#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3if9 n LYS 2 N 0.00 -0.19 -0.10 2.12 5.02 -1.26 -5.07 118.16 118.67 3if9 n LYS 2 Ca 0.00 -1.04 -0.14 0.00 -2.02 0.00 0.00 58.31 55.11 3if9 n LYS 2 Cb 0.00 -0.47 -0.10 0.00 -0.02 0.00 0.00 35.03 34.45 3if9 n LYS 2 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3if9 n ARG 3 N -2.06 0.57 -4.02 1.97 1.74 -1.26 -4.85 116.66 108.74 3if9 n ARG 3 Ca 0.07 0.11 -0.20 0.00 -0.77 0.00 0.00 57.85 57.06 3if9 n ARG 3 Cb 0.26 -1.41 -0.17 0.00 -1.02 0.00 0.00 32.46 30.13 3if9 n ARG 3 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3if9 s HIS 4 N -2.40 0.66 -0.06 -1.55 5.04 -1.26 -1.54 115.29 114.17 3if9 s HIS 4 Ca -0.26 -0.17 0.02 0.00 -1.54 0.00 0.00 55.06 53.12 3if9 s HIS 4 Cb 0.07 -0.66 -0.03 0.00 0.04 0.00 0.00 32.58 32.01 3if9 s HIS 4 CO 0.48 -0.22 -0.12 0.71 -2.34 0.00 0.00 174.74 173.26 3if9 s TYR 5 N 1.20 2.79 0.13 3.88 1.51 -0.85 -4.96 117.35 121.05 3if9 s TYR 5 Ca -0.07 -0.14 -0.25 0.00 -1.01 0.00 0.00 57.07 55.61 3if9 s TYR 5 Cb -0.14 -1.68 -0.04 0.00 -0.11 0.00 0.00 41.96 40.00 3if9 s TYR 5 CO -0.02 0.20 1.64 0.93 -1.11 0.00 0.00 175.55 177.19 3if9 h GLU 6 N 5.45 -0.33 -6.69 -0.62 5.08 -1.62 -3.01 114.58 112.83 3if9 h GLU 6 Ca -0.45 0.02 -0.70 0.00 -1.00 0.00 0.00 59.36 57.23 3if9 h GLU 6 Cb 1.16 0.08 -0.28 0.00 0.50 0.00 0.00 28.75 30.21 3if9 h GLU 6 CO 0.52 -0.22 -0.88 0.00 -1.00 0.00 0.00 179.01 177.42 3if9 s ALA 7 N -6.08 2.23 -0.06 3.43 0.00 -1.00 -1.32 121.76 118.96 3if9 s ALA 7 Ca -0.15 -1.22 -0.02 0.00 0.00 0.00 0.00 51.96 50.57 3if9 s ALA 7 Cb 0.10 -0.50 0.03 0.00 0.00 0.00 0.00 23.12 22.74 3if9 s ALA 7 CO 0.66 0.53 0.02 0.08 0.00 0.00 0.00 175.76 177.06 3if9 s VAL 8 N -0.74 0.23 -0.23 0.00 1.01 0.50 -1.60 120.40 119.57 3if9 s VAL 8 Ca 0.11 0.21 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 3if9 s VAL 8 Cb -0.10 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 3if9 s VAL 8 CO 0.01 0.23 0.04 -0.69 0.00 0.00 0.00 175.10 174.69 3if9 s VAL 9 N 2.03 4.17 -0.63 2.92 1.01 0.46 -0.07 120.40 130.28 3if9 s VAL 9 Ca 0.05 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 61.63 3if9 s VAL 9 Cb -0.12 -2.92 0.13 0.00 0.00 0.00 0.00 36.38 33.47 3if9 s VAL 9 CO -0.05 0.38 0.67 -0.63 0.00 0.00 0.00 175.10 175.47 3if9 s ILE 10 N 1.32 5.07 0.00 2.22 1.01 0.73 -1.00 121.20 130.56 3if9 s ILE 10 Ca 0.05 -1.43 0.00 0.00 0.00 0.00 0.00 60.65 59.26 3if9 s ILE 10 Cb -0.15 -4.45 0.00 0.00 0.01 0.00 0.00 42.46 37.87 3if9 s ILE 10 CO 0.02 -1.05 0.00 0.61 0.00 0.00 0.00 174.94 174.53 3if9 n GLY 11 N 5.08 4.36 0.79 6.18 0.00 -0.72 -0.32 105.19 120.56 3if9 n GLY 11 Ca -0.06 -0.72 0.05 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.32 4.57 0.00 -0.02 0.00 -1.26 -4.23 105.19 103.93 3if9 n GLY 12 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.94 -2.09 0.22 -0.02 0.00 -1.26 -0.80 105.19 100.29 3if9 n GLY 13 Ca 0.24 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.63 1.32 0.55 -0.61 2.10 -1.94 -2.63 117.51 115.67 3if9 h ILE 14 Ca 0.00 -1.75 -0.03 0.00 1.08 0.00 0.00 64.86 64.16 3if9 h ILE 14 Cb 0.00 1.72 0.01 0.00 -1.09 0.00 0.00 36.82 37.46 3if9 h ILE 14 CO 0.00 0.55 -0.26 0.40 -1.08 0.00 0.00 178.15 177.75 3if9 h ILE 15 N 0.44 0.00 -1.01 2.19 1.08 -1.92 -1.68 117.51 116.61 3if9 h ILE 15 Ca 0.02 -0.13 0.26 0.00 -0.39 0.00 0.00 64.86 64.62 3if9 h ILE 15 Cb 1.06 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.68 3if9 h ILE 15 CO 0.10 0.00 0.60 1.23 -0.69 0.00 0.00 178.15 179.39 3if9 h GLY 16 N -0.86 1.89 0.73 5.37 0.00 -1.73 -1.08 103.07 107.39 3if9 h GLY 16 Ca -0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 3if9 h GLY 16 CO 0.12 -0.27 -0.00 1.76 0.00 0.00 0.00 176.54 178.15 3if9 h SER 17 N 0.54 0.14 -0.04 0.19 0.02 -1.37 0.25 113.55 113.29 3if9 h SER 17 Ca 0.65 -0.32 0.04 0.00 -0.84 0.00 0.00 61.79 61.32 3if9 h SER 17 Cb 1.29 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.75 3if9 h SER 17 CO -0.48 0.42 -0.27 0.00 -1.14 0.00 0.00 176.83 175.36 3if9 h ALA 18 N 0.72 -0.35 0.15 3.77 0.00 -0.57 0.25 119.26 123.23 3if9 h ALA 18 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3if9 h ALA 18 Cb 0.36 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 3if9 h ALA 18 CO 0.00 -0.77 -0.48 0.82 0.00 0.00 0.00 179.25 178.83 3if9 h ILE 19 N -0.39 0.07 -0.92 0.00 2.04 -1.11 0.75 117.51 117.93 3if9 h ILE 19 Ca 0.07 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.07 3if9 h ILE 19 Cb 0.50 0.07 -0.09 0.00 -0.74 0.00 0.00 36.82 36.56 3if9 h ILE 19 CO -0.26 0.00 0.54 0.00 0.00 0.00 0.00 178.15 178.43 3if9 h ALA 20 N -0.40 1.41 0.51 1.87 0.00 -0.73 -0.21 119.26 121.72 3if9 h ALA 20 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3if9 h ALA 20 Cb 0.74 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3if9 h ALA 20 CO -0.25 0.05 -0.28 -0.92 0.00 0.00 0.00 179.25 177.85 3if9 h TYR 21 N 0.80 -0.73 -0.26 0.00 3.20 0.34 -2.28 116.97 118.03 3if9 h TYR 21 Ca 0.49 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.33 3if9 h TYR 21 Cb 0.60 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 3if9 h TYR 21 CO -0.04 -0.44 0.09 1.88 -1.64 0.00 0.00 178.16 178.01 3if9 h TYR 22 N -0.74 0.36 -0.10 -3.82 -1.99 0.52 -1.12 116.97 110.08 3if9 h TYR 22 Ca -0.06 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.64 3if9 h TYR 22 Cb 0.59 -0.12 -0.00 0.00 2.00 0.00 0.00 36.73 39.20 3if9 h TYR 22 CO -0.07 0.30 0.00 -0.07 -0.00 0.00 0.00 178.16 178.33 3if9 h LEU 23 N 0.37 0.17 -1.21 3.88 3.38 -1.05 -2.07 115.31 118.78 3if9 h LEU 23 Ca 0.09 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 3if9 h LEU 23 Cb 0.10 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3if9 h LEU 23 CO -0.01 0.43 -0.09 0.00 0.09 0.00 0.00 178.44 178.87 3if9 h ALA 24 N 0.75 1.35 -0.20 1.53 0.00 -0.96 -1.91 119.26 119.81 3if9 h ALA 24 Ca 0.03 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3if9 h ALA 24 Cb 0.34 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3if9 h ALA 24 CO 0.00 0.44 0.08 -0.22 0.00 0.00 0.00 179.25 179.56 3if9 h LYS 25 N 0.42 0.18 -0.31 0.00 3.64 -1.15 -0.94 116.57 118.41 3if9 h LYS 25 Ca 0.08 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3if9 h LYS 25 Cb 0.41 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3if9 h LYS 25 CO 0.02 0.12 0.00 0.39 -2.27 0.00 0.00 179.45 177.71 3if9 n GLU 26 N -5.02 0.63 -0.41 1.90 -0.58 -0.78 -4.84 120.64 111.54 3if9 n GLU 26 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 3if9 n GLU 26 Cb 0.06 -1.15 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 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 -0.16 0.00 -4.65 1.62 5.03 -0.36 -4.95 115.26 111.79 3if9 n ASN 27 Ca 0.00 0.00 -0.46 0.00 0.87 0.00 0.00 54.58 54.99 3if9 n ASN 27 Cb 0.08 -1.79 -0.04 0.00 -1.02 0.00 0.00 39.78 37.01 3if9 n ASN 27 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3if9 n LYS 28 N -2.00 2.25 -2.20 3.52 4.76 -0.84 -4.89 118.16 118.76 3if9 n LYS 28 Ca 0.00 0.80 -0.43 0.00 -2.87 0.00 0.00 58.31 55.81 3if9 n LYS 28 Cb 0.00 -2.79 -0.02 0.00 -1.84 0.00 0.00 35.03 30.38 3if9 n LYS 28 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3if9 s ASN 29 N 4.88 6.66 0.08 4.39 2.47 -1.26 -3.84 114.94 128.33 3if9 s ASN 29 Ca 0.94 1.80 0.04 0.00 0.42 0.00 0.00 52.86 56.06 3if9 s ASN 29 Cb -0.60 -2.53 -0.03 0.00 -1.45 0.00 0.00 41.25 36.63 3if9 s ASN 29 CO 0.48 -0.99 -0.11 -0.89 -3.72 0.00 0.00 177.10 171.87 3if9 s THR 30 N 4.25 0.91 0.05 -5.21 2.01 -1.26 -1.68 115.64 114.71 3if9 s THR 30 Ca 0.66 -1.48 0.03 0.00 0.31 0.00 0.00 61.69 61.21 3if9 s THR 30 Cb -0.26 -1.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.05 3if9 s THR 30 CO 0.24 -0.46 -0.10 0.00 -0.69 0.00 0.00 174.62 173.61 3if9 s ALA 31 N -2.03 0.83 0.01 7.40 0.00 -0.62 -0.35 121.76 127.00 3if9 s ALA 31 Ca 0.01 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.22 3if9 s ALA 31 Cb -0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 3if9 s ALA 31 CO 0.01 0.08 -0.13 -1.17 0.00 0.00 0.00 175.76 174.55 3if9 s LEU 32 N -1.44 2.09 -0.17 0.00 0.20 -0.13 -0.41 118.68 118.82 3if9 s LEU 32 Ca -0.05 -0.33 -0.00 0.00 0.69 0.00 0.00 54.13 54.44 3if9 s LEU 32 Cb -0.09 -0.63 0.04 0.00 -0.43 0.00 0.00 46.19 45.08 3if9 s LEU 32 CO 0.01 0.10 -0.07 -0.36 -0.29 0.00 0.00 176.35 175.74 3if9 s PHE 33 N -0.54 1.93 -0.09 5.38 0.40 -0.17 -1.59 117.98 123.30 3if9 s PHE 33 Ca 0.03 -1.23 0.03 0.00 -0.60 0.00 0.00 56.93 55.16 3if9 s PHE 33 Cb -0.06 -1.42 0.01 0.00 0.51 0.00 0.00 43.02 42.05 3if9 s PHE 33 CO 0.00 -0.65 -0.20 -2.00 0.70 0.00 0.00 175.22 173.07 3if9 s GLU 34 N 1.56 2.61 0.09 0.44 2.56 -0.90 -1.75 118.70 123.31 3if9 s GLU 34 Ca 0.00 -0.72 -0.32 0.00 0.00 0.00 0.00 54.97 53.93 3if9 s GLU 34 Cb -0.15 -2.03 -0.14 0.00 2.00 0.00 0.00 34.13 33.81 3if9 s GLU 34 CO -0.08 0.10 1.60 0.77 -0.56 0.00 0.00 175.26 177.10 3if9 h SER 35 N 6.89 -1.03 0.00 -1.70 0.02 -1.87 0.31 113.55 116.16 3if9 h SER 35 Ca -0.24 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3if9 h SER 35 Cb 1.22 0.34 0.00 0.00 0.14 0.00 0.00 62.40 64.10 3if9 h SER 35 CO 0.48 -0.52 0.00 0.61 -1.14 0.00 0.00 176.83 176.26 3if9 n GLY 36 N -1.48 0.92 3.85 -3.77 0.00 -1.26 -2.77 105.19 100.68 3if9 n GLY 36 Ca -0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 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 3.24 4.89 0.18 2.61 -4.23 -1.26 -1.31 115.64 119.75 3if9 s THR 37 Ca 0.00 -0.77 -0.33 0.00 -1.18 0.00 0.00 61.69 59.41 3if9 s THR 37 Cb 0.00 -3.45 -0.15 0.00 1.34 0.00 0.00 72.50 70.24 3if9 s THR 37 CO 0.00 0.00 1.21 0.23 -0.54 0.00 0.00 174.62 175.52 3if9 n MET 38 N -0.08 1.29 -1.00 3.99 0.00 -1.26 -1.08 117.12 118.97 3if9 n MET 38 Ca -0.07 0.46 -0.05 0.00 0.00 0.00 0.00 57.70 58.04 3if9 n MET 38 Cb 0.53 -1.99 -0.02 0.00 0.00 0.00 0.00 33.22 31.74 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 2.08 0.43 0.11 3.03 0.00 0.02 -4.82 105.19 106.04 3if9 n GLY 39 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 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 0.52 -1.15 0.00 -0.02 0.00 -0.24 -2.58 105.19 101.71 3if9 n GLY 40 Ca -0.05 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.11 0.00 -0.29 1.61 5.12 -1.26 -4.78 116.66 114.94 3if9 n ARG 41 Ca 0.02 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.08 3if9 n ARG 41 Cb 0.18 0.00 0.39 0.00 -1.16 0.00 0.00 32.46 31.88 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 0.75 -0.81 0.55 2.02 -1.85 -1.88 112.91 111.68 3if9 h THR 42 Ca 0.00 -0.22 0.15 0.00 0.77 0.00 0.00 66.41 67.11 3if9 h THR 42 Cb 0.00 0.05 -0.10 0.00 -1.74 0.00 0.00 68.15 66.36 3if9 h THR 42 CO 0.00 0.12 0.37 0.74 0.37 0.00 0.00 175.52 177.12 3if9 h THR 43 N 0.64 0.67 0.00 3.16 2.02 -1.92 -1.56 112.91 115.92 3if9 h THR 43 Ca 0.50 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.50 3if9 h THR 43 Cb 0.91 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3if9 h THR 43 CO -0.25 0.09 0.00 0.28 0.37 0.00 0.00 175.52 176.01 3if9 h SER 44 N 0.52 0.00 0.73 4.18 0.02 -1.07 -2.89 113.55 115.04 3if9 h SER 44 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 3if9 h SER 44 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 3if9 h SER 44 CO -0.40 0.00 -0.58 0.00 -1.14 0.00 0.00 176.83 174.71 3if9 n ALA 45 N -1.84 3.12 -1.77 3.77 0.00 -0.60 -4.87 120.51 118.32 3if9 n ALA 45 Ca 0.03 -0.28 -0.38 0.00 0.00 0.00 0.00 53.44 52.81 3if9 n ALA 45 Cb 0.34 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 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 -3.11 3.20 0.14 0.00 0.00 -1.09 -4.88 121.76 116.02 3if9 s ALA 46 Ca 0.08 0.95 -0.13 0.00 0.00 0.00 0.00 51.96 52.86 3if9 s ALA 46 Cb 0.15 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.90 3if9 s ALA 46 CO 0.71 -0.47 1.58 0.00 0.00 0.00 0.00 175.76 177.59 3if9 h ALA 47 N 2.81 0.62 0.00 0.00 0.00 -1.92 -3.42 119.26 117.34 3if9 h ALA 47 Ca -0.48 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3if9 h ALA 47 Cb 1.23 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3if9 h ALA 47 CO 0.63 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.73 3if9 n GLY 48 N -0.35 1.07 3.75 0.00 0.00 -1.26 -4.74 105.19 103.66 3if9 n GLY 48 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.74 4.27 -0.99 1.61 -1.94 -1.26 -1.00 119.30 119.25 3if9 s MET 49 Ca 0.00 2.30 -0.00 0.00 -1.71 0.00 0.00 55.69 56.28 3if9 s MET 49 Cb 0.00 -3.10 0.32 0.00 2.01 0.00 0.00 34.83 34.07 3if9 s MET 49 CO 0.00 -0.39 1.75 1.28 -0.01 0.00 0.00 175.02 177.65 3if9 n LEU 50 N 1.97 7.10 -4.29 -0.03 4.77 0.71 -4.32 117.00 122.90 3if9 n LEU 50 Ca 0.05 -5.42 -0.45 0.00 -0.03 0.00 0.00 56.01 50.17 3if9 n LEU 50 Cb 0.40 -1.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.35 3if9 n LEU 50 CO 0.60 2.07 0.46 -0.94 -1.33 0.00 0.00 177.39 178.26 3if9 s SER 51 N -1.54 6.67 0.01 -1.43 1.04 -1.26 -4.27 113.70 112.91 3if9 s SER 51 Ca 0.40 -2.99 -0.25 0.00 0.48 0.00 0.00 55.95 53.59 3if9 s SER 51 Cb 0.20 -2.15 -0.15 0.00 0.10 0.00 0.00 66.02 64.02 3if9 s SER 51 CO -0.13 -0.46 1.10 0.00 0.98 0.00 0.00 173.24 174.74 3if9 h ALA 52 N 7.32 -0.78 -1.92 5.32 0.00 -1.92 -3.51 119.26 123.76 3if9 h ALA 52 Ca 0.11 -0.20 -0.62 0.00 0.00 0.00 0.00 54.91 54.21 3if9 h ALA 52 Cb 0.98 0.30 0.01 0.00 0.00 0.00 0.00 17.79 19.08 3if9 h ALA 52 CO 0.81 -0.77 1.16 0.72 0.00 0.00 0.00 179.25 181.17 3if9 n HIS 53 N -5.32 2.23 -1.41 0.00 8.25 -1.26 -5.03 115.22 112.68 3if9 n HIS 53 Ca -0.11 0.02 0.17 0.00 -0.26 0.00 0.00 57.72 57.55 3if9 n HIS 53 Cb 0.33 -2.65 -0.09 0.00 1.12 0.00 0.00 29.99 28.70 3if9 n HIS 53 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3if9 n GLU 57 N 6.95 -3.26 -0.77 -0.41 1.02 -1.26 -5.17 120.64 117.74 3if9 n GLU 57 Ca 0.25 2.65 -0.29 0.00 -0.02 0.00 0.00 57.16 59.75 3if9 n GLU 57 Cb 0.29 -3.82 0.26 0.00 -0.02 0.00 0.00 31.44 28.16 3if9 n GLU 57 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3if9 n GLU 58 N -4.30 -3.64 -2.57 3.49 4.71 -1.26 -4.93 120.64 112.14 3if9 n GLU 58 Ca -0.09 -1.63 -0.42 0.00 -0.01 0.00 0.00 57.16 55.02 3if9 n GLU 58 Cb 0.67 -1.68 0.01 0.00 -1.01 0.00 0.00 31.44 29.43 3if9 n GLU 58 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3if9 n ARG 59 N -5.07 4.55 -1.01 3.49 5.12 -1.26 -4.69 116.66 117.79 3if9 n ARG 59 Ca 0.14 -4.15 0.00 0.00 -1.93 0.00 0.00 57.85 51.92 3if9 n ARG 59 Cb 0.58 -2.62 0.00 0.00 -1.16 0.00 0.00 32.46 29.26 3if9 n ARG 59 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 3if9 n ASP 60 N 1.62 1.04 -0.20 0.55 5.75 -1.26 -4.98 116.55 119.07 3if9 n ASP 60 Ca 0.41 -0.66 -0.09 0.00 -0.01 0.00 0.00 54.79 54.44 3if9 n ASP 60 Cb 0.30 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.41 3if9 n ASP 60 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3if9 h ALA 61 N 0.52 0.74 -0.24 2.12 0.00 -1.94 -2.35 119.26 118.11 3if9 h ALA 61 Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.70 3if9 h ALA 61 Cb 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3if9 h ALA 61 CO 0.00 0.49 -0.01 0.35 0.00 0.00 0.00 179.25 180.09 3if9 h PHE 62 N 0.82 -0.02 -0.74 0.00 3.57 -1.95 0.41 116.94 119.02 3if9 h PHE 62 Ca 0.17 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.70 3if9 h PHE 62 Cb 0.42 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 3if9 h PHE 62 CO 0.03 -0.04 0.49 0.35 -2.23 0.00 0.00 178.31 176.91 3if9 h PHE 63 N 0.07 0.94 -0.14 0.41 3.57 -1.81 0.07 116.94 120.04 3if9 h PHE 63 Ca 0.11 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 3if9 h PHE 63 Cb 0.15 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 3if9 h PHE 63 CO -0.20 0.59 -0.18 -0.44 -2.23 0.00 0.00 178.31 175.85 3if9 h ASP 64 N 1.01 0.40 -0.59 0.41 3.32 -0.80 -0.80 116.42 119.37 3if9 h ASP 64 Ca 0.27 -0.51 0.07 0.00 0.02 0.00 0.00 57.03 56.88 3if9 h ASP 64 Cb -0.12 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.26 3if9 h ASP 64 CO -0.06 0.83 0.27 0.15 -1.72 0.00 0.00 179.24 178.71 3if9 h PHE 65 N -0.02 0.49 -0.38 4.55 3.57 -0.75 -0.53 116.94 123.87 3if9 h PHE 65 Ca 0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3if9 h PHE 65 Cb 0.73 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3if9 h PHE 65 CO 0.09 0.19 0.11 0.00 -2.23 0.00 0.00 178.31 176.48 3if9 h ALA 66 N 1.35 1.49 -0.12 2.41 0.00 -0.81 -1.34 119.26 122.24 3if9 h ALA 66 Ca 0.28 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.84 3if9 h ALA 66 Cb 0.25 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3if9 h ALA 66 CO -0.23 0.38 -0.79 0.52 0.00 0.00 0.00 179.25 179.13 3if9 h MET 67 N 0.54 0.68 -0.65 0.00 2.86 -0.54 -2.03 114.93 115.80 3if9 h MET 67 Ca 0.13 -0.57 -0.07 0.00 -2.06 0.00 0.00 59.70 57.13 3if9 h MET 67 Cb 0.17 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 3if9 h MET 67 CO -0.01 1.18 0.12 1.25 1.06 0.00 0.00 176.91 180.52 3if9 h HIS 68 N 0.46 1.10 -0.55 -0.22 6.17 -0.91 -2.04 115.15 119.17 3if9 h HIS 68 Ca -0.05 -0.14 -0.09 0.00 0.71 0.00 0.00 60.37 60.80 3if9 h HIS 68 Cb 1.41 -0.31 -0.02 0.00 2.52 0.00 0.00 27.41 31.01 3if9 h HIS 68 CO 0.08 0.92 -0.02 1.03 0.71 0.00 0.00 177.93 180.65 3if9 h SER 69 N 0.99 0.97 -0.48 3.26 0.87 -1.25 -1.57 113.55 116.33 3if9 h SER 69 Ca 0.20 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 3if9 h SER 69 Cb 0.40 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 3if9 h SER 69 CO 0.01 1.05 0.26 -0.61 -0.53 0.00 0.00 176.83 177.00 3if9 h GLN 70 N 0.86 0.70 0.00 2.24 4.15 -1.10 -1.98 115.11 119.98 3if9 h GLN 70 Ca 0.15 -0.08 -0.18 0.00 0.77 0.00 0.00 58.65 59.32 3if9 h GLN 70 Cb 0.56 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 3if9 h GLN 70 CO 0.03 0.54 -0.86 0.00 -1.93 0.00 0.00 178.83 176.61 3if9 h ARG 71 N 0.71 0.00 0.00 1.69 3.08 -1.18 -3.20 114.38 115.48 3if9 h ARG 71 Ca 0.18 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 3if9 h ARG 71 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 3if9 h ARG 71 CO -0.03 0.86 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.51 3if9 h LEU 72 N 0.00 0.00 -2.02 3.04 3.38 -0.56 -1.86 115.31 117.29 3if9 h LEU 72 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3if9 h LEU 72 Cb 1.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.34 3if9 h LEU 72 CO 0.11 0.15 -0.06 1.88 0.09 0.00 0.00 178.44 180.61 3if9 h TYR 73 N 0.00 0.00 0.00 1.13 -1.99 -1.43 -3.34 116.97 111.35 3if9 h TYR 73 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3if9 h TYR 73 Cb 0.34 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.07 3if9 h TYR 73 CO 0.00 0.06 0.00 1.17 -0.00 0.00 0.00 178.16 179.39 3if9 n LYS 74 N -3.35 0.00 0.08 4.88 3.00 -0.70 -2.32 118.16 119.75 3if9 n LYS 74 Ca -0.01 0.90 0.12 0.00 -0.00 0.00 0.00 58.31 59.32 3if9 n LYS 74 Cb 0.22 -1.43 0.27 0.00 0.00 0.00 0.00 35.03 34.09 3if9 n LYS 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3if9 n GLY 75 N -1.00 -1.54 0.31 3.14 0.00 -1.26 -4.48 105.19 100.36 3if9 n GLY 75 Ca 0.00 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -0.16 -0.36 0.99 7.12 -1.57 -0.87 115.31 120.46 3if9 h LEU 76 Ca 0.00 0.22 0.05 0.00 0.13 0.00 0.00 57.88 58.28 3if9 h LEU 76 Cb 0.74 0.34 -0.04 0.00 -0.53 0.00 0.00 40.66 41.16 3if9 h LEU 76 CO 0.00 -0.23 0.10 1.23 -0.13 0.00 0.00 178.44 179.41 3if9 h GLY 77 N 0.13 0.44 0.88 3.75 0.00 -1.79 -1.56 103.07 104.92 3if9 h GLY 77 Ca 0.56 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.80 3if9 h GLY 77 CO -0.73 0.00 0.02 0.83 0.00 0.00 0.00 176.54 176.66 3if9 h GLU 78 N 0.23 0.50 -0.23 4.80 5.08 -1.50 -2.75 114.58 120.72 3if9 h GLU 78 Ca 0.17 -0.15 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 3if9 h GLU 78 Cb 0.17 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 3if9 h GLU 78 CO -0.19 0.63 -0.08 1.49 -1.00 0.00 0.00 179.01 179.86 3if9 h GLU 79 N 0.31 -0.03 -0.07 2.33 4.81 -1.17 -2.40 114.58 118.36 3if9 h GLU 79 Ca 0.09 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.14 3if9 h GLU 79 Cb 0.38 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3if9 h GLU 79 CO 0.01 -0.02 -0.71 -0.07 -0.73 0.00 0.00 179.01 177.49 3if9 h LEU 80 N -0.03 0.43 -1.22 1.64 3.38 -1.32 -3.06 115.31 115.12 3if9 h LEU 80 Ca 0.12 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 3if9 h LEU 80 Cb 0.20 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3if9 h LEU 80 CO -0.25 1.00 -0.11 0.22 0.09 0.00 0.00 178.44 179.39 3if9 h TYR 81 N 0.25 0.43 0.00 1.13 3.20 -1.35 0.30 116.97 120.92 3if9 h TYR 81 Ca -0.03 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3if9 h TYR 81 Cb 1.27 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.42 3if9 h TYR 81 CO 0.04 0.51 0.00 0.00 -1.64 0.00 0.00 178.16 177.07 3if9 n ALA 82 N -2.48 1.75 0.00 1.82 0.00 -0.91 -1.97 120.51 118.72 3if9 n ALA 82 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3if9 n ALA 82 Cb 0.29 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3if9 n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3if9 n LEU 83 N -1.22 0.00 -0.02 0.00 4.77 -0.93 -4.91 117.00 114.69 3if9 n LEU 83 Ca 0.06 -0.04 -0.02 0.00 -0.03 0.00 0.00 56.01 55.99 3if9 n LEU 83 Cb 0.08 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 3if9 n LEU 83 CO 0.08 0.00 -0.66 -1.54 -1.33 0.00 0.00 177.39 173.94 3if9 n SER 84 N -0.50 3.63 0.00 -1.43 3.41 0.05 -4.57 113.62 114.21 3if9 n SER 84 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3if9 n SER 84 Cb 0.00 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 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 2.56 0.37 3.56 5.00 0.00 -0.83 -4.94 105.19 110.91 3if9 n GLY 85 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.79 4.73 0.05 1.61 1.01 -1.26 -5.04 120.40 119.71 3if9 s VAL 86 Ca 0.00 -0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.69 3if9 s VAL 86 Cb 0.00 -3.19 -0.06 0.00 0.00 0.00 0.00 36.38 33.13 3if9 s VAL 86 CO 0.00 0.37 0.78 -0.62 0.00 0.00 0.00 175.10 175.63 3if9 s ASP 87 N 1.13 7.24 0.00 3.32 2.15 -1.26 -4.16 116.67 125.09 3if9 s ASP 87 Ca 0.05 1.48 0.28 0.00 0.43 0.00 0.00 52.55 54.79 3if9 s ASP 87 Cb -0.14 -2.48 1.09 0.00 -0.30 0.00 0.00 42.92 41.09 3if9 s ASP 87 CO 0.04 0.01 1.77 2.30 -0.17 0.00 0.00 175.17 179.12 3if9 n ILE 88 N 2.77 0.00 -3.25 4.11 -5.35 -1.26 -4.81 119.36 111.57 3if9 n ILE 88 Ca -0.02 -0.16 -0.10 0.00 -0.27 0.00 0.00 62.75 62.20 3if9 n ILE 88 Cb 0.50 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.67 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 -0.37 -1.55 -3.44 6.28 1.74 -1.26 -1.73 116.66 116.33 3if9 n ARG 89 Ca 0.17 1.38 -0.37 0.00 -0.77 0.00 0.00 57.85 58.26 3if9 n ARG 89 Cb 0.31 -4.64 -0.06 0.00 -1.02 0.00 0.00 32.46 27.05 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 -3.42 4.18 -0.14 5.56 0.74 -1.26 -3.35 119.66 121.98 3if9 s GLN 90 Ca 0.05 0.32 0.02 0.00 0.05 0.00 0.00 55.36 55.81 3if9 s GLN 90 Cb -0.01 -3.37 0.01 0.00 1.10 0.00 0.00 33.01 30.74 3if9 s GLN 90 CO 0.80 0.34 -0.19 -1.58 -0.55 0.00 0.00 175.29 174.11 3if9 s HIS 91 N 0.07 2.42 -0.37 1.67 5.65 0.42 -5.01 115.29 120.14 3if9 s HIS 91 Ca 0.22 -1.24 0.06 0.00 0.25 0.00 0.00 55.06 54.36 3if9 s HIS 91 Cb -0.15 -1.69 0.60 0.00 -1.18 0.00 0.00 32.58 30.17 3if9 s HIS 91 CO 0.09 -0.60 1.72 0.09 -0.65 0.00 0.00 174.74 175.39 3if9 n ASN 92 N 4.23 3.27 0.20 9.88 3.02 -1.26 -2.21 115.26 132.40 3if9 n ASN 92 Ca -0.19 -3.66 0.04 0.00 -0.03 0.00 0.00 54.58 50.74 3if9 n ASN 92 Cb 0.51 -0.75 0.43 0.00 -0.61 0.00 0.00 39.78 39.36 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 1.10 0.00 0.00 7.41 0.00 -1.91 -3.50 103.07 106.18 3if9 h GLY 93 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 3if9 h GLY 93 CO 0.78 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.93 3if9 n GLY 94 N -0.62 -0.71 3.31 4.60 0.00 -1.26 -4.57 105.19 105.94 3if9 n GLY 94 Ca -0.02 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.70 1.89 -0.36 1.61 1.75 -0.83 -1.52 119.30 120.15 3if9 s MET 95 Ca 0.00 -0.98 -0.07 0.00 -1.25 0.00 0.00 55.69 53.39 3if9 s MET 95 Cb 0.00 -1.93 0.05 0.00 2.84 0.00 0.00 34.83 35.79 3if9 s MET 95 CO 0.00 0.52 0.15 -0.06 -0.65 0.00 0.00 175.02 174.97 3if9 s PHE 96 N -0.68 3.28 -0.70 4.11 2.99 0.31 -1.15 117.98 126.14 3if9 s PHE 96 Ca 0.10 -1.41 -0.25 0.00 0.00 0.00 0.00 56.93 55.37 3if9 s PHE 96 Cb -0.10 -2.43 0.05 0.00 0.00 0.00 0.00 43.02 40.53 3if9 s PHE 96 CO 0.00 -0.75 1.14 0.15 -0.00 0.00 0.00 175.22 175.77 3if9 s LYS 97 N 1.42 3.17 0.46 0.44 1.02 -0.91 -1.03 119.74 124.31 3if9 s LYS 97 Ca -0.00 -0.46 -0.23 0.00 0.02 0.00 0.00 55.97 55.30 3if9 s LYS 97 Cb -0.20 -4.19 -0.07 0.00 -0.52 0.00 0.00 37.83 32.85 3if9 s LYS 97 CO 0.03 -1.99 1.18 -0.51 -0.92 0.00 0.00 175.35 173.14 3if9 s LEU 98 N 5.01 4.01 -0.08 3.17 1.43 0.17 -2.73 118.68 129.66 3if9 s LEU 98 Ca 0.30 2.35 0.00 0.00 -1.03 0.00 0.00 54.13 55.75 3if9 s LEU 98 Cb -0.12 -4.23 -0.03 0.00 0.03 0.00 0.00 46.19 41.84 3if9 s LEU 98 CO 0.13 -0.96 -0.07 0.00 0.23 0.00 0.00 176.35 175.68 3if9 s ALA 99 N -1.52 2.94 -0.00 4.21 0.00 0.14 -4.76 121.76 122.78 3if9 s ALA 99 Ca 0.64 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.71 3if9 s ALA 99 Cb -0.30 -1.24 -0.00 0.00 0.00 0.00 0.00 23.12 21.58 3if9 s ALA 99 CO 0.36 0.52 0.00 1.19 0.00 0.00 0.00 175.76 177.83 3if9 n PHE 100 N 2.44 0.00 -4.21 0.00 3.01 -1.26 -0.50 117.46 116.94 3if9 n PHE 100 Ca -0.18 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.01 3if9 n PHE 100 Cb 0.53 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.94 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 -2.82 4.41 0.27 4.37 1.04 -1.26 -4.65 113.70 115.06 3if9 s SER 101 Ca -0.00 -1.28 0.10 0.00 0.48 0.00 0.00 55.95 55.25 3if9 s SER 101 Cb 0.00 0.08 0.35 0.00 0.10 0.00 0.00 66.02 66.55 3if9 s SER 101 CO 0.00 -0.81 1.61 -0.08 0.98 0.00 0.00 173.24 174.94 3if9 h GLU 102 N 1.18 0.01 -0.93 4.02 4.57 -2.00 -3.03 114.58 118.40 3if9 h GLU 102 Ca -0.41 -0.00 0.04 0.00 -1.18 0.00 0.00 59.36 57.80 3if9 h GLU 102 Cb 1.29 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.82 3if9 h GLU 102 CO 0.67 0.62 0.60 1.49 -1.18 0.00 0.00 179.01 181.22 3if9 h GLU 103 N 0.00 1.13 -0.62 1.92 4.81 -2.01 -2.88 114.58 116.93 3if9 h GLU 103 Ca -0.01 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3if9 h GLU 103 Cb 1.10 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 30.19 3if9 h GLU 103 CO 0.08 0.74 0.39 -0.44 -0.73 0.00 0.00 179.01 179.06 3if9 h ASP 104 N 1.16 0.65 0.05 1.04 3.32 -1.92 -2.81 116.42 117.90 3if9 h ASP 104 Ca 0.37 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.44 3if9 h ASP 104 Cb 0.02 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3if9 h ASP 104 CO -0.13 0.46 -0.15 0.58 -1.72 0.00 0.00 179.24 178.28 3if9 h VAL 105 N 0.78 0.65 -0.34 -1.35 2.07 -1.46 -2.50 116.25 114.11 3if9 h VAL 105 Ca 0.25 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.84 3if9 h VAL 105 Cb -0.01 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 30.34 3if9 h VAL 105 CO -0.09 0.00 -0.17 -0.07 0.02 0.00 0.00 177.57 177.26 3if9 h LEU 106 N -0.27 -0.56 -0.37 2.57 3.38 -1.33 -1.01 115.31 117.72 3if9 h LEU 106 Ca 0.03 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.19 3if9 h LEU 106 Cb 0.31 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 3if9 h LEU 106 CO -0.11 -0.20 0.08 1.56 0.09 0.00 0.00 178.44 179.86 3if9 h GLN 107 N -0.11 0.20 0.00 1.13 4.20 -1.39 -3.03 115.11 116.10 3if9 h GLN 107 Ca 0.17 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.77 3if9 h GLN 107 Cb 0.38 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3if9 h GLN 107 CO -0.41 0.13 -0.50 -0.07 -0.67 0.00 0.00 178.83 177.31 3if9 h LEU 108 N 0.20 0.00 -0.22 1.46 3.38 -0.92 -3.14 115.31 116.07 3if9 h LEU 108 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3if9 h LEU 108 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3if9 h LEU 108 CO -0.23 0.50 0.00 0.03 0.09 0.00 0.00 178.44 178.83 3if9 h ARG 109 N 0.00 0.00 0.00 1.13 3.08 -1.09 -2.85 114.38 114.65 3if9 h ARG 109 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3if9 h ARG 109 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3if9 h ARG 109 CO 0.06 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 180.00 3if9 n GLN 110 N -2.43 0.10 0.02 0.04 6.02 -1.19 -1.67 117.38 118.28 3if9 n GLN 110 Ca 0.04 0.22 0.11 0.00 -0.01 0.00 0.00 57.00 57.36 3if9 n GLN 110 Cb 0.40 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.21 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 -1.39 0.24 -0.33 -1.09 2.81 -1.08 -4.52 117.12 111.75 3if9 n MET 111 Ca 0.05 0.01 0.21 0.00 -1.81 0.00 0.00 57.70 56.15 3if9 n MET 111 Cb 0.13 -1.58 0.42 0.00 -0.71 0.00 0.00 33.22 31.48 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 0.00 0.50 -0.04 7.83 5.19 -1.47 -1.31 116.42 127.12 3if9 h ASP 112 Ca 0.00 0.18 0.01 0.00 -0.62 0.00 0.00 57.03 56.60 3if9 h ASP 112 Cb 0.69 0.12 -0.00 0.00 0.18 0.00 0.00 39.33 40.32 3if9 h ASP 112 CO 0.00 -0.07 0.05 -2.24 -3.12 0.00 0.00 179.24 173.86 3if9 h ASP 113 N 0.38 0.00 -4.08 6.45 2.03 -1.80 -3.43 116.42 115.97 3if9 h ASP 113 Ca 0.68 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 56.47 3if9 h ASP 113 Cb 1.47 0.00 0.09 0.00 -0.83 0.00 0.00 39.33 40.06 3if9 h ASP 113 CO -0.57 0.00 0.46 -0.76 -1.03 0.00 0.00 179.24 177.33 3if9 s LEU 114 N -7.33 3.74 0.03 0.15 1.43 -0.50 -4.98 118.68 111.22 3if9 s LEU 114 Ca -0.05 2.29 -0.26 0.00 -1.03 0.00 0.00 54.13 55.08 3if9 s LEU 114 Cb 0.15 -4.56 -0.17 0.00 0.03 0.00 0.00 46.19 41.64 3if9 s LEU 114 CO 0.51 -1.37 1.41 0.44 0.23 0.00 0.00 176.35 177.58 3if9 h ASP 115 N 1.14 -0.35 0.94 2.29 3.32 -1.88 -3.16 116.42 118.73 3if9 h ASP 115 Ca -0.50 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.42 3if9 h ASP 115 Cb 1.28 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.92 3if9 h ASP 115 CO 0.56 -0.07 0.00 -1.54 -1.72 0.00 0.00 179.24 176.47 3if9 n SER 116 N -5.17 0.52 -4.82 6.45 3.41 -1.26 -4.76 113.62 107.99 3if9 n SER 116 Ca -0.10 0.59 -0.37 0.00 -0.26 0.00 0.00 58.87 58.73 3if9 n SER 116 Cb 0.24 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.41 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 -3.16 5.23 0.08 -3.33 1.01 -1.20 -3.63 120.40 115.40 3if9 s VAL 117 Ca 0.08 0.60 -0.09 0.00 0.00 0.00 0.00 61.98 62.57 3if9 s VAL 117 Cb 0.11 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.88 3if9 s VAL 117 CO 0.45 0.54 0.21 -0.94 0.00 0.00 0.00 175.10 175.35 3if9 s SER 118 N -0.63 0.09 -0.07 3.32 1.04 -1.22 -4.72 113.70 111.50 3if9 s SER 118 Ca 0.20 -0.59 -0.09 0.00 0.48 0.00 0.00 55.95 55.94 3if9 s SER 118 Cb -0.14 0.34 -0.05 0.00 0.10 0.00 0.00 66.02 66.27 3if9 s SER 118 CO 0.08 -0.72 0.24 0.86 0.98 0.00 0.00 173.24 174.68 3if9 s TRP 119 N -3.71 3.64 -0.13 5.02 -0.11 -1.26 -1.18 118.94 121.21 3if9 s TRP 119 Ca 0.04 0.68 0.02 0.00 1.22 0.00 0.00 56.10 58.06 3if9 s TRP 119 Cb 0.04 -2.05 0.00 0.00 -1.50 0.00 0.00 33.47 29.96 3if9 s TRP 119 CO -0.10 0.70 -0.21 0.71 -4.62 0.00 0.00 176.95 173.43 3if9 s TYR 120 N -1.07 2.66 0.86 5.86 1.51 -0.23 -4.93 117.35 122.00 3if9 s TYR 120 Ca 0.19 -1.18 -0.10 0.00 -1.01 0.00 0.00 57.07 54.96 3if9 s TYR 120 Cb -0.14 -1.80 0.11 0.00 -0.11 0.00 0.00 41.96 40.03 3if9 s TYR 120 CO 0.08 -0.52 1.12 -1.54 -1.11 0.00 0.00 175.55 173.58 3if9 s SER 121 N 0.65 3.59 0.17 2.29 1.04 -1.26 -1.91 113.70 118.26 3if9 s SER 121 Ca -0.10 1.98 -0.25 0.00 0.48 0.00 0.00 55.95 58.06 3if9 s SER 121 Cb -0.16 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.45 3if9 s SER 121 CO 0.02 -2.65 1.42 1.17 0.98 0.00 0.00 173.24 174.18 3if9 n LYS 122 N -3.93 -0.35 0.27 4.02 4.81 -1.25 -1.07 118.16 120.66 3if9 n LYS 122 Ca 0.10 1.40 0.16 0.00 -0.87 0.00 0.00 58.31 59.10 3if9 n LYS 122 Cb 0.53 -2.06 0.65 0.00 0.02 0.00 0.00 35.03 34.16 3if9 n LYS 122 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 3if9 h GLU 123 N 0.00 0.00 -0.12 1.64 9.09 -1.94 -1.96 114.58 121.29 3if9 h GLU 123 Ca 0.20 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.44 3if9 h GLU 123 Cb 0.43 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.54 3if9 h GLU 123 CO -0.88 0.05 -0.57 0.93 0.05 0.00 0.00 179.01 178.59 3if9 h GLU 124 N 0.00 0.59 -0.19 1.06 5.08 -1.44 -2.32 114.58 117.36 3if9 h GLU 124 Ca -0.00 -0.48 0.03 0.00 -1.00 0.00 0.00 59.36 57.90 3if9 h GLU 124 Cb 0.55 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3if9 h GLU 124 CO 0.01 1.11 0.03 0.28 -1.00 0.00 0.00 179.01 179.43 3if9 h VAL 125 N 0.23 0.91 0.00 3.13 2.07 -0.99 -2.87 116.25 118.73 3if9 h VAL 125 Ca -0.04 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3if9 h VAL 125 Cb 1.21 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 3if9 h VAL 125 CO 0.12 0.02 -0.08 -0.07 0.02 0.00 0.00 177.57 177.58 3if9 h LEU 126 N 0.11 0.00 0.00 2.57 3.38 -1.37 0.34 115.31 120.34 3if9 h LEU 126 Ca 0.09 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3if9 h LEU 126 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3if9 h LEU 126 CO -0.12 0.08 -0.42 -0.08 0.09 0.00 0.00 178.44 177.98 3if9 h GLU 127 N 0.00 0.00 0.04 1.13 4.22 -1.19 -2.69 114.58 116.08 3if9 h GLU 127 Ca -0.00 0.00 -0.32 0.00 0.08 0.00 0.00 59.36 59.12 3if9 h GLU 127 Cb 0.33 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 3if9 h GLU 127 CO 0.01 0.33 -1.76 1.63 -2.18 0.00 0.00 179.01 177.04 3if9 n LYS 128 N -3.15 0.63 -3.88 1.92 4.76 -0.67 -4.72 118.16 113.05 3if9 n LYS 128 Ca 0.02 0.41 -0.29 0.00 -2.87 0.00 0.00 58.31 55.57 3if9 n LYS 128 Cb 0.68 -1.68 -0.13 0.00 -1.84 0.00 0.00 35.03 32.05 3if9 n LYS 128 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3if9 s GLU 129 N -2.45 1.89 0.64 1.97 0.41 0.11 -4.91 118.70 116.35 3if9 s GLU 129 Ca -0.29 -2.60 0.33 0.00 -0.41 0.00 0.00 54.97 52.00 3if9 s GLU 129 Cb 0.08 -3.08 1.83 0.00 -1.78 0.00 0.00 34.13 31.18 3if9 s GLU 129 CO 0.63 -1.16 2.09 -1.35 -0.49 0.00 0.00 175.26 174.98 3if9 h PRO 130 N 6.34 0.00 -0.02 0.39 0.11 -1.70 -2.66 132.00 134.45 3if9 h PRO 130 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3if9 h PRO 130 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3if9 h PRO 130 CO 0.64 0.00 -0.08 0.66 -0.21 0.00 0.00 178.00 179.02 3if9 n TYR 131 N -3.29 0.00 -2.03 0.65 4.02 -1.26 -4.92 117.16 110.33 3if9 n TYR 131 Ca -0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.53 3if9 n TYR 131 Cb 0.31 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.66 3if9 n TYR 131 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3if9 s ALA 132 N -1.76 2.56 0.35 -0.72 0.00 -1.00 -4.15 121.76 117.03 3if9 s ALA 132 Ca 0.22 0.96 -0.24 0.00 0.00 0.00 0.00 51.96 52.90 3if9 s ALA 132 Cb 0.16 -3.43 -0.14 0.00 0.00 0.00 0.00 23.12 19.71 3if9 s ALA 132 CO 0.29 -1.12 0.52 0.45 0.00 0.00 0.00 175.76 175.90 3if9 n SER 133 N -1.59 -1.03 0.01 0.00 2.88 -0.30 -4.88 113.62 108.70 3if9 n SER 133 Ca 0.13 0.98 0.14 0.00 -1.33 0.00 0.00 58.87 58.79 3if9 n SER 133 Cb 0.50 -1.06 0.57 0.00 -0.75 0.00 0.00 64.21 63.47 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 1.86 -1.49 0.35 0.46 0.00 -1.26 -3.61 105.19 101.50 3if9 n GLY 134 Ca 0.13 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.55 1.08 -4.80 1.61 8.00 -1.26 -4.94 116.55 114.68 3if9 n ASP 135 Ca 0.07 -1.50 -0.34 0.00 0.71 0.00 0.00 54.79 53.74 3if9 n ASP 135 Cb 0.35 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.38 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 -1.92 3.79 -2.38 0.53 -4.36 -1.24 -4.80 121.20 110.83 3if9 s ILE 136 Ca 0.35 1.05 0.23 0.00 -0.26 0.00 0.00 60.65 62.03 3if9 s ILE 136 Cb 0.18 -3.44 0.47 0.00 1.25 0.00 0.00 42.46 40.93 3if9 s ILE 136 CO 0.29 -0.30 1.44 0.49 0.24 0.00 0.00 174.94 177.10 3if9 n PHE 137 N -1.20 0.59 0.00 1.37 3.01 0.35 -4.78 117.46 116.79 3if9 n PHE 137 Ca 0.09 -0.29 0.00 0.00 1.01 0.00 0.00 57.45 58.26 3if9 n PHE 137 Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 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 1.53 -0.00 3.54 1.37 0.00 -1.25 -3.81 105.19 106.56 3if9 n GLY 138 Ca 0.20 -2.27 -0.15 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.00 -1.82 0.06 4.61 0.00 -0.81 0.24 121.76 122.04 3if9 s ALA 139 Ca 0.00 1.39 -0.24 0.00 0.00 0.00 0.00 51.96 53.11 3if9 s ALA 139 Cb 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 23.12 22.84 3if9 s ALA 139 CO 0.00 -0.36 0.72 -1.54 0.00 0.00 0.00 175.76 174.58 3if9 s SER 140 N -1.20 7.19 -0.42 0.00 1.04 -1.11 -1.07 113.70 118.14 3if9 s SER 140 Ca -0.08 1.42 -0.16 0.00 0.48 0.00 0.00 55.95 57.62 3if9 s SER 140 Cb -0.00 -2.45 0.03 0.00 0.10 0.00 0.00 66.02 63.70 3if9 s SER 140 CO 0.07 0.09 0.34 0.12 0.98 0.00 0.00 173.24 174.83 3if9 s PHE 141 N -0.36 3.23 -0.80 5.02 5.36 -0.32 -2.15 117.98 127.96 3if9 s PHE 141 Ca 0.36 -0.58 -0.16 0.00 -0.96 0.00 0.00 56.93 55.59 3if9 s PHE 141 Cb -0.20 -2.71 0.18 0.00 -0.34 0.00 0.00 43.02 39.95 3if9 s PHE 141 CO 0.22 -0.63 0.81 0.42 -1.46 0.00 0.00 175.22 174.58 3if9 s ILE 142 N 1.77 5.33 0.59 3.12 1.09 -0.30 -3.36 121.20 129.44 3if9 s ILE 142 Ca 0.06 -2.07 0.29 0.00 -1.10 0.00 0.00 60.65 57.83 3if9 s ILE 142 Cb -0.19 -4.52 0.39 0.00 -1.06 0.00 0.00 42.46 37.08 3if9 s ILE 142 CO 0.10 -1.12 1.73 -0.61 -0.10 0.00 0.00 174.94 174.94 3if9 h GLN 143 N 8.22 0.00 -0.04 2.79 5.75 -1.83 -2.12 115.11 127.88 3if9 h GLN 143 Ca 0.04 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3if9 h GLN 143 Cb 1.05 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.60 3if9 h GLN 143 CO 0.88 0.00 0.00 -0.25 -2.65 0.00 0.00 178.83 176.81 3if9 n ASP 144 N -3.58 1.68 -3.82 -0.69 8.00 -1.26 -4.30 116.55 112.57 3if9 n ASP 144 Ca 0.13 -1.49 -0.42 0.00 0.71 0.00 0.00 54.79 53.72 3if9 n ASP 144 Cb 0.93 -0.03 -0.00 0.00 -0.02 0.00 0.00 41.12 42.00 3if9 n ASP 144 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3if9 n ASP 145 N 0.02 3.90 -4.09 -2.24 9.92 -0.99 -4.91 116.55 118.16 3if9 n ASP 145 Ca 0.02 -2.84 -0.29 0.00 -0.53 0.00 0.00 54.79 51.16 3if9 n ASP 145 Cb 0.17 -1.64 0.19 0.00 -0.64 0.00 0.00 41.12 39.20 3if9 n ASP 145 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 3if9 s VAL 146 N 3.47 2.00 0.03 2.53 -7.23 -1.26 -3.82 120.40 116.11 3if9 s VAL 146 Ca 0.48 -0.11 -0.00 0.00 -1.81 0.00 0.00 61.98 60.54 3if9 s VAL 146 Cb 0.13 -2.89 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 3if9 s VAL 146 CO -0.06 0.00 -0.03 -1.38 -0.31 0.00 0.00 175.10 173.32 3if9 s HIS 147 N -3.82 0.31 0.37 2.82 -3.43 -0.94 -0.21 115.29 110.39 3if9 s HIS 147 Ca 0.75 -0.60 0.05 0.00 -0.80 0.00 0.00 55.06 54.45 3if9 s HIS 147 Cb -0.03 -0.22 -0.06 0.00 -1.43 0.00 0.00 32.58 30.84 3if9 s HIS 147 CO 0.52 -0.21 0.04 0.14 -2.00 0.00 0.00 174.74 173.23 3if9 s VAL 148 N -1.80 1.42 -0.40 -5.38 -7.23 -0.17 -0.44 120.40 106.40 3if9 s VAL 148 Ca -0.13 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 57.89 3if9 s VAL 148 Cb -0.07 -2.81 0.01 0.00 0.56 0.00 0.00 36.38 34.07 3if9 s VAL 148 CO -0.02 0.00 0.31 -1.61 -0.31 0.00 0.00 175.10 173.46 3if9 s GLU 149 N -3.82 3.08 0.17 4.82 2.02 -0.71 -4.13 118.70 120.13 3if9 s GLU 149 Ca 0.34 -0.92 -0.15 0.00 0.02 0.00 0.00 54.97 54.27 3if9 s GLU 149 Cb 0.09 -3.95 0.06 0.00 0.10 0.00 0.00 34.13 30.43 3if9 s GLU 149 CO 0.16 -0.71 1.82 -1.35 0.02 0.00 0.00 175.26 175.20 3if9 h PRO 150 N 8.61 0.59 -0.58 0.39 0.11 -1.85 -2.07 132.00 137.22 3if9 h PRO 150 Ca -0.28 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.83 3if9 h PRO 150 Cb 1.13 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 3if9 h PRO 150 CO 0.72 0.39 0.38 -0.92 -0.21 0.00 0.00 178.00 178.36 3if9 h TYR 151 N 0.61 0.66 0.00 0.65 3.20 -1.90 -1.70 116.97 118.49 3if9 h TYR 151 Ca 0.18 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 3if9 h TYR 151 Cb -0.03 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 3if9 h TYR 151 CO -0.05 0.39 -0.36 0.74 -1.64 0.00 0.00 178.16 177.24 3if9 h PHE 152 N 0.68 0.00 -0.19 -3.82 -1.00 -1.72 -1.30 116.94 109.59 3if9 h PHE 152 Ca 0.23 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.98 3if9 h PHE 152 Cb 0.07 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 3if9 h PHE 152 CO -0.00 0.20 -0.00 0.28 -1.61 0.00 0.00 178.31 177.18 3if9 h VAL 153 N 0.00 1.25 0.21 -0.55 2.07 -0.88 0.07 116.25 118.42 3if9 h VAL 153 Ca -0.01 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.65 3if9 h VAL 153 Cb 1.17 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 3if9 h VAL 153 CO 0.02 0.26 -0.26 0.00 0.02 0.00 0.00 177.57 177.62 3if9 h LYS 155 N -0.52 0.60 0.00 0.00 1.79 -1.21 -1.26 116.57 115.97 3if9 h LYS 155 Ca 0.01 -0.04 -0.14 0.00 -2.18 0.00 0.00 60.65 58.30 3if9 h LYS 155 Cb 0.50 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 3if9 h LYS 155 CO -0.09 0.40 -0.68 0.00 -1.08 0.00 0.00 179.45 178.01 3if9 h ALA 156 N 1.69 0.72 0.21 3.86 0.00 -0.60 -2.13 119.26 123.00 3if9 h ALA 156 Ca 0.22 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3if9 h ALA 156 Cb 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3if9 h ALA 156 CO -0.06 0.84 -0.10 1.88 0.00 0.00 0.00 179.25 181.82 3if9 h TYR 157 N 0.00 -0.26 -0.34 0.00 0.99 -0.54 -2.90 116.97 113.92 3if9 h TYR 157 Ca -0.01 -0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.77 3if9 h TYR 157 Cb 1.33 0.09 -0.05 0.00 1.00 0.00 0.00 36.73 39.10 3if9 h TYR 157 CO 0.00 0.13 0.05 0.28 -0.00 0.00 0.00 178.16 178.63 3if9 h VAL 158 N -0.78 0.81 -0.28 -2.88 2.07 -1.26 0.73 116.25 114.66 3if9 h VAL 158 Ca -0.03 -0.06 -0.10 0.00 0.82 0.00 0.00 66.70 67.33 3if9 h VAL 158 Cb 0.51 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3if9 h VAL 158 CO 0.05 0.03 -0.25 0.50 0.02 0.00 0.00 177.57 177.91 3if9 h LYS 159 N 0.17 0.54 -0.17 1.57 1.63 -1.52 -1.10 116.57 117.69 3if9 h LYS 159 Ca 0.16 -0.21 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 3if9 h LYS 159 Cb 0.19 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 3if9 h LYS 159 CO -0.23 0.75 -0.01 0.00 -3.45 0.00 0.00 179.45 176.51 3if9 h ALA 160 N 1.25 0.23 -0.18 5.00 0.00 -1.18 -2.31 119.26 122.07 3if9 h ALA 160 Ca 0.07 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3if9 h ALA 160 Cb 0.69 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3if9 h ALA 160 CO 0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 179.25 179.21 3if9 h ALA 161 N 0.76 0.12 -0.25 0.00 0.00 -0.61 -1.66 119.26 117.63 3if9 h ALA 161 Ca 0.05 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.08 3if9 h ALA 161 Cb 0.40 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 3if9 h ALA 161 CO 0.01 -0.48 -0.40 0.87 0.00 0.00 0.00 179.25 179.25 3if9 h LYS 162 N 0.00 -0.39 -0.28 0.00 1.57 -1.20 -0.26 116.57 116.01 3if9 h LYS 162 Ca 0.09 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.98 3if9 h LYS 162 Cb 0.13 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3if9 h LYS 162 CO -0.19 -0.26 0.25 0.52 -0.57 0.00 0.00 179.45 179.20 3if9 h MET 163 N -0.40 0.00 -0.51 3.15 2.86 -1.01 0.28 114.93 119.30 3if9 h MET 163 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3if9 h MET 163 Cb 0.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.26 3if9 h MET 163 CO -0.47 0.00 0.00 1.28 1.06 0.00 0.00 176.91 178.78 3if9 n LEU 164 N -4.08 2.75 0.00 1.22 4.77 -0.20 -4.92 117.00 116.54 3if9 n LEU 164 Ca 0.04 -1.38 0.00 0.00 -0.03 0.00 0.00 56.01 54.64 3if9 n LEU 164 Cb 0.40 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3if9 n LEU 164 CO 0.31 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 3if9 n GLY 165 N 1.18 2.44 3.68 -0.72 0.00 0.99 -4.78 105.19 107.99 3if9 n GLY 165 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.72 0.61 -3.79 4.61 0.00 -0.67 -4.69 120.51 115.86 3if9 n ALA 166 Ca 0.00 -0.06 -0.34 0.00 0.00 0.00 0.00 53.44 53.04 3if9 n ALA 166 Cb 0.00 -2.23 -0.15 0.00 0.00 0.00 0.00 19.45 17.07 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 -3.28 3.05 -0.15 0.00 2.02 0.52 -4.29 118.70 116.56 3if9 s GLU 167 Ca 0.79 -0.82 -0.05 0.00 0.02 0.00 0.00 54.97 54.91 3if9 s GLU 167 Cb -0.38 -2.86 -0.03 0.00 0.10 0.00 0.00 34.13 30.96 3if9 s GLU 167 CO 0.44 -0.28 -0.00 0.42 0.02 0.00 0.00 175.26 175.86 3if9 s ILE 168 N 1.36 4.24 -0.33 -1.63 -1.09 -1.26 -0.96 121.20 121.53 3if9 s ILE 168 Ca 0.03 -0.24 0.01 0.00 -2.23 0.00 0.00 60.65 58.22 3if9 s ILE 168 Cb -0.15 -2.86 0.10 0.00 -1.58 0.00 0.00 42.46 37.97 3if9 s ILE 168 CO -0.07 0.50 0.10 -0.36 -1.23 0.00 0.00 174.94 173.88 3if9 s PHE 169 N 0.16 2.37 0.95 3.97 0.40 -0.62 -4.97 117.98 120.25 3if9 s PHE 169 Ca 0.01 -2.19 -0.14 0.00 -0.60 0.00 0.00 56.93 54.01 3if9 s PHE 169 Cb -0.13 -2.11 0.16 0.00 0.51 0.00 0.00 43.02 41.45 3if9 s PHE 169 CO 0.02 -0.89 1.16 -1.21 0.70 0.00 0.00 175.22 175.00 3if9 s GLU 170 N 1.28 0.78 -1.02 0.44 2.02 -1.26 -2.12 118.70 118.82 3if9 s GLU 170 Ca 0.11 0.14 -0.04 0.00 0.02 0.00 0.00 54.97 55.20 3if9 s GLU 170 Cb -0.18 -1.81 0.03 0.00 0.10 0.00 0.00 34.13 32.27 3if9 s GLU 170 CO -0.18 -2.41 0.20 0.72 0.02 0.00 0.00 175.26 173.62 3if9 n HIS 171 N -3.88 -1.64 -3.73 1.61 8.25 0.02 -4.81 115.22 111.04 3if9 n HIS 171 Ca 0.09 0.20 -0.29 0.00 -0.26 0.00 0.00 57.72 57.46 3if9 n HIS 171 Cb 0.59 -2.61 -0.12 0.00 1.12 0.00 0.00 29.99 28.97 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 -2.67 1.70 0.59 1.59 2.01 0.86 -4.92 115.64 114.80 3if9 s THR 172 Ca 0.17 -3.05 -0.19 0.00 0.31 0.00 0.00 61.69 58.92 3if9 s THR 172 Cb -0.09 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 3if9 s THR 172 CO 0.21 -0.97 1.23 -2.84 -0.69 0.00 0.00 174.62 171.56 3if9 s PRO 173 N -0.19 2.97 -0.27 4.92 0.02 -1.26 -3.50 135.00 137.68 3if9 s PRO 173 Ca 0.22 1.89 -0.14 0.00 0.02 0.00 0.00 61.00 62.99 3if9 s PRO 173 Cb -0.15 -1.97 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 3if9 s PRO 173 CO -0.07 -1.23 0.34 0.08 -0.33 0.00 0.00 177.00 175.79 3if9 s VAL 174 N -1.54 5.20 -0.01 3.83 1.01 -1.26 -4.55 120.40 123.08 3if9 s VAL 174 Ca 0.77 0.47 -0.20 0.00 0.00 0.00 0.00 61.98 63.02 3if9 s VAL 174 Cb -0.32 -3.67 -0.28 0.00 0.00 0.00 0.00 36.38 32.11 3if9 s VAL 174 CO 0.35 0.16 1.02 -0.07 0.00 0.00 0.00 175.10 176.56 3if9 h LEU 175 N 8.57 0.57 -7.15 3.92 3.38 -1.37 -3.48 115.31 119.74 3if9 h LEU 175 Ca -0.32 -0.85 -0.08 0.00 0.09 0.00 0.00 57.88 56.73 3if9 h LEU 175 Cb 1.17 -0.18 -0.20 0.00 0.09 0.00 0.00 40.66 41.54 3if9 h LEU 175 CO 0.63 1.35 0.04 -2.28 0.09 0.00 0.00 178.44 178.27 3if9 s HIS 176 N -2.86 -0.55 -0.11 1.13 5.04 -1.23 -5.01 115.29 111.70 3if9 s HIS 176 Ca -0.13 1.03 0.02 0.00 -1.54 0.00 0.00 55.06 54.44 3if9 s HIS 176 Cb 0.03 0.30 -0.01 0.00 0.04 0.00 0.00 32.58 32.93 3if9 s HIS 176 CO 0.84 -0.50 -0.17 0.08 -2.34 0.00 0.00 174.74 172.65 3if9 s VAL 177 N -0.90 2.68 0.09 0.89 1.01 -1.26 -1.57 120.40 121.33 3if9 s VAL 177 Ca -0.09 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.18 3if9 s VAL 177 Cb -0.02 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 3if9 s VAL 177 CO 0.07 0.55 -0.26 -1.61 0.00 0.00 0.00 175.10 173.85 3if9 s GLU 178 N 0.19 1.53 -0.01 2.72 0.41 -0.10 -4.90 118.70 118.53 3if9 s GLU 178 Ca -0.10 -1.20 0.02 0.00 -0.41 0.00 0.00 54.97 53.28 3if9 s GLU 178 Cb -0.16 -1.85 0.03 0.00 -1.78 0.00 0.00 34.13 30.38 3if9 s GLU 178 CO 0.06 0.46 0.81 2.89 -0.49 0.00 0.00 175.26 178.99 3if9 n ARG 179 N 1.36 1.11 -0.08 1.61 1.85 -1.26 -2.47 116.66 118.77 3if9 n ARG 179 Ca -0.18 -1.13 -0.09 0.00 -1.00 0.00 0.00 57.85 55.45 3if9 n ARG 179 Cb 0.53 -0.77 -0.02 0.00 -1.05 0.00 0.00 32.46 31.14 3if9 n ARG 179 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 3if9 h ASP 180 N 0.00 0.35 -3.83 2.89 3.45 -1.97 -3.45 116.42 113.87 3if9 h ASP 180 Ca 0.00 -0.04 -0.44 0.00 0.43 0.00 0.00 57.03 56.98 3if9 h ASP 180 Cb 0.90 -0.09 0.17 0.00 -0.56 0.00 0.00 39.33 39.75 3if9 h ASP 180 CO 0.00 0.29 0.21 -0.83 -1.57 0.00 0.00 179.24 177.34 3if9 s GLY 181 N -2.54 1.59 0.00 2.75 0.00 -1.26 -4.97 107.32 102.88 3if9 s GLY 181 Ca -0.13 -0.66 0.28 0.00 0.00 0.00 0.00 44.72 44.20 3if9 s GLY 181 CO 0.71 0.05 1.72 1.18 0.00 0.00 0.00 173.10 176.76 3if9 n GLU 182 N -4.28 0.35 -5.12 2.90 1.02 -1.26 -4.62 120.64 109.63 3if9 n GLU 182 Ca 0.09 -0.14 -0.29 0.00 -0.02 0.00 0.00 57.16 56.80 3if9 n GLU 182 Cb 0.59 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 30.35 3if9 n GLU 182 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3if9 s ALA 183 N -2.75 1.89 0.37 0.62 0.00 -1.26 -5.02 121.76 115.60 3if9 s ALA 183 Ca 0.20 -0.96 -0.27 0.00 0.00 0.00 0.00 51.96 50.93 3if9 s ALA 183 Cb 0.19 -0.50 -0.09 0.00 0.00 0.00 0.00 23.12 22.72 3if9 s ALA 183 CO 0.56 0.44 1.19 -0.51 0.00 0.00 0.00 175.76 177.44 3if9 s LEU 184 N -0.46 4.30 -0.12 0.00 1.43 0.12 -4.75 118.68 119.21 3if9 s LEU 184 Ca 0.07 2.41 -0.01 0.00 -1.03 0.00 0.00 54.13 55.56 3if9 s LEU 184 Cb -0.09 -3.88 0.03 0.00 0.03 0.00 0.00 46.19 42.28 3if9 s LEU 184 CO -0.00 -0.56 -0.05 0.12 0.23 0.00 0.00 176.35 176.09 3if9 s PHE 185 N -1.32 1.35 0.06 0.29 5.36 -1.03 -0.09 117.98 122.60 3if9 s PHE 185 Ca 0.53 -0.70 0.07 0.00 -0.96 0.00 0.00 56.93 55.87 3if9 s PHE 185 Cb -0.33 -1.16 -0.04 0.00 -0.34 0.00 0.00 43.02 41.16 3if9 s PHE 185 CO 0.42 -0.50 -0.15 0.96 -1.46 0.00 0.00 175.22 174.49 3if9 s ILE 186 N 1.75 3.03 -0.12 3.12 -5.25 -1.24 -0.92 121.20 121.58 3if9 s ILE 186 Ca 0.04 -1.19 0.02 0.00 -0.99 0.00 0.00 60.65 58.52 3if9 s ILE 186 Cb -0.13 -2.33 -0.00 0.00 2.95 0.00 0.00 42.46 42.94 3if9 s ILE 186 CO -0.08 0.26 -0.19 -0.54 -1.79 0.00 0.00 174.94 172.61 3if9 s LYS 187 N -1.70 3.18 0.25 0.37 1.02 -0.61 -3.83 119.74 118.42 3if9 s LYS 187 Ca 0.17 -0.79 0.08 0.00 0.02 0.00 0.00 55.97 55.45 3if9 s LYS 187 Cb -0.11 -2.47 -0.05 0.00 -0.52 0.00 0.00 37.83 34.68 3if9 s LYS 187 CO 0.08 0.15 -0.13 0.95 -0.92 0.00 0.00 175.35 175.48 3if9 s THR 188 N 0.44 1.91 -1.50 2.17 -4.23 -1.26 -0.84 115.64 112.33 3if9 s THR 188 Ca -0.14 -2.23 0.17 0.00 -1.18 0.00 0.00 61.69 58.31 3if9 s THR 188 Cb -0.17 -2.24 0.32 0.00 1.34 0.00 0.00 72.50 71.76 3if9 s THR 188 CO 0.06 -0.46 1.49 -2.65 -0.54 0.00 0.00 174.62 172.52 3if9 n PRO 189 N -0.51 0.28 -0.06 3.99 -0.02 -1.26 -3.52 135.00 133.90 3if9 n PRO 189 Ca -0.07 0.11 -0.01 0.00 -2.02 0.00 0.00 63.50 61.51 3if9 n PRO 189 Cb 0.61 -1.50 -0.16 0.00 -0.02 0.00 0.00 33.50 32.43 3if9 n PRO 189 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3if9 n SER 190 N -1.25 0.17 0.00 2.55 7.64 -1.26 -5.08 113.62 116.38 3if9 n SER 190 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 3if9 n SER 190 Cb 0.13 1.38 0.00 0.00 -1.01 0.00 0.00 64.21 64.71 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 1.59 4.68 4.01 0.23 0.00 -1.23 -5.17 105.19 109.30 3if9 n GLY 191 Ca -0.20 -0.90 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 5.70 -0.05 1.61 1.01 -1.26 -4.55 116.67 119.14 3if9 s ASP 192 Ca 0.00 -0.37 -0.12 0.00 0.71 0.00 0.00 52.55 52.77 3if9 s ASP 192 Cb 0.00 -0.76 0.02 0.00 1.01 0.00 0.00 42.92 43.19 3if9 s ASP 192 CO 0.00 -0.71 0.27 0.68 0.21 0.00 0.00 175.17 175.62 3if9 s VAL 193 N -2.33 0.04 0.58 -1.27 -7.23 -1.25 -4.81 120.40 104.13 3if9 s VAL 193 Ca 0.53 -0.33 -0.17 0.00 -1.81 0.00 0.00 61.98 60.20 3if9 s VAL 193 Cb -0.10 -0.51 -0.04 0.00 0.56 0.00 0.00 36.38 36.29 3if9 s VAL 193 CO 0.33 -0.18 1.08 0.26 -0.31 0.00 0.00 175.10 176.28 3if9 s TRP 194 N -0.77 2.84 -0.11 2.82 0.23 -0.59 -3.61 118.94 119.75 3if9 s TRP 194 Ca -0.09 1.54 -0.06 0.00 -2.03 0.00 0.00 56.10 55.47 3if9 s TRP 194 Cb -0.04 -3.11 0.05 0.00 0.03 0.00 0.00 33.47 30.39 3if9 s TRP 194 CO 0.02 -1.29 0.26 0.00 0.96 0.00 0.00 176.95 176.91 3if9 s ALA 195 N -2.21 -0.60 0.26 0.98 0.00 0.87 -2.00 121.76 119.05 3if9 s ALA 195 Ca 0.67 1.04 0.10 0.00 0.00 0.00 0.00 51.96 53.77 3if9 s ALA 195 Cb -0.19 -0.66 0.32 0.00 0.00 0.00 0.00 23.12 22.59 3if9 s ALA 195 CO 0.33 -0.20 1.59 -0.91 0.00 0.00 0.00 175.76 176.57 3if9 h ASN 196 N 7.17 0.02 -3.51 0.00 2.35 -1.21 0.34 115.58 120.75 3if9 h ASN 196 Ca -0.40 -0.01 -0.24 0.00 -0.55 0.00 0.00 56.30 55.10 3if9 h ASN 196 Cb 1.16 -0.01 -0.31 0.00 0.05 0.00 0.00 38.32 39.21 3if9 h ASN 196 CO 0.37 0.65 -0.61 -1.00 -1.65 0.00 0.00 177.43 175.19 3if9 s HIS 197 N -3.58 -0.14 -0.12 1.19 3.76 -0.43 -4.81 115.29 111.16 3if9 s HIS 197 Ca -0.01 0.41 -0.01 0.00 -0.15 0.00 0.00 55.06 55.30 3if9 s HIS 197 Cb 0.12 -0.07 -0.02 0.00 1.11 0.00 0.00 32.58 33.72 3if9 s HIS 197 CO 0.77 -0.14 -0.07 0.08 -0.85 0.00 0.00 174.74 174.53 3if9 s VAL 198 N 0.94 3.58 -0.19 -0.90 1.01 -0.85 -0.37 120.40 123.62 3if9 s VAL 198 Ca -0.07 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.43 3if9 s VAL 198 Cb -0.10 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.78 3if9 s VAL 198 CO -0.04 0.53 -0.18 -0.69 0.00 0.00 0.00 175.10 174.72 3if9 s VAL 199 N 0.06 2.26 -0.42 2.92 1.01 0.89 -1.17 120.40 125.95 3if9 s VAL 199 Ca -0.02 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 60.84 3if9 s VAL 199 Cb -0.14 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.30 3if9 s VAL 199 CO 0.03 0.52 0.89 -0.69 0.00 0.00 0.00 175.10 175.86 3if9 s VAL 200 N 1.32 4.56 -0.42 2.92 1.01 0.23 -0.19 120.40 129.82 3if9 s VAL 200 Ca 0.05 0.88 0.10 0.00 0.00 0.00 0.00 61.98 63.01 3if9 s VAL 200 Cb -0.13 -4.36 0.36 0.00 0.00 0.00 0.00 36.38 32.25 3if9 s VAL 200 CO -0.12 -0.68 0.82 0.00 0.00 0.00 0.00 175.10 175.13 3if9 n ALA 201 N 6.91 2.97 -1.03 5.51 0.00 0.56 -0.95 120.51 134.48 3if9 n ALA 201 Ca 0.06 -3.75 0.06 0.00 0.00 0.00 0.00 53.44 49.81 3if9 n ALA 201 Cb 0.48 -0.86 0.28 0.00 0.00 0.00 0.00 19.45 19.35 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 0.08 4.06 0.00 0.00 7.64 -1.18 -3.91 113.62 120.31 3if9 n SER 202 Ca 0.26 -3.09 0.00 0.00 1.01 0.00 0.00 58.87 57.05 3if9 n SER 202 Cb 0.61 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 -0.41 2.77 0.00 0.23 0.00 -1.26 -1.91 105.19 104.61 3if9 n GLY 203 Ca 0.24 -0.37 0.04 0.00 0.00 0.00 0.00 46.02 45.94 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 1.15 -0.84 1.61 3.14 -1.26 -1.90 118.33 120.23 3if9 n VAL 204 Ca 0.00 0.29 0.08 0.00 -2.96 0.00 0.00 64.34 61.75 3if9 n VAL 204 Cb 0.00 -1.14 0.36 0.00 -1.06 0.00 0.00 33.84 32.01 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 -1.41 1.71 0.17 1.45 8.01 -0.80 -4.45 117.44 122.11 3if9 n TRP 205 Ca 0.03 -0.72 0.05 0.00 -1.31 0.00 0.00 57.50 55.54 3if9 n TRP 205 Cb 0.09 -0.41 0.18 0.00 -2.01 0.00 0.00 31.31 29.17 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 3.58 0.00 -0.61 -0.99 0.02 -1.43 -3.33 113.55 110.78 3if9 h SER 206 Ca 0.00 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.07 3if9 h SER 206 Cb 1.74 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 64.16 3if9 h SER 206 CO 0.37 0.42 -0.16 1.23 -1.14 0.00 0.00 176.83 177.55 3if9 h GLY 207 N 2.87 0.43 -0.96 -3.77 0.00 -1.83 -1.41 103.07 98.39 3if9 h GLY 207 Ca -0.00 0.21 0.28 0.00 0.00 0.00 0.00 47.33 47.81 3if9 h GLY 207 CO 0.05 -0.23 0.04 1.98 0.00 0.00 0.00 176.54 178.38 3if9 h MET 208 N -0.01 0.01 0.00 4.80 -1.53 -1.92 0.18 114.93 116.47 3if9 h MET 208 Ca 0.29 -0.00 -0.15 0.00 -3.44 0.00 0.00 59.70 56.41 3if9 h MET 208 Cb 0.45 -0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.48 3if9 h MET 208 CO -0.64 0.01 -0.70 0.74 0.14 0.00 0.00 176.91 176.46 3if9 h PHE 209 N 0.01 0.00 0.17 1.39 -1.00 -1.51 -1.40 116.94 114.60 3if9 h PHE 209 Ca 0.61 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.38 3if9 h PHE 209 Cb 1.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.82 3if9 h PHE 209 CO -0.48 0.70 -0.08 0.74 -1.61 0.00 0.00 178.31 177.57 3if9 h PHE 210 N 0.00 -0.21 -0.32 -0.55 -1.00 -0.55 -2.77 116.94 111.54 3if9 h PHE 210 Ca -0.01 -0.01 0.06 0.00 2.81 0.00 0.00 57.97 60.82 3if9 h PHE 210 Cb 1.28 0.07 -0.05 0.00 3.61 0.00 0.00 35.95 40.86 3if9 h PHE 210 CO 0.00 -0.00 -0.00 -0.22 -1.61 0.00 0.00 178.31 176.47 3if9 h LYS 211 N -0.39 0.09 -0.27 1.51 3.64 -0.87 0.14 116.57 120.41 3if9 h LYS 211 Ca -0.02 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.43 3if9 h LYS 211 Cb 0.31 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3if9 h LYS 211 CO 0.04 0.06 0.34 1.96 -2.27 0.00 0.00 179.45 179.57 3if9 h GLN 212 N 0.09 0.00 -0.09 1.90 4.20 -1.23 -1.59 115.11 118.39 3if9 h GLN 212 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3if9 h GLN 212 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 3if9 h GLN 212 CO -0.26 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.18 3if9 n LEU 213 N -3.64 2.91 0.00 1.46 4.77 -0.61 -4.97 117.00 116.91 3if9 n LEU 213 Ca 0.04 -3.06 0.00 0.00 -0.03 0.00 0.00 56.01 52.96 3if9 n LEU 213 Cb 0.48 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3if9 n LEU 213 CO 0.26 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 3if9 n GLY 214 N -1.10 0.66 3.58 -0.72 0.00 -0.60 -5.03 105.19 101.98 3if9 n GLY 214 Ca 0.18 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 3.18 -0.16 0.99 1.43 0.40 -4.98 118.68 119.55 3if9 s LEU 215 Ca 0.00 -0.03 0.10 0.00 -1.03 0.00 0.00 54.13 53.18 3if9 s LEU 215 Cb 0.00 -1.70 0.58 0.00 0.03 0.00 0.00 46.19 45.10 3if9 s LEU 215 CO 0.00 0.35 1.40 -0.46 0.23 0.00 0.00 176.35 177.87 3if9 n ASN 216 N 2.30 4.29 -4.68 2.29 6.94 -1.26 -2.50 115.26 122.63 3if9 n ASN 216 Ca -0.18 -2.62 -0.42 0.00 -0.02 0.00 0.00 54.58 51.34 3if9 n ASN 216 Cb 0.53 -0.61 -0.03 0.00 -2.36 0.00 0.00 39.78 37.31 3if9 n ASN 216 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 3if9 s ASN 217 N -0.59 6.63 -0.07 0.53 0.02 -1.26 -4.99 114.94 115.20 3if9 s ASN 217 Ca 0.39 2.41 -0.00 0.00 -1.02 0.00 0.00 52.86 54.64 3if9 s ASN 217 Cb 0.29 -2.55 -0.03 0.00 0.02 0.00 0.00 41.25 38.97 3if9 s ASN 217 CO 0.12 -0.89 -0.04 0.00 0.02 0.00 0.00 177.10 176.31 3if9 s ALA 218 N 3.01 3.11 -0.14 0.60 0.00 -1.26 -4.72 121.76 122.35 3if9 s ALA 218 Ca 0.74 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.82 3if9 s ALA 218 Cb -0.38 -1.33 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 3if9 s ALA 218 CO 0.32 0.58 -0.08 -0.06 0.00 0.00 0.00 175.76 176.52 3if9 s PHE 219 N -0.84 2.93 -0.15 0.00 0.40 -1.26 -4.40 117.98 114.66 3if9 s PHE 219 Ca 0.13 -0.43 -0.04 0.00 -0.60 0.00 0.00 56.93 55.99 3if9 s PHE 219 Cb -0.11 -1.90 -0.03 0.00 0.51 0.00 0.00 43.02 41.49 3if9 s PHE 219 CO 0.02 -0.09 -0.02 -1.17 0.70 0.00 0.00 175.22 174.65 3if9 s LEU 220 N 0.31 3.34 0.30 -0.37 2.96 -1.13 -4.96 118.68 119.13 3if9 s LEU 220 Ca -0.06 -0.08 -0.27 0.00 -0.22 0.00 0.00 54.13 53.49 3if9 s LEU 220 Cb -0.15 -1.80 -0.09 0.00 0.50 0.00 0.00 46.19 44.64 3if9 s LEU 220 CO 0.04 0.19 0.99 -2.16 -1.32 0.00 0.00 176.35 174.09 3if9 s PRO 221 N 0.22 4.60 -0.31 0.98 0.04 -1.26 -0.33 135.00 138.94 3if9 s PRO 221 Ca -0.01 1.49 0.03 0.00 0.04 0.00 0.00 61.00 62.55 3if9 s PRO 221 Cb -0.14 -2.97 0.08 0.00 0.04 0.00 0.00 34.50 31.52 3if9 s PRO 221 CO 0.02 0.27 -0.01 0.08 0.04 0.00 0.00 177.00 177.40 3if9 s VAL 222 N -1.41 2.32 0.06 -0.36 1.01 0.46 -0.88 120.40 121.60 3if9 s VAL 222 Ca 0.48 -1.99 -0.31 0.00 0.00 0.00 0.00 61.98 60.17 3if9 s VAL 222 Cb -0.24 -2.55 -0.07 0.00 0.00 0.00 0.00 36.38 33.53 3if9 s VAL 222 CO 0.30 -0.34 1.40 -0.75 0.00 0.00 0.00 175.10 175.71 3if9 s LYS 223 N 1.01 4.31 -0.12 2.72 2.20 -0.13 -0.92 119.74 128.80 3if9 s LYS 223 Ca 0.02 2.02 0.02 0.00 -0.36 0.00 0.00 55.97 57.67 3if9 s LYS 223 Cb -0.20 -3.41 -0.00 0.00 -1.51 0.00 0.00 37.83 32.71 3if9 s LYS 223 CO -0.06 -0.50 -0.19 0.20 -0.36 0.00 0.00 175.35 174.44 3if9 s GLY 224 N 1.50 1.42 -0.12 5.54 0.00 0.66 -1.38 107.32 114.94 3if9 s GLY 224 Ca 0.64 -0.96 -0.02 0.00 0.00 0.00 0.00 44.72 44.38 3if9 s GLY 224 CO 0.29 -0.22 -0.04 -0.54 0.00 0.00 0.00 173.10 172.59 3if9 s GLU 225 N 0.43 3.35 0.24 2.90 2.02 -1.26 -1.10 118.70 125.28 3if9 s GLU 225 Ca -0.14 -0.51 0.04 0.00 0.02 0.00 0.00 54.97 54.38 3if9 s GLU 225 Cb -0.17 -2.82 -0.05 0.00 0.10 0.00 0.00 34.13 31.19 3if9 s GLU 225 CO 0.06 0.41 -0.01 0.00 0.02 0.00 0.00 175.26 175.74 3if9 s LEU 227 N -3.32 1.33 0.05 0.00 0.05 -0.78 -1.01 118.68 115.00 3if9 s LEU 227 Ca 0.28 -1.36 0.03 0.00 0.05 0.00 0.00 54.13 53.14 3if9 s LEU 227 Cb 0.05 0.31 -0.02 0.00 -2.05 0.00 0.00 46.19 44.48 3if9 s LEU 227 CO 0.09 -0.80 -0.10 -0.94 -0.55 0.00 0.00 176.35 174.05 3if9 s SER 228 N -3.16 1.10 0.19 1.48 1.04 -0.49 -1.43 113.70 112.43 3if9 s SER 228 Ca 0.36 -0.55 0.05 0.00 0.48 0.00 0.00 55.95 56.30 3if9 s SER 228 Cb 0.07 0.00 -0.05 0.00 0.10 0.00 0.00 66.02 66.15 3if9 s SER 228 CO 0.10 -0.15 -0.09 0.68 0.98 0.00 0.00 173.24 174.76 3if9 s VAL 229 N -1.29 1.35 -0.14 5.02 -7.23 -0.39 -0.56 120.40 117.16 3if9 s VAL 229 Ca -0.07 -2.11 -0.21 0.00 -1.81 0.00 0.00 61.98 57.78 3if9 s VAL 229 Cb -0.10 -2.03 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 3if9 s VAL 229 CO 0.01 -0.60 0.64 0.26 -0.31 0.00 0.00 175.10 175.10 3if9 s TRP 230 N -3.22 3.47 -0.89 2.82 0.52 -0.67 -0.46 118.94 120.51 3if9 s TRP 230 Ca 0.21 1.04 -0.07 0.00 0.02 0.00 0.00 56.10 57.31 3if9 s TRP 230 Cb 0.02 -2.77 0.22 0.00 -1.15 0.00 0.00 33.47 29.80 3if9 s TRP 230 CO 0.05 -0.03 0.80 1.21 0.02 0.00 0.00 176.95 179.00 3if9 s ASN 231 N 0.96 6.40 0.00 2.95 2.47 0.56 -4.16 114.94 124.11 3if9 s ASN 231 Ca 0.32 -3.29 0.24 0.00 0.42 0.00 0.00 52.86 50.55 3if9 s ASN 231 Cb -0.16 -2.05 0.37 0.00 -1.45 0.00 0.00 41.25 37.95 3if9 s ASN 231 CO 0.13 -0.34 1.33 0.47 -3.72 0.00 0.00 177.10 174.97 3if9 n ASP 232 N 3.03 1.58 -0.02 -4.21 8.00 -1.26 -4.59 116.55 119.08 3if9 n ASP 232 Ca 0.18 -1.24 -0.00 0.00 0.71 0.00 0.00 54.79 54.43 3if9 n ASP 232 Cb 0.40 0.30 -0.05 0.00 -0.02 0.00 0.00 41.12 41.76 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 -0.28 3.50 -4.15 -2.24 10.43 -1.26 -5.08 116.55 117.47 3if9 n ASP 233 Ca 0.11 0.00 -0.15 0.00 2.57 0.00 0.00 54.79 57.32 3if9 n ASP 233 Cb 0.41 0.92 -0.11 0.00 1.84 0.00 0.00 41.12 44.18 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 -2.27 0.91 0.15 0.53 -4.36 -1.26 -5.12 121.20 109.77 3if9 s ILE 234 Ca -0.03 -1.42 -0.30 0.00 -0.26 0.00 0.00 60.65 58.64 3if9 s ILE 234 Cb 0.03 -1.12 -0.07 0.00 1.25 0.00 0.00 42.46 42.55 3if9 s ILE 234 CO 0.26 -0.42 1.01 -2.16 0.24 0.00 0.00 174.94 173.87 3if9 s PRO 235 N -2.22 4.68 -0.27 0.37 0.04 -1.26 -5.01 135.00 131.33 3if9 s PRO 235 Ca -0.00 1.55 -0.00 0.00 0.04 0.00 0.00 61.00 62.58 3if9 s PRO 235 Cb -0.07 -3.33 0.15 0.00 0.04 0.00 0.00 34.50 31.29 3if9 s PRO 235 CO 0.01 0.19 0.42 -1.17 0.04 0.00 0.00 177.00 176.49 3if9 s LEU 236 N -0.24 -0.81 -0.16 -3.56 2.96 -1.26 -4.81 118.68 110.80 3if9 s LEU 236 Ca 0.47 0.06 0.09 0.00 -0.22 0.00 0.00 54.13 54.54 3if9 s LEU 236 Cb -0.26 1.26 -0.16 0.00 0.50 0.00 0.00 46.19 47.53 3if9 s LEU 236 CO 0.32 -0.32 -0.02 0.41 -1.32 0.00 0.00 176.35 175.42 3if9 n THR 237 N 5.37 1.03 -3.54 3.68 -1.04 -1.26 -4.82 114.28 113.70 3if9 n THR 237 Ca -0.01 -0.55 -0.38 0.00 -2.04 0.00 0.00 64.05 61.07 3if9 n THR 237 Cb 0.50 -0.80 -0.06 0.00 -1.82 0.00 0.00 70.33 68.15 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 -2.36 3.90 0.22 -2.82 1.02 -1.26 -4.33 119.74 114.10 3if9 s LYS 238 Ca -0.13 0.33 -0.31 0.00 0.02 0.00 0.00 55.97 55.87 3if9 s LYS 238 Cb 0.05 -3.24 -0.11 0.00 -0.52 0.00 0.00 37.83 34.01 3if9 s LYS 238 CO 0.55 0.65 1.63 0.99 -0.92 0.00 0.00 175.35 178.24 3if9 s THR 239 N -0.89 2.26 -0.19 2.17 2.01 -0.57 -4.76 115.64 115.65 3if9 s THR 239 Ca 0.22 0.19 -0.10 0.00 0.31 0.00 0.00 61.69 62.31 3if9 s THR 239 Cb -0.16 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.18 3if9 s THR 239 CO 0.11 0.02 0.14 -0.76 -0.69 0.00 0.00 174.62 173.44 3if9 s LEU 240 N 0.68 4.22 -0.02 4.42 1.43 -0.23 -0.53 118.68 128.66 3if9 s LEU 240 Ca 0.70 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 54.06 3if9 s LEU 240 Cb -0.47 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 43.66 3if9 s LEU 240 CO 0.36 0.18 -0.01 -0.47 0.23 0.00 0.00 176.35 176.64 3if9 s TYR 241 N 0.31 0.28 -0.19 0.29 5.04 -0.20 -0.39 117.35 122.50 3if9 s TYR 241 Ca 0.09 -0.02 -0.15 0.00 -2.44 0.00 0.00 57.07 54.55 3if9 s TYR 241 Cb -0.11 -0.29 0.05 0.00 0.35 0.00 0.00 41.96 41.96 3if9 s TYR 241 CO -0.01 -0.07 0.48 -1.58 -1.34 0.00 0.00 175.55 173.03 3if9 s HIS 242 N 0.53 -0.60 -1.59 4.97 5.65 0.25 0.44 115.29 124.94 3if9 s HIS 242 Ca -0.05 1.37 -0.14 0.00 0.25 0.00 0.00 55.06 56.50 3if9 s HIS 242 Cb -0.08 0.25 0.11 0.00 -1.18 0.00 0.00 32.58 31.67 3if9 s HIS 242 CO -0.01 -0.31 0.80 -3.47 -0.65 0.00 0.00 174.74 171.10 3if9 n ASP 243 N 3.36 -3.31 0.00 9.88 2.03 -1.26 -0.37 116.55 126.88 3if9 n ASP 243 Ca -0.17 -0.92 0.00 0.00 0.52 0.00 0.00 54.79 54.22 3if9 n ASP 243 Cb 0.56 -3.24 0.00 0.00 -0.72 0.00 0.00 41.12 37.72 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 -4.49 0.00 -2.56 -1.67 0.00 -1.26 -5.02 120.51 105.52 3if9 n ALA 244 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 3if9 n ALA 244 Cb 0.54 -0.41 -0.09 0.00 0.00 0.00 0.00 19.45 19.49 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 -1.70 -0.27 -0.16 0.00 -0.85 -0.13 -0.59 117.35 113.66 3if9 s TYR 246 Ca 0.25 0.18 -0.00 0.00 -0.52 0.00 0.00 57.07 56.97 3if9 s TYR 246 Cb -0.09 0.24 0.04 0.00 0.38 0.00 0.00 41.96 42.53 3if9 s TYR 246 CO 0.15 -0.60 -0.07 0.42 -1.52 0.00 0.00 175.55 173.92 3if9 s ILE 247 N -2.74 1.24 -0.27 -3.49 1.01 0.48 -2.59 121.20 114.85 3if9 s ILE 247 Ca -0.04 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 59.91 3if9 s ILE 247 Cb -0.00 -1.36 0.02 0.00 0.01 0.00 0.00 42.46 41.13 3if9 s ILE 247 CO -0.04 0.19 -0.01 -0.69 0.00 0.00 0.00 174.94 174.39 3if9 s VAL 248 N 1.58 3.25 -0.45 2.92 1.01 0.26 -1.06 120.40 127.90 3if9 s VAL 248 Ca 0.01 -0.96 -0.25 0.00 0.00 0.00 0.00 61.98 60.77 3if9 s VAL 248 Cb -0.15 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.57 3if9 s VAL 248 CO -0.08 0.12 0.92 -2.16 0.00 0.00 0.00 175.10 173.90 3if9 s PRO 249 N 1.37 3.55 0.41 2.72 0.04 -1.26 -1.21 135.00 140.62 3if9 s PRO 249 Ca 0.00 0.18 -0.07 0.00 0.04 0.00 0.00 61.00 61.15 3if9 s PRO 249 Cb -0.17 -3.92 -0.05 0.00 0.04 0.00 0.00 34.50 30.40 3if9 s PRO 249 CO -0.02 -1.20 0.73 1.03 0.04 0.00 0.00 177.00 177.58 3if9 s ARG 250 N 3.72 3.66 0.00 4.56 0.52 -0.53 -4.95 118.95 125.93 3if9 s ARG 250 Ca 0.37 0.26 0.08 0.00 -0.52 0.00 0.00 55.73 55.92 3if9 s ARG 250 Cb -0.10 -2.44 0.49 0.00 0.52 0.00 0.00 34.95 33.41 3if9 s ARG 250 CO 0.26 -0.04 0.91 1.63 0.02 0.00 0.00 175.30 178.07 3if9 n LYS 251 N -1.58 0.33 0.02 3.54 5.02 -1.26 -1.83 118.16 122.39 3if9 n LYS 251 Ca 0.01 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.41 3if9 n LYS 251 Cb 0.54 -1.39 -0.10 0.00 -0.02 0.00 0.00 35.03 34.06 3if9 n LYS 251 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3if9 n SER 252 N -0.89 0.37 0.00 4.39 3.41 -1.26 -4.96 113.62 114.68 3if9 n SER 252 Ca 0.06 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3if9 n SER 252 Cb 0.03 1.41 0.00 0.00 -0.26 0.00 0.00 64.21 65.39 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 1.30 0.52 3.86 5.00 0.00 -0.76 -5.05 105.19 110.07 3if9 n GLY 253 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.70 3.84 -0.09 1.61 0.52 -1.25 -0.33 118.95 122.55 3if9 s ARG 254 Ca 0.00 0.62 0.02 0.00 -0.52 0.00 0.00 55.73 55.85 3if9 s ARG 254 Cb 0.00 -2.32 -0.02 0.00 0.52 0.00 0.00 34.95 33.14 3if9 s ARG 254 CO 0.00 -0.10 -0.16 -0.51 0.02 0.00 0.00 175.30 174.55 3if9 s LEU 255 N -3.87 2.58 -0.24 2.53 1.43 0.39 -1.45 118.68 120.04 3if9 s LEU 255 Ca 0.54 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 53.19 3if9 s LEU 255 Cb -0.10 -1.54 -0.05 0.00 0.03 0.00 0.00 46.19 44.53 3if9 s LEU 255 CO 0.31 0.23 0.22 -0.69 0.23 0.00 0.00 176.35 176.65 3if9 s VAL 256 N -0.06 5.31 -0.05 -1.59 1.01 -0.35 -1.27 120.40 123.40 3if9 s VAL 256 Ca -0.04 0.30 0.06 0.00 0.00 0.00 0.00 61.98 62.30 3if9 s VAL 256 Cb -0.14 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 3if9 s VAL 256 CO 0.04 0.29 -0.24 -0.69 0.00 0.00 0.00 175.10 174.50 3if9 s VAL 257 N 1.33 1.98 0.26 2.92 1.01 -0.51 -0.57 120.40 126.82 3if9 s VAL 257 Ca 0.10 -1.03 -0.20 0.00 0.00 0.00 0.00 61.98 60.85 3if9 s VAL 257 Cb -0.14 -1.68 0.06 0.00 0.00 0.00 0.00 36.38 34.62 3if9 s VAL 257 CO 0.07 0.55 0.92 -0.83 0.00 0.00 0.00 175.10 175.81 3if9 s GLY 258 N -0.18 0.15 -0.08 4.51 0.00 -1.07 -1.87 107.32 108.78 3if9 s GLY 258 Ca -0.02 -0.43 -0.26 0.00 0.00 0.00 0.00 44.72 44.01 3if9 s GLY 258 CO 0.03 1.00 0.59 0.00 0.00 0.00 0.00 173.10 174.72 3if9 s ALA 259 N -2.45 -1.51 0.97 3.20 0.00 -1.26 -0.95 121.76 119.75 3if9 s ALA 259 Ca 0.18 1.19 -0.12 0.00 0.00 0.00 0.00 51.96 53.20 3if9 s ALA 259 Cb -0.04 -0.17 0.17 0.00 0.00 0.00 0.00 23.12 23.08 3if9 s ALA 259 CO 0.07 -0.33 1.10 0.95 0.00 0.00 0.00 175.76 177.55 3if9 s THR 260 N -0.94 2.22 -0.17 0.00 -4.23 -1.17 -4.84 115.64 106.51 3if9 s THR 260 Ca -0.10 0.07 -0.03 0.00 -1.18 0.00 0.00 61.69 60.45 3if9 s THR 260 Cb -0.02 -2.58 0.06 0.00 1.34 0.00 0.00 72.50 71.29 3if9 s THR 260 CO 0.07 -0.09 0.05 -0.04 -0.54 0.00 0.00 174.62 174.07 3if9 s MET 261 N -4.99 0.48 -0.40 3.99 -1.94 -1.23 -3.95 119.30 111.26 3if9 s MET 261 Ca 0.65 -0.27 0.01 0.00 -1.71 0.00 0.00 55.69 54.37 3if9 s MET 261 Cb -0.18 -1.90 0.13 0.00 2.01 0.00 0.00 34.83 34.89 3if9 s MET 261 CO 0.57 -0.61 0.20 0.15 -0.01 0.00 0.00 175.02 175.32 3if9 s LYS 262 N 1.95 1.07 0.51 2.03 1.02 -0.48 -4.93 119.74 120.90 3if9 s LYS 262 Ca 0.01 -1.72 -0.21 0.00 0.02 0.00 0.00 55.97 54.07 3if9 s LYS 262 Cb -0.16 -2.12 -0.07 0.00 -0.52 0.00 0.00 37.83 34.96 3if9 s LYS 262 CO -0.08 -1.13 1.14 -1.25 -0.92 0.00 0.00 175.35 173.11 3if9 s PRO 263 N 0.72 3.53 0.00 -1.68 0.04 -1.26 -0.96 135.00 135.39 3if9 s PRO 263 Ca 0.16 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.85 3if9 s PRO 263 Cb -0.23 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.16 3if9 s PRO 263 CO -0.05 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.69 3if9 n GLY 264 N 0.24 2.71 3.60 0.56 0.00 -0.06 -4.93 105.19 107.30 3if9 n GLY 264 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.85 6.41 0.00 1.61 -1.08 -1.22 -4.92 116.67 113.61 3if9 s ASP 265 Ca 0.00 0.39 0.24 0.00 -0.52 0.00 0.00 52.55 52.66 3if9 s ASP 265 Cb 0.00 -2.28 0.21 0.00 -1.46 0.00 0.00 42.92 39.39 3if9 s ASP 265 CO 0.00 -0.34 1.24 0.79 0.52 0.00 0.00 175.17 177.37 3if9 n TRP 266 N 5.61 0.00 -2.12 -5.34 7.02 -1.26 -4.20 117.44 117.15 3if9 n TRP 266 Ca -0.04 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.10 3if9 n TRP 266 Cb 0.49 -0.02 0.01 0.00 -2.42 0.00 0.00 31.31 29.38 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 -2.33 5.70 -0.03 -0.99 1.04 -1.26 -4.98 113.70 110.86 3if9 s SER 267 Ca 0.23 1.98 0.05 0.00 0.48 0.00 0.00 55.95 58.68 3if9 s SER 267 Cb 0.19 -2.56 0.07 0.00 0.10 0.00 0.00 66.02 63.83 3if9 s SER 267 CO 0.48 -1.22 1.04 1.21 0.98 0.00 0.00 173.24 175.73 3if9 n GLU 268 N -1.73 2.62 -4.33 4.02 2.13 -1.26 -4.83 120.64 117.26 3if9 n GLU 268 Ca 0.10 -1.76 -0.20 0.00 0.66 0.00 0.00 57.16 55.96 3if9 n GLU 268 Cb 0.52 -1.12 -0.13 0.00 0.27 0.00 0.00 31.44 30.98 3if9 n GLU 268 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3if9 s THR 269 N -1.43 1.07 0.56 6.31 -4.23 -1.26 -4.16 115.64 112.50 3if9 s THR 269 Ca 0.08 -1.00 -0.20 0.00 -1.18 0.00 0.00 61.69 59.40 3if9 s THR 269 Cb 0.07 -0.98 -0.05 0.00 1.34 0.00 0.00 72.50 72.88 3if9 s THR 269 CO 0.01 -0.02 1.19 -2.16 -0.54 0.00 0.00 174.62 173.11 3if9 s PRO 270 N -1.15 3.20 0.39 3.99 0.04 -1.26 -4.90 135.00 135.30 3if9 s PRO 270 Ca 0.01 1.80 0.08 0.00 0.04 0.00 0.00 61.00 62.93 3if9 s PRO 270 Cb -0.08 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 3if9 s PRO 270 CO 0.01 -1.02 0.33 0.16 0.04 0.00 0.00 177.00 176.52 3if9 s ASP 271 N -1.55 5.04 0.17 6.66 3.84 -1.26 -5.01 116.67 124.56 3if9 s ASP 271 Ca 0.74 -0.71 -0.15 0.00 -0.00 0.00 0.00 52.55 52.43 3if9 s ASP 271 Cb -0.29 -0.67 0.05 0.00 -1.38 0.00 0.00 42.92 40.63 3if9 s ASP 271 CO 0.33 -0.55 1.83 0.25 -0.00 0.00 0.00 175.17 177.03 3if9 h LEU 272 N 1.14 0.56 -0.78 2.11 6.46 -1.99 -2.19 115.31 120.62 3if9 h LEU 272 Ca -0.42 -0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.34 3if9 h LEU 272 Cb 1.26 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 41.01 3if9 h LEU 272 CO 0.59 0.41 0.51 1.23 -0.62 0.00 0.00 178.44 180.56 3if9 h GLY 273 N 0.67 1.12 0.91 3.75 0.00 -1.99 -0.21 103.07 107.32 3if9 h GLY 273 Ca 0.18 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 3if9 h GLY 273 CO -0.04 0.37 -0.19 -1.33 0.00 0.00 0.00 176.54 175.35 3if9 h GLY 274 N 1.03 -0.56 1.22 4.60 0.00 -1.91 -2.37 103.07 105.08 3if9 h GLY 274 Ca 0.30 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.83 3if9 h GLY 274 CO -0.08 -0.20 0.43 1.41 0.00 0.00 0.00 176.54 178.09 3if9 h LEU 275 N -0.63 0.91 -0.19 3.11 3.38 -1.27 -2.30 115.31 118.32 3if9 h LEU 275 Ca -0.05 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.89 3if9 h LEU 275 Cb 0.47 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3if9 h LEU 275 CO 0.09 0.72 -0.04 -0.08 0.09 0.00 0.00 178.44 179.22 3if9 h GLU 276 N 1.04 0.01 -0.65 1.13 4.81 -0.90 -2.21 114.58 117.82 3if9 h GLU 276 Ca 0.27 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.45 3if9 h GLU 276 Cb -0.00 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 3if9 h GLU 276 CO -0.05 0.01 0.23 0.66 -0.73 0.00 0.00 179.01 179.13 3if9 h SER 277 N 0.01 0.89 -1.00 1.04 4.64 -1.00 -1.62 113.55 116.50 3if9 h SER 277 Ca 0.09 -0.14 0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3if9 h SER 277 Cb 0.14 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 61.94 3if9 h SER 277 CO -0.19 0.81 0.66 0.58 -0.87 0.00 0.00 176.83 177.82 3if9 h VAL 278 N 0.94 1.23 -0.47 0.95 2.07 -1.19 -0.04 116.25 119.73 3if9 h VAL 278 Ca 0.22 -0.46 -0.13 0.00 0.82 0.00 0.00 66.70 67.15 3if9 h VAL 278 Cb 0.22 -0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 3if9 h VAL 278 CO -0.01 0.24 -0.22 0.24 0.02 0.00 0.00 177.57 177.84 3if9 h MET 279 N 1.33 0.98 0.57 1.57 2.07 -0.78 -0.92 114.93 119.75 3if9 h MET 279 Ca 0.38 -0.42 -0.03 0.00 -2.07 0.00 0.00 59.70 57.56 3if9 h MET 279 Cb -0.10 -0.03 0.01 0.00 -1.87 0.00 0.00 31.60 29.61 3if9 h MET 279 CO -0.10 1.09 -0.27 -0.22 1.07 0.00 0.00 176.91 178.48 3if9 h LYS 280 N 0.84 -0.74 -0.30 1.72 3.64 -0.87 -2.13 116.57 118.73 3if9 h LYS 280 Ca 0.11 0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.61 3if9 h LYS 280 Cb 0.80 0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.71 3if9 h LYS 280 CO 0.07 -0.45 -0.16 -0.22 -2.27 0.00 0.00 179.45 176.42 3if9 h LYS 281 N -0.88 -0.12 -0.47 1.90 1.63 -1.01 -2.56 116.57 115.06 3if9 h LYS 281 Ca -0.08 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 59.81 3if9 h LYS 281 Cb 0.63 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 32.21 3if9 h LYS 281 CO 0.13 -0.08 0.07 0.00 -3.45 0.00 0.00 179.45 176.12 3if9 h ALA 282 N 1.10 0.50 -0.73 5.00 0.00 -1.08 -1.84 119.26 122.21 3if9 h ALA 282 Ca 0.16 0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.26 3if9 h ALA 282 Cb 0.36 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3if9 h ALA 282 CO -0.37 -0.33 0.48 0.87 0.00 0.00 0.00 179.25 179.89 3if9 h LYS 283 N 0.19 0.66 0.00 0.00 1.57 -0.98 -0.09 116.57 117.92 3if9 h LYS 283 Ca 0.24 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 3if9 h LYS 283 Cb 0.32 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3if9 h LYS 283 CO -0.33 0.44 -0.23 1.79 -0.57 0.00 0.00 179.45 180.55 3if9 h THR 284 N 0.68 0.65 0.11 -0.16 1.35 -1.13 -3.05 112.91 111.36 3if9 h THR 284 Ca 0.33 -1.02 -0.36 0.00 -0.55 0.00 0.00 66.41 64.80 3if9 h THR 284 Cb 0.39 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 3if9 h THR 284 CO -0.11 0.22 -2.03 0.23 -0.25 0.00 0.00 175.52 173.58 3if9 n MET 285 N -3.53 0.75 -3.55 4.72 2.81 -0.22 -4.67 117.12 113.43 3if9 n MET 285 Ca -0.01 0.25 -0.29 0.00 -1.81 0.00 0.00 57.70 55.84 3if9 n MET 285 Cb 0.38 -1.70 -0.13 0.00 -0.71 0.00 0.00 33.22 31.07 3if9 n MET 285 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3if9 s LEU 286 N -6.96 1.45 0.24 4.03 2.96 -0.24 -1.15 118.68 119.02 3if9 s LEU 286 Ca -0.23 -2.15 -0.04 0.00 -0.22 0.00 0.00 54.13 51.49 3if9 s LEU 286 Cb 0.07 -0.59 0.45 0.00 0.50 0.00 0.00 46.19 46.63 3if9 s LEU 286 CO 0.76 -0.32 1.73 -0.65 -1.32 0.00 0.00 176.35 176.55 3if9 h PRO 287 N 7.19 0.43 -0.01 0.98 0.11 -1.69 -1.76 132.00 137.26 3if9 h PRO 287 Ca -0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3if9 h PRO 287 Cb 0.97 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 3if9 h PRO 287 CO 0.35 0.29 0.12 0.00 -0.21 0.00 0.00 178.00 178.55 3if9 h ALA 288 N 1.54 1.14 0.00 -0.75 0.00 -1.87 -2.75 119.26 116.57 3if9 h ALA 288 Ca 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3if9 h ALA 288 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3if9 h ALA 288 CO -0.40 -0.12 0.00 0.97 0.00 0.00 0.00 179.25 179.70 3if9 h ILE 289 N 0.00 0.00 0.00 0.00 2.10 -1.68 -1.85 117.51 116.08 3if9 h ILE 289 Ca 0.00 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.85 3if9 h ILE 289 Cb 0.23 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 36.83 3if9 h ILE 289 CO -0.00 0.00 0.00 0.06 -1.08 0.00 0.00 178.15 177.13 3if9 h GLN 290 N 0.00 0.00 -0.64 2.19 3.07 -1.71 -2.85 115.11 115.17 3if9 h GLN 290 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3if9 h GLN 290 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.67 3if9 h GLN 290 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.01 3if9 n ASN 291 N -2.83 4.93 -4.77 0.06 3.02 -0.69 -4.95 115.26 110.02 3if9 n ASN 291 Ca 0.01 -2.58 -0.35 0.00 -0.03 0.00 0.00 54.58 51.63 3if9 n ASN 291 Cb 0.29 -0.61 -0.08 0.00 -0.61 0.00 0.00 39.78 38.77 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 -2.12 3.15 0.15 3.52 -1.94 -1.08 -5.06 119.30 115.91 3if9 s MET 292 Ca 0.50 -0.33 -0.31 0.00 -1.71 0.00 0.00 55.69 53.85 3if9 s MET 292 Cb 0.34 -2.94 -0.08 0.00 2.01 0.00 0.00 34.83 34.17 3if9 s MET 292 CO 0.21 0.72 1.36 0.15 -0.01 0.00 0.00 175.02 177.45 3if9 s LYS 293 N -1.07 4.35 0.22 2.03 -0.14 -1.26 -4.85 119.74 119.02 3if9 s LYS 293 Ca 0.15 2.06 -0.30 0.00 -1.36 0.00 0.00 55.97 56.53 3if9 s LYS 293 Cb -0.12 -3.23 -0.09 0.00 -1.68 0.00 0.00 37.83 32.72 3if9 s LYS 293 CO 0.05 -0.37 1.25 0.08 -0.76 0.00 0.00 175.35 175.60 3if9 s VAL 294 N 0.73 3.27 -0.08 3.17 1.01 -1.26 -1.67 120.40 125.57 3if9 s VAL 294 Ca 0.61 1.11 -0.10 0.00 0.00 0.00 0.00 61.98 63.60 3if9 s VAL 294 Cb -0.37 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3if9 s VAL 294 CO 0.33 0.19 -0.19 -0.67 0.00 0.00 0.00 175.10 174.77 3if9 n ASP 295 N 2.19 1.26 -4.15 3.32 -0.08 0.28 -4.89 116.55 114.48 3if9 n ASP 295 Ca 0.04 0.20 -0.12 0.00 -1.51 0.00 0.00 54.79 53.40 3if9 n ASP 295 Cb 0.43 -0.56 -0.10 0.00 2.34 0.00 0.00 41.12 43.24 3if9 n ASP 295 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 3if9 s ARG 296 N -2.22 1.23 0.00 -0.67 0.52 -1.18 -4.97 118.95 111.67 3if9 s ARG 296 Ca -0.15 -1.65 -0.05 0.00 -0.52 0.00 0.00 55.73 53.36 3if9 s ARG 296 Cb 0.02 0.28 -0.00 0.00 0.52 0.00 0.00 34.95 35.76 3if9 s ARG 296 CO 0.23 -0.41 0.09 -0.59 0.02 0.00 0.00 175.30 174.65 3if9 s PHE 297 N -4.12 0.08 0.20 -0.53 -0.12 -1.26 -1.39 117.98 110.84 3if9 s PHE 297 Ca 0.39 -0.18 -0.23 0.00 -0.05 0.00 0.00 56.93 56.86 3if9 s PHE 297 Cb 0.07 -0.07 0.06 0.00 -0.63 0.00 0.00 43.02 42.44 3if9 s PHE 297 CO 0.13 -0.24 0.93 1.67 -0.05 0.00 0.00 175.22 177.66 3if9 s TRP 298 N -1.25 -0.06 0.05 3.49 -2.14 -0.18 -4.95 118.94 113.91 3if9 s TRP 298 Ca -0.13 -0.33 -0.13 0.00 2.66 0.00 0.00 56.10 58.16 3if9 s TRP 298 Cb -0.07 0.69 0.02 0.00 -3.10 0.00 0.00 33.47 31.00 3if9 s TRP 298 CO 0.01 -0.98 0.29 0.00 -2.66 0.00 0.00 176.95 173.61 3if9 s ALA 299 N -2.98 -0.64 0.07 2.67 0.00 -1.26 -0.03 121.76 119.59 3if9 s ALA 299 Ca 0.15 -0.06 -0.15 0.00 0.00 0.00 0.00 51.96 51.90 3if9 s ALA 299 Cb -0.03 0.34 0.03 0.00 0.00 0.00 0.00 23.12 23.46 3if9 s ALA 299 CO 0.05 -0.42 0.35 0.20 0.00 0.00 0.00 175.76 175.93 3if9 s GLY 300 N -2.14 -0.18 -0.40 0.00 0.00 -0.25 -4.71 107.32 99.64 3if9 s GLY 300 Ca -0.04 0.02 -0.11 0.00 0.00 0.00 0.00 44.72 44.59 3if9 s GLY 300 CO -0.04 -0.22 0.25 1.08 0.00 0.00 0.00 173.10 174.16 3if9 s LEU 301 N -2.30 4.98 0.15 0.66 1.43 -1.26 -0.24 118.68 122.09 3if9 s LEU 301 Ca -0.02 -1.23 -0.31 0.00 -1.03 0.00 0.00 54.13 51.54 3if9 s LEU 301 Cb 0.00 -2.03 -0.09 0.00 0.03 0.00 0.00 46.19 44.11 3if9 s LEU 301 CO -0.06 -0.47 1.44 -0.13 0.23 0.00 0.00 176.35 177.36 3if9 s ARG 302 N 1.51 4.29 -1.04 1.70 0.52 -0.10 -4.74 118.95 121.10 3if9 s ARG 302 Ca 0.02 2.18 -0.23 0.00 -0.52 0.00 0.00 55.73 57.19 3if9 s ARG 302 Cb -0.21 -3.20 0.03 0.00 0.52 0.00 0.00 34.95 32.09 3if9 s ARG 302 CO 0.05 -0.47 1.57 -1.25 0.02 0.00 0.00 175.30 175.22 3if9 s PRO 303 N 0.88 3.45 0.73 3.54 0.04 -1.26 -0.40 135.00 141.99 3if9 s PRO 303 Ca 0.65 -1.10 -0.11 0.00 0.04 0.00 0.00 61.00 60.48 3if9 s PRO 303 Cb -0.39 -5.33 0.03 0.00 0.04 0.00 0.00 34.50 28.85 3if9 s PRO 303 CO 0.32 -2.44 1.08 0.20 0.04 0.00 0.00 177.00 176.20 3if9 s GLY 304 N 5.40 1.69 0.04 0.56 0.00 0.55 -4.02 107.32 111.54 3if9 s GLY 304 Ca 0.51 0.20 -0.00 0.00 0.00 0.00 0.00 44.72 45.43 3if9 s GLY 304 CO -0.06 0.53 -0.04 -0.51 0.00 0.00 0.00 173.10 173.02 3if9 s THR 305 N -2.94 0.25 0.39 0.90 -4.23 -1.26 -2.86 115.64 105.89 3if9 s THR 305 Ca 0.60 -1.45 0.13 0.00 -1.18 0.00 0.00 61.69 59.79 3if9 s THR 305 Cb -0.16 -1.02 0.34 0.00 1.34 0.00 0.00 72.50 73.00 3if9 s THR 305 CO 0.55 -0.76 1.88 0.11 -0.54 0.00 0.00 174.62 175.86 3if9 h LYS 306 N 3.76 0.54 -0.01 3.99 1.57 -1.91 -1.05 116.57 123.45 3if9 h LYS 306 Ca -0.34 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3if9 h LYS 306 Cb 1.17 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.36 3if9 h LYS 306 CO 0.55 0.35 -0.31 -0.40 -0.57 0.00 0.00 179.45 179.07 3if9 n ASP 307 N -4.53 1.92 0.00 0.86 3.85 -1.26 -5.00 116.55 112.39 3if9 n ASP 307 Ca 0.17 -1.46 0.00 0.00 -0.71 0.00 0.00 54.79 52.79 3if9 n ASP 307 Cb 0.53 0.39 0.00 0.00 -1.35 0.00 0.00 41.12 40.68 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 1.21 0.72 3.72 6.12 0.00 -0.40 -5.04 105.19 111.52 3if9 n GLY 308 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.21 2.74 1.27 1.61 -0.14 -1.26 -4.72 119.74 119.04 3if9 s LYS 309 Ca 0.00 -0.71 -0.16 0.00 -1.36 0.00 0.00 55.97 53.74 3if9 s LYS 309 Cb 0.00 -2.65 0.33 0.00 -1.68 0.00 0.00 37.83 33.82 3if9 s LYS 309 CO 0.00 0.58 0.98 -1.25 -0.76 0.00 0.00 175.35 174.90 3if9 s PRO 310 N -2.10 -1.77 -0.41 -1.68 0.04 -1.19 -4.76 135.00 123.13 3if9 s PRO 310 Ca 0.25 0.64 -0.03 0.00 0.04 0.00 0.00 61.00 61.90 3if9 s PRO 310 Cb -0.12 -1.47 0.11 0.00 0.04 0.00 0.00 34.50 33.06 3if9 s PRO 310 CO 0.17 -4.24 0.21 0.71 0.04 0.00 0.00 177.00 173.89 3if9 s TYR 311 N -2.34 3.57 -0.17 0.56 1.51 0.28 -4.71 117.35 116.04 3if9 s TYR 311 Ca 0.69 -2.37 0.01 0.00 -1.01 0.00 0.00 57.07 54.38 3if9 s TYR 311 Cb -0.22 -3.21 0.03 0.00 -0.11 0.00 0.00 41.96 38.45 3if9 s TYR 311 CO 0.64 -0.97 -0.12 0.42 -1.11 0.00 0.00 175.55 174.40 3if9 s ILE 312 N 1.16 1.62 -5.00 2.71 1.01 -0.57 -1.58 121.20 120.55 3if9 s ILE 312 Ca 0.08 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.89 3if9 s ILE 312 Cb -0.23 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.63 3if9 s ILE 312 CO -0.04 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.83 3if9 n GLY 313 N 4.72 -0.28 3.83 6.18 0.00 -0.55 -4.14 105.19 114.95 3if9 n GLY 313 Ca -0.16 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 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 4.14 0.16 1.61 0.52 -1.26 -0.93 118.95 121.18 3if9 s ARG 314 Ca 0.00 0.94 -0.32 0.00 -0.52 0.00 0.00 55.73 55.83 3if9 s ARG 314 Cb 0.00 -2.29 -0.12 0.00 0.52 0.00 0.00 34.95 33.07 3if9 s ARG 314 CO 0.00 0.05 1.77 1.58 0.02 0.00 0.00 175.30 178.72 3if9 n HIS 315 N -0.52 2.64 -0.22 -0.53 -0.00 0.83 -4.54 115.22 112.88 3if9 n HIS 315 Ca 0.06 -0.03 0.02 0.00 -0.00 0.00 0.00 57.72 57.77 3if9 n HIS 315 Cb 0.54 -2.69 0.14 0.00 -0.00 0.00 0.00 29.99 27.97 3if9 n HIS 315 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3if9 h PRO 316 N 7.57 0.34 0.00 1.57 0.11 -1.96 -2.51 132.00 137.13 3if9 h PRO 316 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3if9 h PRO 316 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3if9 h PRO 316 CO 0.95 0.23 -0.27 0.39 -0.21 0.00 0.00 178.00 179.08 3if9 n GLU 317 N -5.06 0.27 -3.65 1.05 4.71 -1.26 -4.80 120.64 111.90 3if9 n GLU 317 Ca 0.11 0.16 -0.21 0.00 -0.01 0.00 0.00 57.16 57.21 3if9 n GLU 317 Cb 0.35 -1.75 -0.17 0.00 -1.01 0.00 0.00 31.44 28.85 3if9 n GLU 317 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3if9 s ASP 318 N -4.38 1.36 0.00 1.62 -1.08 -0.94 -5.01 116.67 108.24 3if9 s ASP 318 Ca 0.09 -0.05 0.28 0.00 -0.52 0.00 0.00 52.55 52.35 3if9 s ASP 318 Cb 0.13 -0.09 1.59 0.00 -1.46 0.00 0.00 42.92 43.09 3if9 s ASP 318 CO 0.65 -0.27 2.00 -1.54 0.52 0.00 0.00 175.17 176.52 3if9 n SER 319 N 5.30 0.00 0.09 -0.34 3.41 -1.26 -2.77 113.62 118.05 3if9 n SER 319 Ca -0.04 -0.64 0.12 0.00 -0.26 0.00 0.00 58.87 58.05 3if9 n SER 319 Cb 0.50 -0.09 0.01 0.00 -0.26 0.00 0.00 64.21 64.37 3if9 n SER 319 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3if9 n ARG 320 N -1.09 0.56 -3.72 4.33 1.74 -1.26 -4.82 116.66 112.40 3if9 n ARG 320 Ca 0.19 0.10 -0.37 0.00 -0.77 0.00 0.00 57.85 57.00 3if9 n ARG 320 Cb 0.13 -1.79 -0.12 0.00 -1.02 0.00 0.00 32.46 29.67 3if9 n ARG 320 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3if9 s ILE 321 N -3.35 4.76 0.19 0.55 1.01 -1.11 -2.02 121.20 121.23 3if9 s ILE 321 Ca -0.00 -0.02 0.10 0.00 0.00 0.00 0.00 60.65 60.73 3if9 s ILE 321 Cb 0.10 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 3if9 s ILE 321 CO 0.79 0.32 -0.18 -0.76 0.00 0.00 0.00 174.94 175.11 3if9 s LEU 322 N 1.51 2.66 -0.01 2.97 1.02 -0.31 -0.12 118.68 126.39 3if9 s LEU 322 Ca 0.06 -0.75 0.04 0.00 0.02 0.00 0.00 54.13 53.51 3if9 s LEU 322 Cb -0.15 -1.37 -0.01 0.00 0.02 0.00 0.00 46.19 44.67 3if9 s LEU 322 CO 0.06 0.11 -0.13 -0.36 0.02 0.00 0.00 176.35 176.05 3if9 s PHE 323 N -1.68 1.20 -0.43 0.29 0.40 -0.11 -0.60 117.98 117.04 3if9 s PHE 323 Ca 0.22 -0.23 0.06 0.00 -0.60 0.00 0.00 56.93 56.38 3if9 s PHE 323 Cb -0.08 -0.77 0.19 0.00 0.51 0.00 0.00 43.02 42.88 3if9 s PHE 323 CO 0.12 -0.02 0.49 0.00 0.70 0.00 0.00 175.22 176.52 3if9 n ALA 324 N 2.71 1.52 -2.82 5.36 0.00 -0.12 -1.48 120.51 125.68 3if9 n ALA 324 Ca -0.14 -2.62 -0.10 0.00 0.00 0.00 0.00 53.44 50.57 3if9 n ALA 324 Cb 0.55 -0.95 -0.08 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.33 0.00 0.00 0.00 -0.61 -4.50 121.76 116.33 3if9 s ALA 325 Ca 0.33 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.96 3if9 s ALA 325 Cb 0.07 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.49 3if9 s ALA 325 CO -0.16 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.64 3if9 n GLY 326 N 0.61 1.02 3.68 0.00 0.00 -1.26 0.98 105.19 110.22 3if9 n GLY 326 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 1.99 0.00 1.61 3.76 -1.26 -3.17 115.29 116.23 3if9 s HIS 327 Ca 0.00 -0.07 0.00 0.00 -0.15 0.00 0.00 55.06 54.84 3if9 s HIS 327 Cb 0.00 -4.17 0.00 0.00 1.11 0.00 0.00 32.58 29.52 3if9 s HIS 327 CO 0.00 -4.89 0.00 0.34 -0.85 0.00 0.00 174.74 169.34 3if9 n PHE 328 N 6.08 0.00 -0.30 1.40 7.35 -1.26 -3.98 117.46 126.75 3if9 n PHE 328 Ca 0.18 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.97 3if9 n PHE 328 Cb 0.39 0.00 0.32 0.00 0.35 0.00 0.00 39.48 40.54 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 -0.54 3.00 -0.09 -4.13 1.74 -1.26 -4.46 116.66 110.92 3if9 n ARG 329 Ca 0.00 -2.56 0.01 0.00 -0.77 0.00 0.00 57.85 54.53 3if9 n ARG 329 Cb 0.00 -1.67 0.01 0.00 -1.02 0.00 0.00 32.46 29.78 3if9 n ARG 329 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3if9 n ASN 330 N 1.32 0.55 0.18 0.55 3.02 -1.26 -4.82 115.26 114.79 3if9 n ASN 330 Ca 0.24 -1.50 0.16 0.00 -0.03 0.00 0.00 54.58 53.44 3if9 n ASN 330 Cb 0.69 -0.06 0.77 0.00 -0.61 0.00 0.00 39.78 40.57 3if9 n ASN 330 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3if9 h GLY 331 N 0.00 0.00 0.13 7.41 0.00 -1.81 0.12 103.07 108.92 3if9 h GLY 331 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3if9 h GLY 331 CO 0.00 0.00 -0.02 -2.22 0.00 0.00 0.00 176.54 174.30 3if9 h ILE 332 N 0.00 1.24 -0.32 2.60 1.08 -1.90 -2.30 117.51 117.91 3if9 h ILE 332 Ca 0.10 -1.73 0.07 0.00 -0.39 0.00 0.00 64.86 62.92 3if9 h ILE 332 Cb 0.49 2.26 -0.08 0.00 -3.07 0.00 0.00 36.82 36.42 3if9 h ILE 332 CO -0.00 0.39 -0.24 0.25 -0.69 0.00 0.00 178.15 177.85 3if9 h LEU 333 N -0.92 -0.80 -0.04 1.44 5.85 -1.64 -2.63 115.31 116.58 3if9 h LEU 333 Ca -0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3if9 h LEU 333 Cb 0.67 0.39 0.00 0.00 0.37 0.00 0.00 40.66 42.09 3if9 h LEU 333 CO 0.01 -0.27 -0.03 0.18 -0.34 0.00 0.00 178.44 177.98 3if9 n LEU 334 N -5.39 0.09 -0.06 2.25 4.77 0.37 -4.36 117.00 114.67 3if9 n LEU 334 Ca 0.00 0.26 -0.08 0.00 -0.03 0.00 0.00 56.01 56.17 3if9 n LEU 334 Cb 0.30 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3if9 n LEU 334 CO 0.12 0.02 0.87 0.00 -1.33 0.00 0.00 177.39 177.07 3if9 h ALA 335 N 3.38 0.23 -0.52 -1.18 0.00 -1.01 -0.35 119.26 119.81 3if9 h ALA 335 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3if9 h ALA 335 Cb 0.34 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3if9 h ALA 335 CO 0.00 -0.40 0.28 -1.35 0.00 0.00 0.00 179.25 177.77 3if9 h PRO 336 N 0.10 0.71 0.06 0.00 0.11 -1.80 -0.53 132.00 130.66 3if9 h PRO 336 Ca 0.12 -0.07 -0.24 0.00 0.11 0.00 0.00 66.00 65.91 3if9 h PRO 336 Cb 0.14 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3if9 h PRO 336 CO -0.19 0.53 -1.08 0.00 -0.21 0.00 0.00 178.00 177.06 3if9 h ALA 337 N 1.59 0.26 -0.68 -0.75 0.00 -1.74 -2.07 119.26 115.87 3if9 h ALA 337 Ca 0.19 -0.81 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 3if9 h ALA 337 Cb 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3if9 h ALA 337 CO -0.03 0.93 0.14 1.15 0.00 0.00 0.00 179.25 181.44 3if9 h THR 338 N 0.12 1.26 -0.36 0.00 2.02 -0.89 -1.16 112.91 113.90 3if9 h THR 338 Ca -0.09 -1.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.06 3if9 h THR 338 Cb 1.76 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 3if9 h THR 338 CO 0.18 0.38 0.11 1.23 0.37 0.00 0.00 175.52 177.78 3if9 h GLY 339 N 1.03 0.61 0.96 2.16 0.00 -1.10 -2.09 103.07 104.63 3if9 h GLY 339 Ca 0.21 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 3if9 h GLY 339 CO 0.01 0.34 0.12 0.00 0.00 0.00 0.00 176.54 177.01 3if9 h ALA 340 N 0.95 0.60 0.15 3.60 0.00 -1.31 -1.87 119.26 121.38 3if9 h ALA 340 Ca 0.12 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3if9 h ALA 340 Cb 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3if9 h ALA 340 CO -0.00 0.27 -0.18 1.25 0.00 0.00 0.00 179.25 180.59 3if9 h LEU 341 N 0.60 -0.48 -0.61 0.00 5.85 -1.14 0.31 115.31 119.84 3if9 h LEU 341 Ca 0.14 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.93 3if9 h LEU 341 Cb 0.30 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 3if9 h LEU 341 CO -0.00 -0.26 0.39 0.40 -0.34 0.00 0.00 178.44 178.62 3if9 h ILE 342 N -0.37 1.11 0.67 4.05 1.08 -1.44 -0.20 117.51 122.41 3if9 h ILE 342 Ca 0.01 -0.26 -0.03 0.00 -0.39 0.00 0.00 64.86 64.19 3if9 h ILE 342 Cb 0.36 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.37 3if9 h ILE 342 CO -0.06 0.14 -0.50 -1.28 -0.69 0.00 0.00 178.15 175.76 3if9 h SER 343 N 0.77 -1.31 -0.65 1.72 0.87 -0.95 -2.09 113.55 111.92 3if9 h SER 343 Ca 0.23 0.09 0.14 0.00 -1.23 0.00 0.00 61.79 61.02 3if9 h SER 343 Cb -0.03 0.40 -0.11 0.00 -0.44 0.00 0.00 62.40 62.23 3if9 h SER 343 CO -0.08 -0.72 0.03 0.44 -0.53 0.00 0.00 176.83 175.97 3if9 h ASP 344 N -1.12 -0.24 -0.53 6.23 3.32 -0.27 -0.56 116.42 123.25 3if9 h ASP 344 Ca -0.09 0.16 0.07 0.00 0.02 0.00 0.00 57.03 57.19 3if9 h ASP 344 Cb 0.93 0.27 -0.06 0.00 0.22 0.00 0.00 39.33 40.69 3if9 h ASP 344 CO 0.03 -0.11 0.21 -0.07 -1.72 0.00 0.00 179.24 177.58 3if9 h LEU 345 N 0.14 0.24 -0.43 1.55 3.38 -0.87 0.15 115.31 119.46 3if9 h LEU 345 Ca 0.34 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.32 3if9 h LEU 345 Cb 0.57 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3if9 h LEU 345 CO -0.54 0.16 0.09 0.40 0.09 0.00 0.00 178.44 178.64 3if9 h ILE 346 N 0.40 1.24 0.00 1.22 2.04 -0.62 -1.26 117.51 120.53 3if9 h ILE 346 Ca 0.25 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3if9 h ILE 346 Cb 0.25 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3if9 h ILE 346 CO -0.24 0.30 0.00 0.23 0.00 0.00 0.00 178.15 178.44 3if9 n MET 347 N -4.51 0.61 -2.20 2.37 2.81 -0.30 -4.85 117.12 111.05 3if9 n MET 347 Ca 0.00 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.74 3if9 n MET 347 Cb 0.22 -1.32 -0.02 0.00 -0.71 0.00 0.00 33.22 31.40 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 -0.82 -4.33 -4.63 7.83 3.02 -0.48 -4.99 115.26 110.87 3if9 n ASN 348 Ca 0.09 0.19 -0.29 0.00 -0.03 0.00 0.00 54.58 54.55 3if9 n ASN 348 Cb 0.04 -3.72 0.18 0.00 -0.61 0.00 0.00 39.78 35.68 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 -4.63 0.27 0.06 3.52 1.02 -0.05 -5.00 119.74 114.93 3if9 s LYS 349 Ca 0.00 0.44 -0.26 0.00 0.02 0.00 0.00 55.97 56.17 3if9 s LYS 349 Cb 0.00 -1.73 -0.06 0.00 -0.52 0.00 0.00 37.83 35.53 3if9 s LYS 349 CO 0.00 -2.82 0.79 -2.00 -0.92 0.00 0.00 175.35 170.40 3if9 s GLU 350 N -5.01 4.52 0.07 1.68 2.12 -1.26 -4.68 118.70 116.15 3if9 s GLU 350 Ca 0.66 1.12 0.08 0.00 0.36 0.00 0.00 54.97 57.18 3if9 s GLU 350 Cb -0.18 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 30.82 3if9 s GLU 350 CO 0.57 0.29 -0.21 0.14 -0.54 0.00 0.00 175.26 175.51 3if9 s VAL 351 N -0.09 1.69 -0.35 3.70 -7.23 -1.26 -5.03 120.40 111.83 3if9 s VAL 351 Ca 0.39 -1.35 -0.39 0.00 -1.81 0.00 0.00 61.98 58.82 3if9 s VAL 351 Cb -0.21 -1.50 -0.15 0.00 0.56 0.00 0.00 36.38 35.08 3if9 s VAL 351 CO 0.24 0.09 1.97 -3.20 -0.31 0.00 0.00 175.10 173.88 3if9 n ASN 352 N 1.50 1.96 0.22 4.85 4.05 -1.26 -4.81 115.26 121.77 3if9 n ASN 352 Ca -0.18 0.78 0.07 0.00 0.45 0.00 0.00 54.58 55.69 3if9 n ASN 352 Cb 0.53 -1.13 0.53 0.00 1.23 0.00 0.00 39.78 40.94 3if9 n ASN 352 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 177.26 175.77 3if9 h GLN 353 N 9.27 0.00 -0.13 1.20 1.08 -1.99 -2.85 115.11 121.69 3if9 h GLN 353 Ca -0.33 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.86 3if9 h GLN 353 Cb 1.34 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.76 3if9 h GLN 353 CO 1.01 0.23 0.04 -0.44 -0.95 0.00 0.00 178.83 178.71 3if9 h ASP 354 N 0.00 0.19 0.27 1.46 3.32 -2.00 -2.16 116.42 117.50 3if9 h ASP 354 Ca -0.00 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 3if9 h ASP 354 Cb 0.47 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3if9 h ASP 354 CO 0.03 0.35 -0.13 -0.50 -1.72 0.00 0.00 179.24 177.27 3if9 h TRP 355 N 0.01 -0.33 -0.85 4.55 6.55 -1.88 0.62 115.95 124.62 3if9 h TRP 355 Ca 0.04 -0.01 0.19 0.00 0.95 0.00 0.00 58.89 60.06 3if9 h TRP 355 Cb 0.23 0.11 -0.16 0.00 -0.86 0.00 0.00 29.16 28.49 3if9 h TRP 355 CO 0.00 -0.02 -0.13 1.25 -1.05 0.00 0.00 178.44 178.49 3if9 h LEU 356 N -0.66 -0.65 -0.08 -4.49 5.85 -1.58 -1.27 115.31 112.42 3if9 h LEU 356 Ca -0.04 0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3if9 h LEU 356 Cb 0.46 0.48 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 3if9 h LEU 356 CO 0.06 -0.27 -0.00 -0.74 -0.34 0.00 0.00 178.44 177.15 3if9 h HIS 357 N 0.02 0.15 -0.37 1.25 2.76 -1.06 -2.16 115.15 115.74 3if9 h HIS 357 Ca 0.44 -0.03 0.11 0.00 -2.20 0.00 0.00 60.37 58.69 3if9 h HIS 357 Cb 0.74 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.64 3if9 h HIS 357 CO -0.59 0.41 0.28 0.00 -1.30 0.00 0.00 177.93 176.73 3if9 h ALA 358 N 0.72 2.29 -0.14 5.26 0.00 0.20 -2.63 119.26 124.95 3if9 h ALA 358 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3if9 h ALA 358 Cb 0.35 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3if9 h ALA 358 CO 0.00 -0.48 0.00 1.19 0.00 0.00 0.00 179.25 179.97 3if9 n PHE 359 N -4.29 0.23 -1.10 0.00 0.99 -0.61 -4.95 117.46 107.73 3if9 n PHE 359 Ca 0.06 -0.58 -0.34 0.00 -0.00 0.00 0.00 57.45 56.59 3if9 n PHE 359 Cb 0.47 -0.07 0.11 0.00 -1.00 0.00 0.00 39.48 38.99 3if9 n PHE 359 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.76 179.65 3if9 n ARG 360 N -0.23 0.15 0.18 -1.08 1.85 -0.82 -1.52 116.66 115.19 3if9 n ARG 360 Ca 0.07 0.12 0.06 0.00 -1.00 0.00 0.00 57.85 57.10 3if9 n ARG 360 Cb 0.40 -2.22 0.23 0.00 -1.05 0.00 0.00 32.46 29.82 3if9 n ARG 360 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 3if9 h ILE 361 N -0.86 0.77 -3.56 8.89 5.03 -1.86 -3.41 117.51 122.50 3if9 h ILE 361 Ca -0.46 -1.70 -0.71 0.00 -0.12 0.00 0.00 64.86 61.87 3if9 h ILE 361 Cb 1.31 2.10 -0.33 0.00 -3.03 0.00 0.00 36.82 36.86 3if9 h ILE 361 CO 0.44 0.37 -0.30 -0.62 -0.68 0.00 0.00 178.15 177.35 3if9 s ASP 362 N -6.37 5.54 -0.35 1.72 3.68 -1.26 -4.97 116.67 114.66 3if9 s ASP 362 Ca 0.02 -2.67 0.04 0.00 2.13 0.00 0.00 52.55 52.07 3if9 s ASP 362 Cb 0.09 -1.93 0.10 0.00 -1.45 0.00 0.00 42.92 39.74 3if9 s ASP 362 CO 0.70 -0.45 0.07 -0.13 0.13 0.00 0.00 175.17 175.49 3if9 s ARG 363 N 0.21 1.48 0.00 4.34 0.52 -1.26 -5.17 118.95 119.06 3if9 s ARG 363 Ca 0.15 -1.89 0.23 0.00 -0.52 0.00 0.00 55.73 53.70 3if9 s ARG 363 Cb -0.19 -3.16 0.19 0.00 0.52 0.00 0.00 34.95 32.30 3if9 s ARG 363 CO -0.04 -0.95 1.24 1.63 0.02 0.00 0.00 175.30 177.20