#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a3i s ILE 28 N 0.00 3.01 -1.27 2.02 1.01 -0.63 -4.89 121.20 120.46 3a3i s ILE 28 Ca 0.00 0.90 -0.15 0.00 0.00 0.00 0.00 60.65 61.39 3a3i s ILE 28 Cb 0.00 -3.52 0.12 0.00 0.01 0.00 0.00 42.46 39.06 3a3i s ILE 28 CO 0.00 0.12 1.64 -3.20 0.00 0.00 0.00 174.94 173.50 3a3i n ASN 29 N 0.28 5.02 -0.04 3.58 2.85 -1.26 -4.75 115.26 120.95 3a3i n ASN 29 Ca 0.03 -2.95 -0.06 0.00 -0.11 0.00 0.00 54.58 51.49 3a3i n ASN 29 Cb 0.45 -1.65 0.15 0.00 1.24 0.00 0.00 39.78 39.96 3a3i n ASN 29 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 3a3i h VAL 30 N 4.99 1.27 -0.56 3.44 2.07 -1.96 -2.76 116.25 122.74 3a3i h VAL 30 Ca 0.39 -1.30 0.10 0.00 0.82 0.00 0.00 66.70 66.71 3a3i h VAL 30 Cb 0.85 1.28 -0.08 0.00 -1.52 0.00 0.00 31.29 31.82 3a3i h VAL 30 CO 1.39 0.42 0.10 -1.28 0.02 0.00 0.00 177.57 178.22 3a3i h SER 31 N 0.55 -0.04 -0.58 0.57 0.87 -1.99 0.18 113.55 113.11 3a3i h SER 31 Ca 0.08 0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 3a3i h SER 31 Cb 0.70 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.79 3a3i h SER 31 CO 0.05 -0.00 0.24 -0.78 -0.53 0.00 0.00 176.83 175.81 3a3i h ASP 32 N 0.23 0.82 -0.45 6.23 3.58 -1.90 -2.73 116.42 122.20 3a3i h ASP 32 Ca 0.29 -0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.56 3a3i h ASP 32 Cb 0.42 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 3a3i h ASP 32 CO -0.39 0.75 0.07 -0.07 -2.88 0.00 0.00 179.24 176.72 3a3i h LEU 33 N 0.88 0.76 -2.09 2.28 3.38 -0.72 -2.43 115.31 117.38 3a3i h LEU 33 Ca 0.21 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3a3i h LEU 33 Cb 0.19 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3a3i h LEU 33 CO -0.02 0.79 0.09 0.71 0.09 0.00 0.00 178.44 180.10 3a3i h THR 34 N 0.77 0.00 -0.33 0.22 1.35 -0.44 -2.17 112.91 112.31 3a3i h THR 34 Ca 0.16 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 66.12 3a3i h THR 34 Cb 0.36 0.70 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 3a3i h THR 34 CO 0.01 0.00 0.43 1.56 -0.25 0.00 0.00 175.52 177.26 3a3i h GLN 35 N 0.00 0.00 0.00 4.72 1.08 -1.48 0.17 115.11 119.60 3a3i h GLN 35 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3a3i h GLN 35 Cb 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 3a3i h GLN 35 CO 0.00 0.00 -0.16 1.63 -0.95 0.00 0.00 178.83 179.35 3a3i n LYS 36 N -3.55 0.03 -2.35 1.46 4.76 -0.82 -4.85 118.16 112.84 3a3i n LYS 36 Ca 0.05 0.02 -0.31 0.00 -2.87 0.00 0.00 58.31 55.20 3a3i n LYS 36 Cb 0.57 -1.53 -0.02 0.00 -1.84 0.00 0.00 35.03 32.21 3a3i n LYS 36 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3a3i s LEU 37 N -3.16 3.56 0.51 -0.35 1.43 0.59 -4.66 118.68 116.60 3a3i s LEU 37 Ca 0.13 1.44 -0.22 0.00 -1.03 0.00 0.00 54.13 54.45 3a3i s LEU 37 Cb 0.18 -4.40 -0.08 0.00 0.03 0.00 0.00 46.19 41.92 3a3i s LEU 37 CO 0.59 -0.62 1.08 -2.65 0.23 0.00 0.00 176.35 174.97 3a3i n PRO 38 N -1.84 1.32 -1.60 1.29 -0.02 -1.26 -4.89 135.00 128.00 3a3i n PRO 38 Ca 0.06 0.48 -0.45 0.00 -2.02 0.00 0.00 63.50 61.57 3a3i n PRO 38 Cb 0.54 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 3a3i n PRO 38 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3a3i n GLU 39 N -0.45 1.39 0.00 -0.52 2.13 -1.26 -2.53 120.64 119.40 3a3i n GLU 39 Ca 0.11 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.41 3a3i n GLU 39 Cb 0.43 -1.89 0.00 0.00 0.27 0.00 0.00 31.44 30.25 3a3i n GLU 39 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a3i n GLY 40 N 1.32 3.40 3.86 8.31 0.00 -1.26 -4.79 105.19 116.03 3a3i n GLY 40 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3a3i n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a3i s SER 41 N -0.88 6.19 0.04 1.61 1.04 -1.05 -4.82 113.70 115.83 3a3i s SER 41 Ca 0.00 1.46 0.06 0.00 0.48 0.00 0.00 55.95 57.95 3a3i s SER 41 Cb 0.00 -2.48 -0.02 0.00 0.10 0.00 0.00 66.02 63.62 3a3i s SER 41 CO 0.00 -0.90 -0.16 0.21 0.98 0.00 0.00 173.24 173.38 3a3i s ASN 42 N -4.00 1.87 -0.04 7.02 3.04 0.09 -4.98 114.94 117.94 3a3i s ASN 42 Ca 0.56 -0.49 0.04 0.00 0.04 0.00 0.00 52.86 53.01 3a3i s ASN 42 Cb -0.11 -0.12 -0.00 0.00 -1.54 0.00 0.00 41.25 39.47 3a3i s ASN 42 CO 0.51 0.05 -0.16 0.00 -3.04 0.00 0.00 177.10 174.46 3a3i s ALA 43 N -0.88 1.44 -0.25 1.71 0.00 -1.26 -0.67 121.76 121.85 3a3i s ALA 43 Ca 0.03 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.33 3a3i s ALA 43 Cb -0.08 -0.46 0.04 0.00 0.00 0.00 0.00 23.12 22.62 3a3i s ALA 43 CO 0.02 0.28 -0.10 0.20 0.00 0.00 0.00 175.76 176.15 3a3i s GLY 44 N -0.02 1.61 -0.06 0.00 0.00 0.70 -4.54 107.32 105.02 3a3i s GLY 44 Ca -0.02 -1.60 0.03 0.00 0.00 0.00 0.00 44.72 43.13 3a3i s GLY 44 CO 0.02 0.54 -0.13 0.14 0.00 0.00 0.00 173.10 173.66 3a3i s VAL 45 N 1.20 1.19 -0.02 1.40 1.01 0.63 -0.71 120.40 125.11 3a3i s VAL 45 Ca -0.04 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 3a3i s VAL 45 Cb -0.18 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.13 3a3i s VAL 45 CO -0.06 0.36 0.14 -0.51 0.00 0.00 0.00 175.10 175.03 3a3i s ILE 46 N 0.56 0.05 -0.03 2.22 2.07 -0.40 -1.16 121.20 124.51 3a3i s ILE 46 Ca -0.13 -0.42 -0.11 0.00 -1.41 0.00 0.00 60.65 58.58 3a3i s ILE 46 Cb -0.15 -0.34 0.02 0.00 0.13 0.00 0.00 42.46 42.11 3a3i s ILE 46 CO 0.04 -0.23 0.24 0.00 -1.91 0.00 0.00 174.94 173.07 3a3i s ALA 47 N -0.80 -0.60 -0.02 1.50 0.00 -0.60 -0.82 121.76 120.43 3a3i s ALA 47 Ca -0.09 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.16 3a3i s ALA 47 Cb -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.05 3a3i s ALA 47 CO 0.01 -0.21 -0.11 0.21 0.00 0.00 0.00 175.76 175.65 3a3i s LYS 48 N -1.04 1.03 -0.57 0.00 2.20 0.19 -0.94 119.74 120.61 3a3i s LYS 48 Ca -0.11 -0.40 -0.27 0.00 -0.36 0.00 0.00 55.97 54.83 3a3i s LYS 48 Cb -0.05 -0.97 0.03 0.00 -1.51 0.00 0.00 37.83 35.33 3a3i s LYS 48 CO 0.03 0.21 1.09 1.21 -0.36 0.00 0.00 175.35 177.53 3a3i s ASN 49 N -0.10 6.40 0.26 1.43 3.84 0.12 -1.31 114.94 125.58 3a3i s ASN 49 Ca 0.01 -0.09 -0.02 0.00 0.21 0.00 0.00 52.86 52.98 3a3i s ASN 49 Cb -0.06 -2.51 0.34 0.00 -0.55 0.00 0.00 41.25 38.47 3a3i s ASN 49 CO 0.00 -1.38 1.78 0.40 -2.79 0.00 0.00 177.10 175.10 3a3i h ILE 50 N 6.10 1.24 -0.51 -5.21 2.04 -1.41 0.26 117.51 120.02 3a3i h ILE 50 Ca -0.25 -0.94 -0.07 0.00 1.00 0.00 0.00 64.86 64.59 3a3i h ILE 50 Cb 1.06 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3a3i h ILE 50 CO 1.15 0.34 0.03 0.78 0.00 0.00 0.00 178.15 180.45 3a3i h ASN 51 N 0.78 0.80 0.36 1.72 2.35 -1.91 -2.11 115.58 117.57 3a3i h ASN 51 Ca 0.16 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3a3i h ASN 51 Cb 0.40 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.56 3a3i h ASN 51 CO 0.01 0.85 -0.69 0.00 -1.65 0.00 0.00 177.43 175.95 3a3i n GLN 52 N -4.22 0.03 -3.81 0.81 6.02 -1.12 -4.96 117.38 110.12 3a3i n GLN 52 Ca 0.03 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.78 3a3i n GLN 52 Cb 0.29 -1.51 0.02 0.00 1.02 0.00 0.00 30.24 30.06 3a3i n GLN 52 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3a3i n ASN 53 N -1.55 -1.51 -4.20 1.08 5.15 0.86 -5.01 115.26 110.08 3a3i n ASN 53 Ca 0.05 -0.87 -0.30 0.00 -0.60 0.00 0.00 54.58 52.86 3a3i n ASN 53 Cb 0.34 -3.73 -0.17 0.00 -0.53 0.00 0.00 39.78 35.70 3a3i n ASN 53 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3a3i s GLN 54 N -6.25 2.53 -0.10 1.20 -1.52 -0.80 -4.95 119.66 109.78 3a3i s GLN 54 Ca 0.12 -0.79 -0.30 0.00 -1.95 0.00 0.00 55.36 52.44 3a3i s GLN 54 Cb -0.06 -2.04 -0.03 0.00 -0.22 0.00 0.00 33.01 30.66 3a3i s GLN 54 CO 0.84 0.24 1.32 0.42 -0.25 0.00 0.00 175.29 177.86 3a3i s ILE 55 N 0.16 4.10 -0.90 1.08 -1.09 -1.26 0.14 121.20 123.43 3a3i s ILE 55 Ca -0.11 1.38 0.12 0.00 -2.23 0.00 0.00 60.65 59.80 3a3i s ILE 55 Cb -0.15 -3.89 -0.05 0.00 -1.58 0.00 0.00 42.46 36.79 3a3i s ILE 55 CO 0.06 -0.08 0.62 2.30 -1.23 0.00 0.00 174.94 176.61 3a3i n ILE 56 N 5.11 0.00 -3.75 2.92 -5.35 -0.11 -4.92 119.36 113.25 3a3i n ILE 56 Ca 0.14 -0.33 -0.13 0.00 -0.27 0.00 0.00 62.75 62.16 3a3i n ILE 56 Cb 0.45 1.09 -0.10 0.00 -1.74 0.00 0.00 39.64 39.34 3a3i n ILE 56 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a3i s ALA 57 N -1.72 -0.85 -0.40 -1.28 0.00 -1.19 -1.60 121.76 114.72 3a3i s ALA 57 Ca 0.08 0.86 0.04 0.00 0.00 0.00 0.00 51.96 52.93 3a3i s ALA 57 Cb 0.09 -0.44 0.18 0.00 0.00 0.00 0.00 23.12 22.96 3a3i s ALA 57 CO 0.36 -0.19 0.74 0.34 0.00 0.00 0.00 175.76 177.01 3a3i s ASP 58 N -0.13 -1.24 -0.14 0.00 -1.08 -1.24 -1.55 116.67 111.29 3a3i s ASP 58 Ca -0.03 -0.71 -0.00 0.00 -0.52 0.00 0.00 52.55 51.29 3a3i s ASP 58 Cb -0.03 1.58 0.03 0.00 -1.46 0.00 0.00 42.92 43.04 3a3i s ASP 58 CO 0.01 -0.13 -0.09 -0.47 0.52 0.00 0.00 175.17 175.01 3a3i s TYR 59 N 1.78 1.81 -1.07 -5.34 5.04 -0.31 -4.71 117.35 114.55 3a3i s TYR 59 Ca 0.17 -1.02 -0.00 0.00 -2.44 0.00 0.00 57.07 53.77 3a3i s TYR 59 Cb -0.02 -1.39 0.00 0.00 0.35 0.00 0.00 41.96 40.90 3a3i s TYR 59 CO -0.09 -0.60 0.02 0.09 -1.34 0.00 0.00 175.55 173.63 3a3i n ASN 60 N 4.86 -3.93 0.28 4.32 3.02 -1.26 -0.27 115.26 122.28 3a3i n ASN 60 Ca -0.14 0.17 0.18 0.00 -0.03 0.00 0.00 54.58 54.77 3a3i n ASN 60 Cb 0.49 -3.34 0.86 0.00 -0.61 0.00 0.00 39.78 37.19 3a3i n ASN 60 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3a3i h GLY 61 N -0.04 0.00 -1.59 7.41 0.00 -1.84 -2.14 103.07 104.87 3a3i h GLY 61 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3a3i h GLY 61 CO 0.35 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.33 3a3i n SER 62 N -2.94 2.80 -4.71 0.19 7.64 -1.26 -1.60 113.62 113.73 3a3i n SER 62 Ca -0.01 -1.82 -0.41 0.00 1.01 0.00 0.00 58.87 57.65 3a3i n SER 62 Cb 0.19 -0.13 -0.04 0.00 -1.01 0.00 0.00 64.21 63.22 3a3i n SER 62 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3a3i s THR 63 N -1.27 4.98 0.18 0.44 2.01 -0.81 -4.81 115.64 116.37 3a3i s THR 63 Ca 0.26 1.68 -0.31 0.00 0.31 0.00 0.00 61.69 63.63 3a3i s THR 63 Cb 0.16 -4.15 -0.10 0.00 0.01 0.00 0.00 72.50 68.42 3a3i s THR 63 CO 0.22 0.22 1.52 -0.36 -0.69 0.00 0.00 174.62 175.53 3a3i s PHE 64 N 0.89 3.06 0.30 4.92 0.08 -1.26 -4.10 117.98 121.86 3a3i s PHE 64 Ca 0.43 0.76 0.05 0.00 0.12 0.00 0.00 56.93 58.28 3a3i s PHE 64 Cb -0.19 -3.88 -0.03 0.00 -0.57 0.00 0.00 43.02 38.34 3a3i s PHE 64 CO 0.22 -3.15 0.22 -1.64 -0.10 0.00 0.00 175.22 170.77 3a3i s MET 65 N 0.74 1.60 -0.36 0.44 -1.94 -0.17 -4.75 119.30 114.86 3a3i s MET 65 Ca 0.67 -1.91 -0.26 0.00 -1.71 0.00 0.00 55.69 52.47 3a3i s MET 65 Cb -0.43 0.23 0.02 0.00 2.01 0.00 0.00 34.83 36.66 3a3i s MET 65 CO 0.34 -0.55 0.96 -0.51 -0.01 0.00 0.00 175.02 175.25 3a3i s LEU 66 N -3.33 3.97 0.42 -0.03 1.43 -1.26 -1.21 118.68 118.66 3a3i s LEU 66 Ca 0.39 0.66 0.25 0.00 -1.03 0.00 0.00 54.13 54.40 3a3i s LEU 66 Cb 0.04 -3.32 0.55 0.00 0.03 0.00 0.00 46.19 43.48 3a3i s LEU 66 CO 0.22 -0.88 1.68 1.55 0.23 0.00 0.00 176.35 179.15 3a3i h PRO 67 N 8.45 0.00 0.00 1.29 0.13 -1.86 -3.46 132.00 136.54 3a3i h PRO 67 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3a3i h PRO 67 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3a3i h PRO 67 CO 1.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.77 3a3i n ALA 68 N -2.05 0.00 0.84 -0.56 0.00 -1.25 -1.88 120.51 115.62 3a3i n ALA 68 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.55 3a3i n ALA 68 Cb 0.48 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.35 3a3i n ALA 68 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3a3i n SER 69 N -0.86 0.00 0.28 0.00 7.64 -1.24 -1.09 113.62 118.36 3a3i n SER 69 Ca 0.00 -0.19 0.19 0.00 1.01 0.00 0.00 58.87 59.88 3a3i n SER 69 Cb 0.00 -0.16 0.89 0.00 -1.01 0.00 0.00 64.21 63.94 3a3i n SER 69 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3a3i h THR 70 N 0.00 0.00 -0.24 0.44 1.35 -1.41 -1.96 112.91 111.09 3a3i h THR 70 Ca 0.00 -0.23 0.07 0.00 -0.55 0.00 0.00 66.41 65.70 3a3i h THR 70 Cb 0.08 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 3a3i h THR 70 CO 0.00 0.00 0.24 -0.61 -0.25 0.00 0.00 175.52 174.90 3a3i h GLN 71 N 0.00 0.00 0.00 4.72 5.75 -1.23 -1.27 115.11 123.07 3a3i h GLN 71 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3a3i h GLN 71 Cb 0.24 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.79 3a3i h GLN 71 CO 0.00 0.00 0.00 0.87 -2.65 0.00 0.00 178.83 177.05 3a3i h LYS 72 N 0.00 0.00 -0.95 1.69 1.57 -1.39 -0.98 116.57 116.51 3a3i h LYS 72 Ca 0.11 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 3a3i h LYS 72 Cb 0.60 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 3a3i h LYS 72 CO -0.00 0.00 0.61 0.28 -0.57 0.00 0.00 179.45 179.77 3a3i h VAL 73 N 0.00 1.05 -0.69 0.50 2.07 -1.44 -0.51 116.25 117.23 3a3i h VAL 73 Ca 0.00 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 3a3i h VAL 73 Cb 0.15 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.79 3a3i h VAL 73 CO 0.00 0.19 0.19 -0.26 0.02 0.00 0.00 177.57 177.71 3a3i h PHE 74 N 1.06 1.14 -0.26 1.57 0.04 -1.38 -2.79 116.94 116.32 3a3i h PHE 74 Ca 0.42 -0.13 -0.17 0.00 2.80 0.00 0.00 57.97 60.89 3a3i h PHE 74 Cb 0.24 -0.32 -0.00 0.00 2.20 0.00 0.00 35.95 38.06 3a3i h PHE 74 CO -0.00 0.92 -0.52 1.15 -0.60 0.00 0.00 178.31 179.26 3a3i h THR 75 N 1.02 1.29 -0.55 -1.55 2.02 -1.47 -0.77 112.91 112.91 3a3i h THR 75 Ca 0.22 -1.72 0.02 0.00 0.77 0.00 0.00 66.41 65.69 3a3i h THR 75 Cb 0.34 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 3a3i h THR 75 CO -0.00 0.55 0.35 0.00 0.37 0.00 0.00 175.52 176.79 3a3i h ALA 76 N 0.84 0.70 -0.16 6.16 0.00 -0.92 0.33 119.26 126.22 3a3i h ALA 76 Ca 0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3a3i h ALA 76 Cb 1.09 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3a3i h ALA 76 CO 0.11 0.09 -0.13 0.28 0.00 0.00 0.00 179.25 179.60 3a3i h VAL 77 N 0.70 1.33 -0.45 0.00 2.07 -1.30 -1.46 116.25 117.15 3a3i h VAL 77 Ca 0.21 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 3a3i h VAL 77 Cb -0.03 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3a3i h VAL 77 CO -0.07 0.37 0.14 0.00 0.02 0.00 0.00 177.57 178.03 3a3i h ALA 78 N 0.64 1.42 -0.18 1.67 0.00 -0.95 -2.12 119.26 119.74 3a3i h ALA 78 Ca 0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3a3i h ALA 78 Cb 0.65 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3a3i h ALA 78 CO 0.03 0.43 -0.13 0.00 0.00 0.00 0.00 179.25 179.59 3a3i h ALA 79 N 1.52 0.26 -0.64 0.00 0.00 -0.80 -0.01 119.26 119.59 3a3i h ALA 79 Ca 0.15 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.85 3a3i h ALA 79 Cb 0.19 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 3a3i h ALA 79 CO -0.01 0.12 0.24 0.87 0.00 0.00 0.00 179.25 180.48 3a3i h LYS 80 N 0.07 0.41 -0.05 0.00 1.79 -1.06 0.14 116.57 117.88 3a3i h LYS 80 Ca 0.03 -0.02 -0.17 0.00 -2.18 0.00 0.00 60.65 58.31 3a3i h LYS 80 Cb 0.64 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 31.21 3a3i h LYS 80 CO 0.04 0.27 -0.65 -0.07 -1.08 0.00 0.00 179.45 177.96 3a3i h LEU 81 N 0.42 0.65 0.00 2.94 3.38 -1.13 -2.81 115.31 118.77 3a3i h LEU 81 Ca 0.32 -0.71 -0.23 0.00 0.09 0.00 0.00 57.88 57.36 3a3i h LEU 81 Cb 0.41 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3a3i h LEU 81 CO -0.32 1.26 -1.97 0.00 0.09 0.00 0.00 178.44 177.50 3a3i n ALA 82 N -2.58 1.89 -0.13 1.53 0.00 -0.04 -4.64 120.51 116.53 3a3i n ALA 82 Ca -0.09 -0.89 -0.23 0.00 0.00 0.00 0.00 53.44 52.22 3a3i n ALA 82 Cb 0.69 -0.58 -0.11 0.00 0.00 0.00 0.00 19.45 19.45 3a3i n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a3i n LEU 83 N -2.72 2.48 0.00 0.00 4.77 0.43 -4.90 117.00 117.06 3a3i n LEU 83 Ca -0.19 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3a3i n LEU 83 Cb 0.94 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3a3i n LEU 83 CO 0.44 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 3a3i n GLY 84 N 1.85 -0.59 0.17 -0.72 0.00 -0.83 -4.10 105.19 100.96 3a3i n GLY 84 Ca -0.48 -1.67 0.13 0.00 0.00 0.00 0.00 46.02 44.00 3a3i n GLY 84 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3a3i h ASP 85 N 0.00 0.00 0.24 1.61 3.32 -1.91 -1.55 116.42 118.14 3a3i h ASP 85 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a3i h ASP 85 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3a3i h ASP 85 CO 0.00 0.00 -0.25 0.00 -1.72 0.00 0.00 179.24 177.27 3a3i n GLN 86 N -2.48 0.83 -1.80 3.56 3.00 -1.26 -3.79 117.38 115.45 3a3i n GLN 86 Ca 0.02 -0.48 -0.42 0.00 -0.01 0.00 0.00 57.00 56.11 3a3i n GLN 86 Cb 0.28 -1.49 -0.02 0.00 0.00 0.00 0.00 30.24 29.01 3a3i n GLN 86 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 3a3i s PHE 87 N -2.50 2.84 0.02 1.08 5.36 -0.58 -4.82 117.98 119.37 3a3i s PHE 87 Ca 0.25 0.68 0.02 0.00 -0.96 0.00 0.00 56.93 56.91 3a3i s PHE 87 Cb 0.19 -4.06 -0.01 0.00 -0.34 0.00 0.00 43.02 38.80 3a3i s PHE 87 CO 0.52 -3.69 -0.07 -0.65 -1.46 0.00 0.00 175.22 169.86 3a3i s GLN 88 N 0.06 0.49 0.32 10.12 -0.21 -1.26 -1.25 119.66 127.93 3a3i s GLN 88 Ca 0.66 -0.48 -0.28 0.00 0.02 0.00 0.00 55.36 55.28 3a3i s GLN 88 Cb -0.48 -0.36 -0.10 0.00 1.00 0.00 0.00 33.01 33.08 3a3i s GLN 88 CO 0.42 0.08 1.17 -0.06 -2.12 0.00 0.00 175.29 174.79 3a3i s PHE 89 N -0.76 3.30 -0.14 0.91 0.08 -1.26 -4.82 117.98 115.30 3a3i s PHE 89 Ca -0.04 1.58 -0.02 0.00 0.12 0.00 0.00 56.93 58.58 3a3i s PHE 89 Cb -0.06 -3.42 -0.02 0.00 -0.57 0.00 0.00 43.02 38.95 3a3i s PHE 89 CO 0.00 -1.11 -0.08 -1.21 -0.10 0.00 0.00 175.22 172.72 3a3i s GLU 90 N -1.77 3.47 -0.14 0.44 2.02 -1.26 -1.00 118.70 120.47 3a3i s GLU 90 Ca 0.49 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.89 3a3i s GLU 90 Cb -0.34 -2.76 0.02 0.00 0.10 0.00 0.00 34.13 31.15 3a3i s GLU 90 CO 0.44 0.26 -0.17 0.99 0.02 0.00 0.00 175.26 176.80 3a3i s THR 91 N 0.26 1.76 0.09 3.63 2.01 -0.72 -3.48 115.64 119.20 3a3i s THR 91 Ca -0.06 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.19 3a3i s THR 91 Cb -0.15 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 3a3i s THR 91 CO 0.04 0.49 -0.07 0.00 -0.69 0.00 0.00 174.62 174.39 3a3i s ALA 92 N 1.18 0.92 -0.10 7.40 0.00 -0.28 -0.73 121.76 130.15 3a3i s ALA 92 Ca -0.00 -1.23 0.03 0.00 0.00 0.00 0.00 51.96 50.76 3a3i s ALA 92 Cb -0.14 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 3a3i s ALA 92 CO -0.07 -0.18 -0.20 -0.51 0.00 0.00 0.00 175.76 174.81 3a3i s LEU 93 N -2.72 2.35 0.05 0.00 1.43 -0.20 -0.29 118.68 119.30 3a3i s LEU 93 Ca 0.07 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 3a3i s LEU 93 Cb 0.02 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 3a3i s LEU 93 CO -0.03 0.19 -0.02 -0.76 0.23 0.00 0.00 176.35 175.95 3a3i s LEU 94 N 0.20 2.45 0.11 1.79 1.02 0.30 -0.10 118.68 124.45 3a3i s LEU 94 Ca -0.12 -0.97 -0.14 0.00 0.02 0.00 0.00 54.13 52.92 3a3i s LEU 94 Cb -0.16 0.22 0.03 0.00 0.02 0.00 0.00 46.19 46.29 3a3i s LEU 94 CO 0.07 -0.59 0.34 -0.55 0.02 0.00 0.00 176.35 175.64 3a3i s SER 95 N -2.86 -0.14 -0.06 2.29 0.15 -0.75 -0.44 113.70 111.88 3a3i s SER 95 Ca 0.06 -0.37 0.21 0.00 0.70 0.00 0.00 55.95 56.55 3a3i s SER 95 Cb 0.07 0.43 -0.32 0.00 -1.71 0.00 0.00 66.02 64.49 3a3i s SER 95 CO -0.10 -0.80 0.41 0.59 1.20 0.00 0.00 173.24 174.54 3a3i n ASN 96 N -0.09 0.03 -4.25 5.45 3.02 -1.26 0.27 115.26 118.44 3a3i n ASN 96 Ca -0.16 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.10 3a3i n ASN 96 Cb 0.63 1.82 0.24 0.00 -0.61 0.00 0.00 39.78 41.86 3a3i n ASN 96 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3a3i s GLY 97 N -4.67 1.53 0.26 7.41 0.00 -1.25 -4.95 107.32 105.64 3a3i s GLY 97 Ca -0.08 -0.46 0.07 0.00 0.00 0.00 0.00 44.72 44.24 3a3i s GLY 97 CO 0.89 0.32 0.25 0.54 0.00 0.00 0.00 173.10 175.09 3a3i s LYS 98 N -4.84 3.02 -0.25 2.90 -0.14 -1.26 -4.77 119.74 114.39 3a3i s LYS 98 Ca 0.68 -1.02 -0.20 0.00 -1.36 0.00 0.00 55.97 54.08 3a3i s LYS 98 Cb -0.19 -2.63 -0.02 0.00 -1.68 0.00 0.00 37.83 33.31 3a3i s LYS 98 CO 0.60 0.37 0.60 0.42 -0.76 0.00 0.00 175.35 176.58 3a3i s ILE 99 N -2.12 5.01 -0.02 2.17 1.01 -1.26 -0.90 121.20 125.09 3a3i s ILE 99 Ca 0.34 1.07 0.01 0.00 0.00 0.00 0.00 60.65 62.08 3a3i s ILE 99 Cb -0.08 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.49 3a3i s ILE 99 CO 0.26 0.05 -0.03 0.00 0.00 0.00 0.00 174.94 175.21 3a3i s GLN 100 N 2.43 0.44 -1.51 2.79 -2.07 0.79 -4.89 119.66 117.64 3a3i s GLN 100 Ca 0.25 -0.08 -0.08 0.00 -1.82 0.00 0.00 55.36 53.63 3a3i s GLN 100 Cb -0.16 -0.48 0.06 0.00 -1.09 0.00 0.00 33.01 31.35 3a3i s GLN 100 CO 0.09 -0.00 0.66 0.09 -1.32 0.00 0.00 175.29 174.81 3a3i n ASN 101 N 3.50 -2.12 0.00 12.60 4.13 -1.26 -0.73 115.26 131.38 3a3i n ASN 101 Ca -0.19 -0.94 0.00 0.00 1.68 0.00 0.00 54.58 55.12 3a3i n ASN 101 Cb 0.55 -3.24 0.00 0.00 -1.54 0.00 0.00 39.78 35.55 3a3i n ASN 101 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3a3i n GLY 102 N -1.72 0.78 3.42 7.41 0.00 -1.26 -4.98 105.19 108.84 3a3i n GLY 102 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 3a3i n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a3i s ASN 103 N -2.56 4.28 -0.41 1.61 0.01 0.09 0.87 114.94 118.83 3a3i s ASN 103 Ca 0.00 -0.25 -0.25 0.00 -0.71 0.00 0.00 52.86 51.65 3a3i s ASN 103 Cb 0.00 -1.62 0.02 0.00 0.41 0.00 0.00 41.25 40.06 3a3i s ASN 103 CO 0.00 0.18 0.90 -0.22 -1.51 0.00 0.00 177.10 176.45 3a3i s LEU 104 N 0.26 4.02 -1.33 0.60 2.96 0.66 -0.15 118.68 125.71 3a3i s LEU 104 Ca -0.07 0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 54.09 3a3i s LEU 104 Cb -0.15 -3.19 0.12 0.00 0.50 0.00 0.00 46.19 43.47 3a3i s LEU 104 CO 0.05 -0.93 2.35 -0.67 -1.32 0.00 0.00 176.35 175.82 3a3i n ASP 105 N 6.91 7.77 0.00 3.68 2.03 -0.08 -1.27 116.55 135.59 3a3i n ASP 105 Ca 0.06 -3.12 0.00 0.00 0.52 0.00 0.00 54.79 52.25 3a3i n ASP 105 Cb 0.48 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 3a3i n ASP 105 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3a3i n GLY 106 N 1.89 -0.58 3.83 0.27 0.00 -1.26 -3.84 105.19 105.50 3a3i n GLY 106 Ca 0.61 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 3a3i n GLY 106 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a3i s ASN 107 N -4.00 6.90 -0.31 1.61 0.01 -1.26 -1.78 114.94 116.11 3a3i s ASN 107 Ca 0.00 1.41 -0.17 0.00 -0.71 0.00 0.00 52.86 53.40 3a3i s ASN 107 Cb 0.00 -2.42 -0.02 0.00 0.41 0.00 0.00 41.25 39.22 3a3i s ASN 107 CO 0.00 -0.17 0.45 -0.22 -1.51 0.00 0.00 177.10 175.65 3a3i s LEU 108 N -2.74 4.21 -0.23 0.60 2.96 -0.52 -4.16 118.68 118.79 3a3i s LEU 108 Ca 0.53 0.14 -0.10 0.00 -0.22 0.00 0.00 54.13 54.48 3a3i s LEU 108 Cb -0.12 -2.52 -0.05 0.00 0.50 0.00 0.00 46.19 44.00 3a3i s LEU 108 CO 0.18 -0.33 0.15 -0.63 -1.32 0.00 0.00 176.35 174.39 3a3i s ILE 109 N 2.23 5.38 -0.24 6.68 1.01 0.41 -0.78 121.20 135.89 3a3i s ILE 109 Ca 0.17 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.99 3a3i s ILE 109 Cb -0.16 -3.49 0.02 0.00 0.01 0.00 0.00 42.46 38.84 3a3i s ILE 109 CO 0.11 0.38 -0.07 -0.69 0.00 0.00 0.00 174.94 174.67 3a3i s VAL 110 N 0.82 2.91 -0.29 2.92 1.01 -0.00 -0.54 120.40 127.24 3a3i s VAL 110 Ca 0.08 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 3a3i s VAL 110 Cb -0.13 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3a3i s VAL 110 CO 0.02 0.28 0.26 -0.55 0.00 0.00 0.00 175.10 175.12 3a3i s SER 111 N 1.36 6.10 -0.08 3.32 0.15 0.60 -1.20 113.70 123.95 3a3i s SER 111 Ca 0.02 -0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.66 3a3i s SER 111 Cb -0.16 -2.15 -0.02 0.00 -1.71 0.00 0.00 66.02 61.98 3a3i s SER 111 CO -0.05 -0.15 -0.13 -0.36 1.20 0.00 0.00 173.24 173.76 3a3i s PHE 112 N 1.86 2.78 -0.08 3.44 0.08 -0.50 -1.13 117.98 124.43 3a3i s PHE 112 Ca 0.09 -0.29 0.11 0.00 0.12 0.00 0.00 56.93 56.97 3a3i s PHE 112 Cb -0.16 -1.72 0.17 0.00 -0.57 0.00 0.00 43.02 40.74 3a3i s PHE 112 CO 0.11 0.08 1.07 0.25 -0.10 0.00 0.00 175.22 176.62 3a3i n THR 113 N 2.71 1.36 0.00 0.64 -2.24 -1.23 -4.46 114.28 111.07 3a3i n THR 113 Ca -0.18 -1.58 0.00 0.00 -2.27 0.00 0.00 64.05 60.02 3a3i n THR 113 Cb 0.52 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 3a3i n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a3i n GLY 114 N -0.97 0.76 3.51 3.38 0.00 0.03 -4.90 105.19 106.99 3a3i n GLY 114 Ca 0.10 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.54 3a3i n GLY 114 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3a3i n ASP 115 N 0.00 1.67 -0.94 1.61 -0.08 -1.26 -4.81 116.55 112.75 3a3i n ASP 115 Ca 0.00 0.79 0.07 0.00 -1.51 0.00 0.00 54.79 54.14 3a3i n ASP 115 Cb 0.00 -1.07 0.21 0.00 2.34 0.00 0.00 41.12 42.61 3a3i n ASP 115 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3a3i n PRO 116 N 6.60 2.30 -1.94 -0.67 -0.04 -1.26 -3.86 135.00 136.13 3a3i n PRO 116 Ca 0.40 -1.71 0.02 0.00 -0.04 0.00 0.00 63.50 62.17 3a3i n PRO 116 Cb 0.08 -1.46 0.03 0.00 -0.04 0.00 0.00 33.50 32.11 3a3i n PRO 116 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3a3i n ASP 117 N 0.78 1.14 -4.67 3.54 2.03 -1.26 -4.70 116.55 113.41 3a3i n ASP 117 Ca 0.16 -2.01 -0.39 0.00 0.52 0.00 0.00 54.79 53.07 3a3i n ASP 117 Cb 0.46 -0.34 -0.06 0.00 -0.72 0.00 0.00 41.12 40.46 3a3i n ASP 117 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3a3i s LEU 118 N -1.28 4.17 0.30 -2.67 2.96 -1.25 -4.98 118.68 115.93 3a3i s LEU 118 Ca 0.31 0.74 0.06 0.00 -0.22 0.00 0.00 54.13 55.02 3a3i s LEU 118 Cb 0.36 -2.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.28 3a3i s LEU 118 CO -0.12 -0.17 0.36 0.42 -1.32 0.00 0.00 176.35 175.51 3a3i s THR 119 N 1.51 4.31 0.32 3.68 -4.23 -1.26 -0.79 115.64 119.19 3a3i s THR 119 Ca 0.25 -1.15 0.15 0.00 -1.18 0.00 0.00 61.69 59.77 3a3i s THR 119 Cb -0.15 -3.47 0.10 0.00 1.34 0.00 0.00 72.50 70.32 3a3i s THR 119 CO 0.10 -0.24 1.81 0.08 -0.54 0.00 0.00 174.62 175.83 3a3i h ARG 120 N 1.15 0.00 -0.65 3.99 0.11 -1.96 -1.36 114.38 115.66 3a3i h ARG 120 Ca -0.48 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.57 3a3i h ARG 120 Cb 1.25 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.30 3a3i h ARG 120 CO 0.57 0.38 0.25 0.78 0.10 0.00 0.00 179.97 182.06 3a3i h GLY 121 N 1.37 1.03 1.09 0.08 0.00 -1.99 -0.65 103.07 104.01 3a3i h GLY 121 Ca -0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 47.33 46.68 3a3i h GLY 121 CO 0.05 0.51 -0.06 1.46 0.00 0.00 0.00 176.54 178.50 3a3i h GLN 122 N 0.94 1.06 -0.56 4.80 4.20 -1.86 -1.13 115.11 122.56 3a3i h GLN 122 Ca 0.22 -0.37 -0.09 0.00 0.06 0.00 0.00 58.65 58.47 3a3i h GLN 122 Cb 0.19 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3a3i h GLN 122 CO -0.02 1.07 -0.02 1.25 -0.67 0.00 0.00 178.83 180.44 3a3i h LEU 123 N 0.95 0.96 -0.57 1.46 5.85 -1.07 -1.18 115.31 121.72 3a3i h LEU 123 Ca 0.16 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3a3i h LEU 123 Cb 0.63 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3a3i h LEU 123 CO 0.04 1.03 0.37 0.22 -0.34 0.00 0.00 178.44 179.76 3a3i h TYR 124 N 0.90 0.72 -0.05 1.25 3.20 -0.96 -1.33 116.97 120.70 3a3i h TYR 124 Ca 0.16 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.94 3a3i h TYR 124 Cb 0.55 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 3a3i h TYR 124 CO 0.04 0.46 -0.45 0.77 -1.64 0.00 0.00 178.16 177.34 3a3i h SER 125 N 0.77 0.11 -0.04 -2.11 0.02 -1.04 -0.05 113.55 111.21 3a3i h SER 125 Ca 0.21 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3a3i h SER 125 Cb -0.07 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 3a3i h SER 125 CO -0.04 0.55 0.01 0.25 -1.14 0.00 0.00 176.83 176.46 3a3i h LEU 126 N 0.09 0.06 -1.34 5.07 5.85 -0.80 -3.14 115.31 121.11 3a3i h LEU 126 Ca 0.00 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3a3i h LEU 126 Cb 0.83 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 3a3i h LEU 126 CO 0.06 0.27 0.28 -0.07 -0.34 0.00 0.00 178.44 178.64 3a3i h LEU 127 N -0.15 0.65 -1.68 2.25 3.38 -1.04 -2.28 115.31 116.45 3a3i h LEU 127 Ca 0.01 -0.05 0.21 0.00 0.09 0.00 0.00 57.88 58.14 3a3i h LEU 127 Cb 0.23 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3a3i h LEU 127 CO 0.00 0.54 0.58 0.00 0.09 0.00 0.00 178.44 179.64 3a3i h ALA 128 N 1.57 2.37 -0.19 1.53 0.00 -0.96 -0.23 119.26 123.35 3a3i h ALA 128 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.16 3a3i h ALA 128 Cb 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3a3i h ALA 128 CO -0.03 -0.63 0.14 1.49 0.00 0.00 0.00 179.25 180.23 3a3i h GLU 129 N 0.27 0.00 -0.88 0.00 4.57 -1.39 0.50 114.58 117.65 3a3i h GLU 129 Ca 0.43 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.64 3a3i h GLU 129 Cb 1.24 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.78 3a3i h GLU 129 CO -0.11 0.00 0.57 -0.07 -1.18 0.00 0.00 179.01 178.22 3a3i h LEU 130 N 0.00 0.96 -0.61 1.64 3.38 -1.18 -1.41 115.31 118.10 3a3i h LEU 130 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3a3i h LEU 130 Cb 0.38 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3a3i h LEU 130 CO -0.00 0.67 0.00 0.50 0.09 0.00 0.00 178.44 179.70 3a3i h LYS 131 N 1.13 0.00 0.00 1.13 3.64 -1.03 -0.93 116.57 120.51 3a3i h LYS 131 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3a3i h LYS 131 Cb -0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3a3i h LYS 131 CO -0.11 0.00 -0.35 0.87 -2.27 0.00 0.00 179.45 177.59 3a3i h LYS 132 N 0.00 0.00 -0.61 1.90 1.57 -1.05 -2.98 116.57 115.40 3a3i h LYS 132 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3a3i h LYS 132 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3a3i h LYS 132 CO 0.00 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.92 3a3i n GLN 133 N -2.41 2.92 -0.82 3.15 6.02 -0.47 -4.90 117.38 120.87 3a3i n GLN 133 Ca 0.04 -1.99 0.00 0.00 -0.01 0.00 0.00 57.00 55.03 3a3i n GLN 133 Cb 0.47 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 30.02 3a3i n GLN 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a3i n GLY 134 N 0.87 0.86 3.70 1.08 0.00 -1.13 -5.02 105.19 105.55 3a3i n GLY 134 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3a3i n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a3i s ILE 135 N -3.37 4.23 0.00 -0.61 1.01 -0.55 -4.16 121.20 117.75 3a3i s ILE 135 Ca 0.00 1.57 0.00 0.00 0.00 0.00 0.00 60.65 62.22 3a3i s ILE 135 Cb 0.00 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.46 3a3i s ILE 135 CO 0.00 0.04 0.40 2.29 0.00 0.00 0.00 174.94 177.67 3a3i n LYS 136 N 4.80 -0.18 -3.79 2.79 -0.00 0.25 -4.19 118.16 117.83 3a3i n LYS 136 Ca 0.10 -0.46 -0.13 0.00 -0.00 0.00 0.00 58.31 57.82 3a3i n LYS 136 Cb 0.46 -0.82 -0.11 0.00 -0.00 0.00 0.00 35.03 34.57 3a3i n LYS 136 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3a3i s LYS 137 N -0.11 0.36 -0.19 -1.58 2.20 -0.75 -1.46 119.74 118.21 3a3i s LYS 137 Ca 0.00 0.24 -0.03 0.00 -0.36 0.00 0.00 55.97 55.81 3a3i s LYS 137 Cb 0.00 0.17 -0.02 0.00 -1.51 0.00 0.00 37.83 36.47 3a3i s LYS 137 CO 0.00 -0.06 -0.05 0.42 -0.36 0.00 0.00 175.35 175.30 3a3i s ILE 138 N -0.15 3.49 -0.31 5.43 1.01 0.04 -0.25 121.20 130.47 3a3i s ILE 138 Ca -0.03 -0.47 0.22 0.00 0.00 0.00 0.00 60.65 60.37 3a3i s ILE 138 Cb -0.03 -2.55 0.12 0.00 0.01 0.00 0.00 42.46 40.02 3a3i s ILE 138 CO 0.01 0.46 1.26 0.78 0.00 0.00 0.00 174.94 177.45 3a3i h ASN 139 N 7.45 0.00 0.00 3.58 2.35 -1.33 -3.40 115.58 124.23 3a3i h ASN 139 Ca -0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 3a3i h ASN 139 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 3a3i h ASN 139 CO 0.60 0.03 0.00 0.61 -1.65 0.00 0.00 177.43 177.02 3a3i n GLY 140 N 1.16 3.17 3.98 2.83 0.00 -0.73 -4.86 105.19 110.73 3a3i n GLY 140 Ca 0.01 -1.27 -0.19 0.00 0.00 0.00 0.00 46.02 44.57 3a3i n GLY 140 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a3i s ASP 141 N 0.11 5.97 -0.25 1.61 1.01 -1.26 -3.56 116.67 120.30 3a3i s ASP 141 Ca 0.00 -0.17 -0.10 0.00 0.71 0.00 0.00 52.55 52.99 3a3i s ASP 141 Cb 0.00 -1.31 -0.05 0.00 1.01 0.00 0.00 42.92 42.58 3a3i s ASP 141 CO 0.00 -0.37 0.16 -0.22 0.21 0.00 0.00 175.17 174.95 3a3i s LEU 142 N -4.13 4.02 -0.20 1.23 2.96 0.07 -1.44 118.68 121.19 3a3i s LEU 142 Ca 0.43 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 3a3i s LEU 142 Cb -0.09 -2.09 0.04 0.00 0.50 0.00 0.00 46.19 44.55 3a3i s LEU 142 CO 0.30 0.03 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.54 3a3i s VAL 143 N 1.26 1.82 -0.03 1.68 1.01 0.04 -0.03 120.40 126.14 3a3i s VAL 143 Ca 0.07 -1.04 -0.21 0.00 0.00 0.00 0.00 61.98 60.80 3a3i s VAL 143 Cb -0.14 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 3a3i s VAL 143 CO 0.06 0.27 0.61 -0.76 0.00 0.00 0.00 175.10 175.29 3a3i s LEU 144 N 1.33 4.37 -0.35 3.92 1.43 -0.90 -0.82 118.68 127.66 3a3i s LEU 144 Ca -0.00 1.13 -0.04 0.00 -1.03 0.00 0.00 54.13 54.19 3a3i s LEU 144 Cb -0.16 -2.95 0.07 0.00 0.03 0.00 0.00 46.19 43.18 3a3i s LEU 144 CO -0.09 0.02 0.11 -0.62 0.23 0.00 0.00 176.35 176.00 3a3i s ASP 145 N 0.20 5.18 -0.22 2.29 -1.08 -0.34 -4.32 116.67 118.38 3a3i s ASP 145 Ca 0.32 -1.45 0.13 0.00 -0.52 0.00 0.00 52.55 51.03 3a3i s ASP 145 Cb -0.18 -1.81 0.45 0.00 -1.46 0.00 0.00 42.92 39.92 3a3i s ASP 145 CO 0.17 -0.38 1.34 0.35 0.52 0.00 0.00 175.17 177.17 3a3i n THR 146 N 4.70 2.30 0.31 1.71 -2.24 -1.26 -1.41 114.28 118.39 3a3i n THR 146 Ca -0.10 -2.61 0.14 0.00 -2.27 0.00 0.00 64.05 59.21 3a3i n THR 146 Cb 0.43 -0.27 0.66 0.00 -2.10 0.00 0.00 70.33 69.04 3a3i n THR 146 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3a3i h SER 147 N 0.96 0.00 0.47 3.42 4.64 -1.85 -3.06 113.55 118.13 3a3i h SER 147 Ca 0.09 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 3a3i h SER 147 Cb 1.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3a3i h SER 147 CO 0.20 0.00 -0.07 -0.37 -0.87 0.00 0.00 176.83 175.71 3a3i h VAL 148 N 0.00 0.33 -3.67 0.95 -1.51 -1.89 -3.41 116.25 107.04 3a3i h VAL 148 Ca 0.00 -0.45 -0.67 0.00 -1.23 0.00 0.00 66.70 64.35 3a3i h VAL 148 Cb 0.27 1.34 -0.18 0.00 -2.13 0.00 0.00 31.29 30.59 3a3i h VAL 148 CO 0.00 0.07 -0.77 -0.36 -1.23 0.00 0.00 177.57 175.29 3a3i s PHE 149 N -4.04 2.66 0.21 5.19 0.08 -1.16 -0.88 117.98 120.03 3a3i s PHE 149 Ca -0.02 -0.20 -0.03 0.00 0.12 0.00 0.00 56.93 56.79 3a3i s PHE 149 Cb 0.12 -1.42 -0.03 0.00 -0.57 0.00 0.00 43.02 41.12 3a3i s PHE 149 CO 0.54 0.39 0.20 -1.54 -0.10 0.00 0.00 175.22 174.71 3a3i s SER 150 N -2.05 0.10 0.87 1.36 1.04 -0.09 -4.68 113.70 110.26 3a3i s SER 150 Ca 0.19 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.33 3a3i s SER 150 Cb -0.11 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.43 3a3i s SER 150 CO 0.11 -0.90 0.00 -0.24 0.98 0.00 0.00 173.24 173.19 3a3i n SER 151 N -0.29 -1.89 -4.79 7.02 2.88 -1.26 -3.82 113.62 111.47 3a3i n SER 151 Ca 0.01 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.23 3a3i n SER 151 Cb 0.65 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.16 3a3i n SER 151 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3a3i s HIS 152 N 0.00 2.78 -0.91 0.66 3.76 -1.26 -4.92 115.29 115.39 3a3i s HIS 152 Ca 0.00 1.52 0.07 0.00 -0.15 0.00 0.00 55.06 56.50 3a3i s HIS 152 Cb 0.00 -3.05 0.35 0.00 1.11 0.00 0.00 32.58 30.99 3a3i s HIS 152 CO 0.00 -1.51 1.09 -0.25 -0.85 0.00 0.00 174.74 173.22 3a3i n ASP 153 N -2.76 2.87 -4.15 1.40 8.00 -1.26 -4.66 116.55 115.99 3a3i n ASP 153 Ca 0.09 -2.34 -0.21 0.00 0.71 0.00 0.00 54.79 53.04 3a3i n ASP 153 Cb 0.53 -0.52 -0.14 0.00 -0.02 0.00 0.00 41.12 40.97 3a3i n ASP 153 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3a3i s ARG 154 N -1.75 1.02 0.52 -1.24 0.52 -1.26 -3.73 118.95 113.04 3a3i s ARG 154 Ca 0.24 -0.73 -0.20 0.00 -0.52 0.00 0.00 55.73 54.53 3a3i s ARG 154 Cb 0.17 -1.03 -0.07 0.00 0.52 0.00 0.00 34.95 34.54 3a3i s ARG 154 CO 0.09 0.26 1.09 0.20 0.02 0.00 0.00 175.30 176.95 3a3i s GLY 155 N -0.99 2.55 0.29 -3.53 0.00 -1.26 -4.95 107.32 99.42 3a3i s GLY 155 Ca 0.03 0.70 -0.29 0.00 0.00 0.00 0.00 44.72 45.16 3a3i s GLY 155 CO 0.01 1.04 1.12 1.08 0.00 0.00 0.00 173.10 176.35 3a3i s LEU 156 N -3.72 4.54 0.00 0.66 1.43 -1.26 -2.94 118.68 117.39 3a3i s LEU 156 Ca 0.70 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 56.11 3a3i s LEU 156 Cb -0.20 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.39 3a3i s LEU 156 CO 0.25 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.25 3a3i n GLY 157 N 1.15 0.71 3.78 -3.19 0.00 -1.26 -4.63 105.19 101.74 3a3i n GLY 157 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3a3i n GLY 157 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3a3i s TRP 158 N -2.78 2.69 0.02 1.61 0.52 -1.15 -0.84 118.94 119.01 3a3i s TRP 158 Ca 0.00 1.55 -0.19 0.00 0.02 0.00 0.00 56.10 57.47 3a3i s TRP 158 Cb 0.00 -3.24 -0.06 0.00 -1.15 0.00 0.00 33.47 29.02 3a3i s TRP 158 CO 0.00 -1.53 0.56 0.42 0.02 0.00 0.00 176.95 176.42 3a3i s ILE 159 N -1.91 4.88 0.21 2.03 1.01 -1.26 -4.95 121.20 121.21 3a3i s ILE 159 Ca 0.71 1.18 -0.01 0.00 0.00 0.00 0.00 60.65 62.53 3a3i s ILE 159 Cb -0.22 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 3a3i s ILE 159 CO 0.29 0.48 1.55 4.11 0.00 0.00 0.00 174.94 181.37 3a3i h TRP 160 N 5.23 0.61 0.00 3.97 5.08 -2.02 -3.00 115.95 125.82 3a3i h TRP 160 Ca -0.47 -0.20 0.00 0.00 1.08 0.00 0.00 58.89 59.30 3a3i h TRP 160 Cb 1.21 -0.12 0.00 0.00 -3.00 0.00 0.00 29.16 27.24 3a3i h TRP 160 CO 0.67 0.90 0.00 0.27 -1.28 0.00 0.00 178.44 178.99 3a3i n ASN 161 N -3.98 0.17 -0.05 0.11 6.94 -1.26 -2.05 115.26 115.14 3a3i n ASN 161 Ca -0.02 0.52 0.13 0.00 -0.02 0.00 0.00 54.58 55.19 3a3i n ASN 161 Cb 0.57 -0.56 0.49 0.00 -2.36 0.00 0.00 39.78 37.91 3a3i n ASN 161 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3a3i n ASP 162 N -1.66 0.36 0.08 0.53 8.00 -1.13 -4.35 116.55 118.38 3a3i n ASP 162 Ca 0.06 -0.15 0.10 0.00 0.71 0.00 0.00 54.79 55.51 3a3i n ASP 162 Cb 0.34 -0.09 0.42 0.00 -0.02 0.00 0.00 41.12 41.77 3a3i n ASP 162 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3a3i n LEU 163 N -1.29 0.41 -0.65 0.64 4.77 -0.87 -1.19 117.00 118.83 3a3i n LEU 163 Ca 0.09 0.61 0.13 0.00 -0.03 0.00 0.00 56.01 56.81 3a3i n LEU 163 Cb 0.32 -0.56 0.31 0.00 -2.33 0.00 0.00 43.42 41.15 3a3i n LEU 163 CO 0.28 -0.48 0.71 0.35 -1.33 0.00 0.00 177.39 176.93 3a3i n THR 164 N -1.96 0.00 -3.38 -5.08 -2.24 -1.26 -4.67 114.28 95.68 3a3i n THR 164 Ca 0.02 -0.34 -0.36 0.00 -2.27 0.00 0.00 64.05 61.10 3a3i n THR 164 Cb 0.19 0.94 -0.06 0.00 -2.10 0.00 0.00 70.33 69.30 3a3i n THR 164 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3a3i s MET 165 N -2.08 4.00 0.37 -0.78 1.75 -0.33 -0.63 119.30 121.59 3a3i s MET 165 Ca 0.31 0.50 0.06 0.00 -1.25 0.00 0.00 55.69 55.32 3a3i s MET 165 Cb 0.20 -3.05 0.76 0.00 2.84 0.00 0.00 34.83 35.59 3a3i s MET 165 CO 0.36 0.55 1.98 0.00 -0.65 0.00 0.00 175.02 177.26 3a3i h PHE 167 N 0.72 0.00 -0.33 0.00 -5.15 -1.93 -1.76 116.94 108.48 3a3i h PHE 167 Ca 0.28 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.92 3a3i h PHE 167 Cb 0.20 0.00 -0.08 0.00 0.22 0.00 0.00 35.95 36.29 3a3i h PHE 167 CO -0.00 0.00 -0.03 -1.71 -2.00 0.00 0.00 178.31 174.57 3a3i n ASN 168 N -3.03 2.90 -4.74 -0.68 2.85 0.82 -4.77 115.26 108.62 3a3i n ASN 168 Ca -0.01 -3.53 -0.39 0.00 -0.11 0.00 0.00 54.58 50.53 3a3i n ASN 168 Cb 0.17 -0.61 0.04 0.00 1.24 0.00 0.00 39.78 40.61 3a3i n ASN 168 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 3a3i n SER 169 N -0.96 2.72 -4.72 1.20 7.64 -0.67 -4.85 113.62 113.98 3a3i n SER 169 Ca 0.30 1.01 -0.42 0.00 1.01 0.00 0.00 58.87 60.77 3a3i n SER 169 Cb 1.00 -1.57 -0.03 0.00 -1.01 0.00 0.00 64.21 62.60 3a3i n SER 169 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3a3i s PRO 170 N -2.75 4.38 -1.40 1.43 0.04 -1.26 -4.83 135.00 130.61 3a3i s PRO 170 Ca 0.69 1.98 -0.10 0.00 0.04 0.00 0.00 61.00 63.61 3a3i s PRO 170 Cb -0.43 -3.25 0.08 0.00 0.04 0.00 0.00 34.50 30.94 3a3i s PRO 170 CO 0.51 -0.30 2.25 -0.35 0.04 0.00 0.00 177.00 179.14 3a3i n PRO 171 N 3.40 3.55 -2.21 0.56 -0.04 -1.24 -4.91 135.00 134.10 3a3i n PRO 171 Ca 0.09 -3.01 -0.26 0.00 -0.04 0.00 0.00 63.50 60.28 3a3i n PRO 171 Cb 0.44 -2.97 0.08 0.00 -0.04 0.00 0.00 33.50 31.00 3a3i n PRO 171 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a3i s ALA 172 N 1.32 3.13 0.18 0.55 0.00 -1.26 -4.65 121.76 121.02 3a3i s ALA 172 Ca 0.49 -0.99 -0.13 0.00 0.00 0.00 0.00 51.96 51.32 3a3i s ALA 172 Cb 0.14 -2.58 0.12 0.00 0.00 0.00 0.00 23.12 20.80 3a3i s ALA 172 CO -0.05 -1.39 1.79 0.00 0.00 0.00 0.00 175.76 176.11 3a3i h ALA 173 N -0.67 0.63 -2.51 0.00 0.00 -1.89 -3.38 119.26 111.44 3a3i h ALA 173 Ca -0.44 0.01 -0.63 0.00 0.00 0.00 0.00 54.91 53.85 3a3i h ALA 173 Cb 1.31 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 3a3i h ALA 173 CO 0.58 -0.06 -0.01 0.00 0.00 0.00 0.00 179.25 179.75 3a3i s ALA 174 N -6.14 3.54 -0.12 0.00 0.00 -1.26 -0.79 121.76 116.99 3a3i s ALA 174 Ca -0.13 -0.76 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 3a3i s ALA 174 Cb 0.13 -2.96 0.05 0.00 0.00 0.00 0.00 23.12 20.34 3a3i s ALA 174 CO 0.73 -0.96 0.11 1.21 0.00 0.00 0.00 175.76 176.85 3a3i s ASN 175 N 1.65 1.57 -0.10 0.00 3.84 -1.26 -4.82 114.94 115.81 3a3i s ASN 175 Ca 0.21 -0.18 0.01 0.00 0.21 0.00 0.00 52.86 53.11 3a3i s ASN 175 Cb -0.15 -0.03 0.02 0.00 -0.55 0.00 0.00 41.25 40.53 3a3i s ASN 175 CO 0.11 -0.30 -0.13 -0.63 -2.79 0.00 0.00 177.10 173.36 3a3i s ILE 176 N 2.20 1.36 -1.48 -5.21 1.01 -1.26 -4.30 121.20 113.52 3a3i s ILE 176 Ca 0.04 -0.56 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 3a3i s ILE 176 Cb -0.14 -1.26 0.05 0.00 0.01 0.00 0.00 42.46 41.12 3a3i s ILE 176 CO -0.07 0.41 0.69 0.47 0.00 0.00 0.00 174.94 176.44 3a3i n ASP 177 N 4.27 -2.20 -0.70 3.58 8.00 0.03 -1.41 116.55 128.12 3a3i n ASP 177 Ca -0.19 -0.91 -0.09 0.00 0.71 0.00 0.00 54.79 54.31 3a3i n ASP 177 Cb 0.51 -3.40 -0.04 0.00 -0.02 0.00 0.00 41.12 38.17 3a3i n ASP 177 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a3i n ASN 178 N -2.90 -4.64 -4.00 -2.24 3.02 -1.26 -2.37 115.26 100.88 3a3i n ASN 178 Ca -0.14 0.23 -0.31 0.00 -0.03 0.00 0.00 54.58 54.32 3a3i n ASN 178 Cb 0.60 -2.94 0.01 0.00 -0.61 0.00 0.00 39.78 36.84 3a3i n ASN 178 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3a3i n ASN 179 N -0.24 -3.81 -3.97 6.41 3.02 -0.50 -4.80 115.26 111.38 3a3i n ASN 179 Ca -0.09 -0.87 -0.14 0.00 -0.03 0.00 0.00 54.58 53.45 3a3i n ASN 179 Cb 0.39 -3.49 -0.13 0.00 -0.61 0.00 0.00 39.78 35.93 3a3i n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a3i s PHE 181 N -0.57 1.43 -0.04 0.00 -0.12 0.23 -4.91 117.98 114.00 3a3i s PHE 181 Ca -0.03 -1.19 0.06 0.00 -0.05 0.00 0.00 56.93 55.71 3a3i s PHE 181 Cb -0.05 -0.81 -0.02 0.00 -0.63 0.00 0.00 43.02 41.51 3a3i s PHE 181 CO -0.00 -0.37 -0.21 -0.47 -0.05 0.00 0.00 175.22 174.11 3a3i s TYR 182 N -3.81 2.49 0.14 3.49 5.04 -1.26 -0.02 117.35 123.41 3a3i s TYR 182 Ca 0.36 -0.36 0.03 0.00 -2.44 0.00 0.00 57.07 54.66 3a3i s TYR 182 Cb 0.07 -1.56 -0.04 0.00 0.35 0.00 0.00 41.96 40.78 3a3i s TYR 182 CO 0.12 0.03 -0.05 0.00 -1.34 0.00 0.00 175.55 174.31 3a3i s ALA 183 N -0.61 1.26 -0.04 3.97 0.00 0.47 -4.21 121.76 122.60 3a3i s ALA 183 Ca 0.09 -1.48 0.04 0.00 0.00 0.00 0.00 51.96 50.61 3a3i s ALA 183 Cb -0.11 0.25 -0.00 0.00 0.00 0.00 0.00 23.12 23.26 3a3i s ALA 183 CO 0.00 -0.22 -0.15 -2.00 0.00 0.00 0.00 175.76 173.40 3a3i s GLU 184 N -3.83 1.52 -0.18 0.00 2.12 -0.11 -0.76 118.70 117.45 3a3i s GLU 184 Ca 0.17 -0.52 -0.05 0.00 0.36 0.00 0.00 54.97 54.94 3a3i s GLU 184 Cb 0.05 -1.35 -0.03 0.00 0.26 0.00 0.00 34.13 33.06 3a3i s GLU 184 CO -0.00 0.21 0.00 -0.51 -0.54 0.00 0.00 175.26 174.42 3a3i s LEU 185 N 0.06 3.36 -0.46 2.70 1.43 -0.42 0.37 118.68 125.73 3a3i s LEU 185 Ca -0.03 -0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 52.79 3a3i s LEU 185 Cb -0.10 -1.84 0.06 0.00 0.03 0.00 0.00 46.19 44.33 3a3i s LEU 185 CO 0.01 0.11 0.38 -0.62 0.23 0.00 0.00 176.35 176.47 3a3i s ASP 186 N 0.71 6.14 -0.18 2.29 -1.08 0.20 -2.65 116.67 122.10 3a3i s ASP 186 Ca 0.00 -1.18 0.15 0.00 -0.52 0.00 0.00 52.55 51.00 3a3i s ASP 186 Cb -0.14 -2.18 0.39 0.00 -1.46 0.00 0.00 42.92 39.53 3a3i s ASP 186 CO 0.02 -0.61 1.26 0.00 0.52 0.00 0.00 175.17 176.36 3a3i n ALA 187 N 5.24 3.01 -2.56 3.66 0.00 -1.26 -1.72 120.51 126.88 3a3i n ALA 187 Ca -0.12 -2.81 -0.43 0.00 0.00 0.00 0.00 53.44 50.09 3a3i n ALA 187 Cb 0.45 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.42 3a3i n ALA 187 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3a3i n ASN 188 N -1.16 5.04 -3.84 0.00 2.85 -1.25 -1.45 115.26 115.46 3a3i n ASN 188 Ca 0.20 -3.02 -0.09 0.00 -0.11 0.00 0.00 54.58 51.56 3a3i n ASN 188 Cb 0.75 -1.55 -0.03 0.00 1.24 0.00 0.00 39.78 40.19 3a3i n ASN 188 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3a3i s LYS 189 N 1.38 1.57 0.59 1.20 1.02 -1.26 -5.01 119.74 119.23 3a3i s LYS 189 Ca 0.43 -0.99 -0.17 0.00 0.02 0.00 0.00 55.97 55.26 3a3i s LYS 189 Cb 0.04 0.55 -0.04 0.00 -0.52 0.00 0.00 37.83 37.86 3a3i s LYS 189 CO 0.00 -0.69 1.07 -0.80 -0.92 0.00 0.00 175.35 174.02 3a3i s ASN 190 N -2.92 5.70 0.05 2.83 0.01 -1.26 -4.77 114.94 114.57 3a3i s ASN 190 Ca 0.13 1.91 -0.38 0.00 -0.71 0.00 0.00 52.86 53.81 3a3i s ASN 190 Cb -0.03 -2.55 -0.19 0.00 0.41 0.00 0.00 41.25 38.90 3a3i s ASN 190 CO 0.03 -1.23 1.14 -2.65 -1.51 0.00 0.00 177.10 172.88 3a3i n PRO 191 N -1.90 0.43 0.00 -0.60 -0.02 -1.26 -0.77 135.00 130.88 3a3i n PRO 191 Ca 0.09 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3a3i n PRO 191 Cb 0.52 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 3a3i n PRO 191 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a3i n GLY 192 N 1.87 3.44 3.89 -1.23 0.00 0.38 -4.95 105.19 108.60 3a3i n GLY 192 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3a3i n GLY 192 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a3i s GLU 193 N -0.88 3.64 -0.06 1.61 0.41 0.05 -4.76 118.70 118.71 3a3i s GLU 193 Ca 0.00 0.33 -0.24 0.00 -0.41 0.00 0.00 54.97 54.66 3a3i s GLU 193 Cb 0.00 -2.37 -0.04 0.00 -1.78 0.00 0.00 34.13 29.94 3a3i s GLU 193 CO 0.00 -0.15 0.71 0.42 -0.49 0.00 0.00 175.26 175.75 3a3i s ILE 194 N -2.61 5.04 0.44 -1.63 -1.09 -1.26 -1.14 121.20 118.95 3a3i s ILE 194 Ca 0.49 1.46 -0.25 0.00 -2.23 0.00 0.00 60.65 60.13 3a3i s ILE 194 Cb -0.10 -4.05 -0.08 0.00 -1.58 0.00 0.00 42.46 36.65 3a3i s ILE 194 CO 0.40 0.25 1.29 -0.69 -1.23 0.00 0.00 174.94 174.95 3a3i s VAL 195 N 0.80 2.62 -0.10 2.92 1.01 0.17 -4.96 120.40 122.87 3a3i s VAL 195 Ca 0.38 0.53 -0.14 0.00 0.00 0.00 0.00 61.98 62.75 3a3i s VAL 195 Cb -0.18 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 3a3i s VAL 195 CO 0.18 0.05 0.33 -0.75 0.00 0.00 0.00 175.10 174.91 3a3i s LYS 196 N -2.43 4.05 -0.19 2.72 2.20 -0.70 -4.70 119.74 120.69 3a3i s LYS 196 Ca 0.60 0.20 -0.06 0.00 -0.36 0.00 0.00 55.97 56.35 3a3i s LYS 196 Cb -0.37 -3.33 -0.03 0.00 -1.51 0.00 0.00 37.83 32.59 3a3i s LYS 196 CO 0.46 0.45 0.03 0.42 -0.36 0.00 0.00 175.35 176.35 3a3i s ILE 197 N -0.21 4.40 -0.18 5.43 1.01 -1.26 0.59 121.20 130.98 3a3i s ILE 197 Ca 0.20 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.69 3a3i s ILE 197 Cb -0.14 -2.99 0.03 0.00 0.01 0.00 0.00 42.46 39.37 3a3i s ILE 197 CO 0.08 0.44 -0.16 0.20 0.00 0.00 0.00 174.94 175.50 3a3i s ASN 198 N 0.66 3.21 -0.18 3.58 -0.87 0.16 -4.97 114.94 116.53 3a3i s ASN 198 Ca 0.02 -0.73 -0.05 0.00 -1.57 0.00 0.00 52.86 50.53 3a3i s ASN 198 Cb -0.14 -1.37 -0.03 0.00 -0.02 0.00 0.00 41.25 39.69 3a3i s ASN 198 CO 0.02 -0.06 -0.01 -0.69 -2.57 0.00 0.00 177.10 173.79 3a3i s VAL 199 N 1.33 4.03 0.65 1.60 1.01 -1.26 -0.93 120.40 126.83 3a3i s VAL 199 Ca 0.02 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 61.53 3a3i s VAL 199 Cb -0.14 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 3a3i s VAL 199 CO -0.11 0.46 1.28 -2.84 0.00 0.00 0.00 175.10 173.89 3a3i s PRO 200 N 0.63 2.55 0.32 2.72 0.02 -1.26 -4.85 135.00 135.12 3a3i s PRO 200 Ca -0.01 2.02 0.26 0.00 0.02 0.00 0.00 61.00 63.29 3a3i s PRO 200 Cb -0.14 -1.85 0.94 0.00 0.02 0.00 0.00 34.50 33.47 3a3i s PRO 200 CO 0.02 -1.58 1.77 0.00 -0.33 0.00 0.00 177.00 176.88 3a3i h ALA 201 N 0.51 1.00 0.00 -1.55 0.00 -1.98 -2.84 119.26 114.40 3a3i h ALA 201 Ca -0.51 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 3a3i h ALA 201 Cb 1.33 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 3a3i h ALA 201 CO 0.53 0.00 -0.01 -0.56 0.00 0.00 0.00 179.25 179.20 3a3i h GLN 202 N 0.00 0.00 -5.37 0.00 -0.00 -2.02 -3.42 115.11 104.30 3a3i h GLN 202 Ca 0.00 0.00 -0.62 0.00 -0.00 0.00 0.00 58.65 58.03 3a3i h GLN 202 Cb 0.56 0.00 -0.13 0.00 -0.00 0.00 0.00 27.48 27.92 3a3i h GLN 202 CO 0.00 0.01 0.01 -0.06 -0.00 0.00 0.00 178.83 178.79 3a3i s PHE 203 N -4.21 3.27 -1.42 0.06 0.08 -1.07 -4.98 117.98 109.71 3a3i s PHE 203 Ca -0.04 0.65 -0.12 0.00 0.12 0.00 0.00 56.93 57.54 3a3i s PHE 203 Cb 0.13 -2.74 0.07 0.00 -0.57 0.00 0.00 43.02 39.90 3a3i s PHE 203 CO 0.48 -0.29 2.20 -0.35 -0.10 0.00 0.00 175.22 177.15 3a3i n PRO 204 N 5.57 3.15 -4.13 0.24 -0.04 -1.26 -4.85 135.00 133.68 3a3i n PRO 204 Ca -0.04 -2.83 -0.11 0.00 -0.04 0.00 0.00 63.50 60.48 3a3i n PRO 204 Cb 0.50 -3.14 -0.09 0.00 -0.04 0.00 0.00 33.50 30.72 3a3i n PRO 204 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3a3i s ILE 205 N 2.29 0.02 -0.02 0.52 -5.25 -1.26 -4.89 121.20 112.60 3a3i s ILE 205 Ca 0.47 -1.81 0.03 0.00 -0.99 0.00 0.00 60.65 58.34 3a3i s ILE 205 Cb 0.13 -2.30 0.00 0.00 2.95 0.00 0.00 42.46 43.25 3a3i s ILE 205 CO -0.06 -0.11 -0.10 -1.10 -1.79 0.00 0.00 174.94 171.78 3a3i s GLN 206 N -4.09 0.98 -0.13 0.37 -0.21 -0.67 -5.03 119.66 110.88 3a3i s GLN 206 Ca 0.31 -0.33 0.03 0.00 0.02 0.00 0.00 55.36 55.39 3a3i s GLN 206 Cb 0.05 -0.91 0.01 0.00 1.00 0.00 0.00 33.01 33.16 3a3i s GLN 206 CO 0.08 0.14 -0.22 0.08 -2.12 0.00 0.00 175.29 173.25 3a3i s VAL 207 N 0.10 2.02 0.13 1.09 1.01 -1.26 0.22 120.40 123.72 3a3i s VAL 207 Ca -0.02 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 60.96 3a3i s VAL 207 Cb -0.08 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 3a3i s VAL 207 CO 0.00 0.54 0.11 0.72 0.00 0.00 0.00 175.10 176.48 3a3i s PHE 208 N 0.73 0.70 0.00 5.22 -0.12 0.41 -4.96 117.98 119.96 3a3i s PHE 208 Ca -0.09 -1.09 0.00 0.00 -0.05 0.00 0.00 56.93 55.70 3a3i s PHE 208 Cb -0.16 -0.36 0.00 0.00 -0.63 0.00 0.00 43.02 41.87 3a3i s PHE 208 CO 0.00 -0.56 0.00 0.41 -0.05 0.00 0.00 175.22 175.03 3a3i n GLY 209 N -0.10 1.95 3.01 1.99 0.00 -1.26 -0.45 105.19 110.32 3a3i n GLY 209 Ca -0.07 -1.78 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 3a3i n GLY 209 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a3i s GLN 210 N -1.54 2.37 0.04 1.61 -1.52 -1.24 -4.90 119.66 114.47 3a3i s GLN 210 Ca 0.00 -2.76 -0.21 0.00 -1.95 0.00 0.00 55.36 50.44 3a3i s GLN 210 Cb 0.00 -3.53 -0.06 0.00 -0.22 0.00 0.00 33.01 29.20 3a3i s GLN 210 CO 0.00 -1.17 0.60 0.08 -0.25 0.00 0.00 175.29 174.55 3a3i s VAL 211 N -0.49 4.81 0.25 1.09 1.01 -1.26 -4.52 120.40 121.29 3a3i s VAL 211 Ca 0.19 1.28 0.10 0.00 0.00 0.00 0.00 61.98 63.55 3a3i s VAL 211 Cb -0.19 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 3a3i s VAL 211 CO -0.05 0.47 -0.08 -0.72 0.00 0.00 0.00 175.10 174.73 3a3i s TYR 212 N -0.59 2.57 -0.02 5.22 -0.85 -1.04 -0.66 117.35 121.99 3a3i s TYR 212 Ca 0.31 -0.25 -0.25 0.00 -0.52 0.00 0.00 57.07 56.35 3a3i s TYR 212 Cb -0.19 -1.16 -0.04 0.00 0.38 0.00 0.00 41.96 40.95 3a3i s TYR 212 CO 0.19 0.62 0.78 0.08 -1.52 0.00 0.00 175.55 175.69 3a3i s VAL 213 N -2.21 4.93 -0.04 -3.49 1.01 -0.29 -2.10 120.40 118.20 3a3i s VAL 213 Ca 0.29 1.63 -0.04 0.00 0.00 0.00 0.00 61.98 63.86 3a3i s VAL 213 Cb -0.07 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 3a3i s VAL 213 CO 0.17 0.26 0.16 0.00 0.00 0.00 0.00 175.10 175.69 3a3i s ALA 214 N 0.64 3.89 1.28 5.51 0.00 0.10 -0.47 121.76 132.71 3a3i s ALA 214 Ca 0.41 -0.74 -0.17 0.00 0.00 0.00 0.00 51.96 51.46 3a3i s ALA 214 Cb -0.19 -1.88 0.32 0.00 0.00 0.00 0.00 23.12 21.37 3a3i s ALA 214 CO 0.22 0.70 0.99 0.16 0.00 0.00 0.00 175.76 177.83 3a3i s ASP 215 N -1.63 0.08 0.35 0.00 1.47 -1.26 -4.05 116.67 111.64 3a3i s ASP 215 Ca 0.23 1.19 0.03 0.00 1.18 0.00 0.00 52.55 55.17 3a3i s ASP 215 Cb -0.12 -1.79 0.65 0.00 -0.34 0.00 0.00 42.92 41.32 3a3i s ASP 215 CO 0.14 -4.71 2.02 0.77 0.68 0.00 0.00 175.17 174.07 3a3i h SER 216 N -2.97 0.71 0.58 2.11 4.64 -1.99 0.12 113.55 116.75 3a3i h SER 216 Ca -0.54 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 60.73 3a3i h SER 216 Cb 1.34 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3a3i h SER 216 CO 0.41 0.51 -0.28 0.78 -0.87 0.00 0.00 176.83 177.39 3a3i h ASN 217 N 0.84 -0.66 -0.17 4.97 2.35 -2.05 -3.34 115.58 117.52 3a3i h ASN 217 Ca 0.23 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.87 3a3i h ASN 217 Cb -0.10 0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3a3i h ASN 217 CO -0.05 -0.29 -0.10 -0.08 -1.65 0.00 0.00 177.43 175.26 3a3i h GLU 218 N -1.09 0.53 -0.66 0.81 4.81 -1.89 -3.37 114.58 113.73 3a3i h GLU 218 Ca -0.08 -0.15 0.14 0.00 -0.13 0.00 0.00 59.36 59.14 3a3i h GLU 218 Cb 0.65 -0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.86 3a3i h GLU 218 CO 0.13 0.63 0.03 0.00 -0.73 0.00 0.00 179.01 179.07 3a3i h ALA 219 N 1.40 0.68 -0.28 2.92 0.00 -0.87 -0.86 119.26 122.26 3a3i h ALA 219 Ca 0.09 0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.28 3a3i h ALA 219 Cb 0.48 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3a3i h ALA 219 CO 0.03 -0.39 0.33 -1.35 0.00 0.00 0.00 179.25 177.87 3a3i h PRO 220 N 0.14 0.00 -0.01 0.00 0.11 -1.76 0.23 132.00 130.71 3a3i h PRO 220 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3a3i h PRO 220 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 3a3i h PRO 220 CO -0.55 0.00 -0.16 0.66 -0.21 0.00 0.00 178.00 177.74 3a3i n TYR 221 N -3.68 0.00 -2.42 0.65 4.01 -0.33 -4.97 117.16 110.42 3a3i n TYR 221 Ca 0.04 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.43 3a3i n TYR 221 Cb 0.47 -0.15 -0.02 0.00 -0.31 0.00 0.00 39.34 39.34 3a3i n TYR 221 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3a3i s GLN 223 N -3.05 1.97 -0.37 0.00 -1.52 -1.26 -4.96 119.66 110.47 3a3i s GLN 223 Ca 0.67 -0.63 -0.15 0.00 -1.95 0.00 0.00 55.36 53.29 3a3i s GLN 223 Cb -0.21 -1.66 -0.00 0.00 -0.22 0.00 0.00 33.01 30.92 3a3i s GLN 223 CO 0.25 0.21 0.36 -1.17 -0.25 0.00 0.00 175.29 174.69 3a3i s LEU 224 N 0.16 4.62 0.21 2.90 2.96 -1.24 -2.53 118.68 125.76 3a3i s LEU 224 Ca -0.07 -0.43 0.09 0.00 -0.22 0.00 0.00 54.13 53.49 3a3i s LEU 224 Cb -0.13 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 3a3i s LEU 224 CO 0.03 -0.39 -0.04 -1.81 -1.32 0.00 0.00 176.35 172.82 3a3i s ASP 225 N 1.74 4.50 -0.02 3.68 1.01 0.90 -4.96 116.67 123.52 3a3i s ASP 225 Ca 0.10 -0.55 0.06 0.00 0.71 0.00 0.00 52.55 52.86 3a3i s ASP 225 Cb -0.17 -0.84 -0.01 0.00 1.01 0.00 0.00 42.92 42.90 3a3i s ASP 225 CO 0.12 0.06 -0.19 0.54 0.21 0.00 0.00 175.17 175.91 3a3i s VAL 226 N -1.94 1.50 -0.09 -1.27 0.11 -1.26 -1.35 120.40 116.10 3a3i s VAL 226 Ca 0.28 -0.80 0.04 0.00 -2.93 0.00 0.00 61.98 58.57 3a3i s VAL 226 Cb -0.08 -1.26 0.00 0.00 -1.53 0.00 0.00 36.38 33.52 3a3i s VAL 226 CO 0.18 0.43 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.47 3a3i s VAL 227 N -0.33 1.83 -0.10 2.04 1.01 0.43 -4.96 120.40 120.33 3a3i s VAL 227 Ca 0.05 -0.89 -0.20 0.00 0.00 0.00 0.00 61.98 60.93 3a3i s VAL 227 Cb -0.08 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 3a3i s VAL 227 CO 0.00 0.51 0.58 -0.69 0.00 0.00 0.00 175.10 175.50 3a3i s VAL 228 N 0.40 5.12 0.32 2.92 1.01 -1.26 -0.93 120.40 127.98 3a3i s VAL 228 Ca -0.17 1.17 0.10 0.00 0.00 0.00 0.00 61.98 63.07 3a3i s VAL 228 Cb -0.17 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 3a3i s VAL 228 CO 0.08 0.29 -0.06 -1.00 0.00 0.00 0.00 175.10 174.41 3a3i s HIS 229 N 0.74 2.48 0.53 5.22 3.76 0.22 -4.99 115.29 123.25 3a3i s HIS 229 Ca 0.31 -0.42 -0.20 0.00 -0.15 0.00 0.00 55.06 54.61 3a3i s HIS 229 Cb -0.16 -1.35 -0.08 0.00 1.11 0.00 0.00 32.58 32.10 3a3i s HIS 229 CO 0.14 0.56 0.73 -0.25 -0.85 0.00 0.00 174.74 175.07 3a3i n ASP 230 N -0.85 -0.13 -2.49 1.40 8.00 -1.26 -3.20 116.55 118.02 3a3i n ASP 230 Ca -0.05 0.83 -0.16 0.00 0.71 0.00 0.00 54.79 56.12 3a3i n ASP 230 Cb 0.62 -1.26 0.05 0.00 -0.02 0.00 0.00 41.12 40.51 3a3i n ASP 230 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a3i n ASN 231 N 0.25 -4.88 -3.52 -2.24 3.02 -1.26 -3.52 115.26 103.10 3a3i n ASN 231 Ca 0.12 -0.34 -0.19 0.00 -0.03 0.00 0.00 54.58 54.15 3a3i n ASN 231 Cb 0.45 -3.51 0.07 0.00 -0.61 0.00 0.00 39.78 36.19 3a3i n ASN 231 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3a3i n ASN 232 N -1.44 -1.90 -4.21 6.41 5.03 -1.24 -4.82 115.26 113.08 3a3i n ASN 232 Ca -0.00 -0.68 -0.34 0.00 0.87 0.00 0.00 54.58 54.43 3a3i n ASN 232 Cb 0.55 -4.80 -0.15 0.00 -1.02 0.00 0.00 39.78 34.36 3a3i n ASN 232 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3a3i s ARG 233 N -5.58 3.16 -0.18 3.52 0.52 -1.19 -1.67 118.95 117.52 3a3i s ARG 233 Ca 0.02 -0.74 -0.03 0.00 -0.52 0.00 0.00 55.73 54.46 3a3i s ARG 233 Cb -0.01 -2.74 -0.02 0.00 0.52 0.00 0.00 34.95 32.71 3a3i s ARG 233 CO 0.76 -0.17 -0.06 0.71 0.02 0.00 0.00 175.30 176.55 3a3i s TYR 234 N 1.29 2.95 -0.25 -0.53 2.02 0.13 -0.61 117.35 122.35 3a3i s TYR 234 Ca 0.04 -0.66 -0.10 0.00 -0.37 0.00 0.00 57.07 55.98 3a3i s TYR 234 Cb -0.14 -2.00 -0.05 0.00 -0.40 0.00 0.00 41.96 39.37 3a3i s TYR 234 CO -0.08 -0.31 0.15 -1.14 -1.57 0.00 0.00 175.55 172.61 3a3i s GLN 235 N 0.88 3.96 0.09 -0.62 0.74 -0.11 -0.44 119.66 124.16 3a3i s GLN 235 Ca -0.01 -0.32 -0.07 0.00 0.05 0.00 0.00 55.36 55.01 3a3i s GLN 235 Cb -0.15 -3.53 -0.05 0.00 1.10 0.00 0.00 33.01 30.38 3a3i s GLN 235 CO 0.01 -0.04 0.35 0.14 -0.55 0.00 0.00 175.29 175.20 3a3i s VAL 236 N 1.34 5.19 0.05 1.34 -7.23 0.41 -0.42 120.40 121.06 3a3i s VAL 236 Ca 0.07 0.18 -0.08 0.00 -1.81 0.00 0.00 61.98 60.33 3a3i s VAL 236 Cb -0.15 -3.62 -0.00 0.00 0.56 0.00 0.00 36.38 33.18 3a3i s VAL 236 CO 0.06 0.20 0.17 -0.54 -0.31 0.00 0.00 175.10 174.69 3a3i s LYS 237 N -2.20 0.71 0.00 4.82 1.02 -0.45 -3.68 119.74 119.95 3a3i s LYS 237 Ca 0.35 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.60 3a3i s LYS 237 Cb -0.13 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 3a3i s LYS 237 CO 0.21 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.84 3a3i n GLY 238 N 0.51 -0.09 3.77 -3.33 0.00 -1.26 -0.07 105.19 104.72 3a3i n GLY 238 Ca -0.18 -1.95 -0.08 0.00 0.00 0.00 0.00 46.02 43.82 3a3i n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a3i s LEU 240 N -2.88 -0.47 0.66 0.00 2.34 -0.89 -3.69 118.68 113.75 3a3i s LEU 240 Ca 0.09 -0.20 -0.16 0.00 0.06 0.00 0.00 54.13 53.92 3a3i s LEU 240 Cb -0.05 2.63 0.00 0.00 -0.56 0.00 0.00 46.19 48.22 3a3i s LEU 240 CO 0.03 -1.09 1.16 0.00 -1.06 0.00 0.00 176.35 175.39 3a3i s ALA 241 N -3.80 2.37 0.05 1.48 0.00 -1.26 -0.72 121.76 119.88 3a3i s ALA 241 Ca 0.04 0.75 -0.37 0.00 0.00 0.00 0.00 51.96 52.38 3a3i s ALA 241 Cb -0.03 -3.39 -0.17 0.00 0.00 0.00 0.00 23.12 19.53 3a3i s ALA 241 CO -0.06 -1.43 1.33 -2.13 0.00 0.00 0.00 175.76 173.47 3a3i n ARG 242 N -2.31 1.01 -3.78 0.00 0.63 -1.26 -4.83 116.66 106.11 3a3i n ARG 242 Ca 0.12 0.36 -0.29 0.00 -0.92 0.00 0.00 57.85 57.12 3a3i n ARG 242 Cb 0.51 -1.99 -0.04 0.00 0.45 0.00 0.00 32.46 31.39 3a3i n ARG 242 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3a3i s GLN 243 N 0.62 3.51 -0.11 -0.14 -1.52 -0.53 -5.01 119.66 116.49 3a3i s GLN 243 Ca 0.86 -0.34 0.16 0.00 -1.95 0.00 0.00 55.36 54.09 3a3i s GLN 243 Cb -1.00 -2.91 0.25 0.00 -0.22 0.00 0.00 33.01 29.13 3a3i s GLN 243 CO 0.49 0.49 1.13 0.66 -0.25 0.00 0.00 175.29 177.81 3a3i n TYR 244 N -0.22 0.00 -3.96 0.91 4.01 -1.26 -3.91 117.16 112.73 3a3i n TYR 244 Ca -0.05 -0.86 -0.09 0.00 -0.16 0.00 0.00 57.90 56.74 3a3i n TYR 244 Cb 0.53 -0.14 -0.04 0.00 -0.31 0.00 0.00 39.34 39.38 3a3i n TYR 244 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 3a3i s LYS 245 N -2.44 1.66 0.09 -0.72 -2.85 -1.26 -5.14 119.74 109.09 3a3i s LYS 245 Ca 0.27 -1.22 -0.31 0.00 -1.00 0.00 0.00 55.97 53.71 3a3i s LYS 245 Cb 0.24 0.51 -0.08 0.00 -2.06 0.00 0.00 37.83 36.45 3a3i s LYS 245 CO 0.02 -0.72 1.46 -2.14 0.10 0.00 0.00 175.35 174.08 3a3i s PRO 246 N -3.85 4.28 -0.59 1.78 0.02 -1.26 -4.81 135.00 130.55 3a3i s PRO 246 Ca 0.20 2.14 -0.26 0.00 0.02 0.00 0.00 61.00 63.10 3a3i s PRO 246 Cb -0.02 -3.36 0.04 0.00 0.02 0.00 0.00 34.50 31.18 3a3i s PRO 246 CO 0.09 -0.54 1.10 0.12 -0.33 0.00 0.00 177.00 177.45 3a3i s PHE 247 N 1.62 2.64 0.15 6.54 5.36 -1.08 -4.97 117.98 128.23 3a3i s PHE 247 Ca 0.67 0.17 -0.30 0.00 -0.96 0.00 0.00 56.93 56.50 3a3i s PHE 247 Cb -0.37 -4.36 -0.07 0.00 -0.34 0.00 0.00 43.02 37.87 3a3i s PHE 247 CO 0.30 -1.56 1.08 0.20 -1.46 0.00 0.00 175.22 173.77 3a3i s GLY 248 N 3.04 2.84 -0.05 13.12 0.00 -1.26 -1.30 107.32 123.71 3a3i s GLY 248 Ca 0.37 0.76 0.03 0.00 0.00 0.00 0.00 44.72 45.88 3a3i s GLY 248 CO 0.21 1.65 -0.13 1.08 0.00 0.00 0.00 173.10 175.91 3a3i s LEU 249 N -0.14 2.79 -0.21 0.66 1.43 0.06 -4.95 118.68 118.33 3a3i s LEU 249 Ca 0.50 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 3a3i s LEU 249 Cb -0.28 -1.57 0.04 0.00 0.03 0.00 0.00 46.19 44.41 3a3i s LEU 249 CO 0.33 0.34 -0.12 -0.55 0.23 0.00 0.00 176.35 176.58 3a3i s SER 250 N -0.70 3.54 -0.02 2.29 0.15 -1.26 -0.40 113.70 117.30 3a3i s SER 250 Ca 0.11 -0.94 0.07 0.00 0.70 0.00 0.00 55.95 55.89 3a3i s SER 250 Cb -0.11 -1.34 -0.02 0.00 -1.71 0.00 0.00 66.02 62.84 3a3i s SER 250 CO 0.01 -0.13 -0.23 -0.36 1.20 0.00 0.00 173.24 173.74 3a3i s PHE 251 N 1.32 2.44 0.05 3.44 0.08 0.97 -3.89 117.98 122.38 3a3i s PHE 251 Ca -0.02 -0.35 -0.31 0.00 0.12 0.00 0.00 56.93 56.38 3a3i s PHE 251 Cb -0.16 -1.52 -0.06 0.00 -0.57 0.00 0.00 43.02 40.71 3a3i s PHE 251 CO -0.08 0.05 1.30 0.00 -0.10 0.00 0.00 175.22 176.39 3a3i s ALA 252 N -0.68 3.50 0.09 5.36 0.00 0.20 -0.60 121.76 129.62 3a3i s ALA 252 Ca 0.11 0.91 -0.33 0.00 0.00 0.00 0.00 51.96 52.65 3a3i s ALA 252 Cb -0.10 -3.51 -0.12 0.00 0.00 0.00 0.00 23.12 19.39 3a3i s ALA 252 CO 0.00 -0.62 1.76 0.28 0.00 0.00 0.00 175.76 177.18 3a3i n VAL 253 N 4.17 0.28 -0.09 0.00 0.31 0.09 -4.87 118.33 118.22 3a3i n VAL 253 Ca 0.11 -0.05 -0.23 0.00 -0.01 0.00 0.00 64.34 64.16 3a3i n VAL 253 Cb 0.45 -1.87 -0.12 0.00 -0.91 0.00 0.00 33.84 31.39 3a3i n VAL 253 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a3i n GLN 254 N 5.06 0.64 -3.32 5.55 1.13 -1.26 -4.48 117.38 120.70 3a3i n GLN 254 Ca 0.19 0.34 -0.46 0.00 -1.94 0.00 0.00 57.00 55.13 3a3i n GLN 254 Cb 0.33 -1.64 -0.05 0.00 0.11 0.00 0.00 30.24 28.99 3a3i n GLN 254 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3a3i s ASN 255 N -7.00 6.26 0.13 1.08 3.84 -1.26 -4.93 114.94 113.06 3a3i s ASN 255 Ca -0.31 -1.92 0.03 0.00 0.21 0.00 0.00 52.86 50.87 3a3i s ASN 255 Cb 0.09 -2.21 -0.13 0.00 -0.55 0.00 0.00 41.25 38.45 3a3i s ASN 255 CO 0.62 -0.82 1.29 0.71 -2.79 0.00 0.00 177.10 176.11 3a3i h THR 256 N 5.74 1.57 -0.43 -5.21 1.35 -1.90 -1.91 112.91 112.12 3a3i h THR 256 Ca -0.24 -2.99 -0.03 0.00 -0.55 0.00 0.00 66.41 62.60 3a3i h THR 256 Cb 1.09 2.71 -0.02 0.00 -1.73 0.00 0.00 68.15 70.20 3a3i h THR 256 CO 1.00 0.86 0.15 0.44 -0.25 0.00 0.00 175.52 177.72 3a3i h ASP 257 N 0.06 0.61 -0.45 5.36 3.32 -1.92 -0.68 116.42 122.72 3a3i h ASP 257 Ca -0.05 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 56.70 3a3i h ASP 257 Cb 1.70 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 41.07 3a3i h ASP 257 CO 0.15 0.63 -0.14 0.00 -1.72 0.00 0.00 179.24 178.16 3a3i h ALA 258 N 1.00 0.83 -0.13 3.45 0.00 -1.97 -0.85 119.26 121.59 3a3i h ALA 258 Ca 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3a3i h ALA 258 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3a3i h ALA 258 CO -0.01 0.65 0.04 -0.92 0.00 0.00 0.00 179.25 179.02 3a3i h TYR 259 N 0.83 0.21 -0.51 0.00 3.20 -1.28 -1.34 116.97 118.07 3a3i h TYR 259 Ca 0.13 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 3a3i h TYR 259 Cb 0.68 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 3a3i h TYR 259 CO 0.04 0.33 0.31 0.00 -1.64 0.00 0.00 178.16 177.20 3a3i h ALA 260 N 0.86 0.65 -0.67 1.82 0.00 -0.96 -0.70 119.26 120.26 3a3i h ALA 260 Ca 0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3a3i h ALA 260 Cb 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3a3i h ALA 260 CO -0.00 0.13 0.21 0.00 0.00 0.00 0.00 179.25 179.59 3a3i h ALA 261 N 1.15 1.10 -0.42 0.00 0.00 -1.07 0.77 119.26 120.79 3a3i h ALA 261 Ca 0.18 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3a3i h ALA 261 Cb -0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3a3i h ALA 261 CO -0.04 0.61 0.08 0.00 0.00 0.00 0.00 179.25 179.91 3a3i h ALA 262 N 1.23 0.56 -0.31 0.00 0.00 -1.04 -2.29 119.26 117.42 3a3i h ALA 262 Ca 0.22 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3a3i h ALA 262 Cb 0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3a3i h ALA 262 CO -0.01 0.27 0.18 0.82 0.00 0.00 0.00 179.25 180.51 3a3i h ILE 263 N 0.55 1.04 -0.71 0.00 1.08 -0.56 -2.36 117.51 116.55 3a3i h ILE 263 Ca 0.13 -0.13 0.06 0.00 -0.39 0.00 0.00 64.86 64.53 3a3i h ILE 263 Cb 0.36 0.63 -0.06 0.00 -3.07 0.00 0.00 36.82 34.69 3a3i h ILE 263 CO 0.01 0.07 0.40 0.40 -0.69 0.00 0.00 178.15 178.34 3a3i h ILE 264 N 0.37 0.97 -0.50 -0.67 2.04 -0.73 -0.73 117.51 118.26 3a3i h ILE 264 Ca 0.12 -0.25 -0.11 0.00 1.00 0.00 0.00 64.86 65.62 3a3i h ILE 264 Cb -0.01 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 3a3i h ILE 264 CO -0.05 0.13 -0.11 1.56 0.00 0.00 0.00 178.15 179.68 3a3i h GLN 265 N 0.74 0.93 -0.20 2.37 4.20 -1.26 0.11 115.11 122.00 3a3i h GLN 265 Ca 0.32 -0.33 -0.16 0.00 0.06 0.00 0.00 58.65 58.54 3a3i h GLN 265 Cb 0.20 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3a3i h GLN 265 CO -0.19 0.99 -0.53 0.00 -0.67 0.00 0.00 178.83 178.44 3a3i h ARG 266 N 0.84 0.58 -0.41 1.46 3.08 -0.89 -2.03 114.38 117.00 3a3i h ARG 266 Ca 0.13 -0.35 -0.08 0.00 0.07 0.00 0.00 59.98 59.75 3a3i h ARG 266 Cb 0.64 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 3a3i h ARG 266 CO 0.04 0.96 -0.06 1.96 -1.07 0.00 0.00 179.97 181.80 3a3i h GLN 267 N 0.45 0.76 -0.55 0.04 4.20 -0.76 -1.47 115.11 117.78 3a3i h GLN 267 Ca 0.01 -0.28 0.07 0.00 0.06 0.00 0.00 58.65 58.51 3a3i h GLN 267 Cb 1.07 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.74 3a3i h GLN 267 CO 0.10 0.88 0.24 -0.07 -0.67 0.00 0.00 178.83 179.31 3a3i h LEU 268 N 0.58 0.30 -0.09 1.46 3.38 -0.77 0.10 115.31 120.28 3a3i h LEU 268 Ca 0.11 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3a3i h LEU 268 Cb 0.58 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3a3i h LEU 268 CO 0.03 0.20 0.05 -0.09 0.09 0.00 0.00 178.44 178.72 3a3i h ARG 269 N 0.45 0.12 -0.01 1.13 2.43 -1.22 -0.61 114.38 116.67 3a3i h ARG 269 Ca 0.26 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 3a3i h ARG 269 Cb 0.24 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3a3i h ARG 269 CO -0.22 0.11 -0.21 -0.22 -1.51 0.00 0.00 179.97 177.92 3a3i h LYS 270 N 0.09 0.02 0.00 0.20 3.64 -0.98 0.21 116.57 119.75 3a3i h LYS 270 Ca 0.03 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3a3i h LYS 270 Cb 0.02 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3a3i h LYS 270 CO -0.01 0.23 0.00 1.28 -2.27 0.00 0.00 179.45 178.68 3a3i n LEU 271 N -4.28 0.00 -0.07 5.20 4.77 0.34 -4.90 117.00 118.05 3a3i n LEU 271 Ca -0.02 0.33 -0.01 0.00 -0.03 0.00 0.00 56.01 56.28 3a3i n LEU 271 Cb 0.27 -0.33 -0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3a3i n LEU 271 CO 0.37 -0.04 -0.01 0.61 -1.33 0.00 0.00 177.39 176.99 3a3i n GLY 272 N 0.98 0.39 3.60 -0.72 0.00 0.75 -5.02 105.19 105.16 3a3i n GLY 272 Ca 0.11 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 3a3i n GLY 272 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a3i s ILE 273 N -2.03 5.07 0.09 -0.61 1.01 -0.29 -4.83 121.20 119.60 3a3i s ILE 273 Ca 0.00 0.08 -0.25 0.00 0.00 0.00 0.00 60.65 60.48 3a3i s ILE 273 Cb 0.00 -3.37 -0.06 0.00 0.01 0.00 0.00 42.46 39.04 3a3i s ILE 273 CO 0.00 0.33 0.78 -0.70 0.00 0.00 0.00 174.94 175.35 3a3i s GLU 274 N 1.28 4.52 -0.12 2.79 2.12 -0.53 -4.10 118.70 124.67 3a3i s GLU 274 Ca 0.06 1.11 -0.07 0.00 0.36 0.00 0.00 54.97 56.44 3a3i s GLU 274 Cb -0.14 -3.33 0.05 0.00 0.26 0.00 0.00 34.13 30.96 3a3i s GLU 274 CO 0.06 0.37 0.28 0.12 -0.54 0.00 0.00 175.26 175.55 3a3i s PHE 275 N -0.41 -0.37 -0.04 5.30 5.36 -1.26 -0.78 117.98 125.78 3a3i s PHE 275 Ca 0.38 0.87 0.24 0.00 -0.96 0.00 0.00 56.93 57.46 3a3i s PHE 275 Cb -0.21 0.09 0.43 0.00 -0.34 0.00 0.00 43.02 42.99 3a3i s PHE 275 CO 0.24 -0.24 1.17 0.09 -1.46 0.00 0.00 175.22 175.03 3a3i n ASN 276 N 4.05 1.14 -1.80 6.13 4.13 -1.26 -5.06 115.26 122.58 3a3i n ASN 276 Ca -0.23 -2.24 0.00 0.00 1.68 0.00 0.00 54.58 53.79 3a3i n ASN 276 Cb 0.54 -0.34 0.00 0.00 -1.54 0.00 0.00 39.78 38.45 3a3i n ASN 276 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3a3i n GLY 277 N 0.25 1.69 3.95 7.41 0.00 -1.23 -5.05 105.19 112.20 3a3i n GLY 277 Ca 0.08 -2.08 -0.24 0.00 0.00 0.00 0.00 46.02 43.78 3a3i n GLY 277 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a3i s LYS 278 N -1.54 3.01 -0.32 1.61 1.02 -1.26 -4.85 119.74 117.41 3a3i s LYS 278 Ca 0.00 -0.40 -0.12 0.00 0.02 0.00 0.00 55.97 55.47 3a3i s LYS 278 Cb 0.00 -2.49 -0.03 0.00 -0.52 0.00 0.00 37.83 34.79 3a3i s LYS 278 CO 0.00 -0.39 0.21 0.08 -0.92 0.00 0.00 175.35 174.34 3a3i s VAL 279 N -2.66 5.22 -0.08 3.17 1.01 -1.26 -0.75 120.40 125.05 3a3i s VAL 279 Ca 0.50 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.38 3a3i s VAL 279 Cb -0.10 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 3a3i s VAL 279 CO 0.39 0.08 -0.08 -0.76 0.00 0.00 0.00 175.10 174.74 3a3i s LEU 280 N 1.72 3.08 -0.66 3.92 1.43 0.95 -4.98 118.68 124.14 3a3i s LEU 280 Ca 0.06 -0.08 0.05 0.00 -1.03 0.00 0.00 54.13 53.14 3a3i s LEU 280 Cb -0.17 -1.67 0.20 0.00 0.03 0.00 0.00 46.19 44.59 3a3i s LEU 280 CO 0.10 0.33 0.59 0.18 0.23 0.00 0.00 176.35 177.79 3a3i n LEU 281 N 2.43 3.13 0.17 1.79 4.77 -1.26 -2.11 117.00 125.91 3a3i n LEU 281 Ca -0.18 -5.27 0.13 0.00 -0.03 0.00 0.00 56.01 50.67 3a3i n LEU 281 Cb 0.53 -0.64 0.54 0.00 -2.33 0.00 0.00 43.42 41.53 3a3i n LEU 281 CO 0.27 1.89 0.89 1.55 -1.33 0.00 0.00 177.39 180.66 3a3i h PRO 282 N 4.86 0.00 -1.80 3.23 0.13 -1.98 -3.47 132.00 132.98 3a3i h PRO 282 Ca 0.17 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 65.00 3a3i h PRO 282 Cb 0.72 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.81 3a3i h PRO 282 CO 0.75 0.00 -0.36 1.04 -0.23 0.00 0.00 178.00 179.20 3a3i n GLN 283 N -2.43 -1.16 -3.77 0.86 1.13 -1.26 -5.00 117.38 105.74 3a3i n GLN 283 Ca 0.02 0.80 -0.10 0.00 -1.94 0.00 0.00 57.00 55.78 3a3i n GLN 283 Cb 0.24 -5.09 -0.05 0.00 0.11 0.00 0.00 30.24 25.45 3a3i n GLN 283 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 3a3i s LYS 284 N -4.39 1.11 0.35 -1.09 -2.85 -1.26 -4.93 119.74 106.69 3a3i s LYS 284 Ca 0.00 -0.89 -0.28 0.00 -1.00 0.00 0.00 55.97 53.81 3a3i s LYS 284 Cb 0.00 0.44 -0.12 0.00 -2.06 0.00 0.00 37.83 36.09 3a3i s LYS 284 CO 0.00 -0.43 1.25 -2.30 0.10 0.00 0.00 175.35 173.97 3a3i n PRO 285 N -0.22 2.00 -3.92 1.78 -0.02 -1.26 -4.73 135.00 128.63 3a3i n PRO 285 Ca -0.13 0.70 -0.35 0.00 -2.02 0.00 0.00 63.50 61.71 3a3i n PRO 285 Cb 0.63 -2.28 -0.14 0.00 -0.02 0.00 0.00 33.50 31.69 3a3i n PRO 285 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3a3i s GLN 286 N -1.90 3.25 0.41 -0.52 -1.52 -1.26 -5.10 119.66 113.03 3a3i s GLN 286 Ca 0.57 -0.70 -0.22 0.00 -1.95 0.00 0.00 55.36 53.05 3a3i s GLN 286 Cb -0.57 -2.99 -0.10 0.00 -0.22 0.00 0.00 33.01 29.13 3a3i s GLN 286 CO 0.61 -0.24 0.97 -0.65 -0.25 0.00 0.00 175.29 175.74 3a3i s GLN 287 N 1.44 4.24 -0.07 2.91 1.11 -1.26 -5.05 119.66 122.98 3a3i s GLN 287 Ca 0.05 1.25 -0.30 0.00 0.01 0.00 0.00 55.36 56.37 3a3i s GLN 287 Cb -0.15 -2.36 0.10 0.00 -1.01 0.00 0.00 33.01 29.60 3a3i s GLN 287 CO -0.04 -0.03 1.35 0.20 0.01 0.00 0.00 175.29 176.78 3a3i s GLY 288 N -1.94 -0.19 0.05 3.09 0.00 -1.26 -4.72 107.32 102.34 3a3i s GLY 288 Ca 0.60 0.12 -0.24 0.00 0.00 0.00 0.00 44.72 45.20 3a3i s GLY 288 CO 0.18 6.70 0.72 -0.86 0.00 0.00 0.00 173.10 179.84 3a3i s GLN 289 N -2.01 4.45 -0.19 2.90 -2.07 0.14 -4.79 119.66 118.10 3a3i s GLN 289 Ca 0.32 0.98 -0.29 0.00 -1.82 0.00 0.00 55.36 54.55 3a3i s GLN 289 Cb -0.00 -3.34 -0.03 0.00 -1.09 0.00 0.00 33.01 28.55 3a3i s GLN 289 CO -0.02 0.34 1.57 -1.17 -1.32 0.00 0.00 175.29 174.69 3a3i s LEU 290 N -0.23 3.99 -0.09 2.60 2.96 -1.26 -1.81 118.68 124.84 3a3i s LEU 290 Ca 0.36 1.71 0.09 0.00 -0.22 0.00 0.00 54.13 56.07 3a3i s LEU 290 Cb -0.20 -3.53 -0.24 0.00 0.50 0.00 0.00 46.19 42.72 3a3i s LEU 290 CO 0.22 -1.14 0.48 0.18 -1.32 0.00 0.00 176.35 174.76 3a3i n LEU 291 N 8.00 1.20 -3.62 -0.68 4.77 0.85 -4.98 117.00 122.54 3a3i n LEU 291 Ca 0.18 0.29 -0.07 0.00 -0.03 0.00 0.00 56.01 56.38 3a3i n LEU 291 Cb 0.45 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 3a3i n LEU 291 CO 0.63 0.52 0.92 0.00 -1.33 0.00 0.00 177.39 178.13 3a3i s ALA 292 N -2.57 -2.04 -0.03 -1.18 0.00 -1.10 -4.99 121.76 109.85 3a3i s ALA 292 Ca -0.10 1.75 -0.00 0.00 0.00 0.00 0.00 51.96 53.60 3a3i s ALA 292 Cb 0.07 -1.32 0.03 0.00 0.00 0.00 0.00 23.12 21.90 3a3i s ALA 292 CO 0.80 -0.23 0.03 0.21 0.00 0.00 0.00 175.76 176.58 3a3i s LYS 293 N -0.41 0.06 -0.13 0.00 2.20 -1.26 -1.03 119.74 119.16 3a3i s LYS 293 Ca 0.04 0.20 -0.13 0.00 -0.36 0.00 0.00 55.97 55.72 3a3i s LYS 293 Cb -0.03 -0.39 -0.05 0.00 -1.51 0.00 0.00 37.83 35.85 3a3i s LYS 293 CO -0.06 -0.20 0.28 -1.58 -0.36 0.00 0.00 175.35 173.42 3a3i s HIS 294 N 1.34 3.51 -0.09 4.03 5.65 0.10 -4.96 115.29 124.87 3a3i s HIS 294 Ca -0.06 0.62 0.01 0.00 0.25 0.00 0.00 55.06 55.88 3a3i s HIS 294 Cb -0.13 -2.27 -0.03 0.00 -1.18 0.00 0.00 32.58 28.98 3a3i s HIS 294 CO -0.03 0.37 -0.09 -0.51 -0.65 0.00 0.00 174.74 173.83 3a3i s LEU 295 N 0.03 2.99 1.09 8.88 1.43 -1.26 -1.75 118.68 130.10 3a3i s LEU 295 Ca 0.17 -0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 52.99 3a3i s LEU 295 Cb -0.13 -1.65 0.24 0.00 0.03 0.00 0.00 46.19 44.67 3a3i s LEU 295 CO 0.05 0.29 1.07 -0.94 0.23 0.00 0.00 176.35 177.05 3a3i s SER 296 N -0.39 1.76 0.72 2.29 1.04 -0.17 -4.97 113.70 113.98 3a3i s SER 296 Ca 0.05 1.13 -0.16 0.00 0.48 0.00 0.00 55.95 57.45 3a3i s SER 296 Cb -0.12 -1.75 0.02 0.00 0.10 0.00 0.00 66.02 64.27 3a3i s SER 296 CO 0.02 -3.66 1.14 0.29 0.98 0.00 0.00 173.24 172.00 3a3i n LYS 297 N -4.52 0.62 -1.91 4.02 5.02 -1.26 -4.64 118.16 115.48 3a3i n LYS 297 Ca 0.06 0.27 -0.29 0.00 -2.02 0.00 0.00 58.31 56.33 3a3i n LYS 297 Cb 0.57 -2.38 0.07 0.00 -0.02 0.00 0.00 35.03 33.27 3a3i n LYS 297 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3a3i s PRO 298 N -3.54 2.36 0.31 1.97 0.04 -1.26 -4.57 135.00 130.31 3a3i s PRO 298 Ca 0.76 0.24 0.06 0.00 0.04 0.00 0.00 61.00 62.11 3a3i s PRO 298 Cb -0.34 -1.99 0.83 0.00 0.04 0.00 0.00 34.50 33.03 3a3i s PRO 298 CO 0.47 -1.33 1.66 1.25 0.04 0.00 0.00 177.00 179.09 3a3i h LEU 299 N -0.86 0.24 -1.42 -3.56 5.85 -1.27 -0.17 115.31 114.13 3a3i h LEU 299 Ca -0.45 0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.40 3a3i h LEU 299 Cb 1.30 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 3a3i h LEU 299 CO 0.65 -0.11 -0.16 -0.65 -0.34 0.00 0.00 178.44 177.83 3a3i h PRO 300 N 0.30 0.18 -0.15 5.25 0.11 -1.89 0.42 132.00 136.21 3a3i h PRO 300 Ca 0.61 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.54 3a3i h PRO 300 Cb 1.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3a3i h PRO 300 CO -0.61 0.35 -0.45 -0.44 -0.21 0.00 0.00 178.00 176.63 3a3i h ASP 301 N 0.17 0.66 -0.49 -2.05 3.32 -1.39 -0.23 116.42 116.40 3a3i h ASP 301 Ca 0.03 -0.59 -0.03 0.00 0.02 0.00 0.00 57.03 56.46 3a3i h ASP 301 Cb 0.40 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3a3i h ASP 301 CO 0.03 1.14 0.19 -0.07 -1.72 0.00 0.00 179.24 178.81 3a3i h LEU 302 N 0.22 0.68 -0.68 1.55 3.38 -0.83 -2.10 115.31 117.53 3a3i h LEU 302 Ca -0.01 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 3a3i h LEU 302 Cb 1.07 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 3a3i h LEU 302 CO 0.10 0.67 0.09 -0.07 0.09 0.00 0.00 178.44 179.31 3a3i h LEU 303 N 0.65 1.06 -0.41 1.67 3.38 -0.12 -0.44 115.31 121.10 3a3i h LEU 303 Ca 0.16 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3a3i h LEU 303 Cb 0.20 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3a3i h LEU 303 CO -0.01 1.06 0.20 0.50 0.09 0.00 0.00 178.44 180.28 3a3i h LYS 304 N 1.03 0.59 -0.51 1.13 3.64 -0.94 0.28 116.57 121.78 3a3i h LYS 304 Ca 0.20 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 3a3i h LYS 304 Cb 0.47 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3a3i h LYS 304 CO 0.02 0.51 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.45 3a3i h LYS 305 N 0.52 0.89 -0.45 1.90 3.64 -1.17 0.30 116.57 122.20 3a3i h LYS 305 Ca 0.14 -0.27 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 3a3i h LYS 305 Cb 0.11 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3a3i h LYS 305 CO -0.02 0.90 0.05 1.98 -2.27 0.00 0.00 179.45 180.10 3a3i h MET 306 N 0.81 0.76 0.08 1.90 4.05 -0.71 -1.65 114.93 120.17 3a3i h MET 306 Ca 0.15 -0.21 -0.26 0.00 -0.28 0.00 0.00 59.70 59.09 3a3i h MET 306 Cb 0.53 -0.08 0.02 0.00 -0.80 0.00 0.00 31.60 31.27 3a3i h MET 306 CO 0.03 0.79 -1.07 0.52 0.23 0.00 0.00 176.91 177.41 3a3i h MET 307 N 0.62 0.58 -0.11 0.39 2.86 -0.86 0.15 114.93 118.56 3a3i h MET 307 Ca 0.13 -0.74 -0.02 0.00 -2.06 0.00 0.00 59.70 57.01 3a3i h MET 307 Cb 0.41 0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 3a3i h MET 307 CO 0.01 1.32 -0.03 0.87 1.06 0.00 0.00 176.91 180.14 3a3i h LYS 308 N 0.19 0.21 0.00 1.72 1.79 -0.93 -3.34 116.57 116.21 3a3i h LYS 308 Ca -0.16 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 3a3i h LYS 308 Cb 1.76 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.40 3a3i h LYS 308 CO 0.21 0.53 -1.19 1.63 -1.08 0.00 0.00 179.45 179.55 3a3i n LYS 309 N -4.75 0.15 -2.90 3.15 5.02 -0.62 -1.62 118.16 116.59 3a3i n LYS 309 Ca -0.06 -0.04 -0.12 0.00 -2.02 0.00 0.00 58.31 56.07 3a3i n LYS 309 Cb 0.25 -1.51 0.06 0.00 -0.02 0.00 0.00 35.03 33.81 3a3i n LYS 309 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3a3i n SER 310 N -1.68 -5.33 -4.56 4.39 2.88 0.50 -4.87 113.62 104.94 3a3i n SER 310 Ca 0.02 -0.55 -0.43 0.00 -1.33 0.00 0.00 58.87 56.58 3a3i n SER 310 Cb 0.39 -4.21 -0.04 0.00 -0.75 0.00 0.00 64.21 59.59 3a3i n SER 310 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3a3i s ASP 311 N -3.38 6.50 0.26 -3.46 -1.08 -1.11 -4.91 116.67 109.49 3a3i s ASP 311 Ca 0.33 0.13 -0.05 0.00 -0.52 0.00 0.00 52.55 52.43 3a3i s ASP 311 Cb -0.04 -2.43 0.29 0.00 -1.46 0.00 0.00 42.92 39.27 3a3i s ASP 311 CO 0.58 -0.98 1.93 0.78 0.52 0.00 0.00 175.17 177.99 3a3i h ASN 312 N 8.97 1.11 -0.03 -0.34 2.35 -1.91 -2.52 115.58 123.20 3a3i h ASN 312 Ca -0.24 -0.04 -0.18 0.00 -0.55 0.00 0.00 56.30 55.29 3a3i h ASN 312 Cb 1.08 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 39.17 3a3i h ASN 312 CO 1.00 0.82 -0.62 1.56 -1.65 0.00 0.00 177.43 178.54 3a3i h GLN 313 N 1.30 0.64 -0.48 0.81 7.50 -1.88 -1.06 115.11 121.94 3a3i h GLN 313 Ca 0.35 -0.44 -0.06 0.00 0.50 0.00 0.00 58.65 58.99 3a3i h GLN 313 Cb -0.12 0.07 -0.02 0.00 0.05 0.00 0.00 27.48 27.46 3a3i h GLN 313 CO -0.07 1.06 0.05 0.82 -1.50 0.00 0.00 178.83 179.19 3a3i h ILE 314 N 0.47 1.25 0.16 2.54 2.04 -1.84 0.45 117.51 122.58 3a3i h ILE 314 Ca -0.01 -0.97 0.01 0.00 1.00 0.00 0.00 64.86 64.89 3a3i h ILE 314 Cb 1.20 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 3a3i h ILE 314 CO 0.12 0.34 -0.24 0.00 0.00 0.00 0.00 178.15 178.37 3a3i h ALA 315 N 0.95 -0.44 0.00 1.87 0.00 -1.26 0.49 119.26 120.86 3a3i h ALA 315 Ca 0.14 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3a3i h ALA 315 Cb 0.43 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3a3i h ALA 315 CO 0.01 -0.79 -0.39 -0.44 0.00 0.00 0.00 179.25 177.64 3a3i h ASP 316 N -0.47 0.00 0.44 0.00 3.32 -1.11 -0.54 116.42 118.07 3a3i h ASP 316 Ca 0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3a3i h ASP 316 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3a3i h ASP 316 CO -0.11 0.39 -0.21 0.28 -1.72 0.00 0.00 179.24 177.87 3a3i h SER 317 N 0.00 -0.50 -0.88 6.45 0.02 -0.71 -2.43 113.55 115.50 3a3i h SER 317 Ca -0.00 -0.05 0.06 0.00 -0.84 0.00 0.00 61.79 60.95 3a3i h SER 317 Cb 0.75 0.13 -0.06 0.00 0.14 0.00 0.00 62.40 63.36 3a3i h SER 317 CO 0.05 -0.26 0.58 -0.07 -1.14 0.00 0.00 176.83 175.99 3a3i h LEU 318 N -0.73 0.90 0.01 5.07 3.38 -0.81 0.17 115.31 123.30 3a3i h LEU 318 Ca -0.06 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3a3i h LEU 318 Cb 0.52 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3a3i h LEU 318 CO 0.10 0.59 -0.12 0.15 0.09 0.00 0.00 178.44 179.25 3a3i h PHE 319 N 1.03 -0.30 -0.02 1.13 3.57 -0.94 0.21 116.94 121.62 3a3i h PHE 319 Ca 0.37 0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.66 3a3i h PHE 319 Cb 0.15 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.02 3a3i h PHE 319 CO -0.00 -0.18 -0.90 0.00 -2.23 0.00 0.00 178.31 175.00 3a3i h ARG 320 N -0.21 0.44 -0.69 1.11 3.08 -1.24 -3.07 114.38 113.80 3a3i h ARG 320 Ca 0.04 -0.44 0.11 0.00 0.07 0.00 0.00 59.98 59.75 3a3i h ARG 320 Cb 0.25 0.12 -0.08 0.00 0.08 0.00 0.00 29.97 30.34 3a3i h ARG 320 CO -0.11 1.10 0.30 0.00 -1.07 0.00 0.00 179.97 180.19 3a3i h ALA 321 N 0.76 0.95 -0.38 0.04 0.00 -0.44 0.20 119.26 120.39 3a3i h ALA 321 Ca -0.07 0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3a3i h ALA 321 Cb 1.52 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.26 3a3i h ALA 321 CO 0.16 -0.14 -0.08 0.28 0.00 0.00 0.00 179.25 179.47 3a3i h VAL 322 N 0.50 0.64 -0.28 0.00 2.07 -0.59 -1.54 116.25 117.05 3a3i h VAL 322 Ca 0.36 -0.01 -0.14 0.00 0.82 0.00 0.00 66.70 67.72 3a3i h VAL 322 Cb 0.44 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3a3i h VAL 322 CO -0.32 0.00 -0.41 0.00 0.02 0.00 0.00 177.57 176.86 3a3i h ALA 323 N 1.37 0.75 -0.35 1.67 0.00 -1.30 0.02 119.26 121.42 3a3i h ALA 323 Ca 0.18 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.68 3a3i h ALA 323 Cb 0.28 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3a3i h ALA 323 CO -0.38 0.66 0.10 0.35 0.00 0.00 0.00 179.25 179.99 3a3i h PHE 324 N 0.55 0.18 -0.01 0.00 3.57 -0.65 -0.93 116.94 119.66 3a3i h PHE 324 Ca 0.04 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.37 3a3i h PHE 324 Cb 0.95 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 3a3i h PHE 324 CO 0.05 0.07 -0.83 -0.91 -2.23 0.00 0.00 178.31 174.45 3a3i h ASN 325 N 0.24 0.28 0.19 0.41 4.21 -1.10 0.14 115.58 119.97 3a3i h ASN 325 Ca 0.16 -0.22 -0.29 0.00 1.21 0.00 0.00 56.30 57.16 3a3i h ASN 325 Cb 0.15 -0.09 0.02 0.00 -1.12 0.00 0.00 38.32 37.29 3a3i h ASN 325 CO -0.18 0.99 -1.21 0.22 -1.29 0.00 0.00 177.43 175.96 3a3i h TYR 326 N 0.13 0.93 0.00 1.19 3.20 -0.91 -3.33 116.97 118.17 3a3i h TYR 326 Ca -0.04 -0.58 0.00 0.00 3.14 0.00 0.00 58.73 61.25 3a3i h TYR 326 Cb 1.43 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.63 3a3i h TYR 326 CO 0.03 1.42 -1.51 0.66 -1.64 0.00 0.00 178.16 177.13 3a3i n TYR 327 N -3.76 0.10 -3.30 -3.82 4.01 -0.36 -5.01 117.16 105.02 3a3i n TYR 327 Ca -0.12 0.03 -0.16 0.00 -0.16 0.00 0.00 57.90 57.49 3a3i n TYR 327 Cb 0.97 -0.39 0.08 0.00 -0.31 0.00 0.00 39.34 39.70 3a3i n TYR 327 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3a3i n LYS 328 N -2.03 -5.53 -3.49 -0.72 4.76 0.50 -5.02 118.16 106.62 3a3i n LYS 328 Ca -0.01 0.79 -0.15 0.00 -2.87 0.00 0.00 58.31 56.08 3a3i n LYS 328 Cb 0.48 -5.62 -0.04 0.00 -1.84 0.00 0.00 35.03 28.01 3a3i n LYS 328 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3a3i s ARG 329 N -5.11 1.07 0.16 1.97 1.70 -1.19 -5.06 118.95 112.48 3a3i s ARG 329 Ca 0.07 -0.04 -0.32 0.00 -0.47 0.00 0.00 55.73 54.97 3a3i s ARG 329 Cb -0.01 0.50 -0.17 0.00 -0.57 0.00 0.00 34.95 34.70 3a3i s ARG 329 CO 0.68 -0.39 0.83 -2.30 -1.08 0.00 0.00 175.30 173.03 3a3i n PRO 330 N 0.37 0.39 -4.21 3.89 -0.02 -1.26 -4.30 135.00 129.87 3a3i n PRO 330 Ca -0.17 0.14 -0.34 0.00 -2.02 0.00 0.00 63.50 61.11 3a3i n PRO 330 Cb 0.60 -1.39 -0.13 0.00 -0.02 0.00 0.00 33.50 32.56 3a3i n PRO 330 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a3i s ALA 331 N -0.63 2.92 0.61 3.55 0.00 -0.06 -4.70 121.76 123.45 3a3i s ALA 331 Ca 0.71 -0.97 0.07 0.00 0.00 0.00 0.00 51.96 51.77 3a3i s ALA 331 Cb -0.96 -1.63 0.10 0.00 0.00 0.00 0.00 23.12 20.63 3a3i s ALA 331 CO 0.56 -0.07 0.84 -1.54 0.00 0.00 0.00 175.76 175.55 3a3i s SER 332 N 0.86 4.93 0.28 0.00 1.04 -1.25 -0.92 113.70 118.64 3a3i s SER 332 Ca -0.01 -0.73 -0.00 0.00 0.48 0.00 0.00 55.95 55.69 3a3i s SER 332 Cb -0.15 0.22 0.41 0.00 0.10 0.00 0.00 66.02 66.60 3a3i s SER 332 CO 0.02 -1.46 1.79 -0.26 0.98 0.00 0.00 173.24 174.30 3a3i h PHE 333 N 0.02 0.74 -0.96 5.02 -1.00 -1.83 -1.60 116.94 117.33 3a3i h PHE 333 Ca -0.31 -0.10 0.02 0.00 2.81 0.00 0.00 57.97 60.38 3a3i h PHE 333 Cb 1.28 -0.21 -0.05 0.00 3.61 0.00 0.00 35.95 40.59 3a3i h PHE 333 CO 0.28 0.71 0.63 1.96 -1.61 0.00 0.00 178.31 180.28 3a3i h GLN 334 N 0.66 1.24 -0.32 1.51 7.50 -1.95 -0.66 115.11 123.09 3a3i h GLN 334 Ca 0.13 -0.07 -0.10 0.00 0.50 0.00 0.00 58.65 59.10 3a3i h GLN 334 Cb 0.43 -0.28 -0.01 0.00 0.05 0.00 0.00 27.48 27.67 3a3i h GLN 334 CO 0.02 0.82 -0.24 -0.07 -1.50 0.00 0.00 178.83 177.86 3a3i h LEU 335 N 1.28 0.63 -0.09 1.46 3.38 -1.88 -1.30 115.31 118.79 3a3i h LEU 335 Ca 0.36 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.15 3a3i h LEU 335 Cb -0.11 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 3a3i h LEU 335 CO -0.09 0.85 -0.19 1.23 0.09 0.00 0.00 178.44 180.34 3a3i h GLY 336 N 1.00 -0.18 0.33 0.83 0.00 -0.26 0.11 103.07 104.90 3a3i h GLY 336 Ca 0.08 0.22 0.07 0.00 0.00 0.00 0.00 47.33 47.70 3a3i h GLY 336 CO 0.05 -0.17 -0.07 -0.84 0.00 0.00 0.00 176.54 175.51 3a3i h THR 337 N -0.25 0.67 -0.83 4.70 2.02 -0.97 -0.72 112.91 117.52 3a3i h THR 337 Ca 0.08 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 3a3i h THR 337 Cb 0.38 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 3a3i h THR 337 CO -0.24 0.00 0.43 -0.07 0.37 0.00 0.00 175.52 176.01 3a3i h LEU 338 N 0.02 1.07 -0.18 2.58 3.38 -0.91 -1.94 115.31 119.32 3a3i h LEU 338 Ca 0.17 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3a3i h LEU 338 Cb 0.25 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3a3i h LEU 338 CO -0.35 0.88 -0.17 0.00 0.09 0.00 0.00 178.44 178.90 3a3i h ALA 339 N 1.23 0.26 -0.81 1.53 0.00 -0.37 -1.41 119.26 119.68 3a3i h ALA 339 Ca 0.29 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3a3i h ALA 339 Cb 0.08 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3a3i h ALA 339 CO -0.04 0.16 0.48 0.28 0.00 0.00 0.00 179.25 180.13 3a3i h VAL 340 N 0.08 1.23 -0.42 0.00 2.07 -1.05 0.17 116.25 118.33 3a3i h VAL 340 Ca 0.03 -0.52 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 3a3i h VAL 340 Cb 0.70 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3a3i h VAL 340 CO 0.04 0.24 -0.09 0.11 0.02 0.00 0.00 177.57 177.89 3a3i h LYS 341 N 1.12 0.81 -0.65 1.57 1.57 -1.28 -1.37 116.57 118.33 3a3i h LYS 341 Ca 0.29 -0.31 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 3a3i h LYS 341 Cb -0.03 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3a3i h LYS 341 CO -0.05 0.92 0.07 1.03 -0.57 0.00 0.00 179.45 180.86 3a3i h SER 342 N 0.63 1.06 -0.18 0.86 0.87 -1.00 0.17 113.55 115.96 3a3i h SER 342 Ca 0.11 -0.27 -0.09 0.00 -1.23 0.00 0.00 61.79 60.30 3a3i h SER 342 Cb 0.62 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3a3i h SER 342 CO 0.04 1.07 -0.23 0.40 -0.53 0.00 0.00 176.83 177.58 3a3i h ILE 343 N 1.02 1.34 -0.05 2.23 2.04 -0.55 -2.65 117.51 120.89 3a3i h ILE 343 Ca 0.19 -1.43 -0.17 0.00 1.00 0.00 0.00 64.86 64.45 3a3i h ILE 343 Cb 0.48 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 3a3i h ILE 343 CO 0.02 0.43 -0.70 -0.07 0.00 0.00 0.00 178.15 177.84 3a3i h LEU 344 N 0.12 0.30 -0.94 1.44 3.38 -1.18 -3.01 115.31 115.43 3a3i h LEU 344 Ca 0.02 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.85 3a3i h LEU 344 Cb 0.80 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 3a3i h LEU 344 CO 0.06 0.90 0.60 -0.61 0.09 0.00 0.00 178.44 179.48 3a3i h GLN 345 N 0.17 1.10 -0.07 1.13 4.15 -0.58 -0.38 115.11 120.63 3a3i h GLN 345 Ca -0.02 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.36 3a3i h GLN 345 Cb 1.24 -0.25 -0.00 0.00 0.21 0.00 0.00 27.48 28.68 3a3i h GLN 345 CO 0.11 0.73 0.15 0.87 -1.93 0.00 0.00 178.83 178.76 3a3i h LYS 346 N 1.14 0.00 -0.47 1.69 1.57 -1.33 0.62 116.57 119.79 3a3i h LYS 346 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3a3i h LYS 346 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3a3i h LYS 346 CO -0.15 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.77 3a3i n GLN 347 N -3.40 2.57 -0.15 3.15 1.13 -0.24 -4.94 117.38 115.50 3a3i n GLN 347 Ca -0.01 -2.38 0.00 0.00 -1.94 0.00 0.00 57.00 52.67 3a3i n GLN 347 Cb 0.24 -1.53 0.00 0.00 0.11 0.00 0.00 30.24 29.05 3a3i n GLN 347 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a3i n GLY 348 N 1.55 0.78 3.75 1.08 0.00 0.21 -5.07 105.19 107.49 3a3i n GLY 348 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 3a3i n GLY 348 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a3i s ILE 349 N -2.13 3.84 -0.16 -0.61 -1.09 -0.67 -4.98 121.20 115.41 3a3i s ILE 349 Ca 0.00 1.84 0.00 0.00 -2.23 0.00 0.00 60.65 60.26 3a3i s ILE 349 Cb 0.00 -4.17 -0.00 0.00 -1.58 0.00 0.00 42.46 36.71 3a3i s ILE 349 CO 0.00 0.43 -0.15 -0.13 -1.23 0.00 0.00 174.94 173.86 3a3i s ARG 350 N -1.22 3.21 0.03 2.79 1.81 -1.26 -4.06 118.95 120.25 3a3i s ARG 350 Ca 0.43 -0.75 0.23 0.00 -1.72 0.00 0.00 55.73 53.91 3a3i s ARG 350 Cb -0.28 -2.63 0.00 0.00 -0.45 0.00 0.00 34.95 31.59 3a3i s ARG 350 CO 0.36 0.00 0.99 1.19 -0.68 0.00 0.00 175.30 177.16 3a3i n PHE 351 N 4.10 0.18 0.00 -0.53 3.72 -1.26 -4.91 117.46 118.76 3a3i n PHE 351 Ca -0.19 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 3a3i n PHE 351 Cb 0.52 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 3a3i n PHE 351 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a3i n GLY 352 N 1.39 2.81 2.23 1.37 0.00 -1.26 -0.50 105.19 111.23 3a3i n GLY 352 Ca 0.02 0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 3a3i n GLY 352 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a3i n ASN 353 N 2.23 4.11 -4.62 1.61 4.13 -1.26 -4.98 115.26 116.48 3a3i n ASN 353 Ca 0.00 -3.61 -0.37 0.00 1.68 0.00 0.00 54.58 52.28 3a3i n ASN 353 Cb 0.00 -0.85 0.06 0.00 -1.54 0.00 0.00 39.78 37.45 3a3i n ASN 353 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3a3i n SER 354 N -1.11 0.79 -4.24 6.41 7.64 0.34 -5.00 113.62 118.46 3a3i n SER 354 Ca 0.60 0.78 -0.34 0.00 1.01 0.00 0.00 58.87 60.91 3a3i n SER 354 Cb 1.57 -1.40 -0.15 0.00 -1.01 0.00 0.00 64.21 63.22 3a3i n SER 354 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3a3i s ILE 355 N -1.55 2.94 -0.37 0.44 -1.09 -0.09 -4.95 121.20 116.53 3a3i s ILE 355 Ca 0.77 -0.75 -0.02 0.00 -2.23 0.00 0.00 60.65 58.41 3a3i s ILE 355 Cb -0.40 -2.37 0.09 0.00 -1.58 0.00 0.00 42.46 38.20 3a3i s ILE 355 CO 0.46 0.38 0.12 -0.76 -1.23 0.00 0.00 174.94 173.92 3a3i s LEU 356 N 1.39 4.77 0.01 2.97 1.02 -1.26 -0.89 118.68 126.69 3a3i s LEU 356 Ca 0.04 -1.78 0.23 0.00 0.02 0.00 0.00 54.13 52.64 3a3i s LEU 356 Cb -0.15 -1.78 0.17 0.00 0.02 0.00 0.00 46.19 44.46 3a3i s LEU 356 CO -0.06 -0.44 1.17 0.00 0.02 0.00 0.00 176.35 177.04 3a3i n ALA 357 N 4.58 3.87 -3.48 4.21 0.00 -1.26 -4.64 120.51 123.79 3a3i n ALA 357 Ca -0.05 -0.44 -0.10 0.00 0.00 0.00 0.00 53.44 52.85 3a3i n ALA 357 Cb 0.42 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.88 3a3i n ALA 357 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3a3i s ASP 358 N -3.24 0.23 0.04 0.00 1.47 -1.26 -4.59 116.67 109.32 3a3i s ASP 358 Ca 0.08 -1.15 0.22 0.00 1.18 0.00 0.00 52.55 52.88 3a3i s ASP 358 Cb 0.16 0.75 -0.17 0.00 -0.34 0.00 0.00 42.92 43.32 3a3i s ASP 358 CO 0.78 -1.47 0.76 0.61 0.68 0.00 0.00 175.17 176.52 3a3i n GLY 359 N -0.51 -1.14 0.02 2.12 0.00 -1.26 -4.33 105.19 100.08 3a3i n GLY 359 Ca -0.04 -0.44 0.11 0.00 0.00 0.00 0.00 46.02 45.64 3a3i n GLY 359 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a3i n SER 360 N -2.21 0.64 -0.12 1.61 3.41 -1.26 -3.50 113.62 112.20 3a3i n SER 360 Ca -0.01 -0.44 -0.02 0.00 -0.26 0.00 0.00 58.87 58.14 3a3i n SER 360 Cb 0.51 0.98 -0.01 0.00 -0.26 0.00 0.00 64.21 65.44 3a3i n SER 360 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a3i n GLY 361 N 1.41 0.52 0.12 5.00 0.00 -1.26 -3.63 105.19 107.36 3a3i n GLY 361 Ca 0.02 -0.51 -0.02 0.00 0.00 0.00 0.00 46.02 45.51 3a3i n GLY 361 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a3i h LEU 362 N 0.00 0.00 -9.84 0.99 3.38 -1.93 -3.34 115.31 104.57 3a3i h LEU 362 Ca -0.03 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.41 3a3i h LEU 362 Cb 0.16 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.99 3a3i h LEU 362 CO 0.05 0.70 0.77 -0.55 0.09 0.00 0.00 178.44 179.50 3a3i s SER 363 N -6.78 6.52 0.00 -0.43 0.15 -1.26 -4.78 113.70 107.12 3a3i s SER 363 Ca -0.00 2.85 0.31 0.00 0.70 0.00 0.00 55.95 59.81 3a3i s SER 363 Cb 0.12 -2.64 1.77 0.00 -1.71 0.00 0.00 66.02 63.55 3a3i s SER 363 CO 0.77 -0.77 2.16 0.54 1.20 0.00 0.00 173.24 177.14 3a3i n ARG 364 N 1.47 0.97 0.00 5.44 5.12 -0.02 -2.39 116.66 127.26 3a3i n ARG 364 Ca 0.04 -0.08 0.13 0.00 -1.93 0.00 0.00 57.85 56.00 3a3i n ARG 364 Cb 0.40 -1.50 0.33 0.00 -1.16 0.00 0.00 32.46 30.53 3a3i n ARG 364 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3a3i n HIS 365 N -0.94 0.00 -1.95 -1.55 8.25 -1.26 -4.95 115.22 112.82 3a3i n HIS 365 Ca 0.22 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.27 3a3i n HIS 365 Cb 0.15 -0.26 -0.01 0.00 1.12 0.00 0.00 29.99 31.00 3a3i n HIS 365 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3a3i s ASN 366 N -2.89 6.55 -0.07 0.41 0.02 -1.00 -4.78 114.94 113.19 3a3i s ASN 366 Ca 0.15 2.88 -0.03 0.00 -1.02 0.00 0.00 52.86 54.83 3a3i s ASN 366 Cb 0.18 -2.66 0.04 0.00 0.02 0.00 0.00 41.25 38.83 3a3i s ASN 366 CO 0.64 -0.71 0.12 -0.76 0.02 0.00 0.00 177.10 176.41 3a3i s LEU 367 N -1.94 0.10 -0.15 0.60 1.43 -0.07 -4.35 118.68 114.30 3a3i s LEU 367 Ca 0.51 0.24 -0.15 0.00 -1.03 0.00 0.00 54.13 53.70 3a3i s LEU 367 Cb -0.43 0.14 0.04 0.00 0.03 0.00 0.00 46.19 45.97 3a3i s LEU 367 CO 0.58 -0.23 0.42 0.54 0.23 0.00 0.00 176.35 177.89 3a3i s VAL 368 N 2.12 0.00 0.25 -1.59 0.11 -0.35 -0.92 120.40 120.03 3a3i s VAL 368 Ca 0.02 -0.04 -0.23 0.00 -2.93 0.00 0.00 61.98 58.81 3a3i s VAL 368 Cb -0.12 -0.61 -0.09 0.00 -1.53 0.00 0.00 36.38 34.04 3a3i s VAL 368 CO -0.05 -0.02 0.81 0.00 -3.33 0.00 0.00 175.10 172.51 3a3i s ALA 369 N 0.07 3.34 0.30 1.54 0.00 -1.26 -1.00 121.76 124.75 3a3i s ALA 369 Ca -0.01 0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.30 3a3i s ALA 369 Cb -0.03 -2.97 0.76 0.00 0.00 0.00 0.00 23.12 20.89 3a3i s ALA 369 CO 0.01 0.27 1.62 -1.35 0.00 0.00 0.00 175.76 176.31 3a3i h PRO 370 N 3.43 0.12 -0.16 0.00 0.11 -1.71 -1.42 132.00 132.36 3a3i h PRO 370 Ca -0.47 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3a3i h PRO 370 Cb 1.19 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3a3i h PRO 370 CO 0.65 0.08 -0.13 1.57 -0.21 0.00 0.00 178.00 179.96 3a3i h LYS 371 N 0.12 0.26 -0.42 1.05 2.10 -1.65 0.83 116.57 118.86 3a3i h LYS 371 Ca 0.58 -0.06 -0.10 0.00 -2.00 0.00 0.00 60.65 59.07 3a3i h LYS 371 Cb 1.23 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 3a3i h LYS 371 CO -0.75 0.40 -0.13 1.15 -2.00 0.00 0.00 179.45 178.12 3a3i h THR 372 N 0.25 1.28 -0.74 0.07 2.02 -1.54 -1.45 112.91 112.79 3a3i h THR 372 Ca 0.05 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 65.97 3a3i h THR 372 Cb 0.38 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 3a3i h THR 372 CO 0.02 0.42 0.38 -0.03 0.37 0.00 0.00 175.52 176.69 3a3i h MET 373 N 0.65 1.06 -0.81 6.66 1.85 -1.34 -2.56 114.93 120.43 3a3i h MET 373 Ca 0.10 -0.14 -0.04 0.00 -0.61 0.00 0.00 59.70 59.02 3a3i h MET 373 Cb 0.67 -0.20 -0.04 0.00 0.43 0.00 0.00 31.60 32.46 3a3i h MET 373 CO 0.05 0.80 0.36 1.25 -0.40 0.00 0.00 176.91 178.97 3a3i h LEU 374 N 1.04 1.09 -1.66 3.39 5.85 -0.62 -1.01 115.31 123.38 3a3i h LEU 374 Ca 0.26 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3a3i h LEU 374 Cb 0.08 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3a3i h LEU 374 CO -0.04 0.94 0.09 0.77 -0.34 0.00 0.00 178.44 179.85 3a3i h SER 375 N 1.17 0.27 -0.11 1.25 4.64 -0.88 0.17 113.55 120.06 3a3i h SER 375 Ca 0.28 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.51 3a3i h SER 375 Cb 0.16 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3a3i h SER 375 CO -0.03 0.25 -0.21 0.58 -0.87 0.00 0.00 176.83 176.55 3a3i h VAL 376 N 0.31 1.38 -0.80 0.95 2.07 -0.95 -1.76 116.25 117.45 3a3i h VAL 376 Ca 0.08 -1.48 0.17 0.00 0.82 0.00 0.00 66.70 66.28 3a3i h VAL 376 Cb 0.07 2.08 -0.11 0.00 -1.52 0.00 0.00 31.29 31.82 3a3i h VAL 376 CO -0.01 0.43 0.31 -0.07 0.02 0.00 0.00 177.57 178.25 3a3i h LEU 377 N -0.09 0.25 -0.74 2.57 3.38 -0.79 0.11 115.31 119.99 3a3i h LEU 377 Ca 0.00 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3a3i h LEU 377 Cb 0.79 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 3a3i h LEU 377 CO 0.05 0.05 0.29 -0.33 0.09 0.00 0.00 178.44 178.59 3a3i h GLU 378 N 0.40 1.12 -0.52 1.13 5.08 -0.88 -1.13 114.58 119.78 3a3i h GLU 378 Ca 0.46 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.64 3a3i h GLU 378 Cb 0.77 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 3a3i h GLU 378 CO -0.46 0.92 0.30 -0.92 -1.00 0.00 0.00 179.01 177.84 3a3i h TYR 379 N 1.08 0.55 -0.05 4.33 3.20 -0.52 0.52 116.97 126.07 3a3i h TYR 379 Ca 0.25 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.16 3a3i h TYR 379 Cb 0.22 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 3a3i h TYR 379 CO 0.02 0.30 -0.13 0.82 -1.64 0.00 0.00 178.16 177.53 3a3i h ILE 380 N 0.59 0.67 -0.51 1.81 2.04 -0.40 -0.31 117.51 121.40 3a3i h ILE 380 Ca 0.21 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.01 3a3i h ILE 380 Cb 0.06 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3a3i h ILE 380 CO -0.11 0.00 0.07 0.00 0.00 0.00 0.00 178.15 178.10 3a3i h ALA 381 N 0.82 0.67 -0.29 1.87 0.00 -0.99 -2.11 119.26 119.22 3a3i h ALA 381 Ca 0.06 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3a3i h ALA 381 Cb 0.28 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3a3i h ALA 381 CO -0.16 0.42 -0.02 -0.22 0.00 0.00 0.00 179.25 179.27 3a3i h LYS 382 N 0.72 0.45 -0.49 0.00 3.64 0.32 -2.94 116.57 118.27 3a3i h LYS 382 Ca 0.15 -0.09 -0.17 0.00 -1.27 0.00 0.00 60.65 59.27 3a3i h LYS 382 Cb 0.42 -0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 32.07 3a3i h LYS 382 CO 0.01 0.49 0.11 0.09 -2.27 0.00 0.00 179.45 177.89 3a3i n ASN 383 N -4.29 3.61 -0.27 4.20 4.13 -0.15 -4.68 115.26 117.81 3a3i n ASN 383 Ca 0.01 -3.40 0.19 0.00 1.68 0.00 0.00 54.58 53.06 3a3i n ASN 383 Cb 0.24 -0.66 0.48 0.00 -1.54 0.00 0.00 39.78 38.31 3a3i n ASN 383 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 3a3i h GLU 384 N 1.65 0.45 0.00 3.52 4.57 -1.20 -0.72 114.58 122.84 3a3i h GLU 384 Ca 0.21 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 3a3i h GLU 384 Cb 1.89 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 30.38 3a3i h GLU 384 CO 0.50 0.30 -0.04 -0.44 -1.18 0.00 0.00 179.01 178.15 3a3i h ASP 385 N 0.46 0.00 0.00 1.04 3.32 -1.87 -0.79 116.42 118.58 3a3i h ASP 385 Ca 0.50 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.26 3a3i h ASP 385 Cb 1.18 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.67 3a3i h ASP 385 CO -0.22 0.04 -2.11 0.29 -1.72 0.00 0.00 179.24 175.52 3a3i n LYS 386 N -3.82 0.72 0.06 3.56 5.02 -0.57 -4.67 118.16 118.46 3a3i n LYS 386 Ca -0.03 0.09 -0.14 0.00 -2.02 0.00 0.00 58.31 56.21 3a3i n LYS 386 Cb 0.13 -1.40 -0.14 0.00 -0.02 0.00 0.00 35.03 33.61 3a3i n LYS 386 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3a3i h LEU 387 N 0.00 0.27 -1.08 -0.35 3.38 -1.09 -3.48 115.31 112.96 3a3i h LEU 387 Ca -0.44 -0.35 -0.51 0.00 0.09 0.00 0.00 57.88 56.67 3a3i h LEU 387 Cb 1.75 -0.09 -0.12 0.00 0.09 0.00 0.00 40.66 42.29 3a3i h LEU 387 CO -0.05 1.29 -0.80 1.41 0.09 0.00 0.00 178.44 180.38 3a3i n HIS 388 N -3.39 -2.01 0.81 1.13 8.25 -0.31 -4.88 115.22 114.81 3a3i n HIS 388 Ca -0.12 0.85 0.12 0.00 -0.26 0.00 0.00 57.72 58.31 3a3i n HIS 388 Cb 1.02 -3.49 0.16 0.00 1.12 0.00 0.00 29.99 28.80 3a3i n HIS 388 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3a3i n LEU 389 N -4.53 0.60 -0.25 2.41 4.77 -1.26 -4.30 117.00 114.44 3a3i n LEU 389 Ca 0.04 0.02 -0.01 0.00 -0.03 0.00 0.00 56.01 56.03 3a3i n LEU 389 Cb 0.52 -0.19 0.20 0.00 -2.33 0.00 0.00 43.42 41.61 3a3i n LEU 389 CO 0.80 0.08 1.21 0.24 -1.33 0.00 0.00 177.39 178.39 3a3i h MET 390 N 0.00 1.06 0.00 3.23 2.86 -1.90 -0.81 114.93 119.37 3a3i h MET 390 Ca 0.00 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3a3i h MET 390 Cb 0.60 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.04 3a3i h MET 390 CO 0.00 0.74 0.00 -0.85 1.06 0.00 0.00 176.91 177.86 3a3i n GLU 391 N -4.38 0.00 0.11 1.72 0.28 -1.26 -2.48 120.64 114.63 3a3i n GLU 391 Ca 0.08 0.18 0.12 0.00 -0.16 0.00 0.00 57.16 57.39 3a3i n GLU 391 Cb 0.06 -1.50 0.25 0.00 1.43 0.00 0.00 31.44 31.68 3a3i n GLU 391 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 3a3i h THR 392 N 0.00 0.00 -3.89 3.84 1.35 -1.38 -3.47 112.91 109.36 3a3i h THR 392 Ca 0.00 -0.64 -0.52 0.00 -0.55 0.00 0.00 66.41 64.70 3a3i h THR 392 Cb 0.32 1.46 0.06 0.00 -1.73 0.00 0.00 68.15 68.26 3a3i h THR 392 CO 0.00 0.00 0.61 -0.36 -0.25 0.00 0.00 175.52 175.52 3a3i s PHE 393 N -3.17 3.05 0.53 4.73 0.08 -1.04 -3.32 117.98 118.85 3a3i s PHE 393 Ca 0.07 1.44 -0.22 0.00 0.12 0.00 0.00 56.93 58.35 3a3i s PHE 393 Cb 0.11 -3.63 -0.06 0.00 -0.57 0.00 0.00 43.02 38.87 3a3i s PHE 393 CO 0.67 -1.76 1.25 -2.30 -0.10 0.00 0.00 175.22 172.97 3a3i n PRO 394 N 0.68 1.54 -4.50 0.24 -0.02 -1.25 -4.76 135.00 126.93 3a3i n PRO 394 Ca 0.01 0.57 -0.33 0.00 -2.02 0.00 0.00 63.50 61.72 3a3i n PRO 394 Cb 0.43 -2.43 -0.14 0.00 -0.02 0.00 0.00 33.50 31.33 3a3i n PRO 394 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3a3i s ILE 395 N -1.32 3.04 0.10 4.25 1.01 -1.19 -1.62 121.20 125.47 3a3i s ILE 395 Ca 0.71 -0.64 -0.34 0.00 0.00 0.00 0.00 60.65 60.37 3a3i s ILE 395 Cb -0.44 -2.31 -0.13 0.00 0.01 0.00 0.00 42.46 39.60 3a3i s ILE 395 CO 0.50 0.50 1.67 0.00 0.00 0.00 0.00 174.94 177.62 3a3i n ALA 396 N 3.95 1.38 -1.11 9.38 0.00 0.54 -0.76 120.51 133.88 3a3i n ALA 396 Ca -0.18 0.40 -0.04 0.00 0.00 0.00 0.00 53.44 53.61 3a3i n ALA 396 Cb 0.52 -2.41 -0.02 0.00 0.00 0.00 0.00 19.45 17.54 3a3i n ALA 396 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a3i n GLY 397 N 3.72 0.48 1.26 0.00 0.00 -0.80 -0.85 105.19 109.01 3a3i n GLY 397 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3a3i n GLY 397 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3a3i n VAL 398 N -2.30 0.45 -3.80 1.61 0.31 0.06 -4.91 118.33 109.75 3a3i n VAL 398 Ca -0.04 0.15 -0.09 0.00 -0.01 0.00 0.00 64.34 64.35 3a3i n VAL 398 Cb 0.42 -1.29 -0.01 0.00 -0.91 0.00 0.00 33.84 32.05 3a3i n VAL 398 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3a3i n ASP 399 N -3.18 -1.13 0.00 4.52 5.68 -0.85 -4.88 116.55 116.71 3a3i n ASP 399 Ca 0.00 -2.25 0.00 0.00 -0.50 0.00 0.00 54.79 52.04 3a3i n ASP 399 Cb 0.20 2.02 0.00 0.00 -1.14 0.00 0.00 41.12 42.19 3a3i n ASP 399 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a3i n GLY 400 N -0.39 0.97 0.00 6.12 0.00 -1.26 -3.04 105.19 107.60 3a3i n GLY 400 Ca -0.01 -0.74 0.14 0.00 0.00 0.00 0.00 46.02 45.40 3a3i n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a3i n THR 401 N 0.00 0.08 -1.52 2.61 -2.24 -0.64 -2.94 114.28 109.63 3a3i n THR 401 Ca 0.00 0.02 -0.02 0.00 -2.27 0.00 0.00 64.05 61.78 3a3i n THR 401 Cb 0.00 -0.58 0.20 0.00 -2.10 0.00 0.00 70.33 67.85 3a3i n THR 401 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3a3i n ILE 402 N -1.19 2.45 0.15 2.28 -5.35 -1.22 -4.64 119.36 111.85 3a3i n ILE 402 Ca 0.16 -2.95 0.02 0.00 -0.27 0.00 0.00 62.75 59.70 3a3i n ILE 402 Cb 0.18 -0.31 0.20 0.00 -1.74 0.00 0.00 39.64 37.97 3a3i n ILE 402 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3a3i h SER 403 N 1.02 0.00 0.00 7.28 4.64 -1.44 -2.11 113.55 122.94 3a3i h SER 403 Ca 0.16 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 3a3i h SER 403 Cb 1.44 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.51 3a3i h SER 403 CO 0.28 0.53 -0.28 0.61 -0.87 0.00 0.00 176.83 177.10 3a3i n GLY 404 N 0.47 4.49 3.62 -0.77 0.00 -1.26 -3.47 105.19 108.26 3a3i n GLY 404 Ca -0.00 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 3a3i n GLY 404 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3a3i s ARG 405 N -2.67 3.68 0.53 1.61 6.06 -1.21 -4.90 118.95 122.04 3a3i s ARG 405 Ca 0.32 1.37 0.24 0.00 -2.50 0.00 0.00 55.73 55.16 3a3i s ARG 405 Cb 0.30 -4.03 1.44 0.00 0.06 0.00 0.00 34.95 32.72 3a3i s ARG 405 CO -0.02 -1.43 2.12 0.78 -2.50 0.00 0.00 175.30 174.25 3a3i h GLY 406 N 12.02 0.00 2.00 8.12 0.00 -1.95 -0.45 103.07 122.81 3a3i h GLY 406 Ca -0.31 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 3a3i h GLY 406 CO 1.03 0.00 -0.14 -1.33 0.00 0.00 0.00 176.54 176.10 3a3i h GLY 407 N 0.39 0.00 -1.47 4.60 0.00 -1.89 -3.31 103.07 101.39 3a3i h GLY 407 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a3i h GLY 407 CO 0.01 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.59 3a3i n LEU 408 N -3.19 2.83 -1.19 3.11 4.77 -0.19 -3.76 117.00 119.39 3a3i n LEU 408 Ca 0.02 -1.62 0.11 0.00 -0.03 0.00 0.00 56.01 54.49 3a3i n LEU 408 Cb 0.49 -0.19 0.28 0.00 -2.33 0.00 0.00 43.42 41.68 3a3i n LEU 408 CO 0.33 0.65 0.74 2.30 -1.33 0.00 0.00 177.39 180.09 3a3i n ILE 409 N 0.82 0.79 -4.35 -0.08 -6.64 -1.17 -2.40 119.36 106.33 3a3i n ILE 409 Ca 0.13 -0.84 -0.24 0.00 -1.77 0.00 0.00 62.75 60.03 3a3i n ILE 409 Cb 0.43 0.54 -0.08 0.00 -1.44 0.00 0.00 39.64 39.09 3a3i n ILE 409 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 3a3i s SER 410 N -1.11 4.20 0.55 7.28 0.01 -1.26 -4.66 113.70 118.71 3a3i s SER 410 Ca 0.43 -0.82 -0.21 0.00 1.31 0.00 0.00 55.95 56.66 3a3i s SER 410 Cb 0.23 -0.63 -0.06 0.00 0.21 0.00 0.00 66.02 65.77 3a3i s SER 410 CO 0.30 -0.03 1.13 -2.65 0.41 0.00 0.00 173.24 172.40 3a3i n PRO 411 N -0.83 1.28 -0.38 12.44 -0.02 -1.26 -0.18 135.00 146.05 3a3i n PRO 411 Ca -0.06 0.48 0.01 0.00 -2.02 0.00 0.00 63.50 61.91 3a3i n PRO 411 Cb 0.60 -2.30 0.15 0.00 -0.02 0.00 0.00 33.50 31.93 3a3i n PRO 411 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3a3i n PRO 412 N -0.81 2.44 -0.07 0.52 -0.04 -1.26 -4.86 135.00 130.91 3a3i n PRO 412 Ca 0.12 -1.26 -0.21 0.00 -0.04 0.00 0.00 63.50 62.10 3a3i n PRO 412 Cb 0.45 -1.77 -0.12 0.00 -0.04 0.00 0.00 33.50 32.02 3a3i n PRO 412 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3a3i n LEU 413 N 0.20 2.59 -4.69 1.53 4.77 0.74 -4.71 117.00 117.43 3a3i n LEU 413 Ca 0.13 0.12 -0.43 0.00 -0.03 0.00 0.00 56.01 55.80 3a3i n LEU 413 Cb 0.68 -0.99 -0.01 0.00 -2.33 0.00 0.00 43.42 40.77 3a3i n LEU 413 CO 0.15 0.79 0.95 0.55 -1.33 0.00 0.00 177.39 178.49 3a3i n VAL 414 N -3.60 1.68 -1.34 4.08 3.14 -0.74 -1.39 118.33 120.15 3a3i n VAL 414 Ca -0.40 -0.42 -0.12 0.00 -2.96 0.00 0.00 64.34 60.44 3a3i n VAL 414 Cb 0.96 -1.57 -0.05 0.00 -1.06 0.00 0.00 33.84 32.12 3a3i n VAL 414 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3a3i n LYS 415 N 1.02 -1.46 0.07 1.45 5.02 -0.03 -4.72 118.16 119.52 3a3i n LYS 415 Ca 0.07 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 57.25 3a3i n LYS 415 Cb 0.35 -5.19 0.00 0.00 -0.02 0.00 0.00 35.03 30.17 3a3i n LYS 415 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3a3i n ASN 416 N -0.94 0.31 -4.69 4.39 5.15 -0.49 -4.98 115.26 114.00 3a3i n ASN 416 Ca -0.12 0.23 -0.44 0.00 -0.60 0.00 0.00 54.58 53.66 3a3i n ASN 416 Cb 0.55 0.04 -0.03 0.00 -0.53 0.00 0.00 39.78 39.80 3a3i n ASN 416 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3a3i n VAL 417 N -3.20 0.13 -5.15 3.44 0.31 -0.52 -4.53 118.33 108.81 3a3i n VAL 417 Ca 0.00 -0.02 -0.29 0.00 -0.01 0.00 0.00 64.34 64.02 3a3i n VAL 417 Cb 0.00 -1.89 -0.16 0.00 -0.91 0.00 0.00 33.84 30.88 3a3i n VAL 417 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3a3i s ILE 418 N 1.68 1.85 -0.28 2.52 -4.36 -0.76 -0.34 121.20 121.51 3a3i s ILE 418 Ca 0.79 -1.01 -0.23 0.00 -0.26 0.00 0.00 60.65 59.94 3a3i s ILE 418 Cb -0.56 -1.54 0.10 0.00 1.25 0.00 0.00 42.46 41.72 3a3i s ILE 418 CO 0.36 0.51 0.88 0.00 0.24 0.00 0.00 174.94 176.93 3a3i s ALA 419 N -0.56 -1.94 0.09 2.27 0.00 -0.64 -0.66 121.76 120.31 3a3i s ALA 419 Ca 0.09 2.05 -0.29 0.00 0.00 0.00 0.00 51.96 53.81 3a3i s ALA 419 Cb -0.09 -1.39 -0.06 0.00 0.00 0.00 0.00 23.12 21.58 3a3i s ALA 419 CO -0.01 -0.30 0.91 0.21 0.00 0.00 0.00 175.76 176.57 3a3i s LYS 420 N 0.62 4.64 0.37 0.00 2.47 0.81 -3.88 119.74 124.78 3a3i s LYS 420 Ca -0.01 1.35 0.01 0.00 -1.56 0.00 0.00 55.97 55.76 3a3i s LYS 420 Cb -0.05 -3.38 -0.02 0.00 -1.46 0.00 0.00 37.83 32.93 3a3i s LYS 420 CO -0.07 0.22 0.57 0.95 0.16 0.00 0.00 175.35 177.18 3a3i s THR 421 N 0.02 4.62 -0.06 3.43 -4.23 -1.26 -1.35 115.64 116.81 3a3i s THR 421 Ca 0.45 -0.57 -0.03 0.00 -1.18 0.00 0.00 61.69 60.35 3a3i s THR 421 Cb -0.22 -3.68 0.03 0.00 1.34 0.00 0.00 72.50 69.97 3a3i s THR 421 CO 0.28 -0.42 0.15 -0.83 -0.54 0.00 0.00 174.62 173.25 3a3i s GLY 422 N -4.11 -0.06 -0.02 3.99 0.00 -0.37 -3.50 107.32 103.26 3a3i s GLY 422 Ca 0.43 0.60 -0.01 0.00 0.00 0.00 0.00 44.72 45.74 3a3i s GLY 422 CO 0.36 0.80 0.05 -0.56 0.00 0.00 0.00 173.10 173.75 3a3i s SER 423 N 0.84 -0.02 0.27 1.64 0.01 -1.26 -0.15 113.70 115.03 3a3i s SER 423 Ca -0.06 0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.31 3a3i s SER 423 Cb -0.08 0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.17 3a3i s SER 423 CO -0.04 -0.06 0.24 -0.76 0.41 0.00 0.00 173.24 173.03 3a3i s LEU 424 N 0.42 1.36 -0.18 2.44 1.43 -0.84 -4.78 118.68 118.53 3a3i s LEU 424 Ca -0.03 -1.54 -0.37 0.00 -1.03 0.00 0.00 54.13 51.16 3a3i s LEU 424 Cb -0.05 0.61 -0.14 0.00 0.03 0.00 0.00 46.19 46.64 3a3i s LEU 424 CO -0.01 -0.99 1.80 1.17 0.23 0.00 0.00 176.35 178.55 3a3i n LYS 425 N -0.45 1.65 -0.03 1.70 4.81 -1.26 -0.52 118.16 124.06 3a3i n LYS 425 Ca 0.04 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 3a3i n LYS 425 Cb 0.64 -2.37 0.00 0.00 0.02 0.00 0.00 35.03 33.32 3a3i n LYS 425 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a3i n GLY 426 N 4.27 1.44 3.00 3.14 0.00 -1.25 -4.95 105.19 110.84 3a3i n GLY 426 Ca 0.24 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.03 3a3i n GLY 426 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a3i s VAL 427 N -2.53 0.98 -0.24 1.61 1.01 0.32 -1.33 120.40 120.22 3a3i s VAL 427 Ca 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 3a3i s VAL 427 Cb 0.00 -0.91 0.09 0.00 0.00 0.00 0.00 36.38 35.57 3a3i s VAL 427 CO 0.00 0.32 0.16 -0.31 0.00 0.00 0.00 175.10 175.27 3a3i s TYR 428 N 0.64 0.04 0.17 5.22 2.02 -0.69 -1.99 117.35 122.75 3a3i s TYR 428 Ca -0.12 -0.37 0.09 0.00 -0.37 0.00 0.00 57.07 56.29 3a3i s TYR 428 Cb -0.15 -0.66 -0.04 0.00 -0.40 0.00 0.00 41.96 40.71 3a3i s TYR 428 CO 0.03 -0.70 -0.18 -0.80 -1.57 0.00 0.00 175.55 172.32 3a3i s ASN 429 N 2.20 2.71 0.01 2.29 0.01 0.79 -2.94 114.94 120.01 3a3i s ASN 429 Ca 0.06 -0.86 0.00 0.00 -0.71 0.00 0.00 52.86 51.35 3a3i s ASN 429 Cb -0.16 -0.16 -0.01 0.00 0.41 0.00 0.00 41.25 41.33 3a3i s ASN 429 CO -0.23 -0.03 -0.02 -0.76 -1.51 0.00 0.00 177.10 174.55 3a3i s LEU 430 N -2.67 2.14 -0.11 0.60 1.43 -0.22 -1.24 118.68 118.62 3a3i s LEU 430 Ca 0.16 -0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 52.90 3a3i s LEU 430 Cb -0.06 0.04 0.05 0.00 0.03 0.00 0.00 46.19 46.25 3a3i s LEU 430 CO 0.07 -0.17 0.25 0.00 0.23 0.00 0.00 176.35 176.72 3a3i s ALA 431 N -0.87 -0.56 0.00 4.21 0.00 -0.46 -0.59 121.76 123.48 3a3i s ALA 431 Ca -0.09 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.87 3a3i s ALA 431 Cb -0.06 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.41 3a3i s ALA 431 CO -0.01 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.95 3a3i n GLY 432 N 4.28 -0.84 3.23 0.00 0.00 -0.54 -0.13 105.19 111.19 3a3i n GLY 432 Ca -0.25 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 3a3i n GLY 432 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a3i s PHE 433 N -4.00 0.08 0.20 1.61 0.08 0.16 -1.05 117.98 115.06 3a3i s PHE 433 Ca 0.00 -0.48 -0.23 0.00 0.12 0.00 0.00 56.93 56.34 3a3i s PHE 433 Cb 0.00 0.01 0.05 0.00 -0.57 0.00 0.00 43.02 42.51 3a3i s PHE 433 CO 0.00 -0.58 0.71 0.00 -0.10 0.00 0.00 175.22 175.25 3a3i s MET 434 N -3.84 1.45 -0.18 0.44 0.23 -0.04 -1.83 119.30 115.52 3a3i s MET 434 Ca 0.04 -0.69 -0.09 0.00 -1.03 0.00 0.00 55.69 53.92 3a3i s MET 434 Cb 0.04 0.56 -0.05 0.00 -1.53 0.00 0.00 34.83 33.86 3a3i s MET 434 CO -0.11 -0.65 0.12 0.99 -2.03 0.00 0.00 175.02 173.34 3a3i s THR 435 N -3.73 5.37 0.49 3.16 2.01 -1.26 0.53 115.64 122.21 3a3i s THR 435 Ca 0.06 0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.21 3a3i s THR 435 Cb -0.03 -3.43 0.10 0.00 0.01 0.00 0.00 72.50 69.15 3a3i s THR 435 CO -0.03 0.47 0.67 -0.46 -0.69 0.00 0.00 174.62 174.59 3a3i n ASN 436 N 3.24 0.62 0.31 3.53 0.23 -0.12 -4.88 115.26 118.19 3a3i n ASN 436 Ca -0.17 -1.59 0.18 0.00 -0.53 0.00 0.00 54.58 52.47 3a3i n ASN 436 Cb 0.53 -0.46 0.99 0.00 -2.08 0.00 0.00 39.78 38.75 3a3i n ASN 436 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3a3i h ALA 437 N -0.91 1.20 -0.01 -2.53 0.00 -1.54 -0.73 119.26 114.75 3a3i h ALA 437 Ca -0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3a3i h ALA 437 Cb 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3a3i h ALA 437 CO 0.21 0.03 -0.10 0.54 0.00 0.00 0.00 179.25 179.93 3a3i n ARG 438 N -3.41 1.20 -0.95 0.00 1.74 -1.26 -4.93 116.66 109.05 3a3i n ARG 438 Ca -0.02 -0.64 0.00 0.00 -0.77 0.00 0.00 57.85 56.42 3a3i n ARG 438 Cb 0.13 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 3a3i n ARG 438 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a3i n GLY 439 N 1.23 0.47 3.89 -0.13 0.00 -0.28 -5.07 105.19 105.30 3a3i n GLY 439 Ca 0.16 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 3a3i n GLY 439 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a3i s GLU 440 N -0.96 3.73 -0.05 1.61 2.02 -1.26 -4.79 118.70 119.00 3a3i s GLU 440 Ca 0.00 0.15 -0.24 0.00 0.02 0.00 0.00 54.97 54.91 3a3i s GLU 440 Cb 0.00 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.52 3a3i s GLU 440 CO 0.00 0.30 0.71 0.15 0.02 0.00 0.00 175.26 176.44 3a3i s LYS 441 N -3.02 4.44 -0.14 1.61 -0.14 -1.26 -0.94 119.74 120.29 3a3i s LYS 441 Ca 0.46 0.91 -0.00 0.00 -1.36 0.00 0.00 55.97 55.97 3a3i s LYS 441 Cb -0.11 -3.43 -0.01 0.00 -1.68 0.00 0.00 37.83 32.59 3a3i s LYS 441 CO 0.24 0.10 -0.13 0.08 -0.76 0.00 0.00 175.35 174.88 3a3i s VAL 442 N 0.67 2.96 0.01 3.17 1.01 0.19 -1.10 120.40 127.30 3a3i s VAL 442 Ca 0.38 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 3a3i s VAL 442 Cb -0.18 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 3a3i s VAL 442 CO 0.19 0.52 0.29 0.00 0.00 0.00 0.00 175.10 176.09 3a3i s ALA 443 N 0.53 3.83 0.06 5.51 0.00 -0.43 -0.86 121.76 130.40 3a3i s ALA 443 Ca -0.09 -0.54 -0.12 0.00 0.00 0.00 0.00 51.96 51.22 3a3i s ALA 443 Cb -0.16 -2.10 0.01 0.00 0.00 0.00 0.00 23.12 20.87 3a3i s ALA 443 CO 0.04 0.63 0.27 -0.59 0.00 0.00 0.00 175.76 176.11 3a3i s PHE 444 N -1.28 -0.03 -0.04 0.00 -0.12 -0.21 -0.64 117.98 115.66 3a3i s PHE 444 Ca 0.27 -0.22 0.00 0.00 -0.05 0.00 0.00 56.93 56.94 3a3i s PHE 444 Cb -0.13 0.06 0.03 0.00 -0.63 0.00 0.00 43.02 42.34 3a3i s PHE 444 CO 0.15 -0.53 -0.01 0.08 -0.05 0.00 0.00 175.22 174.87 3a3i s VAL 445 N -3.04 0.33 -0.22 -2.49 1.01 -0.00 -1.47 120.40 114.52 3a3i s VAL 445 Ca -0.02 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.02 3a3i s VAL 445 Cb 0.01 -0.42 0.05 0.00 0.00 0.00 0.00 36.38 36.02 3a3i s VAL 445 CO -0.06 0.20 -0.08 -1.58 0.00 0.00 0.00 175.10 173.57 3a3i s GLN 446 N 1.24 1.89 -0.20 2.72 0.74 0.24 -1.28 119.66 125.02 3a3i s GLN 446 Ca -0.06 -0.98 -0.03 0.00 0.05 0.00 0.00 55.36 54.34 3a3i s GLN 446 Cb -0.13 -2.55 -0.01 0.00 1.10 0.00 0.00 33.01 31.41 3a3i s GLN 446 CO -0.02 -0.52 -0.05 -0.06 -0.55 0.00 0.00 175.29 174.09 3a3i s PHE 447 N 1.35 2.95 -0.12 1.67 0.08 0.12 -1.05 117.98 122.99 3a3i s PHE 447 Ca -0.04 -0.76 0.03 0.00 0.12 0.00 0.00 56.93 56.28 3a3i s PHE 447 Cb -0.18 -2.05 0.00 0.00 -0.57 0.00 0.00 43.02 40.22 3a3i s PHE 447 CO -0.07 -0.40 -0.22 0.42 -0.10 0.00 0.00 175.22 174.85 3a3i s ILE 448 N 1.13 2.21 0.31 0.64 1.01 -1.15 -0.21 121.20 125.13 3a3i s ILE 448 Ca 0.02 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.75 3a3i s ILE 448 Cb -0.15 -1.87 -0.06 0.00 0.01 0.00 0.00 42.46 40.40 3a3i s ILE 448 CO -0.01 0.55 0.05 0.20 0.00 0.00 0.00 174.94 175.73 3a3i s ASN 449 N 0.48 2.25 -1.17 3.58 0.01 0.15 -1.71 114.94 118.54 3a3i s ASN 449 Ca -0.14 -1.35 0.00 0.00 -0.71 0.00 0.00 52.86 50.66 3a3i s ASN 449 Cb -0.17 -0.06 0.00 0.00 0.41 0.00 0.00 41.25 41.43 3a3i s ASN 449 CO 0.05 -0.59 0.00 0.61 -1.51 0.00 0.00 177.10 175.67 3a3i n GLY 450 N -0.63 1.22 3.64 0.66 0.00 -0.95 -0.73 105.19 108.40 3a3i n GLY 450 Ca -0.03 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 3a3i n GLY 450 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a3i s TYR 451 N -2.39 3.25 -0.09 1.61 5.04 -0.44 -3.48 117.35 120.84 3a3i s TYR 451 Ca 0.00 1.12 -0.04 0.00 -2.44 0.00 0.00 57.07 55.71 3a3i s TYR 451 Cb 0.00 -3.27 0.05 0.00 0.35 0.00 0.00 41.96 39.09 3a3i s TYR 451 CO 0.00 -0.54 0.20 0.45 -1.34 0.00 0.00 175.55 174.32 3a3i s SER 452 N 1.46 0.11 0.00 4.32 0.15 -1.26 -3.85 113.70 114.62 3a3i s SER 452 Ca 0.38 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.45 3a3i s SER 452 Cb -0.14 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 3a3i s SER 452 CO 0.10 -0.19 0.79 0.35 1.20 0.00 0.00 173.24 175.49 3a3i n THR 453 N 4.65 0.62 -2.86 6.45 -2.24 -1.26 -4.83 114.28 114.80 3a3i n THR 453 Ca -0.18 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 3a3i n THR 453 Cb 0.51 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 3a3i n THR 453 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a3i n GLY 454 N -0.31 1.41 3.93 3.38 0.00 -1.26 -4.82 105.19 107.52 3a3i n GLY 454 Ca 0.00 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 3a3i n GLY 454 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3a3i s ASP 455 N 1.33 3.32 0.14 1.61 -4.77 -1.26 -4.95 116.67 112.08 3a3i s ASP 455 Ca 0.00 0.27 -0.30 0.00 -3.30 0.00 0.00 52.55 49.22 3a3i s ASP 455 Cb 0.00 -0.38 -0.05 0.00 -1.09 0.00 0.00 42.92 41.40 3a3i s ASP 455 CO 0.00 -2.61 1.56 -0.07 0.70 0.00 0.00 175.17 174.76 3a3i h LEU 456 N -1.52 -1.62 0.00 2.11 4.07 -2.03 -2.67 115.31 113.65 3a3i h LEU 456 Ca -0.44 0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.75 3a3i h LEU 456 Cb 1.24 0.68 0.00 0.00 1.08 0.00 0.00 40.66 43.67 3a3i h LEU 456 CO 0.41 -0.39 0.00 -0.62 -1.08 0.00 0.00 178.44 176.75 3a3i n GLU 457 N -5.40 0.85 -2.56 1.13 4.71 -1.26 -4.90 120.64 113.21 3a3i n GLU 457 Ca -0.02 0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 56.76 3a3i n GLU 457 Cb 0.35 -1.48 -0.04 0.00 -1.01 0.00 0.00 31.44 29.26 3a3i n GLU 457 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 3a3i s SER 458 N -1.97 6.84 -0.17 1.62 0.01 -1.01 -4.99 113.70 114.02 3a3i s SER 458 Ca 0.39 2.04 -0.29 0.00 1.31 0.00 0.00 55.95 59.40 3a3i s SER 458 Cb 0.18 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.77 3a3i s SER 458 CO 0.30 -0.44 2.09 -1.59 0.41 0.00 0.00 173.24 174.02 3a3i s LYS 459 N -2.40 3.41 0.28 12.44 0.00 -1.26 -4.96 119.74 127.25 3a3i s LYS 459 Ca 0.56 2.08 -0.30 0.00 0.00 0.00 0.00 55.97 58.32 3a3i s LYS 459 Cb -0.22 -4.29 -0.11 0.00 0.00 0.00 0.00 37.83 33.21 3a3i s LYS 459 CO 0.28 -1.79 1.50 0.99 0.00 0.00 0.00 175.35 176.33 3a3i s THR 460 N 7.17 2.37 -0.24 3.79 2.01 -1.26 -4.93 115.64 124.56 3a3i s THR 460 Ca 0.94 0.32 -0.27 0.00 0.31 0.00 0.00 61.69 63.00 3a3i s THR 460 Cb -0.34 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 68.97 3a3i s THR 460 CO 0.36 0.06 0.94 -0.54 -0.69 0.00 0.00 174.62 174.75 3a3i s LYS 461 N -0.68 4.22 0.01 4.92 1.02 -1.26 -4.94 119.74 123.03 3a3i s LYS 461 Ca 0.60 1.16 0.22 0.00 0.02 0.00 0.00 55.97 57.97 3a3i s LYS 461 Cb -0.44 -3.64 0.02 0.00 -0.52 0.00 0.00 37.83 33.24 3a3i s LYS 461 CO 0.48 -0.58 1.04 0.54 -0.92 0.00 0.00 175.35 175.91 3a3i n ARG 462 N 6.18 0.09 -0.13 1.68 1.74 -1.26 -4.36 116.66 120.60 3a3i n ARG 462 Ca 0.09 -0.01 -0.04 0.00 -0.77 0.00 0.00 57.85 57.12 3a3i n ARG 462 Cb 0.47 -1.52 0.03 0.00 -1.02 0.00 0.00 32.46 30.42 3a3i n ARG 462 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a3i h ALA 463 N 2.85 0.36 -0.92 7.54 0.00 -1.99 0.15 119.26 127.25 3a3i h ALA 463 Ca 0.00 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3a3i h ALA 463 Cb 0.57 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3a3i h ALA 463 CO 0.00 -0.41 0.60 -1.35 0.00 0.00 0.00 179.25 178.09 3a3i h PRO 464 N 0.07 1.10 -0.52 0.00 0.11 -1.83 -1.81 132.00 129.11 3a3i h PRO 464 Ca 0.21 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.23 3a3i h PRO 464 Cb 0.31 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 3a3i h PRO 464 CO -0.39 0.73 0.22 1.25 -0.21 0.00 0.00 178.00 179.60 3a3i h LEU 465 N 1.13 0.70 -0.37 2.35 5.85 -1.38 -1.30 115.31 122.29 3a3i h LEU 465 Ca 0.37 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.97 3a3i h LEU 465 Cb 0.05 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 3a3i h LEU 465 CO -0.12 0.66 0.16 0.58 -0.34 0.00 0.00 178.44 179.38 3a3i h VAL 466 N 0.70 0.94 -0.39 1.05 2.07 -0.18 -0.87 116.25 119.57 3a3i h VAL 466 Ca 0.17 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.53 3a3i h VAL 466 Cb 0.17 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3a3i h VAL 466 CO -0.02 0.06 0.04 1.56 0.02 0.00 0.00 177.57 179.23 3a3i h GLN 467 N 0.33 0.67 -0.14 1.57 4.20 -1.25 0.12 115.11 120.61 3a3i h GLN 467 Ca 0.16 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3a3i h GLN 467 Cb 0.10 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3a3i h GLN 467 CO -0.14 0.74 0.09 0.35 -0.67 0.00 0.00 178.83 179.20 3a3i h PHE 468 N 0.50 0.19 -0.22 2.96 3.57 -1.03 -0.97 116.94 121.94 3a3i h PHE 468 Ca 0.12 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3a3i h PHE 468 Cb 0.41 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3a3i h PHE 468 CO 0.03 0.15 0.02 0.93 -2.23 0.00 0.00 178.31 177.22 3a3i h GLU 469 N 0.17 0.37 -0.70 1.11 5.08 -0.98 0.13 114.58 119.77 3a3i h GLU 469 Ca 0.05 -0.11 0.14 0.00 -1.00 0.00 0.00 59.36 58.44 3a3i h GLU 469 Cb 0.02 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.13 3a3i h GLU 469 CO -0.01 0.53 0.19 -0.09 -1.00 0.00 0.00 179.01 178.63 3a3i h ARG 470 N 0.16 0.30 -0.17 2.33 2.43 -0.66 -0.83 114.38 117.93 3a3i h ARG 470 Ca 0.07 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3a3i h ARG 470 Cb 0.35 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3a3i h ARG 470 CO 0.01 0.20 -0.06 -0.91 -1.51 0.00 0.00 179.97 177.69 3a3i h ASN 471 N 0.31 0.35 -0.30 -3.80 2.35 -0.85 -2.18 115.58 111.46 3a3i h ASN 471 Ca 0.38 -0.39 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3a3i h ASN 471 Cb 0.61 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 3a3i h ASN 471 CO -0.45 0.66 0.12 0.25 -1.65 0.00 0.00 177.43 176.36 3a3i h LEU 472 N 0.05 0.42 -0.70 1.61 5.85 -0.28 -0.44 115.31 121.82 3a3i h LEU 472 Ca 0.04 -0.17 -0.14 0.00 0.84 0.00 0.00 57.88 58.46 3a3i h LEU 472 Cb 0.51 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3a3i h LEU 472 CO 0.02 0.47 -0.61 1.88 -0.34 0.00 0.00 178.44 179.85 3a3i h TYR 473 N 0.34 0.17 -0.54 1.25 0.05 -1.22 -0.81 116.97 116.21 3a3i h TYR 473 Ca 0.10 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3a3i h TYR 473 Cb 0.18 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 37.87 3a3i h TYR 473 CO -0.01 0.71 0.35 -0.91 -1.05 0.00 0.00 178.16 177.25 3a3i h ASN 474 N 0.10 0.63 -0.62 3.88 2.35 -1.27 0.13 115.58 120.78 3a3i h ASN 474 Ca -0.01 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 3a3i h ASN 474 Cb 1.11 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 39.29 3a3i h ASN 474 CO 0.09 0.48 0.27 -0.33 -1.65 0.00 0.00 177.43 176.28 3a3i h GLU 475 N 0.73 0.94 -0.18 0.81 4.39 -0.62 -1.19 114.58 119.48 3a3i h GLU 475 Ca 0.20 -0.15 -0.15 0.00 0.34 0.00 0.00 59.36 59.60 3a3i h GLU 475 Cb -0.06 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 3a3i h GLU 475 CO -0.04 0.76 -0.53 -0.07 -1.16 0.00 0.00 179.01 177.97 3a3i h LEU 476 N 0.93 0.56 -0.56 1.33 3.38 -0.90 0.10 115.31 120.15 3a3i h LEU 476 Ca 0.22 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3a3i h LEU 476 Cb 0.17 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3a3i h LEU 476 CO -0.02 0.99 0.34 0.22 0.09 0.00 0.00 178.44 180.06 3a3i h TYR 477 N 0.40 0.64 0.00 1.13 3.20 -0.17 -3.31 116.97 118.85 3a3i h TYR 477 Ca 0.01 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.78 3a3i h TYR 477 Cb 1.06 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 3a3i h TYR 477 CO 0.04 0.37 -0.80 0.87 -1.64 0.00 0.00 178.16 177.00 3a3i h LYS 478 N 0.68 0.00 0.00 1.82 1.57 -1.06 -1.24 116.57 118.34 3a3i h LYS 478 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3a3i h LYS 478 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3a3i h LYS 478 CO -0.09 0.41 0.00 0.98 -0.57 0.00 0.00 179.45 180.18