#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gaa n ILE 5 N 0.00 3.54 -2.78 3.17 -0.00 -1.26 -5.02 119.36 117.01 3gaa n ILE 5 Ca 0.00 -5.28 -0.22 0.00 -0.00 0.00 0.00 62.75 57.25 3gaa n ILE 5 Cb 0.00 -2.36 0.03 0.00 -0.00 0.00 0.00 39.64 37.31 3gaa n ILE 5 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3gaa s MET 6 N -1.64 2.76 -0.24 0.38 0.23 -1.26 -5.09 119.30 114.44 3gaa s MET 6 Ca 0.30 -0.65 -0.09 0.00 -1.03 0.00 0.00 55.69 54.22 3gaa s MET 6 Cb -0.04 -2.51 -0.04 0.00 -1.53 0.00 0.00 34.83 30.71 3gaa s MET 6 CO -0.08 -0.53 0.11 0.08 -2.03 0.00 0.00 175.02 172.57 3gaa s VAL 7 N -2.68 4.84 -0.19 5.16 1.01 -1.26 -5.09 120.40 122.18 3gaa s VAL 7 Ca 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.48 3gaa s VAL 7 Cb -0.10 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 3gaa s VAL 7 CO 0.38 0.35 -0.04 0.21 0.00 0.00 0.00 175.10 176.00 3gaa s ASN 8 N 1.26 4.49 0.31 3.32 3.84 -1.26 -5.08 114.94 121.82 3gaa s ASN 8 Ca 0.06 -0.29 -0.14 0.00 0.21 0.00 0.00 52.86 52.70 3gaa s ASN 8 Cb -0.14 -1.75 -0.08 0.00 -0.55 0.00 0.00 41.25 38.72 3gaa s ASN 8 CO 0.05 0.05 0.71 -0.54 -2.79 0.00 0.00 177.10 174.58 3gaa s LYS 9 N 1.04 3.95 0.48 0.43 -0.14 -1.26 -4.99 119.74 119.25 3gaa s LYS 9 Ca 0.01 0.59 0.27 0.00 -1.36 0.00 0.00 55.97 55.47 3gaa s LYS 9 Cb -0.15 -2.46 0.73 0.00 -1.68 0.00 0.00 37.83 34.27 3gaa s LYS 9 CO 0.00 0.17 1.75 0.87 -0.76 0.00 0.00 175.35 177.38 3gaa h LYS 10 N 2.22 0.00 0.00 1.68 1.79 -2.02 -3.00 116.57 117.24 3gaa h LYS 10 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 3gaa h LYS 10 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 3gaa h LYS 10 CO 0.66 0.03 -0.48 0.00 -1.08 0.00 0.00 179.45 178.57 3gaa h ALA 11 N 1.97 0.70 0.00 3.86 0.00 -2.05 -3.37 119.26 120.37 3gaa h ALA 11 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gaa h ALA 11 Cb 0.83 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3gaa h ALA 11 CO 0.00 0.00 -0.39 -1.13 0.00 0.00 0.00 179.25 177.73 3gaa n SER 12 N -2.34 1.84 -0.11 0.00 3.41 -1.13 -4.73 113.62 110.56 3gaa n SER 12 Ca 0.03 -3.70 -0.10 0.00 -0.26 0.00 0.00 58.87 54.84 3gaa n SER 12 Cb 0.47 -0.50 -0.02 0.00 -0.26 0.00 0.00 64.21 63.89 3gaa n SER 12 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3gaa h GLU 13 N 0.77 0.52 0.00 4.33 5.08 -1.73 -2.00 114.58 121.55 3gaa h GLU 13 Ca -0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3gaa h GLU 13 Cb 1.01 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3gaa h GLU 13 CO 0.00 0.58 0.14 0.66 -1.00 0.00 0.00 179.01 179.40 3gaa h SER 14 N 0.36 0.00 0.00 1.42 4.64 -1.88 -2.11 113.55 115.99 3gaa h SER 14 Ca 0.10 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.14 3gaa h SER 14 Cb 0.30 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.34 3gaa h SER 14 CO 0.00 0.00 -2.06 1.67 -0.87 0.00 0.00 176.83 175.57 3gaa n GLN 15 N -2.37 0.81 0.03 4.77 0.00 -0.83 -1.41 117.38 118.39 3gaa n GLN 15 Ca -0.02 0.07 0.04 0.00 -0.00 0.00 0.00 57.00 57.10 3gaa n GLN 15 Cb 0.18 -1.38 0.45 0.00 0.00 0.00 0.00 30.24 29.49 3gaa n GLN 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3gaa h VAL 16 N 0.00 1.09 -0.17 1.69 2.07 -1.18 -3.32 116.25 116.44 3gaa h VAL 16 Ca -0.42 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3gaa h VAL 16 Cb 1.73 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 3gaa h VAL 16 CO -0.04 0.09 0.00 0.23 0.02 0.00 0.00 177.57 177.87 3gaa n MET 17 N -4.48 1.83 -2.88 1.57 2.81 -0.81 -4.99 117.12 110.16 3gaa n MET 17 Ca 0.02 -1.78 -0.17 0.00 -1.81 0.00 0.00 57.70 53.96 3gaa n MET 17 Cb 0.06 -1.36 -0.00 0.00 -0.71 0.00 0.00 33.22 31.21 3gaa n MET 17 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3gaa n GLU 18 N 1.02 -2.93 -1.08 0.03 -0.58 -1.20 -4.84 120.64 111.06 3gaa n GLU 18 Ca 0.13 0.54 -0.14 0.00 -0.42 0.00 0.00 57.16 57.26 3gaa n GLU 18 Cb 0.47 -5.19 0.23 0.00 -0.57 0.00 0.00 31.44 26.37 3gaa n GLU 18 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3gaa n LEU 19 N -3.27 6.09 0.09 -4.62 0.00 -0.50 -4.66 117.00 110.13 3gaa n LEU 19 Ca -0.08 -3.49 -0.13 0.00 0.00 0.00 0.00 56.01 52.31 3gaa n LEU 19 Cb 0.58 -0.77 -0.11 0.00 0.00 0.00 0.00 43.42 43.11 3gaa n LEU 19 CO 0.33 0.99 0.05 -0.08 0.00 0.00 0.00 177.39 178.68 3gaa h GLU 20 N 1.56 0.22 -1.02 1.96 4.57 -1.82 -2.64 114.58 117.41 3gaa h GLU 20 Ca 0.44 -0.33 0.27 0.00 -1.18 0.00 0.00 59.36 58.56 3gaa h GLU 20 Cb 2.49 0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 31.14 3gaa h GLU 20 CO 0.87 1.13 0.69 0.87 -1.18 0.00 0.00 179.01 181.39 3gaa h LYS 21 N 0.07 0.22 -0.66 1.92 6.56 -1.68 -3.03 116.57 119.98 3gaa h LYS 21 Ca -0.09 -0.01 0.07 0.00 -1.06 0.00 0.00 60.65 59.55 3gaa h LYS 21 Cb 1.84 -0.05 -0.06 0.00 -0.57 0.00 0.00 32.23 33.39 3gaa h LYS 21 CO 0.18 0.14 0.35 -0.09 -2.06 0.00 0.00 179.45 177.97 3gaa h ARG 22 N 0.22 0.61 -1.09 3.15 2.43 -1.79 -1.91 114.38 116.01 3gaa h ARG 22 Ca 0.53 -0.04 -0.59 0.00 -0.81 0.00 0.00 59.98 59.08 3gaa h ARG 22 Cb 1.67 -0.14 -0.26 0.00 -0.42 0.00 0.00 29.97 30.82 3gaa h ARG 22 CO -0.15 0.41 0.76 0.27 -1.51 0.00 0.00 179.97 179.74 3gaa n ASN 23 N -4.83 6.87 -3.71 -3.80 0.23 -1.14 -4.82 115.26 104.07 3gaa n ASN 23 Ca 0.09 -3.61 -0.14 0.00 -0.53 0.00 0.00 54.58 50.38 3gaa n ASN 23 Cb 0.20 -0.97 -0.14 0.00 -2.08 0.00 0.00 39.78 36.79 3gaa n ASN 23 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 3gaa s TYR 24 N -3.35 -0.25 -1.26 -2.53 2.02 -0.72 -4.94 117.35 106.33 3gaa s TYR 24 Ca 0.57 0.67 -0.10 0.00 -0.37 0.00 0.00 57.07 57.85 3gaa s TYR 24 Cb 0.45 -0.09 0.18 0.00 -0.40 0.00 0.00 41.96 42.10 3gaa s TYR 24 CO 0.01 -0.24 1.78 0.09 -1.57 0.00 0.00 175.55 175.61 3gaa n ASN 25 N 4.69 5.20 -3.61 2.29 3.02 -0.83 -4.79 115.26 121.24 3gaa n ASN 25 Ca -0.17 -3.11 -0.21 0.00 -0.03 0.00 0.00 54.58 51.06 3gaa n ASN 25 Cb 0.51 -1.48 0.06 0.00 -0.61 0.00 0.00 39.78 38.26 3gaa n ASN 25 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3gaa n ASN 26 N 3.94 -2.56 -4.79 6.41 5.15 -1.26 -4.35 115.26 117.80 3gaa n ASN 26 Ca 0.38 -0.70 -0.33 0.00 -0.60 0.00 0.00 54.58 53.33 3gaa n ASN 26 Cb 0.37 -4.57 0.02 0.00 -0.53 0.00 0.00 39.78 35.07 3gaa n ASN 26 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3gaa s PRO 27 N -5.86 3.16 -0.16 1.20 0.04 -1.26 -3.88 135.00 128.24 3gaa s PRO 27 Ca 0.15 1.31 -0.14 0.00 0.04 0.00 0.00 61.00 62.35 3gaa s PRO 27 Cb -0.07 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 3gaa s PRO 27 CO 0.77 -0.95 0.32 0.54 0.04 0.00 0.00 177.00 177.72 3gaa s VAL 28 N -2.34 5.28 -0.24 -0.36 0.11 -0.13 -1.51 120.40 121.22 3gaa s VAL 28 Ca 0.66 0.61 -0.07 0.00 -2.93 0.00 0.00 61.98 60.24 3gaa s VAL 28 Cb -0.18 -3.66 -0.03 0.00 -1.53 0.00 0.00 36.38 30.98 3gaa s VAL 28 CO 0.37 0.37 0.06 -0.69 -3.33 0.00 0.00 175.10 171.88 3gaa s VAL 29 N 0.58 4.32 -0.12 2.04 1.01 0.01 -1.23 120.40 127.01 3gaa s VAL 29 Ca 0.18 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 3gaa s VAL 29 Cb -0.13 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 3gaa s VAL 29 CO 0.05 0.35 0.02 -0.76 0.00 0.00 0.00 175.10 174.77 3gaa s LEU 30 N 1.48 3.66 0.05 3.92 1.43 -0.05 -0.00 118.68 129.17 3gaa s LEU 30 Ca 0.06 0.11 0.09 0.00 -1.03 0.00 0.00 54.13 53.36 3gaa s LEU 30 Cb -0.15 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 3gaa s LEU 30 CO 0.03 0.30 -0.24 0.00 0.23 0.00 0.00 176.35 176.67 3gaa s GLY 32 N -1.30 0.17 0.40 0.00 0.00 -0.65 -1.10 107.32 104.85 3gaa s GLY 32 Ca 0.10 0.24 0.08 0.00 0.00 0.00 0.00 44.72 45.14 3gaa s GLY 32 CO 0.02 1.24 0.02 -1.36 0.00 0.00 0.00 173.10 173.02 3gaa s PHE 33 N 1.91 2.51 -1.21 1.90 0.08 -1.26 -1.24 117.98 120.67 3gaa s PHE 33 Ca 0.01 -0.62 -0.08 0.00 0.12 0.00 0.00 56.93 56.36 3gaa s PHE 33 Cb -0.12 -1.73 0.21 0.00 -0.57 0.00 0.00 43.02 40.81 3gaa s PHE 33 CO -0.03 0.44 1.72 0.00 -0.10 0.00 0.00 175.22 177.25 3gaa n ALA 34 N -0.98 5.21 -1.33 5.36 0.00 -1.14 -3.91 120.51 123.73 3gaa n ALA 34 Ca -0.04 -4.47 0.00 0.00 0.00 0.00 0.00 53.44 48.93 3gaa n ALA 34 Cb 0.66 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 17.32 3gaa n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gaa n GLY 35 N 2.43 1.22 0.00 0.00 0.00 -1.26 -4.25 105.19 103.32 3gaa n GLY 35 Ca 0.35 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3gaa n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gaa n SER 36 N 0.00 0.00 -4.69 1.61 3.41 -1.26 -4.75 113.62 107.94 3gaa n SER 36 Ca 0.00 0.62 -0.31 0.00 -0.26 0.00 0.00 58.87 58.92 3gaa n SER 36 Cb 0.00 -0.31 0.15 0.00 -0.26 0.00 0.00 64.21 63.79 3gaa n SER 36 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3gaa s THR 37 N -1.61 2.44 -2.27 6.66 -4.23 -1.26 -4.94 115.64 110.43 3gaa s THR 37 Ca 0.00 0.14 0.22 0.00 -1.18 0.00 0.00 61.69 60.88 3gaa s THR 37 Cb 0.00 -2.31 0.51 0.00 1.34 0.00 0.00 72.50 72.04 3gaa s THR 37 CO 0.00 -0.18 1.64 -0.81 -0.54 0.00 0.00 174.62 174.73 3gaa n PRO 38 N -4.05 1.58 0.14 3.99 -0.04 -1.26 -4.65 135.00 130.71 3gaa n PRO 38 Ca 0.11 -0.87 -0.01 0.00 -0.04 0.00 0.00 63.50 62.69 3gaa n PRO 38 Cb 0.52 -1.40 0.20 0.00 -0.04 0.00 0.00 33.50 32.78 3gaa n PRO 38 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3gaa h THR 39 N 1.84 1.41 0.06 0.52 1.35 -1.92 -1.91 112.91 114.27 3gaa h THR 39 Ca 0.00 -1.98 0.01 0.00 -0.55 0.00 0.00 66.41 63.89 3gaa h THR 39 Cb 0.40 2.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 3gaa h THR 39 CO 0.00 0.57 -0.09 1.23 -0.25 0.00 0.00 175.52 176.98 3gaa h GLY 40 N 1.73 -0.15 1.56 5.82 0.00 -1.81 -0.16 103.07 110.05 3gaa h GLY 40 Ca -0.01 0.10 -0.10 0.00 0.00 0.00 0.00 47.33 47.32 3gaa h GLY 40 CO 0.08 -0.09 -0.29 -0.39 0.00 0.00 0.00 176.54 175.84 3gaa h VAL 41 N -0.18 1.28 -0.55 4.60 -1.51 -1.65 -0.05 116.25 118.18 3gaa h VAL 41 Ca 0.01 -1.35 -0.06 0.00 -1.23 0.00 0.00 66.70 64.08 3gaa h VAL 41 Cb 0.19 1.40 -0.02 0.00 -2.13 0.00 0.00 31.29 30.73 3gaa h VAL 41 CO -0.05 0.43 0.11 -0.07 -1.23 0.00 0.00 177.57 176.76 3gaa h LEU 42 N 0.44 0.86 0.11 4.19 3.38 -1.28 0.12 115.31 123.12 3gaa h LEU 42 Ca 0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3gaa h LEU 42 Cb 0.73 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3gaa h LEU 42 CO 0.06 0.88 -0.05 0.00 0.09 0.00 0.00 178.44 179.42 3gaa h ALA 43 N 1.01 -0.14 -0.29 1.53 0.00 -0.62 -1.34 119.26 119.40 3gaa h ALA 43 Ca 0.17 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3gaa h ALA 43 Cb 0.38 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 3gaa h ALA 43 CO 0.01 -0.51 -0.46 0.00 0.00 0.00 0.00 179.25 178.29 3gaa h ALA 44 N 0.59 -0.58 -0.18 0.00 0.00 -0.87 0.13 119.26 118.35 3gaa h ALA 44 Ca -0.01 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3gaa h ALA 44 Cb 0.24 0.90 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3gaa h ALA 44 CO 0.02 -0.94 0.02 0.77 0.00 0.00 0.00 179.25 179.13 3gaa h SER 45 N -0.42 -0.01 -0.34 0.00 0.02 -0.76 -1.33 113.55 110.70 3gaa h SER 45 Ca 0.10 0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.15 3gaa h SER 45 Cb 0.61 0.05 -0.08 0.00 0.14 0.00 0.00 62.40 63.12 3gaa h SER 45 CO -0.51 0.02 -0.29 0.22 -1.14 0.00 0.00 176.83 175.14 3gaa h TYR 46 N 0.09 -0.77 -0.20 3.45 5.03 -0.15 -1.07 116.97 123.35 3gaa h TYR 46 Ca 0.08 0.05 -0.17 0.00 2.58 0.00 0.00 58.73 61.28 3gaa h TYR 46 Cb 0.08 0.39 -0.00 0.00 1.55 0.00 0.00 36.73 38.75 3gaa h TYR 46 CO -0.15 -0.35 -0.55 -0.84 -1.32 0.00 0.00 178.16 174.95 3gaa h ILE 47 N -0.24 1.31 -0.27 1.81 -0.00 -0.21 0.13 117.51 120.04 3gaa h ILE 47 Ca 0.16 -1.79 0.06 0.00 -0.00 0.00 0.00 64.86 63.30 3gaa h ILE 47 Cb 0.51 1.75 -0.07 0.00 -0.00 0.00 0.00 36.82 39.00 3gaa h ILE 47 CO -0.48 0.56 -0.25 0.58 -0.00 0.00 0.00 178.15 178.56 3gaa h VAL 48 N 0.48 0.38 -0.35 0.16 2.07 -0.98 0.39 116.25 118.39 3gaa h VAL 48 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3gaa h VAL 48 Cb 1.11 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3gaa h VAL 48 CO 0.11 0.00 0.16 -0.08 0.02 0.00 0.00 177.57 177.78 3gaa h GLU 49 N -0.24 0.51 0.00 1.57 4.22 -0.65 -1.44 114.58 118.55 3gaa h GLU 49 Ca 0.14 -0.08 -0.11 0.00 0.08 0.00 0.00 59.36 59.40 3gaa h GLU 49 Cb 0.47 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3gaa h GLU 49 CO -0.41 0.48 -0.53 0.00 -2.18 0.00 0.00 179.01 176.37 3gaa h THR 50 N 0.43 0.87 -0.01 0.32 1.03 0.29 -2.06 112.91 113.79 3gaa h THR 50 Ca 0.12 -2.23 0.00 0.00 -0.01 0.00 0.00 66.41 64.29 3gaa h THR 50 Cb 0.14 2.42 0.00 0.00 -1.07 0.00 0.00 68.15 69.64 3gaa h THR 50 CO -0.01 0.49 -0.12 0.18 -0.01 0.00 0.00 175.52 176.05 3gaa n LEU 51 N -3.22 0.97 -2.80 0.00 4.77 0.13 -4.91 117.00 111.94 3gaa n LEU 51 Ca 0.02 -0.25 -0.15 0.00 -0.03 0.00 0.00 56.01 55.59 3gaa n LEU 51 Cb 0.74 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.80 3gaa n LEU 51 CO 0.41 0.17 0.14 0.61 -1.33 0.00 0.00 177.39 177.39 3gaa n GLY 52 N 1.25 -0.16 3.87 -0.72 0.00 -0.77 -4.83 105.19 103.83 3gaa n GLY 52 Ca 0.16 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3gaa n GLY 52 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gaa s MET 53 N -5.52 2.11 0.11 1.61 -1.94 -0.60 -4.82 119.30 110.26 3gaa s MET 53 Ca 0.23 0.27 0.07 0.00 -1.71 0.00 0.00 55.69 54.55 3gaa s MET 53 Cb -0.10 -1.95 -0.04 0.00 2.01 0.00 0.00 34.83 34.75 3gaa s MET 53 CO 0.54 -1.52 -0.17 -3.38 -0.01 0.00 0.00 175.02 170.48 3gaa s HIS 54 N -3.45 1.55 0.35 -0.03 -3.43 -0.03 -4.90 115.29 105.35 3gaa s HIS 54 Ca 0.61 -0.48 -0.27 0.00 -0.80 0.00 0.00 55.06 54.12 3gaa s HIS 54 Cb -0.12 -0.82 -0.09 0.00 -1.43 0.00 0.00 32.58 30.12 3gaa s HIS 54 CO 0.51 0.18 1.12 -1.14 -2.00 0.00 0.00 174.74 173.41 3gaa s GLN 55 N -2.30 4.31 0.00 -0.38 0.74 -1.26 -1.55 119.66 119.23 3gaa s GLN 55 Ca 0.07 1.77 0.00 0.00 0.05 0.00 0.00 55.36 57.25 3gaa s GLN 55 Cb -0.07 -2.85 0.00 0.00 1.10 0.00 0.00 33.01 31.18 3gaa s GLN 55 CO 0.04 -0.07 0.00 0.28 -0.55 0.00 0.00 175.29 174.98 3gaa n VAL 56 N 0.48 0.00 -3.53 1.34 0.31 -0.50 -4.86 118.33 111.58 3gaa n VAL 56 Ca 0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.23 3gaa n VAL 56 Cb 0.46 -0.01 -0.04 0.00 -0.91 0.00 0.00 33.84 33.35 3gaa n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gaa s ALA 57 N -0.71 -1.83 0.16 3.52 0.00 -1.06 -5.01 121.76 116.84 3gaa s ALA 57 Ca 0.00 1.24 0.11 0.00 0.00 0.00 0.00 51.96 53.31 3gaa s ALA 57 Cb 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 3gaa s ALA 57 CO 0.00 -0.48 -0.23 -1.01 0.00 0.00 0.00 175.76 174.03 3gaa s HIS 58 N -1.99 2.36 -0.36 0.00 0.09 -1.26 -1.40 115.29 112.72 3gaa s HIS 58 Ca -0.02 -0.34 -0.11 0.00 -0.00 0.00 0.00 55.06 54.59 3gaa s HIS 58 Cb -0.01 -1.22 0.02 0.00 -0.00 0.00 0.00 32.58 31.37 3gaa s HIS 58 CO -0.01 0.42 0.20 -1.17 -0.00 0.00 0.00 174.74 174.18 3gaa s LEU 59 N -2.38 4.61 -0.03 0.89 0.20 -1.14 -4.97 118.68 115.86 3gaa s LEU 59 Ca 0.18 -0.89 -0.14 0.00 0.69 0.00 0.00 54.13 53.97 3gaa s LEU 59 Cb -0.09 -2.03 -0.05 0.00 -0.43 0.00 0.00 46.19 43.59 3gaa s LEU 59 CO 0.09 -0.35 0.36 -0.63 -0.29 0.00 0.00 176.35 175.53 3gaa s ILE 60 N 1.57 5.12 -0.28 6.68 1.01 -1.26 -4.77 121.20 129.27 3gaa s ILE 60 Ca 0.03 0.73 -0.27 0.00 0.00 0.00 0.00 60.65 61.14 3gaa s ILE 60 Cb -0.19 -3.66 0.18 0.00 0.01 0.00 0.00 42.46 38.80 3gaa s ILE 60 CO 0.07 0.57 1.34 -0.55 0.00 0.00 0.00 174.94 176.37 3gaa s SER 61 N -0.94 -0.11 0.49 3.58 0.15 -1.26 -4.99 113.70 110.61 3gaa s SER 61 Ca 0.22 0.18 0.33 0.00 0.70 0.00 0.00 55.95 57.38 3gaa s SER 61 Cb -0.16 0.18 1.75 0.00 -1.71 0.00 0.00 66.02 66.07 3gaa s SER 61 CO 0.11 -0.06 2.01 -0.61 1.20 0.00 0.00 173.24 175.89 3gaa h GLN 62 N 2.88 0.00 -0.46 5.44 4.15 -2.02 -2.99 115.11 122.11 3gaa h GLN 62 Ca -0.21 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.11 3gaa h GLN 62 Cb 1.19 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.82 3gaa h GLN 62 CO 0.19 0.00 0.07 0.72 -1.93 0.00 0.00 178.83 177.89 3gaa n HIS 63 N -2.68 1.55 -4.52 3.99 8.25 -1.26 -4.82 115.22 115.72 3gaa n HIS 63 Ca -0.02 -1.09 -0.33 0.00 -0.26 0.00 0.00 57.72 56.02 3gaa n HIS 63 Cb 0.08 -0.48 -0.15 0.00 1.12 0.00 0.00 29.99 30.56 3gaa n HIS 63 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3gaa s ILE 64 N -2.95 2.96 0.12 1.59 1.01 -1.13 -4.73 121.20 118.06 3gaa s ILE 64 Ca 0.48 -0.67 -0.35 0.00 0.00 0.00 0.00 60.65 60.10 3gaa s ILE 64 Cb 0.39 -2.27 -0.16 0.00 0.01 0.00 0.00 42.46 40.44 3gaa s ILE 64 CO 0.09 0.50 1.39 -2.65 0.00 0.00 0.00 174.94 174.28 3gaa n PRO 65 N 3.94 1.44 -1.18 2.79 -0.02 -1.26 -4.70 135.00 136.02 3gaa n PRO 65 Ca -0.18 0.52 -0.18 0.00 -2.02 0.00 0.00 63.50 61.64 3gaa n PRO 65 Cb 0.52 -2.19 -0.12 0.00 -0.02 0.00 0.00 33.50 31.70 3gaa n PRO 65 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3gaa n PRO 66 N 2.68 2.13 -4.88 0.52 -0.04 -1.26 -4.84 135.00 129.30 3gaa n PRO 66 Ca 0.17 -1.52 -0.33 0.00 -0.04 0.00 0.00 63.50 61.79 3gaa n PRO 66 Cb 0.22 -2.02 -0.13 0.00 -0.04 0.00 0.00 33.50 31.53 3gaa n PRO 66 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3gaa s VAL 67 N -0.39 3.07 -0.07 0.52 1.01 -1.26 -5.12 120.40 118.16 3gaa s VAL 67 Ca 0.61 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 3gaa s VAL 67 Cb 0.33 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 3gaa s VAL 67 CO -0.09 0.59 0.20 0.00 0.00 0.00 0.00 175.10 175.80 3gaa s ALA 68 N -0.74 3.86 -0.10 5.51 0.00 -1.26 -4.39 121.76 124.63 3gaa s ALA 68 Ca 0.12 -0.59 -0.14 0.00 0.00 0.00 0.00 51.96 51.34 3gaa s ALA 68 Cb -0.11 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 3gaa s ALA 68 CO 0.01 0.63 0.35 0.54 0.00 0.00 0.00 175.76 177.29 3gaa s VAL 69 N -1.13 5.22 -0.04 0.00 0.11 -0.31 -4.97 120.40 119.28 3gaa s VAL 69 Ca 0.20 0.69 0.20 0.00 -2.93 0.00 0.00 61.98 60.14 3gaa s VAL 69 Cb -0.13 -3.68 0.38 0.00 -1.53 0.00 0.00 36.38 31.43 3gaa s VAL 69 CO 0.09 0.44 1.16 0.33 -3.33 0.00 0.00 175.10 173.80 3gaa n PHE 70 N 3.00 0.00 -2.49 1.54 7.35 -1.26 -0.52 117.46 125.09 3gaa n PHE 70 Ca -0.12 -0.66 -0.39 0.00 -0.76 0.00 0.00 57.45 55.52 3gaa n PHE 70 Cb 0.52 -0.16 -0.04 0.00 0.35 0.00 0.00 39.48 40.15 3gaa n PHE 70 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3gaa s VAL 71 N -0.71 3.55 -1.53 -2.13 0.11 -1.26 -1.89 120.40 116.54 3gaa s VAL 71 Ca 0.31 1.40 -0.03 0.00 -2.93 0.00 0.00 61.98 60.74 3gaa s VAL 71 Cb 0.34 -3.83 0.01 0.00 -1.53 0.00 0.00 36.38 31.38 3gaa s VAL 71 CO -0.13 0.21 0.28 0.61 -3.33 0.00 0.00 175.10 172.75 3gaa n GLY 72 N 0.84 -0.51 2.35 6.54 0.00 -1.26 -3.10 105.19 110.06 3gaa n GLY 72 Ca 0.02 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 3gaa n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gaa n GLY 73 N -1.19 -0.13 3.21 -0.02 0.00 -0.79 -4.94 105.19 101.32 3gaa n GLY 73 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 3gaa n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gaa s LYS 74 N -4.63 2.40 0.02 1.61 1.02 -1.18 -5.07 119.74 113.91 3gaa s LYS 74 Ca 0.00 -1.42 -0.30 0.00 0.02 0.00 0.00 55.97 54.27 3gaa s LYS 74 Cb 0.00 -3.47 -0.06 0.00 -0.52 0.00 0.00 37.83 33.77 3gaa s LYS 74 CO 0.00 -0.81 1.46 -1.17 -0.92 0.00 0.00 175.35 173.90 3gaa s LEU 75 N 1.30 4.33 0.12 3.17 2.96 -1.26 -4.02 118.68 125.28 3gaa s LEU 75 Ca 0.01 2.20 -0.16 0.00 -0.22 0.00 0.00 54.13 55.96 3gaa s LEU 75 Cb -0.21 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 42.95 3gaa s LEU 75 CO -0.00 -0.75 0.40 0.00 -1.32 0.00 0.00 176.35 174.67 3gaa s ARG 76 N 2.43 1.06 0.35 1.98 1.04 0.33 -5.00 118.95 121.13 3gaa s ARG 76 Ca 0.66 -0.71 -0.27 0.00 -1.04 0.00 0.00 55.73 54.37 3gaa s ARG 76 Cb -0.33 0.47 -0.09 0.00 -2.04 0.00 0.00 34.95 32.95 3gaa s ARG 76 CO 0.28 -0.41 1.19 -1.58 -0.04 0.00 0.00 175.30 174.74 3gaa s HIS 77 N -3.79 3.20 0.51 5.89 5.65 -1.26 -1.16 115.29 124.32 3gaa s HIS 77 Ca 0.03 1.55 0.23 0.00 0.25 0.00 0.00 55.06 57.11 3gaa s HIS 77 Cb 0.02 -3.46 1.44 0.00 -1.18 0.00 0.00 32.58 29.40 3gaa s HIS 77 CO -0.12 -1.29 2.13 -1.00 -0.65 0.00 0.00 174.74 173.82 3gaa h PRO 78 N 3.20 0.00 -4.68 2.88 0.13 -1.93 -3.41 132.00 128.19 3gaa h PRO 78 Ca -0.48 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.00 3gaa h PRO 78 Cb 1.23 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.98 3gaa h PRO 78 CO 0.65 0.07 -0.80 0.12 -0.23 0.00 0.00 178.00 177.80 3gaa s PHE 79 N -4.64 2.84 0.04 1.56 2.19 -1.26 -0.88 117.98 117.84 3gaa s PHE 79 Ca -0.04 -2.00 0.04 0.00 0.33 0.00 0.00 56.93 55.25 3gaa s PHE 79 Cb 0.15 -1.78 -0.02 0.00 -1.31 0.00 0.00 43.02 40.06 3gaa s PHE 79 CO 0.62 -0.82 -0.11 1.03 1.83 0.00 0.00 175.22 177.76 3gaa s ARG 80 N 1.25 0.73 -0.07 10.12 0.52 -0.61 -2.88 118.95 128.00 3gaa s ARG 80 Ca -0.06 -0.72 0.03 0.00 -0.52 0.00 0.00 55.73 54.46 3gaa s ARG 80 Cb -0.19 -0.66 0.01 0.00 0.52 0.00 0.00 34.95 34.63 3gaa s ARG 80 CO -0.06 0.15 -0.17 0.42 0.02 0.00 0.00 175.30 175.66 3gaa s ILE 81 N -1.00 1.48 0.24 1.52 1.01 -0.49 -1.59 121.20 122.37 3gaa s ILE 81 Ca -0.03 -0.69 0.12 0.00 0.00 0.00 0.00 60.65 60.05 3gaa s ILE 81 Cb -0.08 -1.31 -0.05 0.00 0.01 0.00 0.00 42.46 41.03 3gaa s ILE 81 CO 0.01 0.43 -0.22 -0.31 0.00 0.00 0.00 174.94 174.85 3gaa s TYR 82 N 0.47 2.29 0.05 3.97 2.02 0.77 -1.40 117.35 125.50 3gaa s TYR 82 Ca -0.14 -0.34 0.07 0.00 -0.37 0.00 0.00 57.07 56.28 3gaa s TYR 82 Cb -0.16 -1.05 -0.02 0.00 -0.40 0.00 0.00 41.96 40.32 3gaa s TYR 82 CO 0.05 0.62 -0.19 0.00 -1.57 0.00 0.00 175.55 174.47 3gaa s ALA 83 N -2.15 1.60 1.01 3.71 0.00 -0.59 -0.54 121.76 124.80 3gaa s ALA 83 Ca 0.26 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 51.11 3gaa s ALA 83 Cb -0.06 -0.29 0.15 0.00 0.00 0.00 0.00 23.12 22.91 3gaa s ALA 83 CO 0.13 0.34 0.82 0.27 0.00 0.00 0.00 175.76 177.32 3gaa n ASN 84 N 1.82 -0.11 0.04 0.00 2.04 -0.77 -0.85 115.26 117.43 3gaa n ASN 84 Ca -0.18 -1.26 -0.15 0.00 -0.44 0.00 0.00 54.58 52.56 3gaa n ASN 84 Cb 0.54 -0.63 -0.04 0.00 -2.53 0.00 0.00 39.78 37.11 3gaa n ASN 84 CO 0.00 0.00 0.00 -1.13 -0.44 0.00 0.00 177.26 175.69 3gaa h ASN 85 N -1.19 0.68 0.23 0.53 -1.24 -1.88 -2.43 115.58 110.29 3gaa h ASN 85 Ca -0.27 -0.50 0.00 0.00 0.71 0.00 0.00 56.30 56.25 3gaa h ASN 85 Cb 0.74 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.59 3gaa h ASN 85 CO 0.19 1.28 -0.01 -1.20 -1.29 0.00 0.00 177.43 176.39 3gaa n SER 86 N -3.83 0.15 -3.83 1.15 7.64 -1.26 -4.91 113.62 108.72 3gaa n SER 86 Ca -0.07 -0.70 -0.26 0.00 1.01 0.00 0.00 58.87 58.84 3gaa n SER 86 Cb 0.79 -0.10 0.03 0.00 -1.01 0.00 0.00 64.21 63.92 3gaa n SER 86 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3gaa n ASN 87 N -1.02 -3.21 -0.06 6.43 3.02 -0.91 -4.27 115.26 115.24 3gaa n ASN 87 Ca 0.19 -0.80 0.05 0.00 -0.03 0.00 0.00 54.58 53.99 3gaa n ASN 87 Cb 0.19 -3.94 -0.05 0.00 -0.61 0.00 0.00 39.78 35.37 3gaa n ASN 87 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3gaa n THR 88 N -4.52 0.00 -3.73 3.41 -2.24 -1.26 -1.96 114.28 103.98 3gaa n THR 88 Ca -0.11 -0.28 -0.17 0.00 -2.27 0.00 0.00 64.05 61.22 3gaa n THR 88 Cb 0.59 1.03 -0.17 0.00 -2.10 0.00 0.00 70.33 69.68 3gaa n THR 88 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gaa s VAL 89 N -1.86 -0.08 0.18 2.28 1.01 -1.26 -0.95 120.40 119.71 3gaa s VAL 89 Ca 0.05 0.31 0.07 0.00 0.00 0.00 0.00 61.98 62.40 3gaa s VAL 89 Cb 0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.31 3gaa s VAL 89 CO 0.39 0.13 0.03 -0.76 0.00 0.00 0.00 175.10 174.89 3gaa s LEU 90 N 1.53 3.42 -0.06 3.92 1.43 -0.37 -1.84 118.68 126.71 3gaa s LEU 90 Ca -0.03 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 3gaa s LEU 90 Cb -0.13 -2.06 0.01 0.00 0.03 0.00 0.00 46.19 44.04 3gaa s LEU 90 CO -0.03 0.08 -0.15 -0.69 0.23 0.00 0.00 176.35 175.79 3gaa s VAL 91 N -1.76 1.33 -0.17 -1.59 1.01 0.30 -0.87 120.40 118.64 3gaa s VAL 91 Ca 0.28 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 3gaa s VAL 91 Cb -0.09 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 3gaa s VAL 91 CO 0.20 0.40 -0.11 0.00 0.00 0.00 0.00 175.10 175.59 3gaa s ALA 92 N 0.44 2.65 0.02 5.51 0.00 -0.20 -0.17 121.76 130.02 3gaa s ALA 92 Ca -0.12 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.81 3gaa s ALA 92 Cb -0.15 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 3gaa s ALA 92 CO 0.04 -0.10 -0.05 0.00 0.00 0.00 0.00 175.76 175.65 3gaa s MET 93 N 0.92 0.37 -0.11 0.00 0.23 -0.62 -1.63 119.30 118.46 3gaa s MET 93 Ca -0.02 -0.41 -0.00 0.00 -1.03 0.00 0.00 55.69 54.23 3gaa s MET 93 Cb -0.15 -0.22 0.02 0.00 -1.53 0.00 0.00 34.83 32.96 3gaa s MET 93 CO -0.00 0.05 -0.07 0.00 -2.03 0.00 0.00 175.02 172.96 3gaa n GLU 95 N 4.94 1.25 -4.03 0.00 1.02 -0.05 -2.89 120.64 120.87 3gaa n GLU 95 Ca -0.12 -0.56 -0.13 0.00 -0.02 0.00 0.00 57.16 56.34 3gaa n GLU 95 Cb 0.50 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 30.31 3gaa n GLU 95 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3gaa s VAL 96 N -2.13 0.30 0.36 2.62 -7.23 -1.26 -4.86 120.40 108.19 3gaa s VAL 96 Ca 0.37 -0.58 -0.25 0.00 -1.81 0.00 0.00 61.98 59.71 3gaa s VAL 96 Cb 0.21 -0.34 -0.10 0.00 0.56 0.00 0.00 36.38 36.72 3gaa s VAL 96 CO 0.39 -0.19 0.99 -2.16 -0.31 0.00 0.00 175.10 173.82 3gaa s PRO 97 N -0.82 4.39 -0.24 4.82 0.04 -1.26 -4.57 135.00 137.35 3gaa s PRO 97 Ca -0.06 1.40 -0.16 0.00 0.04 0.00 0.00 61.00 62.21 3gaa s PRO 97 Cb -0.06 -2.65 -0.03 0.00 0.04 0.00 0.00 34.50 31.80 3gaa s PRO 97 CO -0.00 0.08 0.43 0.42 0.04 0.00 0.00 177.00 177.97 3gaa s ILE 98 N -1.67 5.15 0.44 0.56 1.01 -1.26 -4.69 121.20 120.74 3gaa s ILE 98 Ca 0.54 0.72 -0.23 0.00 0.00 0.00 0.00 60.65 61.68 3gaa s ILE 98 Cb -0.19 -3.75 -0.10 0.00 0.01 0.00 0.00 42.46 38.42 3gaa s ILE 98 CO 0.25 0.16 0.94 -0.24 0.00 0.00 0.00 174.94 176.05 3gaa n SER 99 N 5.12 0.91 0.20 3.58 2.88 -1.26 -4.87 113.62 120.19 3gaa n SER 99 Ca -0.07 0.99 0.06 0.00 -1.33 0.00 0.00 58.87 58.52 3gaa n SER 99 Cb 0.50 -1.33 0.41 0.00 -0.75 0.00 0.00 64.21 63.04 3gaa n SER 99 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3gaa h SER 100 N 1.31 0.00 0.00 -3.46 4.64 -2.00 -1.25 113.55 112.78 3gaa h SER 100 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3gaa h SER 100 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3gaa h SER 100 CO 0.55 0.33 0.35 0.00 -0.87 0.00 0.00 176.83 177.19 3gaa h ALA 101 N 1.67 1.31 0.00 5.18 0.00 -2.02 -2.93 119.26 122.47 3gaa h ALA 101 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gaa h ALA 101 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3gaa h ALA 101 CO 0.04 -0.31 -0.04 0.72 0.00 0.00 0.00 179.25 179.67 3gaa n HIS 102 N -2.57 0.00 -0.12 0.00 -0.00 -0.48 -4.76 115.22 107.30 3gaa n HIS 102 Ca -0.02 -0.53 -0.10 0.00 -0.00 0.00 0.00 57.72 57.08 3gaa n HIS 102 Cb 0.38 -0.07 -0.04 0.00 -0.00 0.00 0.00 29.99 30.26 3gaa n HIS 102 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3gaa h ILE 103 N 0.92 0.13 -0.33 1.59 2.04 -1.53 -1.78 117.51 118.56 3gaa h ILE 103 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 3gaa h ILE 103 Cb 0.77 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 3gaa h ILE 103 CO 0.00 0.00 -0.10 0.22 0.00 0.00 0.00 178.15 178.27 3gaa h TYR 104 N -0.33 -0.21 -0.03 1.37 5.03 -1.85 0.22 116.97 121.17 3gaa h TYR 104 Ca 0.14 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.46 3gaa h TYR 104 Cb 0.58 0.14 -0.00 0.00 1.55 0.00 0.00 36.73 39.01 3gaa h TYR 104 CO -0.60 -0.16 -0.04 1.05 -1.32 0.00 0.00 178.16 177.09 3gaa h GLU 105 N -0.02 0.07 -0.62 1.82 4.11 -1.87 -1.53 114.58 116.54 3gaa h GLU 105 Ca 0.16 -0.04 0.10 0.00 0.07 0.00 0.00 59.36 59.64 3gaa h GLU 105 Cb 0.26 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 3gaa h GLU 105 CO -0.35 0.58 0.23 0.82 0.07 0.00 0.00 179.01 180.37 3gaa h ILE 106 N -0.44 0.77 -0.61 -1.06 1.08 -1.22 -0.95 117.51 115.09 3gaa h ILE 106 Ca 0.00 -0.14 -0.02 0.00 -0.39 0.00 0.00 64.86 64.31 3gaa h ILE 106 Cb 0.57 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 34.61 3gaa h ILE 106 CO 0.01 0.08 0.31 0.28 -0.69 0.00 0.00 178.15 178.13 3gaa h SER 107 N 0.41 0.76 -0.15 1.72 0.02 -0.53 -1.96 113.55 113.82 3gaa h SER 107 Ca 0.31 -0.07 -0.21 0.00 -0.84 0.00 0.00 61.79 60.98 3gaa h SER 107 Cb 0.39 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.74 3gaa h SER 107 CO -0.31 0.64 -0.75 -1.13 -1.14 0.00 0.00 176.83 174.14 3gaa h ASN 108 N 0.85 0.91 0.37 3.07 -1.24 -0.64 -0.17 115.58 118.73 3gaa h ASN 108 Ca 0.21 -0.63 -0.01 0.00 0.71 0.00 0.00 56.30 56.58 3gaa h ASN 108 Cb 0.07 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 38.85 3gaa h ASN 108 CO -0.03 1.39 -0.21 0.74 -1.29 0.00 0.00 177.43 178.04 3gaa h THR 109 N 0.49 0.57 -0.52 -3.57 2.02 -0.95 -1.80 112.91 109.15 3gaa h THR 109 Ca -0.05 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.23 3gaa h THR 109 Cb 1.38 0.57 -0.08 0.00 -1.74 0.00 0.00 68.15 68.28 3gaa h THR 109 CO 0.15 0.00 0.02 0.25 0.37 0.00 0.00 175.52 176.31 3gaa h LEU 110 N -0.54 -0.18 -1.17 2.58 5.85 -1.38 -2.03 115.31 118.44 3gaa h LEU 110 Ca -0.04 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3gaa h LEU 110 Cb 0.43 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 3gaa h LEU 110 CO 0.06 -0.06 -0.09 0.24 -0.34 0.00 0.00 178.44 178.24 3gaa h MET 111 N 0.14 0.00 -0.31 1.25 2.86 -0.91 -1.18 114.93 116.77 3gaa h MET 111 Ca 0.27 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.84 3gaa h MET 111 Cb 0.40 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 3gaa h MET 111 CO -0.42 0.09 -0.07 -0.91 1.06 0.00 0.00 176.91 176.66 3gaa h ASN 112 N 0.00 0.60 -0.36 1.22 -0.26 -0.62 -0.66 115.58 115.50 3gaa h ASN 112 Ca -0.00 -0.36 -0.15 0.00 -0.56 0.00 0.00 56.30 55.23 3gaa h ASN 112 Cb 0.66 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.75 3gaa h ASN 112 CO 0.01 0.82 -0.36 -0.25 -1.06 0.00 0.00 177.43 176.60 3gaa h TRP 113 N 0.37 1.05 -0.42 1.19 7.01 -1.05 -2.39 115.95 121.72 3gaa h TRP 113 Ca 0.08 -0.32 -0.15 0.00 2.11 0.00 0.00 58.89 60.61 3gaa h TRP 113 Cb 0.56 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 3gaa h TRP 113 CO 0.05 1.12 -0.33 0.82 -2.79 0.00 0.00 178.44 177.31 3gaa h ILE 114 N 0.68 1.27 -0.92 2.65 2.04 -1.25 -0.96 117.51 121.01 3gaa h ILE 114 Ca 0.06 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.41 3gaa h ILE 114 Cb 0.95 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.28 3gaa h ILE 114 CO 0.09 0.51 0.55 -0.78 0.00 0.00 0.00 178.15 178.52 3gaa h ASP 115 N 0.80 1.11 1.10 1.72 1.82 -1.06 -2.99 116.42 118.93 3gaa h ASP 115 Ca 0.08 -0.07 -0.14 0.00 -0.39 0.00 0.00 57.03 56.50 3gaa h ASP 115 Cb 0.92 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.63 3gaa h ASP 115 CO 0.09 0.86 -0.68 1.56 -1.61 0.00 0.00 179.24 179.46 3gaa h GLN 116 N 1.27 0.00 0.00 0.28 7.50 -1.05 -2.70 115.11 120.42 3gaa h GLN 116 Ca 0.33 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.48 3gaa h GLN 116 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.48 3gaa h GLN 116 CO -0.06 0.68 0.00 0.28 -1.50 0.00 0.00 178.83 178.22 3gaa n VAL 117 N -3.39 0.95 -0.43 -0.54 0.31 -0.40 -2.48 118.33 112.36 3gaa n VAL 117 Ca 0.01 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 3gaa n VAL 117 Cb 0.76 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 3gaa n VAL 117 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gaa n GLY 118 N -0.02 0.74 3.73 2.92 0.00 -1.02 -4.35 105.19 107.20 3gaa n GLY 118 Ca 0.03 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 3gaa n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gaa n ALA 119 N -0.70 1.89 -0.02 4.61 0.00 -1.14 -4.28 120.51 120.86 3gaa n ALA 119 Ca 0.00 0.37 -0.21 0.00 0.00 0.00 0.00 53.44 53.60 3gaa n ALA 119 Cb 0.00 -2.36 -0.13 0.00 0.00 0.00 0.00 19.45 16.96 3gaa n ALA 119 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gaa h SER 120 N 3.45 0.27 -3.70 0.00 4.64 -1.38 -3.47 113.55 113.36 3gaa h SER 120 Ca -0.47 -0.80 -0.19 0.00 -0.47 0.00 0.00 61.79 59.85 3gaa h SER 120 Cb 1.26 -0.09 -0.27 0.00 -0.31 0.00 0.00 62.40 62.99 3gaa h SER 120 CO 0.69 1.55 -0.52 -1.61 -0.87 0.00 0.00 176.83 176.07 3gaa s GLU 121 N -2.44 0.19 -0.14 4.77 0.41 -1.26 -3.44 118.70 116.80 3gaa s GLU 121 Ca -0.22 0.29 -0.01 0.00 -0.41 0.00 0.00 54.97 54.62 3gaa s GLU 121 Cb 0.04 0.04 -0.02 0.00 -1.78 0.00 0.00 34.13 32.42 3gaa s GLU 121 CO 0.72 -0.06 -0.11 0.42 -0.49 0.00 0.00 175.26 175.75 3gaa s ILE 122 N 0.35 3.26 -0.12 -1.63 1.01 -0.26 -0.81 121.20 123.01 3gaa s ILE 122 Ca -0.02 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.06 3gaa s ILE 122 Cb -0.03 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 3gaa s ILE 122 CO -0.01 0.51 -0.18 -0.69 0.00 0.00 0.00 174.94 174.57 3gaa s VAL 123 N 0.38 2.55 -0.22 2.92 1.01 0.99 -1.76 120.40 126.28 3gaa s VAL 123 Ca -0.09 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 60.98 3gaa s VAL 123 Cb -0.15 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3gaa s VAL 123 CO 0.05 0.54 0.08 -0.63 0.00 0.00 0.00 175.10 175.13 3gaa s ILE 124 N 0.40 4.63 -0.23 2.22 1.01 0.06 -1.09 121.20 128.20 3gaa s ILE 124 Ca -0.14 -0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.31 3gaa s ILE 124 Cb -0.17 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 3gaa s ILE 124 CO 0.06 0.39 0.23 -0.04 0.00 0.00 0.00 174.94 175.58 3gaa s MET 125 N 1.01 4.11 0.19 2.79 -1.94 -0.26 -1.16 119.30 124.05 3gaa s MET 125 Ca 0.04 -0.13 -0.15 0.00 -1.71 0.00 0.00 55.69 53.74 3gaa s MET 125 Cb -0.14 -3.53 0.02 0.00 2.01 0.00 0.00 34.83 33.19 3gaa s MET 125 CO 0.03 0.05 0.47 -1.83 -0.01 0.00 0.00 175.02 173.72 3gaa s GLU 126 N 1.09 1.33 0.19 2.03 -1.05 -0.11 -4.05 118.70 118.13 3gaa s GLU 126 Ca 0.11 -0.94 0.08 0.00 -0.15 0.00 0.00 54.97 54.07 3gaa s GLU 126 Cb -0.14 0.49 -0.04 0.00 -0.44 0.00 0.00 34.13 34.00 3gaa s GLU 126 CO 0.05 -0.55 0.01 0.20 0.95 0.00 0.00 175.26 175.93 3gaa s GLY 127 N -2.90 1.69 0.01 -3.83 0.00 -1.26 -1.48 107.32 99.55 3gaa s GLY 127 Ca 0.11 -1.42 0.08 0.00 0.00 0.00 0.00 44.72 43.49 3gaa s GLY 127 CO -0.02 -1.44 -0.24 -1.35 0.00 0.00 0.00 173.10 170.05 3gaa s SER 128 N -3.13 3.28 0.25 1.64 1.04 -0.25 -4.46 113.70 112.07 3gaa s SER 128 Ca 0.29 -0.49 -0.30 0.00 0.48 0.00 0.00 55.95 55.93 3gaa s SER 128 Cb -0.09 -0.40 -0.09 0.00 0.10 0.00 0.00 66.02 65.54 3gaa s SER 128 CO 0.19 0.29 0.99 -2.84 0.98 0.00 0.00 173.24 172.86 3gaa s PRO 129 N -0.98 4.78 0.00 4.02 0.02 -1.26 -0.33 135.00 141.25 3gaa s PRO 129 Ca 0.11 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.73 3gaa s PRO 129 Cb -0.10 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.17 3gaa s PRO 129 CO 0.01 0.41 0.00 0.00 -0.33 0.00 0.00 177.00 177.10 3gaa n ALA 130 N 1.40 0.00 -3.31 -1.55 0.00 0.40 -4.76 120.51 112.69 3gaa n ALA 130 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.35 3gaa n ALA 130 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 3gaa n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gaa s ASN 131 N 0.34 0.03 0.00 0.00 6.03 -1.26 -2.00 114.94 118.07 3gaa s ASN 131 Ca 0.00 0.15 0.00 0.00 -1.03 0.00 0.00 52.86 51.98 3gaa s ASN 131 Cb 0.00 1.27 0.00 0.00 -3.03 0.00 0.00 41.25 39.49 3gaa s ASN 131 CO 0.00 -0.31 0.00 0.61 -2.03 0.00 0.00 177.10 175.37 3gaa n GLY 132 N 5.37 -0.50 2.82 0.45 0.00 -1.26 -4.90 105.19 107.17 3gaa n GLY 132 Ca -0.02 0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 3gaa n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gaa s ILE 133 N 0.00 0.58 -0.44 -0.61 1.09 -1.26 -4.75 121.20 115.80 3gaa s ILE 133 Ca 0.00 -0.02 -0.40 0.00 -1.10 0.00 0.00 60.65 59.14 3gaa s ILE 133 Cb 0.00 -0.68 -0.17 0.00 -1.06 0.00 0.00 42.46 40.55 3gaa s ILE 133 CO 0.00 0.29 1.82 -2.65 -0.10 0.00 0.00 174.94 174.30 3gaa n PRO 134 N 5.00 0.00 0.31 2.79 -0.02 -1.26 -4.46 135.00 137.35 3gaa n PRO 134 Ca -0.10 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.38 3gaa n PRO 134 Cb 0.50 -1.33 0.01 0.00 -0.02 0.00 0.00 33.50 32.66 3gaa n PRO 134 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3gaa n GLU 135 N 6.15 0.03 -2.08 -0.52 2.13 -1.26 -3.47 120.64 121.62 3gaa n GLU 135 Ca 0.45 0.92 -0.30 0.00 0.66 0.00 0.00 57.16 58.89 3gaa n GLU 135 Cb -0.04 -2.48 -0.04 0.00 0.27 0.00 0.00 31.44 29.14 3gaa n GLU 135 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3gaa s GLU 136 N -3.90 2.64 -0.25 5.31 0.41 -1.26 -4.98 118.70 116.67 3gaa s GLU 136 Ca -0.00 -0.15 -0.05 0.00 -0.41 0.00 0.00 54.97 54.35 3gaa s GLU 136 Cb 0.00 -4.93 -0.01 0.00 -1.78 0.00 0.00 34.13 27.42 3gaa s GLU 136 CO 0.01 -3.16 0.02 0.50 -0.49 0.00 0.00 175.26 172.14 3gaa s ARG 137 N 6.88 3.35 0.52 1.61 3.52 -1.23 -5.09 118.95 128.51 3gaa s ARG 137 Ca 0.67 -0.66 -0.12 0.00 -0.13 0.00 0.00 55.73 55.49 3gaa s ARG 137 Cb -0.08 -3.19 -0.06 0.00 -1.56 0.00 0.00 34.95 30.06 3gaa s ARG 137 CO 0.03 -0.27 0.93 -1.25 -0.81 0.00 0.00 175.30 173.93 3gaa s PRO 138 N 1.52 3.76 -0.09 5.12 0.04 -1.26 -5.05 135.00 139.04 3gaa s PRO 138 Ca 0.05 0.70 -0.00 0.00 0.04 0.00 0.00 61.00 61.79 3gaa s PRO 138 Cb -0.15 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 3gaa s PRO 138 CO 0.00 -0.30 -0.06 0.08 0.04 0.00 0.00 177.00 176.77 3gaa s VAL 139 N -2.74 3.77 0.30 -0.36 1.01 -1.26 -4.29 120.40 116.82 3gaa s VAL 139 Ca 0.55 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 62.17 3gaa s VAL 139 Cb -0.10 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 3gaa s VAL 139 CO 0.39 0.58 0.09 -0.36 0.00 0.00 0.00 175.10 175.80 3gaa s PHE 140 N -0.57 2.76 -0.01 5.22 0.08 0.51 -2.31 117.98 123.66 3gaa s PHE 140 Ca 0.09 -0.28 0.02 0.00 0.12 0.00 0.00 56.93 56.88 3gaa s PHE 140 Cb -0.12 -1.42 -0.00 0.00 -0.57 0.00 0.00 43.02 40.91 3gaa s PHE 140 CO 0.02 0.48 -0.07 0.00 -0.10 0.00 0.00 175.22 175.55 3gaa s ALA 141 N -2.34 0.64 -0.26 5.36 0.00 0.06 -0.78 121.76 124.43 3gaa s ALA 141 Ca 0.34 -0.28 -0.06 0.00 0.00 0.00 0.00 51.96 51.96 3gaa s ALA 141 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 3gaa s ALA 141 CO 0.22 0.13 0.05 0.14 0.00 0.00 0.00 175.76 176.30 3gaa s VAL 142 N 0.01 3.99 0.35 0.00 -7.23 -0.56 -0.88 120.40 116.08 3gaa s VAL 142 Ca 0.00 -0.43 -0.04 0.00 -1.81 0.00 0.00 61.98 59.71 3gaa s VAL 142 Cb -0.05 -2.93 0.01 0.00 0.56 0.00 0.00 36.38 33.97 3gaa s VAL 142 CO -0.00 0.26 0.52 0.00 -0.31 0.00 0.00 175.10 175.57 3gaa s ALA 143 N 1.55 0.59 0.56 1.32 0.00 -1.26 -0.71 121.76 123.81 3gaa s ALA 143 Ca 0.05 -1.43 -0.14 0.00 0.00 0.00 0.00 51.96 50.44 3gaa s ALA 143 Cb -0.16 1.09 -0.06 0.00 0.00 0.00 0.00 23.12 23.99 3gaa s ALA 143 CO 0.02 -0.82 1.00 -1.21 0.00 0.00 0.00 175.76 174.75 3gaa s GLU 144 N -2.93 3.79 0.18 0.00 2.02 -1.26 -4.68 118.70 115.82 3gaa s GLU 144 Ca 0.29 0.86 -0.21 0.00 0.02 0.00 0.00 54.97 55.93 3gaa s GLU 144 Cb -0.01 -2.11 0.11 0.00 0.10 0.00 0.00 34.13 32.21 3gaa s GLU 144 CO 0.19 -0.40 1.60 0.87 0.02 0.00 0.00 175.26 177.54 3gaa h LYS 145 N 0.38 -0.17 -0.84 1.61 1.57 -2.02 0.27 116.57 117.36 3gaa h LYS 145 Ca -0.46 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.41 3gaa h LYS 145 Cb 1.19 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.47 3gaa h LYS 145 CO 0.62 -0.12 0.51 -1.35 -0.57 0.00 0.00 179.45 178.54 3gaa h PRO 146 N -0.18 0.89 0.36 3.15 0.11 -2.00 0.09 132.00 134.42 3gaa h PRO 146 Ca 0.21 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 3gaa h PRO 146 Cb 0.53 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.45 3gaa h PRO 146 CO -0.61 0.59 -0.18 0.87 -0.21 0.00 0.00 178.00 178.46 3gaa h LYS 147 N 0.92 -0.47 -1.07 1.05 1.79 -1.34 -2.77 116.57 114.69 3gaa h LYS 147 Ca 0.38 0.03 0.29 0.00 -2.18 0.00 0.00 60.65 59.17 3gaa h LYS 147 Cb 0.22 0.11 -0.10 0.00 -1.58 0.00 0.00 32.23 30.88 3gaa h LYS 147 CO -0.19 -0.23 0.69 -0.07 -1.08 0.00 0.00 179.45 178.56 3gaa h LEU 148 N -0.63 0.42 -0.14 2.94 3.38 0.07 0.19 115.31 121.55 3gaa h LEU 148 Ca -0.05 0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 3gaa h LEU 148 Cb 0.46 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3gaa h LEU 148 CO 0.08 0.05 -0.38 0.44 0.09 0.00 0.00 178.44 178.73 3gaa h ASP 149 N 0.36 0.57 0.24 -0.43 5.19 -0.96 -1.88 116.42 119.51 3gaa h ASP 149 Ca 0.62 -0.59 0.01 0.00 -0.62 0.00 0.00 57.03 56.45 3gaa h ASP 149 Cb 1.63 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.95 3gaa h ASP 149 CO -0.31 1.06 -0.28 0.11 -3.12 0.00 0.00 179.24 176.69 3gaa h LYS 150 N 0.11 -0.55 -0.15 3.56 1.57 -0.98 -2.83 116.57 117.29 3gaa h LYS 150 Ca -0.01 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3gaa h LYS 150 Cb 0.99 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 3gaa h LYS 150 CO 0.08 -0.37 0.36 0.74 -0.57 0.00 0.00 179.45 179.69 3gaa h PHE 151 N -0.57 0.00 0.13 -1.35 0.04 -0.96 -2.33 116.94 111.89 3gaa h PHE 151 Ca 0.00 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.47 3gaa h PHE 151 Cb 0.54 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.72 3gaa h PHE 151 CO -0.20 0.00 -1.25 -0.22 -0.60 0.00 0.00 178.31 176.04 3gaa h LYS 152 N 0.00 0.56 0.00 1.51 3.64 -1.08 -1.45 116.57 119.74 3gaa h LYS 152 Ca 0.07 -0.77 0.00 0.00 -1.27 0.00 0.00 60.65 58.68 3gaa h LYS 152 Cb 0.79 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3gaa h LYS 152 CO -0.00 1.35 0.00 0.87 -2.27 0.00 0.00 179.45 179.40 3gaa h LYS 153 N 0.23 0.00 -0.01 1.90 1.57 -1.42 -2.38 116.57 116.46 3gaa h LYS 153 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 3gaa h LYS 153 Cb 1.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.24 3gaa h LYS 153 CO 0.23 0.00 -0.12 0.00 -0.57 0.00 0.00 179.45 178.99 3gaa n ALA 154 N -2.07 2.81 -0.03 3.86 0.00 -0.89 -4.93 120.51 119.26 3gaa n ALA 154 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3gaa n ALA 154 Cb 0.13 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3gaa n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gaa n GLY 155 N 1.25 1.02 3.68 0.00 0.00 -0.89 -5.04 105.19 105.21 3gaa n GLY 155 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3gaa n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gaa s ILE 156 N -2.39 4.80 0.27 -0.61 1.01 -0.60 -4.78 121.20 118.91 3gaa s ILE 156 Ca 0.00 1.96 0.06 0.00 0.00 0.00 0.00 60.65 62.67 3gaa s ILE 156 Cb 0.00 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 3gaa s ILE 156 CO 0.00 -0.00 0.32 0.00 0.00 0.00 0.00 174.94 175.25 3gaa s GLN 157 N 2.13 3.12 0.10 2.79 -2.07 -0.98 -3.77 119.66 120.98 3gaa s GLN 157 Ca 0.46 -0.97 -0.30 0.00 -1.82 0.00 0.00 55.36 52.72 3gaa s GLN 157 Cb -0.18 -2.72 -0.06 0.00 -1.09 0.00 0.00 33.01 28.96 3gaa s GLN 157 CO 0.16 0.31 1.21 -2.14 -1.32 0.00 0.00 175.29 173.52 3gaa s PRO 158 N -3.97 4.44 0.64 9.60 0.02 -1.26 -0.76 135.00 143.72 3gaa s PRO 158 Ca 0.36 1.82 -0.18 0.00 0.02 0.00 0.00 61.00 63.03 3gaa s PRO 158 Cb -0.08 -3.31 -0.03 0.00 0.02 0.00 0.00 34.50 31.10 3gaa s PRO 158 CO 0.28 -0.23 1.03 0.00 -0.33 0.00 0.00 177.00 177.75 3gaa n ALA 159 N 3.57 0.29 -3.40 -1.55 0.00 -0.06 -4.74 120.51 114.61 3gaa n ALA 159 Ca 0.08 -0.04 -0.45 0.00 0.00 0.00 0.00 53.44 53.03 3gaa n ALA 159 Cb 0.46 -2.16 -0.04 0.00 0.00 0.00 0.00 19.45 17.70 3gaa n ALA 159 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gaa s ASP 160 N -1.38 6.32 -0.23 0.00 -1.08 -1.26 -4.97 116.67 114.06 3gaa s ASP 160 Ca 0.77 -2.43 -0.25 0.00 -0.52 0.00 0.00 52.55 50.13 3gaa s ASP 160 Cb -0.39 -2.14 0.07 0.00 -1.46 0.00 0.00 42.92 39.00 3gaa s ASP 160 CO 0.46 -0.62 0.69 -0.94 0.52 0.00 0.00 175.17 175.28 3gaa s SER 161 N 2.34 -0.71 0.18 -0.34 1.04 -1.26 -5.02 113.70 109.92 3gaa s SER 161 Ca 0.13 1.30 0.02 0.00 0.48 0.00 0.00 55.95 57.88 3gaa s SER 161 Cb -0.18 1.30 0.05 0.00 0.10 0.00 0.00 66.02 67.29 3gaa s SER 161 CO -0.05 -0.29 1.41 0.00 0.98 0.00 0.00 173.24 175.30 3gaa h ALA 162 N 4.77 0.58 -2.72 5.32 0.00 -2.05 -3.45 119.26 121.71 3gaa h ALA 162 Ca -0.29 -0.67 -0.37 0.00 0.00 0.00 0.00 54.91 53.58 3gaa h ALA 162 Cb 1.16 -0.07 -0.17 0.00 0.00 0.00 0.00 17.79 18.70 3gaa h ALA 162 CO 0.11 0.85 -0.74 0.96 0.00 0.00 0.00 179.25 180.43 3gaa s ILE 163 N -3.37 1.18 -0.22 0.00 -4.36 -1.26 -5.13 121.20 108.04 3gaa s ILE 163 Ca -0.04 -1.75 0.02 0.00 -0.26 0.00 0.00 60.65 58.62 3gaa s ILE 163 Cb 0.10 -1.53 0.04 0.00 1.25 0.00 0.00 42.46 42.33 3gaa s ILE 163 CO 0.83 -0.52 -0.12 -0.63 0.24 0.00 0.00 174.94 174.74 3gaa s ILE 164 N -2.44 1.88 0.00 8.37 -1.09 -1.26 -5.11 121.20 121.54 3gaa s ILE 164 Ca 0.09 -1.21 0.00 0.00 -2.23 0.00 0.00 60.65 57.30 3gaa s ILE 164 Cb -0.03 -1.93 0.00 0.00 -1.58 0.00 0.00 42.46 38.92 3gaa s ILE 164 CO 0.02 0.16 0.00 0.00 -1.23 0.00 0.00 174.94 173.89 3gaa n ALA 165 N 4.59 0.00 -0.51 9.38 0.00 -1.26 -3.63 120.51 129.08 3gaa n ALA 165 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3gaa n ALA 165 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 3gaa n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gaa n GLY 166 N 5.00 0.93 0.19 0.00 0.00 -1.26 -1.80 105.19 108.26 3gaa n GLY 166 Ca 0.00 -0.61 0.07 0.00 0.00 0.00 0.00 46.02 45.48 3gaa n GLY 166 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3gaa h MET 167 N 0.00 0.00 -0.32 1.61 2.86 -1.95 -2.96 114.93 114.17 3gaa h MET 167 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3gaa h MET 167 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3gaa h MET 167 CO 0.00 0.33 0.15 0.78 1.06 0.00 0.00 176.91 179.23 3gaa h GLY 168 N 2.45 0.51 1.05 8.32 0.00 -1.89 -0.37 103.07 113.14 3gaa h GLY 168 Ca -0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 3gaa h GLY 168 CO 0.04 0.25 0.28 -1.33 0.00 0.00 0.00 176.54 175.78 3gaa h GLY 169 N 0.38 1.23 0.86 4.60 0.00 -1.19 0.54 103.07 109.49 3gaa h GLY 169 Ca 0.11 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 3gaa h GLY 169 CO -0.01 0.65 0.04 -1.33 0.00 0.00 0.00 176.54 175.89 3gaa h GLY 170 N 1.10 0.16 0.98 4.60 0.00 -1.39 -1.04 103.07 107.49 3gaa h GLY 170 Ca 0.25 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 3gaa h GLY 170 CO -0.02 0.08 0.23 -2.22 0.00 0.00 0.00 176.54 174.61 3gaa h ILE 171 N -0.01 1.22 -1.00 2.60 2.04 -0.97 -2.05 117.51 119.34 3gaa h ILE 171 Ca 0.03 -0.68 0.10 0.00 1.00 0.00 0.00 64.86 65.32 3gaa h ILE 171 Cb 0.18 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 36.81 3gaa h ILE 171 CO -0.00 0.26 0.64 -0.07 0.00 0.00 0.00 178.15 178.98 3gaa h LEU 172 N 0.76 0.95 -0.15 1.44 4.07 -0.74 -0.29 115.31 121.35 3gaa h LEU 172 Ca 0.19 0.04 -0.05 0.00 0.08 0.00 0.00 57.88 58.13 3gaa h LEU 172 Cb 0.19 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.77 3gaa h LEU 172 CO -0.02 0.54 -0.12 0.78 -1.08 0.00 0.00 178.44 178.55 3gaa h ASN 173 N 1.04 0.36 -0.86 -0.43 2.35 -0.84 0.76 115.58 117.97 3gaa h ASN 173 Ca 0.48 -0.45 0.12 0.00 -0.55 0.00 0.00 56.30 55.89 3gaa h ASN 173 Cb 0.40 -0.10 -0.08 0.00 0.05 0.00 0.00 38.32 38.58 3gaa h ASN 173 CO -0.23 0.74 0.48 -0.33 -1.65 0.00 0.00 177.43 176.43 3gaa h GLU 174 N -0.02 0.72 0.00 0.81 4.39 -1.04 -0.93 114.58 118.52 3gaa h GLU 174 Ca 0.03 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 3gaa h GLU 174 Cb 0.62 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3gaa h GLU 174 CO 0.03 0.48 -0.00 0.00 -1.16 0.00 0.00 179.01 178.36 3gaa h LEU 176 N -0.21 0.92 -0.22 0.00 -0.00 -0.09 -0.35 115.31 115.36 3gaa h LEU 176 Ca -0.00 0.02 -0.20 0.00 -0.00 0.00 0.00 57.88 57.70 3gaa h LEU 176 Cb 0.21 -0.17 0.01 0.00 -0.00 0.00 0.00 40.66 40.70 3gaa h LEU 176 CO 0.00 0.58 -0.65 0.58 -0.00 0.00 0.00 178.44 178.94 3gaa h VAL 177 N 1.05 1.28 0.00 1.22 2.07 -1.04 -3.12 116.25 117.70 3gaa h VAL 177 Ca 0.41 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 66.09 3gaa h VAL 177 Cb 0.21 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3gaa h VAL 177 CO -0.18 0.59 0.00 0.54 0.02 0.00 0.00 177.57 178.54 3gaa n ARG 178 N -3.99 0.34 -3.97 1.57 1.74 -0.28 -4.90 116.66 107.17 3gaa n ARG 178 Ca -0.06 0.07 -0.30 0.00 -0.77 0.00 0.00 57.85 56.79 3gaa n ARG 178 Cb 0.68 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.63 3gaa n ARG 178 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3gaa n LYS 179 N -1.27 -4.71 -4.07 5.56 5.02 -0.22 -5.04 118.16 113.43 3gaa n LYS 179 Ca 0.11 0.53 -0.32 0.00 -2.02 0.00 0.00 58.31 56.61 3gaa n LYS 179 Cb 0.17 -5.28 -0.07 0.00 -0.02 0.00 0.00 35.03 29.84 3gaa n LYS 179 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gaa s ILE 180 N -3.40 4.74 -0.08 -0.18 1.01 -1.01 -5.05 121.20 117.23 3gaa s ILE 180 Ca 0.55 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 60.43 3gaa s ILE 180 Cb -0.28 -3.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 3gaa s ILE 180 CO 0.86 0.29 1.23 -0.89 0.00 0.00 0.00 174.94 176.42 3gaa s THR 181 N -1.26 4.24 -0.09 2.92 2.01 -1.22 -4.39 115.64 117.85 3gaa s THR 181 Ca 0.25 1.55 0.02 0.00 0.31 0.00 0.00 61.69 63.82 3gaa s THR 181 Cb -0.12 -4.00 0.01 0.00 0.01 0.00 0.00 72.50 68.41 3gaa s THR 181 CO 0.17 -0.04 -0.14 -0.83 -0.69 0.00 0.00 174.62 173.08 3gaa s GLY 182 N 1.64 0.95 0.27 4.40 0.00 -1.26 -1.11 107.32 112.21 3gaa s GLY 182 Ca 0.56 -0.61 0.02 0.00 0.00 0.00 0.00 44.72 44.69 3gaa s GLY 182 CO 0.20 0.17 0.08 0.48 0.00 0.00 0.00 173.10 174.03 3gaa s LEU 183 N 0.84 1.78 0.01 0.66 -0.00 -0.72 -4.63 118.68 116.62 3gaa s LEU 183 Ca -0.10 -1.38 0.05 0.00 -0.00 0.00 0.00 54.13 52.70 3gaa s LEU 183 Cb -0.15 -0.08 -0.02 0.00 -0.00 0.00 0.00 46.19 45.94 3gaa s LEU 183 CO 0.01 -0.69 -0.15 -0.55 -0.00 0.00 0.00 176.35 174.97 3gaa s SER 184 N -3.35 1.76 -0.10 1.48 0.15 0.11 -0.76 113.70 112.99 3gaa s SER 184 Ca 0.37 -0.35 -0.01 0.00 0.70 0.00 0.00 55.95 56.66 3gaa s SER 184 Cb 0.08 -0.16 -0.03 0.00 -1.71 0.00 0.00 66.02 64.20 3gaa s SER 184 CO 0.14 0.13 -0.06 -0.36 1.20 0.00 0.00 173.24 174.29 3gaa s PHE 185 N -0.56 2.97 -0.01 3.44 0.08 -0.30 -1.49 117.98 122.10 3gaa s PHE 185 Ca 0.04 -0.10 0.06 0.00 0.12 0.00 0.00 56.93 57.05 3gaa s PHE 185 Cb -0.07 -1.79 -0.02 0.00 -0.57 0.00 0.00 43.02 40.57 3gaa s PHE 185 CO 0.00 0.20 -0.19 0.42 -0.10 0.00 0.00 175.22 175.55 3gaa s ILE 186 N -0.41 1.53 -0.02 0.64 1.09 0.04 -0.94 121.20 123.14 3gaa s ILE 186 Ca 0.06 -0.84 0.02 0.00 -1.10 0.00 0.00 60.65 58.79 3gaa s ILE 186 Cb -0.12 -1.27 0.00 0.00 -1.06 0.00 0.00 42.46 40.01 3gaa s ILE 186 CO 0.02 0.42 -0.07 0.28 -0.10 0.00 0.00 174.94 175.49 3gaa s THR 187 N -0.47 0.58 0.33 2.92 -1.32 -0.55 -0.37 115.64 116.76 3gaa s THR 187 Ca 0.07 -0.28 -0.29 0.00 -1.21 0.00 0.00 61.69 59.99 3gaa s THR 187 Cb -0.07 -0.52 -0.11 0.00 -1.51 0.00 0.00 72.50 70.29 3gaa s THR 187 CO -0.01 0.18 1.44 -2.84 -2.21 0.00 0.00 174.62 171.18 3gaa s PRO 188 N 0.09 4.22 -0.01 7.08 0.02 -1.26 -1.09 135.00 144.04 3gaa s PRO 188 Ca -0.01 2.41 -0.01 0.00 0.02 0.00 0.00 61.00 63.42 3gaa s PRO 188 Cb -0.06 -3.03 0.01 0.00 0.02 0.00 0.00 34.50 31.43 3gaa s PRO 188 CO -0.00 -0.42 0.03 -0.08 -0.33 0.00 0.00 177.00 176.20 3gaa s THR 189 N -0.76 -0.01 0.15 0.99 -1.32 0.55 -4.72 115.64 110.53 3gaa s THR 189 Ca 0.54 0.04 -0.31 0.00 -1.21 0.00 0.00 61.69 60.75 3gaa s THR 189 Cb -0.44 -0.05 -0.09 0.00 -1.51 0.00 0.00 72.50 70.40 3gaa s THR 189 CO 0.54 0.02 1.52 -0.55 -2.21 0.00 0.00 174.62 173.94 3gaa s SER 190 N 0.22 6.65 -0.03 8.08 0.15 -1.26 -0.45 113.70 127.05 3gaa s SER 190 Ca -0.02 2.54 -0.23 0.00 0.70 0.00 0.00 55.95 58.94 3gaa s SER 190 Cb -0.03 -2.59 -0.24 0.00 -1.71 0.00 0.00 66.02 61.45 3gaa s SER 190 CO -0.01 -0.78 1.04 -0.37 1.20 0.00 0.00 173.24 174.33 3gaa h VAL 191 N 4.07 1.51 0.37 4.45 -1.51 -1.79 -3.39 116.25 119.97 3gaa h VAL 191 Ca -0.42 -2.03 -0.02 0.00 -1.23 0.00 0.00 66.70 62.99 3gaa h VAL 191 Cb 1.21 2.74 0.00 0.00 -2.13 0.00 0.00 31.29 33.11 3gaa h VAL 191 CO 0.90 0.57 -0.18 0.44 -1.23 0.00 0.00 177.57 178.07 3gaa h ASP 192 N -0.37 -0.43 -2.95 4.19 3.45 -1.93 -3.47 116.42 114.92 3gaa h ASP 192 Ca -0.05 -0.03 -0.54 0.00 0.43 0.00 0.00 57.03 56.83 3gaa h ASP 192 Cb 1.15 0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 40.00 3gaa h ASP 192 CO 0.08 0.02 -0.31 0.27 -1.57 0.00 0.00 179.24 177.72 3gaa s ILE 193 N -3.36 5.18 0.45 0.35 -0.00 -1.26 -5.05 121.20 117.50 3gaa s ILE 193 Ca -0.09 -0.24 -0.25 0.00 -0.00 0.00 0.00 60.65 60.07 3gaa s ILE 193 Cb 0.01 -3.71 -0.08 0.00 -0.00 0.00 0.00 42.46 38.68 3gaa s ILE 193 CO 0.27 -0.14 1.39 -2.84 -0.00 0.00 0.00 174.94 173.63 3gaa s PRO 194 N -3.20 3.71 -0.43 0.37 0.02 -1.26 -4.67 135.00 129.54 3gaa s PRO 194 Ca 0.39 2.34 0.07 0.00 0.02 0.00 0.00 61.00 63.83 3gaa s PRO 194 Cb -0.11 -2.64 0.24 0.00 0.02 0.00 0.00 34.50 32.00 3gaa s PRO 194 CO 0.28 -0.77 0.53 -3.47 -0.33 0.00 0.00 177.00 173.24 3gaa n ASP 195 N -0.19 0.57 0.25 2.53 2.03 -1.26 -4.96 116.55 115.51 3gaa n ASP 195 Ca 0.05 -2.75 0.11 0.00 0.52 0.00 0.00 54.79 52.72 3gaa n ASP 195 Cb 0.42 -0.64 0.72 0.00 -0.72 0.00 0.00 41.12 40.91 3gaa n ASP 195 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3gaa h PRO 196 N 4.24 0.00 0.00 -0.67 0.11 -1.92 -1.69 132.00 132.06 3gaa h PRO 196 Ca 0.11 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 3gaa h PRO 196 Cb 0.86 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 3gaa h PRO 196 CO 0.50 0.00 -0.05 0.78 -0.21 0.00 0.00 178.00 179.02 3gaa h GLY 197 N 0.00 0.00 0.81 -0.55 0.00 -1.98 -0.66 103.07 100.69 3gaa h GLY 197 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 3gaa h GLY 197 CO -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 176.54 176.29 3gaa h ALA 198 N 1.95 -0.69 -0.61 3.60 0.00 -1.59 -1.98 119.26 119.95 3gaa h ALA 198 Ca -0.00 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.78 3gaa h ALA 198 Cb 0.23 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3gaa h ALA 198 CO 0.01 -0.78 0.32 0.28 0.00 0.00 0.00 179.25 179.07 3gaa h VAL 199 N -0.89 0.95 -0.55 0.00 2.07 -1.56 -2.46 116.25 113.81 3gaa h VAL 199 Ca -0.07 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.30 3gaa h VAL 199 Cb 0.60 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 3gaa h VAL 199 CO 0.12 0.11 0.26 0.25 0.02 0.00 0.00 177.57 178.32 3gaa h LEU 200 N 0.60 0.34 -0.94 2.57 5.85 -1.07 -1.60 115.31 121.06 3gaa h LEU 200 Ca 0.27 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 3gaa h LEU 200 Cb 0.18 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 3gaa h LEU 200 CO -0.18 0.23 0.57 0.28 -0.34 0.00 0.00 178.44 179.00 3gaa h SER 201 N 0.49 1.12 -0.53 1.25 0.02 -0.90 -1.31 113.55 113.69 3gaa h SER 201 Ca 0.26 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 3gaa h SER 201 Cb 0.21 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3gaa h SER 201 CO -0.21 0.85 0.11 0.40 -1.14 0.00 0.00 176.83 176.85 3gaa h ILE 202 N 1.29 1.25 -0.17 3.27 5.03 -1.14 0.11 117.51 127.15 3gaa h ILE 202 Ca 0.34 -0.89 -0.05 0.00 -0.12 0.00 0.00 64.86 64.13 3gaa h ILE 202 Cb -0.07 0.82 -0.01 0.00 -3.03 0.00 0.00 36.82 34.53 3gaa h ILE 202 CO -0.06 0.32 -0.13 0.40 -0.68 0.00 0.00 178.15 178.00 3gaa h ILE 203 N 0.74 1.19 0.01 -0.67 1.08 -0.74 -0.67 117.51 118.45 3gaa h ILE 203 Ca 0.16 -0.82 -0.26 0.00 -0.39 0.00 0.00 64.86 63.56 3gaa h ILE 203 Cb 0.36 1.21 0.02 0.00 -3.07 0.00 0.00 36.82 35.33 3gaa h ILE 203 CO 0.00 0.26 -1.04 -0.33 -0.69 0.00 0.00 178.15 176.36 3gaa h GLU 204 N 0.25 0.61 -0.18 2.37 5.08 -0.90 -1.93 114.58 119.88 3gaa h GLU 204 Ca 0.05 -0.67 0.05 0.00 -1.00 0.00 0.00 59.36 57.80 3gaa h GLU 204 Cb 0.39 0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.76 3gaa h GLU 204 CO 0.02 1.27 -0.34 0.00 -1.00 0.00 0.00 179.01 178.96 3gaa h ALA 205 N 0.50 -0.38 -0.95 3.43 0.00 -0.34 -0.50 119.26 121.02 3gaa h ALA 205 Ca -0.12 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.88 3gaa h ALA 205 Cb 1.69 0.67 -0.06 0.00 0.00 0.00 0.00 17.79 20.08 3gaa h ALA 205 CO 0.20 -0.81 0.61 0.82 0.00 0.00 0.00 179.25 180.06 3gaa h ILE 206 N -0.39 1.09 -0.34 0.00 2.04 -1.08 0.26 117.51 119.09 3gaa h ILE 206 Ca 0.11 -0.38 -0.11 0.00 1.00 0.00 0.00 64.86 65.47 3gaa h ILE 206 Cb 0.56 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 3gaa h ILE 206 CO -0.40 0.20 -0.26 0.78 0.00 0.00 0.00 178.15 178.48 3gaa h ASN 207 N 1.12 0.70 -0.10 1.72 2.35 -0.86 -1.12 115.58 119.39 3gaa h ASN 207 Ca 0.40 -0.26 -0.13 0.00 -0.55 0.00 0.00 56.30 55.77 3gaa h ASN 207 Cb 0.14 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3gaa h ASN 207 CO -0.16 0.93 -0.37 0.50 -1.65 0.00 0.00 177.43 176.68 3gaa h LYS 208 N 0.59 0.61 0.16 0.81 1.63 -0.44 -1.74 116.57 118.19 3gaa h LYS 208 Ca 0.08 -0.30 -0.30 0.00 -0.85 0.00 0.00 60.65 59.28 3gaa h LYS 208 Cb 0.75 -0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.39 3gaa h LYS 208 CO 0.06 0.89 -1.35 0.00 -3.45 0.00 0.00 179.45 175.60 3gaa h ALA 209 N 1.08 0.06 0.00 5.00 0.00 -0.61 -3.40 119.26 121.39 3gaa h ALA 209 Ca 0.05 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 54.04 3gaa h ALA 209 Cb 0.87 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3gaa h ALA 209 CO 0.08 0.93 0.00 0.66 0.00 0.00 0.00 179.25 180.91 3gaa n TYR 210 N -3.57 0.00 -2.20 0.00 4.01 -0.46 -5.01 117.16 109.94 3gaa n TYR 210 Ca -0.12 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.52 3gaa n TYR 210 Cb 1.05 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.06 3gaa n TYR 210 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3gaa n ASN 211 N -0.00 -3.35 -4.62 7.72 4.05 -0.65 -4.91 115.26 113.50 3gaa n ASN 211 Ca 0.00 0.24 -0.31 0.00 0.45 0.00 0.00 54.58 54.96 3gaa n ASN 211 Cb 0.11 -2.93 0.18 0.00 1.23 0.00 0.00 39.78 38.37 3gaa n ASN 211 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3gaa n LEU 212 N -2.53 2.44 -3.28 1.20 4.77 -1.26 -4.94 117.00 113.39 3gaa n LEU 212 Ca -0.12 0.34 -0.26 0.00 -0.03 0.00 0.00 56.01 55.94 3gaa n LEU 212 Cb 0.54 -1.43 -0.07 0.00 -2.33 0.00 0.00 43.42 40.14 3gaa n LEU 212 CO 0.15 -2.42 -0.03 0.29 -1.33 0.00 0.00 177.39 174.05 3gaa n LYS 213 N -4.11 2.08 -2.29 3.23 5.02 -1.26 -4.64 118.16 116.19 3gaa n LYS 213 Ca 0.10 -4.26 -0.41 0.00 -2.02 0.00 0.00 58.31 51.73 3gaa n LYS 213 Cb 0.52 -1.96 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 3gaa n LYS 213 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gaa s ILE 214 N -2.42 3.14 -0.02 -0.18 1.01 -1.26 -4.96 121.20 116.50 3gaa s ILE 214 Ca 0.40 1.11 -0.20 0.00 0.00 0.00 0.00 60.65 61.97 3gaa s ILE 214 Cb 0.18 -3.71 -0.33 0.00 0.01 0.00 0.00 42.46 38.61 3gaa s ILE 214 CO -0.06 0.25 0.93 0.11 0.00 0.00 0.00 174.94 176.18 3gaa h LYS 215 N 3.87 0.40 0.00 2.79 1.57 -1.98 -3.48 116.57 119.73 3gaa h LYS 215 Ca -0.47 -0.68 0.00 0.00 -1.87 0.00 0.00 60.65 57.63 3gaa h LYS 215 Cb 1.22 0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.78 3gaa h LYS 215 CO 0.68 1.33 0.00 0.25 -0.57 0.00 0.00 179.45 181.13 3gaa n THR 216 N -3.96 0.00 -1.68 -0.16 -2.24 -1.26 -4.99 114.28 99.98 3gaa n THR 216 Ca -0.15 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.18 3gaa n THR 216 Cb 0.94 -0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.94 3gaa n THR 216 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3gaa n ASP 217 N 0.00 3.58 -2.66 3.42 8.00 -1.26 -2.64 116.55 124.99 3gaa n ASP 217 Ca 0.00 1.02 -0.18 0.00 0.71 0.00 0.00 54.79 56.34 3gaa n ASP 217 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 39.63 3gaa n ASP 217 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3gaa n LEU 218 N 4.99 -1.75 0.06 0.64 4.32 -1.26 -4.88 117.00 119.12 3gaa n LEU 218 Ca 0.19 -0.04 -0.03 0.00 -0.02 0.00 0.00 56.01 56.10 3gaa n LEU 218 Cb 0.32 -2.56 0.20 0.00 -1.62 0.00 0.00 43.42 39.76 3gaa n LEU 218 CO 0.67 -0.05 0.65 0.25 -1.22 0.00 0.00 177.39 177.68 3gaa h LEU 219 N -0.39 0.35 -0.16 2.23 6.46 -1.92 -1.62 115.31 120.25 3gaa h LEU 219 Ca -0.42 -0.14 -0.16 0.00 -0.12 0.00 0.00 57.88 57.04 3gaa h LEU 219 Cb 1.30 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.14 3gaa h LEU 219 CO 0.49 0.71 -0.52 -0.33 -0.62 0.00 0.00 178.44 178.17 3gaa h GLU 220 N 0.28 0.64 -0.53 1.25 3.07 -1.90 -1.32 114.58 116.07 3gaa h GLU 220 Ca 0.03 -0.47 -0.11 0.00 -0.50 0.00 0.00 59.36 58.31 3gaa h GLU 220 Cb 0.81 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.79 3gaa h GLU 220 CO 0.06 1.09 -0.10 0.93 -1.40 0.00 0.00 179.01 179.59 3gaa h GLU 221 N 0.31 1.00 -0.34 2.33 4.39 -1.94 -1.09 114.58 119.24 3gaa h GLU 221 Ca -0.02 -0.36 -0.11 0.00 0.34 0.00 0.00 59.36 59.21 3gaa h GLU 221 Cb 1.14 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 3gaa h GLU 221 CO 0.11 1.04 -0.26 0.37 -1.16 0.00 0.00 179.01 179.11 3gaa h GLN 222 N 0.89 0.68 0.05 2.33 4.15 -1.16 -2.78 115.11 119.26 3gaa h GLN 222 Ca 0.14 -0.28 -0.25 0.00 0.77 0.00 0.00 58.65 59.03 3gaa h GLN 222 Cb 0.66 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.30 3gaa h GLN 222 CO 0.05 0.87 -1.21 0.28 -1.93 0.00 0.00 178.83 176.88 3gaa h VAL 223 N 0.59 1.49 -0.69 2.39 2.07 -0.94 -2.55 116.25 118.62 3gaa h VAL 223 Ca 0.08 -3.17 0.02 0.00 0.82 0.00 0.00 66.70 64.44 3gaa h VAL 223 Cb 0.74 2.81 -0.04 0.00 -1.52 0.00 0.00 31.29 33.29 3gaa h VAL 223 CO 0.06 0.88 0.45 0.11 0.02 0.00 0.00 177.57 179.09 3gaa h LYS 224 N 0.03 0.87 -0.36 1.57 1.57 -1.19 0.63 116.57 119.70 3gaa h LYS 224 Ca -0.10 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3gaa h LYS 224 Cb 1.88 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.97 3gaa h LYS 224 CO 0.15 0.58 0.21 0.00 -0.57 0.00 0.00 179.45 179.81 3gaa h ALA 225 N 1.27 0.45 -0.57 3.86 0.00 -1.39 -2.19 119.26 120.68 3gaa h ALA 225 Ca 0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3gaa h ALA 225 Cb -0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3gaa h ALA 225 CO -0.08 -0.14 0.28 -0.07 0.00 0.00 0.00 179.25 179.25 3gaa h LEU 226 N 0.43 0.74 -0.31 0.00 3.38 -1.13 -3.04 115.31 115.39 3gaa h LEU 226 Ca 0.14 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.05 3gaa h LEU 226 Cb -0.00 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.48 3gaa h LEU 226 CO -0.06 0.66 -0.31 -0.78 0.09 0.00 0.00 178.44 178.03 3gaa h ASP 227 N 0.78 -1.02 -0.30 -0.43 1.82 -0.40 0.16 116.42 117.02 3gaa h ASP 227 Ca 0.20 0.17 0.07 0.00 -0.39 0.00 0.00 57.03 57.08 3gaa h ASP 227 Cb 0.11 0.47 -0.06 0.00 0.68 0.00 0.00 39.33 40.52 3gaa h ASP 227 CO -0.03 -0.32 -0.12 -0.33 -1.61 0.00 0.00 179.24 176.83 3gaa h GLU 228 N -0.29 -0.07 -0.01 0.28 4.39 -1.34 0.97 114.58 118.51 3gaa h GLU 228 Ca 0.15 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.89 3gaa h GLU 228 Cb 0.53 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.14 3gaa h GLU 228 CO -0.47 -0.05 -0.32 1.96 -1.16 0.00 0.00 179.01 178.98 3gaa h GLN 229 N -0.07 -0.45 -0.92 2.33 4.20 -1.28 -1.41 115.11 117.51 3gaa h GLN 229 Ca 0.15 0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.98 3gaa h GLN 229 Cb 0.31 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.12 3gaa h GLN 229 CO -0.35 -0.30 0.60 0.82 -0.67 0.00 0.00 178.83 178.93 3gaa h ILE 230 N -0.46 1.02 -0.54 2.54 5.03 -0.15 -2.34 117.51 122.61 3gaa h ILE 230 Ca 0.06 -0.34 -0.03 0.00 -0.12 0.00 0.00 64.86 64.43 3gaa h ILE 230 Cb 0.55 -0.06 -0.02 0.00 -3.03 0.00 0.00 36.82 34.26 3gaa h ILE 230 CO -0.27 0.18 0.23 0.50 -0.68 0.00 0.00 178.15 178.11 3gaa h LYS 231 N 0.99 0.80 -0.72 2.37 3.11 -0.30 0.42 116.57 123.25 3gaa h LYS 231 Ca 0.41 -0.14 0.11 0.00 -2.81 0.00 0.00 60.65 58.22 3gaa h LYS 231 Cb 0.30 -0.13 -0.05 0.00 -1.00 0.00 0.00 32.23 31.34 3gaa h LYS 231 CO -0.17 0.69 0.47 0.87 -2.81 0.00 0.00 179.45 178.50 3gaa h LYS 232 N 0.73 0.54 0.10 1.90 1.57 -0.72 -1.72 116.57 118.97 3gaa h LYS 232 Ca 0.18 -0.03 -0.33 0.00 -1.87 0.00 0.00 60.65 58.60 3gaa h LYS 232 Cb 0.17 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3gaa h LYS 232 CO -0.02 0.36 -1.77 0.82 -0.57 0.00 0.00 179.45 178.27 3gaa h ILE 233 N 0.56 0.86 -0.63 1.86 2.04 -1.22 -1.64 117.51 119.34 3gaa h ILE 233 Ca 0.34 -2.58 0.13 0.00 1.00 0.00 0.00 64.86 63.75 3gaa h ILE 233 Cb 0.56 2.59 -0.12 0.00 -0.74 0.00 0.00 36.82 39.11 3gaa h ILE 233 CO -0.11 0.78 -0.15 -0.33 0.00 0.00 0.00 178.15 178.33 3gaa h GLU 234 N 0.06 0.00 -0.21 2.37 5.08 -0.75 -0.36 114.58 120.76 3gaa h GLU 234 Ca -0.33 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.87 3gaa h GLU 234 Cb 2.03 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 3gaa h GLU 234 CO 0.12 0.00 -0.50 0.93 -1.00 0.00 0.00 179.01 178.56 3gaa h GLU 235 N 0.00 0.71 0.00 2.33 5.08 -1.29 -1.70 114.58 119.72 3gaa h GLU 235 Ca 0.30 -0.48 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 3gaa h GLU 235 Cb 0.46 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3gaa h GLU 235 CO -0.64 1.11 -0.20 1.96 -1.00 0.00 0.00 179.01 180.23 3gaa h GLN 236 N 0.43 0.00 -0.08 2.33 4.20 -1.21 -2.74 115.11 118.04 3gaa h GLN 236 Ca -0.00 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 3gaa h GLN 236 Cb 1.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.89 3gaa h GLN 236 CO 0.11 0.20 -0.80 -0.92 -0.67 0.00 0.00 178.83 176.75 3gaa h TYR 237 N 0.00 0.74 -0.18 2.96 3.20 -0.73 -0.23 116.97 122.73 3gaa h TYR 237 Ca -0.00 -0.34 -0.01 0.00 3.14 0.00 0.00 58.73 61.52 3gaa h TYR 237 Cb 0.93 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 3gaa h TYR 237 CO 0.00 1.14 0.08 0.87 -1.64 0.00 0.00 178.16 178.61 3gaa h LYS 238 N 0.35 0.26 -1.01 1.82 1.57 -1.24 0.02 116.57 118.34 3gaa h LYS 238 Ca -0.05 -0.04 0.19 0.00 -1.87 0.00 0.00 60.65 58.87 3gaa h LYS 238 Cb 1.40 -0.05 -0.11 0.00 0.08 0.00 0.00 32.23 33.56 3gaa h LYS 238 CO 0.15 0.31 0.61 0.93 -0.57 0.00 0.00 179.45 180.88 3gaa h GLU 239 N 0.15 0.76 -0.16 3.15 5.08 -1.42 0.21 114.58 122.34 3gaa h GLU 239 Ca 0.06 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3gaa h GLU 239 Cb 0.14 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3gaa h GLU 239 CO -0.01 0.50 0.02 1.25 -1.00 0.00 0.00 179.01 179.77 3gaa h LEU 240 N 0.78 0.26 -1.48 1.33 5.85 -0.57 -2.74 115.31 118.74 3gaa h LEU 240 Ca 0.58 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.97 3gaa h LEU 240 Cb 0.88 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 3gaa h LEU 240 CO -0.38 0.47 -0.26 1.56 -0.34 0.00 0.00 178.44 179.49 3gaa h GLN 241 N 0.04 0.00 0.46 1.25 4.20 0.11 -0.23 115.11 120.94 3gaa h GLN 241 Ca 0.05 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 3gaa h GLN 241 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3gaa h GLN 241 CO 0.00 0.26 -0.22 1.49 -0.67 0.00 0.00 178.83 179.70 3gaa h GLU 242 N 0.00 -0.60 -1.13 1.46 4.57 -0.66 -3.20 114.58 115.03 3gaa h GLU 242 Ca -0.00 0.04 0.34 0.00 -1.18 0.00 0.00 59.36 58.56 3gaa h GLU 242 Cb 0.53 0.14 -0.12 0.00 -0.16 0.00 0.00 28.75 29.13 3gaa h GLU 242 CO 0.03 -0.40 0.71 0.87 -1.18 0.00 0.00 179.01 179.04 3gaa h LYS 243 N -0.79 0.26 -0.00 1.92 1.57 -1.36 -3.04 116.57 115.13 3gaa h LYS 243 Ca -0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3gaa h LYS 243 Cb 0.47 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 3gaa h LYS 243 CO 0.10 0.17 0.16 1.96 -0.57 0.00 0.00 179.45 181.27 3gaa h GLN 244 N 0.27 0.00 -0.14 3.15 4.20 -1.02 -2.45 115.11 119.11 3gaa h GLN 244 Ca 0.71 0.00 0.01 0.00 0.06 0.00 0.00 58.65 59.44 3gaa h GLN 244 Cb 1.93 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.69 3gaa h GLN 244 CO -0.42 0.00 -0.09 0.87 -0.67 0.00 0.00 178.83 178.52 3gaa h LYS 245 N 0.00 -0.01 -0.00 1.46 1.57 -1.69 -3.51 116.57 114.39 3gaa h LYS 245 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gaa h LYS 245 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3gaa h LYS 245 CO -0.00 -0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.27