#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iie n ASN -1 N 0.00 0.00 -2.55 -3.46 3.02 -1.26 -3.58 115.26 107.42 3iie n ASN -1 Ca 0.00 -0.04 -0.28 0.00 -0.03 0.00 0.00 54.58 54.23 3iie n ASN -1 Cb 0.00 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 3iie n ASN -1 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iie n ALA 0 N -1.31 5.17 -1.74 5.41 0.00 -1.26 -5.06 120.51 121.73 3iie n ALA 0 Ca 0.13 -4.34 -0.40 0.00 0.00 0.00 0.00 53.44 48.83 3iie n ALA 0 Cb 0.24 -0.69 0.03 0.00 0.00 0.00 0.00 19.45 19.03 3iie n ALA 0 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3iie n MET 1 N -0.47 1.91 -3.73 0.00 2.81 -1.23 -5.00 117.12 111.42 3iie n MET 1 Ca 0.40 0.69 -0.36 0.00 -1.81 0.00 0.00 57.70 56.62 3iie n MET 1 Cb 0.60 -2.54 -0.07 0.00 -0.71 0.00 0.00 33.22 30.50 3iie n MET 1 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3iie s LYS 2 N -2.58 3.99 -0.08 0.03 1.02 0.25 -4.94 119.74 117.43 3iie s LYS 2 Ca 0.66 -0.12 -0.07 0.00 0.02 0.00 0.00 55.97 56.46 3iie s LYS 2 Cb -0.45 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.47 3iie s LYS 2 CO 0.54 0.43 0.18 -0.65 -0.92 0.00 0.00 175.35 174.93 3iie s GLN 3 N -0.05 3.49 -0.01 1.68 -0.21 -1.26 -0.01 119.66 123.28 3iie s GLN 3 Ca 0.12 -0.11 0.05 0.00 0.02 0.00 0.00 55.36 55.43 3iie s GLN 3 Cb -0.12 -3.17 -0.01 0.00 1.00 0.00 0.00 33.01 30.71 3iie s GLN 3 CO 0.01 0.75 -0.16 -0.51 -2.12 0.00 0.00 175.29 173.26 3iie s LEU 4 N -1.23 2.04 -0.16 2.90 1.02 -0.30 -0.95 118.68 122.00 3iie s LEU 4 Ca 0.18 -0.30 -0.02 0.00 0.02 0.00 0.00 54.13 54.01 3iie s LEU 4 Cb -0.13 -0.83 -0.02 0.00 0.02 0.00 0.00 46.19 45.24 3iie s LEU 4 CO 0.08 0.19 -0.08 -0.89 0.02 0.00 0.00 176.35 175.67 3iie s THR 5 N -0.39 3.39 -0.29 5.49 2.01 -0.06 -0.53 115.64 125.25 3iie s THR 5 Ca 0.06 -0.52 -0.07 0.00 0.31 0.00 0.00 61.69 61.46 3iie s THR 5 Cb -0.06 -2.48 0.00 0.00 0.01 0.00 0.00 72.50 69.97 3iie s THR 5 CO -0.01 0.49 0.09 -0.63 -0.69 0.00 0.00 174.62 173.87 3iie s ILE 6 N 0.69 4.09 -0.37 1.82 1.01 -0.26 -0.66 121.20 127.53 3iie s ILE 6 Ca -0.04 -0.60 -0.15 0.00 0.00 0.00 0.00 60.65 59.86 3iie s ILE 6 Cb -0.15 -3.09 -0.00 0.00 0.01 0.00 0.00 42.46 39.23 3iie s ILE 6 CO 0.02 0.10 0.33 -0.76 0.00 0.00 0.00 174.94 174.64 3iie s LEU 7 N 1.53 4.64 0.00 2.97 1.43 0.24 -0.51 118.68 128.98 3iie s LEU 7 Ca 0.03 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 3iie s LEU 7 Cb -0.17 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.79 3iie s LEU 7 CO 0.03 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 176.85 3iie n GLY 8 N 5.06 0.62 0.23 -3.19 0.00 0.30 -1.00 105.19 107.20 3iie n GLY 8 Ca -0.10 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 45.97 3iie n GLY 8 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3iie h SER 9 N 0.00 0.00 -0.31 1.61 4.64 -0.44 -2.95 113.55 116.10 3iie h SER 9 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iie h SER 9 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3iie h SER 9 CO 0.00 0.20 0.00 0.35 -0.87 0.00 0.00 176.83 176.51 3iie n THR 10 N -3.40 0.40 -1.18 2.95 -2.24 -1.26 -3.45 114.28 106.10 3iie n THR 10 Ca -0.00 -0.56 -0.05 0.00 -2.27 0.00 0.00 64.05 61.17 3iie n THR 10 Cb 0.40 0.62 0.04 0.00 -2.10 0.00 0.00 70.33 69.28 3iie n THR 10 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iie n GLY 11 N 1.31 -1.17 0.11 3.38 0.00 -1.11 -4.84 105.19 102.87 3iie n GLY 11 Ca 0.17 -1.68 -0.17 0.00 0.00 0.00 0.00 46.02 44.34 3iie n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3iie h SER 12 N -0.30 0.33 -0.65 1.61 4.64 -1.90 -2.15 113.55 115.13 3iie h SER 12 Ca -0.08 -0.86 0.14 0.00 -0.47 0.00 0.00 61.79 60.52 3iie h SER 12 Cb 0.21 -0.10 -0.10 0.00 -0.31 0.00 0.00 62.40 62.09 3iie h SER 12 CO 0.05 1.16 0.07 0.40 -0.87 0.00 0.00 176.83 177.64 3iie h ILE 13 N -0.45 0.52 -0.28 0.95 5.03 -1.95 -0.33 117.51 121.00 3iie h ILE 13 Ca -0.07 -0.06 0.05 0.00 -0.12 0.00 0.00 64.86 64.66 3iie h ILE 13 Cb 1.27 0.32 -0.04 0.00 -3.03 0.00 0.00 36.82 35.33 3iie h ILE 13 CO 0.09 0.03 -0.00 1.23 -0.68 0.00 0.00 178.15 178.82 3iie h GLY 14 N 0.18 0.27 1.48 5.37 0.00 -1.68 -0.24 103.07 108.45 3iie h GLY 14 Ca 0.35 0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.64 3iie h GLY 14 CO -0.51 -0.06 -0.04 3.43 0.00 0.00 0.00 176.54 179.37 3iie h ASN 15 N 0.08 0.61 0.13 0.19 2.35 -0.67 -1.60 115.58 116.67 3iie h ASN 15 Ca 0.13 -0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 3iie h ASN 15 Cb 0.18 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3iie h ASN 15 CO -0.23 0.71 -0.40 0.28 -1.65 0.00 0.00 177.43 176.14 3iie h SER 16 N 0.60 0.37 -0.68 5.81 0.02 -0.79 -1.63 113.55 117.26 3iie h SER 16 Ca 0.12 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3iie h SER 16 Cb 0.43 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 3iie h SER 16 CO 0.02 0.74 0.38 0.74 -1.14 0.00 0.00 176.83 177.57 3iie h THR 17 N 0.30 1.21 -0.18 -2.27 2.02 -0.57 -2.52 112.91 110.90 3iie h THR 17 Ca 0.03 -0.51 -0.10 0.00 0.77 0.00 0.00 66.41 66.60 3iie h THR 17 Cb 0.84 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3iie h THR 17 CO 0.07 0.23 -0.31 -0.07 0.37 0.00 0.00 175.52 175.81 3iie h LEU 18 N 0.93 0.36 -0.61 2.58 3.38 -0.87 -2.06 115.31 119.03 3iie h LEU 18 Ca 0.24 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3iie h LEU 18 Cb 0.02 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3iie h LEU 18 CO -0.04 0.66 0.37 -1.28 0.09 0.00 0.00 178.44 178.24 3iie h SER 19 N 0.31 0.59 -0.68 -0.43 0.87 -0.95 0.58 113.55 113.84 3iie h SER 19 Ca 0.04 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.53 3iie h SER 19 Cb 0.70 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.52 3iie h SER 19 CO 0.05 0.41 0.11 0.58 -0.53 0.00 0.00 176.83 177.45 3iie h VAL 20 N 0.72 1.27 -0.24 2.23 2.07 -1.15 -0.48 116.25 120.66 3iie h VAL 20 Ca 0.25 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.74 3iie h VAL 20 Cb 0.05 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3iie h VAL 20 CO -0.11 0.40 0.11 0.58 0.02 0.00 0.00 177.57 178.56 3iie h VAL 21 N 1.05 0.98 -0.15 2.57 2.07 -0.74 -2.33 116.25 119.70 3iie h VAL 21 Ca 0.21 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 3iie h VAL 21 Cb 0.45 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3iie h VAL 21 CO 0.01 0.04 -0.01 -0.09 0.02 0.00 0.00 177.57 177.54 3iie h ARG 22 N 0.24 0.22 0.00 1.57 2.43 0.66 -0.44 114.38 119.06 3iie h ARG 22 Ca 0.10 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3iie h ARG 22 Cb 0.04 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3iie h ARG 22 CO -0.08 0.26 -0.03 0.00 -1.51 0.00 0.00 179.97 178.61 3iie h ALA 23 N 1.78 0.99 -1.79 2.80 0.00 -0.82 -3.36 119.26 118.86 3iie h ALA 23 Ca 0.05 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.47 3iie h ALA 23 Cb 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.56 3iie h ALA 23 CO 0.00 0.00 -1.00 0.09 0.00 0.00 0.00 179.25 178.34 3iie n ASN 24 N -2.63 2.35 0.17 0.00 3.02 -0.20 -4.93 115.26 113.04 3iie n ASN 24 Ca 0.05 -3.20 0.13 0.00 -0.03 0.00 0.00 54.58 51.53 3iie n ASN 24 Cb 0.48 -0.56 0.61 0.00 -0.61 0.00 0.00 39.78 39.69 3iie n ASN 24 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3iie h PRO 25 N 2.94 0.00 -0.00 3.52 0.13 -1.64 0.25 132.00 137.19 3iie h PRO 25 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3iie h PRO 25 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3iie h PRO 25 CO 0.62 0.00 -0.23 0.39 -0.23 0.00 0.00 178.00 178.55 3iie n GLU 26 N -2.37 0.09 -0.09 0.86 1.02 -1.26 -4.23 120.64 114.66 3iie n GLU 26 Ca -0.00 -0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 57.01 3iie n GLU 26 Cb 0.13 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.93 3iie n GLU 26 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3iie n LEU 27 N -1.43 0.93 -4.19 -4.62 4.77 0.06 -2.60 117.00 109.92 3iie n LEU 27 Ca 0.07 -0.04 -0.27 0.00 -0.03 0.00 0.00 56.01 55.74 3iie n LEU 27 Cb 0.33 0.05 -0.16 0.00 -2.33 0.00 0.00 43.42 41.31 3iie n LEU 27 CO 0.30 0.55 -0.52 -0.36 -1.33 0.00 0.00 177.39 176.03 3iie s PHE 28 N -2.41 1.90 -0.07 -1.77 0.08 -1.11 -0.58 117.98 114.03 3iie s PHE 28 Ca -0.15 -0.50 0.04 0.00 0.12 0.00 0.00 56.93 56.44 3iie s PHE 28 Cb 0.06 -1.26 0.00 0.00 -0.57 0.00 0.00 43.02 41.25 3iie s PHE 28 CO 0.62 -0.14 -0.18 0.21 -0.10 0.00 0.00 175.22 175.63 3iie s LYS 29 N -0.15 2.16 -0.32 0.44 2.47 0.98 -4.76 119.74 120.57 3iie s LYS 29 Ca -0.01 -0.63 -0.28 0.00 -1.56 0.00 0.00 55.97 53.50 3iie s LYS 29 Cb -0.11 -1.74 0.01 0.00 -1.46 0.00 0.00 37.83 34.53 3iie s LYS 29 CO 0.02 0.15 1.01 0.08 0.16 0.00 0.00 175.35 176.77 3iie s VAL 30 N 0.34 4.58 -0.20 4.02 1.01 -1.26 -1.15 120.40 127.74 3iie s VAL 30 Ca -0.12 1.61 0.05 0.00 0.00 0.00 0.00 61.98 63.52 3iie s VAL 30 Cb -0.15 -4.35 -0.21 0.00 0.00 0.00 0.00 36.38 31.67 3iie s VAL 30 CO 0.05 -0.42 0.02 0.41 0.00 0.00 0.00 175.10 175.16 3iie n THR 31 N 5.78 1.53 -3.80 3.92 -1.04 0.31 -3.93 114.28 117.06 3iie n THR 31 Ca 0.10 -0.67 -0.13 0.00 -2.04 0.00 0.00 64.05 61.31 3iie n THR 31 Cb 0.47 -1.22 -0.13 0.00 -1.82 0.00 0.00 70.33 67.64 3iie n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iie s ALA 32 N -2.53 -0.37 -0.10 2.41 0.00 -1.09 -0.31 121.76 119.78 3iie s ALA 32 Ca -0.24 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.26 3iie s ALA 32 Cb 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 3iie s ALA 32 CO 0.70 -0.10 -0.14 -0.51 0.00 0.00 0.00 175.76 175.71 3iie s LEU 33 N 0.39 2.69 -0.12 0.00 1.43 -0.67 -1.10 118.68 121.31 3iie s LEU 33 Ca -0.03 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 3iie s LEU 33 Cb -0.04 -1.58 -0.00 0.00 0.03 0.00 0.00 46.19 44.60 3iie s LEU 33 CO -0.02 0.23 -0.20 -0.69 0.23 0.00 0.00 176.35 175.90 3iie s VAL 34 N -0.05 2.38 0.00 -1.59 1.01 0.34 -1.14 120.40 121.34 3iie s VAL 34 Ca -0.03 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3iie s VAL 34 Cb -0.14 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.29 3iie s VAL 34 CO 0.04 0.55 0.00 0.00 0.00 0.00 0.00 175.10 175.68 3iie n ALA 35 N 3.62 0.00 -2.00 5.51 0.00 -0.57 0.11 120.51 127.18 3iie n ALA 35 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3iie n ALA 35 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3iie n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iie n GLY 36 N 0.08 0.20 0.01 0.00 0.00 -1.26 -2.98 105.19 101.24 3iie n GLY 36 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3iie n GLY 36 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3iie n ARG 37 N 0.00 0.76 -1.76 1.61 0.63 -1.26 -1.88 116.66 114.76 3iie n ARG 37 Ca 0.00 -0.11 -0.28 0.00 -0.92 0.00 0.00 57.85 56.53 3iie n ARG 37 Cb 0.00 -1.39 -0.08 0.00 0.45 0.00 0.00 32.46 31.44 3iie n ARG 37 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 3iie n ASN 38 N -1.91 2.54 -0.22 6.15 2.85 -1.26 -4.79 115.26 118.63 3iie n ASN 38 Ca -0.01 -2.64 -0.07 0.00 -0.11 0.00 0.00 54.58 51.74 3iie n ASN 38 Cb 0.41 -1.59 0.03 0.00 1.24 0.00 0.00 39.78 39.87 3iie n ASN 38 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 3iie h VAL 39 N 5.98 1.23 0.17 3.44 2.07 -1.92 -1.83 116.25 125.39 3iie h VAL 39 Ca 0.20 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3iie h VAL 39 Cb 0.90 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3iie h VAL 39 CO 1.32 0.28 -0.08 0.03 0.02 0.00 0.00 177.57 179.14 3iie h ARG 40 N 0.85 -0.22 -0.10 1.57 3.08 -1.99 -2.11 114.38 115.45 3iie h ARG 40 Ca 0.20 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 3iie h ARG 40 Cb 0.20 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 3iie h ARG 40 CO -0.02 -0.11 0.04 0.93 -1.07 0.00 0.00 179.97 179.75 3iie h GLU 41 N -0.29 0.15 -0.87 0.04 4.39 -1.96 -2.12 114.58 113.92 3iie h GLU 41 Ca -0.02 -0.03 0.20 0.00 0.34 0.00 0.00 59.36 59.85 3iie h GLU 41 Cb 0.22 -0.03 -0.12 0.00 -0.10 0.00 0.00 28.75 28.73 3iie h GLU 41 CO 0.04 0.25 0.39 1.98 -1.16 0.00 0.00 179.01 180.50 3iie h MET 42 N 0.02 0.43 -0.19 2.33 4.05 -1.32 -2.09 114.93 118.16 3iie h MET 42 Ca 0.03 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.40 3iie h MET 42 Cb 0.15 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 3iie h MET 42 CO -0.00 0.28 0.02 0.00 0.23 0.00 0.00 176.91 177.44 3iie h ALA 43 N 1.67 0.25 -0.72 0.39 0.00 -1.00 0.18 119.26 120.03 3iie h ALA 43 Ca 0.53 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.36 3iie h ALA 43 Cb 0.95 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 3iie h ALA 43 CO -0.49 -0.06 0.35 -0.56 0.00 0.00 0.00 179.25 178.49 3iie h GLN 44 N 0.10 0.56 -0.54 0.00 3.07 -0.86 0.32 115.11 117.76 3iie h GLN 44 Ca 0.06 -0.03 -0.10 0.00 0.09 0.00 0.00 58.65 58.67 3iie h GLN 44 Cb 0.34 -0.13 -0.02 0.00 0.08 0.00 0.00 27.48 27.76 3iie h GLN 44 CO 0.01 0.37 -0.04 1.96 0.09 0.00 0.00 178.83 181.22 3iie h GLN 45 N 0.57 0.97 -0.38 0.06 4.20 -1.07 -1.30 115.11 118.17 3iie h GLN 45 Ca 0.36 -0.33 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3iie h GLN 45 Cb 0.42 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3iie h GLN 45 CO -0.29 1.00 0.07 0.00 -0.67 0.00 0.00 178.83 178.94 3iie h LEU 47 N 0.47 0.00 0.07 0.00 3.38 -0.29 -1.14 115.31 117.80 3iie h LEU 47 Ca 0.12 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.78 3iie h LEU 47 Cb 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3iie h LEU 47 CO 0.01 0.01 -1.65 -0.08 0.09 0.00 0.00 178.44 176.81 3iie h GLU 48 N 0.00 0.16 -0.02 1.13 4.81 -0.75 -3.41 114.58 116.50 3iie h GLU 48 Ca -0.00 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 3iie h GLU 48 Cb 0.39 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3iie h GLU 48 CO 0.00 1.13 -0.19 1.19 -0.73 0.00 0.00 179.01 180.41 3iie n PHE 49 N -3.91 0.00 -3.83 0.92 3.72 -0.19 -5.03 117.46 109.14 3iie n PHE 49 Ca -0.31 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.78 3iie n PHE 49 Cb 0.89 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.43 3iie n PHE 49 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3iie n SER 50 N 0.54 -3.99 -4.77 4.37 7.64 -0.44 -4.64 113.62 112.33 3iie n SER 50 Ca 0.10 -1.01 -0.32 0.00 1.01 0.00 0.00 58.87 58.65 3iie n SER 50 Cb 0.45 -1.41 0.07 0.00 -1.01 0.00 0.00 64.21 62.30 3iie n SER 50 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3iie s PRO 51 N -5.77 2.55 0.23 1.43 0.04 -1.25 -4.90 135.00 127.33 3iie s PRO 51 Ca 0.19 1.24 -0.05 0.00 0.04 0.00 0.00 61.00 62.42 3iie s PRO 51 Cb -0.11 -1.93 0.24 0.00 0.04 0.00 0.00 34.50 32.74 3iie s PRO 51 CO 0.83 -1.43 1.74 -0.09 0.04 0.00 0.00 177.00 178.10 3iie h ARG 52 N -0.59 0.96 -4.53 4.56 2.43 -0.84 -3.38 114.38 112.99 3iie h ARG 52 Ca -0.45 -0.24 -0.26 0.00 -0.81 0.00 0.00 59.98 58.22 3iie h ARG 52 Cb 1.24 -0.12 -0.21 0.00 -0.42 0.00 0.00 29.97 30.46 3iie h ARG 52 CO 0.53 0.90 -0.73 0.71 -1.51 0.00 0.00 179.97 179.87 3iie s TYR 53 N -5.15 0.66 0.01 2.20 2.02 -0.86 -1.49 117.35 114.73 3iie s TYR 53 Ca -0.11 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 56.05 3iie s TYR 53 Cb 0.15 -0.40 -0.01 0.00 -0.40 0.00 0.00 41.96 41.30 3iie s TYR 53 CO 0.83 -0.10 -0.02 0.00 -1.57 0.00 0.00 175.55 174.69 3iie s ALA 54 N -1.59 0.11 0.06 3.71 0.00 -0.65 -1.67 121.76 121.74 3iie s ALA 54 Ca -0.08 -0.34 0.08 0.00 0.00 0.00 0.00 51.96 51.61 3iie s ALA 54 Cb -0.09 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 3iie s ALA 54 CO -0.00 -0.07 -0.21 0.00 0.00 0.00 0.00 175.76 175.47 3iie s ALA 55 N -0.79 1.80 0.56 0.00 0.00 -0.30 -0.73 121.76 122.31 3iie s ALA 55 Ca -0.08 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 50.82 3iie s ALA 55 Cb -0.05 -0.33 0.05 0.00 0.00 0.00 0.00 23.12 22.79 3iie s ALA 55 CO -0.00 0.40 0.47 -1.64 0.00 0.00 0.00 175.76 174.98 3iie s MET 56 N -1.34 2.25 0.10 0.00 -1.94 -0.58 -1.51 119.30 116.28 3iie s MET 56 Ca 0.08 -1.99 0.25 0.00 -1.71 0.00 0.00 55.69 52.31 3iie s MET 56 Cb -0.09 -2.17 0.52 0.00 2.01 0.00 0.00 34.83 35.09 3iie s MET 56 CO 0.02 -0.69 1.45 -1.13 -0.01 0.00 0.00 175.02 174.67 3iie n SER 57 N -1.86 0.62 -3.50 3.03 3.41 -0.79 -2.65 113.62 111.88 3iie n SER 57 Ca 0.01 0.15 -0.14 0.00 -0.26 0.00 0.00 58.87 58.62 3iie n SER 57 Cb 0.64 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.52 3iie n SER 57 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3iie s ASP 58 N -3.93 0.78 0.24 4.04 3.84 -1.26 -3.62 116.67 116.75 3iie s ASP 58 Ca 0.08 -1.43 0.12 0.00 -0.00 0.00 0.00 52.55 51.32 3iie s ASP 58 Cb 0.14 0.60 0.06 0.00 -1.38 0.00 0.00 42.92 42.35 3iie s ASP 58 CO 0.68 -1.18 1.43 -0.33 -0.00 0.00 0.00 175.17 175.78 3iie h GLU 59 N 2.20 0.00 0.34 2.11 4.39 -1.94 -0.53 114.58 121.16 3iie h GLU 59 Ca -0.28 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.40 3iie h GLU 59 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3iie h GLU 59 CO 0.40 0.66 -0.17 1.25 -1.16 0.00 0.00 179.01 180.00 3iie h HIS 60 N 0.00 -0.43 -0.44 4.33 2.76 -1.98 0.19 115.15 119.58 3iie h HIS 60 Ca -0.01 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.22 3iie h HIS 60 Cb 1.44 0.14 -0.09 0.00 1.55 0.00 0.00 27.41 30.45 3iie h HIS 60 CO 0.00 -0.12 -0.45 0.77 -1.30 0.00 0.00 177.93 176.83 3iie h SER 61 N -0.74 -1.51 -0.55 3.26 0.02 -1.92 -1.41 113.55 110.70 3iie h SER 61 Ca -0.05 0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3iie h SER 61 Cb 0.50 0.66 -0.03 0.00 0.14 0.00 0.00 62.40 63.67 3iie h SER 61 CO 0.08 -0.37 0.29 0.00 -1.14 0.00 0.00 176.83 175.69 3iie h ALA 62 N 0.39 0.71 -0.24 3.77 0.00 -1.03 -1.07 119.26 121.80 3iie h ALA 62 Ca 0.14 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3iie h ALA 62 Cb 0.58 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3iie h ALA 62 CO -0.60 0.24 0.15 0.87 0.00 0.00 0.00 179.25 179.91 3iie h LYS 63 N 0.74 0.33 -0.30 0.00 1.57 -0.40 -1.85 116.57 116.67 3iie h LYS 63 Ca 0.19 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 3iie h LYS 63 Cb 0.07 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3iie h LYS 63 CO -0.03 0.26 -0.20 0.66 -0.57 0.00 0.00 179.45 179.58 3iie h SER 64 N 0.30 0.54 -0.28 0.86 4.64 -1.05 -2.15 113.55 116.42 3iie h SER 64 Ca 0.09 -0.17 0.02 0.00 -0.47 0.00 0.00 61.79 61.26 3iie h SER 64 Cb 0.02 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 3iie h SER 64 CO -0.02 0.75 0.14 0.25 -0.87 0.00 0.00 176.83 177.08 3iie h LEU 65 N 0.49 0.21 -1.40 5.97 5.85 -1.07 -2.27 115.31 123.10 3iie h LEU 65 Ca 0.08 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3iie h LEU 65 Cb 0.62 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3iie h LEU 65 CO 0.04 0.16 0.41 -0.09 -0.34 0.00 0.00 178.44 178.63 3iie h ARG 66 N 0.30 0.80 0.20 1.25 2.43 -1.09 0.68 114.38 118.95 3iie h ARG 66 Ca 0.12 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3iie h ARG 66 Cb 0.03 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3iie h ARG 66 CO -0.08 0.53 -0.18 -0.07 -1.51 0.00 0.00 179.97 178.66 3iie h LEU 67 N 0.82 -0.49 -0.47 3.80 -0.00 -0.83 0.12 115.31 118.27 3iie h LEU 67 Ca 0.23 0.04 -0.04 0.00 -0.00 0.00 0.00 57.88 58.11 3iie h LEU 67 Cb -0.06 0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.74 3iie h LEU 67 CO -0.05 -0.28 0.12 -0.07 -0.00 0.00 0.00 178.44 178.16 3iie h LEU 68 N -0.41 0.70 -1.01 1.67 3.38 -0.96 -1.36 115.31 117.32 3iie h LEU 68 Ca -0.00 -0.23 0.12 0.00 0.09 0.00 0.00 57.88 57.86 3iie h LEU 68 Cb 0.38 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 3iie h LEU 68 CO -0.03 0.75 0.64 -0.07 0.09 0.00 0.00 178.44 179.81 3iie h LEU 69 N 0.63 0.94 -0.64 1.67 3.38 -0.81 -1.98 115.31 118.50 3iie h LEU 69 Ca 0.15 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 3iie h LEU 69 Cb 0.31 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3iie h LEU 69 CO 0.00 0.51 0.20 0.00 0.09 0.00 0.00 178.44 179.24 3iie h ALA 70 N 1.53 0.84 0.00 1.53 0.00 -0.26 -1.86 119.26 121.04 3iie h ALA 70 Ca 0.49 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3iie h ALA 70 Cb 0.46 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3iie h ALA 70 CO -0.26 0.52 -0.07 0.93 0.00 0.00 0.00 179.25 180.38 3iie h GLU 71 N 0.93 0.00 -0.30 0.00 4.39 -0.49 -2.66 114.58 116.45 3iie h GLU 71 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 3iie h GLU 71 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3iie h GLU 71 CO -0.01 0.07 0.00 1.04 -1.16 0.00 0.00 179.01 178.95 3iie n GLN 72 N -4.45 2.19 -2.73 2.33 1.13 -1.09 -5.01 117.38 109.74 3iie n GLN 72 Ca -0.03 -2.02 -0.11 0.00 -1.94 0.00 0.00 57.00 52.91 3iie n GLN 72 Cb 0.15 -1.40 0.02 0.00 0.11 0.00 0.00 30.24 29.12 3iie n GLN 72 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3iie n GLY 73 N 1.12 0.14 3.81 1.08 0.00 -1.00 -5.03 105.19 105.31 3iie n GLY 73 Ca 0.15 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 3iie n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iie s SER 74 N -2.94 7.06 0.00 1.61 0.15 -0.73 -4.98 113.70 113.87 3iie s SER 74 Ca 0.18 1.62 0.18 0.00 0.70 0.00 0.00 55.95 58.63 3iie s SER 74 Cb -0.08 -2.50 0.51 0.00 -1.71 0.00 0.00 66.02 62.24 3iie s SER 74 CO 0.23 -0.18 1.41 0.47 1.20 0.00 0.00 173.24 176.37 3iie n ASP 75 N 0.01 2.49 -4.65 5.45 8.00 -1.26 -4.80 116.55 121.78 3iie n ASP 75 Ca 0.03 -1.92 -0.43 0.00 0.71 0.00 0.00 54.79 53.18 3iie n ASP 75 Cb 0.52 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 41.34 3iie n ASP 75 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3iie s THR 76 N -1.49 4.11 0.03 -3.53 2.01 -1.26 -4.92 115.64 110.59 3iie s THR 76 Ca 0.33 1.32 -0.30 0.00 0.31 0.00 0.00 61.69 63.35 3iie s THR 76 Cb 0.18 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 3iie s THR 76 CO 0.25 -0.21 1.04 -1.61 -0.69 0.00 0.00 174.62 173.39 3iie s GLU 77 N 3.81 4.54 -0.09 4.92 2.02 -0.56 -4.88 118.70 128.46 3iie s GLU 77 Ca 0.59 1.52 -0.01 0.00 0.02 0.00 0.00 54.97 57.08 3iie s GLU 77 Cb -0.22 -3.42 -0.03 0.00 0.10 0.00 0.00 34.13 30.55 3iie s GLU 77 CO 0.20 -0.08 -0.04 0.08 0.02 0.00 0.00 175.26 175.44 3iie s VAL 78 N 0.91 3.97 0.39 2.63 1.01 -1.26 -1.63 120.40 126.42 3iie s VAL 78 Ca 0.53 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 62.20 3iie s VAL 78 Cb -0.23 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 3iie s VAL 78 CO 0.29 0.58 0.19 -1.22 0.00 0.00 0.00 175.10 174.94 3iie n TYR 79 N 2.48 -0.16 -3.66 5.22 4.01 0.10 -4.98 117.16 120.17 3iie n TYR 79 Ca -0.18 -2.74 -0.10 0.00 -0.16 0.00 0.00 57.90 54.72 3iie n TYR 79 Cb 0.53 0.09 -0.04 0.00 -0.31 0.00 0.00 39.34 39.61 3iie n TYR 79 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3iie s SER 80 N -3.51 -0.24 0.00 7.72 1.04 -1.26 -1.52 113.70 115.93 3iie s SER 80 Ca 0.27 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.34 3iie s SER 80 Cb 0.01 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.63 3iie s SER 80 CO 0.19 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.13 3iie n GLY 81 N -0.25 1.08 0.07 7.32 0.00 -1.08 -4.36 105.19 107.98 3iie n GLY 81 Ca -0.15 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 3iie n GLY 81 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3iie h GLU 82 N 0.00 0.12 -0.47 1.61 4.81 -1.90 -3.03 114.58 115.72 3iie h GLU 82 Ca 0.00 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.30 3iie h GLU 82 Cb 0.00 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.28 3iie h GLU 82 CO 0.00 0.25 -0.04 1.15 -0.73 0.00 0.00 179.01 179.64 3iie h THR 83 N -0.04 0.60 -0.41 0.32 2.02 -2.00 -1.10 112.91 112.30 3iie h THR 83 Ca 0.03 -0.03 0.08 0.00 0.77 0.00 0.00 66.41 67.26 3iie h THR 83 Cb 0.17 0.52 -0.09 0.00 -1.74 0.00 0.00 68.15 67.01 3iie h THR 83 CO -0.00 0.01 -0.29 0.00 0.37 0.00 0.00 175.52 175.62 3iie h ALA 84 N 1.43 -0.08 -1.01 6.16 0.00 -1.74 -0.97 119.26 123.05 3iie h ALA 84 Ca 0.23 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.34 3iie h ALA 84 Cb 0.35 0.64 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 3iie h ALA 84 CO -0.42 -0.67 0.65 0.00 0.00 0.00 0.00 179.25 178.81 3iie h ALA 85 N 0.90 1.42 -0.43 0.00 0.00 -1.11 0.03 119.26 120.06 3iie h ALA 85 Ca 0.19 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 3iie h ALA 85 Cb 0.51 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3iie h ALA 85 CO -0.53 0.42 -0.30 0.00 0.00 0.00 0.00 179.25 178.83 3iie h GLU 87 N 0.80 0.79 -0.69 0.00 5.08 -0.51 -2.45 114.58 117.59 3iie h GLU 87 Ca 0.08 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3iie h GLU 87 Cb 0.89 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 3iie h GLU 87 CO 0.08 0.82 0.46 -0.07 -1.00 0.00 0.00 179.01 179.30 3iie h LEU 88 N 0.65 0.77 0.00 1.33 3.38 -0.76 -0.29 115.31 120.38 3iie h LEU 88 Ca 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3iie h LEU 88 Cb 0.44 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3iie h LEU 88 CO 0.02 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.09 3iie n ALA 89 N -2.43 1.82 -0.39 1.53 0.00 -0.10 -3.37 120.51 117.57 3iie n ALA 89 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3iie n ALA 89 Cb 0.06 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3iie n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iie n ALA 90 N -1.35 1.60 -1.48 0.00 0.00 -0.18 -4.05 120.51 115.05 3iie n ALA 90 Ca 0.06 -0.78 -0.48 0.00 0.00 0.00 0.00 53.44 52.24 3iie n ALA 90 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 3iie n ALA 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iie n LEU 91 N -0.29 0.03 -0.33 0.00 4.77 -0.82 -4.85 117.00 115.52 3iie n LEU 91 Ca 0.00 1.15 -0.01 0.00 -0.03 0.00 0.00 56.01 57.12 3iie n LEU 91 Cb 0.33 -1.07 0.15 0.00 -2.33 0.00 0.00 43.42 40.51 3iie n LEU 91 CO 0.00 -2.24 1.28 0.44 -1.33 0.00 0.00 177.39 175.54 3iie h ASP 92 N 1.78 1.06 0.08 -1.43 3.32 -1.95 -2.92 116.42 116.37 3iie h ASP 92 Ca -0.35 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3iie h ASP 92 Cb 1.40 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3iie h ASP 92 CO 0.61 0.77 -0.07 -0.90 -1.72 0.00 0.00 179.24 177.92 3iie n ASP 93 N -4.40 1.17 -4.73 6.45 3.85 -1.26 -4.82 116.55 112.83 3iie n ASP 93 Ca 0.11 -1.23 -0.40 0.00 -0.71 0.00 0.00 54.79 52.56 3iie n ASP 93 Cb 0.02 0.03 -0.05 0.00 -1.35 0.00 0.00 41.12 39.77 3iie n ASP 93 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3iie s VAL 94 N -2.17 4.89 -0.08 2.12 1.01 -1.10 -4.62 120.40 120.45 3iie s VAL 94 Ca 0.35 1.62 0.14 0.00 0.00 0.00 0.00 61.98 64.10 3iie s VAL 94 Cb 0.21 -4.12 -0.18 0.00 0.00 0.00 0.00 36.38 32.29 3iie s VAL 94 CO 0.40 0.28 0.78 0.44 0.00 0.00 0.00 175.10 176.99 3iie h ASP 95 N 6.33 0.00 -4.82 3.32 3.32 -1.36 -3.47 116.42 119.73 3iie h ASP 95 Ca -0.42 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.53 3iie h ASP 95 Cb 1.20 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.55 3iie h ASP 95 CO 0.73 0.79 -0.11 0.00 -1.72 0.00 0.00 179.24 178.93 3iie s GLN 96 N -2.77 0.78 -0.11 3.56 -2.07 -0.96 -2.51 119.66 115.58 3iie s GLN 96 Ca -0.03 0.09 0.01 0.00 -1.82 0.00 0.00 55.36 53.60 3iie s GLN 96 Cb 0.08 0.36 0.02 0.00 -1.09 0.00 0.00 33.01 32.38 3iie s GLN 96 CO 0.82 -0.21 -0.12 0.08 -1.32 0.00 0.00 175.29 174.54 3iie s VAL 97 N -1.04 1.26 -0.44 3.63 1.01 -0.39 -0.88 120.40 123.56 3iie s VAL 97 Ca -0.11 -0.47 -0.25 0.00 0.00 0.00 0.00 61.98 61.15 3iie s VAL 97 Cb -0.03 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.17 3iie s VAL 97 CO 0.06 0.40 0.88 -0.32 0.00 0.00 0.00 175.10 176.12 3iie s MET 98 N 1.28 3.57 -0.98 2.72 1.75 0.17 0.08 119.30 127.89 3iie s MET 98 Ca -0.02 0.18 -0.11 0.00 -1.25 0.00 0.00 55.69 54.49 3iie s MET 98 Cb -0.14 -3.90 0.25 0.00 2.84 0.00 0.00 34.83 33.88 3iie s MET 98 CO -0.05 -1.13 0.95 0.00 -0.65 0.00 0.00 175.02 174.14 3iie s ALA 99 N 3.56 4.43 -0.12 4.11 0.00 0.11 -0.59 121.76 133.25 3iie s ALA 99 Ca 0.35 -3.62 0.16 0.00 0.00 0.00 0.00 51.96 48.86 3iie s ALA 99 Cb -0.11 -3.51 0.27 0.00 0.00 0.00 0.00 23.12 19.77 3iie s ALA 99 CO 0.24 -2.23 1.14 0.00 0.00 0.00 0.00 175.76 174.90 3iie n ALA 100 N 3.24 2.37 -2.49 0.00 0.00 -0.17 -0.89 120.51 122.58 3iie n ALA 100 Ca 0.19 -2.50 -0.43 0.00 0.00 0.00 0.00 53.44 50.70 3iie n ALA 100 Cb 0.42 -0.40 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 3iie n ALA 100 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3iie s ILE 101 N -2.54 4.38 0.66 0.00 1.01 -1.04 -4.55 121.20 119.12 3iie s ILE 101 Ca 0.29 1.67 -0.11 0.00 0.00 0.00 0.00 60.65 62.50 3iie s ILE 101 Cb 0.26 -4.08 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 3iie s ILE 101 CO 0.01 -0.13 1.05 0.54 0.00 0.00 0.00 174.94 176.42 3iie s VAL 102 N 3.28 4.24 0.00 2.92 0.11 -1.26 -4.18 120.40 125.50 3iie s VAL 102 Ca 0.52 0.73 0.00 0.00 -2.93 0.00 0.00 61.98 60.30 3iie s VAL 102 Cb -0.20 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.00 3iie s VAL 102 CO 0.13 -0.95 0.00 0.61 -3.33 0.00 0.00 175.10 171.56 3iie n GLY 103 N -2.59 -2.20 0.23 6.54 0.00 -1.26 -3.66 105.19 102.25 3iie n GLY 103 Ca 0.07 -1.49 0.09 0.00 0.00 0.00 0.00 46.02 44.69 3iie n GLY 103 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3iie h ILE 104 N 0.00 0.73 0.00 -0.61 5.03 -1.94 -1.69 117.51 119.02 3iie h ILE 104 Ca 0.00 -0.89 0.00 0.00 -0.12 0.00 0.00 64.86 63.85 3iie h ILE 104 Cb 0.00 1.55 0.00 0.00 -3.03 0.00 0.00 36.82 35.34 3iie h ILE 104 CO 0.00 0.21 0.37 0.00 -0.68 0.00 0.00 178.15 178.04 3iie h ALA 105 N 1.79 1.35 0.00 1.87 0.00 -1.92 -1.13 119.26 121.21 3iie h ALA 105 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iie h ALA 105 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3iie h ALA 105 CO 0.03 -0.35 -0.60 0.41 0.00 0.00 0.00 179.25 178.74 3iie n GLY 106 N -1.25 -1.31 0.21 0.00 0.00 -0.64 -4.31 105.19 97.90 3iie n GLY 106 Ca -0.02 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 3iie n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3iie h LEU 107 N 0.00 0.62 0.43 0.99 4.07 -1.37 -2.57 115.31 117.48 3iie h LEU 107 Ca 0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 3iie h LEU 107 Cb 0.61 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 3iie h LEU 107 CO 0.00 0.57 -0.31 -0.65 -1.08 0.00 0.00 178.44 176.98 3iie h PRO 108 N 0.63 -0.69 -0.78 1.13 0.11 -1.79 0.31 132.00 130.91 3iie h PRO 108 Ca 0.16 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3iie h PRO 108 Cb 0.11 0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.34 3iie h PRO 108 CO -0.02 -0.46 0.49 0.66 -0.21 0.00 0.00 178.00 178.46 3iie h SER 109 N -0.72 0.93 -0.07 -2.05 4.64 -1.85 -0.91 113.55 113.53 3iie h SER 109 Ca -0.04 -0.05 0.02 0.00 -0.47 0.00 0.00 61.79 61.25 3iie h SER 109 Cb 0.61 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 3iie h SER 109 CO 0.02 0.70 -0.05 0.74 -0.87 0.00 0.00 176.83 177.36 3iie h THR 110 N 1.07 0.84 -0.63 2.95 2.02 -1.32 -1.67 112.91 116.17 3iie h THR 110 Ca 0.28 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.48 3iie h THR 110 Cb -0.07 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 3iie h THR 110 CO -0.06 0.00 0.42 0.25 0.37 0.00 0.00 175.52 176.50 3iie h LEU 111 N -0.06 0.71 -0.57 2.58 5.85 -0.56 -2.13 115.31 121.13 3iie h LEU 111 Ca 0.05 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3iie h LEU 111 Cb 0.13 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3iie h LEU 111 CO -0.11 0.51 0.20 0.00 -0.34 0.00 0.00 178.44 178.69 3iie h ALA 112 N 1.61 0.74 0.40 1.25 0.00 -0.69 -0.77 119.26 121.80 3iie h ALA 112 Ca 0.24 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3iie h ALA 112 Cb -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3iie h ALA 112 CO -0.06 0.38 -0.19 0.00 0.00 0.00 0.00 179.25 179.39 3iie h ALA 113 N 1.05 -0.53 -0.89 0.00 0.00 -0.98 -2.43 119.26 115.49 3iie h ALA 113 Ca 0.18 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.10 3iie h ALA 113 Cb 0.25 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 3iie h ALA 113 CO -0.01 -0.79 0.57 0.82 0.00 0.00 0.00 179.25 179.84 3iie h ILE 114 N -0.55 0.86 0.00 0.00 2.04 -1.29 -0.90 117.51 117.68 3iie h ILE 114 Ca -0.05 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 3iie h ILE 114 Cb 0.42 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3iie h ILE 114 CO 0.09 0.13 -0.19 0.03 0.00 0.00 0.00 178.15 178.21 3iie h ARG 115 N 0.73 0.00 -0.16 2.37 3.08 -0.92 -2.26 114.38 117.22 3iie h ARG 115 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.49 3iie h ARG 115 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3iie h ARG 115 CO -0.20 0.19 0.00 0.00 -1.07 0.00 0.00 179.97 178.89 3iie n ALA 116 N -2.16 2.51 -1.34 0.04 0.00 -0.35 -4.89 120.51 114.31 3iie n ALA 116 Ca 0.02 -0.38 -0.11 0.00 0.00 0.00 0.00 53.44 52.97 3iie n ALA 116 Cb 0.53 -1.08 -0.05 0.00 0.00 0.00 0.00 19.45 18.85 3iie n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iie n GLY 117 N 0.93 1.18 3.72 0.00 0.00 -0.85 -4.99 105.19 105.18 3iie n GLY 117 Ca 0.12 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 3iie n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iie s LYS 118 N -2.98 0.71 -0.37 1.61 -0.14 -1.15 -4.50 119.74 112.93 3iie s LYS 118 Ca 0.00 0.44 -0.29 0.00 -1.36 0.00 0.00 55.97 54.76 3iie s LYS 118 Cb 0.00 -1.78 0.02 0.00 -1.68 0.00 0.00 37.83 34.39 3iie s LYS 118 CO 0.00 -2.52 1.19 -1.14 -0.76 0.00 0.00 175.35 172.12 3iie s GLN 119 N -5.08 3.87 -0.28 1.68 0.74 -1.05 -1.93 119.66 117.61 3iie s GLN 119 Ca 0.65 0.96 -0.05 0.00 0.05 0.00 0.00 55.36 56.96 3iie s GLN 119 Cb -0.17 -3.86 0.01 0.00 1.10 0.00 0.00 33.01 30.09 3iie s GLN 119 CO 0.56 -1.18 0.04 0.08 -0.55 0.00 0.00 175.29 174.24 3iie s VAL 120 N 4.29 3.62 -0.55 1.34 1.01 0.13 -1.26 120.40 128.98 3iie s VAL 120 Ca 0.51 -0.79 -0.23 0.00 0.00 0.00 0.00 61.98 61.46 3iie s VAL 120 Cb -0.12 -2.86 0.04 0.00 0.00 0.00 0.00 36.38 33.44 3iie s VAL 120 CO 0.24 0.12 0.89 -0.76 0.00 0.00 0.00 175.10 175.59 3iie s LEU 121 N 1.44 4.24 -0.40 3.92 1.02 0.11 -0.57 118.68 128.45 3iie s LEU 121 Ca 0.02 -0.45 -0.24 0.00 0.02 0.00 0.00 54.13 53.47 3iie s LEU 121 Cb -0.17 -2.76 0.02 0.00 0.02 0.00 0.00 46.19 43.30 3iie s LEU 121 CO 0.00 -1.18 0.84 -0.22 0.02 0.00 0.00 176.35 175.81 3iie s LEU 122 N 3.75 4.10 -0.29 1.79 2.96 -0.48 0.07 118.68 130.58 3iie s LEU 122 Ca 0.28 0.26 0.18 0.00 -0.22 0.00 0.00 54.13 54.63 3iie s LEU 122 Cb -0.14 -3.09 0.49 0.00 0.50 0.00 0.00 46.19 43.95 3iie s LEU 122 CO 0.18 -0.86 1.09 0.00 -1.32 0.00 0.00 176.35 175.45 3iie n ALA 123 N 6.70 3.33 -3.51 5.97 0.00 -0.07 -2.12 120.51 130.80 3iie n ALA 123 Ca 0.04 -3.10 -0.22 0.00 0.00 0.00 0.00 53.44 50.16 3iie n ALA 123 Cb 0.48 -0.77 -0.14 0.00 0.00 0.00 0.00 19.45 19.03 3iie n ALA 123 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3iie s ASN 124 N -3.63 2.10 0.17 0.00 3.84 -1.17 -4.24 114.94 112.01 3iie s ASN 124 Ca 0.33 -0.63 -0.14 0.00 0.21 0.00 0.00 52.86 52.63 3iie s ASN 124 Cb 0.37 0.10 0.05 0.00 -0.55 0.00 0.00 41.25 41.22 3iie s ASN 124 CO -0.02 -0.37 1.82 0.11 -2.79 0.00 0.00 177.10 175.85 3iie h LYS 125 N 8.35 0.68 -0.02 0.43 1.57 -1.93 -3.28 116.57 122.37 3iie h LYS 125 Ca -0.17 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3iie h LYS 125 Cb 1.11 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.27 3iie h LYS 125 CO 0.33 0.47 0.02 0.93 -0.57 0.00 0.00 179.45 180.63 3iie h GLU 126 N 0.68 0.00 -0.52 3.15 3.07 -1.96 -1.74 114.58 117.26 3iie h GLU 126 Ca 0.18 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.05 3iie h GLU 126 Cb -0.04 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.84 3iie h GLU 126 CO -0.04 0.00 0.34 0.77 -1.40 0.00 0.00 179.01 178.68 3iie h SER 127 N 0.00 0.58 0.27 1.42 0.02 -1.88 -0.83 113.55 113.12 3iie h SER 127 Ca 0.01 -0.01 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 3iie h SER 127 Cb 0.06 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.40 3iie h SER 127 CO -0.00 0.41 -2.01 0.18 -1.14 0.00 0.00 176.83 174.27 3iie n LEU 128 N -4.74 0.73 -0.20 5.07 4.77 -0.71 -3.12 117.00 118.80 3iie n LEU 128 Ca 0.03 0.23 -0.03 0.00 -0.03 0.00 0.00 56.01 56.20 3iie n LEU 128 Cb 0.03 0.18 0.16 0.00 -2.33 0.00 0.00 43.42 41.46 3iie n LEU 128 CO 0.34 0.48 1.04 0.40 -1.33 0.00 0.00 177.39 178.32 3iie h ILE 129 N 0.00 1.23 0.00 -0.08 2.04 -1.41 -3.03 117.51 116.26 3iie h ILE 129 Ca -0.40 -0.75 -0.35 0.00 1.00 0.00 0.00 64.86 64.36 3iie h ILE 129 Cb 2.10 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 38.59 3iie h ILE 129 CO 0.05 0.30 -1.91 0.35 0.00 0.00 0.00 178.15 176.94 3iie n THR 130 N -4.30 1.54 -3.20 -0.27 -2.24 -0.32 -4.01 114.28 101.48 3iie n THR 130 Ca 0.06 -0.22 -0.24 0.00 -2.27 0.00 0.00 64.05 61.38 3iie n THR 130 Cb 0.18 -1.95 -0.06 0.00 -2.10 0.00 0.00 70.33 66.41 3iie n THR 130 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iie h GLY 132 N 3.63 -0.07 0.95 0.00 0.00 -1.61 -1.15 103.07 104.82 3iie h GLY 132 Ca 0.12 0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.76 3iie h GLY 132 CO 0.63 -0.20 0.53 1.70 0.00 0.00 0.00 176.54 179.20 3iie h LYS 133 N -0.20 1.03 0.17 4.80 3.64 -1.91 0.13 116.57 124.23 3iie h LYS 133 Ca 0.16 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3iie h LYS 133 Cb 0.45 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3iie h LYS 133 CO -0.44 0.68 -0.08 1.25 -2.27 0.00 0.00 179.45 178.60 3iie h LEU 134 N 1.07 -0.19 -0.64 5.20 5.85 -1.83 -0.83 115.31 123.93 3iie h LEU 134 Ca 0.31 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.81 3iie h LEU 134 Cb -0.07 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 3iie h LEU 134 CO -0.09 0.20 0.35 -0.26 -0.34 0.00 0.00 178.44 178.30 3iie h PHE 135 N -0.61 0.65 -0.39 1.25 -1.00 -0.96 -1.39 116.94 114.49 3iie h PHE 135 Ca -0.02 0.02 -0.14 0.00 2.81 0.00 0.00 57.97 60.64 3iie h PHE 135 Cb 0.45 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 3iie h PHE 135 CO 0.04 0.31 -0.30 0.52 -1.61 0.00 0.00 178.31 177.27 3iie h MET 136 N 0.65 0.88 -0.77 1.51 2.86 -0.76 -0.82 114.93 118.48 3iie h MET 136 Ca 0.29 -0.43 0.05 0.00 -2.06 0.00 0.00 59.70 57.54 3iie h MET 136 Cb 0.18 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.80 3iie h MET 136 CO -0.18 1.08 0.51 -0.44 1.06 0.00 0.00 176.91 178.94 3iie h ASP 137 N 0.70 0.78 0.41 1.22 3.32 -0.93 -1.48 116.42 120.44 3iie h ASP 137 Ca 0.07 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.97 3iie h ASP 137 Cb 0.88 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3iie h ASP 137 CO 0.08 0.52 -0.62 -0.33 -1.72 0.00 0.00 179.24 177.17 3iie h GLU 138 N 0.90 0.20 0.10 3.56 4.39 -0.83 -1.42 114.58 121.47 3iie h GLU 138 Ca 0.32 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 3iie h GLU 138 Cb 0.12 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3iie h GLU 138 CO -0.10 0.75 -0.05 0.28 -1.16 0.00 0.00 179.01 178.74 3iie h VAL 139 N 0.15 1.05 -0.79 3.13 2.07 -0.67 -1.27 116.25 119.92 3iie h VAL 139 Ca -0.01 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 66.99 3iie h VAL 139 Cb 1.12 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 32.26 3iie h VAL 139 CO 0.09 0.14 0.47 0.50 0.02 0.00 0.00 177.57 178.79 3iie h LYS 140 N -0.41 0.81 -0.15 1.57 1.63 -1.29 0.28 116.57 119.01 3iie h LYS 140 Ca -0.01 -0.05 -0.15 0.00 -0.85 0.00 0.00 60.65 59.59 3iie h LYS 140 Cb 0.34 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 3iie h LYS 140 CO 0.02 0.54 -0.53 -0.09 -3.45 0.00 0.00 179.45 175.94 3iie h ARG 141 N 0.84 0.42 -0.02 1.90 2.43 -0.95 -2.81 114.38 116.18 3iie h ARG 141 Ca 0.35 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3iie h ARG 141 Cb 0.22 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3iie h ARG 141 CO -0.19 0.84 -0.12 -1.13 -1.51 0.00 0.00 179.97 177.87 3iie n SER 142 N -3.95 2.53 -2.62 -3.80 3.41 -0.51 -4.97 113.62 103.71 3iie n SER 142 Ca -0.02 -1.77 -0.22 0.00 -0.26 0.00 0.00 58.87 56.60 3iie n SER 142 Cb 0.58 0.13 0.01 0.00 -0.26 0.00 0.00 64.21 64.67 3iie n SER 142 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3iie n ARG 143 N 0.86 -2.89 -1.53 4.33 5.12 0.92 -4.58 116.66 118.90 3iie n ARG 143 Ca 0.11 0.98 -0.33 0.00 -1.93 0.00 0.00 57.85 56.68 3iie n ARG 143 Cb 0.50 -5.72 0.08 0.00 -1.16 0.00 0.00 32.46 26.16 3iie n ARG 143 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3iie s ALA 144 N -3.10 2.24 -0.26 7.54 0.00 -0.78 -4.92 121.76 122.48 3iie s ALA 144 Ca 0.11 0.70 -0.09 0.00 0.00 0.00 0.00 51.96 52.68 3iie s ALA 144 Cb -0.05 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 3iie s ALA 144 CO 0.14 -1.66 0.12 -1.14 0.00 0.00 0.00 175.76 173.22 3iie s GLN 145 N -4.07 3.78 -0.00 0.00 2.00 -0.81 -4.85 119.66 115.70 3iie s GLN 145 Ca 0.70 -0.41 -0.12 0.00 -2.00 0.00 0.00 55.36 53.53 3iie s GLN 145 Cb -0.25 -3.47 -0.05 0.00 0.80 0.00 0.00 33.01 30.04 3iie s GLN 145 CO 0.45 -0.19 0.36 -0.51 -0.50 0.00 0.00 175.29 174.89 3iie s LEU 146 N 1.68 4.43 -0.32 3.68 1.43 -1.26 0.17 118.68 128.49 3iie s LEU 146 Ca 0.07 0.83 -0.02 0.00 -1.03 0.00 0.00 54.13 53.98 3iie s LEU 146 Cb -0.16 -2.58 0.11 0.00 0.03 0.00 0.00 46.19 43.60 3iie s LEU 146 CO 0.07 0.31 0.14 -0.76 0.23 0.00 0.00 176.35 176.33 3iie s LEU 147 N -1.25 1.50 0.19 1.79 1.43 0.27 -4.92 118.68 117.68 3iie s LEU 147 Ca 0.24 -1.68 -0.33 0.00 -1.03 0.00 0.00 54.13 51.34 3iie s LEU 147 Cb -0.15 -0.63 -0.14 0.00 0.03 0.00 0.00 46.19 45.30 3iie s LEU 147 CO 0.13 -0.40 1.52 -2.65 0.23 0.00 0.00 176.35 175.18 3iie n PRO 148 N 4.77 2.11 -0.08 1.29 -0.02 -1.26 -1.39 135.00 140.42 3iie n PRO 148 Ca -0.01 0.76 -0.15 0.00 -2.02 0.00 0.00 63.50 62.08 3iie n PRO 148 Cb 0.41 -2.49 -0.14 0.00 -0.02 0.00 0.00 33.50 31.26 3iie n PRO 148 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3iie n ILE 149 N 2.88 1.54 -1.71 4.25 2.08 -0.90 -4.26 119.36 123.24 3iie n ILE 149 Ca 0.15 -0.70 -0.41 0.00 0.56 0.00 0.00 62.75 62.35 3iie n ILE 149 Cb 0.30 -1.16 0.01 0.00 -0.75 0.00 0.00 39.64 38.03 3iie n ILE 149 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 3iie n ASP 150 N -3.13 2.78 -0.29 4.38 2.03 -1.26 -4.62 116.55 116.45 3iie n ASP 150 Ca -0.35 1.14 -0.07 0.00 0.52 0.00 0.00 54.79 56.03 3iie n ASP 150 Cb 1.06 -1.52 -0.07 0.00 -0.72 0.00 0.00 41.12 39.87 3iie n ASP 150 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 3iie n SER 151 N 0.33 -0.72 -0.06 1.67 2.88 -1.26 -0.05 113.62 116.42 3iie n SER 151 Ca 0.05 1.44 -0.14 0.00 -1.33 0.00 0.00 58.87 58.90 3iie n SER 151 Cb 0.39 -0.27 -0.07 0.00 -0.75 0.00 0.00 64.21 63.51 3iie n SER 151 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3iie h GLU 152 N 0.00 0.42 -0.32 -1.46 3.07 -1.91 -1.11 114.58 113.28 3iie h GLU 152 Ca 0.11 -0.24 -0.07 0.00 -0.50 0.00 0.00 59.36 58.66 3iie h GLU 152 Cb 0.28 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 3iie h GLU 152 CO -0.64 0.83 -0.10 0.45 -1.40 0.00 0.00 179.01 178.15 3iie h HIS 153 N 0.05 0.56 -0.04 4.33 3.86 -1.66 -1.18 115.15 121.07 3iie h HIS 153 Ca 0.02 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.15 3iie h HIS 153 Cb 0.78 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 29.09 3iie h HIS 153 CO 0.09 0.61 0.02 -0.97 0.86 0.00 0.00 177.93 178.54 3iie h ASN 154 N 0.49 0.05 -0.66 2.45 -0.73 -0.40 -1.38 115.58 115.40 3iie h ASN 154 Ca 0.09 -0.12 0.11 0.00 1.87 0.00 0.00 56.30 58.26 3iie h ASN 154 Cb 0.47 -0.01 -0.08 0.00 0.27 0.00 0.00 38.32 38.96 3iie h ASN 154 CO 0.03 0.15 0.24 0.00 -0.37 0.00 0.00 177.43 177.48 3iie h ALA 155 N 0.90 0.86 -0.22 1.57 0.00 -0.85 -0.41 119.26 121.11 3iie h ALA 155 Ca 0.01 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3iie h ALA 155 Cb 0.11 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3iie h ALA 155 CO -0.00 -0.20 0.02 0.82 0.00 0.00 0.00 179.25 179.89 3iie h ILE 156 N 0.41 1.24 -0.42 0.00 2.04 -1.06 -2.41 117.51 117.30 3iie h ILE 156 Ca 0.34 -0.80 0.09 0.00 1.00 0.00 0.00 64.86 65.48 3iie h ILE 156 Cb 0.46 1.33 -0.09 0.00 -0.74 0.00 0.00 36.82 37.78 3iie h ILE 156 CO -0.34 0.25 -0.21 0.15 0.00 0.00 0.00 178.15 177.99 3iie h PHE 157 N 0.17 -0.54 0.00 1.37 3.57 -1.01 -2.06 116.94 118.43 3iie h PHE 157 Ca 0.07 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 3iie h PHE 157 Cb 0.35 0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.39 3iie h PHE 157 CO 0.03 -0.29 -0.11 1.96 -2.23 0.00 0.00 178.31 177.66 3iie h GLN 158 N -0.13 0.00 -0.56 1.11 4.20 -0.88 -2.35 115.11 116.50 3iie h GLN 158 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3iie h GLN 158 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3iie h GLN 158 CO -0.50 0.11 0.00 0.43 -0.67 0.00 0.00 178.83 178.19 3iie n SER 159 N -3.68 3.06 -4.78 1.46 7.64 -0.81 -4.93 113.62 111.58 3iie n SER 159 Ca -0.02 -2.07 -0.25 0.00 1.01 0.00 0.00 58.87 57.54 3iie n SER 159 Cb 0.22 -0.39 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 3iie n SER 159 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3iie s LEU 160 N -1.10 3.71 0.59 -3.43 1.43 -0.89 -4.69 118.68 114.30 3iie s LEU 160 Ca 0.37 -0.22 -0.19 0.00 -1.03 0.00 0.00 54.13 53.06 3iie s LEU 160 Cb 0.20 -2.30 -0.06 0.00 0.03 0.00 0.00 46.19 44.06 3iie s LEU 160 CO 0.23 0.04 0.87 -2.65 0.23 0.00 0.00 176.35 175.08 3iie n PRO 161 N -0.55 0.83 0.23 1.29 -0.02 -1.26 -4.76 135.00 130.77 3iie n PRO 161 Ca -0.08 0.32 0.09 0.00 -2.02 0.00 0.00 63.50 61.81 3iie n PRO 161 Cb 0.56 -2.06 0.54 0.00 -0.02 0.00 0.00 33.50 32.51 3iie n PRO 161 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3iie h GLU 162 N 0.48 0.00 -0.64 -0.52 5.08 -1.97 -1.89 114.58 115.11 3iie h GLU 162 Ca -0.48 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.80 3iie h GLU 162 Cb 1.37 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 3iie h GLU 162 CO 0.50 0.23 0.06 0.00 -1.00 0.00 0.00 179.01 178.80 3iie h ARG 163 N 0.00 1.09 0.26 2.33 3.08 -1.99 -1.33 114.38 117.82 3iie h ARG 163 Ca -0.00 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.72 3iie h ARG 163 Cb 0.58 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3iie h ARG 163 CO 0.03 1.03 -0.13 0.82 -1.07 0.00 0.00 179.97 180.65 3iie h ILE 164 N 1.01 0.75 -0.95 2.04 1.08 -1.82 -3.09 117.51 116.53 3iie h ILE 164 Ca 0.19 -0.03 0.23 0.00 -0.39 0.00 0.00 64.86 64.85 3iie h ILE 164 Cb 0.50 0.77 -0.12 0.00 -3.07 0.00 0.00 36.82 34.90 3iie h ILE 164 CO 0.02 0.01 0.50 1.56 -0.69 0.00 0.00 178.15 179.55 3iie h GLN 165 N -0.37 0.49 -0.01 2.37 4.20 -1.02 -1.65 115.11 119.13 3iie h GLN 165 Ca -0.04 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3iie h GLN 165 Cb 0.28 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3iie h GLN 165 CO 0.06 0.33 -0.15 0.54 -0.67 0.00 0.00 178.83 178.93 3iie n ARG 166 N -4.95 0.76 -2.57 1.46 1.74 -0.53 -3.34 116.66 109.23 3iie n ARG 166 Ca 0.24 -0.33 -0.17 0.00 -0.77 0.00 0.00 57.85 56.83 3iie n ARG 166 Cb 0.69 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 30.66 3iie n ARG 166 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3iie n GLN 167 N -0.84 2.23 -1.86 5.56 6.02 -0.68 -5.01 117.38 122.79 3iie n GLN 167 Ca 0.14 -3.83 -0.42 0.00 -0.01 0.00 0.00 57.00 52.88 3iie n GLN 167 Cb 0.30 -1.72 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 3iie n GLN 167 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3iie s LEU 168 N -3.35 4.20 0.00 1.08 2.96 -0.83 -2.06 118.68 120.68 3iie s LEU 168 Ca 0.37 2.25 0.00 0.00 -0.22 0.00 0.00 54.13 56.53 3iie s LEU 168 Cb 0.43 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.59 3iie s LEU 168 CO -0.06 -1.14 0.00 0.61 -1.32 0.00 0.00 176.35 174.44 3iie n GLY 169 N 4.54 2.09 1.31 7.98 0.00 -0.84 -4.78 105.19 115.49 3iie n GLY 169 Ca 0.20 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 3iie n GLY 169 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3iie n TYR 170 N -1.83 0.00 -4.43 1.61 4.11 -0.87 -4.54 117.16 111.21 3iie n TYR 170 Ca 0.00 -0.42 -0.24 0.00 -0.00 0.00 0.00 57.90 57.25 3iie n TYR 170 Cb 0.00 -0.09 -0.10 0.00 -0.00 0.00 0.00 39.34 39.14 3iie n TYR 170 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 3iie s SER 171 N -1.77 3.32 -0.39 9.48 1.04 -1.01 -5.05 113.70 119.32 3iie s SER 171 Ca 0.27 -0.98 -0.25 0.00 0.48 0.00 0.00 55.95 55.47 3iie s SER 171 Cb 0.30 -0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.19 3iie s SER 171 CO -0.13 0.02 0.88 -0.55 0.98 0.00 0.00 173.24 174.43 3iie s SER 172 N -3.23 6.58 0.15 7.02 0.15 -1.26 -4.83 113.70 118.28 3iie s SER 172 Ca 0.26 0.36 -0.19 0.00 0.70 0.00 0.00 55.95 57.08 3iie s SER 172 Cb -0.05 -2.44 0.04 0.00 -1.71 0.00 0.00 66.02 61.87 3iie s SER 172 CO 0.12 -0.87 1.68 -0.07 1.20 0.00 0.00 173.24 175.29 3iie h LEU 173 N 10.10 -0.36 -0.45 3.45 4.07 -1.86 -2.86 115.31 127.40 3iie h LEU 173 Ca -0.24 0.10 0.03 0.00 0.08 0.00 0.00 57.88 57.85 3iie h LEU 173 Cb 1.08 0.22 -0.04 0.00 1.08 0.00 0.00 40.66 43.00 3iie h LEU 173 CO 0.97 -0.13 0.25 -1.13 -1.08 0.00 0.00 178.44 177.32 3iie h ASN 174 N -0.04 0.37 0.68 -0.43 -1.24 -1.93 -1.60 115.58 111.40 3iie h ASN 174 Ca 0.15 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.17 3iie h ASN 174 Cb 0.27 -0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.26 3iie h ASN 174 CO -0.33 0.27 -0.01 -0.33 -1.29 0.00 0.00 177.43 175.73 3iie h GLU 175 N 0.49 0.00 -0.54 6.67 5.08 -1.85 -2.45 114.58 121.98 3iie h GLU 175 Ca 0.19 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 3iie h GLU 175 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3iie h GLU 175 CO -0.12 0.01 0.02 0.09 -1.00 0.00 0.00 179.01 178.02 3iie n ASN 176 N -3.13 5.38 0.00 1.42 3.02 -0.89 -4.92 115.26 116.14 3iie n ASN 176 Ca -0.01 -2.98 0.00 0.00 -0.03 0.00 0.00 54.58 51.56 3iie n ASN 176 Cb 0.24 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 3iie n ASN 176 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iie n GLY 177 N 0.37 0.81 3.72 7.41 0.00 -0.92 -4.87 105.19 111.70 3iie n GLY 177 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 3iie n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iie s VAL 178 N -3.09 4.73 -0.17 1.61 1.01 -0.65 -0.48 120.40 123.36 3iie s VAL 178 Ca 0.00 1.97 -0.04 0.00 0.00 0.00 0.00 61.98 63.91 3iie s VAL 178 Cb 0.00 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 3iie s VAL 178 CO 0.00 0.25 -0.19 -0.24 0.00 0.00 0.00 175.10 174.93 3iie n SER 179 N 3.34 1.95 -3.66 3.32 2.88 -0.09 -3.81 113.62 117.54 3iie n SER 179 Ca 0.03 0.07 -0.12 0.00 -1.33 0.00 0.00 58.87 57.52 3iie n SER 179 Cb 0.50 -0.39 -0.08 0.00 -0.75 0.00 0.00 64.21 63.49 3iie n SER 179 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3iie s ARG 180 N -2.32 0.67 -0.08 -1.46 3.52 -0.66 -4.72 118.95 113.90 3iie s ARG 180 Ca -0.23 0.92 -0.18 0.00 -0.13 0.00 0.00 55.73 56.10 3iie s ARG 180 Cb 0.08 0.26 -0.05 0.00 -1.56 0.00 0.00 34.95 33.68 3iie s ARG 180 CO 0.34 -0.11 0.50 0.42 -0.81 0.00 0.00 175.30 175.64 3iie s ILE 181 N 0.74 5.11 -0.36 4.11 1.09 -0.39 0.26 121.20 131.76 3iie s ILE 181 Ca -0.03 1.02 -0.04 0.00 -1.10 0.00 0.00 60.65 60.50 3iie s ILE 181 Cb -0.05 -3.84 0.07 0.00 -1.06 0.00 0.00 42.46 37.58 3iie s ILE 181 CO -0.05 0.37 0.12 -0.63 -0.10 0.00 0.00 174.94 174.64 3iie s ILE 182 N 0.30 3.38 -0.35 2.92 1.01 0.21 -1.27 121.20 127.39 3iie s ILE 182 Ca 0.27 -1.56 -0.22 0.00 0.00 0.00 0.00 60.65 59.14 3iie s ILE 182 Cb -0.16 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.24 3iie s ILE 182 CO 0.12 -0.36 0.75 -0.22 0.00 0.00 0.00 174.94 175.23 3iie s LEU 183 N 1.26 4.15 0.21 2.97 2.96 -0.19 -1.25 118.68 128.79 3iie s LEU 183 Ca 0.01 0.37 0.06 0.00 -0.22 0.00 0.00 54.13 54.35 3iie s LEU 183 Cb -0.21 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.47 3iie s LEU 183 CO -0.01 -0.67 0.21 0.42 -1.32 0.00 0.00 176.35 174.98 3iie s THR 184 N 2.97 4.67 0.20 3.68 -4.23 -1.26 -1.11 115.64 120.56 3iie s THR 184 Ca 0.30 -1.17 -0.23 0.00 -1.18 0.00 0.00 61.69 59.41 3iie s THR 184 Cb -0.14 -3.47 0.05 0.00 1.34 0.00 0.00 72.50 70.28 3iie s THR 184 CO 0.15 -0.24 0.81 -0.83 -0.54 0.00 0.00 174.62 173.97 3iie s GLY 185 N -3.57 -0.22 0.25 3.99 0.00 -0.94 -4.91 107.32 101.93 3iie s GLY 185 Ca 0.33 0.03 0.14 0.00 0.00 0.00 0.00 44.72 45.21 3iie s GLY 185 CO 0.25 -0.00 1.41 1.48 0.00 0.00 0.00 173.10 176.24 3iie h SER 186 N 2.00 0.00 0.00 1.64 4.64 -1.88 0.58 113.55 120.53 3iie h SER 186 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3iie h SER 186 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3iie h SER 186 CO 0.26 0.59 0.00 0.61 -0.87 0.00 0.00 176.83 177.41 3iie n GLY 187 N 1.25 2.38 3.02 -0.77 0.00 -1.26 -4.17 105.19 105.63 3iie n GLY 187 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 3iie n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iie n GLY 188 N -2.00 -1.93 0.19 -0.02 0.00 -1.26 -4.04 105.19 96.13 3iie n GLY 188 Ca 0.00 -1.33 0.14 0.00 0.00 0.00 0.00 46.02 44.83 3iie n GLY 188 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iie h PRO 189 N 0.00 0.00 -0.31 1.61 0.13 -1.89 -2.46 132.00 129.08 3iie h PRO 189 Ca 0.01 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.07 3iie h PRO 189 Cb 0.34 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.43 3iie h PRO 189 CO 0.00 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 178.96 3iie n PHE 190 N -2.49 1.05 0.02 1.56 3.72 -1.26 -4.61 117.46 115.45 3iie n PHE 190 Ca 0.00 -1.12 0.15 0.00 -0.05 0.00 0.00 57.45 56.43 3iie n PHE 190 Cb 0.17 -0.39 0.62 0.00 -0.94 0.00 0.00 39.48 38.94 3iie n PHE 190 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3iie h ARG 191 N 1.53 0.13 0.00 -1.08 2.43 -1.58 -3.05 114.38 112.77 3iie h ARG 191 Ca 0.09 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3iie h ARG 191 Cb 1.55 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.07 3iie h ARG 191 CO 0.30 0.09 0.00 0.39 -1.51 0.00 0.00 179.97 179.24 3iie n GLU 192 N -4.44 -0.36 -1.91 0.20 1.02 -1.26 -5.01 120.64 108.88 3iie n GLU 192 Ca 0.07 -0.63 -0.42 0.00 -0.02 0.00 0.00 57.16 56.16 3iie n GLU 192 Cb 0.42 -0.98 -0.03 0.00 -0.02 0.00 0.00 31.44 30.83 3iie n GLU 192 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3iie s THR 193 N -0.15 2.60 0.20 2.62 2.01 -1.15 -4.98 115.64 116.79 3iie s THR 193 Ca 0.00 0.40 -0.33 0.00 0.31 0.00 0.00 61.69 62.08 3iie s THR 193 Cb 0.00 -3.26 -0.14 0.00 0.01 0.00 0.00 72.50 69.11 3iie s THR 193 CO 0.00 0.03 1.49 -0.81 -0.69 0.00 0.00 174.62 174.64 3iie n PRO 194 N 4.16 2.08 -0.16 4.92 -0.04 -1.26 -4.89 135.00 139.81 3iie n PRO 194 Ca 0.14 0.75 0.20 0.00 -0.04 0.00 0.00 63.50 64.55 3iie n PRO 194 Cb 0.38 -2.46 0.59 0.00 -0.04 0.00 0.00 33.50 31.97 3iie n PRO 194 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3iie h LEU 195 N 5.09 0.24 -0.51 1.53 3.38 -1.96 -0.84 115.31 122.24 3iie h LEU 195 Ca -0.45 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3iie h LEU 195 Cb 1.27 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3iie h LEU 195 CO 0.82 0.11 0.00 -1.54 0.09 0.00 0.00 178.44 177.93 3iie n SER 196 N -4.43 0.42 0.00 -0.43 3.41 -1.26 -1.39 113.62 109.95 3iie n SER 196 Ca 0.16 0.62 0.12 0.00 -0.26 0.00 0.00 58.87 59.50 3iie n SER 196 Cb 0.68 -0.70 0.18 0.00 -0.26 0.00 0.00 64.21 64.11 3iie n SER 196 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iie n GLN 197 N -1.98 0.03 -0.21 4.33 6.02 -0.32 -4.46 117.38 120.79 3iie n GLN 197 Ca 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.03 3iie n GLN 197 Cb 0.18 -1.51 0.13 0.00 1.02 0.00 0.00 30.24 30.06 3iie n GLN 197 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 3iie h PHE 198 N 0.00 0.35 0.00 1.08 -1.00 -1.34 -1.42 116.94 114.62 3iie h PHE 198 Ca 0.00 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.81 3iie h PHE 198 Cb 0.52 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 40.02 3iie h PHE 198 CO 0.00 0.05 -0.00 0.66 -1.61 0.00 0.00 178.31 177.41 3iie h SER 199 N 0.37 0.00 -0.02 2.17 4.64 -1.78 -2.23 113.55 116.70 3iie h SER 199 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3iie h SER 199 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3iie h SER 199 CO -0.36 0.00 -0.08 0.47 -0.87 0.00 0.00 176.83 175.99 3iie n ASP 200 N -3.10 2.38 -4.71 4.97 10.43 -0.55 -4.52 116.55 121.45 3iie n ASP 200 Ca -0.03 -1.69 -0.43 0.00 2.57 0.00 0.00 54.79 55.22 3iie n ASP 200 Cb 0.10 0.10 -0.03 0.00 1.84 0.00 0.00 41.12 43.13 3iie n ASP 200 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3iie n VAL 201 N 0.80 0.11 -3.63 2.53 0.31 -0.84 -5.01 118.33 112.61 3iie n VAL 201 Ca 0.10 -0.03 -0.25 0.00 -0.01 0.00 0.00 64.34 64.16 3iie n VAL 201 Cb 0.45 -1.90 -0.02 0.00 -0.91 0.00 0.00 33.84 31.45 3iie n VAL 201 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3iie s THR 202 N 1.00 5.17 0.63 2.52 -4.23 -1.26 -4.37 115.64 115.10 3iie s THR 202 Ca 0.75 -0.54 0.26 0.00 -1.18 0.00 0.00 61.69 60.99 3iie s THR 202 Cb -0.53 -3.81 0.32 0.00 1.34 0.00 0.00 72.50 69.81 3iie s THR 202 CO 0.35 -0.36 1.78 -0.65 -0.54 0.00 0.00 174.62 175.20 3iie h PRO 203 N 1.33 0.00 0.28 3.99 0.11 -1.91 -2.71 132.00 133.08 3iie h PRO 203 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3iie h PRO 203 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3iie h PRO 203 CO 0.64 0.00 -0.13 -0.44 -0.21 0.00 0.00 178.00 177.86 3iie h ASP 204 N 0.00 -0.31 -1.99 -2.05 3.32 -1.97 -3.24 116.42 110.18 3iie h ASP 204 Ca 0.14 0.01 0.58 0.00 0.02 0.00 0.00 57.03 57.77 3iie h ASP 204 Cb 1.20 0.08 -0.08 0.00 0.22 0.00 0.00 39.33 40.75 3iie h ASP 204 CO -0.00 -0.13 1.43 1.56 -1.72 0.00 0.00 179.24 180.38 3iie h GLN 205 N -0.57 0.00 0.00 3.56 4.20 -1.89 -3.52 115.11 116.89 3iie h GLN 205 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3iie h GLN 205 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3iie h GLN 205 CO 0.06 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.22 3iie n ALA 206 N -2.93 0.00 0.00 3.87 0.00 -1.23 -4.91 120.51 115.31 3iie n ALA 206 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3iie n ALA 206 Cb 2.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 21.48 3iie n ALA 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3iie n ARG 216 N 0.00 5.30 -0.35 0.00 1.74 -1.26 -4.77 116.66 117.32 3iie n ARG 216 Ca 0.00 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.15 3iie n ARG 216 Cb 0.00 -0.50 0.23 0.00 -1.02 0.00 0.00 32.46 31.17 3iie n ARG 216 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3iie h LYS 217 N 0.00 0.92 -0.16 5.56 3.64 -2.00 -2.28 116.57 122.25 3iie h LYS 217 Ca 0.00 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3iie h LYS 217 Cb 0.00 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 31.56 3iie h LYS 217 CO 0.00 0.61 -0.17 0.82 -2.27 0.00 0.00 179.45 178.44 3iie h ILE 218 N 0.95 0.54 -0.16 2.00 2.04 -2.01 -0.17 117.51 120.70 3iie h ILE 218 Ca 0.49 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.40 3iie h ILE 218 Cb 0.49 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 3iie h ILE 218 CO -0.27 0.00 -0.21 0.28 0.00 0.00 0.00 178.15 177.95 3iie h SER 219 N -0.20 -0.65 -0.71 1.72 0.02 -1.80 -2.58 113.55 109.35 3iie h SER 219 Ca 0.11 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 3iie h SER 219 Cb 0.36 0.30 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 3iie h SER 219 CO -0.28 -0.25 0.34 0.58 -1.14 0.00 0.00 176.83 176.08 3iie h VAL 220 N -0.25 1.23 -0.57 2.27 2.07 -1.01 -0.08 116.25 119.92 3iie h VAL 220 Ca 0.11 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 67.00 3iie h VAL 220 Cb 0.41 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3iie h VAL 220 CO -0.31 0.28 0.38 0.44 0.02 0.00 0.00 177.57 178.38 3iie h ASP 221 N 1.00 0.55 1.10 0.57 3.32 -0.77 0.12 116.42 122.29 3iie h ASP 221 Ca 0.24 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3iie h ASP 221 Cb 0.12 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3iie h ASP 221 CO -0.03 0.38 -0.72 0.77 -1.72 0.00 0.00 179.24 177.92 3iie h SER 222 N 0.64 0.00 -0.39 6.45 4.64 -1.03 0.21 113.55 124.07 3iie h SER 222 Ca 0.23 -0.07 -0.16 0.00 -0.47 0.00 0.00 61.79 61.32 3iie h SER 222 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3iie h SER 222 CO -0.06 0.04 -0.38 0.00 -0.87 0.00 0.00 176.83 175.55 3iie h ALA 223 N 2.19 0.57 0.00 5.18 0.00 0.10 -3.10 119.26 124.20 3iie h ALA 223 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3iie h ALA 223 Cb 0.91 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3iie h ALA 223 CO 0.00 0.68 -0.50 0.25 0.00 0.00 0.00 179.25 179.68 3iie n THR 224 N -4.06 0.34 -1.25 0.00 -2.24 -0.06 -4.80 114.28 102.21 3iie n THR 224 Ca -0.02 -0.24 -0.08 0.00 -2.27 0.00 0.00 64.05 61.43 3iie n THR 224 Cb 0.55 -0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.57 3iie n THR 224 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3iie n MET 225 N -2.05 -0.89 -0.34 -0.78 2.81 -0.25 -4.42 117.12 111.20 3iie n MET 225 Ca 0.04 0.74 -0.02 0.00 -1.81 0.00 0.00 57.70 56.65 3iie n MET 225 Cb 0.42 -4.69 0.11 0.00 -0.71 0.00 0.00 33.22 28.35 3iie n MET 225 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 3iie h MET 226 N 0.12 1.16 -0.86 0.03 2.07 -1.02 -1.55 114.93 114.87 3iie h MET 226 Ca -0.17 -0.07 0.16 0.00 -2.07 0.00 0.00 59.70 57.55 3iie h MET 226 Cb 0.71 -0.26 -0.16 0.00 -1.87 0.00 0.00 31.60 30.02 3iie h MET 226 CO 0.25 0.77 -0.28 -0.97 1.07 0.00 0.00 176.91 177.76 3iie h ASN 227 N 1.20 -1.01 -0.27 1.22 -1.24 -1.26 0.10 115.58 114.31 3iie h ASN 227 Ca 0.35 0.27 -0.08 0.00 0.71 0.00 0.00 56.30 57.55 3iie h ASN 227 Cb -0.07 0.60 -0.01 0.00 0.73 0.00 0.00 38.32 39.57 3iie h ASN 227 CO -0.10 -0.29 -0.15 0.50 -1.29 0.00 0.00 177.43 176.10 3iie h LYS 228 N -0.02 0.58 -0.77 6.67 1.63 -1.60 0.45 116.57 123.51 3iie h LYS 228 Ca 0.38 -0.27 0.04 0.00 -0.85 0.00 0.00 60.65 59.95 3iie h LYS 228 Cb 0.62 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.19 3iie h LYS 228 CO -0.89 0.84 0.48 0.78 -3.45 0.00 0.00 179.45 177.20 3iie h GLY 229 N 0.32 1.13 0.74 5.01 0.00 -0.75 0.52 103.07 110.03 3iie h GLY 229 Ca 0.06 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.08 3iie h GLY 229 CO 0.04 0.28 0.28 1.41 0.00 0.00 0.00 176.54 178.56 3iie h LEU 230 N 0.91 0.42 -1.18 3.11 4.07 -0.58 -0.88 115.31 121.19 3iie h LEU 230 Ca 0.32 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.28 3iie h LEU 230 Cb 0.07 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 41.73 3iie h LEU 230 CO -0.13 0.29 0.28 -0.33 -1.08 0.00 0.00 178.44 177.47 3iie h GLU 231 N 0.55 0.86 0.24 1.13 5.08 0.33 -0.72 114.58 122.05 3iie h GLU 231 Ca 0.24 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3iie h GLU 231 Cb 0.13 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3iie h GLU 231 CO -0.15 0.67 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.49 3iie h TYR 232 N 0.86 -0.30 -0.12 4.33 3.20 0.59 0.32 116.97 125.84 3iie h TYR 232 Ca 0.21 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.11 3iie h TYR 232 Cb 0.10 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 3iie h TYR 232 CO 0.01 -0.15 -0.10 0.82 -1.64 0.00 0.00 178.16 177.10 3iie h ILE 233 N -0.38 0.71 -0.64 1.81 2.04 -0.95 -0.91 117.51 119.19 3iie h ILE 233 Ca -0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 3iie h ILE 233 Cb 0.29 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3iie h ILE 233 CO 0.06 0.00 0.39 -0.33 0.00 0.00 0.00 178.15 178.27 3iie h GLU 234 N -0.11 0.86 -0.40 2.37 5.08 -0.96 -2.23 114.58 119.18 3iie h GLU 234 Ca 0.08 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 3iie h GLU 234 Cb 0.23 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3iie h GLU 234 CO -0.19 0.60 -0.13 0.00 -1.00 0.00 0.00 179.01 178.28 3iie h ALA 235 N 1.56 1.02 -0.73 3.43 0.00 0.20 0.84 119.26 125.57 3iie h ALA 235 Ca 0.23 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3iie h ALA 235 Cb -0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3iie h ALA 235 CO -0.04 0.59 0.47 0.00 0.00 0.00 0.00 179.25 180.26 3iie h ARG 236 N 0.66 0.98 0.13 0.00 2.47 -0.56 -2.11 114.38 115.95 3iie h ARG 236 Ca 0.11 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 3iie h ARG 236 Cb 0.60 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 3iie h ARG 236 CO 0.04 0.67 -0.06 -1.49 0.56 0.00 0.00 179.97 179.68 3iie h TRP 237 N 0.99 -0.16 -0.75 3.04 4.06 -1.23 -2.00 115.95 119.91 3iie h TRP 237 Ca 0.27 -0.00 0.17 0.00 2.06 0.00 0.00 58.89 61.38 3iie h TRP 237 Cb -0.08 0.05 -0.12 0.00 -1.00 0.00 0.00 29.16 28.02 3iie h TRP 237 CO -0.02 0.31 0.15 1.25 -3.56 0.00 0.00 178.44 176.57 3iie h LEU 238 N -0.75 -0.06 -1.50 -4.49 5.85 -0.83 -2.83 115.31 110.69 3iie h LEU 238 Ca -0.02 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3iie h LEU 238 Cb 0.54 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3iie h LEU 238 CO 0.03 -0.08 -0.10 0.49 -0.34 0.00 0.00 178.44 178.44 3iie n PHE 239 N -5.20 0.00 -3.38 1.25 3.72 -0.80 -1.98 117.46 111.07 3iie n PHE 239 Ca 0.15 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.37 3iie n PHE 239 Cb 0.48 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.10 3iie n PHE 239 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3iie n ASN 240 N 0.74 -3.21 -4.70 4.37 5.15 -0.80 -4.68 115.26 112.12 3iie n ASN 240 Ca 0.10 -0.55 -0.35 0.00 -0.60 0.00 0.00 54.58 53.17 3iie n ASN 240 Cb 0.44 -4.77 -0.09 0.00 -0.53 0.00 0.00 39.78 34.82 3iie n ASN 240 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3iie s ALA 241 N -3.32 3.42 0.86 5.20 0.00 -0.88 -4.68 121.76 122.36 3iie s ALA 241 Ca 0.16 -0.75 -0.12 0.00 0.00 0.00 0.00 51.96 51.24 3iie s ALA 241 Cb -0.07 -1.71 0.11 0.00 0.00 0.00 0.00 23.12 21.45 3iie s ALA 241 CO 0.68 0.45 1.13 -1.54 0.00 0.00 0.00 175.76 176.48 3iie s SER 242 N -0.47 3.96 0.31 0.00 1.04 -1.26 -4.67 113.70 112.61 3iie s SER 242 Ca 0.09 1.05 0.09 0.00 0.48 0.00 0.00 55.95 57.66 3iie s SER 242 Cb -0.12 -1.66 0.88 0.00 0.10 0.00 0.00 66.02 65.22 3iie s SER 242 CO 0.02 -2.27 1.70 0.00 0.98 0.00 0.00 173.24 173.66 3iie h ALA 243 N -1.30 1.69 0.00 5.32 0.00 -1.99 -0.25 119.26 122.73 3iie h ALA 243 Ca -0.49 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3iie h ALA 243 Cb 1.31 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3iie h ALA 243 CO 0.62 -0.38 0.00 1.05 0.00 0.00 0.00 179.25 180.53 3iie h GLU 244 N 0.44 0.00 -0.64 0.00 4.11 -2.00 -3.04 114.58 113.45 3iie h GLU 244 Ca 0.64 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.07 3iie h GLU 244 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3iie h GLU 244 CO -0.54 0.00 0.00 1.04 0.07 0.00 0.00 179.01 179.58 3iie n GLN 245 N -2.41 3.98 -3.76 1.06 6.02 -0.11 -4.88 117.38 117.28 3iie n GLN 245 Ca 0.03 -2.64 -0.14 0.00 -0.01 0.00 0.00 57.00 54.24 3iie n GLN 245 Cb 0.31 -2.03 -0.15 0.00 1.02 0.00 0.00 30.24 29.39 3iie n GLN 245 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 3iie s ILE 246 N -2.23 -0.05 0.13 5.09 2.07 -1.15 -1.27 121.20 123.78 3iie s ILE 246 Ca 0.46 0.20 0.10 0.00 -1.41 0.00 0.00 60.65 60.00 3iie s ILE 246 Cb 0.33 -0.14 -0.04 0.00 0.13 0.00 0.00 42.46 42.74 3iie s ILE 246 CO 0.17 0.08 -0.23 -1.83 -1.91 0.00 0.00 174.94 171.22 3iie s GLU 247 N 1.09 1.28 -0.17 3.50 -1.05 -0.40 -4.94 118.70 118.00 3iie s GLU 247 Ca -0.09 -1.29 -0.06 0.00 -0.15 0.00 0.00 54.97 53.38 3iie s GLU 247 Cb -0.12 -1.60 -0.04 0.00 -0.44 0.00 0.00 34.13 31.93 3iie s GLU 247 CO -0.04 0.37 0.04 0.08 0.95 0.00 0.00 175.26 176.65 3iie s VAL 248 N -1.29 4.58 -0.04 1.83 1.01 -1.26 -1.02 120.40 124.21 3iie s VAL 248 Ca 0.12 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.02 3iie s VAL 248 Cb -0.09 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3iie s VAL 248 CO 0.06 0.48 -0.12 -0.69 0.00 0.00 0.00 175.10 174.82 3iie s VAL 249 N 0.30 1.08 -0.01 2.92 1.01 -0.27 -4.47 120.40 120.96 3iie s VAL 249 Ca 0.02 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 3iie s VAL 249 Cb -0.13 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3iie s VAL 249 CO 0.01 0.33 0.93 -0.76 0.00 0.00 0.00 175.10 175.60 3iie s LEU 250 N 0.26 4.37 -0.32 3.92 1.02 0.24 -2.20 118.68 125.96 3iie s LEU 250 Ca -0.06 1.59 -0.02 0.00 0.02 0.00 0.00 54.13 55.66 3iie s LEU 250 Cb -0.11 -3.49 0.12 0.00 0.02 0.00 0.00 46.19 42.73 3iie s LEU 250 CO 0.02 -0.22 0.17 -2.28 0.02 0.00 0.00 176.35 174.05 3iie s HIS 251 N 0.91 0.54 0.45 0.29 5.65 0.20 0.03 115.29 123.35 3iie s HIS 251 Ca 0.49 -1.25 0.26 0.00 0.25 0.00 0.00 55.06 54.81 3iie s HIS 251 Cb -0.21 -0.93 1.46 0.00 -1.18 0.00 0.00 32.58 31.73 3iie s HIS 251 CO 0.26 -0.83 2.09 -1.35 -0.65 0.00 0.00 174.74 174.27 3iie h PRO 252 N 7.74 0.00 0.00 2.88 0.11 -1.73 -2.63 132.00 138.38 3iie h PRO 252 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3iie h PRO 252 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3iie h PRO 252 CO 0.36 0.11 -0.75 1.96 -0.21 0.00 0.00 178.00 179.47 3iie h GLN 253 N 0.00 0.00 -5.94 1.05 7.50 -1.89 -3.45 115.11 112.37 3iie h GLN 253 Ca -0.00 0.00 -0.45 0.00 0.50 0.00 0.00 58.65 58.70 3iie h GLN 253 Cb 0.28 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.80 3iie h GLN 253 CO 0.01 0.00 -0.71 0.43 -1.50 0.00 0.00 178.83 177.07 3iie n SER 254 N -2.36 -5.05 -0.03 1.46 7.64 -0.99 -4.90 113.62 109.39 3iie n SER 254 Ca 0.02 -0.65 -0.16 0.00 1.01 0.00 0.00 58.87 59.09 3iie n SER 254 Cb 0.48 -4.04 -0.13 0.00 -1.01 0.00 0.00 64.21 59.51 3iie n SER 254 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3iie h VAL 255 N -1.96 1.65 -3.02 0.44 2.07 -1.87 -3.44 116.25 110.12 3iie h VAL 255 Ca -0.55 -2.40 -0.55 0.00 0.82 0.00 0.00 66.70 64.02 3iie h VAL 255 Cb 1.36 3.27 -0.01 0.00 -1.52 0.00 0.00 31.29 34.39 3iie h VAL 255 CO 0.63 0.63 0.74 -0.63 0.02 0.00 0.00 177.57 178.96 3iie s ILE 256 N -2.30 4.00 -0.17 4.57 -1.09 -1.26 -2.25 121.20 122.69 3iie s ILE 256 Ca -0.18 1.37 0.20 0.00 -2.23 0.00 0.00 60.65 59.81 3iie s ILE 256 Cb -0.01 -3.88 -0.09 0.00 -1.58 0.00 0.00 42.46 36.90 3iie s ILE 256 CO 0.73 0.01 0.88 1.41 -1.23 0.00 0.00 174.94 176.74 3iie n HIS 257 N 5.13 0.84 0.00 3.97 8.25 -0.03 -4.93 115.22 128.45 3iie n HIS 257 Ca 0.12 0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.84 3iie n HIS 257 Cb 0.45 -0.95 0.00 0.00 1.12 0.00 0.00 29.99 30.61 3iie n HIS 257 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3iie n SER 258 N -2.70 0.00 -3.82 0.41 7.64 -1.25 -4.27 113.62 109.63 3iie n SER 258 Ca -0.05 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.75 3iie n SER 258 Cb 0.66 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.83 3iie n SER 258 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3iie s MET 259 N -2.00 1.69 -0.04 1.43 1.00 -0.38 -2.70 119.30 118.31 3iie s MET 259 Ca 0.00 -1.24 -0.00 0.00 0.00 0.00 0.00 55.69 54.45 3iie s MET 259 Cb 0.00 0.52 0.03 0.00 0.00 0.00 0.00 34.83 35.37 3iie s MET 259 CO 0.00 -0.73 0.01 0.08 0.00 0.00 0.00 175.02 174.38 3iie s VAL 260 N -3.78 0.15 0.02 -6.03 1.01 0.40 0.66 120.40 112.83 3iie s VAL 260 Ca 0.20 0.15 -0.19 0.00 0.00 0.00 0.00 61.98 62.14 3iie s VAL 260 Cb -0.02 -0.28 -0.06 0.00 0.00 0.00 0.00 36.38 36.02 3iie s VAL 260 CO 0.10 0.16 0.53 -0.13 0.00 0.00 0.00 175.10 175.76 3iie s ARG 261 N 1.31 4.18 0.43 2.72 0.52 0.14 -1.12 118.95 127.13 3iie s ARG 261 Ca -0.06 0.64 0.07 0.00 -0.52 0.00 0.00 55.73 55.87 3iie s ARG 261 Cb -0.13 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.03 3iie s ARG 261 CO -0.02 0.54 0.26 0.71 0.02 0.00 0.00 175.30 176.80 3iie s TYR 262 N -0.73 2.56 0.40 -0.53 2.02 -0.19 -0.91 117.35 119.97 3iie s TYR 262 Ca 0.28 -0.58 0.11 0.00 -0.37 0.00 0.00 57.07 56.51 3iie s TYR 262 Cb -0.18 -2.02 0.82 0.00 -0.40 0.00 0.00 41.96 40.17 3iie s TYR 262 CO 0.17 0.04 1.91 0.45 -1.57 0.00 0.00 175.55 176.55 3iie h HIS 263 N 1.25 0.14 0.00 2.71 3.86 -1.09 0.72 115.15 122.74 3iie h HIS 263 Ca -0.42 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 3iie h HIS 263 Cb 1.26 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.69 3iie h HIS 263 CO 0.63 0.33 0.00 -0.40 0.86 0.00 0.00 177.93 179.35 3iie n ASP 264 N -4.24 0.00 0.00 2.45 5.75 -1.26 -4.90 116.55 114.34 3iie n ASP 264 Ca -0.01 -0.54 0.00 0.00 -0.01 0.00 0.00 54.79 54.23 3iie n ASP 264 Cb 0.30 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 3iie n ASP 264 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iie n GLY 265 N 0.73 0.68 3.80 6.12 0.00 0.25 -5.05 105.19 111.73 3iie n GLY 265 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3iie n GLY 265 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iie s SER 266 N -2.61 6.08 -0.02 1.61 0.15 -1.25 -4.77 113.70 112.88 3iie s SER 266 Ca 0.00 1.84 0.05 0.00 0.70 0.00 0.00 55.95 58.54 3iie s SER 266 Cb 0.00 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.76 3iie s SER 266 CO 0.00 -0.96 -0.17 -0.63 1.20 0.00 0.00 173.24 172.67 3iie s ILE 267 N -2.29 1.40 -0.07 6.45 1.09 -1.26 -1.02 121.20 125.51 3iie s ILE 267 Ca 0.65 -0.74 0.02 0.00 -1.10 0.00 0.00 60.65 59.48 3iie s ILE 267 Cb -0.16 -1.18 -0.02 0.00 -1.06 0.00 0.00 42.46 40.04 3iie s ILE 267 CO 0.30 0.40 -0.13 -0.76 -0.10 0.00 0.00 174.94 174.65 3iie s LEU 268 N -0.26 2.80 0.09 2.97 1.43 -0.28 -4.95 118.68 120.49 3iie s LEU 268 Ca 0.03 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 3iie s LEU 268 Cb -0.08 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 3iie s LEU 268 CO 0.00 0.32 -0.11 0.00 0.23 0.00 0.00 176.35 176.78 3iie s ALA 269 N -0.55 1.17 -0.11 4.21 0.00 -1.26 -0.45 121.76 124.76 3iie s ALA 269 Ca 0.08 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 3iie s ALA 269 Cb -0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 3iie s ALA 269 CO 0.01 0.03 -0.07 -1.14 0.00 0.00 0.00 175.76 174.59 3iie s GLN 270 N -2.51 3.17 0.28 0.00 -0.44 -1.10 -4.95 119.66 114.11 3iie s GLN 270 Ca 0.04 -0.57 0.08 0.00 -2.50 0.00 0.00 55.36 52.40 3iie s GLN 270 Cb -0.05 -2.69 -0.06 0.00 -1.64 0.00 0.00 33.01 28.57 3iie s GLN 270 CO 0.01 0.43 -0.09 -1.64 0.50 0.00 0.00 175.29 174.50 3iie s MET 271 N -0.19 1.58 0.00 1.67 -1.94 -1.26 -0.85 119.30 118.31 3iie s MET 271 Ca 0.02 -1.78 0.00 0.00 -1.71 0.00 0.00 55.69 52.22 3iie s MET 271 Cb -0.13 -1.32 0.00 0.00 2.01 0.00 0.00 34.83 35.39 3iie s MET 271 CO 0.03 0.11 0.00 0.41 -0.01 0.00 0.00 175.02 175.56 3iie n GLY 272 N -0.60 -0.81 4.00 -0.03 0.00 -0.96 -4.94 105.19 101.86 3iie n GLY 272 Ca -0.06 -0.91 -0.18 0.00 0.00 0.00 0.00 46.02 44.87 3iie n GLY 272 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iie s THR 273 N -3.00 2.91 -2.00 2.61 -4.23 -1.26 -4.68 115.64 105.99 3iie s THR 273 Ca 0.00 -0.93 0.10 0.00 -1.18 0.00 0.00 61.69 59.69 3iie s THR 273 Cb 0.00 -2.98 0.29 0.00 1.34 0.00 0.00 72.50 71.15 3iie s THR 273 CO 0.00 0.00 1.04 -2.65 -0.54 0.00 0.00 174.62 172.47 3iie n PRO 274 N -1.97 0.38 -1.97 3.99 -0.02 -1.26 -4.83 135.00 129.32 3iie n PRO 274 Ca 0.08 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.13 3iie n PRO 274 Cb 0.59 -1.43 -0.03 0.00 -0.02 0.00 0.00 33.50 32.62 3iie n PRO 274 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3iie s ASP 275 N -1.95 6.11 0.35 2.55 -1.08 -1.26 -4.87 116.67 116.52 3iie s ASP 275 Ca 0.15 1.65 0.15 0.00 -0.52 0.00 0.00 52.55 53.99 3iie s ASP 275 Cb 0.07 -2.53 1.14 0.00 -1.46 0.00 0.00 42.92 40.14 3iie s ASP 275 CO 0.12 -1.47 1.62 -0.03 0.52 0.00 0.00 175.17 175.93 3iie h MET 276 N 11.96 0.16 -0.00 4.34 -1.53 -2.01 -1.51 114.93 126.33 3iie h MET 276 Ca -0.36 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 55.89 3iie h MET 276 Cb 1.18 -0.04 -0.00 0.00 -0.55 0.00 0.00 31.60 32.19 3iie h MET 276 CO 1.00 0.10 0.09 0.00 0.14 0.00 0.00 176.91 178.24 3iie h ARG 277 N 0.16 0.00 0.76 0.39 3.08 -1.90 -2.87 114.38 114.01 3iie h ARG 277 Ca 0.76 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.77 3iie h ARG 277 Cb 1.83 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.89 3iie h ARG 277 CO -0.70 0.00 -0.37 1.15 -1.07 0.00 0.00 179.97 178.98 3iie h THR 278 N 0.00 0.00 -0.49 2.04 2.02 -1.66 0.13 112.91 114.95 3iie h THR 278 Ca 0.00 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 66.89 3iie h THR 278 Cb 0.17 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 3iie h THR 278 CO -0.00 0.00 0.05 1.55 0.37 0.00 0.00 175.52 177.49 3iie h PRO 279 N -1.26 0.77 -0.65 6.66 0.13 -1.77 0.82 132.00 136.69 3iie h PRO 279 Ca -0.10 -0.18 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 3iie h PRO 279 Cb 0.79 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.78 3iie h PRO 279 CO 0.17 0.75 0.34 0.82 -0.23 0.00 0.00 178.00 179.85 3iie h ILE 280 N 0.73 1.21 -0.02 -3.56 2.04 -1.49 0.36 117.51 116.79 3iie h ILE 280 Ca 0.15 -0.57 -0.23 0.00 1.00 0.00 0.00 64.86 65.22 3iie h ILE 280 Cb 0.37 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3iie h ILE 280 CO 0.01 0.24 -0.92 0.00 0.00 0.00 0.00 178.15 177.48 3iie h ALA 281 N 1.16 0.36 -0.19 1.87 0.00 -0.45 0.37 119.26 122.38 3iie h ALA 281 Ca 0.23 -0.69 0.05 0.00 0.00 0.00 0.00 54.91 54.50 3iie h ALA 281 Cb 0.08 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 3iie h ALA 281 CO -0.03 0.79 -0.19 1.25 0.00 0.00 0.00 179.25 181.07 3iie h HIS 282 N 0.27 -0.48 -0.61 0.00 -0.00 -0.61 -0.62 115.15 113.10 3iie h HIS 282 Ca -0.08 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.23 3iie h HIS 282 Cb 1.55 0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 29.18 3iie h HIS 282 CO 0.06 -0.26 0.02 0.00 -0.00 0.00 0.00 177.93 177.75 3iie h ALA 283 N 0.87 0.82 -0.37 5.26 0.00 -0.65 -0.92 119.26 124.26 3iie h ALA 283 Ca 0.12 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 3iie h ALA 283 Cb 0.38 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3iie h ALA 283 CO -0.31 0.64 -0.24 0.52 0.00 0.00 0.00 179.25 179.86 3iie h MET 284 N 0.96 0.81 0.00 0.00 2.86 -0.72 -3.14 114.93 115.71 3iie h MET 284 Ca 0.18 -0.38 -0.08 0.00 -2.06 0.00 0.00 59.70 57.36 3iie h MET 284 Cb 0.53 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 3iie h MET 284 CO 0.03 1.01 -0.37 0.00 1.06 0.00 0.00 176.91 178.64 3iie h ALA 285 N 0.78 0.77 -0.75 6.32 0.00 -0.98 -3.47 119.26 121.94 3iie h ALA 285 Ca 0.08 -0.34 -0.61 0.00 0.00 0.00 0.00 54.91 54.04 3iie h ALA 285 Cb 0.80 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.56 3iie h ALA 285 CO 0.07 0.46 0.19 0.98 0.00 0.00 0.00 179.25 180.95 3iie n TYR 286 N -3.21 0.73 1.31 0.00 4.19 -0.36 -0.54 117.16 119.28 3iie n TYR 286 Ca 0.02 0.81 0.12 0.00 3.31 0.00 0.00 57.90 62.17 3iie n TYR 286 Cb 0.67 -1.59 0.43 0.00 0.49 0.00 0.00 39.34 39.34 3iie n TYR 286 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3iie n PRO 287 N 1.69 1.75 -2.14 2.98 -0.04 -1.26 -5.06 135.00 132.92 3iie n PRO 287 Ca 0.17 -1.11 -0.22 0.00 -0.04 0.00 0.00 63.50 62.30 3iie n PRO 287 Cb 0.03 -1.44 0.13 0.00 -0.04 0.00 0.00 33.50 32.18 3iie n PRO 287 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3iie n MET 288 N 0.34 -0.40 -4.26 0.54 2.81 0.30 -5.12 117.12 111.32 3iie n MET 288 Ca 0.17 -2.23 -0.18 0.00 -1.81 0.00 0.00 57.70 53.65 3iie n MET 288 Cb 0.36 -0.80 -0.11 0.00 -0.71 0.00 0.00 33.22 31.96 3iie n MET 288 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3iie s ARG 289 N -5.07 1.08 0.12 0.03 1.81 -1.26 -4.51 118.95 111.15 3iie s ARG 289 Ca 0.62 -1.29 0.02 0.00 -1.72 0.00 0.00 55.73 53.35 3iie s ARG 289 Cb -0.03 -0.96 -0.04 0.00 -0.45 0.00 0.00 34.95 33.47 3iie s ARG 289 CO 0.42 0.18 -0.05 0.14 -0.68 0.00 0.00 175.30 175.31 3iie s VAL 290 N -2.23 0.73 0.29 3.52 -7.23 -1.26 -5.02 120.40 109.20 3iie s VAL 290 Ca 0.11 -1.96 -0.22 0.00 -1.81 0.00 0.00 61.98 58.10 3iie s VAL 290 Cb -0.04 -1.80 -0.09 0.00 0.56 0.00 0.00 36.38 35.00 3iie s VAL 290 CO 0.04 -0.77 0.84 -0.44 -0.31 0.00 0.00 175.10 174.46 3iie s SER 291 N -3.08 7.16 -0.38 4.85 0.01 -1.26 -4.90 113.70 116.09 3iie s SER 291 Ca 0.15 1.62 0.12 0.00 1.31 0.00 0.00 55.95 59.15 3iie s SER 291 Cb 0.05 -2.50 0.39 0.00 0.21 0.00 0.00 66.02 64.17 3iie s SER 291 CO -0.02 -0.06 1.00 -0.24 0.41 0.00 0.00 173.24 174.33 3iie n SER 292 N 0.47 -0.13 0.00 2.44 2.88 -1.26 -4.80 113.62 113.22 3iie n SER 292 Ca 0.01 -2.93 0.00 0.00 -1.33 0.00 0.00 58.87 54.61 3iie n SER 292 Cb 0.51 0.22 0.00 0.00 -0.75 0.00 0.00 64.21 64.19 3iie n SER 292 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3iie n GLY 293 N 0.01 0.17 3.71 0.46 0.00 -1.26 -4.96 105.19 103.31 3iie n GLY 293 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3iie n GLY 293 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iie s VAL 294 N -1.36 4.90 -0.01 1.61 1.01 -1.26 -5.00 120.40 120.29 3iie s VAL 294 Ca 0.00 1.89 -0.30 0.00 0.00 0.00 0.00 61.98 63.58 3iie s VAL 294 Cb 0.00 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 32.07 3iie s VAL 294 CO 0.00 0.15 1.66 0.00 0.00 0.00 0.00 175.10 176.91 3iie s ALA 295 N 1.18 3.63 0.21 5.51 0.00 -1.26 -4.95 121.76 126.07 3iie s ALA 295 Ca 0.47 1.02 -0.32 0.00 0.00 0.00 0.00 51.96 53.13 3iie s ALA 295 Cb -0.20 -3.73 -0.13 0.00 0.00 0.00 0.00 23.12 19.07 3iie s ALA 295 CO 0.23 -1.31 1.65 -2.30 0.00 0.00 0.00 175.76 174.04 3iie n PRO 296 N 6.68 2.54 -1.59 0.00 -0.02 -1.26 -4.80 135.00 136.54 3iie n PRO 296 Ca 0.17 0.91 -0.50 0.00 -2.02 0.00 0.00 63.50 62.06 3iie n PRO 296 Cb 0.42 -2.72 -0.05 0.00 -0.02 0.00 0.00 33.50 31.14 3iie n PRO 296 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3iie n LEU 297 N 3.49 1.71 -4.38 2.45 7.94 -1.26 -4.93 117.00 122.02 3iie n LEU 297 Ca 0.15 1.13 -0.38 0.00 -1.11 0.00 0.00 56.01 55.80 3iie n LEU 297 Cb 0.33 -1.22 -0.12 0.00 0.53 0.00 0.00 43.42 42.94 3iie n LEU 297 CO 0.64 -1.11 -0.23 -0.62 -1.11 0.00 0.00 177.39 174.96 3iie s ASP 298 N 0.26 5.41 0.06 1.96 -1.08 -1.26 -4.98 116.67 117.04 3iie s ASP 298 Ca 0.78 -0.73 0.15 0.00 -0.52 0.00 0.00 52.55 52.23 3iie s ASP 298 Cb -0.88 -1.95 0.65 0.00 -1.46 0.00 0.00 42.92 39.28 3iie s ASP 298 CO 0.49 -0.24 1.47 0.49 0.52 0.00 0.00 175.17 177.90 3iie n PHE 299 N 4.93 0.19 0.72 -5.34 3.01 -1.26 -1.53 117.46 118.17 3iie n PHE 299 Ca -0.14 0.08 0.13 0.00 1.01 0.00 0.00 57.45 58.53 3iie n PHE 299 Cb 0.48 -0.62 0.47 0.00 -0.01 0.00 0.00 39.48 39.79 3iie n PHE 299 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3iie n LYS 301 N -2.02 2.85 -3.17 0.00 5.02 -0.58 -4.92 118.16 115.34 3iie n LYS 301 Ca 0.06 -0.39 -0.32 0.00 -2.02 0.00 0.00 58.31 55.64 3iie n LYS 301 Cb 0.39 -0.94 -0.06 0.00 -0.02 0.00 0.00 35.03 34.40 3iie n LYS 301 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3iie s VAL 302 N -1.18 4.71 0.00 -0.18 -7.23 -1.14 -5.05 120.40 110.33 3iie s VAL 302 Ca 0.05 0.89 0.00 0.00 -1.81 0.00 0.00 61.98 61.10 3iie s VAL 302 Cb 0.05 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.38 3iie s VAL 302 CO 0.19 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 3iie n GLY 303 N -0.35 1.30 3.70 2.32 0.00 -1.26 -4.98 105.19 105.91 3iie n GLY 303 Ca 0.03 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 3iie n GLY 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iie s ALA 304 N -3.59 3.31 -0.05 4.61 0.00 -1.26 -5.05 121.76 119.73 3iie s ALA 304 Ca 0.00 0.43 -0.24 0.00 0.00 0.00 0.00 51.96 52.15 3iie s ALA 304 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 3iie s ALA 304 CO 0.00 -0.46 0.71 -0.51 0.00 0.00 0.00 175.76 175.50 3iie s LEU 305 N 1.63 4.33 0.17 0.00 1.43 -1.26 -4.92 118.68 120.07 3iie s LEU 305 Ca 0.50 1.23 0.07 0.00 -1.03 0.00 0.00 54.13 54.89 3iie s LEU 305 Cb -0.19 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 3iie s LEU 305 CO 0.22 -0.10 -0.14 0.42 0.23 0.00 0.00 176.35 176.98 3iie s THR 306 N 0.69 1.54 0.02 5.49 -4.23 -1.26 -5.12 115.64 112.76 3iie s THR 306 Ca 0.38 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 3iie s THR 306 Cb -0.18 -1.88 -0.02 0.00 1.34 0.00 0.00 72.50 71.76 3iie s THR 306 CO 0.19 -0.57 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.31 3iie s PHE 307 N -2.81 0.25 0.21 3.99 0.08 -1.26 -4.01 117.98 114.43 3iie s PHE 307 Ca 0.18 -0.43 -0.20 0.00 0.12 0.00 0.00 56.93 56.60 3iie s PHE 307 Cb -0.01 -0.18 0.04 0.00 -0.57 0.00 0.00 43.02 42.30 3iie s PHE 307 CO 0.05 -0.15 0.60 -0.08 -0.10 0.00 0.00 175.22 175.54 3iie s THR 308 N -1.18 0.01 0.13 0.64 -1.32 0.10 -4.99 115.64 109.03 3iie s THR 308 Ca -0.13 -0.64 -0.10 0.00 -1.21 0.00 0.00 61.69 59.62 3iie s THR 308 Cb -0.08 -1.56 -0.06 0.00 -1.51 0.00 0.00 72.50 69.29 3iie s THR 308 CO -0.01 -0.05 0.45 0.42 -2.21 0.00 0.00 174.62 173.22 3iie s THR 309 N -3.86 5.04 0.17 5.08 -4.23 -1.26 0.79 115.64 117.38 3iie s THR 309 Ca 0.08 0.44 -0.30 0.00 -1.18 0.00 0.00 61.69 60.73 3iie s THR 309 Cb -0.02 -3.65 -0.09 0.00 1.34 0.00 0.00 72.50 70.08 3iie s THR 309 CO -0.02 0.18 1.35 -2.84 -0.54 0.00 0.00 174.62 172.74 3iie s PRO 310 N -2.20 4.36 -0.57 3.99 0.02 -1.26 -4.79 135.00 134.54 3iie s PRO 310 Ca 0.38 2.08 -0.26 0.00 0.02 0.00 0.00 61.00 63.21 3iie s PRO 310 Cb -0.13 -3.21 0.03 0.00 0.02 0.00 0.00 34.50 31.21 3iie s PRO 310 CO 0.20 -0.33 1.09 0.34 -0.33 0.00 0.00 177.00 177.97 3iie s ASP 311 N 0.62 6.39 0.62 2.53 -1.08 -1.26 -4.91 116.67 119.58 3iie s ASP 311 Ca 0.60 -0.10 0.34 0.00 -0.52 0.00 0.00 52.55 52.87 3iie s ASP 311 Cb -0.37 -2.50 1.99 0.00 -1.46 0.00 0.00 42.92 40.58 3iie s ASP 311 CO 0.36 -1.38 2.26 1.88 0.52 0.00 0.00 175.17 178.80 3iie h TYR 312 N 9.46 0.00 -0.31 -5.34 0.05 -1.94 1.61 116.97 120.50 3iie h TYR 312 Ca -0.26 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.49 3iie h TYR 312 Cb 1.06 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.79 3iie h TYR 312 CO 0.99 0.00 0.07 0.37 -1.05 0.00 0.00 178.16 178.53 3iie h GLN 313 N 0.00 0.49 -0.13 4.88 4.15 -1.97 -0.96 115.11 121.58 3iie h GLN 313 Ca 0.01 -0.12 -0.19 0.00 0.77 0.00 0.00 58.65 59.12 3iie h GLN 313 Cb 0.11 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.73 3iie h GLN 313 CO -0.00 0.58 -0.71 -0.09 -1.93 0.00 0.00 178.83 176.68 3iie h ARG 314 N 0.33 0.57 -2.30 1.69 2.43 -1.55 -3.40 114.38 112.15 3iie h ARG 314 Ca 0.09 -0.44 -0.60 0.00 -0.81 0.00 0.00 59.98 58.23 3iie h ARG 314 Cb 0.31 0.08 -0.41 0.00 -0.42 0.00 0.00 29.97 29.53 3iie h ARG 314 CO 0.00 1.06 -0.70 0.66 -1.51 0.00 0.00 179.97 179.48 3iie n TYR 315 N -3.89 2.65 0.05 2.20 4.01 0.53 -4.94 117.16 117.76 3iie n TYR 315 Ca -0.05 -4.03 -0.03 0.00 -0.16 0.00 0.00 57.90 53.62 3iie n TYR 315 Cb 0.70 -0.49 0.20 0.00 -0.31 0.00 0.00 39.34 39.44 3iie n TYR 315 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3iie h PRO 316 N 4.39 0.38 -0.98 -0.72 0.11 -1.40 -2.70 132.00 131.08 3iie h PRO 316 Ca 0.17 -0.16 0.25 0.00 0.11 0.00 0.00 66.00 66.36 3iie h PRO 316 Cb 0.73 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.75 3iie h PRO 316 CO 0.73 0.68 0.65 0.00 -0.21 0.00 0.00 178.00 179.85 3iie h LEU 318 N 0.34 0.17 -1.57 0.00 6.46 -1.70 0.17 115.31 119.18 3iie h LEU 318 Ca 0.53 -0.33 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 3iie h LEU 318 Cb 1.44 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.31 3iie h LEU 318 CO -0.20 0.45 0.15 0.50 -0.62 0.00 0.00 178.44 178.72 3iie h LYS 319 N -0.12 0.44 -0.26 1.25 3.64 -1.32 -1.17 116.57 119.02 3iie h LYS 319 Ca 0.03 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 3iie h LYS 319 Cb 0.37 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3iie h LYS 319 CO 0.01 0.35 -0.36 1.25 -2.27 0.00 0.00 179.45 178.42 3iie h LEU 320 N 0.44 0.77 -0.75 5.20 5.85 -0.04 0.01 115.31 126.79 3iie h LEU 320 Ca 0.11 -0.51 0.03 0.00 0.84 0.00 0.00 57.88 58.36 3iie h LEU 320 Cb 0.06 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 3iie h LEU 320 CO -0.02 1.12 0.48 0.00 -0.34 0.00 0.00 178.44 179.69 3iie h ALA 321 N 0.67 0.99 -0.30 1.25 0.00 -0.34 0.35 119.26 121.87 3iie h ALA 321 Ca 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3iie h ALA 321 Cb 0.95 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3iie h ALA 321 CO 0.08 0.28 0.10 0.82 0.00 0.00 0.00 179.25 180.54 3iie h ILE 322 N 0.94 1.20 -0.72 0.00 2.04 -0.94 -1.11 117.51 118.92 3iie h ILE 322 Ca 0.30 -0.62 0.05 0.00 1.00 0.00 0.00 64.86 65.59 3iie h ILE 322 Cb 0.01 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 3iie h ILE 322 CO -0.11 0.21 0.43 0.44 0.00 0.00 0.00 178.15 179.12 3iie h ASP 323 N 0.34 0.66 -0.25 1.72 3.32 -0.28 -1.76 116.42 120.17 3iie h ASP 323 Ca 0.10 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 3iie h ASP 323 Cb 0.23 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3iie h ASP 323 CO -0.00 0.44 0.08 0.00 -1.72 0.00 0.00 179.24 178.04 3iie h ALA 324 N 1.34 0.33 -0.59 3.45 0.00 -0.06 -1.78 119.26 121.95 3iie h ALA 324 Ca 0.31 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.19 3iie h ALA 324 Cb 0.13 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 3iie h ALA 324 CO -0.15 -0.05 0.11 0.00 0.00 0.00 0.00 179.25 179.15 3iie h ASN 326 N 0.23 0.00 1.74 0.00 2.35 -0.84 -2.77 115.58 116.29 3iie h ASN 326 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 3iie h ASN 326 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 3iie h ASN 326 CO -0.41 0.31 -0.02 0.00 -1.65 0.00 0.00 177.43 175.65 3iie h ALA 327 N 1.69 0.99 0.00 -0.83 0.00 -0.37 -3.50 119.26 117.23 3iie h ALA 327 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iie h ALA 327 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3iie h ALA 327 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 3iie n GLY 328 N 1.20 0.77 0.18 0.00 0.00 -0.71 -4.73 105.19 101.90 3iie n GLY 328 Ca 0.05 -2.27 -0.06 0.00 0.00 0.00 0.00 46.02 43.74 3iie n GLY 328 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3iie h GLN 329 N 0.00 0.30 -0.51 1.61 4.15 -1.86 -1.77 115.11 117.03 3iie h GLN 329 Ca 0.00 -0.20 0.01 0.00 0.77 0.00 0.00 58.65 59.23 3iie h GLN 329 Cb 0.00 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 3iie h GLN 329 CO 0.00 0.79 0.34 0.00 -1.93 0.00 0.00 178.83 178.03 3iie h ALA 330 N 1.16 0.65 -0.18 3.38 0.00 -1.86 -0.29 119.26 122.11 3iie h ALA 330 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3iie h ALA 330 Cb 1.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3iie h ALA 330 CO 0.09 0.09 0.05 0.00 0.00 0.00 0.00 179.25 179.49 3iie h ALA 331 N 1.19 0.24 -0.45 0.00 0.00 -1.65 0.14 119.26 118.72 3iie h ALA 331 Ca 0.19 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3iie h ALA 331 Cb -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3iie h ALA 331 CO -0.04 -0.12 -0.16 1.79 0.00 0.00 0.00 179.25 180.72 3iie h THR 332 N 0.12 1.27 0.07 0.00 1.35 -1.34 0.25 112.91 114.62 3iie h THR 332 Ca 0.06 -1.27 -0.00 0.00 -0.55 0.00 0.00 66.41 64.65 3iie h THR 332 Cb 0.25 1.08 -0.00 0.00 -1.73 0.00 0.00 68.15 67.75 3iie h THR 332 CO -0.00 0.43 -0.05 0.74 -0.25 0.00 0.00 175.52 176.40 3iie h THR 333 N 0.76 0.90 -0.96 6.82 2.02 -0.88 0.63 112.91 122.21 3iie h THR 333 Ca 0.12 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.39 3iie h THR 333 Cb 0.68 0.90 -0.08 0.00 -1.74 0.00 0.00 68.15 67.91 3iie h THR 333 CO 0.05 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.54 3iie h ALA 334 N 0.82 1.39 -0.10 6.16 0.00 -0.35 -2.43 119.26 124.75 3iie h ALA 334 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3iie h ALA 334 Cb 0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3iie h ALA 334 CO 0.00 0.27 0.03 1.25 0.00 0.00 0.00 179.25 180.80 3iie h LEU 335 N 1.01 0.15 -0.24 0.00 5.85 0.23 0.11 115.31 122.41 3iie h LEU 335 Ca 0.45 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 59.02 3iie h LEU 335 Cb 0.35 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 3iie h LEU 335 CO -0.23 0.33 -0.29 -1.13 -0.34 0.00 0.00 178.44 176.78 3iie h ASN 336 N -0.04 -0.93 -0.48 1.25 -1.24 -0.71 -0.91 115.58 112.53 3iie h ASN 336 Ca 0.03 0.15 -0.02 0.00 0.71 0.00 0.00 56.30 57.17 3iie h ASN 336 Cb 0.23 0.42 -0.02 0.00 0.73 0.00 0.00 38.32 39.68 3iie h ASN 336 CO -0.00 -0.32 0.22 0.00 -1.29 0.00 0.00 177.43 176.04 3iie h ALA 337 N 0.66 0.63 -0.31 1.57 0.00 -1.24 -2.51 119.26 118.06 3iie h ALA 337 Ca 0.13 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3iie h ALA 337 Cb 0.51 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3iie h ALA 337 CO -0.41 0.21 0.13 0.00 0.00 0.00 0.00 179.25 179.18 3iie h ALA 338 N 1.06 0.37 -0.66 0.00 0.00 -0.63 -2.71 119.26 116.68 3iie h ALA 338 Ca 0.16 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3iie h ALA 338 Cb 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3iie h ALA 338 CO -0.02 -0.26 0.41 -0.97 0.00 0.00 0.00 179.25 178.41 3iie h ASN 339 N 0.28 0.67 -0.54 0.00 -1.24 -0.90 0.18 115.58 114.03 3iie h ASN 339 Ca 0.14 0.00 0.11 0.00 0.71 0.00 0.00 56.30 57.26 3iie h ASN 339 Cb 0.08 -0.14 -0.10 0.00 0.73 0.00 0.00 38.32 38.88 3iie h ASN 339 CO -0.12 0.47 -0.15 -0.33 -1.29 0.00 0.00 177.43 176.01 3iie h GLU 340 N 0.80 -0.01 -0.17 6.67 4.39 -1.14 0.17 114.58 125.29 3iie h GLU 340 Ca 0.27 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.93 3iie h GLU 340 Cb 0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3iie h GLU 340 CO -0.11 -0.01 -0.05 0.82 -1.16 0.00 0.00 179.01 178.51 3iie h ILE 341 N -0.01 1.29 -0.28 3.13 1.08 -1.24 -2.08 117.51 119.40 3iie h ILE 341 Ca 0.26 -1.02 0.06 0.00 -0.39 0.00 0.00 64.86 63.76 3iie h ILE 341 Cb 0.41 1.61 -0.06 0.00 -3.07 0.00 0.00 36.82 35.71 3iie h ILE 341 CO -0.56 0.30 -0.09 -1.28 -0.69 0.00 0.00 178.15 175.83 3iie h SER 342 N 0.04 -0.31 -0.16 1.72 0.87 -0.30 -0.93 113.55 114.49 3iie h SER 342 Ca 0.04 0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.65 3iie h SER 342 Cb 0.49 0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.64 3iie h SER 342 CO 0.02 -0.11 -0.09 0.58 -0.53 0.00 0.00 176.83 176.69 3iie h VAL 343 N -0.03 1.32 -0.85 2.23 2.07 -0.59 -1.55 116.25 118.85 3iie h VAL 343 Ca 0.14 -1.17 0.10 0.00 0.82 0.00 0.00 66.70 66.59 3iie h VAL 343 Cb 0.24 1.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 3iie h VAL 343 CO -0.30 0.35 0.50 0.24 0.02 0.00 0.00 177.57 178.37 3iie h MET 344 N 0.01 0.80 -0.04 1.57 2.07 -1.31 0.21 114.93 118.24 3iie h MET 344 Ca 0.03 -0.05 -0.03 0.00 -2.07 0.00 0.00 59.70 57.58 3iie h MET 344 Cb 0.58 -0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 30.13 3iie h MET 344 CO 0.03 0.53 -0.13 0.00 1.07 0.00 0.00 176.91 178.41 3iie h ALA 345 N 1.47 1.72 -0.10 6.32 0.00 -0.73 0.14 119.26 128.07 3iie h ALA 345 Ca 0.41 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 3iie h ALA 345 Cb 0.38 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.14 3iie h ALA 345 CO -0.25 0.21 -0.60 0.35 0.00 0.00 0.00 179.25 178.97 3iie h PHE 346 N 0.06 0.79 -0.40 0.00 3.57 -0.07 -1.27 116.94 119.62 3iie h PHE 346 Ca 0.01 -0.36 -0.06 0.00 3.53 0.00 0.00 57.97 61.09 3iie h PHE 346 Cb 0.27 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 3iie h PHE 346 CO 0.00 1.16 -0.01 -0.07 -2.23 0.00 0.00 178.31 177.16 3iie h LEU 347 N 0.20 0.62 -0.26 0.59 4.07 -0.11 -2.85 115.31 117.56 3iie h LEU 347 Ca -0.05 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.78 3iie h LEU 347 Cb 1.25 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.82 3iie h LEU 347 CO 0.12 0.69 0.00 0.47 -1.08 0.00 0.00 178.44 178.65 3iie n ASP 348 N -4.24 0.38 -2.62 -0.43 10.43 0.45 -4.88 116.55 115.64 3iie n ASP 348 Ca 0.02 -1.86 -0.14 0.00 2.57 0.00 0.00 54.79 55.37 3iie n ASP 348 Cb 0.28 -0.04 0.06 0.00 1.84 0.00 0.00 41.12 43.25 3iie n ASP 348 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3iie n SER 349 N -0.36 -3.83 -0.00 -2.24 7.64 -1.08 -4.93 113.62 108.82 3iie n SER 349 Ca 0.06 -0.39 0.02 0.00 1.01 0.00 0.00 58.87 59.57 3iie n SER 349 Cb 0.08 -3.60 -0.03 0.00 -1.01 0.00 0.00 64.21 59.65 3iie n SER 349 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3iie n LYS 350 N -3.39 1.24 -3.82 1.43 5.02 -0.50 -5.06 118.16 113.08 3iie n LYS 350 Ca -0.07 -0.03 -0.12 0.00 -2.02 0.00 0.00 58.31 56.07 3iie n LYS 350 Cb 0.57 -1.01 -0.09 0.00 -0.02 0.00 0.00 35.03 34.48 3iie n LYS 350 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3iie s ILE 351 N -2.09 0.09 0.37 -0.18 -5.25 -1.08 -4.98 121.20 108.08 3iie s ILE 351 Ca -0.01 -0.70 -0.28 0.00 -0.99 0.00 0.00 60.65 58.67 3iie s ILE 351 Cb 0.03 -0.72 -0.11 0.00 2.95 0.00 0.00 42.46 44.60 3iie s ILE 351 CO 0.16 -0.39 1.50 0.54 -1.79 0.00 0.00 174.94 174.96 3iie n ARG 352 N 1.01 2.67 -0.33 0.37 3.00 -1.26 -4.55 116.66 117.57 3iie n ARG 352 Ca -0.20 0.94 0.20 0.00 -0.01 0.00 0.00 57.85 58.77 3iie n ARG 352 Cb 0.57 -2.67 0.38 0.00 0.00 0.00 0.00 32.46 30.74 3iie n ARG 352 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 3iie h PHE 353 N 3.19 0.31 0.00 -1.55 3.57 -1.79 0.43 116.94 121.10 3iie h PHE 353 Ca -0.50 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3iie h PHE 353 Cb 1.24 0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.01 3iie h PHE 353 CO 0.54 -0.40 0.00 0.00 -2.23 0.00 0.00 178.31 176.21 3iie h THR 354 N 0.05 0.00 -0.18 4.41 1.03 -1.85 -3.01 112.91 113.36 3iie h THR 354 Ca 0.67 -0.47 -0.12 0.00 -0.01 0.00 0.00 66.41 66.47 3iie h THR 354 Cb 1.53 1.42 -0.01 0.00 -1.07 0.00 0.00 68.15 70.02 3iie h THR 354 CO -0.82 0.00 -0.42 0.44 -0.01 0.00 0.00 175.52 174.70 3iie h ASP 355 N 0.00 0.44 -0.85 0.00 3.32 -0.48 -3.39 116.42 115.47 3iie h ASP 355 Ca 0.00 -0.20 0.12 0.00 0.02 0.00 0.00 57.03 56.97 3iie h ASP 355 Cb 0.50 -0.12 -0.13 0.00 0.22 0.00 0.00 39.33 39.79 3iie h ASP 355 CO 0.00 0.82 -0.43 0.40 -1.72 0.00 0.00 179.24 178.31 3iie h ILE 356 N 0.34 0.04 -0.38 0.35 2.04 -1.57 0.18 117.51 118.52 3iie h ILE 356 Ca 0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.94 3iie h ILE 356 Cb 0.89 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 3iie h ILE 356 CO 0.07 0.00 0.08 -0.08 0.00 0.00 0.00 178.15 178.22 3iie h GLU 357 N -0.08 0.20 -0.20 2.37 4.22 -1.81 -1.07 114.58 118.21 3iie h GLU 357 Ca 0.26 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.67 3iie h GLU 357 Cb 0.55 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3iie h GLU 357 CO -0.87 0.13 0.05 -0.24 -2.18 0.00 0.00 179.01 175.90 3iie h VAL 358 N 0.21 1.20 -0.42 0.32 3.04 -0.91 0.33 116.25 120.02 3iie h VAL 358 Ca 0.18 -0.66 0.06 0.00 -1.01 0.00 0.00 66.70 65.28 3iie h VAL 358 Cb 0.21 1.25 -0.09 0.00 -2.01 0.00 0.00 31.29 30.65 3iie h VAL 358 CO -0.23 0.20 -0.47 0.40 -1.01 0.00 0.00 177.57 176.46 3iie h ILE 359 N 0.14 0.07 -0.39 3.17 2.04 -1.18 0.13 117.51 121.50 3iie h ILE 359 Ca 0.06 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.00 3iie h ILE 359 Cb 0.27 0.07 -0.07 0.00 -0.74 0.00 0.00 36.82 36.35 3iie h ILE 359 CO 0.00 0.00 -0.03 0.78 0.00 0.00 0.00 178.15 178.90 3iie h ASN 360 N -0.35 -0.22 0.23 1.72 2.35 -0.69 -1.24 115.58 117.38 3iie h ASN 360 Ca 0.12 0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.87 3iie h ASN 360 Cb 0.59 0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 3iie h ASN 360 CO -0.59 -0.07 -0.38 -0.09 -1.65 0.00 0.00 177.43 174.65 3iie h ARG 361 N 0.07 0.21 -0.38 0.81 2.43 -0.07 -0.48 114.38 116.96 3iie h ARG 361 Ca 0.19 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.16 3iie h ARG 361 Cb 0.28 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3iie h ARG 361 CO -0.34 0.56 -0.17 1.15 -1.51 0.00 0.00 179.97 179.66 3iie h THR 362 N 0.18 1.28 0.07 0.20 2.02 -0.22 0.13 112.91 116.57 3iie h THR 362 Ca 0.02 -1.29 -0.00 0.00 0.77 0.00 0.00 66.41 65.90 3iie h THR 362 Cb 0.76 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 3iie h THR 362 CO 0.06 0.43 -0.03 0.58 0.37 0.00 0.00 175.52 176.92 3iie h VAL 363 N 0.59 1.16 -0.95 3.16 2.07 -0.94 0.02 116.25 121.36 3iie h VAL 363 Ca 0.09 -0.83 0.13 0.00 0.82 0.00 0.00 66.70 66.90 3iie h VAL 363 Cb 0.72 1.70 -0.09 0.00 -1.52 0.00 0.00 31.29 32.10 3iie h VAL 363 CO 0.05 0.21 0.58 0.58 0.02 0.00 0.00 177.57 179.00 3iie h VAL 364 N -0.47 0.86 -0.00 2.57 2.07 -1.03 -0.97 116.25 119.29 3iie h VAL 364 Ca -0.01 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3iie h VAL 364 Cb 0.41 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3iie h VAL 364 CO 0.02 0.16 -0.24 -0.62 0.02 0.00 0.00 177.57 176.91 3iie n GLU 365 N -4.69 0.11 -0.23 1.57 1.02 0.45 -4.00 120.64 114.86 3iie n GLU 365 Ca 0.18 -0.04 0.11 0.00 -0.02 0.00 0.00 57.16 57.40 3iie n GLU 365 Cb 0.38 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.56 3iie n GLU 365 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iie n GLY 366 N 1.47 1.68 3.59 0.62 0.00 -0.02 -4.98 105.19 107.55 3iie n GLY 366 Ca 0.07 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 3iie n GLY 366 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iie s LEU 367 N -1.31 3.17 -0.48 0.99 1.43 -1.23 -5.06 118.68 116.19 3iie s LEU 367 Ca 0.40 -0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 53.33 3iie s LEU 367 Cb 0.22 -1.76 0.12 0.00 0.03 0.00 0.00 46.19 44.81 3iie s LEU 367 CO 0.30 0.32 0.34 -0.76 0.23 0.00 0.00 176.35 176.79 3iie s LEU 368 N -1.12 5.64 0.28 1.79 1.02 -1.26 -5.07 118.68 119.96 3iie s LEU 368 Ca 0.15 -2.01 0.12 0.00 0.02 0.00 0.00 54.13 52.41 3iie s LEU 368 Cb -0.11 -1.98 -0.05 0.00 0.02 0.00 0.00 46.19 44.07 3iie s LEU 368 CO 0.05 -0.65 -0.20 -0.76 0.02 0.00 0.00 176.35 174.81 3iie s LEU 369 N 1.22 2.60 0.03 1.79 1.43 -1.26 -5.13 118.68 119.35 3iie s LEU 369 Ca 0.07 -1.02 -0.01 0.00 -1.03 0.00 0.00 54.13 52.15 3iie s LEU 369 Cb -0.25 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 3iie s LEU 369 CO -0.02 0.04 0.17 -0.44 0.23 0.00 0.00 176.35 176.33 3iie s SER 370 N -3.50 6.17 -0.12 2.29 0.01 -1.26 -5.06 113.70 112.23 3iie s SER 370 Ca 0.30 0.24 -0.35 0.00 1.31 0.00 0.00 55.95 57.45 3iie s SER 370 Cb -0.05 -1.87 -0.12 0.00 0.21 0.00 0.00 66.02 64.19 3iie s SER 370 CO 0.15 0.21 1.90 -0.62 0.41 0.00 0.00 173.24 175.29 3iie n GLU 371 N 0.64 2.04 -2.22 12.44 -0.58 -1.26 -4.73 120.64 126.97 3iie n GLU 371 Ca -0.08 0.74 -0.34 0.00 -0.42 0.00 0.00 57.16 57.06 3iie n GLU 371 Cb 0.52 -2.61 0.00 0.00 -0.57 0.00 0.00 31.44 28.78 3iie n GLU 371 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3iie s PRO 372 N 4.22 3.39 -0.07 3.49 0.04 -1.26 -4.96 135.00 139.85 3iie s PRO 372 Ca 0.94 1.42 0.15 0.00 0.04 0.00 0.00 61.00 63.56 3iie s PRO 372 Cb -0.72 -2.03 0.31 0.00 0.04 0.00 0.00 34.50 32.10 3iie s PRO 372 CO 0.52 -0.79 1.14 0.25 0.04 0.00 0.00 177.00 178.17 3iie n THR 373 N -1.53 0.78 -3.64 1.26 -2.24 -1.26 -4.95 114.28 102.70 3iie n THR 373 Ca 0.10 -1.47 -0.10 0.00 -2.27 0.00 0.00 64.05 60.31 3iie n THR 373 Cb 0.52 0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 3iie n THR 373 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3iie s SER 374 N -2.18 -0.38 0.23 3.42 1.04 -1.26 -5.01 113.70 109.56 3iie s SER 374 Ca 0.27 -0.31 -0.06 0.00 0.48 0.00 0.00 55.95 56.32 3iie s SER 374 Cb 0.28 0.62 0.36 0.00 0.10 0.00 0.00 66.02 67.38 3iie s SER 374 CO -0.08 -1.08 1.77 0.58 0.98 0.00 0.00 173.24 175.41 3iie h VAL 375 N 2.08 0.81 -0.30 5.02 2.07 -1.99 -2.04 116.25 121.90 3iie h VAL 375 Ca -0.29 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.07 3iie h VAL 375 Cb 1.28 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3iie h VAL 375 CO 0.34 0.11 0.09 -0.08 0.02 0.00 0.00 177.57 178.05 3iie h GLU 376 N 0.58 0.21 -0.15 1.57 4.57 -2.00 -0.15 114.58 119.21 3iie h GLU 376 Ca 0.37 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.45 3iie h GLU 376 Cb 0.42 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 3iie h GLU 376 CO -0.29 0.14 -0.28 0.93 -1.18 0.00 0.00 179.01 178.32 3iie h GLU 377 N 0.21 0.28 -0.31 1.92 5.08 -1.91 -1.63 114.58 118.22 3iie h GLU 377 Ca 0.14 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 3iie h GLU 377 Cb 0.12 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 3iie h GLU 377 CO -0.15 0.54 0.01 0.28 -1.00 0.00 0.00 179.01 178.69 3iie h VAL 378 N 0.25 0.79 -0.86 3.13 2.07 -0.59 -2.15 116.25 118.89 3iie h VAL 378 Ca 0.04 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3iie h VAL 378 Cb 0.63 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3iie h VAL 378 CO 0.05 0.02 0.53 -0.07 0.02 0.00 0.00 177.57 178.12 3iie h LEU 379 N 0.11 1.02 -0.59 2.57 3.38 -0.28 -2.02 115.31 119.51 3iie h LEU 379 Ca 0.15 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3iie h LEU 379 Cb 0.19 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3iie h LEU 379 CO -0.24 0.78 0.26 0.58 0.09 0.00 0.00 178.44 179.91 3iie h VAL 380 N 1.19 1.22 0.00 1.22 2.07 -1.10 -1.29 116.25 119.56 3iie h VAL 380 Ca 0.31 -0.66 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 3iie h VAL 380 Cb -0.07 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3iie h VAL 380 CO -0.06 0.26 -0.36 0.40 0.02 0.00 0.00 177.57 177.83 3iie h ILE 381 N 0.81 1.15 -0.10 4.57 2.04 -1.12 -2.25 117.51 122.61 3iie h ILE 381 Ca 0.20 -1.30 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 3iie h ILE 381 Cb 0.17 1.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 3iie h ILE 381 CO -0.02 0.36 -0.06 -0.78 0.00 0.00 0.00 178.15 177.65 3iie h ASP 382 N 0.00 0.22 0.34 1.72 3.58 -0.76 -1.69 116.42 119.84 3iie h ASP 382 Ca -0.00 -0.44 -0.02 0.00 0.42 0.00 0.00 57.03 56.99 3iie h ASP 382 Cb 0.69 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.68 3iie h ASP 382 CO 0.05 0.61 -0.16 0.03 -2.88 0.00 0.00 179.24 176.88 3iie h ARG 383 N -0.16 -0.44 -0.84 0.28 3.08 -1.07 -0.94 114.38 114.29 3iie h ARG 383 Ca 0.02 0.03 0.21 0.00 0.07 0.00 0.00 59.98 60.31 3iie h ARG 383 Cb 0.53 0.10 -0.15 0.00 0.08 0.00 0.00 29.97 30.54 3iie h ARG 383 CO 0.02 -0.20 0.06 -0.22 -1.07 0.00 0.00 179.97 178.56 3iie h LYS 384 N -0.61 0.11 -0.02 0.04 1.63 -1.46 -0.18 116.57 116.07 3iie h LYS 384 Ca -0.05 -0.01 -0.22 0.00 -0.85 0.00 0.00 60.65 59.53 3iie h LYS 384 Cb 0.45 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 3iie h LYS 384 CO 0.08 0.07 -0.89 0.00 -3.45 0.00 0.00 179.45 175.26 3iie h ALA 385 N 1.79 0.42 -0.73 5.00 0.00 -0.97 -1.38 119.26 123.39 3iie h ALA 385 Ca 0.49 -0.68 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3iie h ALA 385 Cb 0.92 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3iie h ALA 385 CO -0.72 0.80 0.36 0.00 0.00 0.00 0.00 179.25 179.70 3iie h ARG 386 N 0.25 1.03 -0.08 0.00 3.08 -0.40 -1.51 114.38 116.74 3iie h ARG 386 Ca -0.07 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 59.77 3iie h ARG 386 Cb 1.51 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.36 3iie h ARG 386 CO 0.15 0.78 -0.27 -0.44 -1.07 0.00 0.00 179.97 179.12 3iie h ASP 387 N 1.03 0.38 -0.57 7.04 3.32 -0.54 -1.51 116.42 125.58 3iie h ASP 387 Ca 0.25 -0.62 0.09 0.00 0.02 0.00 0.00 57.03 56.78 3iie h ASP 387 Cb 0.08 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 39.45 3iie h ASP 387 CO -0.04 0.93 0.18 0.58 -1.72 0.00 0.00 179.24 179.18 3iie h VAL 388 N -0.15 0.75 -0.70 -1.35 2.07 -1.23 -0.85 116.25 114.81 3iie h VAL 388 Ca -0.01 -0.12 0.09 0.00 0.82 0.00 0.00 66.70 67.48 3iie h VAL 388 Cb 0.90 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 3iie h VAL 388 CO 0.06 0.06 0.35 0.00 0.02 0.00 0.00 177.57 178.06 3iie h ALA 389 N 1.41 0.95 -0.57 1.67 0.00 -1.09 0.20 119.26 121.83 3iie h ALA 389 Ca 0.29 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.33 3iie h ALA 389 Cb 0.36 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 3iie h ALA 389 CO -0.31 -0.04 0.22 0.00 0.00 0.00 0.00 179.25 179.11 3iie h ALA 390 N 1.42 0.72 0.04 0.00 0.00 -0.13 -2.09 119.26 119.22 3iie h ALA 390 Ca 0.34 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 3iie h ALA 390 Cb 0.34 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3iie h ALA 390 CO -0.26 -0.18 -0.02 1.96 0.00 0.00 0.00 179.25 180.75 3iie h GLN 391 N 0.41 -0.06 -1.09 0.00 4.20 0.31 -2.62 115.11 116.25 3iie h GLN 391 Ca 0.28 0.00 0.30 0.00 0.06 0.00 0.00 58.65 59.29 3iie h GLN 391 Cb 0.31 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.01 3iie h GLN 391 CO -0.27 0.29 0.71 0.28 -0.67 0.00 0.00 178.83 179.17 3iie h VAL 392 N -0.41 0.46 -0.34 -0.54 2.07 -0.49 0.12 116.25 117.11 3iie h VAL 392 Ca -0.01 -0.11 -0.16 0.00 0.82 0.00 0.00 66.70 67.25 3iie h VAL 392 Cb 0.37 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3iie h VAL 392 CO 0.01 0.06 -0.40 0.40 0.02 0.00 0.00 177.57 177.66 3iie h ILE 393 N 0.31 1.28 -0.46 4.57 2.04 -1.03 -2.42 117.51 121.80 3iie h ILE 393 Ca 0.62 -1.57 0.13 0.00 1.00 0.00 0.00 64.86 65.04 3iie h ILE 393 Cb 1.73 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 39.28 3iie h ILE 393 CO -0.28 0.52 0.45 0.00 0.00 0.00 0.00 178.15 178.84 3iie h ALA 394 N 0.74 2.21 -0.03 1.87 0.00 -0.64 -3.51 119.26 119.90 3iie h ALA 394 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3iie h ALA 394 Cb 0.99 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3iie h ALA 394 CO 0.10 -0.69 0.00 1.63 0.00 0.00 0.00 179.25 180.29