0.00 0.04 0.00 0.00 34.50 32.20 3a1n s PRO 274 CO 0.27 -1.41 0.72 0.93 0.04 0.00 0.00 177.00 177.55 3a1n h GLU 275 N -0.93 0.38 -4.00 4.56 5.08 -0.56 -3.40 114.58 115.70 3a1n h GLU 275 Ca -0.46 -0.64 -0.12 0.00 -1.00 0.00 0.00 59.36 57.13 3a1n h GLU 275 Cb 1.25 0.24 -0.17 0.00 0.50 0.00 0.00 28.75 30.57 3a1n h GLU 275 CO 0.59 1.29 -0.59 -1.54 -1.00 0.00 0.00 179.01 177.76 3a1n s SER 276 N -7.25 0.31 0.29 1.42 1.04 -0.91 -2.05 113.70 106.54 3a1n s SER 276 Ca -0.14 -0.73 0.11 0.00 0.48 0.00 0.00 55.95 55.67 3a1n s SER 276 Cb 0.06 0.21 -0.05 0.00 0.10 0.00 0.00 66.02 66.34 3a1n s SER 276 CO 0.86 -0.55 -0.13 -0.76 0.98 0.00 0.00 173.24 173.64 3a1n s LEU 277 N -2.45 2.76 -0.27 2.42 1.43 -1.26 -2.04 118.68 119.28 3a1n s LEU 277 Ca -0.00 -0.95 -0.06 0.00 -1.03 0.00 0.00 54.13 52.09 3a1n s LEU 277 Cb 0.02 -1.25 -0.00 0.00 0.03 0.00 0.00 46.19 44.99 3a1n s LEU 277 CO -0.07 -0.00 0.04 -0.62 0.23 0.00 0.00 176.35 175.93 3a1n s ASP 278 N -3.57 4.90 -0.30 2.29 2.15 0.00 -4.60 116.67 117.54 3a1n s ASP 278 Ca 0.31 -0.54 0.10 0.00 0.43 0.00 0.00 52.55 52.85 3a1n s ASP 278 Cb -0.04 -1.85 0.60 0.00 -0.30 0.00 0.00 42.92 41.33 3a1n s ASP 278 CO 0.17 -0.12 1.62 -1.54 -0.17 0.00 0.00 175.17 175.13 3a1n n SER 279 N 4.85 3.59 -0.18 -0.34 3.41 -1.26 -4.50 113.62 119.19 3a1n n SER 279 Ca -0.16 -3.44 -0.05 0.00 -0.26 0.00 0.00 58.87 54.96 3a1n n SER 279 Cb 0.49 -0.68 0.05 0.00 -0.26 0.00 0.00 64.21 63.81 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 1.60 0.47 -0.75 4.04 0.02 -1.94 -2.75 113.55 114.24 3a1n h SER 280 Ca 0.25 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.27 3a1n h SER 280 Cb 1.98 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 64.38 3a1n h SER 280 CO 0.56 0.33 0.45 -0.33 -1.14 0.00 0.00 176.83 176.70 3a1n h GLU 281 N 0.60 0.80 -0.33 3.45 5.08 -1.91 0.69 114.58 122.95 3a1n h GLU 281 Ca 0.22 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 3a1n h GLU 281 Cb 0.06 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3a1n h GLU 281 CO -0.11 0.53 0.10 0.00 -1.00 0.00 0.00 179.01 178.53 3a1n h ALA 282 N 1.37 0.43 -0.70 3.43 0.00 -1.77 0.10 119.26 122.11 3a1n h ALA 282 Ca 0.33 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3a1n h ALA 282 Cb 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3a1n h ALA 282 CO -0.17 0.07 0.22 0.77 0.00 0.00 0.00 179.25 180.13 3a1n h SER 283 N 0.37 1.01 0.02 0.00 0.02 -1.15 -1.14 113.55 112.69 3a1n h SER 283 Ca 0.11 -0.19 -0.24 0.00 -0.84 0.00 0.00 61.79 60.63 3a1n h SER 283 Cb 0.25 -0.26 0.02 0.00 0.14 0.00 0.00 62.40 62.55 3a1n h SER 283 CO -0.00 0.94 -0.95 -1.13 -1.14 0.00 0.00 176.83 174.55 3a1n h ASN 284 N 1.04 0.80 0.80 3.07 -1.24 -0.73 -1.65 115.58 117.67 3a1n h ASN 284 Ca 0.23 -0.76 -0.24 0.00 0.71 0.00 0.00 56.30 56.23 3a1n h ASN 284 Cb 0.30 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.07 3a1n h ASN 284 CO -0.01 1.46 -1.22 -0.33 -1.29 0.00 0.00 177.43 176.05 3a1n h GLU 285 N 0.23 0.07 0.00 6.67 5.08 -0.79 -3.40 114.58 122.43 3a1n h GLU 285 Ca -0.12 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3a1n h GLU 285 Cb 1.63 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.92 3a1n h GLU 285 CO 0.19 0.96 -0.42 -2.67 -1.00 0.00 0.00 179.01 176.06 3a1n n TRP 286 N -3.33 0.00 -1.14 4.33 4.27 -0.46 -4.47 117.44 116.63 3a1n n TRP 286 Ca -0.06 0.00 -0.05 0.00 -3.89 0.00 0.00 57.50 53.50 3a1n n TRP 286 Cb 0.98 -0.03 -0.02 0.00 -1.36 0.00 0.00 31.31 30.88 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 0.00 0.74 3.58 -1.67 0.00 -0.62 -4.84 105.19 102.38 3a1n n GLY 287 Ca 0.00 -0.63 -0.51 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.80 1.37 -3.77 1.61 7.35 -1.07 -4.86 117.46 115.30 3a1n n PHE 288 Ca -0.05 0.67 -0.10 0.00 -0.76 0.00 0.00 57.45 57.22 3a1n n PHE 288 Cb 0.19 -2.30 -0.06 0.00 0.35 0.00 0.00 39.48 37.65 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 0.25 -0.04 -0.13 -2.13 1.04 -1.26 -4.28 113.70 107.15 3a1n s SER 289 Ca 0.80 -0.45 -0.01 0.00 0.48 0.00 0.00 55.95 56.77 3a1n s SER 289 Cb -0.92 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 65.56 3a1n s SER 289 CO 0.49 -0.74 -0.09 -0.63 0.98 0.00 0.00 173.24 173.25 3a1n s ILE 290 N -3.54 3.40 -0.09 -1.02 -1.09 -1.26 -4.89 121.20 112.71 3a1n s ILE 290 Ca 0.02 -0.54 0.19 0.00 -2.23 0.00 0.00 60.65 58.09 3a1n s ILE 290 Cb 0.03 -2.44 -0.28 0.00 -1.58 0.00 0.00 42.46 38.18 3a1n s ILE 290 CO -0.10 0.52 0.30 -0.62 -1.23 0.00 0.00 174.94 173.82 3a1n n GLU 291 N 3.36 0.73 -3.82 2.79 1.02 -1.26 -4.87 120.64 118.59 3a1n n GLU 291 Ca -0.18 -0.12 -0.36 0.00 -0.02 0.00 0.00 57.16 56.48 3a1n n GLU 291 Cb 0.53 -1.48 -0.12 0.00 -0.02 0.00 0.00 31.44 30.34 3a1n n GLU 291 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3a1n s TYR 292 N -3.06 3.47 0.86 -0.32 1.51 -1.26 -5.05 117.35 113.50 3a1n s TYR 292 Ca -0.08 -2.18 -0.15 0.00 -1.01 0.00 0.00 57.07 53.65 3a1n s TYR 292 Cb 0.10 -2.80 0.20 0.00 -0.11 0.00 0.00 41.96 39.35 3a1n s TYR 292 CO 0.82 -0.90 1.04 -0.40 -1.11 0.00 0.00 175.55 175.00 3a1n n ASP 293 N 4.61 -0.44 -0.14 2.29 5.75 -1.26 -4.72 116.55 122.64 3a1n n ASP 293 Ca -0.06 -1.30 -0.04 0.00 -0.01 0.00 0.00 54.79 53.37 3a1n n ASP 293 Cb 0.42 -0.83 0.04 0.00 -1.03 0.00 0.00 41.12 39.72 3a1n n ASP 293 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3a1n h LEU 294 N 0.00 0.16 -0.25 -2.12 5.85 -1.99 -2.05 115.31 114.92 3a1n h LEU 294 Ca -0.35 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 3a1n h LEU 294 Cb 0.99 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3a1n h LEU 294 CO 0.24 0.13 0.11 0.44 -0.34 0.00 0.00 178.44 179.02 3a1n h ASP 295 N 0.33 0.33 -0.36 1.25 3.45 -1.99 -0.97 116.42 118.46 3a1n h ASP 295 Ca 0.21 -0.14 -0.02 0.00 0.43 0.00 0.00 57.03 57.50 3a1n h ASP 295 Cb 0.20 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 38.86 3a1n h ASP 295 CO -0.21 0.38 0.16 0.03 -1.57 0.00 0.00 179.24 178.03 3a1n h ARG 296 N 0.26 0.58 -0.11 3.56 3.08 -1.88 -1.06 114.38 118.81 3a1n h ARG 296 Ca 0.08 -0.08 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 3a1n h ARG 296 Cb 0.15 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.10 3a1n h ARG 296 CO -0.01 0.49 -0.66 0.00 -1.07 0.00 0.00 179.97 178.72 3a1n h THR 297 N 0.58 1.33 -0.22 2.04 1.03 -1.12 -1.27 112.91 115.28 3a1n h THR 297 Ca 0.14 -1.93 0.01 0.00 -0.01 0.00 0.00 66.41 64.62 3a1n h THR 297 Cb 0.13 2.16 -0.02 0.00 -1.07 0.00 0.00 68.15 69.36 3a1n h THR 297 CO -0.01 0.59 0.11 0.40 -0.01 0.00 0.00 175.52 176.60 3a1n h ILE 298 N 0.28 1.00 -0.38 0.00 2.04 -0.87 0.21 117.51 119.79 3a1n h ILE 298 Ca -0.05 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 3a1n h ILE 298 Cb 1.30 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 3a1n h ILE 298 CO 0.13 0.04 -0.17 0.44 0.00 0.00 0.00 178.15 178.59 3a1n h ASP 299 N 0.24 0.70 0.05 1.72 3.32 -1.23 -0.87 116.42 120.34 3a1n h ASP 299 Ca 0.09 -0.23 -0.17 0.00 0.02 0.00 0.00 57.03 56.75 3a1n h ASP 299 Cb 0.02 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3a1n h ASP 299 CO -0.06 0.88 -0.58 -0.78 -1.72 0.00 0.00 179.24 176.98 3a1n h ASP 300 N 0.63 0.61 -0.17 6.45 1.82 -1.02 -2.19 116.42 122.55 3a1n h ASP 300 Ca 0.10 -0.34 -0.03 0.00 -0.39 0.00 0.00 57.03 56.37 3a1n h ASP 300 Cb 0.65 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.47 3a1n h ASP 300 CO 0.05 1.06 -0.01 0.24 -1.61 0.00 0.00 179.24 178.96 3a1n h MET 301 N 0.41 0.31 -0.74 0.28 2.86 -0.77 -0.86 114.93 116.43 3a1n h MET 301 Ca 0.00 -0.10 0.07 0.00 -2.06 0.00 0.00 59.70 57.61 3a1n h MET 301 Cb 1.13 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.70 3a1n h MET 301 CO 0.11 0.54 0.42 0.82 1.06 0.00 0.00 176.91 179.86 3a1n h ILE 302 N 0.04 0.96 0.73 -1.22 2.04 -1.16 0.34 117.51 119.23 3a1n h ILE 302 Ca 0.05 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 3a1n h ILE 302 Cb 0.41 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3a1n h ILE 302 CO 0.01 0.14 -0.40 -0.78 0.00 0.00 0.00 178.15 177.12 3a1n h ASP 303 N 0.75 -0.97 -0.50 1.72 3.58 -1.17 0.67 116.42 120.49 3a1n h ASP 303 Ca 0.34 0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.75 3a1n h ASP 303 Cb 0.23 0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 3a1n h ASP 303 CO -0.20 -0.64 -0.02 0.45 -2.88 0.00 0.00 179.24 175.95 3a1n h HIS 304 N -1.04 0.99 -0.50 0.28 3.86 -0.87 -2.72 115.15 115.15 3a1n h HIS 304 Ca -0.10 -0.18 -0.10 0.00 -1.16 0.00 0.00 60.37 58.84 3a1n h HIS 304 Cb 0.82 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 3a1n h HIS 304 CO -0.06 0.93 -0.08 0.82 0.86 0.00 0.00 177.93 180.40 3a1n h ILE 305 N 0.77 1.26 -0.63 2.45 1.08 -0.34 -0.30 117.51 121.80 3a1n h ILE 305 Ca 0.14 -1.18 0.02 0.00 -0.39 0.00 0.00 64.86 63.46 3a1n h ILE 305 Cb 0.54 0.96 -0.04 0.00 -3.07 0.00 0.00 36.82 35.22 3a1n h ILE 305 CO 0.03 0.41 0.40 0.28 -0.69 0.00 0.00 178.15 178.58 3a1n h SER 306 N 0.81 0.66 1.00 1.72 0.02 -0.74 -0.79 113.55 116.23 3a1n h SER 306 Ca 0.14 -0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.94 3a1n h SER 306 Cb 0.59 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 3a1n h SER 306 CO 0.04 0.47 -0.70 1.05 -1.14 0.00 0.00 176.83 176.54 3a1n h GLU 307 N 0.79 0.00 -0.31 3.45 4.11 -1.32 0.87 114.58 122.17 3a1n h GLU 307 Ca 0.25 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.60 3a1n h GLU 307 Cb -0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3a1n h GLU 307 CO -0.09 0.70 -0.14 -0.22 0.07 0.00 0.00 179.01 179.33 3a1n h LYS 308 N 0.00 0.54 -0.56 1.06 3.64 -0.44 -2.54 116.57 118.25 3a1n h LYS 308 Ca -0.01 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3a1n h LYS 308 Cb 1.39 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 3a1n h LYS 308 CO 0.09 0.67 0.00 1.28 -2.27 0.00 0.00 179.45 179.22 3a1n n LEU 309 N -4.18 3.12 -2.62 5.20 4.77 -0.36 -4.94 117.00 117.99 3a1n n LEU 309 Ca 0.01 -1.56 -0.19 0.00 -0.03 0.00 0.00 56.01 54.24 3a1n n LEU 309 Cb 0.34 -0.40 0.04 0.00 -2.33 0.00 0.00 43.42 41.07 3a1n n LEU 309 CO 0.41 0.70 0.04 0.61 -1.33 0.00 0.00 177.39 177.82 3a1n n GLY 310 N 1.24 -0.29 0.10 -0.72 0.00 -0.96 -4.90 105.19 99.66 3a1n n GLY 310 Ca 0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.19 3a1n n GLY 310 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3a1n h ILE 311 N -1.38 0.72 -2.46 -0.61 1.08 -1.07 -3.42 117.51 110.37 3a1n h ILE 311 Ca -0.44 -2.21 -0.49 0.00 -0.39 0.00 0.00 64.86 61.33 3a1n h ILE 311 Cb 1.30 2.23 -0.37 0.00 -3.07 0.00 0.00 36.82 36.92 3a1n h ILE 311 CO 0.46 0.41 -0.77 -1.83 -0.69 0.00 0.00 178.15 175.74 3a1n s GLU 312 N -2.90 0.42 0.05 2.37 -1.05 -1.22 -5.01 118.70 111.36 3a1n s GLU 312 Ca -0.01 -0.81 -0.05 0.00 -0.15 0.00 0.00 54.97 53.95 3a1n s GLU 312 Cb 0.08 -1.05 -0.03 0.00 -0.44 0.00 0.00 34.13 32.69 3a1n s GLU 312 CO 0.79 -1.12 0.09 0.41 0.95 0.00 0.00 175.26 176.38 3a1n n GLY 313 N 4.65 -0.38 0.35 -3.83 0.00 -1.26 -4.49 105.19 100.22 3a1n n GLY 313 Ca 0.04 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.22 3a1n n GLY 313 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3a1n h LYS 314 N 0.17 0.00 -0.01 1.61 2.10 -1.98 -3.49 116.57 114.97 3a1n h LYS 314 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 3a1n h LYS 314 Cb 0.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 3a1n h LYS 314 CO 0.11 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.28