#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n7g s LYS 29 N 0.00 4.09 -0.13 -0.14 1.02 -1.26 -4.85 119.74 118.46 1n7g s LYS 29 Ca 0.00 1.95 0.02 0.00 0.02 0.00 0.00 55.97 57.96 1n7g s LYS 29 Cb 0.00 -2.76 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 1n7g s LYS 29 CO 0.00 -0.33 -0.20 0.42 -0.92 0.00 0.00 175.35 174.33 1n7g s ILE 30 N -1.33 2.37 -0.04 2.17 1.01 -1.26 -0.97 121.20 123.13 1n7g s ILE 30 Ca 0.56 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 60.37 1n7g s ILE 30 Cb -0.34 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 1n7g s ILE 30 CO 0.43 0.54 -0.22 0.00 0.00 0.00 0.00 174.94 175.69 1n7g s ALA 31 N 0.59 2.34 -0.20 9.38 0.00 -0.64 -0.55 121.76 132.69 1n7g s ALA 31 Ca -0.11 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 50.78 1n7g s ALA 31 Cb -0.16 -0.74 -0.00 0.00 0.00 0.00 0.00 23.12 22.22 1n7g s ALA 31 CO 0.03 0.50 -0.10 -1.17 0.00 0.00 0.00 175.76 175.02 1n7g s LEU 32 N -0.50 2.65 -0.17 0.00 2.96 0.16 -0.87 118.68 122.91 1n7g s LEU 32 Ca 0.06 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 1n7g s LEU 32 Cb -0.11 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 44.93 1n7g s LEU 32 CO 0.01 0.01 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.26 1n7g s ILE 33 N 1.28 2.54 0.11 6.68 1.01 0.25 -0.74 121.20 132.33 1n7g s ILE 33 Ca 0.03 -0.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.78 1n7g s ILE 33 Cb -0.14 -2.08 -0.06 0.00 0.01 0.00 0.00 42.46 40.19 1n7g s ILE 33 CO -0.05 0.51 0.44 0.42 0.00 0.00 0.00 174.94 176.26 1n7g s THR 34 N 0.99 5.04 -0.56 2.92 -4.23 -0.19 -1.49 115.64 118.12 1n7g s THR 34 Ca -0.02 0.50 -0.01 0.00 -1.18 0.00 0.00 61.69 60.99 1n7g s THR 34 Cb -0.15 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.03 1n7g s THR 34 CO -0.03 0.24 0.10 0.61 -0.54 0.00 0.00 174.62 175.00 1n7g n GLY 35 N 0.77 0.18 0.23 3.99 0.00 -1.25 -2.07 105.19 107.04 1n7g n GLY 35 Ca -0.07 -0.54 0.09 0.00 0.00 0.00 0.00 46.02 45.51 1n7g n GLY 35 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1n7g h ILE 36 N -0.23 0.78 0.00 -0.61 2.10 -1.71 -2.69 117.51 115.15 1n7g h ILE 36 Ca -0.17 -0.91 0.00 0.00 1.08 0.00 0.00 64.86 64.86 1n7g h ILE 36 Cb 1.12 1.55 0.00 0.00 -1.09 0.00 0.00 36.82 38.40 1n7g h ILE 36 CO 0.19 0.22 0.00 0.35 -1.08 0.00 0.00 178.15 177.83 1n7g n THR 37 N -3.72 0.11 -2.02 2.19 -2.24 -1.26 -2.75 114.28 104.58 1n7g n THR 37 Ca -0.01 0.03 -0.29 0.00 -2.27 0.00 0.00 64.05 61.50 1n7g n THR 37 Cb 0.34 -0.56 0.19 0.00 -2.10 0.00 0.00 70.33 68.20 1n7g n THR 37 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1n7g s GLY 38 N -2.84 1.81 0.09 3.38 0.00 -1.01 -4.63 107.32 104.12 1n7g s GLY 38 Ca 0.18 -1.38 -0.36 0.00 0.00 0.00 0.00 44.72 43.17 1n7g s GLY 38 CO 0.47 -0.58 1.57 -1.61 0.00 0.00 0.00 173.10 172.95 1n7g h GLN 39 N -1.62 -0.95 -0.75 2.90 4.15 -1.86 -2.04 115.11 114.94 1n7g h GLN 39 Ca -0.43 0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.06 1n7g h GLN 39 Cb 1.22 0.22 -0.04 0.00 0.21 0.00 0.00 27.48 29.09 1n7g h GLN 39 CO 0.33 -0.64 0.50 -0.44 -1.93 0.00 0.00 178.83 176.66 1n7g h ASP 40 N -0.99 0.86 -0.98 -0.69 5.19 -1.93 -2.62 116.42 115.27 1n7g h ASP 40 Ca -0.06 -0.02 0.08 0.00 -0.62 0.00 0.00 57.03 56.41 1n7g h ASP 40 Cb 0.86 -0.21 -0.07 0.00 0.18 0.00 0.00 39.33 40.09 1n7g h ASP 40 CO -0.07 0.62 0.63 1.23 -3.12 0.00 0.00 179.24 178.53 1n7g h GLY 41 N 1.02 1.49 1.55 2.75 0.00 -1.63 0.90 103.07 109.15 1n7g h GLY 41 Ca 0.28 -0.45 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 1n7g h GLY 41 CO -0.06 0.30 -0.32 1.48 0.00 0.00 0.00 176.54 177.94 1n7g h SER 42 N 1.10 0.52 0.10 0.19 4.64 -0.99 -0.98 113.55 118.14 1n7g h SER 42 Ca 0.43 -0.20 -0.27 0.00 -0.47 0.00 0.00 61.79 61.28 1n7g h SER 42 Cb 0.24 -0.14 0.03 0.00 -0.31 0.00 0.00 62.40 62.21 1n7g h SER 42 CO -0.18 0.81 -1.11 1.88 -0.87 0.00 0.00 176.83 177.36 1n7g h TYR 43 N 0.44 0.92 -0.52 4.77 -1.99 -1.23 -2.98 116.97 116.38 1n7g h TYR 43 Ca 0.05 -0.58 -0.05 0.00 2.00 0.00 0.00 58.73 60.16 1n7g h TYR 43 Cb 0.77 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 39.40 1n7g h TYR 43 CO 0.03 1.42 0.14 1.25 -0.00 0.00 0.00 178.16 180.99 1n7g h LEU 44 N 0.16 0.73 0.09 3.88 5.85 -0.79 -0.14 115.31 125.09 1n7g h LEU 44 Ca -0.17 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.43 1n7g h LEU 44 Cb 1.81 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.65 1n7g h LEU 44 CO 0.21 0.71 -0.04 0.74 -0.34 0.00 0.00 178.44 179.72 1n7g h THR 45 N 0.76 0.98 -0.52 1.05 2.02 -1.23 -0.64 112.91 115.34 1n7g h THR 45 Ca 0.17 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 67.11 1n7g h THR 45 Cb 0.26 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 1n7g h THR 45 CO -0.00 0.06 0.33 -0.33 0.37 0.00 0.00 175.52 175.95 1n7g h GLU 46 N -0.24 0.65 -0.48 6.66 5.08 -1.32 0.17 114.58 125.10 1n7g h GLU 46 Ca -0.01 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1n7g h GLU 46 Cb 0.20 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1n7g h GLU 46 CO 0.02 0.43 0.26 0.35 -1.00 0.00 0.00 179.01 179.06 1n7g h PHE 47 N 0.67 0.47 -0.12 4.33 3.57 -0.82 -0.84 116.94 124.21 1n7g h PHE 47 Ca 0.20 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.52 1n7g h PHE 47 Cb -0.04 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.56 1n7g h PHE 47 CO -0.05 0.25 -0.74 -0.07 -2.23 0.00 0.00 178.31 175.48 1n7g h LEU 48 N 0.51 0.68 -0.81 0.59 3.38 -0.88 -2.73 115.31 116.04 1n7g h LEU 48 Ca 0.20 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1n7g h LEU 48 Cb 0.08 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1n7g h LEU 48 CO -0.12 1.20 0.38 -0.07 0.09 0.00 0.00 178.44 179.92 1n7g h LEU 49 N 0.39 1.07 -1.61 1.67 3.38 -0.77 0.17 115.31 119.62 1n7g h LEU 49 Ca -0.04 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1n7g h LEU 49 Cb 1.33 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1n7g h LEU 49 CO 0.14 0.91 0.00 1.23 0.09 0.00 0.00 178.44 180.81 1n7g h GLY 50 N 1.16 0.00 -1.81 0.83 0.00 -1.03 -0.73 103.07 101.49 1n7g h GLY 50 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1n7g h GLY 50 CO -0.03 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.79 1n7g n LYS 51 N -2.68 2.19 -1.16 4.80 4.76 -0.06 -4.92 118.16 121.09 1n7g n LYS 51 Ca -0.00 -1.83 -0.01 0.00 -2.87 0.00 0.00 58.31 53.60 1n7g n LYS 51 Cb 0.17 -1.43 -0.00 0.00 -1.84 0.00 0.00 35.03 31.93 1n7g n LYS 51 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1n7g n GLY 52 N 1.34 0.41 3.90 0.72 0.00 -0.28 -5.01 105.19 106.27 1n7g n GLY 52 Ca 0.18 -1.04 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 1n7g n GLY 52 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n7g s TYR 53 N -2.02 3.54 -0.30 1.61 1.51 -0.53 -4.42 117.35 116.74 1n7g s TYR 53 Ca 0.00 0.93 -0.09 0.00 -1.01 0.00 0.00 57.07 56.90 1n7g s TYR 53 Cb 0.00 -2.49 -0.01 0.00 -0.11 0.00 0.00 41.96 39.35 1n7g s TYR 53 CO 0.00 -0.48 0.13 -2.00 -1.11 0.00 0.00 175.55 172.09 1n7g s GLU 54 N -4.91 3.39 -0.15 -0.62 2.12 -0.15 -4.60 118.70 113.79 1n7g s GLU 54 Ca 0.50 -0.67 -0.04 0.00 0.36 0.00 0.00 54.97 55.13 1n7g s GLU 54 Cb -0.11 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.76 1n7g s GLU 54 CO 0.48 -0.37 -0.03 0.08 -0.54 0.00 0.00 175.26 174.88 1n7g s VAL 55 N 1.61 3.95 -0.04 3.70 1.01 0.24 -1.62 120.40 129.25 1n7g s VAL 55 Ca 0.05 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.75 1n7g s VAL 55 Cb -0.17 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1n7g s VAL 55 CO 0.05 0.50 -0.22 -1.00 0.00 0.00 0.00 175.10 174.44 1n7g s HIS 56 N 0.23 2.47 0.01 5.22 3.76 -0.05 -0.11 115.29 126.82 1n7g s HIS 56 Ca -0.02 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 54.52 1n7g s HIS 56 Cb -0.14 -1.56 -0.01 0.00 1.11 0.00 0.00 32.58 31.98 1n7g s HIS 56 CO 0.03 0.00 -0.10 0.20 -0.85 0.00 0.00 174.74 174.02 1n7g s GLY 57 N -0.56 0.54 -0.16 -2.22 0.00 0.78 -0.58 107.32 105.12 1n7g s GLY 57 Ca 0.08 -0.56 -0.13 0.00 0.00 0.00 0.00 44.72 44.10 1n7g s GLY 57 CO 0.00 -0.53 0.28 1.08 0.00 0.00 0.00 173.10 173.93 1n7g s LEU 58 N -0.69 4.25 0.14 0.66 1.43 -0.55 -0.72 118.68 123.19 1n7g s LEU 58 Ca 0.01 0.50 0.07 0.00 -1.03 0.00 0.00 54.13 53.67 1n7g s LEU 58 Cb -0.06 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 1n7g s LEU 58 CO 0.00 0.12 -0.16 0.27 0.23 0.00 0.00 176.35 176.81 1n7g s ILE 59 N 0.39 1.51 0.15 -0.59 -4.36 0.62 -3.80 121.20 115.12 1n7g s ILE 59 Ca 0.16 -1.81 -0.16 0.00 -0.26 0.00 0.00 60.65 58.58 1n7g s ILE 59 Cb -0.13 -1.66 -0.07 0.00 1.25 0.00 0.00 42.46 41.85 1n7g s ILE 59 CO 0.04 -0.39 0.58 -0.13 0.24 0.00 0.00 174.94 175.28 1n7g s ARG 60 N -2.75 4.07 0.27 0.37 0.52 -1.26 -1.91 118.95 118.26 1n7g s ARG 60 Ca 0.12 0.61 -0.29 0.00 -0.52 0.00 0.00 55.73 55.64 1n7g s ARG 60 Cb -0.05 -2.98 -0.09 0.00 0.52 0.00 0.00 34.95 32.35 1n7g s ARG 60 CO 0.04 0.49 1.12 0.50 0.02 0.00 0.00 175.30 177.47 1n7g s ARG 61 N -1.80 4.61 0.08 3.54 3.00 -1.26 -5.00 118.95 122.12 1n7g s ARG 61 Ca 0.37 1.82 -0.04 0.00 -1.00 0.00 0.00 55.73 56.88 1n7g s ARG 61 Cb -0.16 -3.19 -0.03 0.00 0.00 0.00 0.00 34.95 31.57 1n7g s ARG 61 CO 0.19 0.16 0.07 -1.54 0.00 0.00 0.00 175.30 174.18 1n7g s SER 62 N -0.71 0.31 0.04 -2.12 1.04 -1.26 -5.02 113.70 105.99 1n7g s SER 62 Ca 0.46 -0.91 0.25 0.00 0.48 0.00 0.00 55.95 56.23 1n7g s SER 62 Cb -0.32 0.27 1.01 0.00 0.10 0.00 0.00 66.02 67.08 1n7g s SER 62 CO 0.41 -0.68 1.78 -1.54 0.98 0.00 0.00 173.24 174.18 1n7g n SER 63 N 0.00 0.15 -4.39 7.02 3.41 -1.26 -4.83 113.62 113.73 1n7g n SER 63 Ca -0.13 0.52 -0.19 0.00 -0.26 0.00 0.00 58.87 58.81 1n7g n SER 63 Cb 0.62 -0.56 -0.10 0.00 -0.26 0.00 0.00 64.21 63.91 1n7g n SER 63 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1n7g s ASN 64 N -3.28 1.83 0.09 4.04 0.01 -1.26 -5.10 114.94 111.27 1n7g s ASN 64 Ca 0.11 -1.38 -0.32 0.00 -0.71 0.00 0.00 52.86 50.56 1n7g s ASN 64 Cb 0.15 0.03 -0.11 0.00 0.41 0.00 0.00 41.25 41.73 1n7g s ASN 64 CO 0.46 -0.66 1.83 0.33 -1.51 0.00 0.00 177.10 177.55 1n7g n PHE 65 N -0.59 2.54 -0.30 2.20 7.35 -1.26 -4.87 117.46 122.54 1n7g n PHE 65 Ca -0.01 -0.10 0.00 0.00 -0.76 0.00 0.00 57.45 56.57 1n7g n PHE 65 Cb 0.66 -2.71 0.00 0.00 0.35 0.00 0.00 39.48 37.79 1n7g n PHE 65 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 1n7g n ASN 66 N 5.67 1.42 -1.42 -2.13 6.94 -1.26 -4.75 115.26 119.73 1n7g n ASN 66 Ca 0.19 -1.72 -0.10 0.00 -0.02 0.00 0.00 54.58 52.93 1n7g n ASN 66 Cb 0.36 -0.00 0.18 0.00 -2.36 0.00 0.00 39.78 37.95 1n7g n ASN 66 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1n7g n THR 67 N -0.36 2.70 -0.11 5.53 -2.24 -1.26 -4.75 114.28 113.79 1n7g n THR 67 Ca 0.00 -2.74 0.16 0.00 -2.27 0.00 0.00 64.05 59.20 1n7g n THR 67 Cb 0.33 -0.42 0.55 0.00 -2.10 0.00 0.00 70.33 68.68 1n7g n THR 67 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1n7g h GLN 68 N 1.10 0.31 0.00 -0.78 7.50 -1.91 -1.02 115.11 120.32 1n7g h GLN 68 Ca 0.31 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.43 1n7g h GLN 68 Cb 1.80 -0.07 -0.00 0.00 0.05 0.00 0.00 27.48 29.26 1n7g h GLN 68 CO 0.57 0.20 -0.09 0.00 -1.50 0.00 0.00 178.83 178.02 1n7g h ARG 69 N 0.32 0.00 0.00 1.46 3.08 -1.85 -3.36 114.38 114.03 1n7g h ARG 69 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1n7g h ARG 69 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1n7g h ARG 69 CO -0.08 0.03 0.00 0.44 -1.07 0.00 0.00 179.97 179.29 1n7g n ILE 70 N -3.09 0.68 -0.32 2.04 -5.35 -0.86 -4.75 119.36 107.72 1n7g n ILE 70 Ca 0.04 -0.79 -0.02 0.00 -0.27 0.00 0.00 62.75 61.70 1n7g n ILE 70 Cb 0.54 0.68 0.10 0.00 -1.74 0.00 0.00 39.64 39.23 1n7g n ILE 70 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 1n7g h ASN 71 N 0.00 0.94 0.04 7.28 -0.00 -1.35 -1.47 115.58 121.01 1n7g h ASN 71 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.29 1n7g h ASN 71 Cb 0.42 -0.22 0.00 0.00 -0.00 0.00 0.00 38.32 38.52 1n7g h ASN 71 CO 0.00 0.66 0.00 0.00 -0.00 0.00 0.00 177.43 178.09 1n7g n HIS 72 N -4.53 0.00 -0.07 0.67 1.44 -1.26 -2.95 115.22 108.52 1n7g n HIS 72 Ca 0.10 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.67 1n7g n HIS 72 Cb 0.07 -0.06 -0.05 0.00 0.12 0.00 0.00 29.99 30.07 1n7g n HIS 72 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1n7g n ILE 73 N -1.06 0.75 -1.39 0.61 5.41 -0.61 -5.21 119.36 117.87 1n7g n ILE 73 Ca 0.07 -0.20 -0.10 0.00 1.00 0.00 0.00 62.75 63.53 1n7g n ILE 73 Cb 0.04 -1.64 -0.08 0.00 -0.71 0.00 0.00 39.64 37.25 1n7g n ILE 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1n7g n TYR 74 N -3.57 0.59 -1.64 1.39 9.36 -0.89 -4.94 117.16 117.47 1n7g n TYR 74 Ca -0.27 -0.10 -0.32 0.00 3.32 0.00 0.00 57.90 60.54 1n7g n TYR 74 Cb 0.69 -1.86 0.06 0.00 -0.63 0.00 0.00 39.34 37.60 1n7g n TYR 74 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1n7g n LYS 82 N 6.91 3.01 -0.01 2.98 0.00 -1.26 -5.00 118.16 124.79 1n7g n LYS 82 Ca 0.29 -3.63 0.00 0.00 0.00 0.00 0.00 58.31 54.97 1n7g n LYS 82 Cb 0.47 -2.28 0.00 0.00 0.00 0.00 0.00 35.03 33.21 1n7g n LYS 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1n7g n ALA 83 N -0.81 0.03 0.87 3.14 0.00 -1.26 -4.98 120.51 117.51 1n7g n ALA 83 Ca 0.56 0.00 0.10 0.00 0.00 0.00 0.00 53.44 54.10 1n7g n ALA 83 Cb 0.72 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.22 1n7g n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1n7g n LEU 84 N 0.00 2.40 -4.12 0.00 4.77 -1.26 -4.85 117.00 113.94 1n7g n LEU 84 Ca 0.00 -0.91 -0.33 0.00 -0.03 0.00 0.00 56.01 54.74 1n7g n LEU 84 Cb 0.01 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.95 1n7g n LEU 84 CO 0.00 0.42 -0.48 -0.32 -1.33 0.00 0.00 177.39 175.68 1n7g s MET 85 N -1.93 2.72 -0.07 3.23 1.75 -1.25 0.79 119.30 124.54 1n7g s MET 85 Ca 0.21 -1.03 0.05 0.00 -1.25 0.00 0.00 55.69 53.67 1n7g s MET 85 Cb 0.17 -2.76 -0.01 0.00 2.84 0.00 0.00 34.83 35.07 1n7g s MET 85 CO 0.35 -0.37 -0.23 -1.59 -0.65 0.00 0.00 175.02 172.54 1n7g s LYS 86 N 1.24 2.67 -0.12 4.11 -2.85 0.84 -4.93 119.74 120.70 1n7g s LYS 86 Ca -0.01 -0.86 -0.01 0.00 -1.00 0.00 0.00 55.97 54.09 1n7g s LYS 86 Cb -0.16 -2.24 -0.02 0.00 -2.06 0.00 0.00 37.83 33.34 1n7g s LYS 86 CO -0.09 0.37 -0.08 -0.51 0.10 0.00 0.00 175.35 175.15 1n7g s LEU 87 N -0.13 3.04 0.05 2.77 1.43 -1.26 -0.16 118.68 124.42 1n7g s LEU 87 Ca -0.04 -0.16 0.06 0.00 -1.03 0.00 0.00 54.13 52.95 1n7g s LEU 87 Cb -0.14 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 1n7g s LEU 87 CO 0.04 0.23 -0.16 -1.00 0.23 0.00 0.00 176.35 175.70 1n7g s HIS 88 N -0.04 1.37 0.03 0.29 3.76 0.10 -4.95 115.29 115.85 1n7g s HIS 88 Ca -0.01 -0.37 -0.30 0.00 -0.15 0.00 0.00 55.06 54.24 1n7g s HIS 88 Cb -0.14 -0.81 -0.04 0.00 1.11 0.00 0.00 32.58 32.71 1n7g s HIS 88 CO 0.03 0.06 0.98 0.71 -0.85 0.00 0.00 174.74 175.67 1n7g s TYR 89 N -0.89 3.69 0.21 1.40 4.12 -1.26 -0.27 117.35 124.35 1n7g s TYR 89 Ca 0.03 1.71 -0.22 0.00 0.02 0.00 0.00 57.07 58.61 1n7g s TYR 89 Cb -0.08 -3.11 0.07 0.00 -1.52 0.00 0.00 41.96 37.31 1n7g s TYR 89 CO 0.02 0.00 0.99 0.00 0.02 0.00 0.00 175.55 176.58 1n7g s ALA 90 N 0.71 -1.49 -0.22 3.71 0.00 -0.80 -4.88 121.76 118.80 1n7g s ALA 90 Ca 0.51 -0.29 -0.19 0.00 0.00 0.00 0.00 51.96 51.99 1n7g s ALA 90 Cb -0.22 0.72 0.06 0.00 0.00 0.00 0.00 23.12 23.68 1n7g s ALA 90 CO 0.29 -1.05 0.57 0.34 0.00 0.00 0.00 175.76 175.91 1n7g s ASP 91 N -3.25 -0.62 0.18 0.00 -1.08 -1.26 -4.11 116.67 106.52 1n7g s ASP 91 Ca 0.19 1.16 0.16 0.00 -0.52 0.00 0.00 52.55 53.54 1n7g s ASP 91 Cb -0.03 1.15 0.75 0.00 -1.46 0.00 0.00 42.92 43.34 1n7g s ASP 91 CO 0.05 -0.20 1.48 0.18 0.52 0.00 0.00 175.17 177.20 1n7g n LEU 92 N 3.04 0.36 -0.72 -1.34 4.32 -1.26 -0.74 117.00 120.66 1n7g n LEU 92 Ca -0.15 0.63 0.13 0.00 -0.02 0.00 0.00 56.01 56.60 1n7g n LEU 92 Cb 0.56 -0.64 0.33 0.00 -1.62 0.00 0.00 43.42 42.06 1n7g n LEU 92 CO 0.07 -0.64 0.76 0.35 -1.22 0.00 0.00 177.39 176.71 1n7g n THR 93 N -1.95 0.09 -3.92 -5.08 -2.24 -1.26 -4.37 114.28 95.55 1n7g n THR 93 Ca 0.01 -0.40 -0.30 0.00 -2.27 0.00 0.00 64.05 61.08 1n7g n THR 93 Cb 0.10 0.85 -0.14 0.00 -2.10 0.00 0.00 70.33 69.04 1n7g n THR 93 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n7g s ASP 94 N -1.87 4.33 0.25 3.42 3.68 0.09 -4.98 116.67 121.58 1n7g s ASP 94 Ca 0.34 -2.57 -0.03 0.00 2.13 0.00 0.00 52.55 52.42 1n7g s ASP 94 Cb 0.20 -1.47 0.44 0.00 -1.45 0.00 0.00 42.92 40.63 1n7g s ASP 94 CO 0.31 -0.30 1.80 0.00 0.13 0.00 0.00 175.17 177.11 1n7g h ALA 95 N 7.02 1.23 -0.10 3.66 0.00 -1.82 -2.27 119.26 126.97 1n7g h ALA 95 Ca -0.06 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1n7g h ALA 95 Cb 0.95 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1n7g h ALA 95 CO 0.58 0.08 -0.15 0.77 0.00 0.00 0.00 179.25 180.53 1n7g h SER 96 N 0.78 -0.46 -0.87 0.00 0.02 -1.93 -1.85 113.55 109.24 1n7g h SER 96 Ca 0.42 0.08 0.14 0.00 -0.84 0.00 0.00 61.79 61.59 1n7g h SER 96 Cb 0.43 0.21 -0.07 0.00 0.14 0.00 0.00 62.40 63.12 1n7g h SER 96 CO -0.27 -0.20 0.56 0.77 -1.14 0.00 0.00 176.83 176.55 1n7g h SER 97 N -0.20 0.64 0.55 3.07 4.64 -1.74 -0.15 113.55 120.36 1n7g h SER 97 Ca 0.08 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 1n7g h SER 97 Cb 0.32 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1n7g h SER 97 CO -0.22 0.33 -0.26 -0.07 -0.87 0.00 0.00 176.83 175.74 1n7g h LEU 98 N 0.68 -0.63 -1.10 5.97 3.38 -1.11 -3.08 115.31 119.42 1n7g h LEU 98 Ca 0.43 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.57 1n7g h LEU 98 Cb 0.68 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.51 1n7g h LEU 98 CO -0.19 -0.30 0.61 -0.09 0.09 0.00 0.00 178.44 178.56 1n7g h ARG 99 N -1.03 0.82 0.08 1.13 9.65 -1.20 -2.06 114.38 121.77 1n7g h ARG 99 Ca -0.08 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 58.78 1n7g h ARG 99 Cb 0.57 -0.18 -0.05 0.00 -1.39 0.00 0.00 29.97 28.91 1n7g h ARG 99 CO 0.12 0.54 -0.47 -0.09 2.80 0.00 0.00 179.97 182.87 1n7g h ARG 100 N 0.84 -0.65 0.00 0.20 2.43 -1.05 -0.96 114.38 115.20 1n7g h ARG 100 Ca 0.50 0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.66 1n7g h ARG 100 Cb 0.67 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1n7g h ARG 100 CO -0.27 -0.43 -0.30 -1.49 -1.51 0.00 0.00 179.97 175.96 1n7g h TRP 101 N -0.68 0.00 -0.39 2.20 4.06 -1.36 -2.54 115.95 117.24 1n7g h TRP 101 Ca 0.02 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.86 1n7g h TRP 101 Cb 0.71 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.86 1n7g h TRP 101 CO -0.43 0.30 -0.21 0.82 -3.56 0.00 0.00 178.44 175.36 1n7g h ILE 102 N 0.00 1.27 0.15 1.49 2.04 -0.74 -0.15 117.51 121.57 1n7g h ILE 102 Ca -0.00 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 1n7g h ILE 102 Cb 0.62 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1n7g h ILE 102 CO 0.04 0.44 -0.07 0.44 0.00 0.00 0.00 178.15 179.00 1n7g h ASP 103 N 0.68 -0.17 -0.64 1.72 3.32 -0.88 0.17 116.42 120.63 1n7g h ASP 103 Ca 0.10 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 56.87 1n7g h ASP 103 Cb 0.72 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 1n7g h ASP 103 CO 0.06 0.21 0.42 0.58 -1.72 0.00 0.00 179.24 178.78 1n7g h VAL 104 N -0.57 1.15 0.17 -1.35 2.07 -1.43 -3.21 116.25 113.09 1n7g h VAL 104 Ca -0.02 -0.29 -0.31 0.00 0.82 0.00 0.00 66.70 66.90 1n7g h VAL 104 Cb 0.44 0.23 0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1n7g h VAL 104 CO 0.03 0.16 -1.40 0.40 0.02 0.00 0.00 177.57 176.77 1n7g h ILE 105 N 0.85 1.33 -6.08 4.57 2.04 -1.06 -3.49 117.51 115.68 1n7g h ILE 105 Ca 0.24 -2.87 -0.39 0.00 1.00 0.00 0.00 64.86 62.84 1n7g h ILE 105 Cb -0.08 2.94 0.10 0.00 -0.74 0.00 0.00 36.82 39.04 1n7g h ILE 105 CO -0.06 0.85 -0.91 2.29 0.00 0.00 0.00 178.15 180.33 1n7g n LYS 106 N -3.58 -1.39 -1.88 2.37 -0.00 0.59 -4.92 118.16 109.35 1n7g n LYS 106 Ca -0.14 0.56 -0.32 0.00 -0.00 0.00 0.00 58.31 58.41 1n7g n LYS 106 Cb 1.06 -4.42 0.03 0.00 -0.00 0.00 0.00 35.03 31.69 1n7g n LYS 106 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1n7g s PRO 107 N -5.62 3.09 -0.10 -1.58 0.04 -1.26 -4.92 135.00 124.65 1n7g s PRO 107 Ca 0.46 1.22 0.11 0.00 0.04 0.00 0.00 61.00 62.83 1n7g s PRO 107 Cb -0.15 -2.00 -0.24 0.00 0.04 0.00 0.00 34.50 32.16 1n7g s PRO 107 CO 0.84 -1.00 0.44 -0.25 0.04 0.00 0.00 177.00 177.07 1n7g n ASP 108 N -2.33 0.88 -4.00 6.66 8.00 0.29 -4.75 116.55 121.29 1n7g n ASP 108 Ca 0.09 0.27 -0.22 0.00 0.71 0.00 0.00 54.79 55.64 1n7g n ASP 108 Cb 0.53 0.06 -0.16 0.00 -0.02 0.00 0.00 41.12 41.53 1n7g n ASP 108 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1n7g s GLU 109 N -2.56 1.21 -0.16 -1.24 2.02 -0.82 -0.64 118.70 116.51 1n7g s GLU 109 Ca -0.10 -0.33 0.01 0.00 0.02 0.00 0.00 54.97 54.58 1n7g s GLU 109 Cb 0.07 -1.09 0.01 0.00 0.10 0.00 0.00 34.13 33.23 1n7g s GLU 109 CO 0.81 0.07 -0.19 0.08 0.02 0.00 0.00 175.26 176.05 1n7g s VAL 110 N 0.42 2.28 -0.31 2.63 1.01 0.71 -0.66 120.40 126.48 1n7g s VAL 110 Ca -0.08 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 1n7g s VAL 110 Cb -0.12 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.36 1n7g s VAL 110 CO 0.01 0.53 0.05 -0.31 0.00 0.00 0.00 175.10 175.39 1n7g s TYR 111 N 0.97 3.22 -0.88 5.22 2.02 0.08 -0.36 117.35 127.62 1n7g s TYR 111 Ca -0.03 -1.52 -0.17 0.00 -0.37 0.00 0.00 57.07 54.98 1n7g s TYR 111 Cb -0.15 -2.20 0.16 0.00 -0.40 0.00 0.00 41.96 39.37 1n7g s TYR 111 CO -0.04 -0.73 1.00 1.21 -1.57 0.00 0.00 175.55 175.41 1n7g s ASN 112 N 1.36 6.64 0.00 2.29 2.47 -0.33 -1.02 114.94 126.35 1n7g s ASN 112 Ca -0.02 -2.19 0.17 0.00 0.42 0.00 0.00 52.86 51.24 1n7g s ASN 112 Cb -0.19 -2.34 -0.16 0.00 -1.45 0.00 0.00 41.25 37.11 1n7g s ASN 112 CO 0.01 -0.92 0.75 0.18 -3.72 0.00 0.00 177.10 173.40 1n7g n LEU 113 N 5.77 0.93 -4.73 3.21 4.77 -0.88 -2.73 117.00 123.34 1n7g n LEU 113 Ca 0.19 -0.53 -0.42 0.00 -0.03 0.00 0.00 56.01 55.22 1n7g n LEU 113 Cb 0.48 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 1n7g n LEU 113 CO 0.46 0.22 1.35 0.00 -1.33 0.00 0.00 177.39 178.08 1n7g s ALA 114 N -2.55 3.90 -0.27 -1.18 0.00 -1.07 -4.72 121.76 115.87 1n7g s ALA 114 Ca 0.08 1.58 -0.35 0.00 0.00 0.00 0.00 51.96 53.26 1n7g s ALA 114 Cb 0.13 -3.69 0.17 0.00 0.00 0.00 0.00 23.12 19.73 1n7g s ALA 114 CO 0.67 -0.93 1.35 0.00 0.00 0.00 0.00 175.76 176.85 1n7g s ALA 115 N 0.95 -2.16 -0.82 0.00 0.00 -1.26 -4.81 121.76 113.65 1n7g s ALA 115 Ca 0.72 1.87 -0.19 0.00 0.00 0.00 0.00 51.96 54.36 1n7g s ALA 115 Cb -0.49 -0.68 0.12 0.00 0.00 0.00 0.00 23.12 22.07 1n7g s ALA 115 CO 0.35 -0.46 1.01 -1.14 0.00 0.00 0.00 175.76 175.52 1n7g s GLN 116 N -1.79 3.43 0.00 0.00 -0.44 -1.26 -4.87 119.66 114.72 1n7g s GLN 116 Ca 0.11 -1.58 0.29 0.00 -2.50 0.00 0.00 55.36 51.68 1n7g s GLN 116 Cb -0.01 -4.66 1.32 0.00 -1.64 0.00 0.00 33.01 28.02 1n7g s GLN 116 CO -0.04 -1.71 1.90 -1.13 0.50 0.00 0.00 175.29 174.80 1n7g n SER 117 N 6.55 0.85 -4.67 6.67 3.41 -1.26 -4.86 113.62 120.30 1n7g n SER 117 Ca 0.13 -1.16 -0.40 0.00 -0.26 0.00 0.00 58.87 57.18 1n7g n SER 117 Cb 0.47 -0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 1n7g n SER 117 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1n7g s HIS 118 N -2.11 3.42 0.11 7.33 5.65 -1.26 -4.96 115.29 123.47 1n7g s HIS 118 Ca 0.39 1.10 -0.17 0.00 0.25 0.00 0.00 55.06 56.63 1n7g s HIS 118 Cb 0.21 -2.88 -0.05 0.00 -1.18 0.00 0.00 32.58 28.68 1n7g s HIS 118 CO 0.38 -0.16 1.58 0.28 -0.65 0.00 0.00 174.74 176.18 1n7g h VAL 119 N 5.12 1.23 -0.36 0.89 2.07 -2.00 -1.95 116.25 121.25 1n7g h VAL 119 Ca -0.32 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 1n7g h VAL 119 Cb 1.15 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1n7g h VAL 119 CO 0.79 0.27 0.07 0.00 0.02 0.00 0.00 177.57 178.72 1n7g h ALA 120 N 0.89 0.47 -0.06 1.67 0.00 -1.99 -2.32 119.26 117.92 1n7g h ALA 120 Ca 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1n7g h ALA 120 Cb 0.34 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1n7g h ALA 120 CO 0.01 0.16 0.03 0.28 0.00 0.00 0.00 179.25 179.72 1n7g h VAL 121 N 0.43 1.02 0.00 0.00 2.07 -1.97 -1.97 116.25 115.83 1n7g h VAL 121 Ca 0.11 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1n7g h VAL 121 Cb 0.33 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1n7g h VAL 121 CO 0.00 0.02 -0.11 0.77 0.02 0.00 0.00 177.57 178.28 1n7g h SER 122 N 0.08 0.00 0.93 0.57 4.64 -0.76 -0.97 113.55 118.04 1n7g h SER 122 Ca 0.02 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.25 1n7g h SER 122 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1n7g h SER 122 CO -0.00 0.11 -0.45 -0.26 -0.87 0.00 0.00 176.83 175.36 1n7g h PHE 123 N 0.00 0.00 0.06 4.77 -1.00 -1.36 -2.20 116.94 117.21 1n7g h PHE 123 Ca -0.00 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.49 1n7g h PHE 123 Cb 0.30 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.83 1n7g h PHE 123 CO 0.00 0.45 -1.53 0.93 -1.61 0.00 0.00 178.31 176.55 1n7g h GLU 124 N 0.00 0.13 -2.14 1.51 5.08 -1.29 -3.39 114.58 114.49 1n7g h GLU 124 Ca -0.00 -0.22 -0.56 0.00 -1.00 0.00 0.00 59.36 57.57 1n7g h GLU 124 Cb 1.04 0.08 -0.41 0.00 0.50 0.00 0.00 28.75 29.96 1n7g h GLU 124 CO 0.06 0.92 -0.85 0.44 -1.00 0.00 0.00 179.01 178.57 1n7g n ILE 125 N -3.31 1.36 -0.11 3.13 -5.35 -0.61 -4.95 119.36 109.52 1n7g n ILE 125 Ca -0.15 -4.93 -0.08 0.00 -0.27 0.00 0.00 62.75 57.32 1n7g n ILE 125 Cb 1.03 -1.45 0.00 0.00 -1.74 0.00 0.00 39.64 37.48 1n7g n ILE 125 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1n7g h PRO 126 N 3.52 0.41 0.27 6.28 0.13 -1.60 -2.09 132.00 138.92 1n7g h PRO 126 Ca 0.13 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 1n7g h PRO 126 Cb 0.73 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 1n7g h PRO 126 CO 0.68 0.27 -0.19 -0.44 -0.23 0.00 0.00 178.00 178.09 1n7g h ASP 127 N 0.42 -0.47 -0.34 1.44 3.32 -1.92 -0.16 116.42 118.71 1n7g h ASP 127 Ca 0.14 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.25 1n7g h ASP 127 Cb 0.01 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1n7g h ASP 127 CO -0.07 -0.29 0.18 0.22 -1.72 0.00 0.00 179.24 177.56 1n7g h TYR 128 N -0.45 0.33 -0.72 4.55 3.20 -1.97 -0.67 116.97 121.24 1n7g h TYR 128 Ca -0.02 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.93 1n7g h TYR 128 Cb 0.39 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.49 1n7g h TYR 128 CO -0.10 0.19 0.40 1.15 -1.64 0.00 0.00 178.16 178.16 1n7g h THR 129 N 0.37 0.94 -0.16 1.81 2.02 -1.17 -1.39 112.91 115.34 1n7g h THR 129 Ca 0.14 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1n7g h THR 129 Cb 0.03 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 1n7g h THR 129 CO -0.08 0.13 0.04 0.00 0.37 0.00 0.00 175.52 175.98 1n7g h ALA 130 N 1.39 0.21 -0.17 6.16 0.00 -0.56 0.14 119.26 126.42 1n7g h ALA 130 Ca 0.33 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1n7g h ALA 130 Cb 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1n7g h ALA 130 CO -0.21 -0.16 0.12 0.22 0.00 0.00 0.00 179.25 179.23 1n7g h ASP 131 N 0.06 0.04 0.00 0.00 3.58 -0.61 0.52 116.42 120.01 1n7g h ASP 131 Ca 0.05 -0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.33 1n7g h ASP 131 Cb 0.26 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 1n7g h ASP 131 CO 0.00 0.03 -1.05 0.58 -2.88 0.00 0.00 179.24 175.92 1n7g h VAL 132 N 0.05 0.75 -0.19 2.25 2.07 -1.07 0.67 116.25 120.77 1n7g h VAL 132 Ca 0.08 -1.93 -0.20 0.00 0.82 0.00 0.00 66.70 65.46 1n7g h VAL 132 Cb 0.26 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1n7g h VAL 132 CO -0.01 0.25 -0.68 0.58 0.02 0.00 0.00 177.57 177.74 1n7g h VAL 133 N -1.00 1.29 0.00 2.57 2.07 -0.67 -2.99 116.25 117.51 1n7g h VAL 133 Ca -0.26 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.36 1n7g h VAL 133 Cb 1.12 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1n7g h VAL 133 CO -0.16 0.60 -0.36 0.00 0.02 0.00 0.00 177.57 177.67 1n7g n ALA 134 N -2.58 0.32 0.06 1.67 0.00 0.13 -4.12 120.51 115.99 1n7g n ALA 134 Ca -0.06 -0.42 -0.01 0.00 0.00 0.00 0.00 53.44 52.95 1n7g n ALA 134 Cb 0.70 0.01 0.26 0.00 0.00 0.00 0.00 19.45 20.42 1n7g n ALA 134 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1n7g h THR 135 N -0.42 1.25 -0.85 0.00 2.02 -1.54 -2.48 112.91 110.89 1n7g h THR 135 Ca 0.00 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.00 1n7g h THR 135 Cb 0.36 1.37 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 1n7g h THR 135 CO 0.00 0.37 0.53 1.23 0.37 0.00 0.00 175.52 178.02 1n7g h GLY 136 N 0.99 1.23 1.15 2.16 0.00 -0.70 0.11 103.07 108.01 1n7g h GLY 136 Ca 0.05 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 1n7g h GLY 136 CO 0.04 0.48 0.09 0.00 0.00 0.00 0.00 176.54 177.15 1n7g h ALA 137 N 1.29 0.97 -0.48 3.60 0.00 -1.51 -2.33 119.26 120.80 1n7g h ALA 137 Ca 0.31 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1n7g h ALA 137 Cb -0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1n7g h ALA 137 CO -0.06 0.65 -0.08 1.25 0.00 0.00 0.00 179.25 181.00 1n7g h LEU 138 N 0.97 0.85 -0.61 0.00 5.85 -0.87 -2.00 115.31 119.50 1n7g h LEU 138 Ca 0.19 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1n7g h LEU 138 Cb 0.44 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1n7g h LEU 138 CO 0.01 0.96 0.33 0.03 -0.34 0.00 0.00 178.44 179.43 1n7g h ARG 139 N 0.78 0.86 -0.32 1.25 3.08 -0.42 0.19 114.38 119.80 1n7g h ARG 139 Ca 0.13 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1n7g h ARG 139 Cb 0.59 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1n7g h ARG 139 CO 0.04 0.66 0.09 1.25 -1.07 0.00 0.00 179.97 180.94 1n7g h LEU 140 N 0.83 0.47 -0.78 3.04 5.85 -1.26 0.10 115.31 123.57 1n7g h LEU 140 Ca 0.21 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1n7g h LEU 140 Cb 0.05 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1n7g h LEU 140 CO -0.03 0.56 0.51 -0.07 -0.34 0.00 0.00 178.44 179.06 1n7g h LEU 141 N 0.35 0.86 -0.80 2.25 3.38 -1.09 0.81 115.31 121.07 1n7g h LEU 141 Ca 0.10 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 1n7g h LEU 141 Cb 0.26 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1n7g h LEU 141 CO -0.00 0.61 -0.59 -0.08 0.09 0.00 0.00 178.44 178.46 1n7g h GLU 142 N 1.01 0.00 -0.10 1.13 4.57 -0.72 -0.53 114.58 119.94 1n7g h GLU 142 Ca 0.30 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.27 1n7g h GLU 142 Cb -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1n7g h GLU 142 CO -0.09 0.59 -0.80 0.00 -1.18 0.00 0.00 179.01 177.54 1n7g h ALA 143 N 1.41 0.41 -0.32 2.92 0.00 -0.14 -1.25 119.26 122.28 1n7g h ALA 143 Ca -0.01 -0.62 -0.17 0.00 0.00 0.00 0.00 54.91 54.11 1n7g h ALA 143 Cb 1.06 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1n7g h ALA 143 CO 0.08 0.73 -0.48 0.28 0.00 0.00 0.00 179.25 179.85 1n7g h VAL 144 N 0.41 1.27 -0.42 0.00 2.07 -0.73 -1.17 116.25 117.68 1n7g h VAL 144 Ca -0.05 -1.66 -0.05 0.00 0.82 0.00 0.00 66.70 65.76 1n7g h VAL 144 Cb 1.41 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 1n7g h VAL 144 CO 0.15 0.55 0.07 -0.09 0.02 0.00 0.00 177.57 178.27 1n7g h ARG 145 N 0.69 0.70 -0.19 1.57 2.43 -1.08 -0.62 114.38 117.88 1n7g h ARG 145 Ca 0.03 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 58.95 1n7g h ARG 145 Cb 1.09 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 1n7g h ARG 145 CO 0.11 0.74 -0.15 0.77 -1.51 0.00 0.00 179.97 179.93 1n7g h SER 146 N 0.56 0.30 0.28 -3.80 0.02 -1.19 -2.09 113.55 107.62 1n7g h SER 146 Ca 0.13 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1n7g h SER 146 Cb 0.38 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1n7g h SER 146 CO 0.01 0.47 -0.13 -0.74 -1.14 0.00 0.00 176.83 175.30 1n7g h HIS 147 N 0.29 -0.35 0.00 3.45 -0.00 -0.81 -2.00 115.15 115.74 1n7g h HIS 147 Ca 0.06 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.42 1n7g h HIS 147 Cb 0.44 0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 27.97 1n7g h HIS 147 CO 0.01 0.01 -0.00 1.79 -0.00 0.00 0.00 177.93 179.73 1n7g h THR 148 N -0.79 0.84 0.16 6.26 1.35 -1.01 0.29 112.91 120.00 1n7g h THR 148 Ca -0.04 -0.01 -0.30 0.00 -0.55 0.00 0.00 66.41 65.51 1n7g h THR 148 Cb 0.51 1.01 0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1n7g h THR 148 CO 0.06 0.00 -1.37 0.40 -0.25 0.00 0.00 175.52 174.36 1n7g h ILE 149 N 0.00 1.36 0.00 6.82 1.08 -1.38 0.85 117.51 126.24 1n7g h ILE 149 Ca -0.00 -2.91 -0.05 0.00 -0.39 0.00 0.00 64.86 61.50 1n7g h ILE 149 Cb 0.01 2.92 -0.01 0.00 -3.07 0.00 0.00 36.82 36.67 1n7g h ILE 149 CO 0.00 0.86 -0.38 -0.78 -0.69 0.00 0.00 178.15 177.16 1n7g h ASP 150 N 0.09 0.00 0.00 1.72 3.58 -0.88 -3.34 116.42 117.59 1n7g h ASP 150 Ca -0.19 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.26 1n7g h ASP 150 Cb 2.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.08 1n7g h ASP 150 CO 0.21 0.25 -1.01 -1.54 -2.88 0.00 0.00 179.24 174.27 1n7g n SER 151 N -3.10 2.20 0.00 2.28 3.41 0.05 -4.99 113.62 113.46 1n7g n SER 151 Ca 0.02 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1n7g n SER 151 Cb 0.64 1.23 0.00 0.00 -0.26 0.00 0.00 64.21 65.82 1n7g n SER 151 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n7g n GLY 152 N 1.75 1.57 3.76 5.00 0.00 0.29 -5.01 105.19 112.55 1n7g n GLY 152 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1n7g n GLY 152 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n7g s ARG 153 N -0.03 1.24 -0.00 1.61 0.52 -1.21 -4.98 118.95 116.10 1n7g s ARG 153 Ca 0.00 0.50 0.07 0.00 -0.52 0.00 0.00 55.73 55.77 1n7g s ARG 153 Cb 0.00 -1.83 -0.03 0.00 0.52 0.00 0.00 34.95 33.61 1n7g s ARG 153 CO 0.00 -2.17 -0.21 0.99 0.02 0.00 0.00 175.30 173.93 1n7g s THR 154 N -3.14 2.49 -0.01 0.02 2.01 -1.26 -4.52 115.64 111.24 1n7g s THR 154 Ca 0.63 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 61.57 1n7g s THR 154 Cb -0.16 -1.95 0.01 0.00 0.01 0.00 0.00 72.50 70.41 1n7g s THR 154 CO 0.55 0.50 -0.01 -0.69 -0.69 0.00 0.00 174.62 174.28 1n7g s VAL 155 N -0.74 0.13 -0.13 3.82 1.01 -1.26 -4.73 120.40 118.50 1n7g s VAL 155 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 1n7g s VAL 155 Cb -0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.07 1n7g s VAL 155 CO 0.01 0.08 0.24 -0.54 0.00 0.00 0.00 175.10 174.88 1n7g s LYS 156 N 0.39 3.96 -0.06 2.72 1.02 0.19 -4.35 119.74 123.60 1n7g s LYS 156 Ca -0.03 0.02 0.06 0.00 0.02 0.00 0.00 55.97 56.03 1n7g s LYS 156 Cb -0.06 -3.33 -0.01 0.00 -0.52 0.00 0.00 37.83 33.92 1n7g s LYS 156 CO -0.01 0.48 -0.24 -0.47 -0.92 0.00 0.00 175.35 174.18 1n7g s TYR 157 N -0.22 2.47 -0.12 3.18 5.04 0.88 -0.21 117.35 128.38 1n7g s TYR 157 Ca 0.16 -0.73 0.03 0.00 -2.44 0.00 0.00 57.07 54.08 1n7g s TYR 157 Cb -0.13 -1.62 -0.00 0.00 0.35 0.00 0.00 41.96 40.56 1n7g s TYR 157 CO 0.04 -0.22 -0.21 -0.47 -1.34 0.00 0.00 175.55 173.36 1n7g s TYR 158 N -0.13 2.65 -0.17 4.97 5.04 0.51 -0.89 117.35 129.33 1n7g s TYR 158 Ca -0.05 -1.01 -0.03 0.00 -2.44 0.00 0.00 57.07 53.54 1n7g s TYR 158 Cb -0.14 -1.77 -0.02 0.00 0.35 0.00 0.00 41.96 40.38 1n7g s TYR 158 CO 0.04 -0.41 -0.04 -1.14 -1.34 0.00 0.00 175.55 172.65 1n7g s GLN 159 N 0.46 3.58 -1.23 4.97 2.00 -0.28 -1.19 119.66 127.97 1n7g s GLN 159 Ca -0.14 -0.56 -0.19 0.00 -2.00 0.00 0.00 55.36 52.48 1n7g s GLN 159 Cb -0.17 -2.92 0.08 0.00 0.80 0.00 0.00 33.01 30.80 1n7g s GLN 159 CO 0.06 0.13 1.64 0.00 -0.50 0.00 0.00 175.29 176.62 1n7g s ALA 160 N 0.64 3.27 0.84 1.58 0.00 -1.11 -1.26 121.76 125.74 1n7g s ALA 160 Ca -0.03 -2.83 -0.12 0.00 0.00 0.00 0.00 51.96 48.98 1n7g s ALA 160 Cb -0.15 -4.57 0.10 0.00 0.00 0.00 0.00 23.12 18.51 1n7g s ALA 160 CO 0.02 -3.30 1.14 0.20 0.00 0.00 0.00 175.76 173.82 1n7g s GLY 161 N 4.23 1.59 0.03 0.00 0.00 0.11 -4.97 107.32 108.31 1n7g s GLY 161 Ca 0.51 -0.48 -0.00 0.00 0.00 0.00 0.00 44.72 44.74 1n7g s GLY 161 CO 0.04 0.01 -0.03 -0.45 0.00 0.00 0.00 173.10 172.67 1n7g s SER 162 N -4.19 0.31 0.57 1.64 0.15 -1.26 -2.67 113.70 108.26 1n7g s SER 162 Ca 0.62 -0.61 0.34 0.00 0.70 0.00 0.00 55.95 57.00 1n7g s SER 162 Cb -0.13 0.12 1.68 0.00 -1.71 0.00 0.00 66.02 65.98 1n7g s SER 162 CO 0.52 -0.36 2.12 0.77 1.20 0.00 0.00 173.24 177.49 1n7g h SER 163 N 4.32 0.00 -0.27 5.45 4.64 -1.54 -1.60 113.55 124.55 1n7g h SER 163 Ca -0.33 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.07 1n7g h SER 163 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1n7g h SER 163 CO 0.46 0.05 0.27 -0.08 -0.87 0.00 0.00 176.83 176.67 1n7g h GLU 164 N 0.00 0.00 -0.34 4.77 4.57 -1.95 0.09 114.58 121.72 1n7g h GLU 164 Ca -0.00 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1n7g h GLU 164 Cb 0.31 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 1n7g h GLU 164 CO 0.01 0.00 0.22 0.52 -1.18 0.00 0.00 179.01 178.58 1n7g h MET 165 N 0.00 0.39 0.00 1.92 2.86 -1.54 -0.49 114.93 118.07 1n7g h MET 165 Ca 0.13 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 1n7g h MET 165 Cb 0.67 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1n7g h MET 165 CO -0.00 0.26 -0.34 0.74 1.06 0.00 0.00 176.91 178.63 1n7g h PHE 166 N 0.40 0.00 0.00 -0.22 0.05 -1.18 -2.75 116.94 113.25 1n7g h PHE 166 Ca 0.13 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.92 1n7g h PHE 166 Cb 0.03 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.98 1n7g h PHE 166 CO -0.00 0.34 0.00 0.41 -0.18 0.00 0.00 178.31 178.88 1n7g n GLY 167 N -0.32 3.54 0.08 -1.45 0.00 -0.19 -1.58 105.19 105.27 1n7g n GLY 167 Ca -0.01 0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.31 1n7g n GLY 167 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n7g n SER 168 N 5.95 0.31 -4.67 1.61 3.41 -1.04 -4.66 113.62 114.53 1n7g n SER 168 Ca 0.00 -0.48 -0.42 0.00 -0.26 0.00 0.00 58.87 57.71 1n7g n SER 168 Cb 0.00 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 1n7g n SER 168 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1n7g s THR 169 N -2.47 2.79 0.64 6.66 2.01 -0.61 -4.92 115.64 119.74 1n7g s THR 169 Ca 0.30 0.01 -0.18 0.00 0.31 0.00 0.00 61.69 62.13 1n7g s THR 169 Cb 0.20 -3.01 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 1n7g s THR 169 CO 0.46 -0.00 1.24 -2.16 -0.69 0.00 0.00 174.62 173.48 1n7g s PRO 170 N 3.75 2.67 0.89 4.92 0.04 -1.26 -4.97 135.00 141.04 1n7g s PRO 170 Ca 0.86 1.92 -0.12 0.00 0.04 0.00 0.00 61.00 63.69 1n7g s PRO 170 Cb -0.44 -1.88 0.12 0.00 0.04 0.00 0.00 34.50 32.34 1n7g s PRO 170 CO 0.40 -1.46 1.14 -1.25 0.04 0.00 0.00 177.00 175.87 1n7g s PRO 171 N -3.44 1.34 0.44 0.56 0.04 -1.26 -4.61 135.00 128.07 1n7g s PRO 171 Ca 0.79 0.27 -0.22 0.00 0.04 0.00 0.00 61.00 61.88 1n7g s PRO 171 Cb -0.33 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 1n7g s PRO 171 CO 0.38 -2.06 1.05 -1.25 0.04 0.00 0.00 177.00 175.16 1n7g s PRO 172 N -5.33 3.98 -0.19 0.56 0.04 -1.26 -5.08 135.00 127.72 1n7g s PRO 172 Ca 0.63 1.47 -0.05 0.00 0.04 0.00 0.00 61.00 63.10 1n7g s PRO 172 Cb -0.14 -2.35 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 1n7g s PRO 172 CO 0.53 -0.30 -0.00 -0.65 0.04 0.00 0.00 177.00 176.62 1n7g s GLN 173 N -2.81 3.65 0.51 4.56 1.11 -0.34 -4.92 119.66 121.42 1n7g s GLN 173 Ca 0.62 -0.51 0.00 0.00 0.01 0.00 0.00 55.36 55.49 1n7g s GLN 173 Cb -0.20 -3.06 -0.00 0.00 -1.01 0.00 0.00 33.01 28.74 1n7g s GLN 173 CO 0.25 0.08 0.01 -1.13 0.01 0.00 0.00 175.29 174.50 1n7g n SER 174 N 4.06 3.33 -0.32 5.90 3.41 -1.26 -1.00 113.62 127.73 1n7g n SER 174 Ca -0.17 -3.27 0.19 0.00 -0.26 0.00 0.00 58.87 55.36 1n7g n SER 174 Cb 0.52 0.40 0.39 0.00 -0.26 0.00 0.00 64.21 65.26 1n7g n SER 174 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1n7g h GLU 175 N 0.00 0.21 -0.00 4.33 3.07 -1.92 -1.40 114.58 118.86 1n7g h GLU 175 Ca -0.43 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 1n7g h GLU 175 Cb 1.30 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1n7g h GLU 175 CO 0.71 0.14 -0.33 0.25 -1.40 0.00 0.00 179.01 178.37 1n7g n THR 176 N -5.19 0.00 -1.66 1.13 -2.24 -1.26 -4.95 114.28 100.11 1n7g n THR 176 Ca 0.27 -0.08 -0.45 0.00 -2.27 0.00 0.00 64.05 61.52 1n7g n THR 176 Cb 0.86 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 69.38 1n7g n THR 176 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1n7g n THR 177 N -0.95 0.94 -1.82 4.28 -1.04 -0.53 -4.89 114.28 110.27 1n7g n THR 177 Ca 0.10 -0.24 -0.40 0.00 -2.04 0.00 0.00 64.05 61.47 1n7g n THR 177 Cb 0.34 -1.40 0.01 0.00 -1.82 0.00 0.00 70.33 67.45 1n7g n THR 177 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1n7g s PRO 178 N -0.40 3.90 0.06 -2.82 0.04 -1.26 -4.94 135.00 129.58 1n7g s PRO 178 Ca 0.69 2.47 -0.23 0.00 0.04 0.00 0.00 61.00 63.96 1n7g s PRO 178 Cb -0.67 -2.81 -0.06 0.00 0.04 0.00 0.00 34.50 31.00 1n7g s PRO 178 CO 0.50 -0.66 0.70 -0.06 0.04 0.00 0.00 177.00 177.51 1n7g s PHE 179 N -1.17 3.77 -0.40 0.56 0.08 -1.26 -4.74 117.98 114.82 1n7g s PHE 179 Ca 0.57 1.41 0.09 0.00 0.12 0.00 0.00 56.93 59.12 1n7g s PHE 179 Cb -0.45 -2.71 0.28 0.00 -0.57 0.00 0.00 43.02 39.57 1n7g s PHE 179 CO 0.59 0.39 0.64 1.58 -0.10 0.00 0.00 175.22 178.32 1n7g n HIS 180 N 2.38 -0.74 -1.54 0.36 -0.00 -1.04 -4.98 115.22 109.65 1n7g n HIS 180 Ca -0.05 -3.32 -0.43 0.00 0.46 0.00 0.00 57.72 54.37 1n7g n HIS 180 Cb 0.50 -0.03 -0.00 0.00 -0.12 0.00 0.00 29.99 30.34 1n7g n HIS 180 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1n7g n PRO 181 N 1.13 0.99 -0.09 1.57 -0.04 -1.20 -2.49 135.00 134.88 1n7g n PRO 181 Ca 0.20 0.35 0.04 0.00 -0.04 0.00 0.00 63.50 64.05 1n7g n PRO 181 Cb 0.58 -1.71 0.08 0.00 -0.04 0.00 0.00 33.50 32.41 1n7g n PRO 181 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1n7g n ARG 182 N 0.57 2.58 -3.51 0.54 5.12 -1.26 -4.86 116.66 115.83 1n7g n ARG 182 Ca 0.11 -1.96 -0.11 0.00 -1.93 0.00 0.00 57.85 53.96 1n7g n ARG 182 Cb 0.35 -1.23 -0.02 0.00 -1.16 0.00 0.00 32.46 30.39 1n7g n ARG 182 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1n7g s SER 183 N -1.51 -0.49 0.24 0.55 1.04 -1.26 -4.41 113.70 107.86 1n7g s SER 183 Ca 0.15 -0.13 -0.07 0.00 0.48 0.00 0.00 55.95 56.38 1n7g s SER 183 Cb 0.11 0.60 0.26 0.00 0.10 0.00 0.00 66.02 67.10 1n7g s SER 183 CO 0.04 -1.01 1.90 -0.65 0.98 0.00 0.00 173.24 174.50 1n7g h PRO 184 N 2.04 1.15 0.01 4.02 0.11 -1.89 -1.32 132.00 136.12 1n7g h PRO 184 Ca -0.32 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 65.75 1n7g h PRO 184 Cb 1.30 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1n7g h PRO 184 CO 0.37 0.76 -0.17 -0.92 -0.21 0.00 0.00 178.00 177.83 1n7g h TYR 185 N 1.18 -0.45 -0.70 0.65 3.20 -1.87 0.33 116.97 119.32 1n7g h TYR 185 Ca 0.35 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.23 1n7g h TYR 185 Cb -0.06 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 1n7g h TYR 185 CO -0.01 -0.25 0.43 0.00 -1.64 0.00 0.00 178.16 176.69 1n7g h ALA 186 N 0.63 0.89 -0.32 1.82 0.00 -1.79 0.17 119.26 120.66 1n7g h ALA 186 Ca 0.05 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1n7g h ALA 186 Cb 0.35 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1n7g h ALA 186 CO -0.16 0.35 -0.12 0.00 0.00 0.00 0.00 179.25 179.33 1n7g h ALA 187 N 1.23 1.20 -0.21 0.00 0.00 -1.00 0.12 119.26 120.60 1n7g h ALA 187 Ca 0.25 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1n7g h ALA 187 Cb -0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1n7g h ALA 187 CO -0.05 0.51 -0.42 0.77 0.00 0.00 0.00 179.25 180.07 1n7g h SER 188 N 0.51 0.52 -0.09 0.00 0.02 -0.20 -1.23 113.55 113.07 1n7g h SER 188 Ca 0.09 -0.23 -0.13 0.00 -0.84 0.00 0.00 61.79 60.68 1n7g h SER 188 Cb 0.51 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1n7g h SER 188 CO 0.03 0.87 -0.39 0.11 -1.14 0.00 0.00 176.83 176.31 1n7g h LYS 189 N 0.40 0.61 -0.86 3.45 1.79 -0.43 -0.53 116.57 121.01 1n7g h LYS 189 Ca 0.03 -0.31 -0.03 0.00 -2.18 0.00 0.00 60.65 58.17 1n7g h LYS 189 Cb 0.90 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.51 1n7g h LYS 189 CO 0.08 0.90 0.44 0.00 -1.08 0.00 0.00 179.45 179.78 1n7g h ALA 191 N 1.24 0.01 -0.90 0.00 0.00 -0.90 -2.25 119.26 116.45 1n7g h ALA 191 Ca 0.30 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1n7g h ALA 191 Cb 0.08 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1n7g h ALA 191 CO -0.04 -0.38 0.59 0.00 0.00 0.00 0.00 179.25 179.42 1n7g h ALA 192 N 0.78 1.48 -0.02 0.00 0.00 -0.78 -0.99 119.26 119.73 1n7g h ALA 192 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1n7g h ALA 192 Cb 0.23 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1n7g h ALA 192 CO 0.00 0.41 -0.14 1.25 0.00 0.00 0.00 179.25 180.77 1n7g h HIS 193 N 1.07 -0.37 -0.12 0.00 2.76 -0.48 -1.69 115.15 116.32 1n7g h HIS 193 Ca 0.37 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.45 1n7g h HIS 193 Cb 0.12 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 1n7g h HIS 193 CO -0.00 -0.21 -0.43 -1.49 -1.30 0.00 0.00 177.93 174.50 1n7g h TRP 194 N -0.23 0.31 -0.71 5.26 4.06 -0.84 -0.91 115.95 122.89 1n7g h TRP 194 Ca 0.05 -0.09 -0.04 0.00 2.06 0.00 0.00 58.89 60.88 1n7g h TRP 194 Cb 0.31 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.37 1n7g h TRP 194 CO -0.21 0.65 0.30 1.88 -3.56 0.00 0.00 178.44 177.51 1n7g h TYR 195 N 0.22 1.06 -0.18 0.49 0.99 -0.98 0.74 116.97 119.31 1n7g h TYR 195 Ca 0.02 -0.07 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 1n7g h TYR 195 Cb 0.85 -0.32 -0.01 0.00 1.00 0.00 0.00 36.73 38.25 1n7g h TYR 195 CO 0.02 0.81 0.01 1.15 -0.00 0.00 0.00 178.16 180.14 1n7g h THR 196 N 1.01 1.24 -0.82 -2.88 2.02 -1.01 -1.41 112.91 111.06 1n7g h THR 196 Ca 0.24 -0.82 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 1n7g h THR 196 Cb 0.18 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 1n7g h THR 196 CO -0.02 0.25 0.37 0.58 0.37 0.00 0.00 175.52 177.06 1n7g h VAL 197 N 0.07 1.26 -0.75 3.16 2.07 -1.00 -2.75 116.25 118.31 1n7g h VAL 197 Ca 0.05 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 1n7g h VAL 197 Cb 0.36 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1n7g h VAL 197 CO 0.01 0.32 0.25 -1.13 0.02 0.00 0.00 177.57 177.05 1n7g h ASN 198 N 1.19 1.07 0.54 0.57 -0.00 -0.67 -1.07 115.58 117.20 1n7g h ASN 198 Ca 0.28 -0.20 -0.06 0.00 -0.00 0.00 0.00 56.30 56.32 1n7g h ASN 198 Cb 0.16 -0.28 -0.01 0.00 -0.00 0.00 0.00 38.32 38.19 1n7g h ASN 198 CO -0.03 0.98 -0.29 1.88 -0.00 0.00 0.00 177.43 179.97 1n7g h TYR 199 N 1.10 0.00 0.13 0.67 -1.99 -1.08 0.32 116.97 116.12 1n7g h TYR 199 Ca 0.24 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.97 1n7g h TYR 199 Cb 0.28 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.01 1n7g h TYR 199 CO 0.02 0.29 -0.06 -0.09 -0.00 0.00 0.00 178.16 178.32 1n7g h ARG 200 N 0.00 -0.17 -0.31 4.88 2.43 -1.14 -1.58 114.38 118.49 1n7g h ARG 200 Ca -0.00 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 1n7g h ARG 200 Cb 0.63 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1n7g h ARG 200 CO 0.04 0.30 -0.26 0.93 -1.51 0.00 0.00 179.97 179.46 1n7g h GLU 201 N -0.80 0.61 0.19 0.20 5.08 -1.07 0.35 114.58 119.14 1n7g h GLU 201 Ca -0.02 -0.25 -0.29 0.00 -1.00 0.00 0.00 59.36 57.80 1n7g h GLU 201 Cb 0.54 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.79 1n7g h GLU 201 CO 0.03 0.82 -1.35 0.00 -1.00 0.00 0.00 179.01 177.50 1n7g h ALA 202 N 1.18 -0.02 -0.04 3.43 0.00 -0.47 -3.39 119.26 119.95 1n7g h ALA 202 Ca 0.07 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1n7g h ALA 202 Cb 0.73 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1n7g h ALA 202 CO 0.06 0.70 0.00 0.66 0.00 0.00 0.00 179.25 180.67 1n7g n TYR 203 N -3.84 0.05 -1.27 0.00 4.02 -0.60 -4.98 117.16 110.54 1n7g n TYR 203 Ca -0.19 -0.07 -0.09 0.00 -0.01 0.00 0.00 57.90 57.54 1n7g n TYR 203 Cb 0.99 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.27 1n7g n TYR 203 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1n7g n GLY 204 N 0.44 1.03 3.77 2.72 0.00 0.12 -4.96 105.19 108.32 1n7g n GLY 204 Ca 0.05 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1n7g n GLY 204 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1n7g s LEU 205 N -2.08 4.37 -1.19 0.99 2.96 -1.16 -4.88 118.68 117.68 1n7g s LEU 205 Ca 0.00 2.76 -0.20 0.00 -0.22 0.00 0.00 54.13 56.47 1n7g s LEU 205 Cb 0.00 -3.69 0.05 0.00 0.50 0.00 0.00 46.19 43.04 1n7g s LEU 205 CO 0.00 -0.65 1.68 0.12 -1.32 0.00 0.00 176.35 176.17 1n7g s PHE 206 N -1.16 2.60 -0.12 5.38 2.19 -1.26 -4.30 117.98 121.31 1n7g s PHE 206 Ca 0.51 -1.13 0.03 0.00 0.33 0.00 0.00 56.93 56.67 1n7g s PHE 206 Cb -0.41 -4.65 0.01 0.00 -1.31 0.00 0.00 43.02 36.66 1n7g s PHE 206 CO 0.54 -1.80 -0.22 0.00 1.83 0.00 0.00 175.22 175.58 1n7g s ALA 207 N 5.26 2.17 0.10 11.12 0.00 -1.26 -0.08 121.76 139.06 1n7g s ALA 207 Ca 0.53 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 51.56 1n7g s ALA 207 Cb 0.02 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1n7g s ALA 207 CO 0.03 0.08 -0.16 0.00 0.00 0.00 0.00 175.76 175.70 1n7g s ASN 209 N -2.00 5.01 -0.45 0.00 0.01 -1.08 -1.13 114.94 115.30 1n7g s ASN 209 Ca 0.18 -0.82 -0.23 0.00 -0.71 0.00 0.00 52.86 51.28 1n7g s ASN 209 Cb -0.11 -1.84 0.03 0.00 0.41 0.00 0.00 41.25 39.74 1n7g s ASN 209 CO 0.10 -0.20 0.76 -0.83 -1.51 0.00 0.00 177.10 175.41 1n7g s GLY 210 N 1.45 1.62 -1.09 0.66 0.00 -0.39 -1.90 107.32 107.67 1n7g s GLY 210 Ca 0.01 -1.07 -0.13 0.00 0.00 0.00 0.00 44.72 43.53 1n7g s GLY 210 CO 0.01 1.73 1.22 -0.42 0.00 0.00 0.00 173.10 175.65 1n7g s ILE 211 N 3.20 5.30 0.01 0.90 1.01 0.52 0.08 121.20 132.22 1n7g s ILE 211 Ca 0.28 -2.64 -0.20 0.00 0.00 0.00 0.00 60.65 58.09 1n7g s ILE 211 Cb -0.13 -4.76 -0.06 0.00 0.01 0.00 0.00 42.46 37.53 1n7g s ILE 211 CO 0.22 -1.42 0.58 -0.76 0.00 0.00 0.00 174.94 173.55 1n7g s LEU 212 N 0.88 4.44 0.71 2.97 1.02 -1.09 -1.57 118.68 126.05 1n7g s LEU 212 Ca 0.35 1.18 -0.05 0.00 0.02 0.00 0.00 54.13 55.63 1n7g s LEU 212 Cb -0.06 -2.90 0.09 0.00 0.02 0.00 0.00 46.19 43.34 1n7g s LEU 212 CO -0.05 0.15 1.01 -0.36 0.02 0.00 0.00 176.35 177.12 1n7g s PHE 213 N -0.43 2.43 0.09 0.29 0.40 -0.68 -1.48 117.98 118.60 1n7g s PHE 213 Ca 0.30 0.18 -0.37 0.00 -0.60 0.00 0.00 56.93 56.45 1n7g s PHE 213 Cb -0.18 -3.19 -0.17 0.00 0.51 0.00 0.00 43.02 39.98 1n7g s PHE 213 CO 0.17 -1.55 1.24 0.09 0.70 0.00 0.00 175.22 175.88 1n7g n ASN 214 N -2.91 1.21 -3.78 1.36 4.13 -1.16 -4.82 115.26 109.29 1n7g n ASN 214 Ca 0.11 1.13 -0.14 0.00 1.68 0.00 0.00 54.58 57.35 1n7g n ASN 214 Cb 0.60 -1.14 -0.15 0.00 -1.54 0.00 0.00 39.78 37.55 1n7g n ASN 214 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 1n7g s HIS 215 N 0.25 -0.03 0.46 3.10 -3.43 -1.26 -0.84 115.29 113.54 1n7g s HIS 215 Ca 0.83 0.21 0.00 0.00 -0.80 0.00 0.00 55.06 55.31 1n7g s HIS 215 Cb -1.00 -0.16 0.00 0.00 -1.43 0.00 0.00 32.58 30.00 1n7g s HIS 215 CO 0.50 -0.10 0.04 0.39 -2.00 0.00 0.00 174.74 173.57 1n7g n GLU 216 N 3.99 0.88 0.00 -0.38 -0.58 0.79 -4.63 120.64 120.71 1n7g n GLU 216 Ca -0.25 -3.31 0.00 0.00 -0.42 0.00 0.00 57.16 53.18 1n7g n GLU 216 Cb 0.52 0.83 0.00 0.00 -0.57 0.00 0.00 31.44 32.22 1n7g n GLU 216 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1n7g n SER 217 N -1.34 0.00 0.00 1.62 3.41 -1.26 -1.18 113.62 114.87 1n7g n SER 217 Ca -0.17 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.49 1n7g n SER 217 Cb 0.58 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.75 1n7g n SER 217 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1n7g n PRO 218 N -0.05 0.03 -0.11 4.33 -0.02 -1.26 -1.50 135.00 136.43 1n7g n PRO 218 Ca 0.00 0.30 0.12 0.00 -2.02 0.00 0.00 63.50 61.90 1n7g n PRO 218 Cb 0.00 -1.50 0.16 0.00 -0.02 0.00 0.00 33.50 32.14 1n7g n PRO 218 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1n7g n ARG 219 N -1.45 2.37 -1.72 -0.52 1.74 -1.26 -5.00 116.66 110.82 1n7g n ARG 219 Ca 0.03 -2.11 -0.38 0.00 -0.77 0.00 0.00 57.85 54.62 1n7g n ARG 219 Cb 0.11 -1.48 0.05 0.00 -1.02 0.00 0.00 32.46 30.12 1n7g n ARG 219 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1n7g n ARG 220 N 1.40 1.41 -1.86 5.56 3.00 -0.56 -4.58 116.66 121.02 1n7g n ARG 220 Ca 0.17 0.53 -0.41 0.00 -0.00 0.00 0.00 57.85 58.13 1n7g n ARG 220 Cb 0.59 -2.49 -0.02 0.00 0.00 0.00 0.00 32.46 30.54 1n7g n ARG 220 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1n7g s GLY 221 N -1.08 2.32 0.10 5.14 0.00 -1.26 -4.88 107.32 107.67 1n7g s GLY 221 Ca 0.75 1.49 0.14 0.00 0.00 0.00 0.00 44.72 47.10 1n7g s GLY 221 CO 0.46 2.41 1.43 1.18 0.00 0.00 0.00 173.10 178.59 1n7g n GLU 222 N 1.91 0.06 0.00 2.90 1.02 -1.26 -1.94 120.64 123.34 1n7g n GLU 222 Ca 0.06 0.41 0.13 0.00 -0.02 0.00 0.00 57.16 57.75 1n7g n GLU 222 Cb 0.39 -1.65 0.45 0.00 -0.02 0.00 0.00 31.44 30.60 1n7g n GLU 222 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1n7g n ASN 223 N -1.78 1.00 -4.85 1.62 5.03 -1.26 -3.60 115.26 111.42 1n7g n ASN 223 Ca 0.02 -0.95 -0.34 0.00 0.87 0.00 0.00 54.58 54.18 1n7g n ASN 223 Cb 0.12 0.08 -0.06 0.00 -1.02 0.00 0.00 39.78 38.90 1n7g n ASN 223 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1n7g s PHE 224 N -2.40 3.56 0.21 3.10 0.40 -0.82 -4.92 117.98 117.11 1n7g s PHE 224 Ca 0.28 0.97 -0.10 0.00 -0.60 0.00 0.00 56.93 57.48 1n7g s PHE 224 Cb 0.20 -2.31 0.30 0.00 0.51 0.00 0.00 43.02 41.72 1n7g s PHE 224 CO 0.48 0.41 1.68 -0.24 0.70 0.00 0.00 175.22 178.24 1n7g h VAL 225 N 2.62 0.54 0.25 -0.44 3.04 -1.88 0.15 116.25 120.53 1n7g h VAL 225 Ca -0.48 -0.06 -0.01 0.00 -1.01 0.00 0.00 66.70 65.14 1n7g h VAL 225 Cb 1.19 0.36 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 1n7g h VAL 225 CO 0.67 0.03 -0.12 0.71 -1.01 0.00 0.00 177.57 177.84 1n7g h THR 226 N 0.17 0.78 -0.28 3.17 1.35 -1.94 -0.93 112.91 115.22 1n7g h THR 226 Ca 0.32 -0.18 -0.09 0.00 -0.55 0.00 0.00 66.41 65.92 1n7g h THR 226 Cb 0.52 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 1n7g h THR 226 CO -0.48 0.04 -0.19 -0.09 -0.25 0.00 0.00 175.52 174.54 1n7g h ARG 227 N -0.43 0.51 -0.40 4.72 9.65 -1.76 -1.49 114.38 125.17 1n7g h ARG 227 Ca -0.03 -0.18 0.01 0.00 -1.10 0.00 0.00 59.98 58.68 1n7g h ARG 227 Cb 0.33 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.84 1n7g h ARG 227 CO 0.06 0.69 0.24 -0.22 2.80 0.00 0.00 179.97 183.54 1n7g h LYS 228 N 0.46 0.48 -0.01 0.20 3.64 -0.53 0.83 116.57 121.65 1n7g h LYS 228 Ca 0.08 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1n7g h LYS 228 Cb 0.60 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1n7g h LYS 228 CO 0.04 0.32 0.00 0.82 -2.27 0.00 0.00 179.45 178.36 1n7g h ILE 229 N 0.49 1.19 -0.17 2.00 2.04 -0.79 -1.76 117.51 120.52 1n7g h ILE 229 Ca 0.16 -0.55 -0.10 0.00 1.00 0.00 0.00 64.86 65.37 1n7g h ILE 229 Cb -0.01 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1n7g h ILE 229 CO -0.06 0.14 -0.35 0.71 0.00 0.00 0.00 178.15 178.59 1n7g h THR 230 N -0.22 1.29 -0.35 -0.27 1.35 -1.16 0.11 112.91 113.65 1n7g h THR 230 Ca 0.00 -1.40 -0.07 0.00 -0.55 0.00 0.00 66.41 64.39 1n7g h THR 230 Cb 0.23 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 1n7g h THR 230 CO 0.00 0.43 -0.07 -0.09 -0.25 0.00 0.00 175.52 175.54 1n7g h ARG 231 N 0.30 0.66 -0.12 4.72 9.65 -0.81 -2.12 114.38 126.65 1n7g h ARG 231 Ca 0.04 -0.24 -0.03 0.00 -1.10 0.00 0.00 59.98 58.64 1n7g h ARG 231 Cb 0.75 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.29 1n7g h ARG 231 CO 0.06 0.82 -0.02 0.00 2.80 0.00 0.00 179.97 183.62 1n7g h ALA 232 N 0.82 0.17 -0.64 2.80 0.00 -1.11 -2.86 119.26 118.44 1n7g h ALA 232 Ca 0.09 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.91 1n7g h ALA 232 Cb 0.56 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.21 1n7g h ALA 232 CO 0.03 -0.10 0.12 1.25 0.00 0.00 0.00 179.25 180.55 1n7g h LEU 233 N -0.07 -0.03 -0.58 0.00 5.85 -0.75 0.12 115.31 119.85 1n7g h LEU 233 Ca 0.03 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1n7g h LEU 233 Cb 0.42 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1n7g h LEU 233 CO 0.01 -0.02 0.38 1.23 -0.34 0.00 0.00 178.44 179.71 1n7g h GLY 234 N 0.24 0.82 1.86 3.75 0.00 -1.32 -0.24 103.07 108.18 1n7g h GLY 234 Ca 0.34 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 47.27 1n7g h GLY 234 CO -0.45 0.30 -0.38 3.21 0.00 0.00 0.00 176.54 179.22 1n7g h ARG 235 N 0.79 0.16 -0.29 4.80 3.08 -1.00 -2.53 114.38 119.39 1n7g h ARG 235 Ca 0.21 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.09 1n7g h ARG 235 Cb -0.09 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1n7g h ARG 235 CO -0.05 0.52 -0.23 0.82 -1.07 0.00 0.00 179.97 179.97 1n7g h ILE 236 N 0.14 1.30 -0.86 2.04 2.04 -0.33 0.59 117.51 122.43 1n7g h ILE 236 Ca 0.01 -1.38 0.03 0.00 1.00 0.00 0.00 64.86 64.53 1n7g h ILE 236 Cb 0.74 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 38.32 1n7g h ILE 236 CO 0.06 0.44 0.56 0.50 0.00 0.00 0.00 178.15 179.70 1n7g h LYS 237 N 0.41 1.05 -0.01 2.37 1.63 -0.79 -2.09 116.57 119.15 1n7g h LYS 237 Ca 0.05 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1n7g h LYS 237 Cb 0.78 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1n7g h LYS 237 CO 0.06 0.70 -0.07 1.33 -3.45 0.00 0.00 179.45 178.01 1n7g n VAL 238 N -4.54 0.00 -0.67 2.00 0.24 -0.98 -4.94 118.33 109.44 1n7g n VAL 238 Ca 0.11 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1n7g n VAL 238 Cb 0.09 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 1n7g n VAL 238 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n7g n GLY 239 N 1.21 0.62 0.07 7.63 0.00 -0.72 -4.95 105.19 109.06 1n7g n GLY 239 Ca 0.17 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.92 1n7g n GLY 239 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n7g h LEU 240 N 0.00 0.00 -7.96 0.99 3.38 -0.08 -3.47 115.31 108.17 1n7g h LEU 240 Ca 0.00 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 1n7g h LEU 240 Cb 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.56 1n7g h LEU 240 CO 0.00 0.09 -0.61 -1.58 0.09 0.00 0.00 178.44 176.43 1n7g s GLN 241 N -3.20 0.48 0.00 1.13 0.74 -0.80 -4.94 119.66 113.07 1n7g s GLN 241 Ca 0.05 -0.73 0.00 0.00 0.05 0.00 0.00 55.36 54.73 1n7g s GLN 241 Cb 0.13 0.18 0.00 0.00 1.10 0.00 0.00 33.01 34.42 1n7g s GLN 241 CO 0.73 -0.10 0.00 0.25 -0.55 0.00 0.00 175.29 175.62 1n7g n THR 242 N 1.05 0.00 -4.29 -0.34 -2.24 -1.26 -3.98 114.28 103.21 1n7g n THR 242 Ca -0.20 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.34 1n7g n THR 242 Cb 0.57 -0.75 -0.13 0.00 -2.10 0.00 0.00 70.33 67.93 1n7g n THR 242 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1n7g s LYS 243 N -1.91 1.10 -0.19 -0.78 3.01 -1.26 -4.72 119.74 115.00 1n7g s LYS 243 Ca 0.00 -1.13 -0.01 0.00 -1.01 0.00 0.00 55.97 53.82 1n7g s LYS 243 Cb 0.00 -1.33 0.05 0.00 -1.01 0.00 0.00 37.83 35.54 1n7g s LYS 243 CO 0.00 0.31 -0.02 -1.17 0.51 0.00 0.00 175.35 174.98 1n7g s LEU 244 N -1.85 1.75 -0.18 3.17 2.96 0.13 -5.01 118.68 119.65 1n7g s LEU 244 Ca 0.06 -0.85 -0.16 0.00 -0.22 0.00 0.00 54.13 52.95 1n7g s LEU 244 Cb -0.10 -0.89 -0.04 0.00 0.50 0.00 0.00 46.19 45.66 1n7g s LEU 244 CO 0.04 -0.24 0.41 -0.36 -1.32 0.00 0.00 176.35 174.89 1n7g s PHE 245 N 1.64 3.41 0.41 5.38 0.40 -1.26 -1.65 117.98 126.30 1n7g s PHE 245 Ca -0.02 0.68 0.04 0.00 -0.60 0.00 0.00 56.93 57.04 1n7g s PHE 245 Cb -0.17 -2.52 -0.02 0.00 0.51 0.00 0.00 43.02 40.82 1n7g s PHE 245 CO -0.07 0.04 0.15 -0.51 0.70 0.00 0.00 175.22 175.53 1n7g s LEU 246 N 1.11 1.96 0.00 -0.37 1.43 -0.85 -4.92 118.68 117.04 1n7g s LEU 246 Ca 0.21 -1.71 0.00 0.00 -1.03 0.00 0.00 54.13 51.60 1n7g s LEU 246 Cb -0.15 -0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.05 1n7g s LEU 246 CO 0.08 -0.97 0.00 0.61 0.23 0.00 0.00 176.35 176.30 1n7g n GLY 247 N -0.90 1.24 3.63 -3.19 0.00 -1.26 -0.43 105.19 104.28 1n7g n GLY 247 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1n7g n GLY 247 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1n7g s ASN 248 N 0.30 6.51 0.00 1.61 2.47 -1.26 -4.81 114.94 119.75 1n7g s ASN 248 Ca 0.00 1.32 0.25 0.00 0.42 0.00 0.00 52.86 54.85 1n7g s ASN 248 Cb 0.00 -2.54 0.50 0.00 -1.45 0.00 0.00 41.25 37.76 1n7g s ASN 248 CO 0.00 -1.20 1.41 0.18 -3.72 0.00 0.00 177.10 173.77 1n7g n LEU 249 N 8.11 0.54 -0.18 3.21 4.77 -1.26 -4.07 117.00 128.11 1n7g n LEU 249 Ca 0.17 -0.02 0.12 0.00 -0.03 0.00 0.00 56.01 56.24 1n7g n LEU 249 Cb 0.46 -0.24 0.28 0.00 -2.33 0.00 0.00 43.42 41.59 1n7g n LEU 249 CO 0.64 0.13 0.53 0.00 -1.33 0.00 0.00 177.39 177.36 1n7g n GLN 250 N -1.46 0.57 -1.75 3.23 1.13 -1.26 -1.58 117.38 116.26 1n7g n GLN 250 Ca 0.06 -0.36 -0.42 0.00 -1.94 0.00 0.00 57.00 54.34 1n7g n GLN 250 Cb 0.34 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.18 1n7g n GLN 250 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1n7g n ALA 251 N -0.90 2.52 -2.81 -1.58 0.00 -1.26 -4.75 120.51 111.74 1n7g n ALA 251 Ca 0.09 0.37 -0.34 0.00 0.00 0.00 0.00 53.44 53.56 1n7g n ALA 251 Cb 0.35 -2.46 -0.11 0.00 0.00 0.00 0.00 19.45 17.23 1n7g n ALA 251 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1n7g s SER 252 N 0.37 4.85 0.10 0.00 0.15 0.36 -2.07 113.70 117.47 1n7g s SER 252 Ca 0.62 -0.05 0.03 0.00 0.70 0.00 0.00 55.95 57.25 1n7g s SER 252 Cb -0.49 -1.57 -0.04 0.00 -1.71 0.00 0.00 66.02 62.21 1n7g s SER 252 CO 0.52 0.26 -0.08 -0.13 1.20 0.00 0.00 173.24 175.00 1n7g s ARG 253 N -0.17 0.83 -0.46 5.44 1.81 0.19 -2.09 118.95 124.51 1n7g s ARG 253 Ca 0.03 -1.25 -0.12 0.00 -1.72 0.00 0.00 55.73 52.68 1n7g s ARG 253 Cb -0.13 -0.33 0.09 0.00 -0.45 0.00 0.00 34.95 34.13 1n7g s ARG 253 CO 0.02 0.02 0.34 0.34 -0.68 0.00 0.00 175.30 175.35 1n7g s ASP 254 N -2.78 5.84 -0.24 0.23 3.68 -1.06 -0.38 116.67 121.95 1n7g s ASP 254 Ca 0.09 -1.59 -0.09 0.00 2.13 0.00 0.00 52.55 53.10 1n7g s ASP 254 Cb 0.02 -2.07 -0.04 0.00 -1.45 0.00 0.00 42.92 39.38 1n7g s ASP 254 CO -0.03 -0.64 0.11 0.26 0.13 0.00 0.00 175.17 175.00 1n7g s TRP 255 N 1.48 3.18 0.48 -5.34 0.51 -1.26 -2.97 118.94 115.02 1n7g s TRP 255 Ca 0.04 -0.10 0.02 0.00 -2.12 0.00 0.00 56.10 53.94 1n7g s TRP 255 Cb -0.25 -2.24 -0.02 0.00 -0.81 0.00 0.00 33.47 30.15 1n7g s TRP 255 CO 0.03 -0.14 0.03 0.20 -0.51 0.00 0.00 176.95 176.55 1n7g s GLY 256 N 1.29 2.87 -0.22 0.98 0.00 -0.02 -4.60 107.32 107.62 1n7g s GLY 256 Ca 0.06 -0.78 -0.13 0.00 0.00 0.00 0.00 44.72 43.86 1n7g s GLY 256 CO 0.05 -2.11 0.29 -0.12 0.00 0.00 0.00 173.10 171.20 1n7g s PHE 257 N -2.93 3.35 0.36 1.90 5.36 -1.26 -0.15 117.98 124.61 1n7g s PHE 257 Ca 0.13 0.44 0.12 0.00 -0.96 0.00 0.00 56.93 56.65 1n7g s PHE 257 Cb 0.03 -2.40 0.90 0.00 -0.34 0.00 0.00 43.02 41.21 1n7g s PHE 257 CO 0.07 0.03 1.81 0.00 -1.46 0.00 0.00 175.22 175.67 1n7g h ALA 258 N 7.41 1.94 -0.97 11.12 0.00 -1.41 0.17 119.26 137.52 1n7g h ALA 258 Ca -0.37 0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.66 1n7g h ALA 258 Cb 1.17 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 1n7g h ALA 258 CO 0.69 -0.27 0.63 0.78 0.00 0.00 0.00 179.25 181.08 1n7g h GLY 259 N 0.60 1.47 0.88 0.00 0.00 -1.94 -1.97 103.07 102.11 1n7g h GLY 259 Ca 0.53 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 47.30 1n7g h GLY 259 CO -0.28 0.29 -0.35 -0.55 0.00 0.00 0.00 176.54 175.65 1n7g h ASP 260 N 1.09 0.62 -0.72 0.19 3.45 -1.38 -3.35 116.42 116.32 1n7g h ASP 260 Ca 0.43 -0.55 -0.06 0.00 0.43 0.00 0.00 57.03 57.28 1n7g h ASP 260 Cb 0.24 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 38.80 1n7g h ASP 260 CO -0.18 1.06 0.21 1.88 -1.57 0.00 0.00 179.24 180.64 1n7g h TYR 261 N 0.21 1.17 -0.09 4.55 -1.99 -0.95 -2.87 116.97 116.99 1n7g h TYR 261 Ca 0.01 -0.12 0.02 0.00 2.00 0.00 0.00 58.73 60.64 1n7g h TYR 261 Cb 0.95 -0.34 -0.00 0.00 2.00 0.00 0.00 36.73 39.34 1n7g h TYR 261 CO 0.09 0.93 0.08 -0.39 -0.00 0.00 0.00 178.16 178.88 1n7g h VAL 262 N 1.08 0.61 -0.30 -2.88 -1.51 -1.51 -0.10 116.25 111.64 1n7g h VAL 262 Ca 0.23 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 65.61 1n7g h VAL 262 Cb 0.32 0.93 -0.01 0.00 -2.13 0.00 0.00 31.29 30.40 1n7g h VAL 262 CO -0.01 0.00 -0.22 -0.33 -1.23 0.00 0.00 177.57 175.79 1n7g h GLU 263 N 0.00 0.55 -0.25 5.19 3.07 -1.67 -2.46 114.58 119.01 1n7g h GLU 263 Ca 0.04 -0.20 -0.07 0.00 -0.50 0.00 0.00 59.36 58.62 1n7g h GLU 263 Cb 0.21 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 1n7g h GLU 263 CO -0.00 0.74 -0.17 0.00 -1.40 0.00 0.00 179.01 178.18 1n7g h ALA 264 N 1.27 1.25 -0.04 3.43 0.00 -1.11 -1.67 119.26 122.40 1n7g h ALA 264 Ca 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1n7g h ALA 264 Cb 0.65 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1n7g h ALA 264 CO 0.05 0.49 0.01 0.52 0.00 0.00 0.00 179.25 180.32 1n7g h MET 265 N 0.40 0.03 -0.35 0.00 2.86 -1.27 -1.84 114.93 114.75 1n7g h MET 265 Ca 0.07 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1n7g h MET 265 Cb 0.53 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 1n7g h MET 265 CO 0.03 0.02 0.20 2.35 1.06 0.00 0.00 176.91 180.57 1n7g h TRP 266 N 0.03 0.47 -0.65 -0.22 7.01 -1.28 -3.05 115.95 118.26 1n7g h TRP 266 Ca 0.02 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.09 1n7g h TRP 266 Cb 0.01 -0.15 -0.07 0.00 -2.10 0.00 0.00 29.16 26.85 1n7g h TRP 266 CO -0.09 0.37 0.30 -0.07 -2.79 0.00 0.00 178.44 176.16 1n7g h LEU 267 N 0.44 0.38 -0.99 0.65 3.38 -1.06 -2.05 115.31 116.07 1n7g h LEU 267 Ca 0.12 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.31 1n7g h LEU 267 Cb 0.04 -0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.69 1n7g h LEU 267 CO -0.02 0.23 0.60 0.24 0.09 0.00 0.00 178.44 179.58 1n7g h MET 268 N 0.54 0.83 -0.00 1.13 2.86 -1.22 0.13 114.93 119.19 1n7g h MET 268 Ca 0.31 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1n7g h MET 268 Cb 0.32 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1n7g h MET 268 CO -0.26 0.55 -0.02 1.28 1.06 0.00 0.00 176.91 179.53 1n7g n LEU 269 N -4.71 0.11 -0.41 1.22 4.32 -0.79 -3.18 117.00 113.55 1n7g n LEU 269 Ca 0.21 0.13 0.12 0.00 -0.02 0.00 0.00 56.01 56.45 1n7g n LEU 269 Cb 0.46 -0.17 0.12 0.00 -1.62 0.00 0.00 43.42 42.21 1n7g n LEU 269 CO 0.24 0.02 0.42 0.00 -1.22 0.00 0.00 177.39 176.84 1n7g n GLN 270 N -1.11 1.07 -1.65 3.23 1.13 0.44 -4.94 117.38 115.56 1n7g n GLN 270 Ca 0.18 -0.82 -0.30 0.00 -1.94 0.00 0.00 57.00 54.11 1n7g n GLN 270 Cb 0.21 -1.48 0.07 0.00 0.11 0.00 0.00 30.24 29.15 1n7g n GLN 270 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1n7g s GLN 271 N -2.49 2.42 0.23 -1.09 -1.52 -1.17 -4.96 119.66 111.08 1n7g s GLN 271 Ca 0.20 0.63 0.06 0.00 -1.95 0.00 0.00 55.36 54.30 1n7g s GLN 271 Cb 0.18 -1.96 0.22 0.00 -0.22 0.00 0.00 33.01 31.23 1n7g s GLN 271 CO 0.56 -1.38 1.53 1.05 -0.25 0.00 0.00 175.29 176.80 1n7g h GLU 272 N -0.91 0.17 -6.24 2.91 4.11 -1.92 -3.45 114.58 109.25 1n7g h GLU 272 Ca -0.46 -0.13 -0.58 0.00 0.07 0.00 0.00 59.36 58.26 1n7g h GLU 272 Cb 1.26 0.02 -0.23 0.00 0.50 0.00 0.00 28.75 30.30 1n7g h GLU 272 CO 0.60 0.77 -0.84 0.15 0.07 0.00 0.00 179.01 179.77 1n7g s LYS 273 N -3.60 1.23 0.41 1.06 1.02 -1.26 -5.14 119.74 113.46 1n7g s LYS 273 Ca -0.03 -1.13 -0.21 0.00 0.02 0.00 0.00 55.97 54.62 1n7g s LYS 273 Cb 0.12 -1.49 -0.11 0.00 -0.52 0.00 0.00 37.83 35.83 1n7g s LYS 273 CO 0.80 0.36 0.94 -1.25 -0.92 0.00 0.00 175.35 175.27 1n7g s PRO 274 N -1.74 4.27 0.14 -1.68 0.04 -1.26 -5.00 135.00 129.77 1n7g s PRO 274 Ca 0.08 1.13 -0.10 0.00 0.04 0.00 0.00 61.00 62.15 1n7g s PRO 274 Cb -0.10 -2.27 0.04 0.00 0.04 0.00 0.00 34.50 32.21 1n7g s PRO 274 CO 0.04 0.02 0.48 -3.47 0.04 0.00 0.00 177.00 174.11 1n7g n ASP 275 N -0.48 -1.03 -4.31 6.66 4.64 -1.26 -4.98 116.55 115.79 1n7g n ASP 275 Ca 0.06 -1.62 -0.32 0.00 -1.38 0.00 0.00 54.79 51.53 1n7g n ASP 275 Cb 0.53 1.69 -0.16 0.00 -1.04 0.00 0.00 41.12 42.15 1n7g n ASP 275 CO 0.00 0.00 0.00 -1.81 -0.82 0.00 0.00 177.20 174.57 1n7g s ASP 276 N -2.18 3.39 0.00 1.67 1.01 -1.26 -2.65 116.67 116.65 1n7g s ASP 276 Ca 0.10 -0.44 0.02 0.00 0.71 0.00 0.00 52.55 52.94 1n7g s ASP 276 Cb -0.02 -1.09 -0.01 0.00 1.01 0.00 0.00 42.92 42.81 1n7g s ASP 276 CO 0.04 0.23 -0.06 -0.31 0.21 0.00 0.00 175.17 175.28 1n7g s TYR 277 N -0.06 0.55 0.03 4.23 1.51 -0.80 -4.94 117.35 117.89 1n7g s TYR 277 Ca -0.06 -0.15 -0.23 0.00 -1.01 0.00 0.00 57.07 55.62 1n7g s TYR 277 Cb -0.14 -0.35 -0.06 0.00 -0.11 0.00 0.00 41.96 41.30 1n7g s TYR 277 CO 0.05 -0.02 0.69 0.08 -1.11 0.00 0.00 175.55 175.24 1n7g s VAL 278 N -0.31 4.78 -0.20 0.71 1.01 -1.26 -0.36 120.40 124.78 1n7g s VAL 278 Ca 0.01 1.47 0.01 0.00 0.00 0.00 0.00 61.98 63.46 1n7g s VAL 278 Cb -0.03 -4.04 0.04 0.00 0.00 0.00 0.00 36.38 32.35 1n7g s VAL 278 CO -0.00 0.40 -0.13 -0.69 0.00 0.00 0.00 175.10 174.69 1n7g s VAL 279 N -0.22 1.77 0.35 2.92 1.01 -0.61 -4.44 120.40 121.18 1n7g s VAL 279 Ca 0.35 -1.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.14 1n7g s VAL 279 Cb -0.20 -1.78 0.05 0.00 0.00 0.00 0.00 36.38 34.46 1n7g s VAL 279 CO 0.21 0.25 0.80 0.00 0.00 0.00 0.00 175.10 176.35 1n7g s ALA 280 N 1.36 -0.89 -0.24 5.51 0.00 -1.26 -1.68 121.76 124.56 1n7g s ALA 280 Ca -0.00 -0.64 0.22 0.00 0.00 0.00 0.00 51.96 51.53 1n7g s ALA 280 Cb -0.16 0.71 -0.29 0.00 0.00 0.00 0.00 23.12 23.38 1n7g s ALA 280 CO -0.09 -1.00 0.61 0.25 0.00 0.00 0.00 175.76 175.53 1n7g n THR 281 N -0.53 0.04 -1.07 0.00 -2.24 -1.26 -4.72 114.28 104.49 1n7g n THR 281 Ca -0.07 -0.40 -0.03 0.00 -2.27 0.00 0.00 64.05 61.28 1n7g n THR 281 Cb 0.60 0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.99 1n7g n THR 281 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n7g n GLU 282 N -2.13 -0.63 -4.25 -0.78 1.02 -1.26 -5.00 120.64 107.62 1n7g n GLU 282 Ca -0.02 0.38 -0.32 0.00 -0.02 0.00 0.00 57.16 57.18 1n7g n GLU 282 Cb 0.52 -4.00 -0.16 0.00 -0.02 0.00 0.00 31.44 27.78 1n7g n GLU 282 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1n7g s GLU 283 N -1.36 2.73 0.00 3.49 0.41 -1.26 -4.82 118.70 117.89 1n7g s GLU 283 Ca 0.00 -0.73 -0.02 0.00 -0.41 0.00 0.00 54.97 53.80 1n7g s GLU 283 Cb 0.00 -2.35 -0.04 0.00 -1.78 0.00 0.00 34.13 29.96 1n7g s GLU 283 CO 0.00 -0.16 0.19 0.20 -0.49 0.00 0.00 175.26 175.00 1n7g s GLY 284 N 1.21 2.18 0.02 -1.39 0.00 -1.26 -4.19 107.32 103.89 1n7g s GLY 284 Ca 0.01 -0.77 -0.09 0.00 0.00 0.00 0.00 44.72 43.87 1n7g s GLY 284 CO -0.09 -0.67 0.19 0.30 0.00 0.00 0.00 173.10 172.83 1n7g s HIS 285 N -1.36 0.03 0.46 1.90 3.76 0.49 -4.92 115.29 115.64 1n7g s HIS 285 Ca 0.29 -0.17 -0.01 0.00 -0.15 0.00 0.00 55.06 55.01 1n7g s HIS 285 Cb -0.13 -0.02 -0.01 0.00 1.11 0.00 0.00 32.58 33.53 1n7g s HIS 285 CO 0.20 -0.38 0.70 0.95 -0.85 0.00 0.00 174.74 175.37 1n7g s THR 286 N -2.05 4.23 0.47 1.30 -4.23 -1.26 0.57 115.64 114.67 1n7g s THR 286 Ca -0.09 -0.33 0.14 0.00 -1.18 0.00 0.00 61.69 60.23 1n7g s THR 286 Cb -0.04 -3.58 0.23 0.00 1.34 0.00 0.00 72.50 70.46 1n7g s THR 286 CO -0.01 -0.45 2.07 0.58 -0.54 0.00 0.00 174.62 176.27 1n7g h VAL 287 N 0.34 1.07 -0.26 2.29 2.07 -1.01 -1.68 116.25 119.07 1n7g h VAL 287 Ca -0.47 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 1n7g h VAL 287 Cb 1.24 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1n7g h VAL 287 CO 0.59 0.09 0.01 -0.08 0.02 0.00 0.00 177.57 178.20 1n7g h GLU 288 N 0.10 0.45 -0.63 1.57 4.81 -1.60 -1.53 114.58 117.76 1n7g h GLU 288 Ca 0.02 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1n7g h GLU 288 Cb 0.12 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1n7g h GLU 288 CO 0.00 0.61 0.42 0.93 -0.73 0.00 0.00 179.01 180.24 1n7g h GLU 289 N 0.24 0.79 -0.71 1.92 5.08 -1.65 0.23 114.58 120.48 1n7g h GLU 289 Ca 0.08 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1n7g h GLU 289 Cb 0.39 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1n7g h GLU 289 CO 0.01 0.52 0.26 0.35 -1.00 0.00 0.00 179.01 179.15 1n7g h PHE 290 N 0.81 1.08 -0.44 4.33 3.57 -0.85 -1.85 116.94 123.59 1n7g h PHE 290 Ca 0.24 -0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 1n7g h PHE 290 Cb -0.03 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.37 1n7g h PHE 290 CO -0.00 0.84 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.75 1n7g h LEU 291 N 1.03 0.85 0.01 0.59 3.38 -0.02 -1.63 115.31 119.51 1n7g h LEU 291 Ca 0.23 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1n7g h LEU 291 Cb 0.23 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1n7g h LEU 291 CO -0.02 1.01 -0.01 0.44 0.09 0.00 0.00 178.44 179.96 1n7g h ASP 292 N 0.67 -0.01 0.36 -0.43 3.32 -0.78 -1.70 116.42 117.84 1n7g h ASP 292 Ca 0.11 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1n7g h ASP 292 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1n7g h ASP 292 CO 0.04 0.06 -0.17 0.58 -1.72 0.00 0.00 179.24 178.04 1n7g h VAL 293 N -0.09 0.66 0.14 -1.35 2.07 -1.33 0.22 116.25 116.57 1n7g h VAL 293 Ca -0.00 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1n7g h VAL 293 Cb 0.08 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1n7g h VAL 293 CO 0.00 0.01 -0.07 0.77 0.02 0.00 0.00 177.57 178.30 1n7g h SER 294 N -0.50 -0.16 -0.35 0.57 4.64 -1.32 -1.05 113.55 115.37 1n7g h SER 294 Ca -0.05 -0.15 -0.09 0.00 -0.47 0.00 0.00 61.79 61.02 1n7g h SER 294 Cb 0.38 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1n7g h SER 294 CO 0.08 0.06 -0.15 -0.26 -0.87 0.00 0.00 176.83 175.69 1n7g h PHE 295 N -0.39 0.82 -0.21 4.77 -1.00 -1.38 -2.81 116.94 116.74 1n7g h PHE 295 Ca -0.02 -0.20 0.02 0.00 2.81 0.00 0.00 57.97 60.58 1n7g h PHE 295 Cb 0.31 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 1n7g h PHE 295 CO -0.01 0.91 0.14 0.78 -1.61 0.00 0.00 178.31 178.52 1n7g h GLY 296 N 0.50 0.24 2.00 -1.45 0.00 -0.55 0.07 103.07 103.87 1n7g h GLY 296 Ca 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1n7g h GLY 296 CO 0.05 0.08 -0.11 -1.82 0.00 0.00 0.00 176.54 174.74 1n7g h TYR 297 N 0.22 0.00 -0.59 5.60 3.20 -0.91 -1.37 116.97 123.11 1n7g h TYR 297 Ca 0.08 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1n7g h TYR 297 Cb 0.07 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.34 1n7g h TYR 297 CO -0.00 0.11 0.00 1.28 -1.64 0.00 0.00 178.16 177.91 1n7g n LEU 298 N -4.29 3.75 -1.20 2.82 4.77 -0.15 -4.95 117.00 117.75 1n7g n LEU 298 Ca -0.03 -2.09 -0.09 0.00 -0.03 0.00 0.00 56.01 53.78 1n7g n LEU 298 Cb 0.18 -0.42 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 1n7g n LEU 298 CO 0.34 0.88 -0.05 0.61 -1.33 0.00 0.00 177.39 177.84 1n7g n GLY 299 N 1.17 0.10 3.39 -0.72 0.00 -0.52 -5.04 105.19 103.58 1n7g n GLY 299 Ca 0.21 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 1n7g n GLY 299 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n7g s LEU 300 N -2.78 2.44 -0.31 0.99 1.43 -0.24 -4.99 118.68 115.23 1n7g s LEU 300 Ca 0.07 -0.87 -0.10 0.00 -1.03 0.00 0.00 54.13 52.19 1n7g s LEU 300 Cb -0.03 -1.03 -0.02 0.00 0.03 0.00 0.00 46.19 45.14 1n7g s LEU 300 CO 0.08 0.06 0.17 0.21 0.23 0.00 0.00 176.35 177.10 1n7g s ASN 301 N -2.71 5.71 0.53 2.29 3.84 -1.26 -3.32 114.94 120.03 1n7g s ASN 301 Ca 0.19 -0.42 0.29 0.00 0.21 0.00 0.00 52.86 53.13 1n7g s ASN 301 Cb -0.07 -2.05 1.51 0.00 -0.55 0.00 0.00 41.25 40.09 1n7g s ASN 301 CO 0.09 -0.18 2.08 4.11 -2.79 0.00 0.00 177.10 180.41 1n7g h TRP 302 N 8.38 0.00 0.00 0.43 5.08 -1.92 -1.80 115.95 126.12 1n7g h TRP 302 Ca -0.33 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.64 1n7g h TRP 302 Cb 1.16 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.32 1n7g h TRP 302 CO 0.66 0.10 0.00 1.63 -1.28 0.00 0.00 178.44 179.55 1n7g n LYS 303 N -3.55 0.08 -0.01 0.12 5.02 -1.26 -0.82 118.16 117.73 1n7g n LYS 303 Ca -0.02 0.44 0.13 0.00 -2.02 0.00 0.00 58.31 56.85 1n7g n LYS 303 Cb 0.23 -1.69 0.34 0.00 -0.02 0.00 0.00 35.03 33.89 1n7g n LYS 303 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1n7g n ASP 304 N -1.84 2.17 0.00 4.39 8.00 -0.68 -4.44 116.55 124.16 1n7g n ASP 304 Ca 0.01 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.79 1n7g n ASP 304 Cb 0.11 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1n7g n ASP 304 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1n7g n TYR 305 N 0.70 0.00 -3.37 1.24 4.02 -0.33 -5.01 117.16 114.40 1n7g n TYR 305 Ca 0.17 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.68 1n7g n TYR 305 Cb 0.46 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.72 1n7g n TYR 305 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1n7g s VAL 306 N -0.19 5.13 -0.02 -0.72 1.01 -0.00 0.17 120.40 125.78 1n7g s VAL 306 Ca 0.00 0.91 0.03 0.00 0.00 0.00 0.00 61.98 62.92 1n7g s VAL 306 Cb 0.00 -3.78 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 1n7g s VAL 306 CO 0.00 0.41 -0.10 -1.61 0.00 0.00 0.00 175.10 173.80 1n7g s GLU 307 N 0.09 0.97 0.03 2.72 2.02 -0.66 -4.88 118.70 118.99 1n7g s GLU 307 Ca 0.25 -0.34 -0.30 0.00 0.02 0.00 0.00 54.97 54.60 1n7g s GLU 307 Cb -0.16 -0.91 -0.04 0.00 0.10 0.00 0.00 34.13 33.12 1n7g s GLU 307 CO 0.11 0.15 0.97 0.42 0.02 0.00 0.00 175.26 176.93 1n7g s ILE 308 N 0.06 4.76 -0.24 -1.63 -1.09 -1.26 -2.01 121.20 119.79 1n7g s ILE 308 Ca -0.01 2.05 0.02 0.00 -2.23 0.00 0.00 60.65 60.48 1n7g s ILE 308 Cb -0.07 -4.31 0.05 0.00 -1.58 0.00 0.00 42.46 36.55 1n7g s ILE 308 CO 0.00 0.21 -0.11 -0.62 -1.23 0.00 0.00 174.94 173.20 1n7g s ASP 309 N 0.68 4.03 0.60 3.58 3.68 0.43 -4.91 116.67 124.76 1n7g s ASP 309 Ca 0.50 -1.20 0.27 0.00 2.13 0.00 0.00 52.55 54.26 1n7g s ASP 309 Cb -0.22 -1.42 1.22 0.00 -1.45 0.00 0.00 42.92 41.05 1n7g s ASP 309 CO 0.28 -0.17 1.62 0.06 0.13 0.00 0.00 175.17 177.09 1n7g h GLN 310 N 7.86 0.00 0.00 4.34 3.07 -1.96 0.02 115.11 128.43 1n7g h GLN 310 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.51 1n7g h GLN 310 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.63 1n7g h GLN 310 CO 0.47 0.00 0.00 0.00 0.09 0.00 0.00 178.83 179.39 1n7g h ARG 311 N 0.00 0.00 -0.31 0.06 3.08 -1.94 -2.92 114.38 112.35 1n7g h ARG 311 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1n7g h ARG 311 Cb 1.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.97 1n7g h ARG 311 CO -0.00 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.56 1n7g n TYR 312 N -2.96 0.40 -3.37 3.04 0.53 -0.01 -4.85 117.16 109.95 1n7g n TYR 312 Ca 0.01 -0.20 -0.38 0.00 -1.02 0.00 0.00 57.90 56.31 1n7g n TYR 312 Cb 0.30 0.00 -0.06 0.00 -1.03 0.00 0.00 39.34 38.55 1n7g n TYR 312 CO 0.00 0.00 0.00 -0.06 -1.02 0.00 0.00 176.86 175.78 1n7g s PHE 313 N -1.60 3.72 0.22 -0.72 0.08 -1.11 -4.53 117.98 114.05 1n7g s PHE 313 Ca 0.30 1.10 -0.17 0.00 0.12 0.00 0.00 56.93 58.27 1n7g s PHE 313 Cb 0.16 -2.42 -0.08 0.00 -0.57 0.00 0.00 43.02 40.11 1n7g s PHE 313 CO 0.22 0.54 0.68 1.03 -0.10 0.00 0.00 175.22 177.59 1n7g s ARG 314 N -0.79 4.14 0.38 0.44 3.00 -1.26 -4.96 118.95 119.89 1n7g s ARG 314 Ca 0.26 0.73 0.14 0.00 0.00 0.00 0.00 55.73 56.87 1n7g s ARG 314 Cb -0.18 -2.83 0.99 0.00 0.00 0.00 0.00 34.95 32.94 1n7g s ARG 314 CO 0.15 0.38 1.81 -1.35 0.00 0.00 0.00 175.30 176.29 1n7g h PRO 315 N 3.27 0.49 -3.77 3.54 0.11 -1.97 -3.36 132.00 130.31 1n7g h PRO 315 Ca -0.48 -0.03 -0.41 0.00 0.11 0.00 0.00 66.00 65.19 1n7g h PRO 315 Cb 1.19 -0.11 -0.36 0.00 0.11 0.00 0.00 31.00 31.82 1n7g h PRO 315 CO 0.65 0.33 -0.76 0.00 -0.21 0.00 0.00 178.00 178.01 1n7g s ALA 316 N -5.57 0.62 0.20 -0.75 0.00 -1.26 -5.15 121.76 109.85 1n7g s ALA 316 Ca -0.09 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 51.84 1n7g s ALA 316 Cb 0.24 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1n7g s ALA 316 CO 0.79 -0.30 0.35 -2.00 0.00 0.00 0.00 175.76 174.61 1n7g s GLU 317 N 1.58 3.46 -0.36 0.00 2.56 -1.26 -4.78 118.70 119.90 1n7g s GLU 317 Ca -0.01 -0.56 -0.05 0.00 0.00 0.00 0.00 54.97 54.34 1n7g s GLU 317 Cb -0.13 -2.89 0.06 0.00 2.00 0.00 0.00 34.13 33.18 1n7g s GLU 317 CO -0.03 0.44 0.14 0.08 -0.56 0.00 0.00 175.26 175.32 1n7g s VAL 318 N -1.89 3.62 -0.03 3.70 1.01 -1.26 -4.77 120.40 120.78 1n7g s VAL 318 Ca 0.36 -1.43 -0.24 0.00 0.00 0.00 0.00 61.98 60.67 1n7g s VAL 318 Cb -0.10 -3.18 -0.18 0.00 0.00 0.00 0.00 36.38 32.92 1n7g s VAL 318 CO 0.29 -0.34 1.09 0.44 0.00 0.00 0.00 175.10 176.58 1n7g h ASP 319 N 8.18 -0.14 -3.17 3.32 3.45 -1.90 -3.42 116.42 122.73 1n7g h ASP 319 Ca -0.21 -0.39 -0.28 0.00 0.43 0.00 0.00 57.03 56.58 1n7g h ASP 319 Cb 1.07 0.04 -0.35 0.00 -0.56 0.00 0.00 39.33 39.53 1n7g h ASP 319 CO 0.64 0.37 -0.63 0.21 -1.57 0.00 0.00 179.24 178.26 1n7g s ASN 320 N -5.50 0.56 -0.12 6.45 2.47 -1.26 -0.49 114.94 117.05 1n7g s ASN 320 Ca -0.14 0.32 0.01 0.00 0.42 0.00 0.00 52.86 53.46 1n7g s ASN 320 Cb 0.01 0.24 0.02 0.00 -1.45 0.00 0.00 41.25 40.07 1n7g s ASN 320 CO 0.57 -0.22 -0.13 -0.76 -3.72 0.00 0.00 177.10 172.84 1n7g s LEU 321 N 2.03 1.60 -0.16 3.21 1.43 -0.89 -4.38 118.68 121.51 1n7g s LEU 321 Ca 0.00 -0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 1n7g s LEU 321 Cb -0.12 -1.04 0.08 0.00 0.03 0.00 0.00 46.19 45.14 1n7g s LEU 321 CO -0.06 -0.03 0.28 -1.58 0.23 0.00 0.00 176.35 175.20 1n7g s GLN 322 N 1.24 0.20 0.55 1.70 0.74 -1.26 -2.57 119.66 120.24 1n7g s GLN 322 Ca -0.02 0.66 -0.03 0.00 0.05 0.00 0.00 55.36 56.01 1n7g s GLN 322 Cb -0.14 -0.26 0.01 0.00 1.10 0.00 0.00 33.01 33.72 1n7g s GLN 322 CO -0.05 -0.39 0.82 0.20 -0.55 0.00 0.00 175.29 175.32 1n7g s GLY 323 N 2.44 1.62 -0.34 2.59 0.00 -1.26 -1.20 107.32 111.16 1n7g s GLY 323 Ca 0.03 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 43.90 1n7g s GLY 323 CO -0.10 -0.62 0.05 -0.35 0.00 0.00 0.00 173.10 172.07 1n7g s ASP 324 N -4.30 4.80 -0.56 1.64 3.68 -0.18 -4.06 116.67 117.69 1n7g s ASP 324 Ca 0.53 -1.95 0.01 0.00 2.13 0.00 0.00 52.55 53.26 1n7g s ASP 324 Cb -0.10 -1.65 0.54 0.00 -1.45 0.00 0.00 42.92 40.25 1n7g s ASP 324 CO 0.42 -0.37 1.96 0.00 0.13 0.00 0.00 175.17 177.31 1n7g n ALA 325 N 4.36 5.98 0.21 3.66 0.00 -1.26 -4.64 120.51 128.81 1n7g n ALA 325 Ca -0.01 -3.25 -0.15 0.00 0.00 0.00 0.00 53.44 50.03 1n7g n ALA 325 Cb 0.42 -1.59 -0.08 0.00 0.00 0.00 0.00 19.45 18.20 1n7g n ALA 325 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1n7g h SER 326 N 1.59 -0.41 -0.91 0.00 0.02 -1.94 -2.59 113.55 109.32 1n7g h SER 326 Ca 0.61 -0.04 0.15 0.00 -0.84 0.00 0.00 61.79 61.66 1n7g h SER 326 Cb 1.66 0.10 -0.09 0.00 0.14 0.00 0.00 62.40 64.21 1n7g h SER 326 CO 1.36 -0.21 0.51 0.50 -1.14 0.00 0.00 176.83 177.84 1n7g h LYS 327 N -0.57 0.70 -0.41 3.45 3.64 -1.91 0.17 116.57 121.64 1n7g h LYS 327 Ca -0.05 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1n7g h LYS 327 Cb 0.42 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1n7g h LYS 327 CO 0.08 0.47 0.06 0.00 -2.27 0.00 0.00 179.45 177.78 1n7g h ALA 328 N 1.57 0.55 -0.45 5.00 0.00 -1.75 0.13 119.26 124.31 1n7g h ALA 328 Ca 0.49 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1n7g h ALA 328 Cb 0.67 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1n7g h ALA 328 CO -0.35 0.28 0.08 -0.22 0.00 0.00 0.00 179.25 179.04 1n7g h LYS 329 N 0.54 0.73 -0.22 0.00 3.64 -0.86 0.30 116.57 120.71 1n7g h LYS 329 Ca 0.12 -0.19 -0.11 0.00 -1.27 0.00 0.00 60.65 59.20 1n7g h LYS 329 Cb 0.39 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1n7g h LYS 329 CO 0.01 0.75 -0.31 0.93 -2.27 0.00 0.00 179.45 178.57 1n7g h GLU 330 N 0.60 0.60 0.08 1.90 5.08 -0.60 -1.62 114.58 120.62 1n7g h GLU 330 Ca 0.14 -0.35 -0.36 0.00 -1.00 0.00 0.00 59.36 57.79 1n7g h GLU 330 Cb 0.37 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1n7g h GLU 330 CO 0.01 0.95 -2.08 0.28 -1.00 0.00 0.00 179.01 177.17 1n7g n VAL 331 N -4.31 1.69 0.59 3.13 0.31 0.43 -4.45 118.33 115.72 1n7g n VAL 331 Ca -0.05 -0.67 0.11 0.00 -0.01 0.00 0.00 64.34 63.72 1n7g n VAL 331 Cb 0.48 -1.53 -0.04 0.00 -0.91 0.00 0.00 33.84 31.83 1n7g n VAL 331 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1n7g n LEU 332 N -3.35 0.60 -1.14 7.52 4.77 0.96 -4.94 117.00 121.41 1n7g n LEU 332 Ca -0.33 -0.14 -0.14 0.00 -0.03 0.00 0.00 56.01 55.37 1n7g n LEU 332 Cb 1.04 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 42.02 1n7g n LEU 332 CO 0.40 0.09 -0.14 0.61 -1.33 0.00 0.00 177.39 177.02 1n7g n GLY 333 N 1.39 1.15 3.83 -0.72 0.00 -0.61 -4.96 105.19 105.27 1n7g n GLY 333 Ca 0.02 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 1n7g n GLY 333 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1n7g s TRP 334 N -2.54 3.70 -0.17 1.61 -0.00 -1.12 -4.94 118.94 115.47 1n7g s TRP 334 Ca 0.00 1.14 -0.20 0.00 -0.00 0.00 0.00 56.10 57.04 1n7g s TRP 334 Cb 0.00 -2.41 0.05 0.00 -0.00 0.00 0.00 33.47 31.11 1n7g s TRP 334 CO 0.00 0.52 0.54 0.15 -0.00 0.00 0.00 176.95 178.16 1n7g s LYS 335 N -1.52 0.70 0.34 5.86 3.01 -1.26 -3.46 119.74 123.40 1n7g s LYS 335 Ca 0.33 0.60 -0.28 0.00 -1.01 0.00 0.00 55.97 55.60 1n7g s LYS 335 Cb -0.17 0.34 -0.10 0.00 -1.01 0.00 0.00 37.83 36.89 1n7g s LYS 335 CO 0.18 -0.12 1.26 -1.25 0.51 0.00 0.00 175.35 175.93 1n7g s PRO 336 N -0.07 4.33 -0.22 -1.68 0.04 -1.26 -4.95 135.00 131.19 1n7g s PRO 336 Ca -0.03 2.10 0.02 0.00 0.04 0.00 0.00 61.00 63.13 1n7g s PRO 336 Cb -0.03 -3.02 -0.20 0.00 0.04 0.00 0.00 34.50 31.29 1n7g s PRO 336 CO 0.02 -0.16 -0.06 1.04 0.04 0.00 0.00 177.00 177.88 1n7g n GLN 337 N 0.72 0.67 -3.33 4.56 6.02 -1.26 -4.90 117.38 119.86 1n7g n GLN 337 Ca 0.01 0.16 -0.39 0.00 -0.01 0.00 0.00 57.00 56.77 1n7g n GLN 337 Cb 0.43 -1.56 -0.08 0.00 1.02 0.00 0.00 30.24 30.05 1n7g n GLN 337 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1n7g s VAL 338 N -2.53 5.15 0.75 5.09 1.01 -1.26 -5.07 120.40 123.54 1n7g s VAL 338 Ca -0.29 0.77 -0.05 0.00 0.00 0.00 0.00 61.98 62.41 1n7g s VAL 338 Cb 0.08 -3.77 0.12 0.00 0.00 0.00 0.00 36.38 32.81 1n7g s VAL 338 CO 0.66 0.19 1.04 -0.83 0.00 0.00 0.00 175.10 176.16 1n7g s GLY 339 N 1.25 1.76 0.00 4.51 0.00 -1.26 -4.53 107.32 109.05 1n7g s GLY 339 Ca 0.20 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.51 1n7g s GLY 339 CO 0.09 -0.86 0.99 0.33 0.00 0.00 0.00 173.10 173.65 1n7g n PHE 340 N -2.99 0.00 -0.29 1.90 -0.00 -1.26 -0.58 117.46 114.23 1n7g n PHE 340 Ca 0.13 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.62 1n7g n PHE 340 Cb 0.60 -0.49 0.18 0.00 -0.00 0.00 0.00 39.48 39.77 1n7g n PHE 340 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1n7g h GLU 341 N 0.00 0.73 -0.75 -4.13 5.08 -1.97 -0.09 114.58 113.46 1n7g h GLU 341 Ca 0.00 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1n7g h GLU 341 Cb 0.00 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 1n7g h GLU 341 CO 0.00 0.48 0.47 -0.22 -1.00 0.00 0.00 179.01 178.75 1n7g h LYS 342 N 0.75 0.89 -0.27 2.33 3.64 -1.90 0.37 116.57 122.39 1n7g h LYS 342 Ca 0.42 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 1n7g h LYS 342 Cb 0.44 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1n7g h LYS 342 CO -0.28 0.59 0.14 1.25 -2.27 0.00 0.00 179.45 178.89 1n7g h LEU 343 N 0.92 0.34 -0.07 5.20 5.85 0.88 -0.60 115.31 127.82 1n7g h LEU 343 Ca 0.30 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1n7g h LEU 343 Cb 0.02 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1n7g h LEU 343 CO -0.11 0.34 0.05 0.58 -0.34 0.00 0.00 178.44 178.95 1n7g h VAL 344 N 0.31 1.03 -0.36 1.05 2.07 -0.53 -1.78 116.25 118.04 1n7g h VAL 344 Ca 0.09 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 1n7g h VAL 344 Cb 0.08 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1n7g h VAL 344 CO -0.01 0.02 0.06 0.11 0.02 0.00 0.00 177.57 177.77 1n7g h LYS 345 N 0.09 0.53 0.18 1.57 1.57 -0.84 -0.26 116.57 119.42 1n7g h LYS 345 Ca 0.03 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1n7g h LYS 345 Cb -0.00 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1n7g h LYS 345 CO -0.01 0.51 -0.09 1.98 -0.57 0.00 0.00 179.45 181.28 1n7g h MET 346 N 0.52 -0.24 -0.59 3.15 4.05 -0.72 -0.09 114.93 121.00 1n7g h MET 346 Ca 0.12 0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.52 1n7g h MET 346 Cb 0.24 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.07 1n7g h MET 346 CO 0.00 -0.14 0.22 0.52 0.23 0.00 0.00 176.91 177.74 1n7g h MET 347 N -0.27 0.90 -0.55 0.39 2.86 -0.94 -2.60 114.93 114.71 1n7g h MET 347 Ca -0.03 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1n7g h MET 347 Cb 0.21 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 1n7g h MET 347 CO 0.04 0.78 0.30 0.28 1.06 0.00 0.00 176.91 179.36 1n7g h VAL 348 N 0.83 1.19 -0.05 -2.22 2.07 -0.91 -1.85 116.25 115.29 1n7g h VAL 348 Ca 0.20 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.25 1n7g h VAL 348 Cb 0.23 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1n7g h VAL 348 CO -0.01 0.20 -0.07 0.44 0.02 0.00 0.00 177.57 178.15 1n7g h ASP 349 N 0.74 -0.22 -0.35 0.57 3.32 -0.82 0.62 116.42 120.28 1n7g h ASP 349 Ca 0.19 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1n7g h ASP 349 Cb 0.06 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1n7g h ASP 349 CO -0.03 -0.10 0.13 -0.33 -1.72 0.00 0.00 179.24 177.19 1n7g h GLU 350 N -0.10 0.53 0.00 3.56 4.39 -1.39 -2.15 114.58 119.42 1n7g h GLU 350 Ca 0.05 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 1n7g h GLU 350 Cb 0.17 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1n7g h GLU 350 CO -0.12 0.53 -0.21 -0.44 -1.16 0.00 0.00 179.01 177.61 1n7g h ASP 351 N 0.42 0.00 -0.09 1.42 3.45 -1.19 -0.41 116.42 120.02 1n7g h ASP 351 Ca 0.12 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.46 1n7g h ASP 351 Cb 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 1n7g h ASP 351 CO -0.01 0.21 -0.39 0.25 -1.57 0.00 0.00 179.24 177.73 1n7g h LEU 352 N 0.00 0.49 -1.04 1.55 5.85 -0.66 -0.03 115.31 121.48 1n7g h LEU 352 Ca -0.00 -0.64 -0.07 0.00 0.84 0.00 0.00 57.88 58.01 1n7g h LEU 352 Cb 0.65 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1n7g h LEU 352 CO 0.03 1.05 -0.04 -0.08 -0.34 0.00 0.00 178.44 179.06 1n7g h GLU 353 N -0.03 0.64 -0.25 1.25 4.57 -1.17 0.66 114.58 120.24 1n7g h GLU 353 Ca -0.02 -0.17 -0.06 0.00 -1.18 0.00 0.00 59.36 57.92 1n7g h GLU 353 Cb 1.04 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 1n7g h GLU 353 CO 0.08 0.69 -0.09 1.25 -1.18 0.00 0.00 179.01 179.76 1n7g h LEU 354 N 0.60 0.52 -0.40 1.64 5.85 -1.01 -1.59 115.31 120.92 1n7g h LEU 354 Ca 0.12 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 1n7g h LEU 354 Cb 0.44 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1n7g h LEU 354 CO 0.02 0.79 0.25 0.00 -0.34 0.00 0.00 178.44 179.16 1n7g h ALA 355 N 0.74 0.51 -0.53 1.25 0.00 -0.54 -0.95 119.26 119.74 1n7g h ALA 355 Ca 0.06 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1n7g h ALA 355 Cb 0.58 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1n7g h ALA 355 CO 0.03 -0.01 0.32 0.87 0.00 0.00 0.00 179.25 180.46 1n7g h LYS 356 N 0.53 0.61 0.00 0.00 1.57 -0.80 -0.74 116.57 117.73 1n7g h LYS 356 Ca 0.14 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1n7g h LYS 356 Cb -0.01 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1n7g h LYS 356 CO -0.03 0.40 -0.16 0.00 -0.57 0.00 0.00 179.45 179.10 1n7g h ARG 357 N 0.63 0.00 -0.07 3.15 3.08 -0.89 -2.34 114.38 117.94 1n7g h ARG 357 Ca 0.21 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.22 1n7g h ARG 357 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1n7g h ARG 357 CO -0.10 0.16 -0.14 0.93 -1.07 0.00 0.00 179.97 179.75 1n7g h GLU 358 N 0.00 0.21 -0.78 0.04 5.08 -0.04 -2.49 114.58 116.59 1n7g h GLU 358 Ca -0.00 -0.14 0.15 0.00 -1.00 0.00 0.00 59.36 58.38 1n7g h GLU 358 Cb 0.28 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.45 1n7g h GLU 358 CO 0.02 0.73 0.32 -0.22 -1.00 0.00 0.00 179.01 178.85 1n7g h LYS 359 N -0.29 0.43 -0.52 2.33 1.63 -0.84 0.30 116.57 119.60 1n7g h LYS 359 Ca 0.00 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 1n7g h LYS 359 Cb 0.72 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.23 1n7g h LYS 359 CO 0.03 0.28 0.20 0.28 -3.45 0.00 0.00 179.45 176.79 1n7g h VAL 360 N 0.44 1.22 0.00 2.00 2.07 -1.39 -1.00 116.25 119.59 1n7g h VAL 360 Ca 0.44 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1n7g h VAL 360 Cb 0.69 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1n7g h VAL 360 CO -0.42 0.26 -0.09 -0.07 0.02 0.00 0.00 177.57 177.27 1n7g h LEU 361 N 0.71 0.00 0.00 2.57 3.38 -0.53 -2.86 115.31 118.58 1n7g h LEU 361 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1n7g h LEU 361 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1n7g h LEU 361 CO -0.01 0.09 -0.00 0.58 0.09 0.00 0.00 178.44 179.18 1n7g h VAL 362 N 0.00 1.64 0.00 1.22 2.07 0.04 -0.85 116.25 120.37 1n7g h VAL 362 Ca -0.00 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.52 1n7g h VAL 362 Cb 0.62 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 1n7g h VAL 362 CO 0.01 0.51 0.00 0.47 0.02 0.00 0.00 177.57 178.58 1n7g n ASP 363 N -4.68 0.00 0.00 0.57 10.43 -0.43 -1.97 116.55 120.47 1n7g n ASP 363 Ca -0.09 -1.13 0.00 0.00 2.57 0.00 0.00 54.79 56.14 1n7g n ASP 363 Cb 0.41 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.37 1n7g n ASP 363 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1n7g n ALA 364 N -0.51 1.97 -0.45 2.24 0.00 -1.09 -5.01 120.51 117.66 1n7g n ALA 364 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1n7g n ALA 364 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1n7g n ALA 364 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n7g n GLY 365 N 1.23 0.74 0.20 0.00 0.00 -0.83 -4.94 105.19 101.59 1n7g n GLY 365 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1n7g n GLY 365 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1n7g h TYR 366 N 0.00 0.00 0.00 1.61 -1.99 -1.40 -3.50 116.97 111.70 1n7g h TYR 366 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1n7g h TYR 366 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1n7g h TYR 366 CO 0.00 0.31 0.00 0.00 -0.00 0.00 0.00 178.16 178.47