#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 -2.01 -0.00 2.12 5.02 -1.26 -5.00 118.16 117.03 3if9 n LYS 2 Ca 0.00 -1.76 0.06 0.00 -2.02 0.00 0.00 58.31 54.59 3if9 n LYS 2 Cb 0.00 -1.37 -0.13 0.00 -0.02 0.00 0.00 35.03 33.50 3if9 n LYS 2 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3if9 n ARG 3 N -4.04 0.65 -3.88 1.97 0.63 -1.26 -4.89 116.66 105.84 3if9 n ARG 3 Ca 0.15 -0.08 -0.11 0.00 -0.92 0.00 0.00 57.85 56.89 3if9 n ARG 3 Cb 0.54 -1.59 -0.10 0.00 0.45 0.00 0.00 32.46 31.75 3if9 n ARG 3 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3if9 s HIS 4 N -3.26 0.05 0.05 -0.14 5.04 -1.26 -1.74 115.29 114.02 3if9 s HIS 4 Ca -0.07 -0.15 -0.01 0.00 -1.54 0.00 0.00 55.06 53.29 3if9 s HIS 4 Cb 0.11 -0.06 -0.04 0.00 0.04 0.00 0.00 32.58 32.64 3if9 s HIS 4 CO 0.87 -0.27 -0.03 0.71 -2.34 0.00 0.00 174.74 173.67 3if9 s TYR 5 N -1.34 0.49 0.13 3.88 1.51 -0.25 -4.94 117.35 116.83 3if9 s TYR 5 Ca -0.14 -0.92 -0.10 0.00 -1.01 0.00 0.00 57.07 54.90 3if9 s TYR 5 Cb -0.08 -0.35 -0.08 0.00 -0.11 0.00 0.00 41.96 41.34 3if9 s TYR 5 CO 0.01 -0.31 1.37 0.93 -1.11 0.00 0.00 175.55 176.43 3if9 h GLU 6 N 3.51 0.74 -4.01 -0.62 5.08 -1.46 -2.63 114.58 115.18 3if9 h GLU 6 Ca -0.34 -0.56 -0.30 0.00 -1.00 0.00 0.00 59.36 57.16 3if9 h GLU 6 Cb 1.16 0.10 -0.30 0.00 0.50 0.00 0.00 28.75 30.22 3if9 h GLU 6 CO 0.60 1.18 -0.74 0.00 -1.00 0.00 0.00 179.01 179.04 3if9 s ALA 7 N -3.83 0.29 -0.11 3.43 0.00 -1.09 -1.23 121.76 119.21 3if9 s ALA 7 Ca -0.09 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.80 3if9 s ALA 7 Cb 0.09 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.11 3if9 s ALA 7 CO 0.89 0.04 -0.14 0.08 0.00 0.00 0.00 175.76 176.63 3if9 s VAL 8 N 0.16 1.39 -0.24 0.00 1.01 0.03 -1.30 120.40 121.45 3if9 s VAL 8 Ca -0.01 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 3if9 s VAL 8 Cb -0.04 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 3if9 s VAL 8 CO -0.00 0.42 0.06 -0.69 0.00 0.00 0.00 175.10 174.89 3if9 s VAL 9 N 1.10 4.24 -0.46 2.92 1.01 0.97 -0.15 120.40 130.05 3if9 s VAL 9 Ca -0.05 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 61.58 3if9 s VAL 9 Cb -0.14 -2.98 0.05 0.00 0.00 0.00 0.00 36.38 33.31 3if9 s VAL 9 CO -0.03 0.35 0.40 -0.63 0.00 0.00 0.00 175.10 175.19 3if9 s ILE 10 N 1.54 5.20 0.00 2.22 1.01 0.20 -0.16 121.20 131.21 3if9 s ILE 10 Ca 0.06 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3if9 s ILE 10 Cb -0.15 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.24 3if9 s ILE 10 CO 0.03 -0.52 0.00 0.61 0.00 0.00 0.00 174.94 175.06 3if9 n GLY 11 N 5.18 3.93 1.80 6.18 0.00 -0.05 0.49 105.19 122.72 3if9 n GLY 11 Ca -0.11 -1.31 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.01 4.99 0.00 -0.02 0.00 -1.26 -4.10 105.19 104.79 3if9 n GLY 12 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.70 -0.90 0.19 -0.02 0.00 -1.26 -0.93 105.19 101.56 3if9 n GLY 13 Ca 0.30 -1.58 -0.02 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.09 1.33 0.59 -0.61 2.10 -1.93 -1.77 117.51 117.13 3if9 h ILE 14 Ca 0.00 -1.61 -0.03 0.00 1.08 0.00 0.00 64.86 64.30 3if9 h ILE 14 Cb 0.00 1.75 0.01 0.00 -1.09 0.00 0.00 36.82 37.49 3if9 h ILE 14 CO 0.00 0.48 -0.28 0.40 -1.08 0.00 0.00 178.15 177.66 3if9 h ILE 15 N 0.18 0.25 -0.93 2.19 1.08 -1.91 -1.47 117.51 116.90 3if9 h ILE 15 Ca 0.01 -0.35 0.03 0.00 -0.39 0.00 0.00 64.86 64.16 3if9 h ILE 15 Cb 0.87 0.34 -0.05 0.00 -3.07 0.00 0.00 36.82 34.91 3if9 h ILE 15 CO 0.07 0.03 0.61 1.23 -0.69 0.00 0.00 178.15 179.40 3if9 h GLY 16 N -1.06 1.35 0.75 5.37 0.00 -1.70 -1.07 103.07 106.71 3if9 h GLY 16 Ca -0.08 -0.47 0.03 0.00 0.00 0.00 0.00 47.33 46.81 3if9 h GLY 16 CO 0.13 0.41 0.03 1.76 0.00 0.00 0.00 176.54 178.87 3if9 h SER 17 N 1.19 -0.01 -0.75 0.19 0.02 -1.30 0.12 113.55 113.02 3if9 h SER 17 Ca 0.37 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.37 3if9 h SER 17 Cb -0.02 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 3if9 h SER 17 CO -0.11 0.02 0.48 0.00 -1.14 0.00 0.00 176.83 176.08 3if9 h ALA 18 N 1.15 0.97 -0.09 3.77 0.00 -0.89 -2.00 119.26 122.17 3if9 h ALA 18 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3if9 h ALA 18 Cb 0.10 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3if9 h ALA 18 CO -0.13 0.30 0.03 0.82 0.00 0.00 0.00 179.25 180.26 3if9 h ILE 19 N 0.95 1.18 -0.87 0.00 2.04 -0.43 -2.09 117.51 118.30 3if9 h ILE 19 Ca 0.29 -0.56 0.17 0.00 1.00 0.00 0.00 64.86 65.76 3if9 h ILE 19 Cb -0.03 1.38 -0.10 0.00 -0.74 0.00 0.00 36.82 37.33 3if9 h ILE 19 CO -0.09 0.16 0.44 0.00 0.00 0.00 0.00 178.15 178.66 3if9 h ALA 20 N 0.83 1.35 0.29 1.87 0.00 -0.55 -1.88 119.26 121.17 3if9 h ALA 20 Ca 0.03 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3if9 h ALA 20 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3if9 h ALA 20 CO -0.00 -0.14 -0.14 -0.92 0.00 0.00 0.00 179.25 178.05 3if9 h TYR 21 N 0.59 -0.36 -0.28 0.00 3.20 -0.71 -0.86 116.97 118.55 3if9 h TYR 21 Ca 0.50 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.26 3if9 h TYR 21 Cb 0.77 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 3if9 h TYR 21 CO -0.09 -0.17 -0.22 1.88 -1.64 0.00 0.00 178.16 177.91 3if9 h TYR 22 N -0.46 0.58 -0.41 -3.82 -1.99 -1.02 -0.93 116.97 108.92 3if9 h TYR 22 Ca -0.04 -0.12 -0.04 0.00 2.00 0.00 0.00 58.73 60.53 3if9 h TYR 22 Cb 0.35 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 38.91 3if9 h TYR 22 CO -0.04 0.71 0.10 -0.07 -0.00 0.00 0.00 178.16 178.87 3if9 h LEU 23 N 0.47 0.62 -0.34 3.88 3.38 -1.21 -2.03 115.31 120.08 3if9 h LEU 23 Ca 0.07 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3if9 h LEU 23 Cb 0.64 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3if9 h LEU 23 CO 0.05 0.69 0.08 0.00 0.09 0.00 0.00 178.44 179.34 3if9 h ALA 24 N 0.96 0.45 -0.95 1.53 0.00 -0.66 -0.87 119.26 119.71 3if9 h ALA 24 Ca 0.13 -0.18 0.27 0.00 0.00 0.00 0.00 54.91 55.13 3if9 h ALA 24 Cb 0.31 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3if9 h ALA 24 CO 0.00 0.13 0.68 -0.22 0.00 0.00 0.00 179.25 179.84 3if9 h LYS 25 N 0.40 0.04 -0.07 0.00 3.64 -1.07 0.28 116.57 119.79 3if9 h LYS 25 Ca 0.11 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3if9 h LYS 25 Cb 0.31 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3if9 h LYS 25 CO 0.00 0.03 0.00 0.39 -2.27 0.00 0.00 179.45 177.60 3if9 n GLU 26 N -4.28 1.55 -1.00 1.90 -0.58 -0.36 -4.92 120.64 112.95 3if9 n GLU 26 Ca 0.20 -0.81 -0.00 0.00 -0.42 0.00 0.00 57.16 56.13 3if9 n GLU 26 Cb 1.00 -1.43 -0.00 0.00 -0.57 0.00 0.00 31.44 30.44 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 0.01 -4.10 -4.66 1.62 3.02 0.98 -4.99 115.26 107.13 3if9 n ASN 27 Ca 0.18 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.31 3if9 n ASN 27 Cb 0.29 -1.60 -0.03 0.00 -0.61 0.00 0.00 39.78 37.83 3if9 n ASN 27 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3if9 s LYS 28 N -0.73 4.17 -0.46 3.52 -0.14 -1.01 -4.93 119.74 120.16 3if9 s LYS 28 Ca 0.00 2.32 -0.27 0.00 -1.36 0.00 0.00 55.97 56.66 3if9 s LYS 28 Cb 0.00 -3.98 -0.04 0.00 -1.68 0.00 0.00 37.83 32.14 3if9 s LYS 28 CO 0.00 -0.86 2.02 1.21 -0.76 0.00 0.00 175.35 176.96 3if9 s ASN 29 N 3.50 5.24 -0.03 2.83 2.47 -1.26 -4.29 114.94 123.40 3if9 s ASN 29 Ca 0.77 0.95 0.07 0.00 0.42 0.00 0.00 52.86 55.07 3if9 s ASN 29 Cb -0.37 -2.52 -0.02 0.00 -1.45 0.00 0.00 41.25 36.90 3if9 s ASN 29 CO 0.33 -2.29 -0.24 -0.89 -3.72 0.00 0.00 177.10 170.29 3if9 s THR 30 N 9.22 2.19 0.02 -5.21 2.01 -1.26 -1.20 115.64 121.42 3if9 s THR 30 Ca 0.82 -1.05 0.06 0.00 0.31 0.00 0.00 61.69 61.82 3if9 s THR 30 Cb -0.18 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.53 3if9 s THR 30 CO 0.27 0.58 -0.16 0.00 -0.69 0.00 0.00 174.62 174.62 3if9 s ALA 31 N -0.56 1.37 -0.11 7.40 0.00 -0.42 -1.17 121.76 128.28 3if9 s ALA 31 Ca 0.08 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.23 3if9 s ALA 31 Cb -0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 3if9 s ALA 31 CO -0.00 0.30 -0.22 -1.17 0.00 0.00 0.00 175.76 174.67 3if9 s LEU 32 N -0.90 2.22 -0.23 0.00 0.20 -0.56 -0.02 118.68 119.39 3if9 s LEU 32 Ca 0.05 -0.52 -0.05 0.00 0.69 0.00 0.00 54.13 54.30 3if9 s LEU 32 Cb -0.08 -1.45 -0.02 0.00 -0.43 0.00 0.00 46.19 44.21 3if9 s LEU 32 CO 0.01 0.15 -0.00 -0.36 -0.29 0.00 0.00 176.35 175.86 3if9 s PHE 33 N 0.39 3.01 -0.08 5.38 0.40 0.78 -0.64 117.98 127.22 3if9 s PHE 33 Ca -0.16 -0.69 0.03 0.00 -0.60 0.00 0.00 56.93 55.51 3if9 s PHE 33 Cb -0.17 -2.14 0.00 0.00 0.51 0.00 0.00 43.02 41.22 3if9 s PHE 33 CO 0.07 -0.43 -0.18 -2.00 0.70 0.00 0.00 175.22 173.38 3if9 s GLU 34 N 1.43 2.33 0.13 0.44 2.56 -0.12 -0.87 118.70 124.59 3if9 s GLU 34 Ca 0.05 -0.65 -0.13 0.00 0.00 0.00 0.00 54.97 54.24 3if9 s GLU 34 Cb -0.15 -1.84 -0.04 0.00 2.00 0.00 0.00 34.13 34.11 3if9 s GLU 34 CO -0.00 0.13 1.50 1.03 -0.56 0.00 0.00 175.26 177.36 3if9 h SER 35 N 6.75 0.85 0.00 -1.70 0.87 -1.84 0.60 113.55 119.09 3if9 h SER 35 Ca -0.26 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 59.89 3if9 h SER 35 Cb 1.21 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 3if9 h SER 35 CO 0.47 1.07 0.00 0.61 -0.53 0.00 0.00 176.83 178.45 3if9 n GLY 36 N -0.05 1.06 3.68 5.77 0.00 -1.26 -3.45 105.19 110.93 3if9 n GLY 36 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 2.95 3.71 0.10 2.61 -4.23 -1.26 -1.08 115.64 118.44 3if9 s THR 37 Ca 0.00 -1.59 -0.34 0.00 -1.18 0.00 0.00 61.69 58.58 3if9 s THR 37 Cb 0.00 -2.92 -0.14 0.00 1.34 0.00 0.00 72.50 70.78 3if9 s THR 37 CO 0.00 -0.23 1.62 0.23 -0.54 0.00 0.00 174.62 175.70 3if9 n MET 38 N -0.51 2.06 -1.04 3.99 0.00 -1.26 -2.37 117.12 118.00 3if9 n MET 38 Ca -0.08 0.75 -0.01 0.00 0.00 0.00 0.00 57.70 58.35 3if9 n MET 38 Cb 0.57 -2.52 -0.01 0.00 0.00 0.00 0.00 33.22 31.26 3if9 n MET 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3if9 n GLY 39 N 3.54 0.40 0.16 3.03 0.00 -0.11 -4.92 105.19 107.28 3if9 n GLY 39 Ca 0.18 -0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.39 -0.67 0.00 -0.02 0.00 -1.00 -2.17 105.19 99.94 3if9 n GLY 40 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.62 0.00 -0.36 1.61 5.12 -1.26 -4.82 116.66 116.33 3if9 n ARG 41 Ca 0.22 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 56.19 3if9 n ARG 41 Cb 0.19 0.00 0.21 0.00 -1.16 0.00 0.00 32.46 31.70 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 1.02 -0.98 0.55 2.02 -1.85 -0.06 112.91 113.61 3if9 h THR 42 Ca 0.00 -0.38 0.18 0.00 0.77 0.00 0.00 66.41 66.98 3if9 h THR 42 Cb 0.00 -0.17 -0.10 0.00 -1.74 0.00 0.00 68.15 66.13 3if9 h THR 42 CO 0.00 0.20 0.59 0.74 0.37 0.00 0.00 175.52 177.42 3if9 h THR 43 N 1.10 0.72 0.00 3.16 2.02 -1.94 0.49 112.91 118.46 3if9 h THR 43 Ca 0.46 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 3if9 h THR 43 Cb 0.29 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.60 3if9 h THR 43 CO -0.21 0.14 -0.09 0.28 0.37 0.00 0.00 175.52 176.01 3if9 h SER 44 N 0.76 0.00 0.29 4.18 0.02 -0.49 -3.07 113.55 115.24 3if9 h SER 44 Ca 0.56 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.51 3if9 h SER 44 Cb 0.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 3if9 h SER 44 CO -0.37 0.09 -1.06 0.00 -1.14 0.00 0.00 176.83 174.35 3if9 n ALA 45 N -2.21 3.70 -1.74 3.77 0.00 0.13 -4.86 120.51 119.30 3if9 n ALA 45 Ca -0.01 -0.46 -0.35 0.00 0.00 0.00 0.00 53.44 52.62 3if9 n ALA 45 Cb 0.25 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 -3.16 2.68 0.09 0.00 0.00 -0.97 -4.86 121.76 115.55 3if9 s ALA 46 Ca 0.04 0.76 -0.06 0.00 0.00 0.00 0.00 51.96 52.70 3if9 s ALA 46 Cb 0.15 -3.34 -0.20 0.00 0.00 0.00 0.00 23.12 19.73 3if9 s ALA 46 CO 0.82 -0.80 1.20 0.00 0.00 0.00 0.00 175.76 176.98 3if9 h ALA 47 N 1.06 0.19 0.00 0.00 0.00 -1.93 -3.43 119.26 115.15 3if9 h ALA 47 Ca -0.49 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 53.63 3if9 h ALA 47 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3if9 h ALA 47 CO 0.57 0.85 0.00 0.41 0.00 0.00 0.00 179.25 181.08 3if9 n GLY 48 N 1.26 1.10 3.73 0.00 0.00 -1.26 -4.74 105.19 105.27 3if9 n GLY 48 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.59 4.46 -0.89 1.61 -1.94 -1.26 -0.85 119.30 119.84 3if9 s MET 49 Ca 0.00 1.85 -0.01 0.00 -1.71 0.00 0.00 55.69 55.82 3if9 s MET 49 Cb 0.00 -3.28 0.34 0.00 2.01 0.00 0.00 34.83 33.91 3if9 s MET 49 CO 0.00 -0.16 1.88 1.28 -0.01 0.00 0.00 175.02 178.01 3if9 n LEU 50 N 3.06 7.26 -4.45 -0.03 4.77 0.17 -4.36 117.00 123.43 3if9 n LEU 50 Ca 0.06 -5.09 -0.44 0.00 -0.03 0.00 0.00 56.01 50.51 3if9 n LEU 50 Cb 0.45 -1.07 -0.07 0.00 -2.33 0.00 0.00 43.42 40.41 3if9 n LEU 50 CO 0.56 1.91 0.29 -0.94 -1.33 0.00 0.00 177.39 177.88 3if9 s SER 51 N -1.36 6.22 0.00 -1.43 1.04 -1.26 -4.23 113.70 112.68 3if9 s SER 51 Ca 0.47 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.99 3if9 s SER 51 Cb 0.34 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 64.18 3if9 s SER 51 CO -0.29 -0.84 0.85 0.00 0.98 0.00 0.00 173.24 173.94 3if9 n ALA 52 N 6.03 2.43 -3.94 5.32 0.00 -1.26 -4.58 120.51 124.51 3if9 n ALA 52 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.07 3if9 n ALA 52 Cb 0.45 -1.00 -0.16 0.00 0.00 0.00 0.00 19.45 18.75 3if9 n ALA 52 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3if9 s HIS 53 N -1.82 2.20 0.00 0.00 3.76 -1.26 -4.90 115.29 113.27 3if9 s HIS 53 Ca 0.00 -1.51 0.00 0.00 -0.15 0.00 0.00 55.06 53.40 3if9 s HIS 53 Cb 0.00 -1.52 0.00 0.00 1.11 0.00 0.00 32.58 32.17 3if9 s HIS 53 CO 0.00 -0.72 0.12 -2.13 -0.85 0.00 0.00 174.74 171.16 3if9 n ARG 54 N 4.74 0.00 -1.32 1.40 0.63 -1.26 -5.19 116.66 115.65 3if9 n ARG 54 Ca -0.13 -0.10 0.00 0.00 -0.92 0.00 0.00 57.85 56.70 3if9 n ARG 54 Cb 0.46 0.36 0.00 0.00 0.45 0.00 0.00 32.46 33.73 3if9 n ARG 54 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3if9 n GLU 58 N 0.00 -1.18 -2.18 -0.14 1.02 -1.26 -5.18 120.64 111.72 3if9 n GLU 58 Ca -0.03 0.87 -0.40 0.00 -0.02 0.00 0.00 57.16 57.58 3if9 n GLU 58 Cb 0.25 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 3if9 n GLU 58 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3if9 n ARG 59 N -0.45 4.81 -0.17 3.49 1.74 -1.26 -4.70 116.66 120.12 3if9 n ARG 59 Ca 0.00 -3.81 0.00 0.00 -0.77 0.00 0.00 57.85 53.27 3if9 n ARG 59 Cb 0.00 -2.57 0.00 0.00 -1.02 0.00 0.00 32.46 28.87 3if9 n ARG 59 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3if9 n ASP 60 N 1.14 0.00 0.06 0.55 5.68 -1.26 -4.93 116.55 117.79 3if9 n ASP 60 Ca 0.58 -0.26 -0.02 0.00 -0.50 0.00 0.00 54.79 54.58 3if9 n ASP 60 Cb 0.26 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.48 3if9 n ASP 60 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3if9 h ALA 61 N -1.10 1.18 -0.18 2.12 0.00 -1.93 -2.87 119.26 116.48 3if9 h ALA 61 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 3if9 h ALA 61 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3if9 h ALA 61 CO 0.00 0.53 -0.27 0.35 0.00 0.00 0.00 179.25 179.86 3if9 h PHE 62 N 0.32 0.37 -0.15 0.00 3.57 -1.94 0.08 116.94 119.19 3if9 h PHE 62 Ca 0.05 -0.08 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 3if9 h PHE 62 Cb 0.66 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.31 3if9 h PHE 62 CO 0.02 0.58 -0.30 0.35 -2.23 0.00 0.00 178.31 176.73 3if9 h PHE 63 N 0.30 0.58 -0.93 0.41 3.57 -1.79 -2.12 116.94 116.96 3if9 h PHE 63 Ca 0.04 -0.21 0.02 0.00 3.53 0.00 0.00 57.97 61.36 3if9 h PHE 63 Cb 0.64 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 3if9 h PHE 63 CO 0.01 0.92 0.61 -0.44 -2.23 0.00 0.00 178.31 177.19 3if9 h ASP 64 N 0.07 1.04 -0.75 0.41 3.32 -1.29 -1.26 116.42 117.97 3if9 h ASP 64 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3if9 h ASP 64 Cb 0.90 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.16 3if9 h ASP 64 CO 0.07 0.73 0.48 0.15 -1.72 0.00 0.00 179.24 178.94 3if9 h PHE 65 N 1.21 0.95 -0.18 4.55 3.57 -0.96 -0.53 116.94 125.56 3if9 h PHE 65 Ca 0.36 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.87 3if9 h PHE 65 Cb -0.06 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.35 3if9 h PHE 65 CO -0.01 0.61 0.09 0.00 -2.23 0.00 0.00 178.31 176.78 3if9 h ALA 66 N 1.26 0.23 -0.53 2.41 0.00 -0.71 -0.83 119.26 121.09 3if9 h ALA 66 Ca 0.27 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3if9 h ALA 66 Cb -0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3if9 h ALA 66 CO -0.06 -0.22 0.34 0.52 0.00 0.00 0.00 179.25 179.84 3if9 h MET 67 N 0.17 0.67 -0.80 0.00 2.86 -1.00 0.58 114.93 117.42 3if9 h MET 67 Ca 0.06 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 3if9 h MET 67 Cb 0.10 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.56 3if9 h MET 67 CO -0.01 0.44 0.50 1.25 1.06 0.00 0.00 176.91 180.16 3if9 h HIS 68 N 0.69 0.94 -0.25 -0.22 6.17 -0.92 -0.15 115.15 121.41 3if9 h HIS 68 Ca 0.20 0.03 -0.07 0.00 0.71 0.00 0.00 60.37 61.24 3if9 h HIS 68 Cb -0.05 -0.31 -0.01 0.00 2.52 0.00 0.00 27.41 29.56 3if9 h HIS 68 CO -0.05 0.53 -0.14 1.03 0.71 0.00 0.00 177.93 180.01 3if9 h SER 69 N 0.97 0.40 -0.48 3.26 0.87 -0.33 -1.97 113.55 116.29 3if9 h SER 69 Ca 0.32 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.71 3if9 h SER 69 Cb 0.04 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 3if9 h SER 69 CO -0.12 0.58 0.06 -0.61 -0.53 0.00 0.00 176.83 176.21 3if9 h GLN 70 N 0.39 0.86 -0.06 2.24 4.15 0.32 -2.73 115.11 120.29 3if9 h GLN 70 Ca 0.07 -0.21 -0.15 0.00 0.77 0.00 0.00 58.65 59.13 3if9 h GLN 70 Cb 0.49 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 3if9 h GLN 70 CO 0.03 0.82 -0.61 0.00 -1.93 0.00 0.00 178.83 177.14 3if9 h ARG 71 N 0.82 0.22 -0.01 1.69 3.08 -0.69 -3.07 114.38 116.40 3if9 h ARG 71 Ca 0.17 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 3if9 h ARG 71 Cb 0.40 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3if9 h ARG 71 CO 0.01 0.76 -0.23 -0.07 -1.07 0.00 0.00 179.97 179.37 3if9 h LEU 72 N 0.16 0.02 -0.44 3.04 3.38 -1.13 -1.65 115.31 118.70 3if9 h LEU 72 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3if9 h LEU 72 Cb 1.12 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3if9 h LEU 72 CO 0.09 0.25 0.00 -1.22 0.09 0.00 0.00 178.44 177.65 3if9 n TYR 73 N -4.26 0.40 -0.06 1.13 4.02 -1.05 -3.88 117.16 113.47 3if9 n TYR 73 Ca -0.02 0.17 -0.10 0.00 -0.01 0.00 0.00 57.90 57.93 3if9 n TYR 73 Cb 0.29 -0.77 -0.04 0.00 -0.02 0.00 0.00 39.34 38.80 3if9 n TYR 73 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 3if9 h LYS 74 N 0.00 0.30 -0.01 -0.72 1.57 -1.41 -2.65 116.57 113.65 3if9 h LYS 74 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3if9 h LYS 74 Cb 0.24 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3if9 h LYS 74 CO 0.00 0.29 -0.48 0.41 -0.57 0.00 0.00 179.45 179.10 3if9 n GLY 75 N -0.91 -0.76 0.33 3.86 0.00 -1.26 -4.71 105.19 101.74 3if9 n GLY 75 Ca -0.03 -0.46 0.10 0.00 0.00 0.00 0.00 46.02 45.63 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 0.86 0.65 -0.25 0.99 6.46 -1.58 -1.39 115.31 121.05 3if9 h LEU 76 Ca 0.00 0.09 0.05 0.00 -0.12 0.00 0.00 57.88 57.91 3if9 h LEU 76 Cb 0.54 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.41 3if9 h LEU 76 CO 0.00 0.25 -0.08 1.23 -0.62 0.00 0.00 178.44 179.22 3if9 h GLY 77 N 0.69 0.16 1.03 3.75 0.00 -1.84 -1.62 103.07 105.24 3if9 h GLY 77 Ca 0.52 0.10 -0.14 0.00 0.00 0.00 0.00 47.33 47.80 3if9 h GLY 77 CO -0.37 -0.11 -0.38 0.83 0.00 0.00 0.00 176.54 176.51 3if9 h GLU 78 N -0.02 0.77 -0.80 4.80 4.39 -1.62 0.43 114.58 122.54 3if9 h GLU 78 Ca 0.12 -0.44 0.06 0.00 0.34 0.00 0.00 59.36 59.44 3if9 h GLU 78 Cb 0.21 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 3if9 h GLU 78 CO -0.27 1.07 0.52 1.49 -1.16 0.00 0.00 179.01 180.66 3if9 h GLU 79 N 0.53 0.86 0.11 2.33 4.81 -1.40 -0.42 114.58 121.41 3if9 h GLU 79 Ca 0.04 -0.05 -0.33 0.00 -0.13 0.00 0.00 59.36 58.88 3if9 h GLU 79 Cb 0.97 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 3if9 h GLU 79 CO 0.09 0.57 -1.74 -0.07 -0.73 0.00 0.00 179.01 177.13 3if9 h LEU 80 N 0.89 0.38 -0.39 1.64 3.38 -1.14 -3.32 115.31 116.75 3if9 h LEU 80 Ca 0.34 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3if9 h LEU 80 Cb 0.20 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3if9 h LEU 80 CO -0.12 1.57 0.26 0.22 0.09 0.00 0.00 178.44 180.46 3if9 h TYR 81 N 0.07 0.49 -0.89 1.13 3.20 0.01 -0.84 116.97 120.13 3if9 h TYR 81 Ca -0.32 0.01 0.22 0.00 3.14 0.00 0.00 58.73 61.78 3if9 h TYR 81 Cb 2.04 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 40.08 3if9 h TYR 81 CO 0.06 0.31 0.61 0.00 -1.64 0.00 0.00 178.16 177.50 3if9 h ALA 82 N 1.14 2.42 0.00 1.82 0.00 -1.21 -0.17 119.26 123.27 3if9 h ALA 82 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.84 3if9 h ALA 82 Cb -0.06 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3if9 h ALA 82 CO -0.03 -0.70 -2.15 1.28 0.00 0.00 0.00 179.25 177.65 3if9 n LEU 83 N -4.44 0.09 -0.00 0.00 4.77 -1.06 -4.70 117.00 111.66 3if9 n LEU 83 Ca 0.19 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3if9 n LEU 83 Cb 0.79 0.28 -0.00 0.00 -2.33 0.00 0.00 43.42 42.15 3if9 n LEU 83 CO 0.33 0.29 -0.43 -1.54 -1.33 0.00 0.00 177.39 174.71 3if9 n SER 84 N -2.59 4.14 0.00 -1.43 3.41 -0.34 -4.61 113.62 112.20 3if9 n SER 84 Ca -0.20 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 3if9 n SER 84 Cb 0.92 1.02 0.00 0.00 -0.26 0.00 0.00 64.21 65.88 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 2.25 0.21 3.76 5.00 0.00 -0.10 -4.91 105.19 111.40 3if9 n GLY 85 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.47 5.39 -0.17 1.61 1.01 -1.26 -5.02 120.40 120.49 3if9 s VAL 86 Ca 0.00 0.29 -0.20 0.00 0.00 0.00 0.00 61.98 62.07 3if9 s VAL 86 Cb 0.00 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 3if9 s VAL 86 CO 0.00 0.46 0.56 -0.62 0.00 0.00 0.00 175.10 175.50 3if9 s ASP 87 N 0.12 6.67 0.00 3.32 2.15 -1.26 -3.96 116.67 123.71 3if9 s ASP 87 Ca 0.11 0.80 0.21 0.00 0.43 0.00 0.00 52.55 54.11 3if9 s ASP 87 Cb -0.12 -2.32 0.96 0.00 -0.30 0.00 0.00 42.92 41.14 3if9 s ASP 87 CO 0.01 -0.17 1.69 2.30 -0.17 0.00 0.00 175.17 178.82 3if9 n ILE 88 N 4.34 0.48 -3.36 4.11 -5.35 -1.26 -4.74 119.36 113.58 3if9 n ILE 88 Ca -0.04 0.12 -0.18 0.00 -0.27 0.00 0.00 62.75 62.38 3if9 n ILE 88 Cb 0.50 -0.76 0.05 0.00 -1.74 0.00 0.00 39.64 37.70 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 -1.44 -1.82 -2.48 6.28 1.74 -1.26 -1.90 116.66 115.78 3if9 n ARG 89 Ca 0.06 0.82 -0.41 0.00 -0.77 0.00 0.00 57.85 57.56 3if9 n ARG 89 Cb 0.23 -5.25 -0.04 0.00 -1.02 0.00 0.00 32.46 26.38 3if9 n ARG 89 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3if9 s GLN 90 N -4.69 4.59 -0.11 5.56 0.74 -1.26 -3.85 119.66 120.63 3if9 s GLN 90 Ca 0.40 1.77 0.01 0.00 0.05 0.00 0.00 55.36 57.59 3if9 s GLN 90 Cb -0.08 -3.25 0.02 0.00 1.10 0.00 0.00 33.01 30.80 3if9 s GLN 90 CO 0.78 0.08 -0.12 -1.58 -0.55 0.00 0.00 175.29 173.90 3if9 s HIS 91 N -0.43 1.78 -0.81 1.67 5.65 -0.08 -5.02 115.29 118.06 3if9 s HIS 91 Ca 0.49 -0.87 0.01 0.00 0.25 0.00 0.00 55.06 54.94 3if9 s HIS 91 Cb -0.31 -1.34 0.34 0.00 -1.18 0.00 0.00 32.58 30.09 3if9 s HIS 91 CO 0.37 -0.49 1.53 0.09 -0.65 0.00 0.00 174.74 175.59 3if9 n ASN 92 N 4.47 6.30 0.04 9.88 3.02 -1.26 -2.44 115.26 135.27 3if9 n ASN 92 Ca -0.17 -3.72 0.11 0.00 -0.03 0.00 0.00 54.58 50.77 3if9 n ASN 92 Cb 0.51 -0.91 -0.04 0.00 -0.61 0.00 0.00 39.78 38.73 3if9 n ASN 92 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3if9 n GLY 93 N -0.23 -1.23 0.76 7.41 0.00 -1.26 -5.08 105.19 105.55 3if9 n GLY 93 Ca 0.43 -0.39 0.10 0.00 0.00 0.00 0.00 46.02 46.16 3if9 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3if9 n GLY 94 N 1.28 -1.77 2.93 -0.02 0.00 -1.25 -4.44 105.19 101.92 3if9 n GLY 94 Ca -0.00 -1.33 -0.15 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.89 0.35 -0.30 1.61 0.00 -0.92 -1.45 119.30 116.70 3if9 s MET 95 Ca 0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 55.69 55.46 3if9 s MET 95 Cb 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 34.83 34.46 3if9 s MET 95 CO 0.00 0.07 0.15 -0.06 0.00 0.00 0.00 175.02 175.18 3if9 s PHE 96 N 0.01 3.17 -0.76 4.11 2.99 0.55 -1.05 117.98 127.00 3if9 s PHE 96 Ca 0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 56.93 56.26 3if9 s PHE 96 Cb -0.03 -2.35 0.12 0.00 0.00 0.00 0.00 43.02 40.76 3if9 s PHE 96 CO -0.00 -0.42 0.94 0.15 -0.00 0.00 0.00 175.22 175.89 3if9 s LYS 97 N 1.63 3.33 0.52 0.44 1.02 -0.53 -1.71 119.74 124.45 3if9 s LYS 97 Ca 0.05 -1.49 -0.22 0.00 0.02 0.00 0.00 55.97 54.33 3if9 s LYS 97 Cb -0.17 -4.53 -0.05 0.00 -0.52 0.00 0.00 37.83 32.56 3if9 s LYS 97 CO 0.07 -1.67 1.28 -0.51 -0.92 0.00 0.00 175.35 173.59 3if9 s LEU 98 N 2.76 3.88 -0.08 3.17 1.43 0.11 -1.87 118.68 128.07 3if9 s LEU 98 Ca 0.23 2.58 0.02 0.00 -1.03 0.00 0.00 54.13 55.93 3if9 s LEU 98 Cb -0.14 -4.30 -0.02 0.00 0.03 0.00 0.00 46.19 41.76 3if9 s LEU 98 CO -0.00 -1.37 -0.14 0.00 0.23 0.00 0.00 176.35 175.06 3if9 s ALA 99 N -1.41 2.64 -0.24 4.21 0.00 -0.17 -4.74 121.76 122.04 3if9 s ALA 99 Ca 0.70 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.74 3if9 s ALA 99 Cb -0.36 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 3if9 s ALA 99 CO 0.42 0.44 0.31 1.19 0.00 0.00 0.00 175.76 178.12 3if9 n PHE 100 N 2.77 0.00 -4.10 0.00 3.01 -1.26 -0.64 117.46 117.24 3if9 n PHE 100 Ca -0.18 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.18 3if9 n PHE 100 Cb 0.52 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.92 3if9 n PHE 100 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3if9 s SER 101 N -0.87 0.04 0.21 4.37 1.04 -1.26 -4.84 113.70 112.38 3if9 s SER 101 Ca 0.02 -1.15 -0.09 0.00 0.48 0.00 0.00 55.95 55.21 3if9 s SER 101 Cb 0.02 0.48 0.26 0.00 0.10 0.00 0.00 66.02 66.88 3if9 s SER 101 CO 0.09 -0.98 1.79 -0.08 0.98 0.00 0.00 173.24 175.04 3if9 h GLU 102 N 2.45 0.60 -0.99 4.02 4.57 -2.00 -2.68 114.58 120.55 3if9 h GLU 102 Ca -0.31 -0.04 0.10 0.00 -1.18 0.00 0.00 59.36 57.93 3if9 h GLU 102 Cb 1.25 -0.14 -0.08 0.00 -0.16 0.00 0.00 28.75 29.62 3if9 h GLU 102 CO 0.45 0.40 0.62 0.93 -1.18 0.00 0.00 179.01 180.23 3if9 h GLU 103 N 0.62 1.00 -0.78 1.92 3.07 -2.00 -1.86 114.58 116.54 3if9 h GLU 103 Ca 0.31 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 59.06 3if9 h GLU 103 Cb 0.25 -0.23 -0.03 0.00 -0.84 0.00 0.00 28.75 27.91 3if9 h GLU 103 CO -0.22 0.66 0.31 -0.44 -1.40 0.00 0.00 179.01 177.92 3if9 h ASP 104 N 1.03 1.07 -0.33 1.42 3.32 -1.89 -2.61 116.42 118.43 3if9 h ASP 104 Ca 0.47 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 3if9 h ASP 104 Cb 0.39 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3if9 h ASP 104 CO -0.24 0.95 0.16 0.58 -1.72 0.00 0.00 179.24 178.97 3if9 h VAL 105 N 1.13 1.16 -0.02 -1.35 2.07 -1.18 -1.38 116.25 116.68 3if9 h VAL 105 Ca 0.26 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.35 3if9 h VAL 105 Cb 0.21 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3if9 h VAL 105 CO -0.02 0.17 -0.22 -0.07 0.02 0.00 0.00 177.57 177.45 3if9 h LEU 106 N 0.40 -0.65 0.08 2.57 3.38 -1.31 -1.94 115.31 117.84 3if9 h LEU 106 Ca 0.11 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.20 3if9 h LEU 106 Cb 0.12 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3if9 h LEU 106 CO -0.01 -0.28 -0.34 1.56 0.09 0.00 0.00 178.44 179.45 3if9 h GLN 107 N -0.34 -0.53 0.00 1.13 1.08 -1.36 -3.08 115.11 112.02 3if9 h GLN 107 Ca 0.07 0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.25 3if9 h GLN 107 Cb 0.42 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 3if9 h GLN 107 CO -0.21 -0.35 -0.24 -0.07 -0.95 0.00 0.00 178.83 177.01 3if9 h LEU 108 N -0.54 0.00 0.00 1.46 3.38 -1.10 -2.58 115.31 115.92 3if9 h LEU 108 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3if9 h LEU 108 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3if9 h LEU 108 CO -0.23 0.24 -0.02 0.54 0.09 0.00 0.00 178.44 179.07 3if9 n ARG 109 N -3.79 0.27 -0.04 1.13 1.74 -0.74 -3.00 116.66 112.23 3if9 n ARG 109 Ca -0.01 0.22 0.21 0.00 -0.77 0.00 0.00 57.85 57.50 3if9 n ARG 109 Cb 0.34 -1.81 0.68 0.00 -1.02 0.00 0.00 32.46 30.65 3if9 n ARG 109 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3if9 h GLN 110 N 0.00 0.03 -0.67 5.56 1.08 -1.41 -1.52 115.11 118.18 3if9 h GLN 110 Ca 0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3if9 h GLN 110 Cb 0.75 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 3if9 h GLN 110 CO 0.00 0.02 0.00 -1.33 -0.95 0.00 0.00 178.83 176.57 3if9 n MET 111 N -4.37 2.60 0.00 1.46 2.81 -1.16 -4.37 117.12 114.10 3if9 n MET 111 Ca 0.12 -2.49 -0.01 0.00 -1.81 0.00 0.00 57.70 53.51 3if9 n MET 111 Cb 0.66 -1.54 0.26 0.00 -0.71 0.00 0.00 33.22 31.89 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 4.11 0.49 0.43 7.83 3.32 -1.42 -2.46 116.42 128.72 3if9 h ASP 112 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3if9 h ASP 112 Cb 0.94 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3if9 h ASP 112 CO 0.00 0.62 0.00 -0.90 -1.72 0.00 0.00 179.24 177.24 3if9 n ASP 113 N -4.22 0.30 -4.77 6.45 5.75 -1.26 -4.69 116.55 114.10 3if9 n ASP 113 Ca 0.01 0.59 -0.37 0.00 -0.01 0.00 0.00 54.79 55.01 3if9 n ASP 113 Cb 0.30 -0.65 -0.02 0.00 -1.03 0.00 0.00 41.12 39.72 3if9 n ASP 113 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3if9 s LEU 114 N -3.71 4.06 0.17 -2.12 1.43 -0.93 -4.97 118.68 112.60 3if9 s LEU 114 Ca 0.04 2.24 -0.08 0.00 -1.03 0.00 0.00 54.13 55.30 3if9 s LEU 114 Cb 0.07 -4.21 0.03 0.00 0.03 0.00 0.00 46.19 42.12 3if9 s LEU 114 CO 0.26 -0.79 1.50 -0.78 0.23 0.00 0.00 176.35 176.77 3if9 h ASP 115 N 2.21 0.87 0.36 2.29 3.58 -1.87 -3.11 116.42 120.74 3if9 h ASP 115 Ca -0.49 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 56.55 3if9 h ASP 115 Cb 1.24 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.04 3if9 h ASP 115 CO 0.61 1.17 -0.08 -1.54 -2.88 0.00 0.00 179.24 176.52 3if9 n SER 116 N -4.04 0.38 -4.67 2.28 3.41 -1.26 -4.87 113.62 104.86 3if9 n SER 116 Ca -0.02 -0.56 -0.29 0.00 -0.26 0.00 0.00 58.87 57.74 3if9 n SER 116 Cb 0.55 -0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 64.32 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 -2.44 3.84 0.21 -3.33 1.01 -1.18 -3.92 120.40 114.59 3if9 s VAL 117 Ca 0.30 -1.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 3if9 s VAL 117 Cb 0.20 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 3if9 s VAL 117 CO 0.46 0.02 0.13 -0.55 0.00 0.00 0.00 175.10 175.16 3if9 s SER 118 N -2.56 0.33 -0.13 3.32 0.15 -1.03 -4.80 113.70 109.00 3if9 s SER 118 Ca 0.26 -1.39 0.02 0.00 0.70 0.00 0.00 55.95 55.53 3if9 s SER 118 Cb -0.11 0.35 0.01 0.00 -1.71 0.00 0.00 66.02 64.57 3if9 s SER 118 CO 0.18 -0.83 -0.17 0.86 1.20 0.00 0.00 173.24 174.48 3if9 s TRP 119 N -4.09 2.22 -0.11 3.44 -0.11 -1.26 -3.14 118.94 115.89 3if9 s TRP 119 Ca 0.39 -1.11 -0.04 0.00 1.22 0.00 0.00 56.10 56.56 3if9 s TRP 119 Cb 0.07 -1.57 -0.04 0.00 -1.50 0.00 0.00 33.47 30.43 3if9 s TRP 119 CO 0.12 -0.56 0.05 0.71 -4.62 0.00 0.00 176.95 172.66 3if9 s TYR 120 N 1.03 3.31 0.75 5.86 1.51 -0.58 -4.99 117.35 124.24 3if9 s TYR 120 Ca -0.04 0.29 -0.11 0.00 -1.01 0.00 0.00 57.07 56.19 3if9 s TYR 120 Cb -0.15 -1.87 0.04 0.00 -0.11 0.00 0.00 41.96 39.88 3if9 s TYR 120 CO -0.04 0.52 1.10 -1.54 -1.11 0.00 0.00 175.55 174.48 3if9 s SER 121 N -0.80 4.98 0.33 2.29 1.04 -1.26 -2.39 113.70 117.90 3if9 s SER 121 Ca 0.13 1.22 0.10 0.00 0.48 0.00 0.00 55.95 57.87 3if9 s SER 121 Cb -0.12 -1.98 0.99 0.00 0.10 0.00 0.00 66.02 65.01 3if9 s SER 121 CO 0.03 -1.65 1.60 0.50 0.98 0.00 0.00 173.24 174.70 3if9 h LYS 122 N -0.87 0.08 -0.22 4.02 3.64 -1.89 -1.47 116.57 119.88 3if9 h LYS 122 Ca -0.46 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 58.72 3if9 h LYS 122 Cb 1.26 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 33.07 3if9 h LYS 122 CO 0.62 0.06 -0.62 0.93 -2.27 0.00 0.00 179.45 178.16 3if9 h GLU 123 N 0.09 0.80 0.00 1.90 4.39 -1.93 -2.91 114.58 116.92 3if9 h GLU 123 Ca 0.69 -0.58 -0.12 0.00 0.34 0.00 0.00 59.36 59.70 3if9 h GLU 123 Cb 1.61 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.34 3if9 h GLU 123 CO -0.78 1.20 -0.57 0.93 -1.16 0.00 0.00 179.01 178.63 3if9 h GLU 124 N 0.55 0.00 -0.34 2.33 5.08 -1.65 -2.68 114.58 117.87 3if9 h GLU 124 Ca -0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 3if9 h GLU 124 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 3if9 h GLU 124 CO 0.13 0.57 -0.04 0.28 -1.00 0.00 0.00 179.01 178.96 3if9 h VAL 125 N 0.00 1.27 0.00 3.13 2.07 -1.37 -3.22 116.25 118.13 3if9 h VAL 125 Ca -0.01 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 3if9 h VAL 125 Cb 1.03 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 3if9 h VAL 125 CO 0.07 0.34 -0.04 -0.07 0.02 0.00 0.00 177.57 177.90 3if9 h LEU 126 N 0.41 0.00 -0.11 2.57 3.38 -1.29 -0.53 115.31 119.74 3if9 h LEU 126 Ca 0.09 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3if9 h LEU 126 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3if9 h LEU 126 CO 0.02 0.04 -0.08 -0.33 0.09 0.00 0.00 178.44 178.18 3if9 h GLU 127 N 0.00 0.25 0.02 1.13 5.08 -1.49 -3.02 114.58 116.56 3if9 h GLU 127 Ca -0.00 -0.12 -0.27 0.00 -1.00 0.00 0.00 59.36 57.97 3if9 h GLU 127 Cb 0.47 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.73 3if9 h GLU 127 CO 0.00 0.63 -1.07 0.87 -1.00 0.00 0.00 179.01 178.44 3if9 h LYS 128 N -0.12 0.66 -3.58 2.33 1.79 -1.48 -3.40 116.57 112.76 3if9 h LYS 128 Ca 0.02 -0.74 -0.60 0.00 -2.18 0.00 0.00 60.65 57.15 3if9 h LYS 128 Cb 0.57 0.22 -0.40 0.00 -1.58 0.00 0.00 32.23 31.04 3if9 h LYS 128 CO 0.02 1.32 -0.75 -1.21 -1.08 0.00 0.00 179.45 177.75 3if9 s GLU 129 N -3.25 0.97 0.51 3.15 0.41 -0.25 -4.89 118.70 115.35 3if9 s GLU 129 Ca -0.09 -1.43 0.19 0.00 -0.41 0.00 0.00 54.97 53.23 3if9 s GLU 129 Cb 0.07 -2.26 1.31 0.00 -1.78 0.00 0.00 34.13 31.46 3if9 s GLU 129 CO 0.92 -1.02 2.12 -1.35 -0.49 0.00 0.00 175.26 175.43 3if9 h PRO 130 N 7.67 0.00 -0.02 0.39 0.11 -1.75 -3.12 132.00 135.29 3if9 h PRO 130 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3if9 h PRO 130 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3if9 h PRO 130 CO 0.48 0.06 -0.27 0.66 -0.21 0.00 0.00 178.00 178.72 3if9 n TYR 131 N -4.29 0.00 -1.60 0.65 4.02 -1.26 -4.91 117.16 109.77 3if9 n TYR 131 Ca -0.03 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.48 3if9 n TYR 131 Cb 0.14 -0.04 0.05 0.00 -0.02 0.00 0.00 39.34 39.47 3if9 n TYR 131 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3if9 n ALA 132 N 0.00 0.02 -1.64 -0.72 0.00 -1.18 -4.34 120.51 112.66 3if9 n ALA 132 Ca 0.12 0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.17 3if9 n ALA 132 Cb 0.43 -2.07 0.01 0.00 0.00 0.00 0.00 19.45 17.82 3if9 n ALA 132 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3if9 n SER 133 N -0.50 1.65 0.21 0.00 2.88 -0.93 -4.90 113.62 112.03 3if9 n SER 133 Ca 0.13 1.06 0.06 0.00 -1.33 0.00 0.00 58.87 58.78 3if9 n SER 133 Cb 0.47 -1.40 0.48 0.00 -0.75 0.00 0.00 64.21 63.01 3if9 n SER 133 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3if9 h GLY 134 N 1.69 0.00 0.63 0.46 0.00 -1.92 -3.08 103.07 100.84 3if9 h GLY 134 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3if9 h GLY 134 CO 0.58 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.34 3if9 n ASP 135 N -4.01 0.00 -4.74 0.19 8.00 -1.26 -4.86 116.55 109.86 3if9 n ASP 135 Ca -0.02 -1.07 -0.32 0.00 0.71 0.00 0.00 54.79 54.09 3if9 n ASP 135 Cb 0.33 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.52 3if9 n ASP 135 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3if9 s ILE 136 N -2.00 2.91 -0.74 0.53 -4.36 -1.17 -4.69 121.20 111.69 3if9 s ILE 136 Ca 0.23 0.35 0.07 0.00 -0.26 0.00 0.00 60.65 61.04 3if9 s ILE 136 Cb 0.11 -2.77 0.11 0.00 1.25 0.00 0.00 42.46 41.16 3if9 s ILE 136 CO 0.18 -0.33 0.91 0.49 0.24 0.00 0.00 174.94 176.43 3if9 n PHE 137 N -3.24 0.13 0.00 1.37 3.01 0.19 -4.86 117.46 114.06 3if9 n PHE 137 Ca 0.11 -0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.35 3if9 n PHE 137 Cb 0.52 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 3if9 n PHE 137 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3if9 n GLY 138 N 0.28 0.59 3.35 1.37 0.00 -1.26 -3.55 105.19 105.97 3if9 n GLY 138 Ca 0.05 -2.24 -0.13 0.00 0.00 0.00 0.00 46.02 43.70 3if9 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3if9 s ALA 139 N -1.47 -1.15 -0.38 4.61 0.00 -1.00 -1.00 121.76 121.37 3if9 s ALA 139 Ca 0.00 0.35 -0.21 0.00 0.00 0.00 0.00 51.96 52.09 3if9 s ALA 139 Cb 0.00 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.60 3if9 s ALA 139 CO 0.00 -0.54 0.69 -1.12 0.00 0.00 0.00 175.76 174.79 3if9 s SER 140 N -2.22 6.44 0.21 0.00 0.01 -0.78 -1.52 113.70 115.83 3if9 s SER 140 Ca -0.03 0.12 -0.29 0.00 1.31 0.00 0.00 55.95 57.06 3if9 s SER 140 Cb -0.00 -2.35 -0.08 0.00 0.21 0.00 0.00 66.02 63.79 3if9 s SER 140 CO -0.05 -0.69 0.90 0.12 0.41 0.00 0.00 173.24 173.93 3if9 s PHE 141 N 2.88 3.95 -0.37 2.43 5.36 -1.19 -1.45 117.98 129.60 3if9 s PHE 141 Ca 0.27 1.83 0.00 0.00 -0.96 0.00 0.00 56.93 58.07 3if9 s PHE 141 Cb -0.14 -2.93 0.14 0.00 -0.34 0.00 0.00 43.02 39.75 3if9 s PHE 141 CO 0.17 0.45 0.21 0.42 -1.46 0.00 0.00 175.22 175.01 3if9 s ILE 142 N -1.05 0.51 0.53 3.12 1.01 -0.22 -2.46 121.20 122.64 3if9 s ILE 142 Ca 0.40 -1.92 0.30 0.00 0.00 0.00 0.00 60.65 59.43 3if9 s ILE 142 Cb -0.25 -1.37 0.47 0.00 0.01 0.00 0.00 42.46 41.32 3if9 s ILE 142 CO 0.30 -0.95 1.89 1.56 0.00 0.00 0.00 174.94 177.75 3if9 h GLN 143 N 6.99 0.04 0.00 2.79 4.20 -1.85 -2.37 115.11 124.91 3if9 h GLN 143 Ca 0.03 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3if9 h GLN 143 Cb 0.96 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.73 3if9 h GLN 143 CO 0.33 0.02 -1.49 -0.25 -0.67 0.00 0.00 178.83 176.78 3if9 n ASP 144 N -4.30 0.46 -4.55 1.46 9.92 -1.26 -3.87 116.55 114.40 3if9 n ASP 144 Ca 0.18 0.18 -0.37 0.00 -0.53 0.00 0.00 54.79 54.25 3if9 n ASP 144 Cb 0.92 1.14 -0.03 0.00 -0.64 0.00 0.00 41.12 42.50 3if9 n ASP 144 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3if9 s ASP 145 N -5.00 5.64 0.26 -2.24 1.11 -1.05 -4.93 116.67 110.46 3if9 s ASP 145 Ca -0.04 -0.36 0.01 0.00 0.18 0.00 0.00 52.55 52.33 3if9 s ASP 145 Cb 0.11 -2.55 0.01 0.00 1.07 0.00 0.00 42.92 41.56 3if9 s ASP 145 CO 0.85 -2.20 0.07 1.33 1.18 0.00 0.00 175.17 176.39 3if9 n VAL 146 N 7.12 0.00 -3.91 -1.27 0.24 -1.26 -3.77 118.33 115.48 3if9 n VAL 146 Ca 0.23 -1.15 -0.09 0.00 -2.04 0.00 0.00 64.34 61.28 3if9 n VAL 146 Cb 0.50 0.06 -0.09 0.00 -1.47 0.00 0.00 33.84 32.85 3if9 n VAL 146 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 3if9 s HIS 147 N -1.71 0.19 0.30 6.34 -3.43 -1.02 0.43 115.29 116.38 3if9 s HIS 147 Ca 0.05 -0.52 0.04 0.00 -0.80 0.00 0.00 55.06 53.83 3if9 s HIS 147 Cb -0.00 -0.12 -0.06 0.00 -1.43 0.00 0.00 32.58 30.96 3if9 s HIS 147 CO 0.03 -0.42 0.05 0.14 -2.00 0.00 0.00 174.74 172.54 3if9 s VAL 148 N -2.99 1.14 -0.41 -5.38 -7.23 -0.03 -0.90 120.40 104.59 3if9 s VAL 148 Ca -0.02 -2.01 -0.18 0.00 -1.81 0.00 0.00 61.98 57.96 3if9 s VAL 148 Cb 0.01 -2.70 0.02 0.00 0.56 0.00 0.00 36.38 34.27 3if9 s VAL 148 CO -0.06 -0.06 0.51 -1.61 -0.31 0.00 0.00 175.10 173.56 3if9 s GLU 149 N -3.89 3.24 0.23 4.82 2.02 -0.80 -4.22 118.70 120.09 3if9 s GLU 149 Ca 0.35 -0.55 -0.08 0.00 0.02 0.00 0.00 54.97 54.71 3if9 s GLU 149 Cb 0.08 -3.93 0.21 0.00 0.10 0.00 0.00 34.13 30.59 3if9 s GLU 149 CO 0.14 -0.86 1.89 -1.35 0.02 0.00 0.00 175.26 175.10 3if9 h PRO 150 N 8.73 1.08 -0.55 0.39 0.11 -1.84 -1.67 132.00 138.24 3if9 h PRO 150 Ca -0.26 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 65.82 3if9 h PRO 150 Cb 1.11 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 31.94 3if9 h PRO 150 CO 0.82 0.71 0.32 -0.92 -0.21 0.00 0.00 178.00 178.71 3if9 h TYR 151 N 1.11 0.59 -0.00 0.65 3.20 -1.90 -1.89 116.97 118.73 3if9 h TYR 151 Ca 0.32 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 62.04 3if9 h TYR 151 Cb -0.09 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 3if9 h TYR 151 CO -0.02 0.31 -0.76 0.74 -1.64 0.00 0.00 178.16 176.79 3if9 h PHE 152 N 0.62 0.03 -0.52 -3.82 -1.00 -1.67 -0.23 116.94 110.35 3if9 h PHE 152 Ca 0.23 -0.02 0.02 0.00 2.81 0.00 0.00 57.97 61.02 3if9 h PHE 152 Cb 0.08 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.60 3if9 h PHE 152 CO -0.08 0.78 0.31 0.28 -1.61 0.00 0.00 178.31 177.99 3if9 h VAL 153 N 0.01 1.05 -0.34 -0.55 2.07 -1.12 0.12 116.25 117.49 3if9 h VAL 153 Ca -0.01 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.31 3if9 h VAL 153 Cb 1.35 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3if9 h VAL 153 CO 0.10 0.11 0.20 0.00 0.02 0.00 0.00 177.57 178.00 3if9 h LYS 155 N 0.41 1.01 0.04 0.00 1.79 -0.75 -2.23 116.57 116.83 3if9 h LYS 155 Ca 0.13 -0.26 -0.00 0.00 -2.18 0.00 0.00 60.65 58.34 3if9 h LYS 155 Cb 0.00 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.53 3if9 h LYS 155 CO -0.06 0.94 -0.02 0.00 -1.08 0.00 0.00 179.45 179.23 3if9 h ALA 156 N 1.14 -0.05 -0.21 3.86 0.00 -0.37 -1.21 119.26 122.42 3if9 h ALA 156 Ca 0.19 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3if9 h ALA 156 Cb 0.43 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3if9 h ALA 156 CO 0.01 -0.45 -0.17 1.88 0.00 0.00 0.00 179.25 180.53 3if9 h TYR 157 N -0.21 -0.43 -0.34 0.00 0.99 -1.27 -0.68 116.97 115.03 3if9 h TYR 157 Ca -0.00 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.73 3if9 h TYR 157 Cb 0.19 0.22 -0.01 0.00 1.00 0.00 0.00 36.73 38.13 3if9 h TYR 157 CO -0.02 -0.24 0.11 -0.24 -0.00 0.00 0.00 178.16 177.76 3if9 h VAL 158 N -0.18 1.21 -0.71 -2.88 3.04 -1.29 0.23 116.25 115.67 3if9 h VAL 158 Ca 0.12 -0.67 -0.03 0.00 -1.01 0.00 0.00 66.70 65.11 3if9 h VAL 158 Cb 0.36 1.01 -0.03 0.00 -2.01 0.00 0.00 31.29 30.62 3if9 h VAL 158 CO -0.31 0.23 0.33 0.50 -1.01 0.00 0.00 177.57 177.31 3if9 h LYS 159 N 0.39 1.03 -0.71 4.17 1.63 -1.17 -0.95 116.57 120.96 3if9 h LYS 159 Ca 0.11 -0.16 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 3if9 h LYS 159 Cb 0.25 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 3if9 h LYS 159 CO -0.00 0.82 0.33 0.00 -3.45 0.00 0.00 179.45 177.14 3if9 h ALA 160 N 1.16 0.92 -0.91 5.00 0.00 -0.75 -2.00 119.26 122.68 3if9 h ALA 160 Ca 0.24 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3if9 h ALA 160 Cb 0.13 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 3if9 h ALA 160 CO -0.03 0.49 0.59 0.00 0.00 0.00 0.00 179.25 180.31 3if9 h ALA 161 N 1.16 1.51 -0.26 0.00 0.00 -0.17 -1.32 119.26 120.18 3if9 h ALA 161 Ca 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3if9 h ALA 161 Cb 0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3if9 h ALA 161 CO -0.03 0.36 0.11 0.87 0.00 0.00 0.00 179.25 180.56 3if9 h LYS 162 N 1.03 0.39 -0.12 0.00 1.57 -0.49 0.16 116.57 119.11 3if9 h LYS 162 Ca 0.39 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 59.06 3if9 h LYS 162 Cb 0.20 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3if9 h LYS 162 CO -0.15 0.41 -0.12 0.52 -0.57 0.00 0.00 179.45 179.55 3if9 h MET 163 N 0.28 0.18 -0.00 3.15 2.86 -1.13 -1.17 114.93 119.09 3if9 h MET 163 Ca 0.09 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3if9 h MET 163 Cb 0.16 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.79 3if9 h MET 163 CO -0.01 0.31 -0.02 1.28 1.06 0.00 0.00 176.91 179.53 3if9 n LEU 164 N -4.31 0.49 0.00 1.22 4.77 -0.52 -4.91 117.00 113.75 3if9 n LEU 164 Ca -0.01 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3if9 n LEU 164 Cb 0.24 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3if9 n LEU 164 CO 0.37 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3if9 n GLY 165 N 1.11 0.81 3.77 -0.72 0.00 -0.44 -4.77 105.19 104.95 3if9 n GLY 165 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 3if9 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3if9 s ALA 166 N -2.00 2.87 -0.21 4.61 0.00 0.46 -4.66 121.76 122.83 3if9 s ALA 166 Ca 0.00 0.98 -0.05 0.00 0.00 0.00 0.00 51.96 52.89 3if9 s ALA 166 Cb 0.00 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 3if9 s ALA 166 CO 0.00 -0.82 -0.02 -1.21 0.00 0.00 0.00 175.76 173.71 3if9 s GLU 167 N -2.88 3.52 -0.22 0.00 2.02 -0.32 -4.26 118.70 116.57 3if9 s GLU 167 Ca 0.67 -0.56 -0.06 0.00 0.02 0.00 0.00 54.97 55.04 3if9 s GLU 167 Cb -0.30 -3.05 -0.03 0.00 0.10 0.00 0.00 34.13 30.86 3if9 s GLU 167 CO 0.35 -0.07 0.03 0.42 0.02 0.00 0.00 175.26 176.01 3if9 s ILE 168 N 1.20 4.08 -0.51 -1.63 -1.09 -1.26 -1.49 121.20 120.50 3if9 s ILE 168 Ca 0.03 -0.26 -0.01 0.00 -2.23 0.00 0.00 60.65 58.18 3if9 s ILE 168 Cb -0.15 -2.88 0.13 0.00 -1.58 0.00 0.00 42.46 37.99 3if9 s ILE 168 CO 0.00 0.39 0.29 -0.36 -1.23 0.00 0.00 174.94 174.04 3if9 s PHE 169 N 1.27 3.47 0.97 3.97 0.40 0.18 -4.99 117.98 123.26 3if9 s PHE 169 Ca 0.04 -2.72 -0.12 0.00 -0.60 0.00 0.00 56.93 53.53 3if9 s PHE 169 Cb -0.15 -3.12 0.17 0.00 0.51 0.00 0.00 43.02 40.43 3if9 s PHE 169 CO 0.02 -0.88 1.09 -1.21 0.70 0.00 0.00 175.22 174.94 3if9 s GLU 170 N 0.41 0.62 -1.06 0.44 2.02 -1.26 -0.95 118.70 118.92 3if9 s GLU 170 Ca 0.13 0.62 0.00 0.00 0.02 0.00 0.00 54.97 55.74 3if9 s GLU 170 Cb -0.22 -1.75 0.00 0.00 0.10 0.00 0.00 34.13 32.26 3if9 s GLU 170 CO -0.04 -2.62 0.00 0.72 0.02 0.00 0.00 175.26 173.34 3if9 n HIS 171 N -4.12 -0.66 -3.94 1.61 8.25 -0.00 -4.80 115.22 111.57 3if9 n HIS 171 Ca 0.06 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.22 3if9 n HIS 171 Cb 0.57 -2.26 -0.14 0.00 1.12 0.00 0.00 29.99 29.28 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 -1.97 2.67 0.35 1.59 2.01 -0.01 -4.92 115.64 115.36 3if9 s THR 172 Ca 0.00 -3.50 -0.27 0.00 0.31 0.00 0.00 61.69 58.23 3if9 s THR 172 Cb 0.00 -2.83 -0.09 0.00 0.01 0.00 0.00 72.50 69.59 3if9 s THR 172 CO 0.00 -0.84 1.11 -2.16 -0.69 0.00 0.00 174.62 172.04 3if9 s PRO 173 N -0.51 4.35 -0.21 4.92 0.04 -1.26 -3.59 135.00 138.73 3if9 s PRO 173 Ca 0.18 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 62.79 3if9 s PRO 173 Cb -0.22 -2.88 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 3if9 s PRO 173 CO -0.03 -0.04 0.53 0.08 0.04 0.00 0.00 177.00 177.58 3if9 s VAL 174 N -1.36 5.09 -0.31 -0.36 1.01 -1.26 -4.20 120.40 119.01 3if9 s VAL 174 Ca 0.51 0.95 0.23 0.00 0.00 0.00 0.00 61.98 63.67 3if9 s VAL 174 Cb -0.29 -3.85 -0.13 0.00 0.00 0.00 0.00 36.38 32.11 3if9 s VAL 174 CO 0.37 0.15 0.89 0.18 0.00 0.00 0.00 175.10 176.69 3if9 n LEU 175 N 4.98 0.55 -3.64 3.92 4.77 0.66 -4.99 117.00 123.25 3if9 n LEU 175 Ca -0.04 0.12 -0.05 0.00 -0.03 0.00 0.00 56.01 56.01 3if9 n LEU 175 Cb 0.50 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.47 3if9 n LEU 175 CO 0.42 -0.06 0.95 -2.28 -1.33 0.00 0.00 177.39 175.08 3if9 s HIS 176 N -3.35 -0.26 -0.18 -1.77 5.04 -1.24 -4.98 115.29 108.55 3if9 s HIS 176 Ca -0.01 0.63 -0.02 0.00 -1.54 0.00 0.00 55.06 54.12 3if9 s HIS 176 Cb 0.12 0.41 -0.01 0.00 0.04 0.00 0.00 32.58 33.14 3if9 s HIS 176 CO 0.83 -0.13 -0.10 0.08 -2.34 0.00 0.00 174.74 173.08 3if9 s VAL 177 N 0.21 3.08 -0.00 0.89 1.01 -1.26 -0.93 120.40 123.40 3if9 s VAL 177 Ca 0.04 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.46 3if9 s VAL 177 Cb -0.05 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 3if9 s VAL 177 CO -0.11 0.48 -0.18 -0.70 0.00 0.00 0.00 175.10 174.58 3if9 s GLU 178 N 1.02 1.43 -0.36 2.72 2.56 -0.12 -4.87 118.70 121.08 3if9 s GLU 178 Ca -0.01 -0.70 -0.06 0.00 0.00 0.00 0.00 54.97 54.21 3if9 s GLU 178 Cb -0.15 -1.41 0.06 0.00 2.00 0.00 0.00 34.13 34.63 3if9 s GLU 178 CO -0.01 0.38 0.14 1.03 -0.56 0.00 0.00 175.26 176.24 3if9 s ARG 179 N -0.57 2.51 -0.22 4.30 0.52 -1.26 -1.44 118.95 122.79 3if9 s ARG 179 Ca 0.07 -1.34 0.01 0.00 -0.52 0.00 0.00 55.73 53.95 3if9 s ARG 179 Cb -0.07 -3.52 0.03 0.00 0.52 0.00 0.00 34.95 31.91 3if9 s ARG 179 CO -0.00 -0.78 -0.15 -0.51 0.02 0.00 0.00 175.30 173.88 3if9 s ASP 180 N 1.61 3.73 1.12 0.23 1.01 -1.04 -5.02 116.67 118.31 3if9 s ASP 180 Ca 0.00 -0.93 0.00 0.00 0.71 0.00 0.00 52.55 52.33 3if9 s ASP 180 Cb -0.21 -1.53 0.00 0.00 1.01 0.00 0.00 42.92 42.20 3if9 s ASP 180 CO 0.01 -0.08 0.00 0.61 0.21 0.00 0.00 175.17 175.92 3if9 n GLY 181 N 4.56 1.73 0.68 0.21 0.00 -1.26 -2.31 105.19 108.80 3if9 n GLY 181 Ca -0.18 -0.51 0.13 0.00 0.00 0.00 0.00 46.02 45.46 3if9 n GLY 181 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3if9 n GLU 182 N 12.92 1.93 -3.96 1.61 4.71 -1.26 -4.96 120.64 131.63 3if9 n GLU 182 Ca 0.00 -1.37 -0.29 0.00 -0.01 0.00 0.00 57.16 55.49 3if9 n GLU 182 Cb 0.00 -1.46 -0.04 0.00 -1.01 0.00 0.00 31.44 28.93 3if9 n GLU 182 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3if9 s ALA 183 N -1.91 3.91 -0.03 0.62 0.00 -0.98 -5.12 121.76 118.26 3if9 s ALA 183 Ca 0.34 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.41 3if9 s ALA 183 Cb 0.20 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 3if9 s ALA 183 CO 0.31 0.69 -0.22 -1.17 0.00 0.00 0.00 175.76 175.37 3if9 s LEU 184 N -2.80 2.03 0.11 0.00 0.20 -1.26 -2.50 118.68 114.45 3if9 s LEU 184 Ca 0.34 -0.41 -0.16 0.00 0.69 0.00 0.00 54.13 54.59 3if9 s LEU 184 Cb -0.12 -1.16 0.03 0.00 -0.43 0.00 0.00 46.19 44.52 3if9 s LEU 184 CO 0.27 0.25 0.39 0.72 -0.29 0.00 0.00 176.35 177.69 3if9 s PHE 185 N -0.37 -0.20 0.16 5.38 -0.12 -0.52 -1.53 117.98 120.79 3if9 s PHE 185 Ca 0.04 -0.07 0.08 0.00 -0.05 0.00 0.00 56.93 56.94 3if9 s PHE 185 Cb -0.10 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.48 3if9 s PHE 185 CO 0.00 -0.67 -0.08 0.96 -0.05 0.00 0.00 175.22 175.39 3if9 s ILE 186 N -3.54 3.31 -0.15 -4.49 -4.36 -0.48 -0.94 121.20 110.56 3if9 s ILE 186 Ca 0.01 -1.54 -0.02 0.00 -0.26 0.00 0.00 60.65 58.84 3if9 s ILE 186 Cb 0.01 -2.63 -0.02 0.00 1.25 0.00 0.00 42.46 41.08 3if9 s ILE 186 CO -0.10 -0.07 -0.07 -0.54 0.24 0.00 0.00 174.94 174.40 3if9 s LYS 187 N -2.73 3.56 0.22 0.37 1.02 -0.10 -1.29 119.74 120.79 3if9 s LYS 187 Ca 0.25 -0.58 0.06 0.00 0.02 0.00 0.00 55.97 55.71 3if9 s LYS 187 Cb -0.09 -2.81 -0.05 0.00 -0.52 0.00 0.00 37.83 34.35 3if9 s LYS 187 CO 0.15 0.22 -0.09 0.95 -0.92 0.00 0.00 175.35 175.66 3if9 s THR 188 N 0.39 1.47 -0.26 2.17 -4.23 -0.75 -0.24 115.64 114.19 3if9 s THR 188 Ca -0.06 -2.13 0.22 0.00 -1.18 0.00 0.00 61.69 58.54 3if9 s THR 188 Cb -0.15 -2.17 0.22 0.00 1.34 0.00 0.00 72.50 71.74 3if9 s THR 188 CO 0.04 -0.49 1.67 -2.65 -0.54 0.00 0.00 174.62 172.65 3if9 n PRO 189 N -0.41 0.15 -0.73 3.99 -0.02 -1.26 -0.64 135.00 136.09 3if9 n PRO 189 Ca -0.07 0.59 0.08 0.00 -2.02 0.00 0.00 63.50 62.08 3if9 n PRO 189 Cb 0.62 -1.94 0.36 0.00 -0.02 0.00 0.00 33.50 32.52 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 -2.26 5.09 0.00 2.55 7.64 -1.26 -5.06 113.62 120.32 3if9 n SER 190 Ca -0.01 -2.79 0.00 0.00 1.01 0.00 0.00 58.87 57.09 3if9 n SER 190 Cb 0.08 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 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 0.57 0.87 3.78 0.23 0.00 0.19 -5.07 105.19 105.76 3if9 n GLY 191 Ca 0.26 -2.16 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 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 5.62 -0.09 1.61 1.01 -1.26 -1.81 116.67 121.75 3if9 s ASP 192 Ca 0.00 0.10 0.00 0.00 0.71 0.00 0.00 52.55 53.36 3if9 s ASP 192 Cb 0.00 -1.58 0.02 0.00 1.01 0.00 0.00 42.92 42.37 3if9 s ASP 192 CO 0.00 0.24 -0.08 -0.69 0.21 0.00 0.00 175.17 174.86 3if9 s VAL 193 N -1.24 0.96 0.38 -1.27 1.01 -0.41 -4.95 120.40 114.87 3if9 s VAL 193 Ca 0.25 -0.28 -0.26 0.00 0.00 0.00 0.00 61.98 61.68 3if9 s VAL 193 Cb -0.12 -0.97 -0.09 0.00 0.00 0.00 0.00 36.38 35.21 3if9 s VAL 193 CO 0.16 0.35 1.17 0.26 0.00 0.00 0.00 175.10 177.03 3if9 s TRP 194 N 1.44 3.15 -0.00 5.22 0.52 -0.71 -1.38 118.94 127.17 3if9 s TRP 194 Ca -0.01 1.56 -0.06 0.00 0.02 0.00 0.00 56.10 57.62 3if9 s TRP 194 Cb -0.13 -3.39 -0.00 0.00 -1.15 0.00 0.00 33.47 28.79 3if9 s TRP 194 CO -0.05 -1.23 0.11 0.00 0.02 0.00 0.00 176.95 175.80 3if9 s ALA 195 N -1.36 -0.24 0.02 0.98 0.00 -0.58 -1.09 121.76 119.47 3if9 s ALA 195 Ca 0.54 -0.15 0.11 0.00 0.00 0.00 0.00 51.96 52.46 3if9 s ALA 195 Cb -0.31 0.07 -0.22 0.00 0.00 0.00 0.00 23.12 22.66 3if9 s ALA 195 CO 0.40 -0.18 0.90 -0.91 0.00 0.00 0.00 175.76 175.97 3if9 h ASN 196 N 4.58 0.00 -4.04 0.00 2.35 -1.13 -3.36 115.58 113.98 3if9 h ASN 196 Ca -0.30 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.18 3if9 h ASN 196 Cb 1.20 0.00 -0.27 0.00 0.05 0.00 0.00 38.32 39.30 3if9 h ASN 196 CO 0.41 0.99 -0.73 -1.00 -1.65 0.00 0.00 177.43 175.45 3if9 s HIS 197 N -2.64 0.28 -0.10 1.19 3.76 -0.37 -4.78 115.29 112.63 3if9 s HIS 197 Ca -0.02 -0.14 0.02 0.00 -0.15 0.00 0.00 55.06 54.76 3if9 s HIS 197 Cb 0.09 -0.18 0.01 0.00 1.11 0.00 0.00 32.58 33.61 3if9 s HIS 197 CO 0.82 -0.03 -0.15 0.08 -0.85 0.00 0.00 174.74 174.61 3if9 s VAL 198 N -0.35 1.47 -0.20 -0.90 1.01 -0.10 -0.79 120.40 120.54 3if9 s VAL 198 Ca -0.02 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 3if9 s VAL 198 Cb -0.03 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 35.02 3if9 s VAL 198 CO -0.00 0.43 -0.11 -0.69 0.00 0.00 0.00 175.10 174.73 3if9 s VAL 199 N 0.88 2.88 -0.39 2.92 1.01 0.79 -0.46 120.40 128.02 3if9 s VAL 199 Ca -0.09 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 3if9 s VAL 199 Cb -0.15 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 33.97 3if9 s VAL 199 CO 0.00 0.47 0.64 -0.69 0.00 0.00 0.00 175.10 175.53 3if9 s VAL 200 N 1.30 4.86 -0.33 2.92 1.01 0.10 0.58 120.40 130.85 3if9 s VAL 200 Ca 0.04 0.41 0.17 0.00 0.00 0.00 0.00 61.98 62.59 3if9 s VAL 200 Cb -0.14 -4.13 0.46 0.00 0.00 0.00 0.00 36.38 32.58 3if9 s VAL 200 CO -0.06 -0.42 1.00 0.00 0.00 0.00 0.00 175.10 175.62 3if9 n ALA 201 N 6.13 3.58 -0.86 5.51 0.00 0.18 -0.44 120.51 134.61 3if9 n ALA 201 Ca -0.01 -3.26 0.03 0.00 0.00 0.00 0.00 53.44 50.20 3if9 n ALA 201 Cb 0.48 -0.86 0.37 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.20 5.38 0.00 0.00 7.64 -1.10 -4.16 113.62 121.18 3if9 n SER 202 Ca 0.14 -2.97 0.00 0.00 1.01 0.00 0.00 58.87 57.04 3if9 n SER 202 Cb 0.80 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 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 3.01 0.11 0.23 0.00 -1.26 -2.11 105.19 105.58 3if9 n GLY 203 Ca 0.30 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 0.79 1.53 1.61 3.14 -1.26 -1.90 118.33 122.24 3if9 n VAL 204 Ca 0.00 0.15 0.14 0.00 -2.96 0.00 0.00 64.34 61.66 3if9 n VAL 204 Cb 0.00 -1.04 0.55 0.00 -1.06 0.00 0.00 33.84 32.29 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 -2.15 0.02 0.29 1.45 8.01 -0.90 -4.37 117.44 119.79 3if9 n TRP 205 Ca 0.03 -0.01 0.18 0.00 -1.31 0.00 0.00 57.50 56.38 3if9 n TRP 205 Cb 0.26 0.00 0.83 0.00 -2.01 0.00 0.00 31.31 30.39 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 2.07 0.00 -0.75 -0.99 0.02 -1.43 -3.17 113.55 109.29 3if9 h SER 206 Ca 0.00 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.12 3if9 h SER 206 Cb 0.44 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.85 3if9 h SER 206 CO 0.00 0.04 -0.02 1.23 -1.14 0.00 0.00 176.83 176.93 3if9 h GLY 207 N 1.24 0.79 -0.94 -3.77 0.00 -1.84 -0.88 103.07 97.67 3if9 h GLY 207 Ca -0.00 0.13 0.18 0.00 0.00 0.00 0.00 47.33 47.63 3if9 h GLY 207 CO 0.00 -0.29 -0.27 -0.13 0.00 0.00 0.00 176.54 175.86 3if9 n MET 208 N -5.37 -0.12 -0.06 4.80 0.00 -1.20 -1.42 117.12 113.74 3if9 n MET 208 Ca 0.13 1.46 -0.15 0.00 0.00 0.00 0.00 57.70 59.13 3if9 n MET 208 Cb 0.46 -2.17 -0.06 0.00 0.00 0.00 0.00 33.22 31.45 3if9 n MET 208 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 175.97 176.71 3if9 h PHE 209 N 0.00 0.92 -0.37 1.12 -1.00 -1.41 -1.90 116.94 114.31 3if9 h PHE 209 Ca 0.42 -0.34 0.07 0.00 2.81 0.00 0.00 57.97 60.93 3if9 h PHE 209 Cb 0.65 -0.17 -0.06 0.00 3.61 0.00 0.00 35.95 39.98 3if9 h PHE 209 CO -0.75 1.13 -0.02 0.74 -1.61 0.00 0.00 178.31 177.80 3if9 h PHE 210 N 0.45 -0.06 -0.10 -0.55 -1.00 -1.11 -2.46 116.94 112.11 3if9 h PHE 210 Ca 0.00 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.84 3if9 h PHE 210 Cb 1.09 0.08 -0.03 0.00 3.61 0.00 0.00 35.95 40.70 3if9 h PHE 210 CO 0.08 -0.09 -0.06 0.87 -1.61 0.00 0.00 178.31 177.51 3if9 h LYS 211 N 0.08 -0.05 0.00 1.51 1.57 -1.11 -0.15 116.57 118.41 3if9 h LYS 211 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3if9 h LYS 211 Cb 0.26 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3if9 h LYS 211 CO -0.32 -0.04 0.08 1.96 -0.57 0.00 0.00 179.45 180.57 3if9 h GLN 212 N -0.06 0.00 -0.26 3.15 4.20 -1.02 -2.34 115.11 118.78 3if9 h GLN 212 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3if9 h GLN 212 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3if9 h GLN 212 CO -0.13 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.31 3if9 n LEU 213 N -2.62 3.29 0.00 1.46 4.77 -0.37 -4.96 117.00 118.57 3if9 n LEU 213 Ca -0.02 -2.56 0.00 0.00 -0.03 0.00 0.00 56.01 53.40 3if9 n LEU 213 Cb 0.13 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 3if9 n LEU 213 CO 0.13 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 3if9 n GLY 214 N -0.16 0.61 3.64 -0.72 0.00 -0.88 -5.04 105.19 102.63 3if9 n GLY 214 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 3.31 0.00 0.99 1.43 -0.21 -5.01 118.68 119.20 3if9 s LEU 215 Ca 0.00 -0.17 0.23 0.00 -1.03 0.00 0.00 54.13 53.16 3if9 s LEU 215 Cb 0.00 -1.99 0.49 0.00 0.03 0.00 0.00 46.19 44.72 3if9 s LEU 215 CO 0.00 0.23 1.43 -0.46 0.23 0.00 0.00 176.35 177.78 3if9 n ASN 216 N 1.05 3.09 -4.69 2.29 6.94 -1.26 -2.91 115.26 119.76 3if9 n ASN 216 Ca -0.13 -1.94 -0.44 0.00 -0.02 0.00 0.00 54.58 52.05 3if9 n ASN 216 Cb 0.52 -0.23 -0.04 0.00 -2.36 0.00 0.00 39.78 37.68 3if9 n ASN 216 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3if9 n ASN 217 N 1.25 3.64 -4.45 0.53 5.03 -1.26 -4.97 115.26 115.03 3if9 n ASN 217 Ca 0.19 1.05 -0.28 0.00 0.87 0.00 0.00 54.58 56.41 3if9 n ASN 217 Cb 0.55 -1.51 -0.12 0.00 -1.02 0.00 0.00 39.78 37.68 3if9 n ASN 217 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3if9 s ALA 218 N 1.45 2.56 -0.05 5.41 0.00 -1.26 -4.68 121.76 125.19 3if9 s ALA 218 Ca 0.78 -1.47 0.04 0.00 0.00 0.00 0.00 51.96 51.32 3if9 s ALA 218 Cb -0.58 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.05 3if9 s ALA 218 CO 0.36 0.53 -0.17 -0.06 0.00 0.00 0.00 175.76 176.41 3if9 s PHE 219 N -1.28 1.74 -0.16 0.00 0.40 -1.26 -4.48 117.98 112.94 3if9 s PHE 219 Ca 0.18 -0.51 0.01 0.00 -0.60 0.00 0.00 56.93 56.01 3if9 s PHE 219 Cb -0.10 -1.17 0.01 0.00 0.51 0.00 0.00 43.02 42.27 3if9 s PHE 219 CO 0.09 -0.18 -0.18 -1.17 0.70 0.00 0.00 175.22 174.48 3if9 s LEU 220 N 0.07 2.28 0.24 -0.37 2.96 -0.38 -4.95 118.68 118.53 3if9 s LEU 220 Ca -0.05 -0.56 -0.30 0.00 -0.22 0.00 0.00 54.13 53.01 3if9 s LEU 220 Cb -0.12 -1.51 -0.09 0.00 0.50 0.00 0.00 46.19 44.97 3if9 s LEU 220 CO 0.02 0.05 1.13 -2.16 -1.32 0.00 0.00 176.35 174.08 3if9 s PRO 221 N 0.98 4.58 -0.36 0.98 0.04 -1.26 -0.81 135.00 139.16 3if9 s PRO 221 Ca -0.03 1.82 -0.00 0.00 0.04 0.00 0.00 61.00 62.83 3if9 s PRO 221 Cb -0.15 -3.21 0.09 0.00 0.04 0.00 0.00 34.50 31.27 3if9 s PRO 221 CO -0.04 0.10 0.10 0.08 0.04 0.00 0.00 177.00 177.28 3if9 s VAL 222 N -0.71 2.87 0.24 -0.36 1.01 -0.53 -0.42 120.40 122.50 3if9 s VAL 222 Ca 0.48 -2.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.15 3if9 s VAL 222 Cb -0.32 -2.94 -0.10 0.00 0.00 0.00 0.00 36.38 33.02 3if9 s VAL 222 CO 0.39 -0.52 1.49 -0.75 0.00 0.00 0.00 175.10 175.71 3if9 s LYS 223 N 1.09 4.23 -0.11 2.72 2.20 -0.67 -2.09 119.74 127.11 3if9 s LYS 223 Ca 0.06 2.36 0.02 0.00 -0.36 0.00 0.00 55.97 58.05 3if9 s LYS 223 Cb -0.21 -3.10 0.01 0.00 -1.51 0.00 0.00 37.83 33.02 3if9 s LYS 223 CO -0.05 -0.49 -0.17 0.20 -0.36 0.00 0.00 175.35 174.48 3if9 s GLY 224 N 0.53 1.10 -0.04 5.54 0.00 0.17 -0.61 107.32 114.01 3if9 s GLY 224 Ca 0.62 -0.78 -0.01 0.00 0.00 0.00 0.00 44.72 44.55 3if9 s GLY 224 CO 0.42 0.14 0.04 -0.54 0.00 0.00 0.00 173.10 173.16 3if9 s GLU 225 N 0.89 3.00 0.12 2.90 2.02 -1.26 -0.89 118.70 125.48 3if9 s GLU 225 Ca -0.08 -0.46 -0.02 0.00 0.02 0.00 0.00 54.97 54.43 3if9 s GLU 225 Cb -0.15 -2.82 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 3if9 s GLU 225 CO -0.00 0.67 0.06 0.00 0.02 0.00 0.00 175.26 176.01 3if9 s LEU 227 N -3.03 1.55 -0.00 0.00 0.05 0.46 -1.95 118.68 115.76 3if9 s LEU 227 Ca 0.22 -1.07 0.06 0.00 0.05 0.00 0.00 54.13 53.38 3if9 s LEU 227 Cb 0.07 0.60 -0.02 0.00 -2.05 0.00 0.00 46.19 44.79 3if9 s LEU 227 CO 0.00 -0.77 -0.18 -0.94 -0.55 0.00 0.00 176.35 173.91 3if9 s SER 228 N -3.01 2.09 0.24 1.48 1.04 0.26 -0.24 113.70 115.57 3if9 s SER 228 Ca 0.20 -0.35 0.11 0.00 0.48 0.00 0.00 55.95 56.39 3if9 s SER 228 Cb 0.06 -0.22 -0.05 0.00 0.10 0.00 0.00 66.02 65.91 3if9 s SER 228 CO 0.00 0.20 -0.20 0.68 0.98 0.00 0.00 173.24 174.90 3if9 s VAL 229 N -0.49 2.29 -0.22 5.02 -7.23 -0.94 0.80 120.40 119.62 3if9 s VAL 229 Ca 0.07 -2.27 -0.21 0.00 -1.81 0.00 0.00 61.98 57.76 3if9 s VAL 229 Cb -0.07 -2.19 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 3if9 s VAL 229 CO -0.00 -0.37 0.63 0.26 -0.31 0.00 0.00 175.10 175.30 3if9 s TRP 230 N -2.39 3.34 -0.94 2.82 0.52 -0.14 -0.21 118.94 121.92 3if9 s TRP 230 Ca 0.26 0.88 -0.13 0.00 0.02 0.00 0.00 56.10 57.13 3if9 s TRP 230 Cb -0.05 -2.81 0.22 0.00 -1.15 0.00 0.00 33.47 29.68 3if9 s TRP 230 CO 0.12 -0.23 0.96 1.21 0.02 0.00 0.00 176.95 179.03 3if9 s ASN 231 N 1.30 6.91 0.01 2.95 2.47 -0.55 -3.99 114.94 124.04 3if9 s ASN 231 Ca 0.28 -2.84 0.23 0.00 0.42 0.00 0.00 52.86 50.94 3if9 s ASN 231 Cb -0.16 -2.25 0.06 0.00 -1.45 0.00 0.00 41.25 37.45 3if9 s ASN 231 CO 0.10 -0.59 1.08 0.47 -3.72 0.00 0.00 177.10 174.43 3if9 n ASP 232 N 4.17 0.72 -0.11 -4.21 8.00 -1.26 -4.66 116.55 119.20 3if9 n ASP 232 Ca 0.20 -0.54 -0.18 0.00 0.71 0.00 0.00 54.79 54.97 3if9 n ASP 232 Cb 0.45 0.75 -0.09 0.00 -0.02 0.00 0.00 41.12 42.21 3if9 n ASP 232 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3if9 n ASP 233 N -1.64 2.05 -4.58 -2.24 10.43 -1.26 -5.06 116.55 114.26 3if9 n ASP 233 Ca 0.04 0.04 -0.23 0.00 2.57 0.00 0.00 54.79 57.21 3if9 n ASP 233 Cb 0.37 -0.46 -0.08 0.00 1.84 0.00 0.00 41.12 42.78 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 -2.41 3.04 0.08 0.53 -4.36 -1.26 -5.13 121.20 111.69 3if9 s ILE 234 Ca -0.29 -2.11 -0.21 0.00 -0.26 0.00 0.00 60.65 57.77 3if9 s ILE 234 Cb 0.09 -2.63 -0.07 0.00 1.25 0.00 0.00 42.46 41.10 3if9 s ILE 234 CO 0.45 -0.38 0.63 -2.16 0.24 0.00 0.00 174.94 173.71 3if9 s PRO 235 N -3.61 4.31 -0.25 0.37 0.04 -1.26 -5.02 135.00 129.58 3if9 s PRO 235 Ca 0.31 0.85 -0.05 0.00 0.04 0.00 0.00 61.00 62.15 3if9 s PRO 235 Cb -0.06 -3.26 0.13 0.00 0.04 0.00 0.00 34.50 31.36 3if9 s PRO 235 CO 0.18 0.57 0.48 -1.17 0.04 0.00 0.00 177.00 177.11 3if9 s LEU 236 N -0.95 -0.89 -0.24 -3.56 2.96 -1.26 -4.82 118.68 109.91 3if9 s LEU 236 Ca 0.31 0.79 0.01 0.00 -0.22 0.00 0.00 54.13 55.03 3if9 s LEU 236 Cb -0.20 1.61 -0.15 0.00 0.50 0.00 0.00 46.19 47.94 3if9 s LEU 236 CO 0.21 -0.26 -0.21 0.41 -1.32 0.00 0.00 176.35 175.17 3if9 n THR 237 N 5.40 1.36 -3.34 3.68 -1.04 -1.26 -4.81 114.28 114.27 3if9 n THR 237 Ca -0.06 -0.52 -0.38 0.00 -2.04 0.00 0.00 64.05 61.05 3if9 n THR 237 Cb 0.50 -1.35 -0.06 0.00 -1.82 0.00 0.00 70.33 67.60 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 -2.48 4.13 0.33 -2.82 1.02 -1.26 -4.62 119.74 114.05 3if9 s LYS 238 Ca -0.32 0.62 -0.29 0.00 0.02 0.00 0.00 55.97 56.00 3if9 s LYS 238 Cb 0.08 -3.25 -0.11 0.00 -0.52 0.00 0.00 37.83 34.03 3if9 s LYS 238 CO 0.55 0.60 1.47 0.99 -0.92 0.00 0.00 175.35 178.04 3if9 s THR 239 N -0.92 2.26 -0.06 2.17 2.01 -0.53 -4.76 115.64 115.81 3if9 s THR 239 Ca 0.27 0.24 -0.02 0.00 0.31 0.00 0.00 61.69 62.49 3if9 s THR 239 Cb -0.18 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 3if9 s THR 239 CO 0.17 0.05 0.05 -0.76 -0.69 0.00 0.00 174.62 173.44 3if9 s LEU 240 N -1.41 3.83 -0.11 4.42 1.43 -0.55 -0.33 118.68 125.96 3if9 s LEU 240 Ca 0.56 0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 53.79 3if9 s LEU 240 Cb -0.45 -2.01 0.04 0.00 0.03 0.00 0.00 46.19 43.80 3if9 s LEU 240 CO 0.55 0.35 0.26 -0.47 0.23 0.00 0.00 176.35 177.26 3if9 s TYR 241 N -1.02 -0.33 -0.28 0.29 5.04 -0.69 -1.50 117.35 118.86 3if9 s TYR 241 Ca 0.17 0.78 -0.16 0.00 -2.44 0.00 0.00 57.07 55.41 3if9 s TYR 241 Cb -0.12 0.08 0.09 0.00 0.35 0.00 0.00 41.96 42.36 3if9 s TYR 241 CO 0.07 -0.21 0.75 -1.58 -1.34 0.00 0.00 175.55 173.24 3if9 s HIS 242 N 0.88 -0.95 -1.22 4.97 2.46 -0.75 -0.72 115.29 119.96 3if9 s HIS 242 Ca -0.06 1.92 -0.22 0.00 0.47 0.00 0.00 55.06 57.17 3if9 s HIS 242 Cb -0.07 0.57 0.01 0.00 -0.13 0.00 0.00 32.58 32.95 3if9 s HIS 242 CO -0.06 -0.47 0.67 -3.47 -2.47 0.00 0.00 174.74 168.94 3if9 n ASP 243 N 4.13 -3.99 0.00 9.88 2.03 -1.26 -1.79 116.55 125.54 3if9 n ASP 243 Ca -0.19 -1.12 0.00 0.00 0.52 0.00 0.00 54.79 53.99 3if9 n ASP 243 Cb 0.59 -2.70 0.00 0.00 -0.72 0.00 0.00 41.12 38.28 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 -4.52 0.00 -2.37 -1.67 0.00 -1.26 -4.97 120.51 105.72 3if9 n ALA 244 Ca -0.14 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.10 3if9 n ALA 244 Cb 0.60 -0.71 -0.02 0.00 0.00 0.00 0.00 19.45 19.32 3if9 n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3if9 s TYR 246 N -2.31 -0.56 -0.16 0.00 -0.85 0.11 -1.81 117.35 111.77 3if9 s TYR 246 Ca 0.45 0.75 0.00 0.00 -0.52 0.00 0.00 57.07 57.76 3if9 s TYR 246 Cb -0.07 0.47 0.03 0.00 0.38 0.00 0.00 41.96 42.77 3if9 s TYR 246 CO 0.29 -0.63 -0.12 0.42 -1.52 0.00 0.00 175.55 173.99 3if9 s ILE 247 N -2.07 1.50 -0.22 -3.49 1.01 -0.56 -2.37 121.20 114.99 3if9 s ILE 247 Ca -0.05 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 3if9 s ILE 247 Cb -0.00 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 41.00 3if9 s ILE 247 CO 0.01 0.34 -0.10 -0.69 0.00 0.00 0.00 174.94 174.50 3if9 s VAL 248 N 1.49 2.72 -0.44 2.92 1.01 0.60 -1.48 120.40 127.24 3if9 s VAL 248 Ca 0.03 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.85 3if9 s VAL 248 Cb -0.14 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.96 3if9 s VAL 248 CO -0.09 0.32 0.81 -2.16 0.00 0.00 0.00 175.10 173.98 3if9 s PRO 249 N 1.34 3.49 0.46 2.72 0.04 -1.26 -0.05 135.00 141.74 3if9 s PRO 249 Ca 0.02 0.02 0.01 0.00 0.04 0.00 0.00 61.00 61.09 3if9 s PRO 249 Cb -0.15 -3.91 0.01 0.00 0.04 0.00 0.00 34.50 30.48 3if9 s PRO 249 CO -0.07 -1.09 0.68 1.03 0.04 0.00 0.00 177.00 177.59 3if9 s ARG 250 N 3.34 2.93 0.00 4.56 0.52 -0.13 -4.99 118.95 125.19 3if9 s ARG 250 Ca 0.31 -0.62 0.14 0.00 -0.52 0.00 0.00 55.73 55.04 3if9 s ARG 250 Cb -0.12 -2.57 0.66 0.00 0.52 0.00 0.00 34.95 33.44 3if9 s ARG 250 CO 0.22 -0.35 1.39 1.63 0.02 0.00 0.00 175.30 178.21 3if9 n LYS 251 N -2.10 0.13 0.06 3.54 5.02 -1.26 -1.56 118.16 121.99 3if9 n LYS 251 Ca 0.03 0.19 0.12 0.00 -2.02 0.00 0.00 58.31 56.63 3if9 n LYS 251 Cb 0.58 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 34.23 3if9 n LYS 251 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3if9 h SER 252 N 0.00 0.00 0.00 4.39 4.64 -2.02 -3.47 113.55 117.09 3if9 h SER 252 Ca 0.00 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3if9 h SER 252 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3if9 h SER 252 CO 0.00 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 3if9 n GLY 253 N 1.33 1.08 3.78 -0.77 0.00 -0.60 -5.03 105.19 104.98 3if9 n GLY 253 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.91 3.26 -0.07 1.61 0.52 -1.26 -1.48 118.95 120.62 3if9 s ARG 254 Ca 0.00 1.47 -0.03 0.00 -0.52 0.00 0.00 55.73 56.65 3if9 s ARG 254 Cb 0.00 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.43 3if9 s ARG 254 CO 0.00 -0.89 0.09 -0.51 0.02 0.00 0.00 175.30 174.01 3if9 s LEU 255 N -4.12 4.03 -0.14 2.53 1.43 0.70 -0.96 118.68 122.15 3if9 s LEU 255 Ca 0.69 0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 54.02 3if9 s LEU 255 Cb -0.21 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 3if9 s LEU 255 CO 0.31 0.35 0.06 -0.69 0.23 0.00 0.00 176.35 176.61 3if9 s VAL 256 N -1.06 4.80 -0.03 -1.59 1.01 0.93 -2.22 120.40 122.25 3if9 s VAL 256 Ca 0.18 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.12 3if9 s VAL 256 Cb -0.12 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.18 3if9 s VAL 256 CO 0.07 0.54 -0.01 -0.69 0.00 0.00 0.00 175.10 175.02 3if9 s VAL 257 N -0.33 0.21 -0.04 2.92 1.01 0.67 -0.29 120.40 124.56 3if9 s VAL 257 Ca 0.09 0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.94 3if9 s VAL 257 Cb -0.12 -0.28 0.05 0.00 0.00 0.00 0.00 36.38 36.03 3if9 s VAL 257 CO 0.02 0.14 0.71 0.61 0.00 0.00 0.00 175.10 176.57 3if9 n GLY 258 N 3.93 0.26 3.39 4.51 0.00 -1.00 -0.40 105.19 115.87 3if9 n GLY 258 Ca -0.25 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.72 3if9 n GLY 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3if9 s ALA 259 N -1.52 -1.32 0.77 4.61 0.00 -1.26 0.03 121.76 123.08 3if9 s ALA 259 Ca 0.17 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.66 3if9 s ALA 259 Cb -0.00 0.32 0.06 0.00 0.00 0.00 0.00 23.12 23.50 3if9 s ALA 259 CO -0.01 -0.47 1.10 0.95 0.00 0.00 0.00 175.76 177.32 3if9 s THR 260 N -2.24 3.20 -0.30 0.00 -4.23 -1.15 -4.81 115.64 106.10 3if9 s THR 260 Ca -0.06 0.41 0.02 0.00 -1.18 0.00 0.00 61.69 60.88 3if9 s THR 260 Cb -0.01 -2.86 0.09 0.00 1.34 0.00 0.00 72.50 71.06 3if9 s THR 260 CO -0.00 -0.49 0.02 -0.04 -0.54 0.00 0.00 174.62 173.57 3if9 s MET 261 N -4.78 1.45 -0.49 3.99 -1.94 -1.25 -4.05 119.30 112.23 3if9 s MET 261 Ca 0.62 -1.49 0.02 0.00 -1.71 0.00 0.00 55.69 53.14 3if9 s MET 261 Cb -0.18 -2.81 0.13 0.00 2.01 0.00 0.00 34.83 33.98 3if9 s MET 261 CO 0.54 -0.84 0.24 0.15 -0.01 0.00 0.00 175.02 175.10 3if9 s LYS 262 N 1.16 1.97 0.29 2.03 1.02 0.23 -4.91 119.74 121.53 3if9 s LYS 262 Ca 0.05 -2.35 -0.29 0.00 0.02 0.00 0.00 55.97 53.40 3if9 s LYS 262 Cb -0.19 -3.40 -0.10 0.00 -0.52 0.00 0.00 37.83 33.63 3if9 s LYS 262 CO -0.11 -1.08 1.31 -2.14 -0.92 0.00 0.00 175.35 172.41 3if9 s PRO 263 N 0.17 4.37 0.00 -1.68 0.02 -1.26 -1.67 135.00 134.96 3if9 s PRO 263 Ca 0.15 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.33 3if9 s PRO 263 Cb -0.23 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.18 3if9 s PRO 263 CO -0.03 -0.20 0.00 0.41 -0.33 0.00 0.00 177.00 176.85 3if9 n GLY 264 N 1.31 1.00 3.53 0.52 0.00 0.44 -4.94 105.19 107.05 3if9 n GLY 264 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.05 6.19 0.00 1.61 -1.08 -1.15 -4.93 116.67 114.26 3if9 s ASP 265 Ca 0.00 -0.29 0.25 0.00 -0.52 0.00 0.00 52.55 51.99 3if9 s ASP 265 Cb 0.00 -2.21 0.91 0.00 -1.46 0.00 0.00 42.92 40.16 3if9 s ASP 265 CO 0.00 -0.39 1.65 0.79 0.52 0.00 0.00 175.17 177.74 3if9 n TRP 266 N 5.45 0.10 -3.11 -5.34 7.02 -1.26 -4.07 117.44 116.22 3if9 n TRP 266 Ca -0.08 -0.05 -0.38 0.00 -1.02 0.00 0.00 57.50 55.97 3if9 n TRP 266 Cb 0.49 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.32 3if9 n TRP 266 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3if9 s SER 267 N -1.80 7.16 -0.18 -0.99 1.04 -1.26 -4.99 113.70 112.68 3if9 s SER 267 Ca 0.35 1.44 0.16 0.00 0.48 0.00 0.00 55.95 58.39 3if9 s SER 267 Cb 0.19 -2.43 0.55 0.00 0.10 0.00 0.00 66.02 64.44 3if9 s SER 267 CO 0.30 0.16 1.45 -0.62 0.98 0.00 0.00 173.24 175.51 3if9 n GLU 268 N 1.27 3.09 -4.51 4.02 1.02 -1.26 -4.84 120.64 119.43 3if9 n GLU 268 Ca -0.06 -2.87 -0.22 0.00 -0.02 0.00 0.00 57.16 54.00 3if9 n GLU 268 Cb 0.50 -1.88 -0.16 0.00 -0.02 0.00 0.00 31.44 29.89 3if9 n GLU 268 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3if9 s THR 269 N -2.81 0.96 0.47 2.62 -4.23 -1.26 -4.02 115.64 107.36 3if9 s THR 269 Ca 0.43 -0.46 -0.23 0.00 -1.18 0.00 0.00 61.69 60.24 3if9 s THR 269 Cb 0.35 -0.84 -0.07 0.00 1.34 0.00 0.00 72.50 73.28 3if9 s THR 269 CO 0.09 0.29 1.25 -2.16 -0.54 0.00 0.00 174.62 173.55 3if9 s PRO 270 N 0.09 3.67 0.50 3.99 0.04 -1.26 -4.94 135.00 137.09 3if9 s PRO 270 Ca -0.02 1.99 0.07 0.00 0.04 0.00 0.00 61.00 63.07 3if9 s PRO 270 Cb -0.09 -2.47 0.04 0.00 0.04 0.00 0.00 34.50 32.03 3if9 s PRO 270 CO 0.01 -0.69 0.69 0.16 0.04 0.00 0.00 177.00 177.21 3if9 s ASP 271 N -1.09 5.36 0.17 6.66 3.84 -1.26 -4.99 116.67 125.35 3if9 s ASP 271 Ca 0.64 -0.47 -0.10 0.00 -0.00 0.00 0.00 52.55 52.62 3if9 s ASP 271 Cb -0.34 -0.39 0.04 0.00 -1.38 0.00 0.00 42.92 40.85 3if9 s ASP 271 CO 0.42 -1.05 1.61 0.25 -0.00 0.00 0.00 175.17 176.39 3if9 h LEU 272 N 0.35 1.01 -0.99 2.11 6.46 -2.00 -2.76 115.31 119.48 3if9 h LEU 272 Ca -0.37 -0.33 -0.04 0.00 -0.12 0.00 0.00 57.88 57.01 3if9 h LEU 272 Cb 1.28 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.91 3if9 h LEU 272 CO 0.45 1.10 0.21 1.23 -0.62 0.00 0.00 178.44 180.81 3if9 h GLY 273 N 0.90 1.01 0.84 3.75 0.00 -2.00 -2.54 103.07 105.03 3if9 h GLY 273 Ca 0.15 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 3if9 h GLY 273 CO 0.04 0.52 0.03 -1.33 0.00 0.00 0.00 176.54 175.80 3if9 h GLY 274 N 1.02 0.12 1.18 4.60 0.00 -1.90 -2.78 103.07 105.33 3if9 h GLY 274 Ca 0.21 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 3if9 h GLY 274 CO -0.01 0.07 0.08 1.41 0.00 0.00 0.00 176.54 178.09 3if9 h LEU 275 N -0.05 0.96 -0.59 3.11 3.38 -1.41 -2.20 115.31 118.50 3if9 h LEU 275 Ca 0.02 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3if9 h LEU 275 Cb 0.19 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3if9 h LEU 275 CO -0.00 0.96 0.37 -0.08 0.09 0.00 0.00 178.44 179.78 3if9 h GLU 276 N 0.94 0.79 0.00 1.13 4.81 -1.41 -0.65 114.58 120.18 3if9 h GLU 276 Ca 0.19 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 3if9 h GLU 276 Cb 0.43 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 3if9 h GLU 276 CO 0.01 0.56 -0.12 0.66 -0.73 0.00 0.00 179.01 179.40 3if9 h SER 277 N 0.80 0.00 0.18 1.04 4.64 -1.20 0.15 113.55 119.16 3if9 h SER 277 Ca 0.21 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.28 3if9 h SER 277 Cb -0.04 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3if9 h SER 277 CO -0.04 0.12 -1.04 0.58 -0.87 0.00 0.00 176.83 175.57 3if9 h VAL 278 N 0.00 1.34 0.20 0.95 2.07 -0.91 -2.54 116.25 117.35 3if9 h VAL 278 Ca -0.00 -2.39 -0.01 0.00 0.82 0.00 0.00 66.70 65.12 3if9 h VAL 278 Cb 0.75 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 3if9 h VAL 278 CO 0.02 0.73 -0.10 0.24 0.02 0.00 0.00 177.57 178.48 3if9 h MET 279 N 0.30 -0.26 -0.47 1.57 2.07 -0.54 -1.04 114.93 116.56 3if9 h MET 279 Ca -0.12 0.02 0.10 0.00 -2.07 0.00 0.00 59.70 57.62 3if9 h MET 279 Cb 1.69 0.06 -0.10 0.00 -1.87 0.00 0.00 31.60 31.38 3if9 h MET 279 CO 0.19 -0.03 -0.23 -0.22 1.07 0.00 0.00 176.91 177.70 3if9 h LYS 280 N -0.45 -0.12 -0.59 1.72 3.64 -0.80 -1.97 116.57 118.00 3if9 h LYS 280 Ca -0.03 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 3if9 h LYS 280 Cb 0.35 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3if9 h LYS 280 CO 0.04 -0.08 0.05 -0.22 -2.27 0.00 0.00 179.45 176.98 3if9 h LYS 281 N -0.13 1.01 -0.86 1.90 1.63 -1.41 -2.96 116.57 115.75 3if9 h LYS 281 Ca 0.22 -0.29 0.04 0.00 -0.85 0.00 0.00 60.65 59.77 3if9 h LYS 281 Cb 0.47 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.94 3if9 h LYS 281 CO -0.55 0.97 0.55 0.00 -3.45 0.00 0.00 179.45 176.96 3if9 h ALA 282 N 1.00 1.14 -0.38 5.00 0.00 -0.68 -2.87 119.26 122.47 3if9 h ALA 282 Ca 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3if9 h ALA 282 Cb 0.48 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3if9 h ALA 282 CO 0.02 0.37 0.08 0.87 0.00 0.00 0.00 179.25 180.59 3if9 h LYS 283 N 1.05 0.55 0.00 0.00 1.57 -1.20 -1.08 116.57 117.46 3if9 h LYS 283 Ca 0.35 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3if9 h LYS 283 Cb 0.04 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3if9 h LYS 283 CO -0.13 0.52 0.00 0.25 -0.57 0.00 0.00 179.45 179.52 3if9 n THR 284 N -4.33 0.85 -0.09 -0.16 -2.24 -1.08 -1.99 114.28 105.23 3if9 n THR 284 Ca 0.02 0.20 -0.11 0.00 -2.27 0.00 0.00 64.05 61.89 3if9 n THR 284 Cb 0.19 -0.96 -0.10 0.00 -2.10 0.00 0.00 70.33 67.36 3if9 n THR 284 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3if9 n MET 285 N -1.66 0.87 -3.18 -0.78 2.81 -0.69 -4.75 117.12 109.74 3if9 n MET 285 Ca 0.04 0.07 -0.21 0.00 -1.81 0.00 0.00 57.70 55.78 3if9 n MET 285 Cb 0.21 -1.40 -0.06 0.00 -0.71 0.00 0.00 33.22 31.26 3if9 n MET 285 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3if9 n LEU 286 N -2.89 -0.95 -0.27 4.03 7.94 -0.50 -2.19 117.00 122.18 3if9 n LEU 286 Ca -0.31 -4.16 0.15 0.00 -1.11 0.00 0.00 56.01 50.57 3if9 n LEU 286 Cb 0.93 0.64 0.28 0.00 0.53 0.00 0.00 43.42 45.79 3if9 n LEU 286 CO 0.25 1.95 0.68 -2.65 -1.11 0.00 0.00 177.39 176.51 3if9 n PRO 287 N 2.30 -0.06 0.07 1.96 -0.02 -0.84 0.25 135.00 138.66 3if9 n PRO 287 Ca 0.24 1.18 0.21 0.00 -2.02 0.00 0.00 63.50 63.10 3if9 n PRO 287 Cb 0.52 -1.92 0.73 0.00 -0.02 0.00 0.00 33.50 32.81 3if9 n PRO 287 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3if9 h ALA 288 N 1.60 2.17 -0.17 3.55 0.00 -1.88 -2.24 119.26 122.29 3if9 h ALA 288 Ca 0.52 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.44 3if9 h ALA 288 Cb 1.15 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3if9 h ALA 288 CO -0.72 -0.73 0.12 0.97 0.00 0.00 0.00 179.25 178.89 3if9 h ILE 289 N 0.00 0.97 -0.30 0.00 2.10 -0.57 -2.26 117.51 117.45 3if9 h ILE 289 Ca 0.22 -0.04 0.09 0.00 1.08 0.00 0.00 64.86 66.20 3if9 h ILE 289 Cb 1.20 0.85 -0.01 0.00 -1.09 0.00 0.00 36.82 37.77 3if9 h ILE 289 CO -0.00 0.02 0.26 0.06 -1.08 0.00 0.00 178.15 177.41 3if9 h GLN 290 N 0.11 0.00 -0.61 2.19 3.07 -1.60 -0.35 115.11 117.92 3if9 h GLN 290 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.81 3if9 h GLN 290 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.72 3if9 h GLN 290 CO -0.01 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.00 3if9 n ASN 291 N -4.12 3.32 -4.87 0.06 3.02 -0.85 -4.94 115.26 106.88 3if9 n ASN 291 Ca 0.04 -2.04 -0.33 0.00 -0.03 0.00 0.00 54.58 52.22 3if9 n ASN 291 Cb 0.42 -0.42 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 3if9 n ASN 291 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3if9 s MET 292 N -1.26 3.75 0.02 3.52 -1.94 -0.14 -5.06 119.30 118.20 3if9 s MET 292 Ca 0.41 0.16 -0.30 0.00 -1.71 0.00 0.00 55.69 54.24 3if9 s MET 292 Cb 0.22 -2.88 -0.04 0.00 2.01 0.00 0.00 34.83 34.13 3if9 s MET 292 CO 0.27 0.48 1.09 0.15 -0.01 0.00 0.00 175.02 177.00 3if9 s LYS 293 N -2.29 4.49 0.34 2.03 1.02 -1.26 -4.88 119.74 119.20 3if9 s LYS 293 Ca 0.38 1.59 -0.28 0.00 0.02 0.00 0.00 55.97 57.69 3if9 s LYS 293 Cb -0.13 -3.41 -0.10 0.00 -0.52 0.00 0.00 37.83 33.67 3if9 s LYS 293 CO 0.20 -0.17 1.21 0.08 -0.92 0.00 0.00 175.35 175.75 3if9 s VAL 294 N 1.12 3.07 -0.01 3.17 1.01 -1.26 -0.97 120.40 126.53 3if9 s VAL 294 Ca 0.55 1.02 -0.02 0.00 0.00 0.00 0.00 61.98 63.53 3if9 s VAL 294 Cb -0.25 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 3if9 s VAL 294 CO 0.28 0.20 -0.03 -0.67 0.00 0.00 0.00 175.10 174.88 3if9 n ASP 295 N 0.69 0.32 -4.12 3.32 -0.08 0.24 -4.84 116.55 112.08 3if9 n ASP 295 Ca 0.01 0.05 -0.13 0.00 -1.51 0.00 0.00 54.79 53.21 3if9 n ASP 295 Cb 0.44 -0.29 -0.11 0.00 2.34 0.00 0.00 41.12 43.50 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 -1.30 0.69 -0.02 -0.67 1.81 -1.15 -4.96 118.95 113.36 3if9 s ARG 296 Ca -0.03 -0.99 0.05 0.00 -1.72 0.00 0.00 55.73 53.04 3if9 s ARG 296 Cb 0.00 -0.37 -0.01 0.00 -0.45 0.00 0.00 34.95 34.12 3if9 s ARG 296 CO 0.04 0.05 -0.16 -0.59 -0.68 0.00 0.00 175.30 173.96 3if9 s PHE 297 N -2.11 1.51 0.28 -0.53 -0.71 -1.26 -0.58 117.98 114.58 3if9 s PHE 297 Ca -0.01 -0.31 -0.15 0.00 -1.04 0.00 0.00 56.93 55.41 3if9 s PHE 297 Cb -0.05 -0.98 0.01 0.00 -1.21 0.00 0.00 43.02 40.79 3if9 s PHE 297 CO -0.01 -0.05 0.60 1.67 -1.34 0.00 0.00 175.22 176.10 3if9 s TRP 298 N -0.30 0.18 0.06 3.49 -2.14 -0.82 -4.93 118.94 114.49 3if9 s TRP 298 Ca 0.04 -0.61 -0.07 0.00 2.66 0.00 0.00 56.10 58.12 3if9 s TRP 298 Cb -0.07 0.44 -0.01 0.00 -3.10 0.00 0.00 33.47 30.72 3if9 s TRP 298 CO -0.00 -1.16 0.14 0.00 -2.66 0.00 0.00 176.95 173.26 3if9 s ALA 299 N -3.71 -0.10 0.09 2.67 0.00 -1.26 -1.02 121.76 118.44 3if9 s ALA 299 Ca 0.18 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.38 3if9 s ALA 299 Cb -0.03 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.47 3if9 s ALA 299 CO 0.09 -0.43 0.26 0.20 0.00 0.00 0.00 175.76 175.89 3if9 s GLY 300 N -2.60 -0.04 -0.43 0.00 0.00 -0.07 -4.74 107.32 99.44 3if9 s GLY 300 Ca 0.02 -0.38 -0.13 0.00 0.00 0.00 0.00 44.72 44.23 3if9 s GLY 300 CO -0.08 -0.59 0.31 1.08 0.00 0.00 0.00 173.10 173.82 3if9 s LEU 301 N -2.72 5.24 0.17 0.66 1.43 -1.26 -0.66 118.68 121.55 3if9 s LEU 301 Ca 0.03 -1.24 -0.30 0.00 -1.03 0.00 0.00 54.13 51.58 3if9 s LEU 301 Cb 0.03 -2.09 -0.08 0.00 0.03 0.00 0.00 46.19 44.08 3if9 s LEU 301 CO -0.10 -0.54 1.27 -0.13 0.23 0.00 0.00 176.35 177.08 3if9 s ARG 302 N 1.57 4.42 -0.75 1.70 0.52 -0.89 -4.76 118.95 120.77 3if9 s ARG 302 Ca 0.03 1.97 -0.24 0.00 -0.52 0.00 0.00 55.73 56.97 3if9 s ARG 302 Cb -0.22 -3.23 0.05 0.00 0.52 0.00 0.00 34.95 32.07 3if9 s ARG 302 CO 0.06 -0.21 1.17 -1.25 0.02 0.00 0.00 175.30 175.09 3if9 s PRO 303 N 0.06 3.23 0.09 3.54 0.05 -1.26 -1.45 135.00 139.25 3if9 s PRO 303 Ca 0.56 -0.65 -0.11 0.00 0.05 0.00 0.00 61.00 60.85 3if9 s PRO 303 Cb -0.35 -4.37 -0.06 0.00 0.05 0.00 0.00 34.50 29.78 3if9 s PRO 303 CO 0.36 -2.01 0.44 0.20 0.05 0.00 0.00 177.00 176.04 3if9 s GLY 304 N 3.84 2.38 0.35 0.56 0.00 0.01 -3.01 107.32 111.46 3if9 s GLY 304 Ca 0.31 -0.31 0.07 0.00 0.00 0.00 0.00 44.72 44.79 3if9 s GLY 304 CO 0.09 -0.07 -0.02 -0.51 0.00 0.00 0.00 173.10 172.59 3if9 s THR 305 N -1.39 1.85 0.27 0.90 -4.23 -1.26 -1.25 115.64 110.54 3if9 s THR 305 Ca 0.34 -2.08 -0.01 0.00 -1.18 0.00 0.00 61.69 58.76 3if9 s THR 305 Cb -0.14 -2.77 0.30 0.00 1.34 0.00 0.00 72.50 71.23 3if9 s THR 305 CO 0.18 -0.11 1.64 0.50 -0.54 0.00 0.00 174.62 176.30 3if9 h LYS 306 N 1.99 0.18 -0.24 3.99 3.64 -1.90 -1.85 116.57 122.38 3if9 h LYS 306 Ca -0.42 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3if9 h LYS 306 Cb 1.24 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3if9 h LYS 306 CO 0.74 0.12 0.00 -0.40 -2.27 0.00 0.00 179.45 177.63 3if9 n ASP 307 N -5.26 2.73 -0.03 4.20 3.85 -1.26 -5.00 116.55 115.79 3if9 n ASP 307 Ca 0.19 -2.10 -0.00 0.00 -0.71 0.00 0.00 54.79 52.17 3if9 n ASP 307 Cb 0.61 -0.20 -0.00 0.00 -1.35 0.00 0.00 41.12 40.19 3if9 n ASP 307 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3if9 n GLY 308 N 0.12 0.41 3.42 6.12 0.00 -0.70 -5.02 105.19 109.55 3if9 n GLY 308 Ca 0.09 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.60 1.86 0.66 1.61 -0.14 -1.26 -4.69 119.74 117.17 3if9 s LYS 309 Ca 0.00 -1.10 -0.15 0.00 -1.36 0.00 0.00 55.97 53.36 3if9 s LYS 309 Cb 0.00 -2.08 -0.00 0.00 -1.68 0.00 0.00 37.83 34.07 3if9 s LYS 309 CO 0.00 0.51 1.11 -1.25 -0.76 0.00 0.00 175.35 174.97 3if9 s PRO 310 N -1.57 2.80 -0.32 -1.68 0.04 -1.12 -4.78 135.00 128.37 3if9 s PRO 310 Ca 0.14 1.41 -0.19 0.00 0.04 0.00 0.00 61.00 62.41 3if9 s PRO 310 Cb -0.10 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 3if9 s PRO 310 CO 0.05 -1.26 0.54 0.71 0.04 0.00 0.00 177.00 177.09 3if9 s TYR 311 N -2.30 3.20 -0.25 0.56 1.51 0.27 -4.56 117.35 115.77 3if9 s TYR 311 Ca 0.67 0.37 -0.03 0.00 -1.01 0.00 0.00 57.07 57.07 3if9 s TYR 311 Cb -0.21 -2.90 0.08 0.00 -0.11 0.00 0.00 41.96 38.82 3if9 s TYR 311 CO 0.41 -0.47 0.08 0.42 -1.11 0.00 0.00 175.55 174.88 3if9 s ILE 312 N 2.44 0.41 -5.00 2.71 1.01 0.31 -0.96 121.20 122.12 3if9 s ILE 312 Ca 0.21 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.06 3if9 s ILE 312 Cb -0.15 -1.14 0.00 0.00 0.01 0.00 0.00 42.46 41.17 3if9 s ILE 312 CO 0.12 -0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.20 3if9 n GLY 313 N 5.07 -0.86 3.78 6.18 0.00 -0.47 -4.40 105.19 114.49 3if9 n GLY 313 Ca -0.06 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.92 4.13 0.08 1.61 0.52 -1.26 -1.13 118.95 120.98 3if9 s ARG 314 Ca 0.00 1.53 -0.32 0.00 -0.52 0.00 0.00 55.73 56.41 3if9 s ARG 314 Cb 0.00 -2.52 -0.12 0.00 0.52 0.00 0.00 34.95 32.83 3if9 s ARG 314 CO 0.00 -0.17 1.79 1.58 0.02 0.00 0.00 175.30 178.52 3if9 n HIS 315 N -0.12 2.47 0.33 -0.53 -0.00 0.13 -4.52 115.22 112.98 3if9 n HIS 315 Ca 0.05 -0.03 0.21 0.00 -0.00 0.00 0.00 57.72 57.96 3if9 n HIS 315 Cb 0.50 -2.68 1.16 0.00 -0.00 0.00 0.00 29.99 28.97 3if9 n HIS 315 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3if9 h PRO 316 N 8.16 0.00 -0.04 1.57 0.13 -1.94 -2.34 132.00 137.53 3if9 h PRO 316 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3if9 h PRO 316 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3if9 h PRO 316 CO 0.93 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.09 3if9 n GLU 317 N -3.24 1.30 -3.15 0.86 -0.58 -1.26 -4.92 120.64 109.66 3if9 n GLU 317 Ca -0.03 -1.50 0.05 0.00 -0.42 0.00 0.00 57.16 55.26 3if9 n GLU 317 Cb 0.08 -1.31 -0.01 0.00 -0.57 0.00 0.00 31.44 29.63 3if9 n GLU 317 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3if9 s ASP 318 N -1.32 -1.08 0.00 1.62 -1.08 -0.88 -5.05 116.67 108.88 3if9 s ASP 318 Ca 0.19 0.53 0.31 0.00 -0.52 0.00 0.00 52.55 53.06 3if9 s ASP 318 Cb 0.14 1.85 1.64 0.00 -1.46 0.00 0.00 42.92 45.08 3if9 s ASP 318 CO 0.20 -0.20 2.09 -1.54 0.52 0.00 0.00 175.17 176.24 3if9 n SER 319 N 5.42 0.24 0.08 -0.34 3.41 -1.26 -2.14 113.62 119.03 3if9 n SER 319 Ca -0.01 -0.83 0.13 0.00 -0.26 0.00 0.00 58.87 57.90 3if9 n SER 319 Cb 0.53 -0.07 0.46 0.00 -0.26 0.00 0.00 64.21 64.87 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 -0.92 0.17 -4.51 4.33 1.74 -1.26 -4.76 116.66 111.45 3if9 n ARG 320 Ca 0.20 0.21 -0.33 0.00 -0.77 0.00 0.00 57.85 57.16 3if9 n ARG 320 Cb 0.19 -1.73 -0.14 0.00 -1.02 0.00 0.00 32.46 29.76 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 -3.11 3.14 0.14 0.55 1.01 -0.91 -0.92 121.20 121.10 3if9 s ILE 321 Ca 0.10 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 60.20 3if9 s ILE 321 Cb 0.13 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 3if9 s ILE 321 CO 0.51 0.50 -0.14 -0.76 0.00 0.00 0.00 174.94 175.05 3if9 s LEU 322 N 0.67 2.45 0.01 2.97 1.02 0.39 0.21 118.68 126.39 3if9 s LEU 322 Ca -0.06 -0.88 0.06 0.00 0.02 0.00 0.00 54.13 53.27 3if9 s LEU 322 Cb -0.15 -0.58 -0.02 0.00 0.02 0.00 0.00 46.19 45.46 3if9 s LEU 322 CO 0.02 -0.16 -0.17 -0.36 0.02 0.00 0.00 176.35 175.70 3if9 s PHE 323 N -2.42 1.51 -0.39 0.29 0.40 -0.28 -0.72 117.98 116.38 3if9 s PHE 323 Ca 0.13 -0.31 0.03 0.00 -0.60 0.00 0.00 56.93 56.18 3if9 s PHE 323 Cb -0.03 -0.95 0.16 0.00 0.51 0.00 0.00 43.02 42.71 3if9 s PHE 323 CO 0.04 0.01 0.32 0.00 0.70 0.00 0.00 175.22 176.29 3if9 s ALA 324 N -0.54 0.70 -0.15 5.36 0.00 0.42 -1.37 121.76 126.18 3if9 s ALA 324 Ca 0.06 -1.87 -0.24 0.00 0.00 0.00 0.00 51.96 49.91 3if9 s ALA 324 Cb -0.07 -1.74 0.06 0.00 0.00 0.00 0.00 23.12 21.37 3if9 s ALA 324 CO 0.00 -2.07 0.60 0.00 0.00 0.00 0.00 175.76 174.30 3if9 s ALA 325 N 0.69 -1.52 0.00 0.00 0.00 -0.13 -4.40 121.76 116.41 3if9 s ALA 325 Ca 0.25 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.66 3if9 s ALA 325 Cb -0.09 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.44 3if9 s ALA 325 CO -0.09 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.77 3if9 n GLY 326 N 2.03 1.38 2.31 0.00 0.00 -1.26 -0.57 105.19 109.08 3if9 n GLY 326 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 3if9 n GLY 326 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3if9 n HIS 327 N -0.24 2.17 0.00 1.61 8.25 -1.24 -2.79 115.22 122.98 3if9 n HIS 327 Ca 0.00 -2.84 0.00 0.00 -0.26 0.00 0.00 57.72 54.62 3if9 n HIS 327 Cb 0.00 -2.25 0.00 0.00 1.12 0.00 0.00 29.99 28.86 3if9 n HIS 327 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3if9 n PHE 328 N 3.04 0.00 0.22 4.41 7.35 -1.16 -2.74 117.46 128.57 3if9 n PHE 328 Ca 0.71 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 57.45 3if9 n PHE 328 Cb 0.32 0.00 0.07 0.00 0.35 0.00 0.00 39.48 40.22 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 -0.17 1.23 -1.41 -4.13 1.74 -1.26 -4.46 116.66 108.21 3if9 n ARG 329 Ca 0.00 -1.39 0.03 0.00 -0.77 0.00 0.00 57.85 55.72 3if9 n ARG 329 Cb 0.00 -1.21 0.02 0.00 -1.02 0.00 0.00 32.46 30.25 3if9 n ARG 329 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3if9 n ASN 330 N 0.50 0.86 0.14 0.55 0.23 -1.11 -4.85 115.26 111.57 3if9 n ASN 330 Ca 0.07 -2.00 0.07 0.00 -0.53 0.00 0.00 54.58 52.19 3if9 n ASN 330 Cb 0.30 -0.27 0.55 0.00 -2.08 0.00 0.00 39.78 38.28 3if9 n ASN 330 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3if9 h GLY 331 N 0.89 0.26 0.72 4.83 0.00 -1.79 -0.42 103.07 107.55 3if9 h GLY 331 Ca -0.22 -0.09 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 3if9 h GLY 331 CO 0.08 0.09 -0.33 -2.22 0.00 0.00 0.00 176.54 174.16 3if9 h ILE 332 N 0.24 1.41 -0.71 2.60 1.08 -1.90 -2.04 117.51 118.19 3if9 h ILE 332 Ca 0.08 -1.70 0.05 0.00 -0.39 0.00 0.00 64.86 62.90 3if9 h ILE 332 Cb 0.01 2.26 -0.05 0.00 -3.07 0.00 0.00 36.82 35.97 3if9 h ILE 332 CO -0.02 0.49 0.42 0.25 -0.69 0.00 0.00 178.15 178.61 3if9 h LEU 333 N -0.10 0.66 -0.56 1.44 5.85 -1.68 -3.15 115.31 117.77 3if9 h LEU 333 Ca -0.02 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3if9 h LEU 333 Cb 0.97 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.88 3if9 h LEU 333 CO 0.07 0.43 -0.17 0.18 -0.34 0.00 0.00 178.44 178.62 3if9 n LEU 334 N -4.72 1.03 0.02 2.25 4.77 -0.20 -4.45 117.00 115.72 3if9 n LEU 334 Ca 0.09 -0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 55.68 3if9 n LEU 334 Cb 0.15 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 3if9 n LEU 334 CO 0.31 0.19 0.87 0.00 -1.33 0.00 0.00 177.39 177.42 3if9 h ALA 335 N 3.84 0.04 -0.53 -1.18 0.00 -1.32 0.28 119.26 120.39 3if9 h ALA 335 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3if9 h ALA 335 Cb 0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3if9 h ALA 335 CO 0.00 -0.45 0.34 -1.35 0.00 0.00 0.00 179.25 177.79 3if9 h PRO 336 N 0.01 0.67 -0.42 0.00 0.11 -1.82 -0.19 132.00 130.35 3if9 h PRO 336 Ca 0.01 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.96 3if9 h PRO 336 Cb 0.03 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 3if9 h PRO 336 CO -0.00 0.44 -0.23 0.00 -0.21 0.00 0.00 178.00 178.00 3if9 h ALA 337 N 1.21 0.81 -0.33 -0.75 0.00 -1.78 -1.03 119.26 117.38 3if9 h ALA 337 Ca 0.20 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3if9 h ALA 337 Cb -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3if9 h ALA 337 CO -0.06 0.65 0.18 1.15 0.00 0.00 0.00 179.25 181.18 3if9 h THR 338 N 0.74 1.13 -0.50 0.00 2.02 -0.19 -0.93 112.91 115.17 3if9 h THR 338 Ca 0.10 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 3if9 h THR 338 Cb 0.77 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 3if9 h THR 338 CO 0.06 0.13 0.22 1.23 0.37 0.00 0.00 175.52 177.53 3if9 h GLY 339 N 0.41 0.79 1.01 2.16 0.00 -0.79 -1.58 103.07 105.07 3if9 h GLY 339 Ca 0.12 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 3if9 h GLY 339 CO -0.02 0.39 0.27 0.00 0.00 0.00 0.00 176.54 177.19 3if9 h ALA 340 N 1.06 0.84 0.35 3.60 0.00 -1.12 -1.34 119.26 122.65 3if9 h ALA 340 Ca 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3if9 h ALA 340 Cb 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3if9 h ALA 340 CO -0.02 0.45 -0.17 1.25 0.00 0.00 0.00 179.25 180.76 3if9 h LEU 341 N 0.91 -0.40 -0.32 0.00 5.85 -0.77 0.10 115.31 120.69 3if9 h LEU 341 Ca 0.22 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.95 3if9 h LEU 341 Cb 0.18 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3if9 h LEU 341 CO -0.02 -0.22 0.06 0.40 -0.34 0.00 0.00 178.44 178.32 3if9 h ILE 342 N -0.55 0.84 -0.32 4.05 1.08 -1.29 -0.55 117.51 120.77 3if9 h ILE 342 Ca -0.05 -0.06 0.06 0.00 -0.39 0.00 0.00 64.86 64.43 3if9 h ILE 342 Cb 0.41 0.66 -0.06 0.00 -3.07 0.00 0.00 36.82 34.76 3if9 h ILE 342 CO 0.08 0.03 -0.06 -1.28 -0.69 0.00 0.00 178.15 176.23 3if9 h SER 343 N 0.17 -0.26 -0.10 1.72 0.87 -1.14 0.09 113.55 114.90 3if9 h SER 343 Ca 0.15 0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.76 3if9 h SER 343 Cb 0.16 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 3if9 h SER 343 CO -0.20 -0.09 -0.04 0.44 -0.53 0.00 0.00 176.83 176.41 3if9 h ASP 344 N 0.02 0.32 -0.25 6.23 3.32 -0.28 -1.04 116.42 124.74 3if9 h ASP 344 Ca 0.16 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3if9 h ASP 344 Cb 0.23 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3if9 h ASP 344 CO -0.32 0.41 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.49 3if9 h LEU 345 N 0.34 0.48 -1.11 1.55 3.38 -0.34 -0.55 115.31 119.05 3if9 h LEU 345 Ca 0.07 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 3if9 h LEU 345 Cb 0.29 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3if9 h LEU 345 CO 0.01 0.73 0.15 0.40 0.09 0.00 0.00 178.44 179.82 3if9 h ILE 346 N 0.22 1.21 -0.08 1.22 2.04 -0.44 -2.30 117.51 119.39 3if9 h ILE 346 Ca 0.06 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.19 3if9 h ILE 346 Cb 0.52 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3if9 h ILE 346 CO 0.02 0.28 0.00 0.23 0.00 0.00 0.00 178.15 178.68 3if9 n MET 347 N -4.30 1.26 -1.84 2.37 2.81 -0.45 -4.92 117.12 112.05 3if9 n MET 347 Ca 0.04 -0.40 -0.21 0.00 -1.81 0.00 0.00 57.70 55.32 3if9 n MET 347 Cb 0.20 -1.25 -0.07 0.00 -0.71 0.00 0.00 33.22 31.39 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 -0.32 -5.63 -4.79 7.83 3.02 -0.86 -5.00 115.26 109.50 3if9 n ASN 348 Ca 0.11 0.36 -0.34 0.00 -0.03 0.00 0.00 54.58 54.68 3if9 n ASN 348 Cb 0.14 -4.89 -0.03 0.00 -0.61 0.00 0.00 39.78 34.39 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 -4.15 3.75 0.27 3.52 1.02 -0.24 -5.01 119.74 118.90 3if9 s LYS 349 Ca 0.00 1.39 -0.29 0.00 0.02 0.00 0.00 55.97 57.08 3if9 s LYS 349 Cb 0.00 -2.08 -0.09 0.00 -0.52 0.00 0.00 37.83 35.13 3if9 s LYS 349 CO 0.00 -0.48 1.16 -1.83 -0.92 0.00 0.00 175.35 173.28 3if9 s GLU 350 N -3.24 4.56 0.26 1.68 4.04 -1.26 -4.61 118.70 120.13 3if9 s GLU 350 Ca 0.68 1.89 0.07 0.00 0.04 0.00 0.00 54.97 57.65 3if9 s GLU 350 Cb -0.17 -3.18 -0.05 0.00 0.02 0.00 0.00 34.13 30.75 3if9 s GLU 350 CO 0.21 0.08 -0.07 0.14 -1.84 0.00 0.00 175.26 173.78 3if9 s VAL 351 N -0.94 1.63 -0.22 1.83 -7.23 -1.26 -5.06 120.40 109.15 3if9 s VAL 351 Ca 0.47 -2.14 -0.36 0.00 -1.81 0.00 0.00 61.98 58.14 3if9 s VAL 351 Cb -0.34 -2.36 -0.13 0.00 0.56 0.00 0.00 36.38 34.12 3if9 s VAL 351 CO 0.42 -0.36 1.91 -3.20 -0.31 0.00 0.00 175.10 173.56 3if9 n ASN 352 N -0.53 2.80 0.13 4.85 4.05 -1.26 -4.88 115.26 120.42 3if9 n ASN 352 Ca -0.06 0.87 -0.01 0.00 0.45 0.00 0.00 54.58 55.83 3if9 n ASN 352 Cb 0.63 -1.27 0.24 0.00 1.23 0.00 0.00 39.78 40.60 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 9.37 0.12 -0.31 1.20 1.08 -1.98 -1.86 115.11 122.73 3if9 h GLN 353 Ca -0.43 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 56.70 3if9 h GLN 353 Cb 1.30 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.71 3if9 h GLN 353 CO 0.97 0.56 0.17 -0.44 -0.95 0.00 0.00 178.83 179.14 3if9 h ASP 354 N 0.10 0.39 -0.07 1.46 3.32 -1.99 0.94 116.42 120.58 3if9 h ASP 354 Ca 0.00 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 3if9 h ASP 354 Cb 0.86 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 3if9 h ASP 354 CO 0.07 0.37 0.00 -0.50 -1.72 0.00 0.00 179.24 177.45 3if9 h TRP 355 N 0.38 0.13 -0.86 4.55 6.55 -1.87 0.11 115.95 124.95 3if9 h TRP 355 Ca 0.11 -0.02 0.19 0.00 0.95 0.00 0.00 58.89 60.11 3if9 h TRP 355 Cb 0.06 -0.03 -0.11 0.00 -0.86 0.00 0.00 29.16 28.22 3if9 h TRP 355 CO -0.03 0.38 0.39 1.25 -1.05 0.00 0.00 178.44 179.38 3if9 h LEU 356 N -0.16 0.38 -0.06 -4.49 5.85 -1.23 -2.24 115.31 113.36 3if9 h LEU 356 Ca 0.02 0.13 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 3if9 h LEU 356 Cb 0.32 0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.45 3if9 h LEU 356 CO 0.00 0.08 -0.49 -0.74 -0.34 0.00 0.00 178.44 176.96 3if9 h HIS 357 N 0.47 0.61 -0.12 1.25 2.76 -0.45 -3.07 115.15 116.60 3if9 h HIS 357 Ca 0.51 -0.29 0.04 0.00 -2.20 0.00 0.00 60.37 58.43 3if9 h HIS 357 Cb 0.87 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.74 3if9 h HIS 357 CO -0.13 1.07 0.10 0.00 -1.30 0.00 0.00 177.93 177.67 3if9 h ALA 358 N 0.41 1.93 -0.11 5.26 0.00 -0.20 -2.82 119.26 123.73 3if9 h ALA 358 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3if9 h ALA 358 Cb 1.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3if9 h ALA 358 CO 0.10 -0.17 0.00 1.19 0.00 0.00 0.00 179.25 180.37 3if9 n PHE 359 N -4.20 0.29 -1.24 0.00 0.99 -0.97 -4.93 117.46 107.41 3if9 n PHE 359 Ca -0.00 -0.81 -0.34 0.00 -0.00 0.00 0.00 57.45 56.30 3if9 n PHE 359 Cb 0.22 -0.16 0.11 0.00 -1.00 0.00 0.00 39.48 38.65 3if9 n PHE 359 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 3if9 s ARG 360 N -2.27 1.85 0.13 -1.08 1.70 -1.07 -0.53 118.95 117.69 3if9 s ARG 360 Ca 0.27 1.73 -0.11 0.00 -0.47 0.00 0.00 55.73 57.15 3if9 s ARG 360 Cb 0.22 -1.80 -0.07 0.00 -0.57 0.00 0.00 34.95 32.73 3if9 s ARG 360 CO 0.05 -2.05 1.44 0.82 -1.08 0.00 0.00 175.30 174.48 3if9 h ILE 361 N -0.68 1.27 -2.57 4.99 5.03 -1.89 -3.39 117.51 120.27 3if9 h ILE 361 Ca -0.47 -1.65 -0.74 0.00 -0.12 0.00 0.00 64.86 61.88 3if9 h ILE 361 Cb 1.29 1.51 -0.20 0.00 -3.03 0.00 0.00 36.82 36.40 3if9 h ILE 361 CO 0.48 0.55 1.00 -0.62 -0.68 0.00 0.00 178.15 178.87 3if9 s ASP 362 N -6.90 7.00 -0.58 1.72 3.68 -1.26 -4.95 116.67 115.37 3if9 s ASP 362 Ca -0.11 -2.87 -0.08 0.00 2.13 0.00 0.00 52.55 51.62 3if9 s ASP 362 Cb 0.11 -2.36 0.15 0.00 -1.45 0.00 0.00 42.92 39.37 3if9 s ASP 362 CO 0.89 -0.73 0.45 -0.13 0.13 0.00 0.00 175.17 175.79 3if9 s ARG 363 N 1.24 2.72 0.00 4.34 0.52 -1.26 -5.19 118.95 121.33 3if9 s ARG 363 Ca 0.37 -2.10 0.17 0.00 -0.52 0.00 0.00 55.73 53.65 3if9 s ARG 363 Cb -0.05 -3.98 1.02 0.00 0.52 0.00 0.00 34.95 32.47 3if9 s ARG 363 CO -0.04 -1.21 1.43 1.63 0.02 0.00 0.00 175.30 177.13