#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3if9 s LYS 2 N 0.00 0.71 0.11 2.12 1.02 -1.26 -5.00 119.74 117.45 3if9 s LYS 2 Ca 0.00 0.01 0.10 0.00 0.02 0.00 0.00 55.97 56.10 3if9 s LYS 2 Cb 0.00 -1.81 -0.17 0.00 -0.52 0.00 0.00 37.83 35.33 3if9 s LYS 2 CO 0.00 -2.43 1.17 0.00 -0.92 0.00 0.00 175.35 173.16 3if9 h ARG 3 N -1.66 0.00 -3.41 1.68 3.08 -1.94 -3.46 114.38 108.67 3if9 h ARG 3 Ca -0.47 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.39 3if9 h ARG 3 Cb 1.30 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 31.09 3if9 h ARG 3 CO 0.51 0.79 -0.55 -1.58 -1.07 0.00 0.00 179.97 178.07 3if9 s HIS 4 N -2.74 -0.13 0.11 3.04 5.04 -1.26 -0.50 115.29 118.85 3if9 s HIS 4 Ca 0.00 0.33 0.05 0.00 -1.54 0.00 0.00 55.06 53.90 3if9 s HIS 4 Cb 0.09 0.04 -0.04 0.00 0.04 0.00 0.00 32.58 32.72 3if9 s HIS 4 CO 0.81 -0.09 -0.12 0.71 -2.34 0.00 0.00 174.74 173.71 3if9 s TYR 5 N -0.06 1.23 0.18 3.88 1.51 -0.67 -4.96 117.35 118.46 3if9 s TYR 5 Ca -0.01 -0.60 -0.05 0.00 -1.01 0.00 0.00 57.07 55.41 3if9 s TYR 5 Cb -0.02 -0.66 0.08 0.00 -0.11 0.00 0.00 41.96 41.26 3if9 s TYR 5 CO 0.00 0.07 1.49 0.93 -1.11 0.00 0.00 175.55 176.93 3if9 h GLU 6 N 3.59 0.62 -3.59 -0.62 5.08 -1.64 -2.70 114.58 115.31 3if9 h GLU 6 Ca -0.39 -0.39 -0.25 0.00 -1.00 0.00 0.00 59.36 57.33 3if9 h GLU 6 Cb 1.19 0.04 -0.30 0.00 0.50 0.00 0.00 28.75 30.18 3if9 h GLU 6 CO 0.51 1.00 -0.70 0.00 -1.00 0.00 0.00 179.01 178.82 3if9 s ALA 7 N -4.03 -0.02 -0.13 3.43 0.00 -1.15 -0.72 121.76 119.15 3if9 s ALA 7 Ca -0.08 0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.10 3if9 s ALA 7 Cb 0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 23.12 23.08 3if9 s ALA 7 CO 0.85 -0.06 -0.18 0.08 0.00 0.00 0.00 175.76 176.45 3if9 s VAL 8 N 0.48 2.51 -0.20 0.00 1.01 0.52 -1.37 120.40 123.35 3if9 s VAL 8 Ca -0.04 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 3if9 s VAL 8 Cb -0.06 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 3if9 s VAL 8 CO -0.02 0.54 0.03 -0.69 0.00 0.00 0.00 175.10 174.96 3if9 s VAL 9 N 0.50 4.23 -0.47 2.92 1.01 0.12 0.02 120.40 128.72 3if9 s VAL 9 Ca -0.12 -0.22 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 3if9 s VAL 9 Cb -0.16 -2.92 0.09 0.00 0.00 0.00 0.00 36.38 33.39 3if9 s VAL 9 CO 0.05 0.42 0.37 -0.63 0.00 0.00 0.00 175.10 175.31 3if9 s ILE 10 N 0.96 4.80 0.00 2.22 1.01 0.13 -0.98 121.20 129.34 3if9 s ILE 10 Ca 0.02 -1.36 0.00 0.00 0.00 0.00 0.00 60.65 59.32 3if9 s ILE 10 Cb -0.14 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.35 3if9 s ILE 10 CO 0.02 -0.65 0.00 0.61 0.00 0.00 0.00 174.94 174.92 3if9 n GLY 11 N 5.09 3.93 2.24 6.18 0.00 0.61 0.28 105.19 123.52 3if9 n GLY 11 Ca -0.11 -1.32 -0.26 0.00 0.00 0.00 0.00 46.02 44.32 3if9 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3if9 n GLY 12 N -0.00 6.21 0.00 -0.02 0.00 -1.26 -4.05 105.19 106.06 3if9 n GLY 12 Ca 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 46.02 43.34 3if9 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3if9 n GLY 13 N -0.63 -1.25 0.37 -0.02 0.00 -1.26 -0.23 105.19 102.17 3if9 n GLY 13 Ca 0.43 -1.63 0.02 0.00 0.00 0.00 0.00 46.02 44.85 3if9 n GLY 13 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3if9 h ILE 14 N -0.87 1.12 0.38 -0.61 2.10 -1.94 -2.32 117.51 115.37 3if9 h ILE 14 Ca 0.00 -0.41 -0.02 0.00 1.08 0.00 0.00 64.86 65.52 3if9 h ILE 14 Cb 0.00 -0.17 0.00 0.00 -1.09 0.00 0.00 36.82 35.57 3if9 h ILE 14 CO 0.00 0.22 -0.18 0.40 -1.08 0.00 0.00 178.15 177.50 3if9 h ILE 15 N 1.18 0.62 -0.86 2.19 1.08 -1.92 -1.26 117.51 118.54 3if9 h ILE 15 Ca 0.41 -0.31 0.01 0.00 -0.39 0.00 0.00 64.86 64.58 3if9 h ILE 15 Cb 0.11 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 34.60 3if9 h ILE 15 CO -0.15 0.06 0.57 1.23 -0.69 0.00 0.00 178.15 179.17 3if9 h GLY 16 N -0.69 1.22 0.93 5.37 0.00 -1.68 -1.10 103.07 107.12 3if9 h GLY 16 Ca -0.05 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 3if9 h GLY 16 CO 0.09 0.44 0.14 1.76 0.00 0.00 0.00 176.54 178.96 3if9 h SER 17 N 1.16 0.48 0.33 0.19 0.02 -1.32 -1.85 113.55 112.57 3if9 h SER 17 Ca 0.32 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3if9 h SER 17 Cb -0.12 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 3if9 h SER 17 CO -0.07 0.52 -0.23 0.00 -1.14 0.00 0.00 176.83 175.91 3if9 h ALA 18 N 0.98 -0.54 -0.70 3.77 0.00 -0.69 -2.08 119.26 120.00 3if9 h ALA 18 Ca 0.12 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.08 3if9 h ALA 18 Cb 0.19 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 18.17 3if9 h ALA 18 CO -0.01 -0.82 0.14 0.82 0.00 0.00 0.00 179.25 179.39 3if9 h ILE 19 N -0.55 0.52 -0.72 0.00 2.04 -1.10 -0.96 117.51 116.73 3if9 h ILE 19 Ca -0.03 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.68 3if9 h ILE 19 Cb 0.47 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3if9 h ILE 19 CO 0.02 0.04 0.20 0.00 0.00 0.00 0.00 178.15 178.41 3if9 h ALA 20 N 1.59 0.95 0.02 1.87 0.00 -1.08 0.11 119.26 122.72 3if9 h ALA 20 Ca 0.39 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3if9 h ALA 20 Cb 0.65 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3if9 h ALA 20 CO -0.50 0.65 -0.01 -0.92 0.00 0.00 0.00 179.25 178.47 3if9 h TYR 21 N 1.08 -0.03 -0.70 0.00 3.20 -0.59 0.48 116.97 120.41 3if9 h TYR 21 Ca 0.23 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 3if9 h TYR 21 Cb 0.34 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 3if9 h TYR 21 CO 0.03 0.12 0.37 1.88 -1.64 0.00 0.00 178.16 178.92 3if9 h TYR 22 N -0.18 0.97 -0.18 -3.82 -1.99 -0.70 0.13 116.97 111.19 3if9 h TYR 22 Ca -0.00 -0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.72 3if9 h TYR 22 Cb 0.16 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 38.57 3if9 h TYR 22 CO -0.03 0.69 0.04 -0.07 -0.00 0.00 0.00 178.16 178.79 3if9 h LEU 23 N 0.96 0.02 -0.70 3.88 3.38 -0.96 -2.30 115.31 119.59 3if9 h LEU 23 Ca 0.24 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 3if9 h LEU 23 Cb 0.05 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3if9 h LEU 23 CO -0.04 0.04 0.28 0.00 0.09 0.00 0.00 178.44 178.81 3if9 h ALA 24 N 1.13 0.91 -0.61 1.53 0.00 -0.37 -1.88 119.26 119.98 3if9 h ALA 24 Ca 0.08 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.95 3if9 h ALA 24 Cb 0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3if9 h ALA 24 CO -0.10 0.53 0.42 -0.22 0.00 0.00 0.00 179.25 179.88 3if9 h LYS 25 N 1.00 0.20 -0.12 0.00 3.64 -0.59 0.77 116.57 121.47 3if9 h LYS 25 Ca 0.23 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3if9 h LYS 25 Cb 0.21 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3if9 h LYS 25 CO -0.02 0.13 0.00 0.39 -2.27 0.00 0.00 179.45 177.69 3if9 n GLU 26 N -4.43 1.35 -1.34 1.90 -0.58 -0.74 -4.92 120.64 111.87 3if9 n GLU 26 Ca 0.11 -0.54 -0.12 0.00 -0.42 0.00 0.00 57.16 56.19 3if9 n GLU 26 Cb 0.53 -1.21 -0.05 0.00 -0.57 0.00 0.00 31.44 30.14 3if9 n GLU 26 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3if9 n ASN 27 N -0.14 -4.72 -4.68 1.62 3.02 0.26 -4.99 115.26 105.64 3if9 n ASN 27 Ca 0.09 0.29 -0.43 0.00 -0.03 0.00 0.00 54.58 54.51 3if9 n ASN 27 Cb 0.15 -3.26 -0.02 0.00 -0.61 0.00 0.00 39.78 36.04 3if9 n ASN 27 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3if9 s LYS 28 N -2.90 4.34 -0.49 3.52 -0.14 -0.97 -4.97 119.74 118.12 3if9 s LYS 28 Ca 0.00 1.58 -0.27 0.00 -1.36 0.00 0.00 55.97 55.92 3if9 s LYS 28 Cb 0.00 -3.60 -0.04 0.00 -1.68 0.00 0.00 37.83 32.51 3if9 s LYS 28 CO 0.00 -0.48 2.10 -0.80 -0.76 0.00 0.00 175.35 175.40 3if9 s ASN 29 N 1.45 5.04 -0.05 2.83 0.01 -1.26 -4.26 114.94 118.70 3if9 s ASN 29 Ca 0.53 0.89 0.06 0.00 -0.71 0.00 0.00 52.86 53.62 3if9 s ASN 29 Cb -0.22 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 38.91 3if9 s ASN 29 CO 0.18 -2.45 -0.23 -0.89 -1.51 0.00 0.00 177.10 172.20 3if9 s THR 30 N 9.95 2.28 0.09 1.60 2.01 -1.26 -1.69 115.64 128.63 3if9 s THR 30 Ca 0.83 -0.99 0.10 0.00 0.31 0.00 0.00 61.69 61.94 3if9 s THR 30 Cb -0.17 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 3if9 s THR 30 CO 0.26 0.57 -0.25 0.00 -0.69 0.00 0.00 174.62 174.51 3if9 s ALA 31 N -0.31 2.39 -0.05 7.40 0.00 -0.47 -0.26 121.76 130.46 3if9 s ALA 31 Ca 0.01 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 50.63 3if9 s ALA 31 Cb -0.13 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.53 3if9 s ALA 31 CO 0.02 0.55 -0.13 -1.17 0.00 0.00 0.00 175.76 175.03 3if9 s LEU 32 N -1.76 1.76 -0.11 0.00 0.20 -0.15 0.11 118.68 118.73 3if9 s LEU 32 Ca 0.14 -0.29 0.03 0.00 0.69 0.00 0.00 54.13 54.69 3if9 s LEU 32 Cb -0.10 -0.81 -0.01 0.00 -0.43 0.00 0.00 46.19 44.84 3if9 s LEU 32 CO 0.05 0.08 -0.20 -0.36 -0.29 0.00 0.00 176.35 175.62 3if9 s PHE 33 N 0.37 2.64 -0.07 5.38 0.40 -0.15 -0.18 117.98 126.36 3if9 s PHE 33 Ca -0.09 -0.89 0.01 0.00 -0.60 0.00 0.00 56.93 55.37 3if9 s PHE 33 Cb -0.13 -1.74 0.02 0.00 0.51 0.00 0.00 43.02 41.68 3if9 s PHE 33 CO 0.03 -0.33 -0.08 -2.00 0.70 0.00 0.00 175.22 173.54 3if9 s GLU 34 N 0.29 1.29 0.20 0.44 2.56 -0.34 -0.29 118.70 122.86 3if9 s GLU 34 Ca -0.15 -0.23 -0.12 0.00 0.00 0.00 0.00 54.97 54.47 3if9 s GLU 34 Cb -0.17 -1.23 0.25 0.00 2.00 0.00 0.00 34.13 34.98 3if9 s GLU 34 CO 0.07 -0.10 1.69 0.77 -0.56 0.00 0.00 175.26 177.13 3if9 h SER 35 N 7.44 -0.13 0.00 -1.70 0.02 -1.86 -0.32 113.55 117.00 3if9 h SER 35 Ca -0.32 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3if9 h SER 35 Cb 1.16 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.89 3if9 h SER 35 CO 0.44 -0.05 0.00 0.61 -1.14 0.00 0.00 176.83 176.69 3if9 n GLY 36 N -1.32 1.17 3.61 -3.77 0.00 -1.26 -3.30 105.19 100.31 3if9 n GLY 36 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3if9 n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3if9 s THR 37 N 3.01 3.58 0.10 2.61 -4.23 -1.26 -1.24 115.64 118.22 3if9 s THR 37 Ca 0.00 -1.19 -0.35 0.00 -1.18 0.00 0.00 61.69 58.97 3if9 s THR 37 Cb 0.00 -2.69 -0.15 0.00 1.34 0.00 0.00 72.50 71.01 3if9 s THR 37 CO 0.00 0.11 1.51 0.23 -0.54 0.00 0.00 174.62 175.93 3if9 n MET 38 N 0.65 1.74 -1.10 3.99 0.00 -1.26 -1.35 117.12 119.79 3if9 n MET 38 Ca -0.13 0.63 -0.03 0.00 0.00 0.00 0.00 57.70 58.17 3if9 n MET 38 Cb 0.52 -2.35 -0.01 0.00 0.00 0.00 0.00 33.22 31.37 3if9 n MET 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3if9 n GLY 39 N 3.16 0.48 0.00 3.03 0.00 0.68 -4.89 105.19 107.65 3if9 n GLY 39 Ca 0.18 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.22 3if9 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3if9 n GLY 40 N -0.54 -0.71 0.00 -0.02 0.00 -0.46 -2.57 105.19 100.90 3if9 n GLY 40 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3if9 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3if9 n ARG 41 N -1.02 0.00 -0.31 1.61 5.12 -1.26 -4.82 116.66 115.98 3if9 n ARG 41 Ca 0.16 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 56.18 3if9 n ARG 41 Cb 0.08 0.00 0.27 0.00 -1.16 0.00 0.00 32.46 31.65 3if9 n ARG 41 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 3if9 h THR 42 N 0.00 0.68 -0.94 0.55 2.02 -1.85 0.15 112.91 113.51 3if9 h THR 42 Ca 0.00 -0.21 0.23 0.00 0.77 0.00 0.00 66.41 67.20 3if9 h THR 42 Cb 0.00 -0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.28 3if9 h THR 42 CO 0.00 0.11 0.48 0.74 0.37 0.00 0.00 175.52 177.23 3if9 h THR 43 N 0.62 0.50 0.00 3.16 2.02 -1.94 0.16 112.91 117.44 3if9 h THR 43 Ca 0.51 -0.16 -0.05 0.00 0.77 0.00 0.00 66.41 67.48 3if9 h THR 43 Cb 0.80 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3if9 h THR 43 CO -0.40 0.09 -0.23 0.28 0.37 0.00 0.00 175.52 175.63 3if9 h SER 44 N 0.48 0.00 0.29 4.18 0.02 -0.41 -3.03 113.55 115.08 3if9 h SER 44 Ca 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.55 3if9 h SER 44 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3if9 h SER 44 CO -0.51 0.23 -0.24 0.00 -1.14 0.00 0.00 176.83 175.18 3if9 n ALA 45 N -2.38 3.03 -1.89 3.77 0.00 0.55 -4.88 120.51 118.72 3if9 n ALA 45 Ca -0.02 -0.37 -0.36 0.00 0.00 0.00 0.00 53.44 52.70 3if9 n ALA 45 Cb 0.32 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.52 3if9 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3if9 s ALA 46 N -2.54 3.26 0.19 0.00 0.00 -1.12 -4.84 121.76 116.71 3if9 s ALA 46 Ca 0.24 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.58 3if9 s ALA 46 Cb 0.19 -3.06 0.10 0.00 0.00 0.00 0.00 23.12 20.35 3if9 s ALA 46 CO 0.52 0.22 1.48 0.00 0.00 0.00 0.00 175.76 177.98 3if9 h ALA 47 N 3.10 0.67 0.00 0.00 0.00 -1.92 -3.42 119.26 117.68 3if9 h ALA 47 Ca -0.47 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 53.89 3if9 h ALA 47 Cb 1.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3if9 h ALA 47 CO 0.65 0.71 0.00 0.41 0.00 0.00 0.00 179.25 181.02 3if9 n GLY 48 N 0.37 0.75 3.77 0.00 0.00 -1.26 -4.70 105.19 104.11 3if9 n GLY 48 Ca -0.04 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 3if9 n GLY 48 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3if9 s MET 49 N -0.79 4.32 -1.03 1.61 -1.94 -1.26 -0.35 119.30 119.86 3if9 s MET 49 Ca 0.00 2.26 -0.02 0.00 -1.71 0.00 0.00 55.69 56.22 3if9 s MET 49 Cb 0.00 -3.06 0.32 0.00 2.01 0.00 0.00 34.83 34.10 3if9 s MET 49 CO 0.00 -0.24 1.70 1.28 -0.01 0.00 0.00 175.02 177.75 3if9 n LEU 50 N 0.84 6.99 -4.37 -0.03 4.77 0.28 -4.44 117.00 121.04 3if9 n LEU 50 Ca 0.00 -5.35 -0.45 0.00 -0.03 0.00 0.00 56.01 50.19 3if9 n LEU 50 Cb 0.41 -1.18 -0.07 0.00 -2.33 0.00 0.00 43.42 40.26 3if9 n LEU 50 CO 0.60 1.95 0.12 -0.94 -1.33 0.00 0.00 177.39 177.79 3if9 s SER 51 N -1.54 6.17 -0.08 -1.43 1.04 -1.26 -4.19 113.70 112.40 3if9 s SER 51 Ca 0.37 -1.40 -0.07 0.00 0.48 0.00 0.00 55.95 55.32 3if9 s SER 51 Cb 0.15 -2.21 -0.28 0.00 0.10 0.00 0.00 66.02 63.78 3if9 s SER 51 CO -0.06 -0.76 0.54 0.00 0.98 0.00 0.00 173.24 173.94 3if9 h ALA 52 N 8.84 0.32 -0.47 5.32 0.00 -1.93 -3.42 119.26 127.93 3if9 h ALA 52 Ca -0.29 -1.28 -0.46 0.00 0.00 0.00 0.00 54.91 52.88 3if9 h ALA 52 Cb 1.10 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 19.43 3if9 h ALA 52 CO 0.94 1.20 1.56 0.72 0.00 0.00 0.00 179.25 183.67 3if9 n HIS 53 N -3.51 3.08 -3.37 0.00 8.25 -1.26 -4.70 115.22 113.71 3if9 n HIS 53 Ca -0.27 -1.87 -0.26 0.00 -0.26 0.00 0.00 57.72 55.06 3if9 n HIS 53 Cb 1.06 -2.51 -0.08 0.00 1.12 0.00 0.00 29.99 29.58 3if9 n HIS 53 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3if9 n ARG 54 N 8.06 1.61 -3.00 -0.41 1.74 -1.26 -5.14 116.66 118.26 3if9 n ARG 54 Ca 0.47 -4.00 -0.40 0.00 -0.77 0.00 0.00 57.85 53.14 3if9 n ARG 54 Cb 0.45 -1.82 -0.05 0.00 -1.02 0.00 0.00 32.46 30.02 3if9 n ARG 54 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3if9 s GLU 55 N -1.71 4.34 0.24 5.56 2.02 -1.26 -4.98 118.70 122.91 3if9 s GLU 55 Ca 0.36 0.88 0.00 0.00 0.02 0.00 0.00 54.97 56.23 3if9 s GLU 55 Cb 0.13 -3.52 0.00 0.00 0.10 0.00 0.00 34.13 30.84 3if9 s GLU 55 CO -0.08 -0.14 0.00 0.39 0.02 0.00 0.00 175.26 175.45 3if9 n GLU 57 N 4.56 0.00 -2.13 1.61 1.02 -1.26 -5.11 120.64 119.34 3if9 n GLU 57 Ca 0.01 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.74 3if9 n GLU 57 Cb 0.50 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.90 3if9 n GLU 57 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3if9 s GLU 58 N -2.00 4.36 -1.03 3.49 2.12 -1.26 -4.95 118.70 119.43 3if9 s GLU 58 Ca 0.00 2.20 -0.19 0.00 0.36 0.00 0.00 54.97 57.34 3if9 s GLU 58 Cb 0.00 -3.09 0.11 0.00 0.26 0.00 0.00 34.13 31.41 3if9 s GLU 58 CO 0.00 -0.20 1.33 1.03 -0.54 0.00 0.00 175.26 176.87 3if9 s ARG 59 N -1.49 3.71 0.00 4.30 0.52 -1.26 -4.82 118.95 119.91 3if9 s ARG 59 Ca 0.50 -1.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.00 3if9 s ARG 59 Cb -0.39 -5.13 0.00 0.00 0.52 0.00 0.00 34.95 29.95 3if9 s ARG 59 CO 0.50 -1.95 0.00 -0.40 0.02 0.00 0.00 175.30 173.48 3if9 n ASP 60 N 7.28 0.48 -0.23 0.23 5.68 -1.26 -4.94 116.55 123.80 3if9 n ASP 60 Ca 0.31 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.54 3if9 n ASP 60 Cb 0.48 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.51 3if9 n ASP 60 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3if9 h ALA 61 N -0.06 0.81 -0.57 2.12 0.00 -1.94 -2.74 119.26 116.88 3if9 h ALA 61 Ca 0.00 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.91 3if9 h ALA 61 Cb 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.47 3if9 h ALA 61 CO 0.00 0.29 0.23 0.35 0.00 0.00 0.00 179.25 180.13 3if9 h PHE 62 N 0.86 0.41 -0.27 0.00 3.57 -1.95 -1.49 116.94 118.08 3if9 h PHE 62 Ca 0.23 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.76 3if9 h PHE 62 Cb -0.01 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 3if9 h PHE 62 CO -0.02 0.14 0.17 0.35 -2.23 0.00 0.00 178.31 176.72 3if9 h PHE 63 N 0.43 0.33 -0.22 0.41 3.57 -1.83 -1.59 116.94 118.04 3if9 h PHE 63 Ca 0.28 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.80 3if9 h PHE 63 Cb 0.29 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3if9 h PHE 63 CO -0.15 0.20 0.09 -0.44 -2.23 0.00 0.00 178.31 175.78 3if9 h ASP 64 N 0.35 0.11 -0.71 0.41 3.32 -1.14 -0.52 116.42 118.24 3if9 h ASP 64 Ca 0.10 0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.24 3if9 h ASP 64 Cb -0.03 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.46 3if9 h ASP 64 CO -0.03 0.10 0.39 0.15 -1.72 0.00 0.00 179.24 178.12 3if9 h PHE 65 N 0.20 0.71 -0.56 4.55 3.57 -1.18 0.41 116.94 124.65 3if9 h PHE 65 Ca 0.09 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 3if9 h PHE 65 Cb 0.05 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 3if9 h PHE 65 CO -0.11 0.32 0.12 0.00 -2.23 0.00 0.00 178.31 176.41 3if9 h ALA 66 N 1.38 0.74 -0.55 2.41 0.00 -0.82 0.12 119.26 122.53 3if9 h ALA 66 Ca 0.32 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3if9 h ALA 66 Cb 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3if9 h ALA 66 CO -0.21 0.46 0.01 0.52 0.00 0.00 0.00 179.25 180.03 3if9 h MET 67 N 0.80 0.94 -0.35 0.00 2.86 -0.48 0.16 114.93 118.86 3if9 h MET 67 Ca 0.17 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 3if9 h MET 67 Cb 0.37 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3if9 h MET 67 CO 0.01 0.92 0.12 1.25 1.06 0.00 0.00 176.91 180.27 3if9 h HIS 68 N 0.87 0.55 -0.85 -0.22 6.17 0.30 -1.31 115.15 120.66 3if9 h HIS 68 Ca 0.16 -0.05 -0.03 0.00 0.71 0.00 0.00 60.37 61.16 3if9 h HIS 68 Cb 0.49 -0.16 -0.04 0.00 2.52 0.00 0.00 27.41 30.22 3if9 h HIS 68 CO 0.03 0.53 0.40 1.03 0.71 0.00 0.00 177.93 180.63 3if9 h SER 69 N 0.42 1.12 -0.67 3.26 0.87 -0.60 -1.82 113.55 116.13 3if9 h SER 69 Ca 0.11 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 3if9 h SER 69 Cb 0.23 -0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 3if9 h SER 69 CO -0.01 0.95 0.39 -0.61 -0.53 0.00 0.00 176.83 177.02 3if9 h GLN 70 N 1.21 0.93 -0.73 2.24 4.15 -0.71 -1.47 115.11 120.73 3if9 h GLN 70 Ca 0.29 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 59.56 3if9 h GLN 70 Cb 0.13 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 3if9 h GLN 70 CO -0.03 0.67 0.21 0.00 -1.93 0.00 0.00 178.83 177.75 3if9 h ARG 71 N 0.95 1.14 0.00 1.69 3.08 -0.77 -3.07 114.38 117.40 3if9 h ARG 71 Ca 0.24 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3if9 h ARG 71 Cb -0.00 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 3if9 h ARG 71 CO -0.04 0.98 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.66 3if9 h LEU 72 N 1.09 0.00 0.00 3.04 3.38 -0.44 -0.44 115.31 121.94 3if9 h LEU 72 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3if9 h LEU 72 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3if9 h LEU 72 CO -0.00 0.11 0.00 -1.22 0.09 0.00 0.00 178.44 177.41 3if9 n TYR 73 N -4.15 0.00 0.21 1.13 4.02 -0.98 -4.01 117.16 113.37 3if9 n TYR 73 Ca -0.03 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.72 3if9 n TYR 73 Cb 0.19 -0.24 -0.08 0.00 -0.02 0.00 0.00 39.34 39.19 3if9 n TYR 73 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 3if9 h LYS 74 N 0.00 -0.46 -0.38 -0.72 1.63 -1.22 -3.16 116.57 112.26 3if9 h LYS 74 Ca 0.00 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 3if9 h LYS 74 Cb 0.07 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 3if9 h LYS 74 CO 0.00 -0.25 0.00 0.41 -3.45 0.00 0.00 179.45 176.16 3if9 n GLY 75 N -1.01 1.75 0.13 5.01 0.00 -1.26 -4.71 105.19 105.10 3if9 n GLY 75 Ca -0.10 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 3if9 n GLY 75 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3if9 h LEU 76 N 3.91 -0.27 -0.54 0.99 6.46 -1.68 0.47 115.31 124.66 3if9 h LEU 76 Ca 0.00 0.05 0.11 0.00 -0.12 0.00 0.00 57.88 57.92 3if9 h LEU 76 Cb 0.90 0.13 -0.09 0.00 -0.73 0.00 0.00 40.66 40.87 3if9 h LEU 76 CO 0.00 -0.12 0.01 1.23 -0.62 0.00 0.00 178.44 178.94 3if9 h GLY 77 N -0.12 0.57 1.08 3.75 0.00 -1.84 0.38 103.07 106.88 3if9 h GLY 77 Ca 0.06 0.06 -0.13 0.00 0.00 0.00 0.00 47.33 47.32 3if9 h GLY 77 CO -0.14 -0.15 -0.26 -2.09 0.00 0.00 0.00 176.54 173.90 3if9 h GLU 78 N 0.13 0.91 -0.04 4.80 4.81 -1.77 -0.98 114.58 122.44 3if9 h GLU 78 Ca 0.27 -0.42 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3if9 h GLU 78 Cb 0.42 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3if9 h GLU 78 CO -0.45 1.08 -0.03 1.49 -0.73 0.00 0.00 179.01 180.38 3if9 h GLU 79 N 0.74 -0.03 -0.04 1.92 4.81 0.21 -2.20 114.58 119.99 3if9 h GLU 79 Ca 0.09 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.12 3if9 h GLU 79 Cb 0.84 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.22 3if9 h GLU 79 CO 0.07 -0.02 -0.80 -0.07 -0.73 0.00 0.00 179.01 177.46 3if9 h LEU 80 N -0.03 0.46 -0.84 1.64 3.38 -0.32 -3.17 115.31 116.44 3if9 h LEU 80 Ca 0.03 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.69 3if9 h LEU 80 Cb 0.07 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 3if9 h LEU 80 CO -0.06 1.09 0.54 0.22 0.09 0.00 0.00 178.44 180.32 3if9 h TYR 81 N 0.24 1.03 -0.81 1.13 3.20 -1.03 0.44 116.97 121.16 3if9 h TYR 81 Ca -0.04 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.95 3if9 h TYR 81 Cb 1.40 -0.34 -0.07 0.00 1.54 0.00 0.00 36.73 39.25 3if9 h TYR 81 CO 0.05 0.61 0.45 0.00 -1.64 0.00 0.00 178.16 177.63 3if9 h ALA 82 N 1.33 1.15 0.00 1.82 0.00 -1.37 -0.75 119.26 121.44 3if9 h ALA 82 Ca 0.32 0.04 -0.27 0.00 0.00 0.00 0.00 54.91 55.00 3if9 h ALA 82 Cb -0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3if9 h ALA 82 CO -0.09 0.06 -1.51 -0.07 0.00 0.00 0.00 179.25 177.63 3if9 h LEU 83 N 0.74 0.01 0.00 0.00 3.38 -1.45 -3.42 115.31 114.58 3if9 h LEU 83 Ca 0.39 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.30 3if9 h LEU 83 Cb 0.39 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3if9 h LEU 83 CO -0.26 1.01 -1.50 -1.54 0.09 0.00 0.00 178.44 176.24 3if9 n SER 84 N -3.14 2.77 -0.05 -0.43 3.41 0.09 -4.67 113.62 111.61 3if9 n SER 84 Ca -0.12 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.48 3if9 n SER 84 Cb 1.02 1.21 -0.00 0.00 -0.26 0.00 0.00 64.21 66.18 3if9 n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3if9 n GLY 85 N 2.11 0.39 3.43 5.00 0.00 -0.30 -4.92 105.19 110.90 3if9 n GLY 85 Ca -0.06 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 3if9 n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3if9 s VAL 86 N -1.74 3.71 -0.08 1.61 1.01 -1.26 -5.05 120.40 118.61 3if9 s VAL 86 Ca 0.00 -0.40 -0.22 0.00 0.00 0.00 0.00 61.98 61.36 3if9 s VAL 86 Cb 0.00 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 3if9 s VAL 86 CO 0.00 0.46 0.62 -0.62 0.00 0.00 0.00 175.10 175.56 3if9 s ASP 87 N 0.83 6.90 0.00 3.32 -1.08 -1.26 -4.00 116.67 121.37 3if9 s ASP 87 Ca -0.01 1.07 0.30 0.00 -0.52 0.00 0.00 52.55 53.40 3if9 s ASP 87 Cb -0.15 -2.37 1.46 0.00 -1.46 0.00 0.00 42.92 40.41 3if9 s ASP 87 CO 0.02 -0.06 1.98 2.30 0.52 0.00 0.00 175.17 179.93 3if9 n ILE 88 N 3.65 0.00 -3.39 4.11 -5.35 -1.26 -4.75 119.36 112.37 3if9 n ILE 88 Ca -0.03 -0.10 -0.20 0.00 -0.27 0.00 0.00 62.75 62.14 3if9 n ILE 88 Cb 0.51 -0.06 0.06 0.00 -1.74 0.00 0.00 39.64 38.42 3if9 n ILE 88 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3if9 n ARG 89 N -0.57 -2.08 -2.64 6.28 1.74 -1.26 -1.49 116.66 116.65 3if9 n ARG 89 Ca 0.20 0.74 -0.40 0.00 -0.77 0.00 0.00 57.85 57.63 3if9 n ARG 89 Cb 0.23 -5.31 -0.05 0.00 -1.02 0.00 0.00 32.46 26.31 3if9 n ARG 89 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3if9 s GLN 90 N -4.92 4.72 -0.15 5.56 0.74 -1.26 -3.64 119.66 120.71 3if9 s GLN 90 Ca 0.45 1.60 -0.02 0.00 0.05 0.00 0.00 55.36 57.44 3if9 s GLN 90 Cb -0.09 -3.17 0.05 0.00 1.10 0.00 0.00 33.01 30.89 3if9 s GLN 90 CO 0.78 0.35 0.00 -1.58 -0.55 0.00 0.00 175.29 174.29 3if9 s HIS 91 N -1.23 1.10 -2.05 1.67 5.65 -0.09 -5.01 115.29 115.33 3if9 s HIS 91 Ca 0.44 -0.71 0.15 0.00 0.25 0.00 0.00 55.06 55.19 3if9 s HIS 91 Cb -0.28 -1.04 0.43 0.00 -1.18 0.00 0.00 32.58 30.52 3if9 s HIS 91 CO 0.35 -0.53 1.35 0.09 -0.65 0.00 0.00 174.74 175.35 3if9 n ASN 92 N 5.03 2.27 -0.25 9.88 3.02 -1.26 -2.67 115.26 131.29 3if9 n ASN 92 Ca -0.09 -1.96 0.05 0.00 -0.03 0.00 0.00 54.58 52.55 3if9 n ASN 92 Cb 0.48 -0.27 0.18 0.00 -0.61 0.00 0.00 39.78 39.57 3if9 n ASN 92 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3if9 h GLY 93 N 5.03 1.02 0.00 7.41 0.00 -1.89 -3.48 103.07 111.16 3if9 h GLY 93 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3if9 h GLY 93 CO 0.00 -0.19 0.00 0.61 0.00 0.00 0.00 176.54 176.96 3if9 n GLY 94 N -1.35 -4.21 3.02 4.60 0.00 -1.26 -4.70 105.19 101.29 3if9 n GLY 94 Ca 0.14 -2.08 -0.20 0.00 0.00 0.00 0.00 46.02 43.87 3if9 n GLY 94 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3if9 s MET 95 N -0.97 0.94 -0.25 1.61 0.00 -1.15 -0.37 119.30 119.11 3if9 s MET 95 Ca 0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 55.69 55.28 3if9 s MET 95 Cb 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 34.83 33.92 3if9 s MET 95 CO 0.00 0.16 0.08 -0.06 0.00 0.00 0.00 175.02 175.20 3if9 s PHE 96 N 0.03 3.11 -0.61 4.11 2.99 -0.02 -1.07 117.98 126.51 3if9 s PHE 96 Ca -0.01 -0.34 -0.18 0.00 0.00 0.00 0.00 56.93 56.40 3if9 s PHE 96 Cb -0.07 -2.24 0.11 0.00 0.00 0.00 0.00 43.02 40.83 3if9 s PHE 96 CO 0.00 -0.30 0.70 0.15 -0.00 0.00 0.00 175.22 175.77 3if9 s LYS 97 N 1.53 3.07 0.80 0.44 1.02 0.22 -1.53 119.74 125.29 3if9 s LYS 97 Ca 0.06 -1.42 -0.12 0.00 0.02 0.00 0.00 55.97 54.52 3if9 s LYS 97 Cb -0.15 -4.30 0.08 0.00 -0.52 0.00 0.00 37.83 32.94 3if9 s LYS 97 CO 0.04 -1.52 1.13 -0.51 -0.92 0.00 0.00 175.35 173.57 3if9 s LEU 98 N 2.48 3.06 -0.06 3.17 1.43 -0.11 -1.33 118.68 127.31 3if9 s LEU 98 Ca 0.11 2.05 0.06 0.00 -1.03 0.00 0.00 54.13 55.33 3if9 s LEU 98 Cb -0.24 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.42 3if9 s LEU 98 CO 0.05 -2.39 -0.25 0.00 0.23 0.00 0.00 176.35 173.99 3if9 s ALA 99 N -2.61 2.16 -0.20 4.21 0.00 0.18 -4.82 121.76 120.68 3if9 s ALA 99 Ca 0.66 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 51.60 3if9 s ALA 99 Cb -0.21 -0.68 -0.00 0.00 0.00 0.00 0.00 23.12 22.23 3if9 s ALA 99 CO 0.53 0.41 0.33 1.19 0.00 0.00 0.00 175.76 178.23 3if9 n PHE 100 N 2.97 0.00 -4.09 0.00 3.01 -1.26 -0.15 117.46 117.95 3if9 n PHE 100 Ca -0.17 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.14 3if9 n PHE 100 Cb 0.52 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.95 3if9 n PHE 100 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3if9 s SER 101 N -0.71 0.84 0.08 4.37 1.04 -1.26 -4.81 113.70 113.25 3if9 s SER 101 Ca 0.02 -1.45 -0.14 0.00 0.48 0.00 0.00 55.95 54.86 3if9 s SER 101 Cb 0.02 0.65 -0.17 0.00 0.10 0.00 0.00 66.02 66.62 3if9 s SER 101 CO 0.06 -1.27 1.27 -0.08 0.98 0.00 0.00 173.24 174.20 3if9 h GLU 102 N 2.13 0.70 -0.66 4.02 4.57 -1.99 -2.24 114.58 121.12 3if9 h GLU 102 Ca -0.28 -0.59 0.14 0.00 -1.18 0.00 0.00 59.36 57.44 3if9 h GLU 102 Cb 1.24 0.13 -0.10 0.00 -0.16 0.00 0.00 28.75 29.86 3if9 h GLU 102 CO 0.39 1.21 0.08 0.93 -1.18 0.00 0.00 179.01 180.44 3if9 h GLU 103 N 0.39 0.18 -0.18 1.92 3.07 -1.99 0.65 114.58 118.63 3if9 h GLU 103 Ca -0.06 -0.01 0.05 0.00 -0.50 0.00 0.00 59.36 58.84 3if9 h GLU 103 Cb 1.36 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 29.18 3if9 h GLU 103 CO 0.15 0.12 -0.14 -0.44 -1.40 0.00 0.00 179.01 177.30 3if9 h ASP 104 N 0.19 -0.44 -0.23 1.42 5.19 -1.92 -2.01 116.42 118.61 3if9 h ASP 104 Ca 0.36 0.09 0.04 0.00 -0.62 0.00 0.00 57.03 56.90 3if9 h ASP 104 Cb 0.59 0.23 -0.03 0.00 0.18 0.00 0.00 39.33 40.29 3if9 h ASP 104 CO -0.51 -0.18 0.01 0.58 -3.12 0.00 0.00 179.24 176.02 3if9 h VAL 105 N -0.14 0.85 -0.22 -1.35 2.07 -0.51 -2.32 116.25 114.63 3if9 h VAL 105 Ca 0.11 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.63 3if9 h VAL 105 Cb 0.31 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3if9 h VAL 105 CO -0.27 0.01 0.07 -0.07 0.02 0.00 0.00 177.57 177.34 3if9 h LEU 106 N 0.08 0.07 -0.77 2.57 3.38 -0.73 -1.29 115.31 118.62 3if9 h LEU 106 Ca 0.11 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3if9 h LEU 106 Cb 0.13 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3if9 h LEU 106 CO -0.17 0.07 0.08 -0.61 0.09 0.00 0.00 178.44 177.90 3if9 h GLN 107 N 0.17 1.01 -0.03 1.13 4.15 -1.22 -2.84 115.11 117.48 3if9 h GLN 107 Ca 0.10 -0.27 -0.13 0.00 0.77 0.00 0.00 58.65 59.11 3if9 h GLN 107 Cb 0.07 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 3if9 h GLN 107 CO -0.10 0.95 -0.60 -0.07 -1.93 0.00 0.00 178.83 177.07 3if9 h LEU 108 N 0.95 0.13 0.00 -2.39 3.38 -1.15 -3.13 115.31 113.09 3if9 h LEU 108 Ca 0.19 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3if9 h LEU 108 Cb 0.44 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3if9 h LEU 108 CO 0.01 0.69 0.00 0.54 0.09 0.00 0.00 178.44 179.78 3if9 n ARG 109 N -3.85 0.17 0.11 1.13 1.74 -0.51 -2.61 116.66 112.83 3if9 n ARG 109 Ca -0.02 0.13 0.13 0.00 -0.77 0.00 0.00 57.85 57.33 3if9 n ARG 109 Cb 0.61 -1.50 0.42 0.00 -1.02 0.00 0.00 32.46 30.97 3if9 n ARG 109 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3if9 n GLN 110 N -1.36 0.25 0.00 5.56 6.02 -1.18 -2.51 117.38 124.15 3if9 n GLN 110 Ca 0.07 0.25 0.13 0.00 -0.01 0.00 0.00 57.00 57.44 3if9 n GLN 110 Cb 0.17 -1.81 0.44 0.00 1.02 0.00 0.00 30.24 30.06 3if9 n GLN 110 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 3if9 n MET 111 N -2.24 0.82 -0.25 -1.09 2.81 -1.07 -4.51 117.12 111.58 3if9 n MET 111 Ca 0.05 -0.44 0.04 0.00 -1.81 0.00 0.00 57.70 55.53 3if9 n MET 111 Cb 0.39 -1.49 0.17 0.00 -0.71 0.00 0.00 33.22 31.58 3if9 n MET 111 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3if9 h ASP 112 N 1.08 0.35 -0.86 7.83 3.32 -1.66 -1.57 116.42 124.90 3if9 h ASP 112 Ca 0.00 0.09 0.24 0.00 0.02 0.00 0.00 57.03 57.38 3if9 h ASP 112 Cb 0.47 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 3if9 h ASP 112 CO 0.00 0.16 0.61 -2.24 -1.72 0.00 0.00 179.24 176.06 3if9 h ASP 113 N 0.50 0.06 -3.84 6.45 2.03 -1.82 -3.43 116.42 116.38 3if9 h ASP 113 Ca 0.39 0.01 -0.55 0.00 -0.73 0.00 0.00 57.03 56.14 3if9 h ASP 113 Cb 0.53 -0.00 0.13 0.00 -0.83 0.00 0.00 39.33 39.15 3if9 h ASP 113 CO -0.35 0.02 0.63 0.18 -1.03 0.00 0.00 179.24 178.69 3if9 n LEU 114 N -4.32 4.79 0.12 0.15 4.77 -0.59 -4.94 117.00 116.99 3if9 n LEU 114 Ca 0.18 1.11 -0.01 0.00 -0.03 0.00 0.00 56.01 57.25 3if9 n LEU 114 Cb 0.89 -1.57 0.09 0.00 -2.33 0.00 0.00 43.42 40.50 3if9 n LEU 114 CO 0.37 -0.35 0.41 0.44 -1.33 0.00 0.00 177.39 176.93 3if9 h ASP 115 N 2.16 0.00 -0.03 -1.43 3.32 -1.88 -3.20 116.42 115.36 3if9 h ASP 115 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3if9 h ASP 115 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3if9 h ASP 115 CO 0.60 0.68 0.00 -1.54 -1.72 0.00 0.00 179.24 177.27 3if9 n SER 116 N -3.53 0.83 -4.23 6.45 3.41 -1.26 -4.87 113.62 110.41 3if9 n SER 116 Ca -0.00 -1.35 -0.25 0.00 -0.26 0.00 0.00 58.87 57.01 3if9 n SER 116 Cb 0.72 -0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 64.51 3if9 n SER 116 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3if9 s VAL 117 N -1.97 1.61 0.03 -3.33 1.01 -1.21 -3.04 120.40 113.50 3if9 s VAL 117 Ca 0.39 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 3if9 s VAL 117 Cb 0.20 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 3if9 s VAL 117 CO 0.32 0.24 -0.01 -0.44 0.00 0.00 0.00 175.10 175.22 3if9 s SER 118 N -1.03 0.30 0.00 3.32 0.01 -0.53 -4.82 113.70 110.96 3if9 s SER 118 Ca 0.07 -0.65 -0.18 0.00 1.31 0.00 0.00 55.95 56.50 3if9 s SER 118 Cb -0.08 0.15 -0.06 0.00 0.21 0.00 0.00 66.02 66.24 3if9 s SER 118 CO 0.01 -0.42 0.50 0.86 0.41 0.00 0.00 173.24 174.60 3if9 s TRP 119 N -2.38 3.71 0.02 2.43 -0.11 -1.26 -0.39 118.94 120.95 3if9 s TRP 119 Ca -0.07 1.10 0.06 0.00 1.22 0.00 0.00 56.10 58.41 3if9 s TRP 119 Cb -0.03 -2.45 -0.03 0.00 -1.50 0.00 0.00 33.47 29.45 3if9 s TRP 119 CO -0.04 0.50 -0.17 0.71 -4.62 0.00 0.00 176.95 173.33 3if9 s TYR 120 N -0.66 2.60 0.70 5.86 1.51 0.20 -4.91 117.35 122.65 3if9 s TYR 120 Ca 0.27 -0.23 -0.09 0.00 -1.01 0.00 0.00 57.07 56.01 3if9 s TYR 120 Cb -0.18 -1.51 0.04 0.00 -0.11 0.00 0.00 41.96 40.20 3if9 s TYR 120 CO 0.15 0.23 1.06 -1.54 -1.11 0.00 0.00 175.55 174.34 3if9 s SER 121 N -1.25 5.14 0.29 2.29 1.04 -1.26 -1.44 113.70 118.50 3if9 s SER 121 Ca 0.14 0.82 0.01 0.00 0.48 0.00 0.00 55.95 57.40 3if9 s SER 121 Cb -0.11 -1.57 0.69 0.00 0.10 0.00 0.00 66.02 65.14 3if9 s SER 121 CO 0.04 -1.46 1.62 0.50 0.98 0.00 0.00 173.24 174.92 3if9 h LYS 122 N -0.63 0.11 -0.05 4.02 3.64 -1.85 0.13 116.57 121.94 3if9 h LYS 122 Ca -0.45 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 58.73 3if9 h LYS 122 Cb 1.28 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3if9 h LYS 122 CO 0.63 0.07 -0.79 0.93 -2.27 0.00 0.00 179.45 178.02 3if9 h GLU 123 N 0.11 0.36 -0.16 1.90 3.07 -1.94 -1.76 114.58 116.17 3if9 h GLU 123 Ca 0.55 -0.32 -0.20 0.00 -0.50 0.00 0.00 59.36 58.89 3if9 h GLU 123 Cb 1.11 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 3if9 h GLU 123 CO -0.75 0.98 -0.69 0.93 -1.40 0.00 0.00 179.01 178.08 3if9 h GLU 124 N 0.23 0.66 -0.31 2.33 5.08 -1.56 -2.45 114.58 118.56 3if9 h GLU 124 Ca -0.04 -0.50 -0.02 0.00 -1.00 0.00 0.00 59.36 57.80 3if9 h GLU 124 Cb 1.38 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 3if9 h GLU 124 CO 0.13 1.12 0.11 0.28 -1.00 0.00 0.00 179.01 179.65 3if9 h VAL 125 N 0.47 1.19 0.00 3.13 2.07 -0.99 -3.12 116.25 119.00 3if9 h VAL 125 Ca -0.03 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3if9 h VAL 125 Cb 1.29 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 3if9 h VAL 125 CO 0.14 0.21 0.00 -0.07 0.02 0.00 0.00 177.57 177.86 3if9 h LEU 126 N 0.36 0.00 -0.26 2.57 3.38 -1.31 0.18 115.31 120.23 3if9 h LEU 126 Ca 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3if9 h LEU 126 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3if9 h LEU 126 CO -0.01 0.00 -0.07 -0.33 0.09 0.00 0.00 178.44 178.13 3if9 h GLU 127 N 0.00 0.50 0.06 1.13 5.08 -1.39 -2.98 114.58 116.98 3if9 h GLU 127 Ca 0.00 -0.19 -0.19 0.00 -1.00 0.00 0.00 59.36 57.97 3if9 h GLU 127 Cb 0.44 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.68 3if9 h GLU 127 CO 0.00 0.72 -0.80 0.87 -1.00 0.00 0.00 179.01 178.80 3if9 h LYS 128 N 0.25 0.44 -2.82 2.33 1.79 -1.25 -3.40 116.57 113.91 3if9 h LYS 128 Ca 0.07 -0.55 -0.61 0.00 -2.18 0.00 0.00 60.65 57.38 3if9 h LYS 128 Cb 0.54 0.17 -0.40 0.00 -1.58 0.00 0.00 32.23 30.96 3if9 h LYS 128 CO 0.03 1.20 -0.74 -1.21 -1.08 0.00 0.00 179.45 177.65 3if9 s GLU 129 N -2.98 1.75 0.07 3.15 0.41 0.54 -4.89 118.70 116.76 3if9 s GLU 129 Ca -0.12 -2.72 0.08 0.00 -0.41 0.00 0.00 54.97 51.79 3if9 s GLU 129 Cb 0.03 -2.57 0.37 0.00 -1.78 0.00 0.00 34.13 30.18 3if9 s GLU 129 CO 0.85 -1.30 1.24 -2.30 -0.49 0.00 0.00 175.26 173.26 3if9 n PRO 130 N 2.50 0.03 0.00 0.39 -0.02 -1.12 -1.74 135.00 135.04 3if9 n PRO 130 Ca 0.22 0.47 0.09 0.00 -2.02 0.00 0.00 63.50 62.26 3if9 n PRO 130 Cb 0.39 -1.60 -0.03 0.00 -0.02 0.00 0.00 33.50 32.25 3if9 n PRO 130 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3if9 n TYR 131 N -1.67 0.00 -1.62 6.00 4.02 -1.26 -4.95 117.16 117.68 3if9 n TYR 131 Ca 0.01 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.52 3if9 n TYR 131 Cb 0.05 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.42 3if9 n TYR 131 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3if9 n ALA 132 N -0.46 0.19 -1.62 -0.72 0.00 -0.71 -4.34 120.51 112.85 3if9 n ALA 132 Ca 0.06 0.02 -0.49 0.00 0.00 0.00 0.00 53.44 53.04 3if9 n ALA 132 Cb 0.35 -2.11 -0.05 0.00 0.00 0.00 0.00 19.45 17.65 3if9 n ALA 132 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3if9 n SER 133 N -0.65 2.19 0.00 0.00 2.88 -0.20 -4.85 113.62 112.98 3if9 n SER 133 Ca 0.13 1.12 0.06 0.00 -1.33 0.00 0.00 58.87 58.84 3if9 n SER 133 Cb 0.47 -1.30 0.31 0.00 -0.75 0.00 0.00 64.21 62.93 3if9 n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3if9 n GLY 134 N 2.65 -0.61 0.36 0.46 0.00 -1.26 -2.55 105.19 104.23 3if9 n GLY 134 Ca 0.16 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.27 3if9 n GLY 134 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3if9 n ASP 135 N -1.23 1.13 -4.79 1.61 8.00 -1.26 -4.95 116.55 115.06 3if9 n ASP 135 Ca 0.06 -1.35 -0.35 0.00 0.71 0.00 0.00 54.79 53.86 3if9 n ASP 135 Cb 0.08 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 3if9 n ASP 135 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3if9 s ILE 136 N -2.03 3.56 -0.78 0.53 -4.36 -1.06 -4.73 121.20 112.34 3if9 s ILE 136 Ca 0.40 1.04 0.16 0.00 -0.26 0.00 0.00 60.65 61.99 3if9 s ILE 136 Cb 0.21 -3.46 0.76 0.00 1.25 0.00 0.00 42.46 41.22 3if9 s ILE 136 CO 0.35 -0.14 1.67 0.49 0.24 0.00 0.00 174.94 177.55 3if9 n PHE 137 N -0.78 1.74 0.00 1.37 3.01 0.79 -4.72 117.46 118.86 3if9 n PHE 137 Ca 0.09 -0.65 0.00 0.00 1.01 0.00 0.00 57.45 57.90 3if9 n PHE 137 Cb 0.51 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 3if9 n PHE 137 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3if9 n GLY 138 N 0.93 -1.03 3.34 1.37 0.00 -1.26 -4.10 105.19 104.44 3if9 n GLY 138 Ca 0.26 -2.24 -0.14 0.00 0.00 0.00 0.00 46.02 43.90 3if9 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3if9 s ALA 139 N -1.26 -1.12 -0.27 4.61 0.00 -0.52 -0.65 121.76 122.55 3if9 s ALA 139 Ca 0.00 0.91 -0.29 0.00 0.00 0.00 0.00 51.96 52.58 3if9 s ALA 139 Cb 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.84 3if9 s ALA 139 CO 0.00 -0.26 1.31 0.45 0.00 0.00 0.00 175.76 177.25 3if9 s SER 140 N -0.67 6.71 -0.08 0.00 0.15 -0.44 -0.63 113.70 118.73 3if9 s SER 140 Ca -0.08 1.31 -0.19 0.00 0.70 0.00 0.00 55.95 57.70 3if9 s SER 140 Cb -0.03 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 3if9 s SER 140 CO 0.04 -1.03 0.51 0.12 1.20 0.00 0.00 173.24 174.08 3if9 s PHE 141 N 4.25 3.57 -0.38 3.44 5.36 0.48 -0.61 117.98 134.08 3if9 s PHE 141 Ca 0.57 0.98 0.01 0.00 -0.96 0.00 0.00 56.93 57.53 3if9 s PHE 141 Cb -0.18 -2.56 0.12 0.00 -0.34 0.00 0.00 43.02 40.06 3if9 s PHE 141 CO 0.22 0.23 0.17 0.42 -1.46 0.00 0.00 175.22 174.80 3if9 s ILE 142 N 0.35 1.33 0.51 3.12 1.01 -0.24 -1.45 121.20 125.83 3if9 s ILE 142 Ca 0.28 -2.13 0.16 0.00 0.00 0.00 0.00 60.65 58.96 3if9 s ILE 142 Cb -0.16 -1.96 0.28 0.00 0.01 0.00 0.00 42.46 40.63 3if9 s ILE 142 CO 0.12 -0.78 2.12 -0.61 0.00 0.00 0.00 174.94 175.79 3if9 h GLN 143 N 7.32 0.08 -0.05 2.79 5.75 -1.82 -2.90 115.11 126.28 3if9 h GLN 143 Ca -0.06 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 3if9 h GLN 143 Cb 0.97 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.50 3if9 h GLN 143 CO 0.49 0.05 0.00 -0.40 -2.65 0.00 0.00 178.83 176.32 3if9 n ASP 144 N -4.52 2.82 -3.91 -0.69 5.75 -1.26 -4.29 116.55 110.45 3if9 n ASP 144 Ca -0.01 -1.89 -0.42 0.00 -0.01 0.00 0.00 54.79 52.46 3if9 n ASP 144 Cb 0.14 -0.02 -0.00 0.00 -1.03 0.00 0.00 41.12 40.21 3if9 n ASP 144 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3if9 n ASP 145 N 1.21 4.04 -2.96 -1.12 9.92 -1.11 -4.95 116.55 121.58 3if9 n ASP 145 Ca 0.13 -2.85 -0.15 0.00 -0.53 0.00 0.00 54.79 51.39 3if9 n ASP 145 Cb 0.54 -1.66 0.11 0.00 -0.64 0.00 0.00 41.12 39.46 3if9 n ASP 145 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 3if9 n VAL 146 N 5.42 0.00 -4.07 2.53 0.24 -1.26 -4.26 118.33 116.93 3if9 n VAL 146 Ca 0.51 -0.46 -0.08 0.00 -2.04 0.00 0.00 64.34 62.27 3if9 n VAL 146 Cb 0.41 -1.69 -0.10 0.00 -1.47 0.00 0.00 33.84 30.98 3if9 n VAL 146 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 3if9 s HIS 147 N -2.41 0.48 0.30 6.34 -3.43 -1.09 0.99 115.29 116.47 3if9 s HIS 147 Ca 0.38 -0.91 0.03 0.00 -0.80 0.00 0.00 55.06 53.75 3if9 s HIS 147 Cb -0.01 -0.35 -0.05 0.00 -1.43 0.00 0.00 32.58 30.74 3if9 s HIS 147 CO 0.27 -0.31 0.10 0.14 -2.00 0.00 0.00 174.74 172.93 3if9 s VAL 148 N -3.22 0.73 -0.46 -5.38 -7.23 0.52 -0.91 120.40 104.45 3if9 s VAL 148 Ca 0.01 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.02 3if9 s VAL 148 Cb 0.03 -2.64 0.06 0.00 0.56 0.00 0.00 36.38 34.39 3if9 s VAL 148 CO -0.07 0.00 0.39 -1.61 -0.31 0.00 0.00 175.10 173.50 3if9 s GLU 149 N -3.93 2.99 0.24 4.82 2.02 -0.55 -4.26 118.70 120.03 3if9 s GLU 149 Ca 0.36 -1.22 -0.07 0.00 0.02 0.00 0.00 54.97 54.06 3if9 s GLU 149 Cb 0.07 -4.09 0.24 0.00 0.10 0.00 0.00 34.13 30.45 3if9 s GLU 149 CO 0.15 -0.97 1.92 -1.35 0.02 0.00 0.00 175.26 175.03 3if9 h PRO 150 N 8.74 1.25 -0.99 0.39 0.11 -1.84 0.77 132.00 140.43 3if9 h PRO 150 Ca -0.28 -0.08 0.09 0.00 0.11 0.00 0.00 66.00 65.85 3if9 h PRO 150 Cb 1.11 -0.28 -0.07 0.00 0.11 0.00 0.00 31.00 31.86 3if9 h PRO 150 CO 0.85 0.83 0.63 -0.92 -0.21 0.00 0.00 178.00 179.18 3if9 h TYR 151 N 1.29 1.14 0.00 0.65 3.20 -1.90 -1.54 116.97 119.81 3if9 h TYR 151 Ca 0.35 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.19 3if9 h TYR 151 Cb -0.15 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 37.74 3if9 h TYR 151 CO -0.00 0.52 -0.54 0.74 -1.64 0.00 0.00 178.16 177.24 3if9 h PHE 152 N 1.05 0.00 -0.49 -3.82 -1.00 -1.18 -0.39 116.94 111.11 3if9 h PHE 152 Ca 0.46 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 61.15 3if9 h PHE 152 Cb 0.34 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 3if9 h PHE 152 CO -0.00 0.27 -0.05 0.28 -1.61 0.00 0.00 178.31 177.20 3if9 h VAL 153 N 0.00 1.27 0.04 -0.55 2.07 -0.97 0.19 116.25 118.30 3if9 h VAL 153 Ca -0.02 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 3if9 h VAL 153 Cb 1.22 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3if9 h VAL 153 CO 0.03 0.40 -0.02 0.00 0.02 0.00 0.00 177.57 178.00 3if9 h LYS 155 N -0.25 0.45 -0.15 0.00 1.79 -1.02 -2.16 116.57 115.23 3if9 h LYS 155 Ca -0.01 -0.13 -0.00 0.00 -2.18 0.00 0.00 60.65 58.33 3if9 h LYS 155 Cb 0.23 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 3if9 h LYS 155 CO 0.01 0.58 0.08 0.00 -1.08 0.00 0.00 179.45 179.03 3if9 h ALA 156 N 1.45 0.19 -0.17 3.86 0.00 -0.43 -2.27 119.26 121.89 3if9 h ALA 156 Ca 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3if9 h ALA 156 Cb 0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3if9 h ALA 156 CO 0.03 -0.26 0.09 1.88 0.00 0.00 0.00 179.25 180.98 3if9 h TYR 157 N 0.12 0.24 -0.44 0.00 0.99 -1.07 -1.37 116.97 115.44 3if9 h TYR 157 Ca 0.05 -0.01 -0.13 0.00 2.00 0.00 0.00 58.73 60.64 3if9 h TYR 157 Cb 0.10 -0.08 -0.01 0.00 1.00 0.00 0.00 36.73 37.74 3if9 h TYR 157 CO -0.03 0.26 -0.26 -0.24 -0.00 0.00 0.00 178.16 177.89 3if9 h VAL 158 N 0.15 1.27 -0.31 -2.88 3.04 -1.39 0.61 116.25 116.75 3if9 h VAL 158 Ca 0.06 -1.42 -0.10 0.00 -1.01 0.00 0.00 66.70 64.23 3if9 h VAL 158 Cb 0.10 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.58 3if9 h VAL 158 CO -0.01 0.48 -0.22 0.50 -1.01 0.00 0.00 177.57 177.32 3if9 h LYS 159 N 0.79 0.58 0.10 4.17 1.63 -1.36 -1.13 116.57 121.35 3if9 h LYS 159 Ca 0.10 -0.21 -0.00 0.00 -0.85 0.00 0.00 60.65 59.68 3if9 h LYS 159 Cb 0.83 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 3if9 h LYS 159 CO 0.07 0.76 -0.05 0.00 -3.45 0.00 0.00 179.45 176.78 3if9 h ALA 160 N 1.25 -0.13 -0.64 5.00 0.00 -0.60 -1.85 119.26 122.28 3if9 h ALA 160 Ca 0.08 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.97 3if9 h ALA 160 Cb 0.66 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 3if9 h ALA 160 CO 0.05 -0.47 0.24 0.00 0.00 0.00 0.00 179.25 179.07 3if9 h ALA 161 N 0.54 0.84 -0.50 0.00 0.00 -0.75 -0.74 119.26 118.64 3if9 h ALA 161 Ca -0.01 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3if9 h ALA 161 Cb 0.29 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3if9 h ALA 161 CO 0.02 -0.19 0.21 -0.22 0.00 0.00 0.00 179.25 179.07 3if9 h LYS 162 N 0.42 0.40 0.00 0.00 3.64 -1.10 0.13 116.57 120.06 3if9 h LYS 162 Ca 0.33 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.66 3if9 h LYS 162 Cb 0.42 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3if9 h LYS 162 CO -0.32 0.26 -0.11 0.52 -2.27 0.00 0.00 179.45 177.53 3if9 h MET 163 N 0.41 0.00 -0.02 1.90 2.86 -0.45 -1.74 114.93 117.89 3if9 h MET 163 Ca 0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3if9 h MET 163 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3if9 h MET 163 CO -0.21 0.11 -0.02 1.28 1.06 0.00 0.00 176.91 179.13 3if9 n LEU 164 N -3.53 1.64 0.00 1.22 4.77 0.29 -4.95 117.00 116.44 3if9 n LEU 164 Ca -0.01 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 3if9 n LEU 164 Cb 0.25 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3if9 n LEU 164 CO 0.29 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 3if9 n GLY 165 N 1.21 1.90 3.75 -0.72 0.00 -0.30 -4.86 105.19 106.17 3if9 n GLY 165 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3if9 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3if9 n ALA 166 N -0.31 2.12 -2.87 4.61 0.00 -0.57 -4.71 120.51 118.79 3if9 n ALA 166 Ca 0.00 0.36 -0.35 0.00 0.00 0.00 0.00 53.44 53.45 3if9 n ALA 166 Cb 0.00 -2.39 -0.11 0.00 0.00 0.00 0.00 19.45 16.96 3if9 n ALA 166 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3if9 s GLU 167 N -1.63 3.88 -0.12 0.00 2.02 0.64 -4.16 118.70 119.32 3if9 s GLU 167 Ca 0.57 -0.39 -0.01 0.00 0.02 0.00 0.00 54.97 55.16 3if9 s GLU 167 Cb -0.51 -3.17 -0.02 0.00 0.10 0.00 0.00 34.13 30.52 3if9 s GLU 167 CO 0.60 0.21 -0.09 0.42 0.02 0.00 0.00 175.26 176.42 3if9 s ILE 168 N 0.53 3.46 -0.38 -1.63 -1.09 -1.26 -0.98 121.20 119.84 3if9 s ILE 168 Ca 0.02 -0.53 0.02 0.00 -2.23 0.00 0.00 60.65 57.93 3if9 s ILE 168 Cb -0.13 -2.46 0.11 0.00 -1.58 0.00 0.00 42.46 38.40 3if9 s ILE 168 CO 0.01 0.53 0.15 -0.36 -1.23 0.00 0.00 174.94 174.04 3if9 s PHE 169 N 0.05 2.51 0.88 3.97 0.40 0.74 -4.96 117.98 121.58 3if9 s PHE 169 Ca -0.03 -2.46 -0.12 0.00 -0.60 0.00 0.00 56.93 53.73 3if9 s PHE 169 Cb -0.14 -2.23 0.12 0.00 0.51 0.00 0.00 43.02 41.28 3if9 s PHE 169 CO 0.04 -0.85 1.12 -1.21 0.70 0.00 0.00 175.22 175.01 3if9 s GLU 170 N 0.81 1.39 -1.35 0.44 2.02 -1.26 -1.19 118.70 119.56 3if9 s GLU 170 Ca 0.13 0.47 -0.09 0.00 0.02 0.00 0.00 54.97 55.51 3if9 s GLU 170 Cb -0.21 -1.85 0.06 0.00 0.10 0.00 0.00 34.13 32.23 3if9 s GLU 170 CO -0.10 -2.06 0.53 0.72 0.02 0.00 0.00 175.26 174.37 3if9 n HIS 171 N -3.70 -1.84 -3.51 1.61 8.25 -0.26 -4.83 115.22 110.94 3if9 n HIS 171 Ca 0.07 0.49 -0.28 0.00 -0.26 0.00 0.00 57.72 57.74 3if9 n HIS 171 Cb 0.58 -3.30 -0.12 0.00 1.12 0.00 0.00 29.99 28.27 3if9 n HIS 171 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3if9 s THR 172 N -2.99 0.60 0.37 1.59 2.01 -0.44 -4.96 115.64 111.81 3if9 s THR 172 Ca 0.39 -2.32 -0.26 0.00 0.31 0.00 0.00 61.69 59.80 3if9 s THR 172 Cb -0.20 -1.43 -0.09 0.00 0.01 0.00 0.00 72.50 70.80 3if9 s THR 172 CO 0.48 -1.05 1.16 -2.84 -0.69 0.00 0.00 174.62 171.67 3if9 s PRO 173 N 0.46 4.22 -0.12 4.92 0.02 -1.26 -3.60 135.00 139.64 3if9 s PRO 173 Ca 0.23 1.83 -0.15 0.00 0.02 0.00 0.00 61.00 62.93 3if9 s PRO 173 Cb -0.13 -2.80 -0.05 0.00 0.02 0.00 0.00 34.50 31.54 3if9 s PRO 173 CO -0.07 -0.18 0.38 0.08 -0.33 0.00 0.00 177.00 176.88 3if9 s VAL 174 N -1.36 5.22 -0.16 3.83 1.01 -1.26 -4.18 120.40 123.49 3if9 s VAL 174 Ca 0.54 0.74 0.14 0.00 0.00 0.00 0.00 61.98 63.40 3if9 s VAL 174 Cb -0.31 -3.71 -0.20 0.00 0.00 0.00 0.00 36.38 32.16 3if9 s VAL 174 CO 0.39 0.41 0.05 0.18 0.00 0.00 0.00 175.10 176.13 3if9 n LEU 175 N 3.26 0.08 -3.67 3.92 4.77 0.62 -5.00 117.00 120.99 3if9 n LEU 175 Ca -0.11 -0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.73 3if9 n LEU 175 Cb 0.52 0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 41.91 3if9 n LEU 175 CO 0.40 0.42 0.30 -2.28 -1.33 0.00 0.00 177.39 174.91 3if9 s HIS 176 N -2.40 -0.67 -0.16 -1.77 5.04 -1.23 -4.97 115.29 109.12 3if9 s HIS 176 Ca -0.09 1.64 -0.04 0.00 -1.54 0.00 0.00 55.06 55.03 3if9 s HIS 176 Cb 0.05 0.23 -0.03 0.00 0.04 0.00 0.00 32.58 32.87 3if9 s HIS 176 CO 0.67 -0.33 -0.02 0.08 -2.34 0.00 0.00 174.74 172.81 3if9 s VAL 177 N 0.31 3.99 -0.16 0.89 1.01 -1.26 -0.66 120.40 124.52 3if9 s VAL 177 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 3if9 s VAL 177 Cb -0.04 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 3if9 s VAL 177 CO 0.01 0.48 -0.08 -0.70 0.00 0.00 0.00 175.10 174.81 3if9 s GLU 178 N 0.46 3.47 -0.00 2.72 2.56 -0.06 -4.89 118.70 122.95 3if9 s GLU 178 Ca -0.03 -0.62 0.22 0.00 0.00 0.00 0.00 54.97 54.54 3if9 s GLU 178 Cb -0.14 -2.81 -0.22 0.00 2.00 0.00 0.00 34.13 32.95 3if9 s GLU 178 CO 0.02 0.11 0.79 -2.13 -0.56 0.00 0.00 175.26 173.49 3if9 n ARG 179 N 3.87 0.25 -0.10 4.30 0.63 -1.26 -2.94 116.66 121.41 3if9 n ARG 179 Ca -0.18 -0.07 -0.09 0.00 -0.92 0.00 0.00 57.85 56.60 3if9 n ARG 179 Cb 0.52 -1.52 -0.01 0.00 0.45 0.00 0.00 32.46 31.90 3if9 n ARG 179 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 3if9 h ASP 180 N 0.00 0.39 -2.42 6.15 3.58 -1.96 -3.46 116.42 118.70 3if9 h ASP 180 Ca 0.00 -0.03 -0.47 0.00 0.42 0.00 0.00 57.03 56.95 3if9 h ASP 180 Cb 0.69 -0.10 0.11 0.00 1.72 0.00 0.00 39.33 41.75 3if9 h ASP 180 CO 0.00 0.31 0.19 -0.83 -2.88 0.00 0.00 179.24 176.03 3if9 s GLY 181 N -2.55 1.76 0.56 -0.78 0.00 -1.26 -4.95 107.32 100.10 3if9 s GLY 181 Ca -0.13 -1.72 0.34 0.00 0.00 0.00 0.00 44.72 43.20 3if9 s GLY 181 CO 0.72 -1.06 1.80 -2.09 0.00 0.00 0.00 173.10 172.47 3if9 h GLU 182 N -0.87 0.00 -5.26 2.90 4.81 -2.01 -3.40 114.58 110.75 3if9 h GLU 182 Ca -0.37 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 58.48 3if9 h GLU 182 Cb 1.25 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.45 3if9 h GLU 182 CO 0.36 0.00 -0.75 0.00 -0.73 0.00 0.00 179.01 177.89 3if9 s ALA 183 N -4.85 1.36 0.64 2.92 0.00 -1.26 -5.11 121.76 115.45 3if9 s ALA 183 Ca -0.05 -1.25 -0.14 0.00 0.00 0.00 0.00 51.96 50.52 3if9 s ALA 183 Cb 0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 3if9 s ALA 183 CO 0.73 0.05 1.06 -0.51 0.00 0.00 0.00 175.76 177.09 3if9 s LEU 184 N -2.44 3.35 0.06 0.00 1.02 -1.05 -4.80 118.68 114.82 3if9 s LEU 184 Ca 0.07 1.77 -0.10 0.00 0.02 0.00 0.00 54.13 55.90 3if9 s LEU 184 Cb -0.04 -4.52 0.00 0.00 0.02 0.00 0.00 46.19 41.65 3if9 s LEU 184 CO 0.02 -1.34 0.21 0.72 0.02 0.00 0.00 176.35 175.98 3if9 s PHE 185 N -2.64 0.06 0.25 0.29 -0.12 -1.15 -1.36 117.98 113.31 3if9 s PHE 185 Ca 0.62 -0.35 0.12 0.00 -0.05 0.00 0.00 56.93 57.27 3if9 s PHE 185 Cb -0.16 -0.02 -0.05 0.00 -0.63 0.00 0.00 43.02 42.16 3if9 s PHE 185 CO 0.44 -0.48 -0.21 0.96 -0.05 0.00 0.00 175.22 175.87 3if9 s ILE 186 N -3.02 2.43 -0.14 -4.49 -0.00 -0.13 -0.88 121.20 114.98 3if9 s ILE 186 Ca -0.02 -2.28 -0.02 0.00 -0.00 0.00 0.00 60.65 58.34 3if9 s ILE 186 Cb 0.01 -2.24 -0.02 0.00 -0.00 0.00 0.00 42.46 40.21 3if9 s ILE 186 CO -0.06 -0.30 -0.07 -0.54 -0.00 0.00 0.00 174.94 173.97 3if9 s LYS 187 N -3.21 3.46 0.22 0.37 1.02 0.16 -1.72 119.74 120.04 3if9 s LYS 187 Ca 0.27 -0.57 0.06 0.00 0.02 0.00 0.00 55.97 55.74 3if9 s LYS 187 Cb -0.06 -2.78 -0.05 0.00 -0.52 0.00 0.00 37.83 34.42 3if9 s LYS 187 CO 0.13 0.29 -0.08 0.95 -0.92 0.00 0.00 175.35 175.73 3if9 s THR 188 N 0.19 1.43 0.61 2.17 -4.23 -0.23 -0.27 115.64 115.31 3if9 s THR 188 Ca -0.04 -2.11 0.37 0.00 -1.18 0.00 0.00 61.69 58.72 3if9 s THR 188 Cb -0.14 -2.20 0.40 0.00 1.34 0.00 0.00 72.50 71.89 3if9 s THR 188 CO 0.04 -0.47 2.30 -0.65 -0.54 0.00 0.00 174.62 175.30 3if9 h PRO 189 N 2.50 0.00 -0.60 3.99 0.11 -1.96 -1.85 132.00 134.18 3if9 h PRO 189 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3if9 h PRO 189 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3if9 h PRO 189 CO 0.64 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.87 3if9 n SER 190 N -3.48 3.39 0.00 -2.05 7.64 -1.26 -5.04 113.62 112.82 3if9 n SER 190 Ca -0.03 -2.12 0.00 0.00 1.01 0.00 0.00 58.87 57.73 3if9 n SER 190 Cb 0.08 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 3if9 n SER 190 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3if9 n GLY 191 N 1.28 0.87 3.37 0.23 0.00 -0.70 -5.10 105.19 105.14 3if9 n GLY 191 Ca 0.20 -2.30 -0.30 0.00 0.00 0.00 0.00 46.02 43.62 3if9 n GLY 191 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3if9 s ASP 192 N -0.15 3.33 -0.04 1.61 1.01 -1.26 -1.07 116.67 120.09 3if9 s ASP 192 Ca 0.00 -0.53 0.03 0.00 0.71 0.00 0.00 52.55 52.75 3if9 s ASP 192 Cb 0.00 -0.38 0.01 0.00 1.01 0.00 0.00 42.92 43.56 3if9 s ASP 192 CO 0.00 0.27 -0.11 -0.69 0.21 0.00 0.00 175.17 174.85 3if9 s VAL 193 N -0.82 0.97 0.47 -1.27 1.01 -0.70 -4.92 120.40 115.15 3if9 s VAL 193 Ca 0.12 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 3if9 s VAL 193 Cb -0.10 -0.88 -0.07 0.00 0.00 0.00 0.00 36.38 35.33 3if9 s VAL 193 CO 0.02 0.31 0.87 0.26 0.00 0.00 0.00 175.10 176.56 3if9 s TRP 194 N 0.40 3.48 -0.04 5.22 0.51 0.35 -0.95 118.94 127.91 3if9 s TRP 194 Ca -0.08 1.21 -0.22 0.00 -2.12 0.00 0.00 56.10 54.89 3if9 s TRP 194 Cb -0.12 -2.59 0.04 0.00 -0.81 0.00 0.00 33.47 30.00 3if9 s TRP 194 CO 0.02 -0.27 0.47 0.00 -0.51 0.00 0.00 176.95 176.67 3if9 s ALA 195 N -2.56 -1.22 -0.03 0.98 0.00 -0.46 -1.66 121.76 116.81 3if9 s ALA 195 Ca 0.54 0.79 -0.16 0.00 0.00 0.00 0.00 51.96 53.14 3if9 s ALA 195 Cb -0.10 0.01 -0.32 0.00 0.00 0.00 0.00 23.12 22.70 3if9 s ALA 195 CO 0.34 -0.31 0.82 -0.91 0.00 0.00 0.00 175.76 175.70 3if9 h ASN 196 N 3.56 0.65 -4.31 0.00 2.35 -1.10 -2.78 115.58 113.95 3if9 h ASN 196 Ca -0.28 -0.92 -0.54 0.00 -0.55 0.00 0.00 56.30 54.00 3if9 h ASN 196 Cb 1.16 -0.21 -0.29 0.00 0.05 0.00 0.00 38.32 39.03 3if9 h ASN 196 CO 0.39 1.67 -0.83 -1.00 -1.65 0.00 0.00 177.43 176.00 3if9 s HIS 197 N -2.54 1.55 -0.09 1.19 3.76 0.11 -4.73 115.29 114.53 3if9 s HIS 197 Ca -0.14 -0.30 0.03 0.00 -0.15 0.00 0.00 55.06 54.51 3if9 s HIS 197 Cb 0.04 -0.99 -0.01 0.00 1.11 0.00 0.00 32.58 32.73 3if9 s HIS 197 CO 0.87 -0.02 -0.20 0.08 -0.85 0.00 0.00 174.74 174.63 3if9 s VAL 198 N -0.45 2.44 -0.20 -0.90 1.01 -0.66 -0.35 120.40 121.29 3if9 s VAL 198 Ca 0.06 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 3if9 s VAL 198 Cb -0.07 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 3if9 s VAL 198 CO -0.00 0.55 -0.10 -0.69 0.00 0.00 0.00 175.10 174.86 3if9 s VAL 199 N 0.11 2.95 -0.45 2.92 1.01 0.10 -0.78 120.40 126.26 3if9 s VAL 199 Ca -0.10 -0.64 -0.23 0.00 0.00 0.00 0.00 61.98 61.01 3if9 s VAL 199 Cb -0.16 -2.31 0.03 0.00 0.00 0.00 0.00 36.38 33.94 3if9 s VAL 199 CO 0.06 0.47 0.79 -0.69 0.00 0.00 0.00 175.10 175.73 3if9 s VAL 200 N 1.33 4.64 -0.45 2.92 1.01 0.59 0.18 120.40 130.61 3if9 s VAL 200 Ca 0.04 0.42 0.09 0.00 0.00 0.00 0.00 61.98 62.54 3if9 s VAL 200 Cb -0.14 -4.33 0.36 0.00 0.00 0.00 0.00 36.38 32.27 3if9 s VAL 200 CO -0.05 -0.74 0.85 0.00 0.00 0.00 0.00 175.10 175.17 3if9 n ALA 201 N 6.75 3.34 -0.92 5.51 0.00 0.14 -1.00 120.51 134.33 3if9 n ALA 201 Ca 0.02 -3.95 0.08 0.00 0.00 0.00 0.00 53.44 49.59 3if9 n ALA 201 Cb 0.48 -0.83 0.31 0.00 0.00 0.00 0.00 19.45 19.41 3if9 n ALA 201 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3if9 n SER 202 N 0.00 4.51 0.00 0.00 7.64 -1.16 -4.03 113.62 120.58 3if9 n SER 202 Ca 0.27 -2.92 0.00 0.00 1.01 0.00 0.00 58.87 57.23 3if9 n SER 202 Cb 0.57 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 3if9 n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3if9 n GLY 203 N -0.02 2.69 0.00 0.23 0.00 -1.26 -1.85 105.19 104.98 3if9 n GLY 203 Ca 0.23 -0.24 0.05 0.00 0.00 0.00 0.00 46.02 46.06 3if9 n GLY 203 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3if9 n VAL 204 N 0.00 1.22 1.05 1.61 3.14 -1.26 -1.39 118.33 122.71 3if9 n VAL 204 Ca 0.00 0.31 0.12 0.00 -2.96 0.00 0.00 64.34 61.81 3if9 n VAL 204 Cb 0.00 -1.13 0.29 0.00 -1.06 0.00 0.00 33.84 31.95 3if9 n VAL 204 CO 0.00 0.00 0.00 0.79 -6.46 0.00 0.00 176.83 171.16 3if9 n TRP 205 N -1.48 0.14 0.30 1.45 8.01 -0.77 -4.44 117.44 120.65 3if9 n TRP 205 Ca 0.03 -0.07 0.16 0.00 -1.31 0.00 0.00 57.50 56.31 3if9 n TRP 205 Cb 0.12 0.00 0.93 0.00 -2.01 0.00 0.00 31.31 30.34 3if9 n TRP 205 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 3if9 h SER 206 N 3.55 0.00 -0.96 -0.99 0.02 -1.27 -3.17 113.55 110.73 3if9 h SER 206 Ca 0.00 0.00 0.20 0.00 -0.84 0.00 0.00 61.79 61.15 3if9 h SER 206 Cb 0.76 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.19 3if9 h SER 206 CO 0.00 0.04 0.55 1.23 -1.14 0.00 0.00 176.83 177.50 3if9 h GLY 207 N 0.36 1.71 -0.91 -3.77 0.00 -1.84 -0.51 103.07 98.12 3if9 h GLY 207 Ca -0.00 -0.30 0.15 0.00 0.00 0.00 0.00 47.33 47.17 3if9 h GLY 207 CO 0.00 -0.13 -0.38 1.98 0.00 0.00 0.00 176.54 178.01 3if9 h MET 208 N 0.65 -0.02 -0.13 4.80 -1.53 -1.91 -1.87 114.93 114.91 3if9 h MET 208 Ca 0.57 0.00 -0.22 0.00 -3.44 0.00 0.00 59.70 56.62 3if9 h MET 208 Cb 0.95 0.01 0.01 0.00 -0.55 0.00 0.00 31.60 32.02 3if9 h MET 208 CO -0.42 -0.02 -0.77 0.74 0.14 0.00 0.00 176.91 176.58 3if9 h PHE 209 N -0.02 0.95 -0.39 1.39 -1.00 -1.34 -2.29 116.94 114.23 3if9 h PHE 209 Ca 0.33 -0.42 0.07 0.00 2.81 0.00 0.00 57.97 60.76 3if9 h PHE 209 Cb 0.59 -0.15 -0.06 0.00 3.61 0.00 0.00 35.95 39.95 3if9 h PHE 209 CO -0.84 1.24 0.04 0.74 -1.61 0.00 0.00 178.31 177.88 3if9 h PHE 210 N 0.48 0.06 0.25 -0.55 -1.00 -1.38 -1.44 116.94 113.35 3if9 h PHE 210 Ca -0.05 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.74 3if9 h PHE 210 Cb 1.39 0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.98 3if9 h PHE 210 CO 0.08 -0.03 -0.12 0.87 -1.61 0.00 0.00 178.31 177.50 3if9 h LYS 211 N 0.16 -0.32 -1.18 1.51 1.57 -1.05 0.72 116.57 117.98 3if9 h LYS 211 Ca 0.19 0.02 0.34 0.00 -1.87 0.00 0.00 60.65 59.33 3if9 h LYS 211 Cb 0.25 0.07 -0.10 0.00 0.08 0.00 0.00 32.23 32.53 3if9 h LYS 211 CO -0.28 -0.15 0.77 1.96 -0.57 0.00 0.00 179.45 181.18 3if9 h GLN 212 N -0.41 0.22 -0.70 3.15 4.20 -1.22 -1.01 115.11 119.35 3if9 h GLN 212 Ca -0.03 -0.01 -0.32 0.00 0.06 0.00 0.00 58.65 58.35 3if9 h GLN 212 Cb 0.31 -0.05 -0.19 0.00 0.30 0.00 0.00 27.48 27.85 3if9 h GLN 212 CO 0.06 0.15 0.31 1.28 -0.67 0.00 0.00 178.83 179.95 3if9 n LEU 213 N -4.59 5.62 -0.60 1.46 4.77 -0.56 -4.92 117.00 118.18 3if9 n LEU 213 Ca 0.30 -3.54 -0.07 0.00 -0.03 0.00 0.00 56.01 52.67 3if9 n LEU 213 Cb 1.14 -0.74 -0.02 0.00 -2.33 0.00 0.00 43.42 41.47 3if9 n LEU 213 CO 0.26 1.04 -0.07 0.61 -1.33 0.00 0.00 177.39 177.90 3if9 n GLY 214 N -0.89 0.68 3.28 -0.72 0.00 -0.38 -5.01 105.19 102.15 3if9 n GLY 214 Ca 0.45 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 3if9 n GLY 214 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3if9 s LEU 215 N -1.68 2.11 -0.14 0.99 1.43 0.18 -5.02 118.68 116.55 3if9 s LEU 215 Ca 0.00 -0.49 0.17 0.00 -1.03 0.00 0.00 54.13 52.77 3if9 s LEU 215 Cb 0.00 -1.16 0.70 0.00 0.03 0.00 0.00 46.19 45.76 3if9 s LEU 215 CO 0.00 0.24 1.61 0.59 0.23 0.00 0.00 176.35 179.02 3if9 n ASN 216 N 2.13 4.77 -4.67 2.29 5.03 -1.26 -2.52 115.26 121.03 3if9 n ASN 216 Ca -0.16 -2.60 -0.45 0.00 0.87 0.00 0.00 54.58 52.23 3if9 n ASN 216 Cb 0.52 -0.58 -0.04 0.00 -1.02 0.00 0.00 39.78 38.67 3if9 n ASN 216 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3if9 n ASN 217 N 0.77 2.97 -4.37 6.41 3.02 -1.26 -4.98 115.26 117.82 3if9 n ASN 217 Ca 0.25 1.11 -0.29 0.00 -0.03 0.00 0.00 54.58 55.62 3if9 n ASN 217 Cb 0.93 -1.43 -0.13 0.00 -0.61 0.00 0.00 39.78 38.54 3if9 n ASN 217 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3if9 s ALA 218 N 0.52 2.31 -0.03 5.41 0.00 -1.26 -4.72 121.76 123.99 3if9 s ALA 218 Ca 0.74 -1.41 0.07 0.00 0.00 0.00 0.00 51.96 51.37 3if9 s ALA 218 Cb -0.67 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 3if9 s ALA 218 CO 0.43 0.53 -0.23 -0.06 0.00 0.00 0.00 175.76 176.42 3if9 s PHE 219 N -1.00 2.13 -0.15 0.00 0.40 -1.26 -4.45 117.98 113.65 3if9 s PHE 219 Ca 0.13 -0.48 0.01 0.00 -0.60 0.00 0.00 56.93 55.99 3if9 s PHE 219 Cb -0.10 -1.38 0.00 0.00 0.51 0.00 0.00 43.02 42.05 3if9 s PHE 219 CO 0.05 -0.09 -0.17 -1.17 0.70 0.00 0.00 175.22 174.54 3if9 s LEU 220 N -0.39 2.39 0.28 -0.37 2.96 -0.04 -4.96 118.68 118.55 3if9 s LEU 220 Ca 0.05 -0.50 -0.28 0.00 -0.22 0.00 0.00 54.13 53.18 3if9 s LEU 220 Cb -0.10 -1.53 -0.09 0.00 0.50 0.00 0.00 46.19 44.96 3if9 s LEU 220 CO 0.01 0.09 0.97 -2.16 -1.32 0.00 0.00 176.35 173.94 3if9 s PRO 221 N 0.77 4.70 -0.47 0.98 0.04 -1.26 -0.42 135.00 139.35 3if9 s PRO 221 Ca -0.07 1.50 0.02 0.00 0.04 0.00 0.00 61.00 62.50 3if9 s PRO 221 Cb -0.16 -3.08 0.12 0.00 0.04 0.00 0.00 34.50 31.42 3if9 s PRO 221 CO 0.00 0.36 0.21 0.08 0.04 0.00 0.00 177.00 177.69 3if9 s VAL 222 N -1.33 2.70 0.36 -0.36 1.01 -0.38 -0.55 120.40 121.86 3if9 s VAL 222 Ca 0.45 -2.86 -0.28 0.00 0.00 0.00 0.00 61.98 59.29 3if9 s VAL 222 Cb -0.25 -2.89 -0.11 0.00 0.00 0.00 0.00 36.38 33.13 3if9 s VAL 222 CO 0.31 -0.74 1.52 -0.75 0.00 0.00 0.00 175.10 175.44 3if9 s LYS 223 N 0.24 4.10 -0.08 2.72 2.20 0.07 -2.20 119.74 126.80 3if9 s LYS 223 Ca 0.14 2.59 0.01 0.00 -0.36 0.00 0.00 55.97 58.35 3if9 s LYS 223 Cb -0.23 -2.98 0.02 0.00 -1.51 0.00 0.00 37.83 33.14 3if9 s LYS 223 CO -0.03 -0.57 -0.09 0.20 -0.36 0.00 0.00 175.35 174.51 3if9 s GLY 224 N -0.00 0.73 -0.00 5.54 0.00 -0.20 -0.84 107.32 112.54 3if9 s GLY 224 Ca 0.55 -0.38 -0.01 0.00 0.00 0.00 0.00 44.72 44.88 3if9 s GLY 224 CO 0.60 0.48 0.11 -0.54 0.00 0.00 0.00 173.10 173.75 3if9 s GLU 225 N 1.15 3.17 0.14 2.90 2.02 -1.26 -2.11 118.70 124.72 3if9 s GLU 225 Ca -0.06 -0.44 -0.06 0.00 0.02 0.00 0.00 54.97 54.43 3if9 s GLU 225 Cb -0.14 -2.93 -0.02 0.00 0.10 0.00 0.00 34.13 31.14 3if9 s GLU 225 CO -0.02 0.65 0.19 0.00 0.02 0.00 0.00 175.26 176.10 3if9 s LEU 227 N -2.99 1.04 0.05 0.00 0.05 0.02 -1.18 118.68 115.66 3if9 s LEU 227 Ca 0.18 -0.80 0.05 0.00 0.05 0.00 0.00 54.13 53.62 3if9 s LEU 227 Cb 0.05 1.19 -0.02 0.00 -2.05 0.00 0.00 46.19 45.36 3if9 s LEU 227 CO -0.00 -0.86 -0.14 -0.94 -0.55 0.00 0.00 176.35 173.86 3if9 s SER 228 N -2.94 1.65 0.18 1.48 1.04 0.51 -0.05 113.70 115.57 3if9 s SER 228 Ca 0.14 -0.49 0.07 0.00 0.48 0.00 0.00 55.95 56.14 3if9 s SER 228 Cb 0.04 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 3if9 s SER 228 CO -0.03 0.01 -0.14 0.68 0.98 0.00 0.00 173.24 174.73 3if9 s VAL 229 N -0.95 1.59 -0.16 5.02 -7.23 -0.64 -0.27 120.40 117.76 3if9 s VAL 229 Ca 0.01 -2.08 -0.22 0.00 -1.81 0.00 0.00 61.98 57.88 3if9 s VAL 229 Cb -0.08 -1.91 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 3if9 s VAL 229 CO 0.01 -0.56 0.65 0.26 -0.31 0.00 0.00 175.10 175.16 3if9 s TRP 230 N -2.80 3.43 -1.09 2.82 0.52 -0.74 0.08 118.94 121.17 3if9 s TRP 230 Ca 0.19 1.03 -0.12 0.00 0.02 0.00 0.00 56.10 57.22 3if9 s TRP 230 Cb -0.01 -2.80 0.23 0.00 -1.15 0.00 0.00 33.47 29.74 3if9 s TRP 230 CO 0.05 -0.10 1.15 1.21 0.02 0.00 0.00 176.95 179.28 3if9 s ASN 231 N 1.06 7.14 0.00 2.95 2.47 -0.10 -4.26 114.94 124.19 3if9 s ASN 231 Ca 0.31 -3.21 0.26 0.00 0.42 0.00 0.00 52.86 50.64 3if9 s ASN 231 Cb -0.16 -2.27 0.70 0.00 -1.45 0.00 0.00 41.25 38.07 3if9 s ASN 231 CO 0.12 -0.50 1.54 0.47 -3.72 0.00 0.00 177.10 175.01 3if9 n ASP 232 N 3.90 0.67 -0.02 -4.21 8.00 -1.26 -4.55 116.55 119.07 3if9 n ASP 232 Ca 0.26 -0.48 -0.02 0.00 0.71 0.00 0.00 54.79 55.26 3if9 n ASP 232 Cb 0.42 0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 3if9 n ASP 232 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3if9 n ASP 233 N -1.13 4.12 -4.42 -2.24 10.43 -1.26 -5.07 116.55 116.97 3if9 n ASP 233 Ca 0.09 -0.00 -0.29 0.00 2.57 0.00 0.00 54.79 57.16 3if9 n ASP 233 Cb 0.33 0.58 -0.12 0.00 1.84 0.00 0.00 41.12 43.75 3if9 n ASP 233 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 3if9 s ILE 234 N -2.09 2.44 0.19 0.53 -4.36 -1.26 -5.12 121.20 111.54 3if9 s ILE 234 Ca -0.02 -1.72 -0.30 0.00 -0.26 0.00 0.00 60.65 58.35 3if9 s ILE 234 Cb 0.01 -2.11 -0.08 0.00 1.25 0.00 0.00 42.46 41.53 3if9 s ILE 234 CO 0.14 0.06 1.19 -2.16 0.24 0.00 0.00 174.94 174.42 3if9 s PRO 235 N -2.17 4.50 -0.30 0.37 0.04 -1.26 -5.02 135.00 131.16 3if9 s PRO 235 Ca 0.16 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.07 3if9 s PRO 235 Cb -0.10 -3.24 0.19 0.00 0.04 0.00 0.00 34.50 31.40 3if9 s PRO 235 CO 0.08 -0.07 0.60 -1.17 0.04 0.00 0.00 177.00 176.47 3if9 s LEU 236 N -0.31 -1.43 -0.22 -3.56 2.96 -1.26 -4.82 118.68 110.05 3if9 s LEU 236 Ca 0.52 0.75 0.05 0.00 -0.22 0.00 0.00 54.13 55.24 3if9 s LEU 236 Cb -0.33 2.14 -0.20 0.00 0.50 0.00 0.00 46.19 48.30 3if9 s LEU 236 CO 0.37 -0.27 -0.06 0.41 -1.32 0.00 0.00 176.35 175.48 3if9 n THR 237 N 5.43 1.50 -3.78 3.68 -1.04 -1.26 -4.84 114.28 113.97 3if9 n THR 237 Ca 0.00 -0.66 -0.29 0.00 -2.04 0.00 0.00 64.05 61.06 3if9 n THR 237 Cb 0.52 -1.21 -0.04 0.00 -1.82 0.00 0.00 70.33 67.78 3if9 n THR 237 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3if9 s LYS 238 N -2.52 3.51 0.27 -2.82 1.02 -1.26 -4.55 119.74 113.39 3if9 s LYS 238 Ca -0.27 -0.34 -0.29 0.00 0.02 0.00 0.00 55.97 55.09 3if9 s LYS 238 Cb 0.08 -2.90 -0.09 0.00 -0.52 0.00 0.00 37.83 34.39 3if9 s LYS 238 CO 0.68 0.48 1.13 0.99 -0.92 0.00 0.00 175.35 177.71 3if9 s THR 239 N -1.72 3.44 -0.12 2.17 2.01 0.50 -4.68 115.64 117.24 3if9 s THR 239 Ca 0.38 1.42 -0.04 0.00 0.31 0.00 0.00 61.69 63.75 3if9 s THR 239 Cb -0.12 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 3if9 s THR 239 CO 0.28 0.33 0.04 -0.76 -0.69 0.00 0.00 174.62 173.81 3if9 s LEU 240 N -1.32 3.78 0.01 4.42 1.43 -0.42 -0.84 118.68 125.73 3if9 s LEU 240 Ca 0.46 0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.74 3if9 s LEU 240 Cb -0.33 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 3if9 s LEU 240 CO 0.41 0.32 -0.04 -0.47 0.23 0.00 0.00 176.35 176.80 3if9 s TYR 241 N -0.50 0.35 -0.29 0.29 5.04 -0.58 -0.90 117.35 120.75 3if9 s TYR 241 Ca 0.10 -0.20 -0.19 0.00 -2.44 0.00 0.00 57.07 54.34 3if9 s TYR 241 Cb -0.12 -0.22 0.15 0.00 0.35 0.00 0.00 41.96 42.12 3if9 s TYR 241 CO 0.02 -0.04 1.06 -1.58 -1.34 0.00 0.00 175.55 173.67 3if9 s HIS 242 N -0.50 -0.44 -1.46 4.97 2.46 0.22 -0.93 115.29 119.60 3if9 s HIS 242 Ca -0.03 0.94 -0.05 0.00 0.47 0.00 0.00 55.06 56.39 3if9 s HIS 242 Cb -0.04 0.32 0.01 0.00 -0.13 0.00 0.00 32.58 32.74 3if9 s HIS 242 CO -0.00 -0.22 0.21 -3.47 -2.47 0.00 0.00 174.74 168.79 3if9 n ASP 243 N 3.09 -0.15 0.00 9.88 2.03 -1.26 -0.19 116.55 129.95 3if9 n ASP 243 Ca -0.16 -1.20 0.00 0.00 0.52 0.00 0.00 54.79 53.94 3if9 n ASP 243 Cb 0.57 -2.04 0.00 0.00 -0.72 0.00 0.00 41.12 38.93 3if9 n ASP 243 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3if9 n ALA 244 N -4.58 0.00 -2.71 -1.67 0.00 -1.26 -4.99 120.51 105.30 3if9 n ALA 244 Ca -0.29 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 52.92 3if9 n ALA 244 Cb 0.68 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 19.17 3if9 n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3if9 s TYR 246 N -2.17 -0.43 -0.06 0.00 -0.85 0.06 -0.61 117.35 113.29 3if9 s TYR 246 Ca 0.31 0.18 -0.02 0.00 -0.52 0.00 0.00 57.07 57.03 3if9 s TYR 246 Cb -0.07 0.47 0.03 0.00 0.38 0.00 0.00 41.96 42.76 3if9 s TYR 246 CO 0.21 -0.81 0.02 0.42 -1.52 0.00 0.00 175.55 173.88 3if9 s ILE 247 N -3.77 0.18 -0.16 -3.49 1.01 -0.08 -2.70 121.20 112.20 3if9 s ILE 247 Ca 0.02 0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.91 3if9 s ILE 247 Cb -0.00 -0.37 0.02 0.00 0.01 0.00 0.00 42.46 42.11 3if9 s ILE 247 CO -0.12 0.22 -0.16 -0.69 0.00 0.00 0.00 174.94 174.19 3if9 s VAL 248 N 2.01 1.72 -0.26 2.92 1.01 0.05 -1.30 120.40 126.55 3if9 s VAL 248 Ca 0.04 -0.73 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 3if9 s VAL 248 Cb -0.12 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 3if9 s VAL 248 CO -0.04 0.48 0.79 -2.16 0.00 0.00 0.00 175.10 174.18 3if9 s PRO 249 N 1.42 4.13 0.22 2.72 0.04 -1.26 -0.60 135.00 141.67 3if9 s PRO 249 Ca 0.05 0.81 -0.04 0.00 0.04 0.00 0.00 61.00 61.87 3if9 s PRO 249 Cb -0.13 -3.66 -0.05 0.00 0.04 0.00 0.00 34.50 30.70 3if9 s PRO 249 CO -0.11 -0.54 0.45 1.03 0.04 0.00 0.00 177.00 177.87 3if9 s ARG 250 N 2.83 3.60 0.00 4.56 1.81 -0.39 -4.97 118.95 126.38 3if9 s ARG 250 Ca 0.33 -0.13 0.00 0.00 -1.72 0.00 0.00 55.73 54.21 3if9 s ARG 250 Cb -0.15 -2.76 0.00 0.00 -0.45 0.00 0.00 34.95 31.59 3if9 s ARG 250 CO 0.09 0.35 0.51 0.36 -0.68 0.00 0.00 175.30 175.92 3if9 n LYS 251 N -0.56 0.69 -0.02 3.54 2.85 -1.26 -1.79 118.16 121.61 3if9 n LYS 251 Ca -0.03 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.32 3if9 n LYS 251 Cb 0.53 -1.18 -0.17 0.00 -0.65 0.00 0.00 35.03 33.56 3if9 n LYS 251 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3if9 n SER 252 N -0.15 0.04 0.00 -5.58 3.41 -1.26 -4.98 113.62 105.10 3if9 n SER 252 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3if9 n SER 252 Cb 0.09 1.91 0.00 0.00 -0.26 0.00 0.00 64.21 65.95 3if9 n SER 252 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3if9 n GLY 253 N 1.31 0.54 3.83 5.00 0.00 -0.74 -5.06 105.19 110.07 3if9 n GLY 253 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 3if9 n GLY 253 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3if9 s ARG 254 N -0.71 3.88 -0.06 1.61 0.52 -1.26 -0.92 118.95 122.01 3if9 s ARG 254 Ca 0.00 1.07 0.04 0.00 -0.52 0.00 0.00 55.73 56.32 3if9 s ARG 254 Cb 0.00 -2.12 -0.02 0.00 0.52 0.00 0.00 34.95 33.33 3if9 s ARG 254 CO 0.00 -0.33 -0.16 -0.51 0.02 0.00 0.00 175.30 174.31 3if9 s LEU 255 N -3.91 2.59 -0.17 2.53 1.43 0.11 -1.27 118.68 119.99 3if9 s LEU 255 Ca 0.61 -0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 53.38 3if9 s LEU 255 Cb -0.11 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 3if9 s LEU 255 CO 0.28 0.30 -0.00 -0.69 0.23 0.00 0.00 176.35 176.46 3if9 s VAL 256 N -0.46 4.12 -0.06 -1.59 1.01 0.24 -1.61 120.40 122.05 3if9 s VAL 256 Ca 0.05 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.77 3if9 s VAL 256 Cb -0.12 -2.83 0.02 0.00 0.00 0.00 0.00 36.38 33.45 3if9 s VAL 256 CO 0.02 0.47 -0.06 -0.69 0.00 0.00 0.00 175.10 174.83 3if9 s VAL 257 N 0.51 0.71 0.25 2.92 1.01 0.93 -0.77 120.40 125.97 3if9 s VAL 257 Ca -0.01 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.57 3if9 s VAL 257 Cb -0.14 -0.72 0.07 0.00 0.00 0.00 0.00 36.38 35.59 3if9 s VAL 257 CO 0.02 0.27 0.96 -0.83 0.00 0.00 0.00 175.10 175.52 3if9 s GLY 258 N 1.04 0.22 0.17 4.51 0.00 -1.10 -0.80 107.32 111.36 3if9 s GLY 258 Ca -0.09 -0.50 -0.17 0.00 0.00 0.00 0.00 44.72 43.97 3if9 s GLY 258 CO -0.00 1.63 0.47 0.00 0.00 0.00 0.00 173.10 175.20 3if9 s ALA 259 N -2.16 -0.91 0.82 3.20 0.00 -1.26 -0.76 121.76 120.70 3if9 s ALA 259 Ca 0.20 -0.17 -0.12 0.00 0.00 0.00 0.00 51.96 51.87 3if9 s ALA 259 Cb -0.03 0.81 0.10 0.00 0.00 0.00 0.00 23.12 23.99 3if9 s ALA 259 CO 0.07 -0.74 1.17 0.95 0.00 0.00 0.00 175.76 177.22 3if9 s THR 260 N -3.85 2.05 -0.31 0.00 -4.23 -1.10 -4.84 115.64 103.36 3if9 s THR 260 Ca 0.07 -0.05 -0.03 0.00 -1.18 0.00 0.00 61.69 60.50 3if9 s THR 260 Cb 0.00 -2.99 0.11 0.00 1.34 0.00 0.00 72.50 70.96 3if9 s THR 260 CO -0.06 0.00 0.15 -0.04 -0.54 0.00 0.00 174.62 174.13 3if9 s MET 261 N -5.57 0.36 -0.39 3.99 -1.94 -1.24 -4.15 119.30 110.36 3if9 s MET 261 Ca 0.64 -0.81 0.03 0.00 -1.71 0.00 0.00 55.69 53.84 3if9 s MET 261 Cb -0.10 -1.32 0.11 0.00 2.01 0.00 0.00 34.83 35.53 3if9 s MET 261 CO 0.49 -1.06 0.11 0.15 -0.01 0.00 0.00 175.02 174.70 3if9 s LYS 262 N 1.77 1.64 0.18 2.03 -0.14 -0.02 -4.92 119.74 120.28 3if9 s LYS 262 Ca 0.11 -2.05 -0.30 0.00 -1.36 0.00 0.00 55.97 52.37 3if9 s LYS 262 Cb -0.18 -3.27 -0.08 0.00 -1.68 0.00 0.00 37.83 32.63 3if9 s LYS 262 CO -0.26 -0.99 1.03 -1.25 -0.76 0.00 0.00 175.35 173.12 3if9 s PRO 263 N 0.64 4.68 0.00 -1.68 0.04 -1.26 -0.75 135.00 136.66 3if9 s PRO 263 Ca 0.12 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.77 3if9 s PRO 263 Cb -0.21 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.03 3if9 s PRO 263 CO -0.06 0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.60 3if9 n GLY 264 N 1.92 0.93 3.65 0.56 0.00 0.29 -4.96 105.19 107.59 3if9 n GLY 264 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3if9 n GLY 264 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3if9 s ASP 265 N -2.90 6.60 0.00 1.61 -1.08 -1.24 -4.96 116.67 114.71 3if9 s ASP 265 Ca 0.00 0.72 0.24 0.00 -0.52 0.00 0.00 52.55 53.00 3if9 s ASP 265 Cb 0.00 -2.32 0.32 0.00 -1.46 0.00 0.00 42.92 39.46 3if9 s ASP 265 CO 0.00 -0.25 1.33 0.79 0.52 0.00 0.00 175.17 177.56 3if9 n TRP 266 N 5.09 0.04 -2.44 -5.34 7.02 -1.26 -4.22 117.44 116.34 3if9 n TRP 266 Ca -0.03 -0.02 -0.39 0.00 -1.02 0.00 0.00 57.50 56.04 3if9 n TRP 266 Cb 0.50 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.35 3if9 n TRP 266 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3if9 s SER 267 N -1.95 6.89 -0.09 -0.99 1.04 -1.26 -4.97 113.70 112.37 3if9 s SER 267 Ca 0.30 2.23 0.13 0.00 0.48 0.00 0.00 55.95 59.10 3if9 s SER 267 Cb 0.20 -2.61 0.40 0.00 0.10 0.00 0.00 66.02 64.12 3if9 s SER 267 CO 0.31 -0.41 1.33 -0.62 0.98 0.00 0.00 173.24 174.82 3if9 n GLU 268 N 0.48 2.88 -4.61 4.02 1.02 -1.26 -4.84 120.64 118.34 3if9 n GLU 268 Ca 0.02 -2.42 -0.24 0.00 -0.02 0.00 0.00 57.16 54.50 3if9 n GLU 268 Cb 0.47 -1.54 -0.14 0.00 -0.02 0.00 0.00 31.44 30.20 3if9 n GLU 268 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3if9 s THR 269 N -1.90 1.45 0.31 2.62 -4.23 -1.26 -3.96 115.64 108.66 3if9 s THR 269 Ca 0.32 -1.04 -0.29 0.00 -1.18 0.00 0.00 61.69 59.50 3if9 s THR 269 Cb 0.23 -1.26 -0.10 0.00 1.34 0.00 0.00 72.50 72.71 3if9 s THR 269 CO 0.12 0.19 1.32 -2.84 -0.54 0.00 0.00 174.62 172.87 3if9 s PRO 270 N -0.99 4.35 0.75 3.99 0.02 -1.26 -4.91 135.00 136.95 3if9 s PRO 270 Ca 0.06 2.20 -0.11 0.00 0.02 0.00 0.00 61.00 63.17 3if9 s PRO 270 Cb -0.08 -3.09 0.05 0.00 0.02 0.00 0.00 34.50 31.39 3if9 s PRO 270 CO 0.01 -0.22 1.12 -0.51 -0.33 0.00 0.00 177.00 177.07 3if9 s ASP 271 N -0.29 5.00 -0.03 2.53 1.11 -1.26 -4.98 116.67 118.74 3if9 s ASP 271 Ca 0.51 0.92 -0.25 0.00 0.18 0.00 0.00 52.55 53.91 3if9 s ASP 271 Cb -0.40 -1.58 -0.20 0.00 1.07 0.00 0.00 42.92 41.81 3if9 s ASP 271 CO 0.50 -1.60 1.17 0.25 1.18 0.00 0.00 175.17 176.67 3if9 h LEU 272 N -0.82 -0.05 -1.03 1.23 6.46 -1.99 -2.73 115.31 116.38 3if9 h LEU 272 Ca -0.45 -0.48 0.20 0.00 -0.12 0.00 0.00 57.88 57.02 3if9 h LEU 272 Cb 1.29 0.01 -0.11 0.00 -0.73 0.00 0.00 40.66 41.13 3if9 h LEU 272 CO 0.65 0.47 0.61 1.23 -0.62 0.00 0.00 178.44 180.78 3if9 h GLY 273 N -0.60 1.76 0.71 3.75 0.00 -1.99 0.11 103.07 106.81 3if9 h GLY 273 Ca -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 3if9 h GLY 273 CO 0.01 -0.08 -0.03 -1.33 0.00 0.00 0.00 176.54 175.11 3if9 h GLY 274 N 0.73 0.22 1.24 4.60 0.00 -1.96 -2.42 103.07 105.48 3if9 h GLY 274 Ca 0.58 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.69 3if9 h GLY 274 CO -0.38 0.17 0.28 1.41 0.00 0.00 0.00 176.54 178.02 3if9 h LEU 275 N -0.13 0.89 -0.89 3.11 3.38 -1.11 -2.00 115.31 118.56 3if9 h LEU 275 Ca 0.02 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.95 3if9 h LEU 275 Cb 0.46 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 3if9 h LEU 275 CO 0.01 0.79 0.55 -0.08 0.09 0.00 0.00 178.44 179.80 3if9 h GLU 276 N 0.96 0.95 0.00 1.13 4.81 -0.66 -2.54 114.58 119.24 3if9 h GLU 276 Ca 0.23 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.27 3if9 h GLU 276 Cb 0.16 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3if9 h GLU 276 CO -0.02 0.63 -0.63 0.66 -0.73 0.00 0.00 179.01 178.91 3if9 h SER 277 N 0.97 0.00 -0.60 1.04 4.64 -0.90 -2.12 113.55 116.59 3if9 h SER 277 Ca 0.40 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.62 3if9 h SER 277 Cb 0.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3if9 h SER 277 CO -0.19 0.63 -0.02 0.58 -0.87 0.00 0.00 176.83 176.96 3if9 h VAL 278 N 0.00 1.27 -0.40 0.95 2.07 -1.16 -2.05 116.25 116.92 3if9 h VAL 278 Ca -0.01 -1.17 -0.06 0.00 0.82 0.00 0.00 66.70 66.29 3if9 h VAL 278 Cb 1.37 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 3if9 h VAL 278 CO 0.08 0.42 0.03 0.24 0.02 0.00 0.00 177.57 178.37 3if9 h MET 279 N 0.97 0.69 -0.06 1.57 2.07 -1.34 -1.75 114.93 117.09 3if9 h MET 279 Ca 0.17 -0.20 0.03 0.00 -2.07 0.00 0.00 59.70 57.62 3if9 h MET 279 Cb 0.58 -0.07 -0.03 0.00 -1.87 0.00 0.00 31.60 30.20 3if9 h MET 279 CO 0.03 0.76 -0.12 -0.22 1.07 0.00 0.00 176.91 178.43 3if9 h LYS 280 N 0.53 -0.17 -0.17 1.72 3.64 -1.28 -2.68 116.57 118.17 3if9 h LYS 280 Ca 0.12 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3if9 h LYS 280 Cb 0.42 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3if9 h LYS 280 CO 0.01 -0.11 0.07 -0.22 -2.27 0.00 0.00 179.45 176.93 3if9 h LYS 281 N -0.18 0.25 -0.83 1.90 1.63 -1.35 -2.94 116.57 115.05 3if9 h LYS 281 Ca 0.06 -0.04 0.14 0.00 -0.85 0.00 0.00 60.65 59.96 3if9 h LYS 281 Cb 0.27 -0.04 -0.09 0.00 -0.60 0.00 0.00 32.23 31.77 3if9 h LYS 281 CO -0.16 0.32 0.43 0.00 -3.45 0.00 0.00 179.45 176.58 3if9 h ALA 282 N 0.91 1.23 0.00 5.00 0.00 -1.26 -1.60 119.26 123.55 3if9 h ALA 282 Ca 0.06 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3if9 h ALA 282 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3if9 h ALA 282 CO -0.00 -0.07 -0.23 0.87 0.00 0.00 0.00 179.25 179.81 3if9 h LYS 283 N 0.63 0.00 0.00 0.00 1.57 -1.30 0.38 116.57 117.85 3if9 h LYS 283 Ca 0.44 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.13 3if9 h LYS 283 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 3if9 h LYS 283 CO -0.34 0.23 -0.45 1.79 -0.57 0.00 0.00 179.45 180.11 3if9 h THR 284 N 0.00 1.07 0.12 -0.16 1.35 -1.20 -2.91 112.91 111.18 3if9 h THR 284 Ca -0.00 -1.69 -0.34 0.00 -0.55 0.00 0.00 66.41 63.83 3if9 h THR 284 Cb 0.42 1.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.81 3if9 h THR 284 CO 0.03 0.44 -1.81 0.24 -0.25 0.00 0.00 175.52 174.16 3if9 h MET 285 N 0.00 0.25 -2.19 4.72 2.86 -1.17 -3.43 114.93 115.97 3if9 h MET 285 Ca -0.00 -0.43 -0.54 0.00 -2.06 0.00 0.00 59.70 56.67 3if9 h MET 285 Cb 0.94 0.16 -0.35 0.00 0.06 0.00 0.00 31.60 32.41 3if9 h MET 285 CO 0.06 1.11 -0.93 -0.11 1.06 0.00 0.00 176.91 178.10 3if9 n LEU 286 N -3.44 -0.82 -0.32 1.22 7.94 0.04 -1.04 117.00 120.58 3if9 n LEU 286 Ca -0.25 -4.21 0.23 0.00 -1.11 0.00 0.00 56.01 50.66 3if9 n LEU 286 Cb 1.05 0.58 0.45 0.00 0.53 0.00 0.00 43.42 46.03 3if9 n LEU 286 CO 0.47 1.87 1.04 -0.65 -1.11 0.00 0.00 177.39 179.01 3if9 h PRO 287 N 5.52 0.19 0.00 1.96 0.11 -1.70 0.85 132.00 138.92 3if9 h PRO 287 Ca 0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3if9 h PRO 287 Cb 0.93 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3if9 h PRO 287 CO 0.33 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 178.25 3if9 h ALA 288 N 1.88 1.00 0.00 -0.75 0.00 -1.88 -2.66 119.26 116.86 3if9 h ALA 288 Ca 0.71 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.61 3if9 h ALA 288 Cb 1.65 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 3if9 h ALA 288 CO -0.68 -0.00 -0.03 0.97 0.00 0.00 0.00 179.25 179.50 3if9 h ILE 289 N 0.00 0.60 -0.98 0.00 2.10 -1.18 -2.08 117.51 115.97 3if9 h ILE 289 Ca 0.00 -0.13 0.33 0.00 1.08 0.00 0.00 64.86 66.14 3if9 h ILE 289 Cb 0.01 1.08 -0.17 0.00 -1.09 0.00 0.00 36.82 36.65 3if9 h ILE 289 CO 0.00 0.03 0.39 1.56 -1.08 0.00 0.00 178.15 179.05 3if9 h GLN 290 N 0.00 0.12 -0.69 2.19 4.20 -1.70 -2.52 115.11 116.70 3if9 h GLN 290 Ca -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3if9 h GLN 290 Cb 0.08 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3if9 h GLN 290 CO 0.00 0.08 0.00 0.09 -0.67 0.00 0.00 178.83 178.33 3if9 n ASN 291 N -5.25 4.10 -4.77 1.46 3.02 -0.78 -4.91 115.26 108.14 3if9 n ASN 291 Ca 0.31 -2.16 -0.37 0.00 -0.03 0.00 0.00 54.58 52.33 3if9 n ASN 291 Cb 1.00 -0.51 -0.07 0.00 -0.61 0.00 0.00 39.78 39.59 3if9 n ASN 291 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3if9 s MET 292 N -1.34 4.08 0.08 3.52 -1.94 -0.95 -5.04 119.30 117.70 3if9 s MET 292 Ca 0.48 0.12 -0.31 0.00 -1.71 0.00 0.00 55.69 54.28 3if9 s MET 292 Cb 0.27 -3.36 -0.08 0.00 2.01 0.00 0.00 34.83 33.68 3if9 s MET 292 CO 0.29 0.39 1.55 -1.59 -0.01 0.00 0.00 175.02 175.65 3if9 s LYS 293 N -0.01 4.24 0.37 2.03 -2.85 -1.26 -4.84 119.74 117.41 3if9 s LYS 293 Ca 0.18 2.22 -0.28 0.00 -1.00 0.00 0.00 55.97 57.09 3if9 s LYS 293 Cb -0.13 -3.47 -0.10 0.00 -2.06 0.00 0.00 37.83 32.06 3if9 s LYS 293 CO 0.06 -0.64 1.35 0.08 0.10 0.00 0.00 175.35 176.30 3if9 s VAL 294 N 2.13 2.51 -0.03 1.79 1.01 -1.26 -1.78 120.40 124.77 3if9 s VAL 294 Ca 0.70 0.49 -0.05 0.00 0.00 0.00 0.00 61.98 63.12 3if9 s VAL 294 Cb -0.38 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 3if9 s VAL 294 CO 0.30 0.10 -0.09 -0.67 0.00 0.00 0.00 175.10 174.75 3if9 n ASP 295 N 0.46 0.68 -3.87 3.32 4.64 0.62 -4.87 116.55 117.54 3if9 n ASP 295 Ca 0.02 0.11 -0.09 0.00 -1.38 0.00 0.00 54.79 53.44 3if9 n ASP 295 Cb 0.42 -0.41 -0.08 0.00 -1.04 0.00 0.00 41.12 40.01 3if9 n ASP 295 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3if9 s ARG 296 N -1.65 0.80 0.01 -0.67 0.52 -1.20 -4.98 118.95 111.77 3if9 s ARG 296 Ca -0.07 -0.90 0.04 0.00 -0.52 0.00 0.00 55.73 54.28 3if9 s ARG 296 Cb 0.01 0.32 -0.01 0.00 0.52 0.00 0.00 34.95 35.79 3if9 s ARG 296 CO 0.11 -0.24 -0.11 -0.59 0.02 0.00 0.00 175.30 174.48 3if9 s PHE 297 N -3.57 0.98 0.32 -0.53 -0.12 -1.26 -0.36 117.98 113.44 3if9 s PHE 297 Ca 0.03 -0.25 -0.19 0.00 -0.05 0.00 0.00 56.93 56.47 3if9 s PHE 297 Cb 0.04 -0.61 0.03 0.00 -0.63 0.00 0.00 43.02 41.85 3if9 s PHE 297 CO -0.09 -0.01 0.74 1.67 -0.05 0.00 0.00 175.22 177.48 3if9 s TRP 298 N -0.51 -0.06 0.15 3.49 -2.14 -0.33 -4.93 118.94 114.61 3if9 s TRP 298 Ca 0.02 -0.48 -0.10 0.00 2.66 0.00 0.00 56.10 58.19 3if9 s TRP 298 Cb -0.06 0.75 0.00 0.00 -3.10 0.00 0.00 33.47 31.07 3if9 s TRP 298 CO 0.00 -1.37 0.30 0.00 -2.66 0.00 0.00 176.95 173.22 3if9 s ALA 299 N -3.30 -0.23 0.27 2.67 0.00 -1.25 -0.08 121.76 119.84 3if9 s ALA 299 Ca 0.13 -0.68 -0.20 0.00 0.00 0.00 0.00 51.96 51.21 3if9 s ALA 299 Cb -0.06 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.84 3if9 s ALA 299 CO 0.09 -0.63 0.68 0.20 0.00 0.00 0.00 175.76 176.09 3if9 s GLY 300 N -2.92 0.02 -0.41 0.00 0.00 -0.90 -4.73 107.32 98.38 3if9 s GLY 300 Ca 0.12 -0.40 -0.11 0.00 0.00 0.00 0.00 44.72 44.33 3if9 s GLY 300 CO -0.04 -0.18 0.27 1.08 0.00 0.00 0.00 173.10 174.23 3if9 s LEU 301 N -2.94 5.09 0.19 0.66 1.43 -1.26 -1.04 118.68 120.81 3if9 s LEU 301 Ca 0.13 -1.27 -0.32 0.00 -1.03 0.00 0.00 54.13 51.64 3if9 s LEU 301 Cb -0.05 -2.04 -0.11 0.00 0.03 0.00 0.00 46.19 44.02 3if9 s LEU 301 CO 0.07 -0.50 1.60 -0.13 0.23 0.00 0.00 176.35 177.62 3if9 s ARG 302 N 1.52 4.19 -0.96 1.70 0.52 -0.93 -4.75 118.95 120.24 3if9 s ARG 302 Ca 0.03 2.44 -0.24 0.00 -0.52 0.00 0.00 55.73 57.44 3if9 s ARG 302 Cb -0.22 -3.12 0.05 0.00 0.52 0.00 0.00 34.95 32.18 3if9 s ARG 302 CO 0.05 -0.64 1.40 -1.25 0.02 0.00 0.00 175.30 174.89 3if9 s PRO 303 N 0.98 3.50 0.40 3.54 0.04 -1.26 -1.25 135.00 140.96 3if9 s PRO 303 Ca 0.70 -0.95 -0.14 0.00 0.04 0.00 0.00 61.00 60.66 3if9 s PRO 303 Cb -0.45 -5.10 -0.08 0.00 0.04 0.00 0.00 34.50 28.91 3if9 s PRO 303 CO 0.33 -2.19 0.82 0.20 0.04 0.00 0.00 177.00 176.20 3if9 s GLY 304 N 4.68 2.11 0.27 0.56 0.00 0.44 -4.00 107.32 111.39 3if9 s GLY 304 Ca 0.43 -0.01 0.05 0.00 0.00 0.00 0.00 44.72 45.19 3if9 s GLY 304 CO -0.05 0.21 -0.01 -0.51 0.00 0.00 0.00 173.10 172.73 3if9 s THR 305 N -2.30 1.32 0.25 0.90 -4.23 -1.26 -0.86 115.64 109.46 3if9 s THR 305 Ca 0.54 -2.06 -0.07 0.00 -1.18 0.00 0.00 61.69 58.91 3if9 s THR 305 Cb -0.10 -2.47 0.32 0.00 1.34 0.00 0.00 72.50 71.59 3if9 s THR 305 CO 0.26 -0.25 1.61 0.11 -0.54 0.00 0.00 174.62 175.80 3if9 h LYS 306 N 2.32 0.04 -0.41 3.99 1.57 -1.91 -2.77 116.57 119.40 3if9 h LYS 306 Ca -0.39 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3if9 h LYS 306 Cb 1.23 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3if9 h LYS 306 CO 0.67 0.03 0.00 -0.40 -0.57 0.00 0.00 179.45 179.18 3if9 n ASP 307 N -5.44 3.20 0.00 0.86 3.85 -1.26 -4.97 116.55 112.78 3if9 n ASP 307 Ca 0.14 -2.07 0.00 0.00 -0.71 0.00 0.00 54.79 52.15 3if9 n ASP 307 Cb 0.48 -0.30 0.00 0.00 -1.35 0.00 0.00 41.12 39.95 3if9 n ASP 307 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3if9 n GLY 308 N 0.66 2.72 3.92 6.12 0.00 -1.05 -5.02 105.19 112.55 3if9 n GLY 308 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3if9 n GLY 308 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3if9 s LYS 309 N -0.19 3.47 0.93 1.61 -0.14 -1.26 -4.54 119.74 119.62 3if9 s LYS 309 Ca 0.00 -0.42 -0.12 0.00 -1.36 0.00 0.00 55.97 54.07 3if9 s LYS 309 Cb 0.00 -2.98 0.15 0.00 -1.68 0.00 0.00 37.83 33.32 3if9 s LYS 309 CO 0.00 0.55 1.11 -1.25 -0.76 0.00 0.00 175.35 175.00 3if9 s PRO 310 N -2.76 0.95 -0.34 -1.68 0.04 -1.21 -4.73 135.00 125.27 3if9 s PRO 310 Ca 0.36 0.48 -0.11 0.00 0.04 0.00 0.00 61.00 61.78 3if9 s PRO 310 Cb -0.12 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.62 3if9 s PRO 310 CO 0.28 -2.37 0.19 0.71 0.04 0.00 0.00 177.00 175.85 3if9 s TYR 311 N -3.09 3.21 -0.22 0.56 1.51 0.05 -4.62 117.35 114.74 3if9 s TYR 311 Ca 0.64 -0.70 -0.01 0.00 -1.01 0.00 0.00 57.07 55.99 3if9 s TYR 311 Cb -0.17 -2.41 0.06 0.00 -0.11 0.00 0.00 41.96 39.34 3if9 s TYR 311 CO 0.56 -0.53 -0.00 0.42 -1.11 0.00 0.00 175.55 174.88 3if9 s ILE 312 N 1.60 1.07 -5.00 2.71 1.01 0.12 -1.44 121.20 121.26 3if9 s ILE 312 Ca 0.04 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.72 3if9 s ILE 312 Cb -0.18 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.81 3if9 s ILE 312 CO 0.07 -0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.43 3if9 n GLY 313 N 4.84 -0.38 3.85 6.18 0.00 -0.22 -4.40 105.19 115.06 3if9 n GLY 313 Ca -0.10 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 3if9 n GLY 313 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3if9 s ARG 314 N -2.00 3.98 0.11 1.61 0.52 -1.26 -0.25 118.95 121.67 3if9 s ARG 314 Ca 0.00 0.60 -0.33 0.00 -0.52 0.00 0.00 55.73 55.48 3if9 s ARG 314 Cb 0.00 -2.53 -0.12 0.00 0.52 0.00 0.00 34.95 32.82 3if9 s ARG 314 CO 0.00 0.22 1.72 1.58 0.02 0.00 0.00 175.30 178.84 3if9 n HIS 315 N -0.20 2.45 0.28 -0.53 -0.00 0.17 -4.58 115.22 112.81 3if9 n HIS 315 Ca 0.02 0.07 0.15 0.00 -0.00 0.00 0.00 57.72 57.97 3if9 n HIS 315 Cb 0.53 -2.64 0.84 0.00 -0.00 0.00 0.00 29.99 28.73 3if9 n HIS 315 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3if9 h PRO 316 N 7.35 0.00 0.00 1.57 0.13 -1.96 -1.67 132.00 137.42 3if9 h PRO 316 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3if9 h PRO 316 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3if9 h PRO 316 CO 0.92 0.07 -0.92 0.39 -0.23 0.00 0.00 178.00 178.23 3if9 n GLU 317 N -3.51 0.05 -3.32 0.86 -0.58 -1.26 -4.92 120.64 107.95 3if9 n GLU 317 Ca -0.02 -0.01 -0.09 0.00 -0.42 0.00 0.00 57.16 56.63 3if9 n GLU 317 Cb 0.19 -1.51 -0.07 0.00 -0.57 0.00 0.00 31.44 29.48 3if9 n GLU 317 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3if9 s ASP 318 N -3.13 0.24 0.00 1.62 -1.08 -0.63 -5.02 116.67 108.68 3if9 s ASP 318 Ca 0.08 0.00 0.22 0.00 -0.52 0.00 0.00 52.55 52.33 3if9 s ASP 318 Cb 0.16 1.15 1.04 0.00 -1.46 0.00 0.00 42.92 43.82 3if9 s ASP 318 CO 0.83 -0.32 1.72 -1.54 0.52 0.00 0.00 175.17 176.37 3if9 n SER 319 N 5.36 0.00 0.20 -0.34 3.41 -1.26 -1.63 113.62 119.36 3if9 n SER 319 Ca -0.02 0.21 0.14 0.00 -0.26 0.00 0.00 58.87 58.94 3if9 n SER 319 Cb 0.50 -0.38 0.50 0.00 -0.26 0.00 0.00 64.21 64.57 3if9 n SER 319 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3if9 h ARG 320 N 0.00 0.00 -5.15 4.33 3.08 -1.92 -3.45 114.38 111.28 3if9 h ARG 320 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 3if9 h ARG 320 Cb 0.28 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.08 3if9 h ARG 320 CO 0.00 0.00 -0.70 0.42 -1.07 0.00 0.00 179.97 178.62 3if9 s ILE 321 N -3.41 3.56 0.14 2.04 1.01 -0.65 -1.66 121.20 122.23 3if9 s ILE 321 Ca 0.04 -0.45 0.09 0.00 0.00 0.00 0.00 60.65 60.32 3if9 s ILE 321 Cb 0.09 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 3if9 s ILE 321 CO 0.53 0.46 -0.20 -0.76 0.00 0.00 0.00 174.94 174.97 3if9 s LEU 322 N 0.94 2.38 0.09 2.97 1.02 0.04 0.44 118.68 126.56 3if9 s LEU 322 Ca -0.00 -0.79 0.09 0.00 0.02 0.00 0.00 54.13 53.45 3if9 s LEU 322 Cb -0.15 -0.87 -0.03 0.00 0.02 0.00 0.00 46.19 45.16 3if9 s LEU 322 CO 0.01 0.01 -0.24 -0.36 0.02 0.00 0.00 176.35 175.79 3if9 s PHE 323 N -1.66 2.05 -0.45 0.29 0.40 0.66 -0.30 117.98 118.97 3if9 s PHE 323 Ca 0.12 -0.40 0.07 0.00 -0.60 0.00 0.00 56.93 56.12 3if9 s PHE 323 Cb -0.08 -1.15 0.23 0.00 0.51 0.00 0.00 43.02 42.53 3if9 s PHE 323 CO 0.06 0.22 0.69 0.00 0.70 0.00 0.00 175.22 176.89 3if9 n ALA 324 N 1.24 0.25 -3.09 5.36 0.00 -0.17 -1.06 120.51 123.04 3if9 n ALA 324 Ca -0.18 -2.20 -0.11 0.00 0.00 0.00 0.00 53.44 50.95 3if9 n ALA 324 Cb 0.53 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.76 3if9 n ALA 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3if9 s ALA 325 N 0.02 -0.31 0.00 0.00 0.00 -0.52 -4.54 121.76 116.40 3if9 s ALA 325 Ca 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.13 3if9 s ALA 325 Cb 0.16 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.40 3if9 s ALA 325 CO -0.17 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.78 3if9 n GLY 326 N 1.40 1.45 3.55 0.00 0.00 -1.26 -0.77 105.19 109.56 3if9 n GLY 326 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 3if9 n GLY 326 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3if9 s HIS 327 N -2.00 1.87 0.00 1.61 3.76 -1.26 -3.32 115.29 115.95 3if9 s HIS 327 Ca 0.00 0.49 0.00 0.00 -0.15 0.00 0.00 55.06 55.40 3if9 s HIS 327 Cb 0.00 -4.25 0.00 0.00 1.11 0.00 0.00 32.58 29.44 3if9 s HIS 327 CO 0.00 -2.18 0.16 0.34 -0.85 0.00 0.00 174.74 172.22 3if9 n PHE 328 N 11.88 0.00 -0.33 1.40 7.35 -1.26 -3.79 117.46 132.71 3if9 n PHE 328 Ca 0.19 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.98 3if9 n PHE 328 Cb 0.51 0.00 0.32 0.00 0.35 0.00 0.00 39.48 40.66 3if9 n PHE 328 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3if9 n ARG 329 N -0.21 2.97 -1.07 -4.13 1.74 -1.26 -4.43 116.66 110.27 3if9 n ARG 329 Ca 0.00 -2.61 0.01 0.00 -0.77 0.00 0.00 57.85 54.49 3if9 n ARG 329 Cb 0.00 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 3if9 n ARG 329 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3if9 n ASN 330 N 1.40 0.42 -0.08 0.55 0.23 -1.26 -4.89 115.26 111.64 3if9 n ASN 330 Ca 0.24 -1.94 0.05 0.00 -0.53 0.00 0.00 54.58 52.41 3if9 n ASN 330 Cb 0.69 -0.19 0.40 0.00 -2.08 0.00 0.00 39.78 38.59 3if9 n ASN 330 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3if9 h GLY 331 N 0.52 0.72 0.45 4.83 0.00 -1.79 -0.55 103.07 107.24 3if9 h GLY 331 Ca -0.17 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 3if9 h GLY 331 CO 0.02 0.22 -0.03 -2.22 0.00 0.00 0.00 176.54 174.53 3if9 h ILE 332 N 0.63 1.23 -0.54 2.60 1.08 -1.91 -2.45 117.51 118.15 3if9 h ILE 332 Ca 0.22 -1.19 0.09 0.00 -0.39 0.00 0.00 64.86 63.59 3if9 h ILE 332 Cb 0.10 1.99 -0.07 0.00 -3.07 0.00 0.00 36.82 35.77 3if9 h ILE 332 CO -0.06 0.29 0.13 0.25 -0.69 0.00 0.00 178.15 178.07 3if9 h LEU 333 N -0.64 0.04 -0.03 1.44 5.85 -1.74 -2.91 115.31 117.33 3if9 h LEU 333 Ca -0.01 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3if9 h LEU 333 Cb 0.54 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.69 3if9 h LEU 333 CO 0.01 0.05 -0.03 0.18 -0.34 0.00 0.00 178.44 178.31 3if9 n LEU 334 N -5.09 0.07 -0.10 2.25 4.77 -0.23 -4.27 117.00 114.40 3if9 n LEU 334 Ca 0.07 0.30 -0.09 0.00 -0.03 0.00 0.00 56.01 56.25 3if9 n LEU 334 Cb 0.26 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.01 3if9 n LEU 334 CO 0.20 0.01 0.99 0.00 -1.33 0.00 0.00 177.39 177.26 3if9 h ALA 335 N 3.33 0.41 -0.21 -1.18 0.00 -1.22 0.71 119.26 121.11 3if9 h ALA 335 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3if9 h ALA 335 Cb 0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3if9 h ALA 335 CO 0.00 -0.10 0.13 -1.35 0.00 0.00 0.00 179.25 177.94 3if9 h PRO 336 N 0.42 0.28 -0.44 0.00 0.11 -1.80 0.14 132.00 130.71 3if9 h PRO 336 Ca 0.12 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.14 3if9 h PRO 336 Cb -0.01 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 3if9 h PRO 336 CO -0.02 0.20 -0.02 0.00 -0.21 0.00 0.00 178.00 177.95 3if9 h ALA 337 N 1.06 1.15 -0.11 -0.75 0.00 -1.81 -1.31 119.26 117.49 3if9 h ALA 337 Ca 0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3if9 h ALA 337 Cb -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3if9 h ALA 337 CO -0.02 0.55 0.06 1.15 0.00 0.00 0.00 179.25 180.99 3if9 h THR 338 N 0.67 1.09 -0.23 0.00 2.02 -0.66 -0.12 112.91 115.68 3if9 h THR 338 Ca 0.13 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 67.11 3if9 h THR 338 Cb 0.44 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 3if9 h THR 338 CO 0.02 0.08 0.02 1.23 0.37 0.00 0.00 175.52 177.24 3if9 h GLY 339 N 0.09 0.24 1.17 2.16 0.00 -0.41 -1.82 103.07 104.50 3if9 h GLY 339 Ca 0.04 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 3if9 h GLY 339 CO -0.01 -0.03 0.24 0.00 0.00 0.00 0.00 176.54 176.74 3if9 h ALA 340 N 1.18 1.11 0.03 3.60 0.00 -1.14 -2.02 119.26 122.02 3if9 h ALA 340 Ca 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3if9 h ALA 340 Cb 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3if9 h ALA 340 CO -0.16 0.62 -0.02 1.25 0.00 0.00 0.00 179.25 180.94 3if9 h LEU 341 N 1.01 -0.04 -0.49 0.00 5.85 -0.69 -0.57 115.31 120.38 3if9 h LEU 341 Ca 0.23 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3if9 h LEU 341 Cb 0.26 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3if9 h LEU 341 CO -0.01 0.14 0.31 0.40 -0.34 0.00 0.00 178.44 178.93 3if9 h ILE 342 N -0.21 1.14 -0.09 4.05 1.08 -1.31 -0.43 117.51 121.74 3if9 h ILE 342 Ca -0.00 -0.30 -0.00 0.00 -0.39 0.00 0.00 64.86 64.16 3if9 h ILE 342 Cb 0.19 0.46 -0.00 0.00 -3.07 0.00 0.00 36.82 34.40 3if9 h ILE 342 CO 0.01 0.14 0.04 -1.28 -0.69 0.00 0.00 178.15 176.37 3if9 h SER 343 N 0.66 0.11 -0.48 1.72 0.87 -1.34 -1.82 113.55 113.28 3if9 h SER 343 Ca 0.18 -0.12 0.03 0.00 -1.23 0.00 0.00 61.79 60.66 3if9 h SER 343 Cb -0.03 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.86 3if9 h SER 343 CO -0.04 0.20 0.25 0.44 -0.53 0.00 0.00 176.83 177.16 3if9 h ASP 344 N 0.02 0.38 -0.51 6.23 3.32 -0.89 -1.01 116.42 123.96 3if9 h ASP 344 Ca 0.03 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.14 3if9 h ASP 344 Cb 0.11 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 3if9 h ASP 344 CO -0.00 0.27 0.28 -0.07 -1.72 0.00 0.00 179.24 177.99 3if9 h LEU 345 N 0.50 0.42 -0.66 1.55 3.38 -0.90 -1.32 115.31 118.28 3if9 h LEU 345 Ca 0.20 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 3if9 h LEU 345 Cb 0.09 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3if9 h LEU 345 CO -0.13 0.29 0.41 0.40 0.09 0.00 0.00 178.44 179.50 3if9 h ILE 346 N 0.54 1.19 0.00 1.22 2.04 -0.90 -1.79 117.51 119.81 3if9 h ILE 346 Ca 0.22 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3if9 h ILE 346 Cb 0.09 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 3if9 h ILE 346 CO -0.13 0.19 0.00 0.23 0.00 0.00 0.00 178.15 178.44 3if9 n MET 347 N -4.58 0.61 -1.85 2.37 2.81 -0.42 -4.88 117.12 111.18 3if9 n MET 347 Ca 0.05 0.02 -0.17 0.00 -1.81 0.00 0.00 57.70 55.80 3if9 n MET 347 Cb 0.05 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.01 3if9 n MET 347 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3if9 n ASN 348 N -1.10 -5.04 -4.81 7.83 3.02 -0.64 -5.01 115.26 109.51 3if9 n ASN 348 Ca 0.16 0.24 -0.30 0.00 -0.03 0.00 0.00 54.58 54.65 3if9 n ASN 348 Cb 0.12 -4.08 0.09 0.00 -0.61 0.00 0.00 39.78 35.30 3if9 n ASN 348 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3if9 s LYS 349 N -4.04 2.03 0.33 3.52 1.02 -0.59 -5.02 119.74 116.98 3if9 s LYS 349 Ca 0.00 0.55 -0.26 0.00 0.02 0.00 0.00 55.97 56.29 3if9 s LYS 349 Cb 0.00 -1.92 -0.10 0.00 -0.52 0.00 0.00 37.83 35.29 3if9 s LYS 349 CO 0.00 -1.64 0.95 -2.00 -0.92 0.00 0.00 175.35 171.74 3if9 s GLU 350 N -5.21 4.55 0.06 1.68 2.12 -1.26 -4.66 118.70 115.98 3if9 s GLU 350 Ca 0.61 1.33 0.00 0.00 0.36 0.00 0.00 54.97 57.28 3if9 s GLU 350 Cb -0.14 -2.76 -0.04 0.00 0.26 0.00 0.00 34.13 31.45 3if9 s GLU 350 CO 0.54 0.24 -0.05 0.14 -0.54 0.00 0.00 175.26 175.59 3if9 s VAL 351 N -1.64 0.40 -0.21 3.70 -7.23 -1.26 -5.01 120.40 109.15 3if9 s VAL 351 Ca 0.51 -1.64 -0.38 0.00 -1.81 0.00 0.00 61.98 58.66 3if9 s VAL 351 Cb -0.18 -1.29 -0.14 0.00 0.56 0.00 0.00 36.38 35.32 3if9 s VAL 351 CO 0.24 -0.82 1.79 -3.20 -0.31 0.00 0.00 175.10 172.80 3if9 n ASN 352 N 0.43 2.76 0.12 4.85 4.05 -1.26 -4.85 115.26 121.36 3if9 n ASN 352 Ca -0.16 1.04 0.12 0.00 0.45 0.00 0.00 54.58 56.03 3if9 n ASN 352 Cb 0.59 -1.22 0.17 0.00 1.23 0.00 0.00 39.78 40.55 3if9 n ASN 352 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 177.26 173.60 3if9 h GLN 353 N 7.88 0.00 -0.16 1.20 5.75 -1.99 -1.72 115.11 126.08 3if9 h GLN 353 Ca -0.47 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 57.93 3if9 h GLN 353 Cb 1.30 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.85 3if9 h GLN 353 CO 0.95 0.00 -0.28 -0.44 -2.65 0.00 0.00 178.83 176.41 3if9 h ASP 354 N 0.00 0.52 -0.44 -0.69 3.32 -1.99 -1.54 116.42 115.60 3if9 h ASP 354 Ca 0.00 -0.54 -0.06 0.00 0.02 0.00 0.00 57.03 56.45 3if9 h ASP 354 Cb 0.87 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 3if9 h ASP 354 CO 0.00 0.96 0.05 -0.50 -1.72 0.00 0.00 179.24 178.03 3if9 h TRP 355 N 0.10 0.81 -0.61 4.55 6.55 -1.90 0.25 115.95 125.70 3if9 h TRP 355 Ca 0.01 -0.12 0.06 0.00 0.95 0.00 0.00 58.89 59.78 3if9 h TRP 355 Cb 0.86 -0.22 -0.05 0.00 -0.86 0.00 0.00 29.16 28.89 3if9 h TRP 355 CO 0.09 0.78 0.32 1.25 -1.05 0.00 0.00 178.44 179.83 3if9 h LEU 356 N 0.61 0.46 -0.39 -4.49 5.85 -1.35 -2.33 115.31 113.67 3if9 h LEU 356 Ca 0.13 0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.73 3if9 h LEU 356 Cb 0.42 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3if9 h LEU 356 CO 0.01 0.30 -0.34 -0.74 -0.34 0.00 0.00 178.44 177.33 3if9 h HIS 357 N 0.60 1.09 -0.13 1.25 2.76 -0.97 -3.07 115.15 116.67 3if9 h HIS 357 Ca 0.27 -0.32 -0.08 0.00 -2.20 0.00 0.00 60.37 58.05 3if9 h HIS 357 Cb 0.18 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 3if9 h HIS 357 CO -0.09 1.14 -0.26 0.00 -1.30 0.00 0.00 177.93 177.41 3if9 h ALA 358 N 0.78 1.31 -0.44 5.26 0.00 -0.67 -3.13 119.26 122.37 3if9 h ALA 358 Ca 0.07 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3if9 h ALA 358 Cb 0.93 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3if9 h ALA 358 CO 0.09 0.47 0.04 1.19 0.00 0.00 0.00 179.25 181.04 3if9 n PHE 359 N -4.15 1.55 -1.60 0.00 0.99 -0.90 -4.93 117.46 108.42 3if9 n PHE 359 Ca -0.01 -0.94 -0.30 0.00 -0.00 0.00 0.00 57.45 56.20 3if9 n PHE 359 Cb 0.37 -0.45 0.07 0.00 -1.00 0.00 0.00 39.48 38.47 3if9 n PHE 359 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 3if9 s ARG 360 N -2.87 2.46 -0.03 -1.08 1.70 -1.16 0.10 118.95 118.07 3if9 s ARG 360 Ca 0.48 0.72 -0.21 0.00 -0.47 0.00 0.00 55.73 56.26 3if9 s ARG 360 Cb 0.39 -1.95 -0.32 0.00 -0.57 0.00 0.00 34.95 32.49 3if9 s ARG 360 CO 0.11 -1.38 0.93 0.82 -1.08 0.00 0.00 175.30 174.71 3if9 h ILE 361 N -0.91 1.46 -2.48 4.99 5.03 -1.90 -3.41 117.51 120.29 3if9 h ILE 361 Ca -0.46 -2.54 -0.64 0.00 -0.12 0.00 0.00 64.86 61.10 3if9 h ILE 361 Cb 1.25 3.13 -0.15 0.00 -3.03 0.00 0.00 36.82 38.02 3if9 h ILE 361 CO 0.59 0.73 0.69 1.51 -0.68 0.00 0.00 178.15 180.99 3if9 s ASP 362 N -7.09 6.32 0.07 1.72 -4.77 -1.26 -4.97 116.67 106.69 3if9 s ASP 362 Ca -0.13 -1.30 0.08 0.00 -3.30 0.00 0.00 52.55 47.91 3if9 s ASP 362 Cb 0.02 -2.43 -0.03 0.00 -1.09 0.00 0.00 42.92 39.39 3if9 s ASP 362 CO 0.86 -1.35 -0.22 -0.13 0.70 0.00 0.00 175.17 175.02 3if9 s ARG 363 N 3.78 1.37 0.00 2.11 0.52 -1.26 -5.18 118.95 120.30 3if9 s ARG 363 Ca 0.27 -1.08 0.00 0.00 -0.52 0.00 0.00 55.73 54.40 3if9 s ARG 363 Cb -0.12 -1.59 0.00 0.00 0.52 0.00 0.00 34.95 33.76 3if9 s ARG 363 CO 0.04 0.39 0.00 0.36 0.02 0.00 0.00 175.30 176.11