#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gaa s MET 6 N 0.00 0.19 1.12 0.38 0.23 -1.26 -5.15 119.30 114.81 3gaa s MET 6 Ca 0.00 0.42 -0.14 0.00 -1.03 0.00 0.00 55.69 54.93 3gaa s MET 6 Cb 0.00 0.24 0.20 0.00 -1.53 0.00 0.00 34.83 33.75 3gaa s MET 6 CO 0.00 -0.12 0.68 0.28 -2.03 0.00 0.00 175.02 173.83 3gaa n VAL 7 N 5.09 0.00 -3.15 5.16 0.31 -1.26 -4.97 118.33 119.52 3gaa n VAL 7 Ca -0.08 -0.34 0.04 0.00 -0.01 0.00 0.00 64.34 63.95 3gaa n VAL 7 Cb 0.54 -0.85 -0.01 0.00 -0.91 0.00 0.00 33.84 32.61 3gaa n VAL 7 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3gaa s ASN 8 N -2.23 -1.22 0.27 4.52 3.84 -1.26 -5.15 114.94 113.70 3gaa s ASN 8 Ca 0.64 0.55 -0.16 0.00 0.21 0.00 0.00 52.86 54.09 3gaa s ASN 8 Cb -0.21 1.94 -0.08 0.00 -0.55 0.00 0.00 41.25 42.35 3gaa s ASN 8 CO 0.65 -0.23 0.70 -0.54 -2.79 0.00 0.00 177.10 174.90 3gaa s LYS 9 N 2.88 4.07 0.10 0.43 -0.14 -1.26 -4.99 119.74 120.83 3gaa s LYS 9 Ca 0.15 0.70 -0.22 0.00 -1.36 0.00 0.00 55.97 55.24 3gaa s LYS 9 Cb -0.12 -2.65 -0.06 0.00 -1.68 0.00 0.00 37.83 33.33 3gaa s LYS 9 CO -0.21 0.28 1.37 0.87 -0.76 0.00 0.00 175.35 176.90 3gaa h LYS 10 N 2.79 -0.08 0.00 1.68 1.79 -2.03 -2.64 116.57 118.08 3gaa h LYS 10 Ca -0.48 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 3gaa h LYS 10 Cb 1.18 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 3gaa h LYS 10 CO 0.66 -0.06 0.00 0.00 -1.08 0.00 0.00 179.45 178.97 3gaa n ALA 11 N -3.11 2.06 1.30 3.86 0.00 -1.26 -3.19 120.51 120.18 3gaa n ALA 11 Ca 0.00 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.49 3gaa n ALA 11 Cb 0.20 -1.38 0.42 0.00 0.00 0.00 0.00 19.45 18.68 3gaa n ALA 11 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gaa n SER 12 N -1.53 1.84 -0.35 0.00 3.41 -0.99 -4.41 113.62 111.58 3gaa n SER 12 Ca 0.06 -1.64 0.01 0.00 -0.26 0.00 0.00 58.87 57.03 3gaa n SER 12 Cb 0.28 -0.04 0.07 0.00 -0.26 0.00 0.00 64.21 64.25 3gaa n SER 12 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3gaa n GLU 13 N 0.44 -0.17 0.05 4.33 0.00 -1.19 0.03 120.64 124.12 3gaa n GLU 13 Ca 0.18 1.42 0.07 0.00 0.00 0.00 0.00 57.16 58.82 3gaa n GLU 13 Cb 0.39 -2.11 0.30 0.00 0.00 0.00 0.00 31.44 30.02 3gaa n GLU 13 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 3gaa n SER 14 N -5.40 0.21 -0.09 -1.84 7.64 -1.26 -1.03 113.62 111.85 3gaa n SER 14 Ca 0.11 0.57 -0.12 0.00 1.01 0.00 0.00 58.87 60.44 3gaa n SER 14 Cb 0.40 -0.61 -0.05 0.00 -1.01 0.00 0.00 64.21 62.93 3gaa n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gaa n GLN 15 N -1.75 0.50 -0.17 1.43 1.13 0.10 -0.77 117.38 117.85 3gaa n GLN 15 Ca 0.02 0.50 -0.01 0.00 -1.94 0.00 0.00 57.00 55.56 3gaa n GLN 15 Cb 0.11 -1.68 0.07 0.00 0.11 0.00 0.00 30.24 28.86 3gaa n GLN 15 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3gaa h VAL 16 N -1.00 0.61 -0.22 5.09 2.07 -1.02 -2.57 116.25 119.21 3gaa h VAL 16 Ca -0.15 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3gaa h VAL 16 Cb 0.86 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3gaa h VAL 16 CO -0.09 0.03 0.00 0.23 0.02 0.00 0.00 177.57 177.76 3gaa n MET 17 N -5.22 1.84 -3.66 1.57 2.81 -0.20 -4.94 117.12 109.32 3gaa n MET 17 Ca 0.06 -1.27 -0.25 0.00 -1.81 0.00 0.00 57.70 54.43 3gaa n MET 17 Cb 0.28 -1.40 0.01 0.00 -0.71 0.00 0.00 33.22 31.40 3gaa n MET 17 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 3gaa n GLU 18 N 0.50 -0.83 -1.31 0.03 0.00 -0.97 -4.86 120.64 113.20 3gaa n GLU 18 Ca 0.16 0.27 0.03 0.00 0.00 0.00 0.00 57.16 57.61 3gaa n GLU 18 Cb 0.36 -1.53 0.09 0.00 0.00 0.00 0.00 31.44 30.36 3gaa n GLU 18 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 3gaa n LEU 19 N -2.80 1.95 0.14 -1.84 0.00 0.05 -4.87 117.00 109.63 3gaa n LEU 19 Ca -0.17 -2.98 0.01 0.00 0.00 0.00 0.00 56.01 52.87 3gaa n LEU 19 Cb 0.46 -0.18 0.16 0.00 0.00 0.00 0.00 43.42 43.86 3gaa n LEU 19 CO 0.49 0.99 0.50 -0.08 0.00 0.00 0.00 177.39 179.29 3gaa h GLU 20 N 1.21 0.00 0.00 1.96 4.57 -1.78 -2.99 114.58 117.54 3gaa h GLU 20 Ca -0.10 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3gaa h GLU 20 Cb 1.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.08 3gaa h GLU 20 CO 0.11 0.57 0.00 1.63 -1.18 0.00 0.00 179.01 180.15 3gaa n LYS 21 N -3.53 0.02 0.04 1.92 4.76 -1.12 -2.83 118.16 117.42 3gaa n LYS 21 Ca -0.00 0.38 -0.08 0.00 -2.87 0.00 0.00 58.31 55.74 3gaa n LYS 21 Cb 0.65 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 32.22 3gaa n LYS 21 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3gaa h ARG 22 N 0.00 0.01 -0.00 1.97 2.43 -1.85 -3.07 114.38 113.87 3gaa h ARG 22 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3gaa h ARG 22 Cb 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3gaa h ARG 22 CO 0.00 0.89 -0.01 0.09 -1.51 0.00 0.00 179.97 179.43 3gaa n ASN 23 N -3.28 0.01 -4.28 -3.80 5.03 -1.13 -4.88 115.26 102.94 3gaa n ASN 23 Ca -0.04 0.19 -0.26 0.00 0.87 0.00 0.00 54.58 55.34 3gaa n ASN 23 Cb 0.97 -0.39 -0.14 0.00 -1.02 0.00 0.00 39.78 39.20 3gaa n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3gaa s TYR 24 N -2.80 1.94 -1.03 3.10 2.02 -1.16 -4.86 117.35 114.55 3gaa s TYR 24 Ca 0.21 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.50 3gaa s TYR 24 Cb 0.20 -1.14 0.31 0.00 -0.40 0.00 0.00 41.96 40.93 3gaa s TYR 24 CO 0.50 0.12 1.61 0.09 -1.57 0.00 0.00 175.55 176.30 3gaa n ASN 25 N 1.71 6.73 -2.32 2.29 3.02 -0.69 -4.86 115.26 121.14 3gaa n ASN 25 Ca -0.17 -3.55 -0.10 0.00 -0.03 0.00 0.00 54.58 50.72 3gaa n ASN 25 Cb 0.53 -1.18 0.05 0.00 -0.61 0.00 0.00 39.78 38.56 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 0.62 -2.59 -4.80 6.41 5.15 -1.26 -4.54 115.26 114.25 3gaa n ASN 26 Ca 0.36 -0.33 -0.34 0.00 -0.60 0.00 0.00 54.58 53.67 3gaa n ASN 26 Cb 0.30 -3.06 -0.02 0.00 -0.53 0.00 0.00 39.78 36.48 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 -4.98 3.62 0.06 1.20 0.05 -1.26 -3.96 135.00 129.73 3gaa s PRO 27 Ca 0.08 1.32 -0.29 0.00 0.05 0.00 0.00 61.00 62.15 3gaa s PRO 27 Cb -0.03 -2.07 -0.05 0.00 0.05 0.00 0.00 34.50 32.40 3gaa s PRO 27 CO 0.41 -0.57 0.93 0.54 0.05 0.00 0.00 177.00 178.36 3gaa s VAL 28 N -2.13 4.68 -0.22 -0.36 0.11 -0.72 -0.62 120.40 121.14 3gaa s VAL 28 Ca 0.66 1.99 -0.05 0.00 -2.93 0.00 0.00 61.98 61.65 3gaa s VAL 28 Cb -0.17 -4.29 -0.02 0.00 -1.53 0.00 0.00 36.38 30.38 3gaa s VAL 28 CO 0.26 0.27 0.00 -0.69 -3.33 0.00 0.00 175.10 171.61 3gaa s VAL 29 N 0.37 3.82 -0.12 2.04 1.01 0.15 -1.13 120.40 126.53 3gaa s VAL 29 Ca 0.47 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 3gaa s VAL 29 Cb -0.22 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 3gaa s VAL 29 CO 0.28 0.40 0.11 -0.76 0.00 0.00 0.00 175.10 175.13 3gaa s LEU 30 N 1.36 4.19 0.01 3.92 1.43 -0.50 -1.08 118.68 128.00 3gaa s LEU 30 Ca 0.04 0.36 0.07 0.00 -1.03 0.00 0.00 54.13 53.58 3gaa s LEU 30 Cb -0.15 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 3gaa s LEU 30 CO 0.00 0.37 -0.22 0.00 0.23 0.00 0.00 176.35 176.74 3gaa s GLY 32 N -0.83 0.41 0.01 0.00 0.00 -0.85 -0.48 107.32 105.58 3gaa s GLY 32 Ca 0.08 -0.04 0.07 0.00 0.00 0.00 0.00 44.72 44.83 3gaa s GLY 32 CO 0.00 0.99 -0.22 -1.36 0.00 0.00 0.00 173.10 172.52 3gaa s PHE 33 N 1.71 1.97 0.10 1.90 0.08 -1.26 -1.87 117.98 120.62 3gaa s PHE 33 Ca 0.01 -0.38 -0.31 0.00 0.12 0.00 0.00 56.93 56.37 3gaa s PHE 33 Cb -0.13 -1.23 -0.09 0.00 -0.57 0.00 0.00 43.02 41.00 3gaa s PHE 33 CO -0.04 0.03 1.70 0.00 -0.10 0.00 0.00 175.22 176.81 3gaa s ALA 34 N -0.64 3.73 0.00 5.36 0.00 -0.79 -4.23 121.76 125.19 3gaa s ALA 34 Ca 0.09 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.36 3gaa s ALA 34 Cb -0.09 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.32 3gaa s ALA 34 CO 0.00 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.08 3gaa n GLY 35 N 4.04 4.74 0.00 0.00 0.00 -1.26 -4.48 105.19 108.23 3gaa n GLY 35 Ca 0.16 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.70 1.61 3.41 -1.26 -4.78 113.62 107.90 3gaa n SER 36 Ca 0.00 0.05 -0.33 0.00 -0.26 0.00 0.00 58.87 58.33 3gaa n SER 36 Cb 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.07 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 -0.10 2.10 -2.34 6.66 -4.23 -1.26 -4.92 115.64 111.54 3gaa s THR 37 Ca 0.00 0.04 0.21 0.00 -1.18 0.00 0.00 61.69 60.76 3gaa s THR 37 Cb 0.00 -2.47 0.44 0.00 1.34 0.00 0.00 72.50 71.81 3gaa s THR 37 CO 0.00 -0.03 1.46 -0.81 -0.54 0.00 0.00 174.62 174.70 3gaa n PRO 38 N -3.24 2.11 -0.18 3.99 -0.04 -1.26 -4.65 135.00 131.73 3gaa n PRO 38 Ca 0.13 -1.68 -0.09 0.00 -0.04 0.00 0.00 63.50 61.83 3gaa n PRO 38 Cb 0.50 -1.44 0.01 0.00 -0.04 0.00 0.00 33.50 32.53 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 3.26 1.24 -0.93 0.52 1.35 -1.92 -2.24 112.91 114.19 3gaa h THR 39 Ca 0.00 -0.81 0.09 0.00 -0.55 0.00 0.00 66.41 65.14 3gaa h THR 39 Cb 0.72 0.77 -0.12 0.00 -1.73 0.00 0.00 68.15 67.80 3gaa h THR 39 CO 0.00 0.30 -0.58 1.23 -0.25 0.00 0.00 175.52 176.22 3gaa h GLY 40 N 0.72 -0.88 1.75 5.82 0.00 -1.83 0.26 103.07 108.92 3gaa h GLY 40 Ca 0.17 0.80 -0.17 0.00 0.00 0.00 0.00 47.33 48.12 3gaa h GLY 40 CO -0.00 0.02 -0.73 -0.24 0.00 0.00 0.00 176.54 175.59 3gaa h VAL 41 N -0.04 1.43 -0.68 4.60 3.04 -1.70 -1.16 116.25 121.74 3gaa h VAL 41 Ca 0.15 -2.25 0.04 0.00 -1.01 0.00 0.00 66.70 63.63 3gaa h VAL 41 Cb 0.42 2.20 -0.05 0.00 -2.01 0.00 0.00 31.29 31.85 3gaa h VAL 41 CO -0.90 0.66 0.41 -0.07 -1.01 0.00 0.00 177.57 176.66 3gaa h LEU 42 N 0.16 0.64 -0.55 3.16 3.38 -1.00 -1.52 115.31 119.58 3gaa h LEU 42 Ca -0.02 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3gaa h LEU 42 Cb 1.29 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 3gaa h LEU 42 CO 0.11 0.44 -0.03 0.00 0.09 0.00 0.00 178.44 179.05 3gaa h ALA 43 N 1.31 0.74 0.05 1.53 0.00 -0.12 -1.69 119.26 121.08 3gaa h ALA 43 Ca 0.28 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3gaa h ALA 43 Cb 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3gaa h ALA 43 CO -0.14 0.60 -0.38 0.00 0.00 0.00 0.00 179.25 179.33 3gaa h ALA 44 N 0.95 -0.85 -0.74 0.00 0.00 -0.94 -2.04 119.26 115.63 3gaa h ALA 44 Ca 0.15 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.15 3gaa h ALA 44 Cb 0.58 0.80 -0.13 0.00 0.00 0.00 0.00 17.79 19.03 3gaa h ALA 44 CO 0.03 -0.96 -0.06 0.77 0.00 0.00 0.00 179.25 179.04 3gaa h SER 45 N -0.52 -0.46 -0.61 0.00 0.02 -1.19 0.16 113.55 110.95 3gaa h SER 45 Ca 0.00 0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 3gaa h SER 45 Cb 0.53 0.38 -0.03 0.00 0.14 0.00 0.00 62.40 63.43 3gaa h SER 45 CO -0.23 -0.20 0.24 0.22 -1.14 0.00 0.00 176.83 175.72 3gaa h TYR 46 N 0.06 0.92 -0.14 3.45 5.03 -1.16 -0.25 116.97 124.89 3gaa h TYR 46 Ca 0.39 -0.07 -0.07 0.00 2.58 0.00 0.00 58.73 61.56 3gaa h TYR 46 Cb 0.66 -0.28 -0.00 0.00 1.55 0.00 0.00 36.73 38.66 3gaa h TYR 46 CO -0.48 0.74 -0.20 0.97 -1.32 0.00 0.00 178.16 177.87 3gaa h ILE 47 N 0.84 1.36 -1.00 1.81 6.09 -0.41 0.19 117.51 126.39 3gaa h ILE 47 Ca 0.20 -1.42 0.24 0.00 -1.37 0.00 0.00 64.86 62.52 3gaa h ILE 47 Cb 0.20 1.96 -0.08 0.00 0.47 0.00 0.00 36.82 39.37 3gaa h ILE 47 CO -0.02 0.42 0.65 0.58 -3.07 0.00 0.00 178.15 176.71 3gaa h VAL 48 N -0.02 0.58 0.08 2.19 2.07 -0.51 0.61 116.25 121.25 3gaa h VAL 48 Ca 0.01 -0.14 -0.15 0.00 0.82 0.00 0.00 66.70 67.24 3gaa h VAL 48 Cb 0.76 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3gaa h VAL 48 CO 0.05 0.07 -0.74 -0.08 0.02 0.00 0.00 177.57 176.89 3gaa h GLU 49 N 0.41 0.17 -0.05 1.57 4.22 -0.33 -2.02 114.58 118.54 3gaa h GLU 49 Ca 0.55 -0.29 -0.18 0.00 0.08 0.00 0.00 59.36 59.53 3gaa h GLU 49 Cb 1.39 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 3gaa h GLU 49 CO -0.25 1.14 -0.73 1.79 -2.18 0.00 0.00 179.01 178.77 3gaa h THR 50 N -0.61 1.42 -0.05 0.32 1.35 -0.14 -1.03 112.91 114.17 3gaa h THR 50 Ca -0.15 -2.23 0.00 0.00 -0.55 0.00 0.00 66.41 63.47 3gaa h THR 50 Cb 1.44 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 70.05 3gaa h THR 50 CO 0.05 0.66 0.00 0.18 -0.25 0.00 0.00 175.52 176.16 3gaa n LEU 51 N -3.80 0.33 -4.02 3.87 4.77 0.16 -4.91 117.00 113.40 3gaa n LEU 51 Ca -0.03 -0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.38 3gaa n LEU 51 Cb 0.71 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.78 3gaa n LEU 51 CO 0.47 0.08 -0.17 0.61 -1.33 0.00 0.00 177.39 177.04 3gaa n GLY 52 N 0.75 -0.83 3.90 -0.72 0.00 -0.39 -4.84 105.19 103.05 3gaa n GLY 52 Ca 0.09 0.34 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 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 -7.00 3.64 0.09 1.61 1.00 -0.77 -4.77 119.30 113.09 3gaa s MET 53 Ca 0.40 0.24 0.09 0.00 0.00 0.00 0.00 55.69 56.42 3gaa s MET 53 Cb -0.22 -2.43 -0.04 0.00 0.00 0.00 0.00 34.83 32.14 3gaa s MET 53 CO 0.90 -0.07 -0.19 -3.38 0.00 0.00 0.00 175.02 172.28 3gaa s HIS 54 N -2.50 2.52 0.56 -0.03 -3.43 0.01 -4.87 115.29 107.55 3gaa s HIS 54 Ca 0.48 -0.28 -0.20 0.00 -0.80 0.00 0.00 55.06 54.26 3gaa s HIS 54 Cb -0.10 -1.38 -0.05 0.00 -1.43 0.00 0.00 32.58 29.62 3gaa s HIS 54 CO 0.38 0.33 1.21 -1.14 -2.00 0.00 0.00 174.74 173.51 3gaa s GLN 55 N -1.87 3.19 0.00 -0.38 0.74 -1.26 -1.76 119.66 118.31 3gaa s GLN 55 Ca 0.16 1.84 0.00 0.00 0.05 0.00 0.00 55.36 57.41 3gaa s GLN 55 Cb -0.10 -2.06 0.00 0.00 1.10 0.00 0.00 33.01 31.94 3gaa s GLN 55 CO 0.08 -1.04 0.00 1.55 -0.55 0.00 0.00 175.29 175.33 3gaa n VAL 56 N -1.28 0.00 -3.63 1.34 3.14 0.29 -4.84 118.33 113.35 3gaa n VAL 56 Ca 0.12 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.45 3gaa n VAL 56 Cb 0.49 0.02 -0.02 0.00 -1.06 0.00 0.00 33.84 33.28 3gaa n VAL 56 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3gaa s ALA 57 N -0.28 -1.81 0.07 1.55 0.00 -1.13 -5.01 121.76 115.15 3gaa s ALA 57 Ca 0.00 0.63 0.06 0.00 0.00 0.00 0.00 51.96 52.65 3gaa s ALA 57 Cb 0.00 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 3gaa s ALA 57 CO 0.00 -0.87 -0.15 -1.01 0.00 0.00 0.00 175.76 173.72 3gaa s HIS 58 N -3.07 1.30 -0.24 0.00 3.76 -1.26 -1.74 115.29 114.03 3gaa s HIS 58 Ca 0.09 -0.44 -0.14 0.00 -0.15 0.00 0.00 55.06 54.43 3gaa s HIS 58 Cb -0.01 -0.74 -0.04 0.00 1.11 0.00 0.00 32.58 32.91 3gaa s HIS 58 CO -0.03 0.08 0.31 -1.17 -0.85 0.00 0.00 174.74 173.07 3gaa s LEU 59 N -1.67 4.09 -0.08 0.89 2.96 -1.16 -5.00 118.68 118.70 3gaa s LEU 59 Ca -0.00 0.28 0.02 0.00 -0.22 0.00 0.00 54.13 54.21 3gaa s LEU 59 Cb -0.10 -2.34 -0.02 0.00 0.50 0.00 0.00 46.19 44.23 3gaa s LEU 59 CO 0.02 -0.08 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.19 3gaa s ILE 60 N 1.59 2.98 -0.27 6.68 -1.09 -1.26 -4.78 121.20 125.05 3gaa s ILE 60 Ca 0.14 -0.73 -0.26 0.00 -2.23 0.00 0.00 60.65 57.57 3gaa s ILE 60 Cb -0.15 -2.19 0.15 0.00 -1.58 0.00 0.00 42.46 38.69 3gaa s ILE 60 CO 0.08 0.56 1.20 -0.55 -1.23 0.00 0.00 174.94 175.01 3gaa s SER 61 N -0.26 -0.26 0.62 3.58 0.15 -1.26 -4.98 113.70 111.28 3gaa s SER 61 Ca 0.01 0.46 0.29 0.00 0.70 0.00 0.00 55.95 57.42 3gaa s SER 61 Cb -0.13 0.46 1.59 0.00 -1.71 0.00 0.00 66.02 66.23 3gaa s SER 61 CO 0.03 -0.12 1.89 -0.61 1.20 0.00 0.00 173.24 175.63 3gaa h GLN 62 N 3.42 0.00 -0.40 5.44 4.15 -2.02 -2.74 115.11 122.96 3gaa h GLN 62 Ca -0.25 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.17 3gaa h GLN 62 Cb 1.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.87 3gaa h GLN 62 CO 0.17 0.00 0.00 0.72 -1.93 0.00 0.00 178.83 177.79 3gaa n HIS 63 N -2.79 1.14 -3.74 3.99 8.25 -1.26 -4.78 115.22 116.02 3gaa n HIS 63 Ca -0.02 -0.73 -0.35 0.00 -0.26 0.00 0.00 57.72 56.36 3gaa n HIS 63 Cb 0.33 -0.28 -0.08 0.00 1.12 0.00 0.00 29.99 31.08 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 -2.29 5.41 -0.37 1.59 1.01 -1.04 -4.79 121.20 120.72 3gaa s ILE 64 Ca 0.42 0.19 -0.43 0.00 0.00 0.00 0.00 60.65 60.83 3gaa s ILE 64 Cb 0.31 -3.46 -0.18 0.00 0.01 0.00 0.00 42.46 39.14 3gaa s ILE 64 CO 0.14 0.45 1.67 -2.65 0.00 0.00 0.00 174.94 174.55 3gaa n PRO 65 N 3.45 0.62 -1.41 2.79 -0.02 -1.26 -4.72 135.00 134.44 3gaa n PRO 65 Ca -0.16 0.23 -0.39 0.00 -2.02 0.00 0.00 63.50 61.16 3gaa n PRO 65 Cb 0.52 -1.82 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 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 4.68 3.82 -4.79 0.52 -0.04 -1.26 -4.79 135.00 133.14 3gaa n PRO 66 Ca 0.28 -2.38 -0.24 0.00 -0.04 0.00 0.00 63.50 61.12 3gaa n PRO 66 Cb 0.04 -2.76 -0.15 0.00 -0.04 0.00 0.00 33.50 30.59 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 1.61 1.32 0.01 0.52 1.01 -1.26 -5.13 120.40 118.48 3gaa s VAL 67 Ca 0.67 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 3gaa s VAL 67 Cb 0.18 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 3gaa s VAL 67 CO -0.07 0.37 0.19 0.00 0.00 0.00 0.00 175.10 175.60 3gaa s ALA 68 N -0.34 3.97 -0.17 5.51 0.00 -1.26 -4.46 121.76 125.02 3gaa s ALA 68 Ca 0.05 -0.78 -0.07 0.00 0.00 0.00 0.00 51.96 51.16 3gaa s ALA 68 Cb -0.07 -1.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 3gaa s ALA 68 CO -0.00 0.77 0.05 0.14 0.00 0.00 0.00 175.76 176.72 3gaa s VAL 69 N -1.39 4.73 -0.08 0.00 -7.23 0.05 -4.96 120.40 111.52 3gaa s VAL 69 Ca 0.30 -0.06 0.12 0.00 -1.81 0.00 0.00 61.98 60.53 3gaa s VAL 69 Cb -0.13 -3.11 0.21 0.00 0.56 0.00 0.00 36.38 33.92 3gaa s VAL 69 CO 0.22 0.49 1.11 0.33 -0.31 0.00 0.00 175.10 176.93 3gaa n PHE 70 N 3.32 0.00 -2.02 2.82 7.35 -1.26 -0.80 117.46 126.87 3gaa n PHE 70 Ca -0.17 -0.63 -0.41 0.00 -0.76 0.00 0.00 57.45 55.48 3gaa n PHE 70 Cb 0.52 -0.12 -0.02 0.00 0.35 0.00 0.00 39.48 40.21 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 -1.51 2.57 -1.21 -2.13 0.11 -1.26 -2.64 120.40 114.33 3gaa s VAL 71 Ca 0.21 0.54 0.00 0.00 -2.93 0.00 0.00 61.98 59.80 3gaa s VAL 71 Cb 0.20 -3.35 0.00 0.00 -1.53 0.00 0.00 36.38 31.70 3gaa s VAL 71 CO -0.02 0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.48 3gaa n GLY 72 N 1.16 0.57 3.23 6.54 0.00 -1.26 -2.76 105.19 112.68 3gaa n GLY 72 Ca 0.02 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.21 -0.48 3.10 -0.02 0.00 -1.08 -4.95 105.19 100.56 3gaa n GLY 73 Ca -0.14 0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 3gaa n GLY 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gaa s LYS 74 N -5.85 2.80 -0.15 1.61 2.20 -1.11 -5.11 119.74 114.14 3gaa s LYS 74 Ca 0.33 -0.90 -0.28 0.00 -0.36 0.00 0.00 55.97 54.76 3gaa s LYS 74 Cb -0.18 -2.59 -0.01 0.00 -1.51 0.00 0.00 37.83 33.54 3gaa s LYS 74 CO 0.40 -0.28 0.97 -1.17 -0.36 0.00 0.00 175.35 174.92 3gaa s LEU 75 N 1.27 4.20 0.17 5.43 2.96 -1.26 -4.16 118.68 127.29 3gaa s LEU 75 Ca 0.03 1.41 -0.10 0.00 -0.22 0.00 0.00 54.13 55.25 3gaa s LEU 75 Cb -0.14 -3.47 -0.00 0.00 0.50 0.00 0.00 46.19 43.07 3gaa s LEU 75 CO -0.11 -0.48 0.32 -0.13 -1.32 0.00 0.00 176.35 174.62 3gaa s ARG 76 N 2.29 1.19 0.58 1.98 3.00 0.02 -4.99 118.95 123.02 3gaa s ARG 76 Ca 0.45 -1.12 -0.20 0.00 0.00 0.00 0.00 55.73 54.86 3gaa s ARG 76 Cb -0.17 0.40 -0.04 0.00 0.00 0.00 0.00 34.95 35.14 3gaa s ARG 76 CO 0.14 -0.45 1.25 -1.58 0.00 0.00 0.00 175.30 174.67 3gaa s HIS 77 N -3.95 2.35 -0.16 -0.53 5.65 -1.26 -0.77 115.29 116.62 3gaa s HIS 77 Ca 0.16 1.48 0.20 0.00 0.25 0.00 0.00 55.06 57.15 3gaa s HIS 77 Cb 0.03 -3.58 0.42 0.00 -1.18 0.00 0.00 32.58 28.26 3gaa s HIS 77 CO -0.01 -2.43 1.61 -1.00 -0.65 0.00 0.00 174.74 172.26 3gaa h PRO 78 N 1.07 0.00 -4.86 2.88 0.13 -1.93 -3.44 132.00 125.85 3gaa h PRO 78 Ca -0.51 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.95 3gaa h PRO 78 Cb 1.30 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.10 3gaa h PRO 78 CO 0.56 0.26 -0.74 0.12 -0.23 0.00 0.00 178.00 177.97 3gaa s PHE 79 N -3.23 3.16 0.03 1.56 2.19 -1.26 -1.20 117.98 119.23 3gaa s PHE 79 Ca 0.04 -1.81 -0.03 0.00 0.33 0.00 0.00 56.93 55.47 3gaa s PHE 79 Cb 0.07 -2.05 -0.02 0.00 -1.31 0.00 0.00 43.02 39.72 3gaa s PHE 79 CO 0.69 -0.79 0.03 1.03 1.83 0.00 0.00 175.22 178.01 3gaa s ARG 80 N 1.26 0.47 -0.02 10.12 0.52 -0.39 -3.01 118.95 127.90 3gaa s ARG 80 Ca -0.03 -0.74 0.06 0.00 -0.52 0.00 0.00 55.73 54.49 3gaa s ARG 80 Cb -0.18 0.18 -0.01 0.00 0.52 0.00 0.00 34.95 35.45 3gaa s ARG 80 CO -0.04 -0.10 -0.18 0.42 0.02 0.00 0.00 175.30 175.42 3gaa s ILE 81 N -2.25 1.46 0.19 1.52 1.01 -0.71 -1.26 121.20 121.15 3gaa s ILE 81 Ca -0.08 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.83 3gaa s ILE 81 Cb -0.04 -1.21 -0.05 0.00 0.01 0.00 0.00 42.46 41.17 3gaa s ILE 81 CO -0.03 0.41 -0.06 -0.31 0.00 0.00 0.00 174.94 174.95 3gaa s TYR 82 N -0.40 1.45 -0.02 3.97 2.02 -0.46 -0.54 117.35 123.36 3gaa s TYR 82 Ca 0.06 -0.82 -0.03 0.00 -0.37 0.00 0.00 57.07 55.91 3gaa s TYR 82 Cb -0.07 -0.78 0.00 0.00 -0.40 0.00 0.00 41.96 40.70 3gaa s TYR 82 CO -0.01 0.05 0.08 0.00 -1.57 0.00 0.00 175.55 174.11 3gaa s ALA 83 N -3.34 -0.19 1.13 3.71 0.00 -0.72 -0.34 121.76 122.00 3gaa s ALA 83 Ca 0.23 0.06 -0.10 0.00 0.00 0.00 0.00 51.96 52.15 3gaa s ALA 83 Cb 0.04 -0.06 0.15 0.00 0.00 0.00 0.00 23.12 23.25 3gaa s ALA 83 CO 0.05 -0.09 0.49 0.27 0.00 0.00 0.00 175.76 176.48 3gaa n ASN 84 N 2.52 -1.72 0.27 0.00 2.04 -0.78 -0.81 115.26 116.78 3gaa n ASN 84 Ca -0.16 -0.75 -0.16 0.00 -0.44 0.00 0.00 54.58 53.07 3gaa n ASN 84 Cb 0.58 -0.46 -0.08 0.00 -2.53 0.00 0.00 39.78 37.28 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 -1.94 -0.55 0.00 0.53 -1.24 -1.88 -3.19 115.58 107.31 3gaa h ASN 85 Ca -0.19 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.81 3gaa h ASN 85 Cb 0.58 0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.77 3gaa h ASN 85 CO 0.12 -0.34 0.00 -1.54 -1.29 0.00 0.00 177.43 174.38 3gaa n SER 86 N -5.34 0.30 -4.54 1.15 3.41 -1.26 -4.84 113.62 102.49 3gaa n SER 86 Ca -0.12 -1.69 -0.43 0.00 -0.26 0.00 0.00 58.87 56.38 3gaa n SER 86 Cb 0.28 -0.15 -0.08 0.00 -0.26 0.00 0.00 64.21 64.01 3gaa n SER 86 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3gaa n ASN 87 N -0.30 -1.77 -0.01 4.04 3.02 -1.21 -4.19 115.26 114.85 3gaa n ASN 87 Ca 0.00 -1.25 0.09 0.00 -0.03 0.00 0.00 54.58 53.39 3gaa n ASN 87 Cb 0.07 -1.61 -0.14 0.00 -0.61 0.00 0.00 39.78 37.50 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 -4.08 0.00 -4.85 3.41 -2.24 -1.26 -1.70 114.28 103.56 3gaa n THR 88 Ca 0.11 -0.40 -0.31 0.00 -2.27 0.00 0.00 64.05 61.17 3gaa n THR 88 Cb 0.46 0.11 -0.17 0.00 -2.10 0.00 0.00 70.33 68.63 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 -3.23 1.94 0.23 2.28 1.01 -1.26 -1.76 120.40 119.61 3gaa s VAL 89 Ca -0.06 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.07 3gaa s VAL 89 Cb 0.12 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3gaa s VAL 89 CO 0.74 0.53 0.09 -0.76 0.00 0.00 0.00 175.10 175.71 3gaa s LEU 90 N 0.65 3.54 -0.07 3.92 1.43 -0.29 -1.86 118.68 125.99 3gaa s LEU 90 Ca -0.12 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.58 3gaa s LEU 90 Cb -0.16 -2.09 0.03 0.00 0.03 0.00 0.00 46.19 43.99 3gaa s LEU 90 CO 0.03 0.01 0.00 -0.69 0.23 0.00 0.00 176.35 175.92 3gaa s VAL 91 N -2.09 0.36 -0.28 -1.59 1.01 0.54 -1.42 120.40 116.93 3gaa s VAL 91 Ca 0.31 0.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.32 3gaa s VAL 91 Cb -0.08 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 3gaa s VAL 91 CO 0.22 0.26 0.16 0.00 0.00 0.00 0.00 175.10 175.74 3gaa s ALA 92 N 1.96 3.40 0.08 5.51 0.00 0.32 -1.36 121.76 131.67 3gaa s ALA 92 Ca 0.05 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 50.87 3gaa s ALA 92 Cb -0.12 -2.38 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 3gaa s ALA 92 CO -0.05 -0.62 -0.07 0.00 0.00 0.00 0.00 175.76 175.02 3gaa s MET 93 N 1.70 0.71 -0.16 0.00 0.23 -0.39 -2.01 119.30 119.38 3gaa s MET 93 Ca 0.06 -1.08 -0.04 0.00 -1.03 0.00 0.00 55.69 53.60 3gaa s MET 93 Cb -0.16 -0.28 0.08 0.00 -1.53 0.00 0.00 34.83 32.94 3gaa s MET 93 CO 0.08 0.02 0.25 0.00 -2.03 0.00 0.00 175.02 173.34 3gaa n GLU 95 N 5.34 0.00 -4.34 0.00 1.02 -0.34 -1.89 120.64 120.43 3gaa n GLU 95 Ca -0.05 -0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.79 3gaa n GLU 95 Cb 0.50 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.30 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 -3.00 2.60 0.56 2.62 -7.23 -1.26 -4.69 120.40 110.00 3gaa s VAL 96 Ca 0.12 -1.64 -0.19 0.00 -1.81 0.00 0.00 61.98 58.45 3gaa s VAL 96 Cb 0.18 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.88 3gaa s VAL 96 CO 0.67 0.07 1.15 -2.16 -0.31 0.00 0.00 175.10 174.52 3gaa s PRO 97 N -2.17 3.22 -0.19 4.82 0.04 -1.26 -4.54 135.00 134.92 3gaa s PRO 97 Ca 0.17 1.64 -0.07 0.00 0.04 0.00 0.00 61.00 62.78 3gaa s PRO 97 Cb -0.10 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 3gaa s PRO 97 CO 0.09 -0.97 0.05 0.42 0.04 0.00 0.00 177.00 176.63 3gaa s ILE 98 N -1.78 4.64 0.29 0.56 1.01 -1.26 -4.78 121.20 119.87 3gaa s ILE 98 Ca 0.73 -0.08 -0.30 0.00 0.00 0.00 0.00 60.65 61.00 3gaa s ILE 98 Cb -0.25 -3.10 -0.11 0.00 0.01 0.00 0.00 42.46 39.01 3gaa s ILE 98 CO 0.30 0.45 1.61 -0.55 0.00 0.00 0.00 174.94 176.74 3gaa s SER 99 N 0.52 6.36 0.46 3.58 0.15 -1.26 -4.87 113.70 118.64 3gaa s SER 99 Ca 0.02 2.96 0.23 0.00 0.70 0.00 0.00 55.95 59.86 3gaa s SER 99 Cb -0.13 -2.63 1.12 0.00 -1.71 0.00 0.00 66.02 62.67 3gaa s SER 99 CO 0.01 -0.93 1.94 0.77 1.20 0.00 0.00 173.24 176.23 3gaa h SER 100 N 5.00 0.00 0.09 5.45 4.64 -2.00 0.81 113.55 127.55 3gaa h SER 100 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3gaa h SER 100 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3gaa h SER 100 CO 0.81 0.21 0.00 0.00 -0.87 0.00 0.00 176.83 176.98 3gaa n ALA 101 N -2.30 1.12 0.00 5.18 0.00 -1.26 -2.75 120.51 120.51 3gaa n ALA 101 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3gaa n ALA 101 Cb 0.34 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3gaa n ALA 101 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3gaa n HIS 102 N -1.83 0.00 -0.33 0.00 -0.00 0.27 -4.80 115.22 108.53 3gaa n HIS 102 Ca -0.00 -0.18 0.24 0.00 -0.00 0.00 0.00 57.72 57.78 3gaa n HIS 102 Cb 0.04 -0.02 0.48 0.00 -0.00 0.00 0.00 29.99 30.49 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 0.04 0.29 -0.18 1.59 2.04 -1.45 -1.60 117.51 118.24 3gaa h ILE 103 Ca 0.00 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 3gaa h ILE 103 Cb 0.19 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 3gaa h ILE 103 CO 0.00 0.06 -0.03 0.22 0.00 0.00 0.00 178.15 178.39 3gaa h TYR 104 N 0.31 0.38 -0.05 1.37 5.03 -1.87 -0.16 116.97 121.99 3gaa h TYR 104 Ca 0.74 -0.08 -0.08 0.00 2.58 0.00 0.00 58.73 61.89 3gaa h TYR 104 Cb 1.69 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 39.88 3gaa h TYR 104 CO -0.01 0.59 -0.27 1.05 -1.32 0.00 0.00 178.16 178.20 3gaa h GLU 105 N 0.06 0.27 -0.79 1.82 4.11 -1.73 0.83 114.58 119.14 3gaa h GLU 105 Ca 0.05 -0.23 0.01 0.00 0.07 0.00 0.00 59.36 59.26 3gaa h GLU 105 Cb 0.46 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 3gaa h GLU 105 CO 0.02 0.88 0.52 0.82 0.07 0.00 0.00 179.01 181.32 3gaa h ILE 106 N -0.28 1.21 -0.99 -1.06 1.08 -1.32 0.70 117.51 116.85 3gaa h ILE 106 Ca -0.02 -0.38 0.11 0.00 -0.39 0.00 0.00 64.86 64.18 3gaa h ILE 106 Cb 0.94 0.05 -0.08 0.00 -3.07 0.00 0.00 36.82 34.66 3gaa h ILE 106 CO 0.06 0.20 0.63 0.28 -0.69 0.00 0.00 178.15 178.63 3gaa h SER 107 N 1.07 0.93 0.14 1.72 0.02 -0.96 -1.51 113.55 114.96 3gaa h SER 107 Ca 0.29 0.04 -0.25 0.00 -0.84 0.00 0.00 61.79 61.03 3gaa h SER 107 Cb -0.11 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.29 3gaa h SER 107 CO -0.06 0.51 -1.01 -1.13 -1.14 0.00 0.00 176.83 174.00 3gaa h ASN 108 N 1.00 0.76 -0.40 3.07 -1.24 0.63 -0.64 115.58 118.76 3gaa h ASN 108 Ca 0.48 -0.61 -0.00 0.00 0.71 0.00 0.00 56.30 56.88 3gaa h ASN 108 Cb 0.45 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 3gaa h ASN 108 CO -0.24 1.41 0.25 0.74 -1.29 0.00 0.00 177.43 178.29 3gaa h THR 109 N 0.33 1.12 -0.26 -3.57 2.02 -0.73 -1.53 112.91 110.29 3gaa h THR 109 Ca -0.11 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 3gaa h THR 109 Cb 1.65 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 3gaa h THR 109 CO 0.19 0.12 0.08 0.25 0.37 0.00 0.00 175.52 176.53 3gaa h LEU 110 N 0.53 0.38 -1.10 2.58 5.85 -1.19 -2.74 115.31 119.60 3gaa h LEU 110 Ca 0.14 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 3gaa h LEU 110 Cb -0.01 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3gaa h LEU 110 CO -0.03 0.48 -0.45 0.24 -0.34 0.00 0.00 178.44 178.34 3gaa h MET 111 N 0.26 0.00 -0.30 1.25 2.86 -1.06 -1.19 114.93 116.75 3gaa h MET 111 Ca 0.08 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.74 3gaa h MET 111 Cb 0.23 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3gaa h MET 111 CO -0.00 0.45 0.15 -0.97 1.06 0.00 0.00 176.91 177.59 3gaa h ASN 112 N 0.00 0.21 -0.32 1.22 -1.24 -1.05 0.33 115.58 114.73 3gaa h ASN 112 Ca -0.00 0.01 -0.14 0.00 0.71 0.00 0.00 56.30 56.88 3gaa h ASN 112 Cb 0.79 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.81 3gaa h ASN 112 CO 0.06 0.16 -0.33 -0.25 -1.29 0.00 0.00 177.43 175.78 3gaa h TRP 113 N 0.31 0.96 -0.60 0.67 7.01 -1.17 -1.84 115.95 121.29 3gaa h TRP 113 Ca 0.12 -0.29 -0.07 0.00 2.11 0.00 0.00 58.89 60.76 3gaa h TRP 113 Cb 0.04 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 26.88 3gaa h TRP 113 CO -0.10 1.07 0.08 0.82 -2.79 0.00 0.00 178.44 177.52 3gaa h ILE 114 N 0.57 1.25 -0.30 2.65 2.04 -1.00 -1.89 117.51 120.83 3gaa h ILE 114 Ca 0.05 -1.00 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 3gaa h ILE 114 Cb 0.91 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3gaa h ILE 114 CO 0.08 0.37 0.09 -0.78 0.00 0.00 0.00 178.15 177.91 3gaa h ASP 115 N 0.92 0.43 0.29 1.72 1.82 -0.28 -2.61 116.42 118.71 3gaa h ASP 115 Ca 0.18 -0.21 -0.00 0.00 -0.39 0.00 0.00 57.03 56.62 3gaa h ASP 115 Cb 0.42 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.32 3gaa h ASP 115 CO 0.01 0.53 -0.01 1.56 -1.61 0.00 0.00 179.24 179.72 3gaa h GLN 116 N 0.32 0.00 -0.33 0.28 7.50 -0.79 -2.25 115.11 119.85 3gaa h GLN 116 Ca 0.10 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.25 3gaa h GLN 116 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.78 3gaa h GLN 116 CO -0.00 0.01 0.00 1.55 -1.50 0.00 0.00 178.83 178.89 3gaa n VAL 117 N -3.16 0.43 -2.12 -0.54 3.14 -0.76 -2.80 118.33 112.52 3gaa n VAL 117 Ca -0.02 -0.51 -0.16 0.00 -2.96 0.00 0.00 64.34 60.69 3gaa n VAL 117 Cb 0.14 0.40 -0.02 0.00 -1.06 0.00 0.00 33.84 33.31 3gaa n VAL 117 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3gaa n GLY 118 N 1.21 0.11 3.63 7.55 0.00 -0.85 -4.51 105.19 112.33 3gaa n GLY 118 Ca 0.16 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.13 0.44 -0.08 4.61 0.00 -1.11 -4.15 120.51 119.09 3gaa n ALA 119 Ca -0.18 0.26 -0.22 0.00 0.00 0.00 0.00 53.44 53.30 3gaa n ALA 119 Cb 0.61 -2.12 -0.12 0.00 0.00 0.00 0.00 19.45 17.82 3gaa n ALA 119 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gaa n SER 120 N 0.54 2.00 -3.93 0.00 3.41 0.21 -4.87 113.62 110.99 3gaa n SER 120 Ca 0.08 0.21 -0.14 0.00 -0.26 0.00 0.00 58.87 58.76 3gaa n SER 120 Cb 0.38 -0.78 -0.14 0.00 -0.26 0.00 0.00 64.21 63.41 3gaa n SER 120 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3gaa s GLU 121 N -2.49 0.24 -0.13 4.33 2.02 -1.23 -4.03 118.70 117.41 3gaa s GLU 121 Ca -0.30 -0.15 -0.04 0.00 0.02 0.00 0.00 54.97 54.50 3gaa s GLU 121 Cb 0.08 -0.21 -0.03 0.00 0.10 0.00 0.00 34.13 34.07 3gaa s GLU 121 CO 0.64 0.06 0.01 0.42 0.02 0.00 0.00 175.26 176.40 3gaa s ILE 122 N -0.18 4.38 -0.25 -1.63 -1.09 -0.25 0.30 121.20 122.48 3gaa s ILE 122 Ca -0.00 -0.20 -0.02 0.00 -2.23 0.00 0.00 60.65 58.20 3gaa s ILE 122 Cb -0.02 -2.89 0.08 0.00 -1.58 0.00 0.00 42.46 38.04 3gaa s ILE 122 CO -0.00 0.55 0.05 -0.69 -1.23 0.00 0.00 174.94 173.62 3gaa s VAL 123 N -0.30 0.78 -0.00 2.92 1.01 -0.24 -1.18 120.40 123.38 3gaa s VAL 123 Ca 0.07 -0.99 -0.27 0.00 0.00 0.00 0.00 61.98 60.79 3gaa s VAL 123 Cb -0.12 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 3gaa s VAL 123 CO 0.02 -0.40 0.85 -0.63 0.00 0.00 0.00 175.10 174.95 3gaa s ILE 124 N 1.71 4.86 -0.24 2.22 1.01 0.31 -1.37 121.20 129.70 3gaa s ILE 124 Ca 0.03 1.79 -0.08 0.00 0.00 0.00 0.00 60.65 62.39 3gaa s ILE 124 Cb -0.17 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 3gaa s ILE 124 CO -0.15 0.24 0.10 -0.04 0.00 0.00 0.00 174.94 175.09 3gaa s MET 125 N 0.65 3.81 -0.01 2.79 -1.94 0.37 -1.52 119.30 123.46 3gaa s MET 125 Ca 0.45 -0.40 -0.05 0.00 -1.71 0.00 0.00 55.69 53.98 3gaa s MET 125 Cb -0.20 -3.39 -0.00 0.00 2.01 0.00 0.00 34.83 33.25 3gaa s MET 125 CO 0.24 -0.08 0.09 -1.21 -0.01 0.00 0.00 175.02 174.06 3gaa s GLU 126 N 1.36 0.32 0.21 2.03 2.02 -0.80 -3.98 118.70 119.87 3gaa s GLU 126 Ca 0.06 -0.25 0.02 0.00 0.02 0.00 0.00 54.97 54.81 3gaa s GLU 126 Cb -0.15 0.13 -0.04 0.00 0.10 0.00 0.00 34.13 34.18 3gaa s GLU 126 CO 0.05 -0.07 0.37 0.20 0.02 0.00 0.00 175.26 175.83 3gaa s GLY 127 N -0.90 1.57 -0.07 -1.39 0.00 -1.26 -2.35 107.32 102.92 3gaa s GLY 127 Ca -0.10 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 43.65 3gaa s GLY 127 CO 0.01 -0.97 -0.13 -1.35 0.00 0.00 0.00 173.10 170.65 3gaa s SER 128 N -3.49 4.11 0.21 1.64 1.04 0.07 -4.41 113.70 112.88 3gaa s SER 128 Ca 0.36 -0.20 -0.32 0.00 0.48 0.00 0.00 55.95 56.27 3gaa s SER 128 Cb -0.10 -1.05 -0.12 0.00 0.10 0.00 0.00 66.02 64.84 3gaa s SER 128 CO 0.30 0.31 1.69 -2.65 0.98 0.00 0.00 173.24 173.86 3gaa n PRO 129 N 2.56 2.66 -4.21 4.02 -0.02 -1.26 -0.16 135.00 138.60 3gaa n PRO 129 Ca -0.17 0.96 -0.12 0.00 -2.02 0.00 0.00 63.50 62.14 3gaa n PRO 129 Cb 0.52 -2.79 -0.10 0.00 -0.02 0.00 0.00 33.50 31.12 3gaa n PRO 129 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gaa s ALA 130 N 1.02 1.17 -0.24 3.55 0.00 -0.64 -4.79 121.76 121.83 3gaa s ALA 130 Ca 0.75 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 51.26 3gaa s ALA 130 Cb -0.53 0.35 0.05 0.00 0.00 0.00 0.00 23.12 22.99 3gaa s ALA 130 CO 0.35 -0.27 -0.11 0.54 0.00 0.00 0.00 175.76 176.26 3gaa s ASN 131 N -3.11 4.13 0.00 0.00 4.22 -1.26 -3.41 114.94 115.50 3gaa s ASN 131 Ca 0.18 -1.24 0.00 0.00 -2.14 0.00 0.00 52.86 49.66 3gaa s ASN 131 Cb 0.06 -1.46 0.00 0.00 1.28 0.00 0.00 41.25 41.13 3gaa s ASN 131 CO -0.00 -0.17 0.00 0.61 -2.04 0.00 0.00 177.10 175.49 3gaa n GLY 132 N 4.51 2.18 3.52 0.45 0.00 -1.26 -5.00 105.19 109.59 3gaa n GLY 132 Ca -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 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 0.64 2.75 0.55 -0.61 1.09 -1.26 -5.05 121.20 119.31 3gaa s ILE 133 Ca 0.00 -2.26 -0.19 0.00 -1.10 0.00 0.00 60.65 57.10 3gaa s ILE 133 Cb 0.00 -2.45 -0.08 0.00 -1.06 0.00 0.00 42.46 38.86 3gaa s ILE 133 CO 0.00 -0.39 0.61 -2.65 -0.10 0.00 0.00 174.94 172.42 3gaa n PRO 134 N -0.68 0.61 0.05 2.79 -0.02 -1.26 -4.88 135.00 131.61 3gaa n PRO 134 Ca -0.06 0.24 -0.13 0.00 -2.02 0.00 0.00 63.50 61.53 3gaa n PRO 134 Cb 0.60 -1.77 -0.08 0.00 -0.02 0.00 0.00 33.50 32.23 3gaa n PRO 134 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3gaa h GLU 135 N 0.38 -0.07 -5.76 -0.52 4.22 -2.05 -3.27 114.58 107.52 3gaa h GLU 135 Ca -0.45 0.01 -0.63 0.00 0.08 0.00 0.00 59.36 58.36 3gaa h GLU 135 Cb 1.39 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 30.53 3gaa h GLU 135 CO 0.48 0.07 0.34 -1.21 -2.18 0.00 0.00 179.01 176.52 3gaa s GLU 136 N -5.65 3.47 0.01 1.92 0.41 -1.26 -5.04 118.70 112.56 3gaa s GLU 136 Ca -0.14 -0.04 -0.30 0.00 -0.41 0.00 0.00 54.97 54.08 3gaa s GLU 136 Cb 0.05 -3.91 -0.04 0.00 -1.78 0.00 0.00 34.13 28.45 3gaa s GLU 136 CO 0.65 -1.05 1.04 0.50 -0.49 0.00 0.00 175.26 175.91 3gaa s ARG 137 N 3.22 4.52 0.53 1.61 3.52 -1.24 -5.02 118.95 126.08 3gaa s ARG 137 Ca 0.30 1.51 -0.15 0.00 -0.13 0.00 0.00 55.73 57.26 3gaa s ARG 137 Cb -0.12 -3.44 -0.07 0.00 -1.56 0.00 0.00 34.95 29.76 3gaa s ARG 137 CO 0.21 -0.12 0.97 -1.25 -0.81 0.00 0.00 175.30 174.30 3gaa s PRO 138 N 1.09 3.85 -0.10 5.12 0.04 -1.26 -5.03 135.00 138.71 3gaa s PRO 138 Ca 0.54 0.85 0.02 0.00 0.04 0.00 0.00 61.00 62.45 3gaa s PRO 138 Cb -0.23 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.17 3gaa s PRO 138 CO 0.28 -0.31 -0.16 0.08 0.04 0.00 0.00 177.00 176.92 3gaa s VAL 139 N -2.72 1.52 0.28 -0.36 1.01 -1.26 -4.32 120.40 114.54 3gaa s VAL 139 Ca 0.57 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.95 3gaa s VAL 139 Cb -0.10 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 3gaa s VAL 139 CO 0.36 0.44 0.27 -0.36 0.00 0.00 0.00 175.10 175.81 3gaa s PHE 140 N 0.81 3.08 -0.00 5.22 0.08 0.18 -3.80 117.98 123.54 3gaa s PHE 140 Ca -0.10 -0.17 0.08 0.00 0.12 0.00 0.00 56.93 56.85 3gaa s PHE 140 Cb -0.16 -1.59 -0.02 0.00 -0.57 0.00 0.00 43.02 40.68 3gaa s PHE 140 CO 0.01 0.36 -0.24 0.00 -0.10 0.00 0.00 175.22 175.26 3gaa s ALA 141 N -2.18 1.97 -0.16 5.36 0.00 -0.50 -0.76 121.76 125.49 3gaa s ALA 141 Ca 0.37 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 3gaa s ALA 141 Cb -0.07 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 3gaa s ALA 141 CO 0.26 0.48 -0.10 0.54 0.00 0.00 0.00 175.76 176.94 3gaa s VAL 142 N -0.61 3.18 0.06 0.00 0.11 0.09 -0.29 120.40 122.94 3gaa s VAL 142 Ca 0.09 -0.60 -0.27 0.00 -2.93 0.00 0.00 61.98 58.27 3gaa s VAL 142 Cb -0.09 -2.37 0.09 0.00 -1.53 0.00 0.00 36.38 32.48 3gaa s VAL 142 CO -0.00 0.50 1.17 0.00 -3.33 0.00 0.00 175.10 173.43 3gaa s ALA 143 N 0.65 -2.03 0.61 1.54 0.00 -1.26 -0.41 121.76 120.87 3gaa s ALA 143 Ca -0.06 0.18 -0.08 0.00 0.00 0.00 0.00 51.96 52.00 3gaa s ALA 143 Cb -0.15 0.64 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 3gaa s ALA 143 CO 0.02 -1.08 0.97 -1.21 0.00 0.00 0.00 175.76 174.46 3gaa s GLU 144 N -2.42 3.12 0.25 0.00 2.02 -1.26 -4.74 118.70 115.67 3gaa s GLU 144 Ca 0.19 0.30 -0.03 0.00 0.02 0.00 0.00 54.97 55.45 3gaa s GLU 144 Cb 0.01 -2.18 0.43 0.00 0.10 0.00 0.00 34.13 32.48 3gaa s GLU 144 CO 0.00 -0.70 1.82 0.87 0.02 0.00 0.00 175.26 177.27 3gaa h LYS 145 N -0.28 0.84 -0.82 1.61 1.57 -2.02 -0.20 116.57 117.26 3gaa h LYS 145 Ca -0.45 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.29 3gaa h LYS 145 Cb 1.24 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 3gaa h LYS 145 CO 0.62 0.56 0.55 -1.35 -0.57 0.00 0.00 179.45 179.25 3gaa h PRO 146 N 0.86 1.08 -0.03 3.15 0.11 -2.01 -2.15 132.00 133.02 3gaa h PRO 146 Ca 0.42 -0.07 -0.17 0.00 0.11 0.00 0.00 66.00 66.29 3gaa h PRO 146 Cb 0.37 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 3gaa h PRO 146 CO -0.24 0.72 -0.75 0.87 -0.21 0.00 0.00 178.00 178.38 3gaa h LYS 147 N 1.11 0.22 -0.33 1.05 1.79 -1.57 -2.99 116.57 115.85 3gaa h LYS 147 Ca 0.30 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 3gaa h LYS 147 Cb -0.13 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 3gaa h LYS 147 CO -0.07 0.87 0.15 -0.07 -1.08 0.00 0.00 179.45 179.25 3gaa h LEU 148 N 0.14 0.41 0.21 2.94 3.38 -0.80 -2.66 115.31 118.93 3gaa h LEU 148 Ca -0.03 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3gaa h LEU 148 Cb 1.32 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3gaa h LEU 148 CO 0.12 0.36 -0.10 0.44 0.09 0.00 0.00 178.44 179.34 3gaa h ASP 149 N 0.46 -0.24 -0.89 -0.43 3.32 -1.29 -0.72 116.42 116.63 3gaa h ASP 149 Ca 0.12 -0.28 0.24 0.00 0.02 0.00 0.00 57.03 57.12 3gaa h ASP 149 Cb 0.07 0.06 -0.13 0.00 0.22 0.00 0.00 39.33 39.55 3gaa h ASP 149 CO -0.01 0.25 0.33 0.11 -1.72 0.00 0.00 179.24 178.19 3gaa h LYS 150 N -0.84 0.29 -0.36 3.56 1.57 -1.52 -0.66 116.57 118.60 3gaa h LYS 150 Ca -0.03 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 3gaa h LYS 150 Cb 0.51 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3gaa h LYS 150 CO 0.05 0.19 -0.27 0.74 -0.57 0.00 0.00 179.45 179.59 3gaa h PHE 151 N 0.29 0.86 -0.43 -1.35 0.04 -1.40 -2.83 116.94 112.13 3gaa h PHE 151 Ca 0.57 -0.21 0.09 0.00 2.80 0.00 0.00 57.97 61.22 3gaa h PHE 151 Cb 1.14 -0.20 -0.09 0.00 2.20 0.00 0.00 35.95 39.00 3gaa h PHE 151 CO -0.19 0.94 -0.16 -0.22 -0.60 0.00 0.00 178.31 178.08 3gaa h LYS 152 N 0.64 -0.07 -0.35 1.51 3.64 0.46 0.11 116.57 122.52 3gaa h LYS 152 Ca 0.08 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 3gaa h LYS 152 Cb 0.79 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.54 3gaa h LYS 152 CO 0.06 -0.04 -0.46 0.87 -2.27 0.00 0.00 179.45 177.61 3gaa h LYS 153 N -0.07 -0.37 0.00 1.90 1.57 -1.35 -2.46 116.57 115.80 3gaa h LYS 153 Ca 0.21 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3gaa h LYS 153 Cb 0.39 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3gaa h LYS 153 CO -0.48 -0.25 0.06 0.00 -0.57 0.00 0.00 179.45 178.21 3gaa n ALA 154 N -3.05 0.92 0.00 3.86 0.00 0.31 -4.79 120.51 117.76 3gaa n ALA 154 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3gaa n ALA 154 Cb 0.35 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.36 1.73 3.76 0.00 0.00 -0.76 -5.08 105.19 103.49 3gaa n GLY 155 Ca -0.01 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.65 2.94 0.34 -0.61 1.01 -1.08 -4.94 121.20 117.22 3gaa s ILE 156 Ca 0.00 0.90 0.02 0.00 0.00 0.00 0.00 60.65 61.57 3gaa s ILE 156 Cb 0.00 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 3gaa s ILE 156 CO 0.00 0.20 0.39 0.00 0.00 0.00 0.00 174.94 175.53 3gaa s GLN 157 N -1.33 1.86 0.33 2.79 -2.07 -1.25 -2.72 119.66 117.28 3gaa s GLN 157 Ca 0.50 -1.89 -0.28 0.00 -1.82 0.00 0.00 55.36 51.87 3gaa s GLN 157 Cb -0.38 0.39 -0.12 0.00 -1.09 0.00 0.00 33.01 31.81 3gaa s GLN 157 CO 0.47 -0.74 1.27 -2.30 -1.32 0.00 0.00 175.29 172.68 3gaa n PRO 158 N -0.60 2.07 -1.72 9.60 -0.02 -1.26 -1.41 135.00 141.66 3gaa n PRO 158 Ca 0.04 0.73 -0.36 0.00 -2.02 0.00 0.00 63.50 61.88 3gaa n PRO 158 Cb 0.62 -2.30 0.07 0.00 -0.02 0.00 0.00 33.50 31.87 3gaa n PRO 158 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gaa s ALA 159 N -1.06 2.35 -0.81 3.55 0.00 0.61 -4.62 121.76 121.77 3gaa s ALA 159 Ca 0.56 1.15 -0.08 0.00 0.00 0.00 0.00 51.96 53.59 3gaa s ALA 159 Cb -0.58 -3.53 0.21 0.00 0.00 0.00 0.00 23.12 19.21 3gaa s ALA 159 CO 0.62 -1.60 0.71 0.34 0.00 0.00 0.00 175.76 175.82 3gaa s ASP 160 N -1.50 6.24 0.03 0.00 3.68 -1.26 -4.98 116.67 118.88 3gaa s ASP 160 Ca 0.81 -3.01 -0.28 0.00 2.13 0.00 0.00 52.55 52.21 3gaa s ASP 160 Cb -0.36 -2.05 0.08 0.00 -1.45 0.00 0.00 42.92 39.13 3gaa s ASP 160 CO 0.40 -0.42 0.68 -0.94 0.13 0.00 0.00 175.17 175.02 3gaa s SER 161 N 1.25 -0.59 -0.11 -0.34 1.04 -1.26 -5.07 113.70 108.61 3gaa s SER 161 Ca 0.21 0.38 -0.14 0.00 0.48 0.00 0.00 55.95 56.87 3gaa s SER 161 Cb -0.13 0.54 -0.27 0.00 0.10 0.00 0.00 66.02 66.27 3gaa s SER 161 CO -0.07 -0.74 0.50 0.00 0.98 0.00 0.00 173.24 173.91 3gaa h ALA 162 N 2.53 0.23 -2.59 5.32 0.00 -2.07 -3.47 119.26 119.21 3gaa h ALA 162 Ca -0.29 -1.15 -0.49 0.00 0.00 0.00 0.00 54.91 52.97 3gaa h ALA 162 Cb 1.21 0.54 -0.16 0.00 0.00 0.00 0.00 17.79 19.38 3gaa h ALA 162 CO 0.38 0.91 -0.76 0.96 0.00 0.00 0.00 179.25 180.74 3gaa s ILE 163 N -2.49 1.80 -0.20 0.00 -4.36 -1.26 -5.12 121.20 109.57 3gaa s ILE 163 Ca -0.21 -2.06 -0.00 0.00 -0.26 0.00 0.00 60.65 58.12 3gaa s ILE 163 Cb 0.05 -1.94 0.02 0.00 1.25 0.00 0.00 42.46 41.84 3gaa s ILE 163 CO 0.76 -0.44 -0.14 -0.63 0.24 0.00 0.00 174.94 174.72 3gaa s ILE 164 N -2.45 2.44 0.00 8.37 -1.09 -1.26 -5.12 121.20 122.09 3gaa s ILE 164 Ca 0.19 -0.91 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 3gaa s ILE 164 Cb -0.04 -2.11 0.00 0.00 -1.58 0.00 0.00 42.46 38.74 3gaa s ILE 164 CO 0.07 0.43 0.00 0.00 -1.23 0.00 0.00 174.94 174.21 3gaa n ALA 165 N 4.65 0.00 -0.62 9.38 0.00 -1.26 -3.86 120.51 128.79 3gaa n ALA 165 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3gaa n ALA 165 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.19 0.24 0.00 0.00 -1.26 -1.19 105.19 107.79 3gaa n GLY 166 Ca 0.00 -1.03 0.13 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.41 1.61 2.86 -1.94 -2.78 114.93 114.26 3gaa h MET 167 Ca 0.00 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 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 0.11 -0.32 0.78 1.06 0.00 0.00 176.91 178.54 3gaa h GLY 168 N 2.35 1.02 0.99 8.32 0.00 -1.93 0.13 103.07 113.96 3gaa h GLY 168 Ca -0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.31 3gaa h GLY 168 CO 0.01 0.90 0.29 -1.33 0.00 0.00 0.00 176.54 176.42 3gaa h GLY 169 N 0.77 0.95 0.91 4.60 0.00 -0.88 0.52 103.07 109.93 3gaa h GLY 169 Ca 0.08 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 3gaa h GLY 169 CO 0.08 0.45 -0.17 -1.33 0.00 0.00 0.00 176.54 175.58 3gaa h GLY 170 N 0.84 0.67 0.77 4.60 0.00 -1.30 -1.88 103.07 106.77 3gaa h GLY 170 Ca 0.21 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3gaa h GLY 170 CO -0.03 0.57 -0.09 -2.22 0.00 0.00 0.00 176.54 174.77 3gaa h ILE 171 N 0.36 0.89 -0.91 2.60 2.04 -0.70 -1.31 117.51 120.48 3gaa h ILE 171 Ca 0.06 -0.47 0.17 0.00 1.00 0.00 0.00 64.86 65.62 3gaa h ILE 171 Cb 0.70 1.17 -0.10 0.00 -0.74 0.00 0.00 36.82 37.85 3gaa h ILE 171 CO 0.05 0.11 0.49 -0.07 0.00 0.00 0.00 178.15 178.72 3gaa h LEU 172 N -0.50 0.58 -0.83 1.44 4.07 -0.90 -0.69 115.31 118.47 3gaa h LEU 172 Ca -0.03 0.10 -0.06 0.00 0.08 0.00 0.00 57.88 57.98 3gaa h LEU 172 Cb 0.38 0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.10 3gaa h LEU 172 CO 0.04 0.20 0.19 0.78 -1.08 0.00 0.00 178.44 178.57 3gaa h ASN 173 N 0.63 1.00 -0.26 -0.43 2.35 -1.01 -0.72 115.58 117.14 3gaa h ASN 173 Ca 0.52 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 56.06 3gaa h ASN 173 Cb 0.81 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 3gaa h ASN 173 CO -0.40 0.94 0.09 -0.33 -1.65 0.00 0.00 177.43 176.08 3gaa h GLU 174 N 1.02 0.39 -0.76 0.81 4.39 -0.07 -2.16 114.58 118.20 3gaa h GLU 174 Ca 0.22 -0.08 0.08 0.00 0.34 0.00 0.00 59.36 59.92 3gaa h GLU 174 Cb 0.32 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 3gaa h GLU 174 CO -0.00 0.45 0.50 0.00 -1.16 0.00 0.00 179.01 178.80 3gaa h LEU 176 N 0.75 -0.70 -0.88 0.00 4.07 -0.94 -0.13 115.31 117.48 3gaa h LEU 176 Ca 0.34 0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.38 3gaa h LEU 176 Cb 0.34 0.18 -0.07 0.00 1.08 0.00 0.00 40.66 42.20 3gaa h LEU 176 CO -0.12 -0.30 0.54 0.58 -1.08 0.00 0.00 178.44 178.06 3gaa h VAL 177 N -1.21 1.01 0.00 1.22 2.07 -0.91 -1.20 116.25 117.23 3gaa h VAL 177 Ca -0.08 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3gaa h VAL 177 Cb 0.64 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3gaa h VAL 177 CO 0.14 0.17 0.00 0.54 0.02 0.00 0.00 177.57 178.44 3gaa n ARG 178 N -4.63 0.24 -3.79 1.57 1.74 0.20 -4.92 116.66 107.07 3gaa n ARG 178 Ca 0.13 0.13 -0.27 0.00 -0.77 0.00 0.00 57.85 57.07 3gaa n ARG 178 Cb 0.21 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.19 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 -6.07 -4.12 5.56 4.76 -0.45 -5.01 118.16 111.54 3gaa n LYS 179 Ca 0.08 0.67 -0.30 0.00 -2.87 0.00 0.00 58.31 55.89 3gaa n LYS 179 Cb 0.12 -5.55 -0.08 0.00 -1.84 0.00 0.00 35.03 27.68 3gaa n LYS 179 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3gaa s ILE 180 N -3.37 4.07 0.00 -0.18 1.01 -0.10 -5.04 121.20 117.59 3gaa s ILE 180 Ca 0.51 -1.02 -0.30 0.00 0.00 0.00 0.00 60.65 59.84 3gaa s ILE 180 Cb -0.25 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.21 3gaa s ILE 180 CO 0.80 0.08 1.30 -0.89 0.00 0.00 0.00 174.94 176.23 3gaa s THR 181 N -1.39 3.91 -0.05 2.92 2.01 -1.26 -4.37 115.64 117.40 3gaa s THR 181 Ca 0.27 1.30 -0.02 0.00 0.31 0.00 0.00 61.69 63.54 3gaa s THR 181 Cb -0.11 -3.84 0.03 0.00 0.01 0.00 0.00 72.50 68.59 3gaa s THR 181 CO 0.19 0.03 0.11 -0.83 -0.69 0.00 0.00 174.62 173.43 3gaa s GLY 182 N 1.53 -0.02 0.25 4.40 0.00 -1.26 -1.09 107.32 111.13 3gaa s GLY 182 Ca 0.60 0.51 -0.09 0.00 0.00 0.00 0.00 44.72 45.75 3gaa s GLY 182 CO 0.26 0.76 0.39 0.48 0.00 0.00 0.00 173.10 174.99 3gaa s LEU 183 N 0.90 0.61 -0.04 0.66 -0.00 -0.33 -4.62 118.68 115.85 3gaa s LEU 183 Ca -0.07 -1.11 -0.03 0.00 -0.00 0.00 0.00 54.13 52.92 3gaa s LEU 183 Cb -0.09 1.39 0.01 0.00 -0.00 0.00 0.00 46.19 47.50 3gaa s LEU 183 CO -0.04 -1.09 0.10 -0.55 -0.00 0.00 0.00 176.35 174.77 3gaa s SER 184 N -3.08 -0.10 -0.20 1.48 0.15 0.46 -0.53 113.70 111.88 3gaa s SER 184 Ca 0.28 0.19 -0.03 0.00 0.70 0.00 0.00 55.95 57.09 3gaa s SER 184 Cb 0.01 0.19 -0.01 0.00 -1.71 0.00 0.00 66.02 64.51 3gaa s SER 184 CO 0.11 -0.04 -0.08 -0.36 1.20 0.00 0.00 173.24 174.08 3gaa s PHE 185 N 0.11 2.91 0.09 3.44 0.08 -0.57 -0.74 117.98 123.30 3gaa s PHE 185 Ca -0.00 -0.97 0.09 0.00 0.12 0.00 0.00 56.93 56.17 3gaa s PHE 185 Cb -0.01 -2.04 -0.04 0.00 -0.57 0.00 0.00 43.02 40.36 3gaa s PHE 185 CO -0.00 -0.52 -0.23 0.42 -0.10 0.00 0.00 175.22 174.80 3gaa s ILE 186 N 1.25 2.51 -0.08 0.64 1.09 0.06 -1.90 121.20 124.77 3gaa s ILE 186 Ca 0.03 -1.51 -0.07 0.00 -1.10 0.00 0.00 60.65 58.01 3gaa s ILE 186 Cb -0.14 -2.09 0.03 0.00 -1.06 0.00 0.00 42.46 39.19 3gaa s ILE 186 CO -0.03 0.19 0.21 0.28 -0.10 0.00 0.00 174.94 175.49 3gaa s THR 187 N -1.01 -0.01 0.33 2.92 -1.32 -0.99 0.47 115.64 116.02 3gaa s THR 187 Ca 0.15 0.04 -0.29 0.00 -1.21 0.00 0.00 61.69 60.38 3gaa s THR 187 Cb -0.10 -0.31 -0.12 0.00 -1.51 0.00 0.00 72.50 70.46 3gaa s THR 187 CO 0.06 0.02 1.43 -0.81 -2.21 0.00 0.00 174.62 173.11 3gaa n PRO 188 N 3.27 2.40 -3.92 7.08 -0.04 -1.26 -0.75 135.00 141.78 3gaa n PRO 188 Ca -0.16 0.85 -0.11 0.00 -0.04 0.00 0.00 63.50 64.04 3gaa n PRO 188 Cb 0.57 -2.53 -0.13 0.00 -0.04 0.00 0.00 33.50 31.38 3gaa n PRO 188 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3gaa s THR 189 N -0.73 0.06 -0.17 0.52 -1.32 0.78 -4.75 115.64 110.02 3gaa s THR 189 Ca 0.58 -0.40 -0.29 0.00 -1.21 0.00 0.00 61.69 60.37 3gaa s THR 189 Cb -0.54 -0.13 -0.01 0.00 -1.51 0.00 0.00 72.50 70.31 3gaa s THR 189 CO 0.58 -0.21 1.24 -0.55 -2.21 0.00 0.00 174.62 173.47 3gaa s SER 190 N -0.63 6.96 0.16 8.08 0.15 -1.26 -1.61 113.70 125.55 3gaa s SER 190 Ca -0.07 1.67 -0.24 0.00 0.70 0.00 0.00 55.95 58.01 3gaa s SER 190 Cb -0.04 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 61.78 3gaa s SER 190 CO -0.00 -0.75 1.59 0.58 1.20 0.00 0.00 173.24 175.86 3gaa h VAL 191 N 5.47 0.21 -0.10 4.45 2.07 -1.92 -3.32 116.25 123.11 3gaa h VAL 191 Ca -0.26 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 3gaa h VAL 191 Cb 1.10 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3gaa h VAL 191 CO 0.97 0.00 -0.06 0.44 0.02 0.00 0.00 177.57 178.94 3gaa h ASP 192 N -0.27 0.23 -2.82 0.57 3.32 -1.92 -3.47 116.42 112.06 3gaa h ASP 192 Ca 0.17 -0.44 -0.62 0.00 0.02 0.00 0.00 57.03 56.16 3gaa h ASP 192 Cb 0.55 -0.06 -0.15 0.00 0.22 0.00 0.00 39.33 39.89 3gaa h ASP 192 CO -0.55 0.61 -0.75 0.27 -1.72 0.00 0.00 179.24 177.11 3gaa s ILE 193 N -4.46 2.88 0.29 0.35 -4.36 -1.25 -5.10 121.20 109.54 3gaa s ILE 193 Ca -0.15 -1.92 -0.27 0.00 -0.26 0.00 0.00 60.65 58.06 3gaa s ILE 193 Cb 0.04 -2.44 -0.15 0.00 1.25 0.00 0.00 42.46 41.16 3gaa s ILE 193 CO 0.72 -0.19 0.77 -2.65 0.24 0.00 0.00 174.94 173.82 3gaa n PRO 194 N -0.13 0.79 -3.18 0.37 -0.02 -1.26 -4.70 135.00 126.87 3gaa n PRO 194 Ca -0.10 0.28 -0.22 0.00 -2.02 0.00 0.00 63.50 61.45 3gaa n PRO 194 Cb 0.57 -1.52 -0.05 0.00 -0.02 0.00 0.00 33.50 32.48 3gaa n PRO 194 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3gaa n ASP 195 N 1.47 1.13 0.29 2.55 -0.08 -1.26 -4.95 116.55 115.69 3gaa n ASP 195 Ca 0.12 -2.99 0.18 0.00 -1.51 0.00 0.00 54.79 50.59 3gaa n ASP 195 Cb 0.31 -0.62 0.97 0.00 2.34 0.00 0.00 41.12 44.12 3gaa n ASP 195 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3gaa h PRO 196 N 3.42 0.00 0.00 -0.67 0.13 -1.92 0.15 132.00 133.12 3gaa h PRO 196 Ca 0.10 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.16 3gaa h PRO 196 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 3gaa h PRO 196 CO 0.54 0.00 -0.32 0.78 -0.23 0.00 0.00 178.00 178.76 3gaa h GLY 197 N 0.00 0.00 0.58 1.56 0.00 -1.97 -0.42 103.07 102.81 3gaa h GLY 197 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.39 3gaa h GLY 197 CO -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.45 3gaa h ALA 198 N 1.68 0.04 -0.60 3.60 0.00 -1.01 0.98 119.26 123.94 3gaa h ALA 198 Ca -0.00 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3gaa h ALA 198 Cb 0.58 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3gaa h ALA 198 CO 0.04 -0.53 0.13 0.28 0.00 0.00 0.00 179.25 179.18 3gaa h VAL 199 N -0.08 1.25 -0.08 0.00 2.07 -1.46 -2.07 116.25 115.89 3gaa h VAL 199 Ca 0.09 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.70 3gaa h VAL 199 Cb 0.21 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3gaa h VAL 199 CO -0.20 0.35 0.09 0.25 0.02 0.00 0.00 177.57 178.08 3gaa h LEU 200 N 0.88 0.00 0.11 2.57 5.85 -0.51 -1.66 115.31 122.56 3gaa h LEU 200 Ca 0.19 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.61 3gaa h LEU 200 Cb 0.37 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.43 3gaa h LEU 200 CO 0.00 0.00 -1.26 0.28 -0.34 0.00 0.00 178.44 177.12 3gaa h SER 201 N 0.00 0.74 -0.41 1.25 0.02 -0.11 -3.03 113.55 112.01 3gaa h SER 201 Ca 0.04 -0.71 -0.08 0.00 -0.84 0.00 0.00 61.79 60.20 3gaa h SER 201 Cb 0.22 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3gaa h SER 201 CO -0.00 1.53 -0.06 0.40 -1.14 0.00 0.00 176.83 177.57 3gaa h ILE 202 N 0.20 1.27 0.49 3.27 5.03 -1.08 -1.97 117.51 124.73 3gaa h ILE 202 Ca -0.18 -1.12 -0.02 0.00 -0.12 0.00 0.00 64.86 63.42 3gaa h ILE 202 Cb 1.94 1.16 -0.00 0.00 -3.03 0.00 0.00 36.82 36.89 3gaa h ILE 202 CO 0.23 0.38 -0.30 0.40 -0.68 0.00 0.00 178.15 178.18 3gaa h ILE 203 N 0.59 0.38 -0.67 -0.67 1.08 -1.56 0.14 117.51 116.80 3gaa h ILE 203 Ca 0.11 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.70 3gaa h ILE 203 Cb 0.57 0.38 -0.09 0.00 -3.07 0.00 0.00 36.82 34.61 3gaa h ILE 203 CO 0.03 0.00 0.22 -0.33 -0.69 0.00 0.00 178.15 177.38 3gaa h GLU 204 N -0.76 0.36 -0.14 2.37 5.08 -1.43 1.05 114.58 121.11 3gaa h GLU 204 Ca -0.06 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3gaa h GLU 204 Cb 0.62 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 3gaa h GLU 204 CO 0.06 0.24 -0.06 0.00 -1.00 0.00 0.00 179.01 178.25 3gaa h ALA 205 N 1.50 0.07 -0.70 3.43 0.00 -0.70 0.20 119.26 123.05 3gaa h ALA 205 Ca 0.36 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 3gaa h ALA 205 Cb 0.52 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3gaa h ALA 205 CO -0.38 -0.51 0.36 0.82 0.00 0.00 0.00 179.25 179.54 3gaa h ILE 206 N -0.04 1.23 -0.59 0.00 2.04 0.87 0.90 117.51 121.92 3gaa h ILE 206 Ca 0.08 -0.61 0.02 0.00 1.00 0.00 0.00 64.86 65.34 3gaa h ILE 206 Cb 0.15 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 3gaa h ILE 206 CO -0.17 0.26 0.39 0.78 0.00 0.00 0.00 178.15 179.41 3gaa h ASN 207 N 0.98 0.64 0.75 1.72 2.35 0.16 -1.72 115.58 120.45 3gaa h ASN 207 Ca 0.24 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.93 3gaa h ASN 207 Cb 0.09 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3gaa h ASN 207 CO -0.03 0.46 -1.29 1.17 -1.65 0.00 0.00 177.43 176.08 3gaa n LYS 208 N -4.46 0.62 0.00 0.81 3.00 0.02 -1.56 118.16 116.59 3gaa n LYS 208 Ca 0.06 0.10 0.11 0.00 -0.00 0.00 0.00 58.31 58.58 3gaa n LYS 208 Cb 0.08 -1.77 -0.07 0.00 0.00 0.00 0.00 35.03 33.27 3gaa n LYS 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3gaa n ALA 209 N -2.26 3.96 -0.93 3.14 0.00 0.24 -4.49 120.51 120.17 3gaa n ALA 209 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3gaa n ALA 209 Cb 0.65 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.26 3gaa n ALA 209 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gaa n TYR 210 N -1.77 0.00 -3.94 0.00 4.01 -0.66 -5.03 117.16 109.77 3gaa n TYR 210 Ca 0.02 -0.01 -0.31 0.00 -0.16 0.00 0.00 57.90 57.44 3gaa n TYR 210 Cb 0.40 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.44 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 -0.01 -4.38 -3.60 7.72 4.05 -0.60 -4.95 115.26 113.48 3gaa n ASN 211 Ca 0.00 -0.80 -0.26 0.00 0.45 0.00 0.00 54.58 53.97 3gaa n ASN 211 Cb 0.32 -3.53 0.19 0.00 1.23 0.00 0.00 39.78 37.99 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 -4.52 0.00 -3.17 1.20 4.77 -1.25 -5.03 117.00 109.00 3gaa n LEU 212 Ca 0.05 -1.21 -0.23 0.00 -0.03 0.00 0.00 56.01 54.59 3gaa n LEU 212 Cb 0.52 -0.88 -0.06 0.00 -2.33 0.00 0.00 43.42 40.66 3gaa n LEU 212 CO 0.76 -1.47 -0.27 0.29 -1.33 0.00 0.00 177.39 175.37 3gaa n LYS 213 N -3.65 0.74 -3.09 3.23 5.02 -1.26 -4.73 118.16 114.41 3gaa n LYS 213 Ca 0.14 -3.15 -0.40 0.00 -2.02 0.00 0.00 58.31 52.88 3gaa n LYS 213 Cb 0.50 -1.27 -0.05 0.00 -0.02 0.00 0.00 35.03 34.20 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 -1.19 5.05 0.05 -0.18 1.09 -1.26 -4.99 121.20 119.76 3gaa s ILE 214 Ca 0.35 1.31 -0.22 0.00 -1.10 0.00 0.00 60.65 60.99 3gaa s ILE 214 Cb 0.19 -3.99 -0.14 0.00 -1.06 0.00 0.00 42.46 37.46 3gaa s ILE 214 CO -0.11 0.20 1.47 0.11 -0.10 0.00 0.00 174.94 176.51 3gaa h LYS 215 N 7.02 0.20 0.00 2.79 1.57 -1.98 -3.49 116.57 122.68 3gaa h LYS 215 Ca -0.37 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3gaa h LYS 215 Cb 1.17 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3gaa h LYS 215 CO 0.77 0.45 0.00 0.25 -0.57 0.00 0.00 179.45 180.35 3gaa n THR 216 N -4.80 0.00 -1.99 -0.16 -2.24 -1.26 -5.02 114.28 98.81 3gaa n THR 216 Ca -0.06 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.35 3gaa n THR 216 Cb 0.21 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.46 3gaa n THR 216 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3gaa s ASP 217 N -1.48 5.49 0.00 3.42 -0.00 -1.26 -2.84 116.67 120.00 3gaa s ASP 217 Ca 0.00 2.51 0.00 0.00 -0.00 0.00 0.00 52.55 55.06 3gaa s ASP 217 Cb 0.00 -2.61 0.00 0.00 -0.00 0.00 0.00 42.92 40.31 3gaa s ASP 217 CO 0.00 -1.40 0.00 0.18 -0.00 0.00 0.00 175.17 173.95 3gaa n LEU 218 N -1.07 0.41 0.28 1.23 4.32 -1.26 -4.91 117.00 115.99 3gaa n LEU 218 Ca 0.11 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.98 3gaa n LEU 218 Cb 0.47 -0.62 -0.05 0.00 -1.62 0.00 0.00 43.42 41.60 3gaa n LEU 218 CO 0.48 -0.21 0.33 0.25 -1.22 0.00 0.00 177.39 177.03 3gaa h LEU 219 N 0.00 -0.63 -0.63 2.23 6.46 -1.94 -1.55 115.31 119.25 3gaa h LEU 219 Ca 0.00 0.02 0.13 0.00 -0.12 0.00 0.00 57.88 57.91 3gaa h LEU 219 Cb 0.00 0.16 -0.11 0.00 -0.73 0.00 0.00 40.66 39.98 3gaa h LEU 219 CO 0.00 -0.29 -0.07 -0.33 -0.62 0.00 0.00 178.44 177.13 3gaa h GLU 220 N -1.07 0.06 -0.02 1.25 3.07 -1.90 0.67 114.58 116.64 3gaa h GLU 220 Ca -0.08 -0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.80 3gaa h GLU 220 Cb 0.57 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.45 3gaa h GLU 220 CO 0.12 0.04 -0.08 0.93 -1.40 0.00 0.00 179.01 178.62 3gaa h GLU 221 N 0.06 -0.12 -0.15 2.33 4.39 -1.97 -1.04 114.58 118.08 3gaa h GLU 221 Ca 0.32 0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.86 3gaa h GLU 221 Cb 0.51 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.19 3gaa h GLU 221 CO -0.59 -0.08 -0.56 1.96 -1.16 0.00 0.00 179.01 178.58 3gaa h GLN 222 N -0.13 0.65 -0.32 2.33 4.20 -0.18 -2.87 115.11 118.78 3gaa h GLN 222 Ca 0.04 -0.49 -0.06 0.00 0.06 0.00 0.00 58.65 58.19 3gaa h GLN 222 Cb 0.17 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3gaa h GLN 222 CO -0.09 1.11 -0.07 0.28 -0.67 0.00 0.00 178.83 179.39 3gaa h VAL 223 N 0.31 1.22 -0.45 -0.54 2.07 0.31 -1.07 116.25 118.11 3gaa h VAL 223 Ca -0.03 -0.92 -0.07 0.00 0.82 0.00 0.00 66.70 66.49 3gaa h VAL 223 Cb 1.19 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 3gaa h VAL 223 CO 0.12 0.31 -0.02 0.11 0.02 0.00 0.00 177.57 178.11 3gaa h LYS 224 N 0.49 0.75 -0.54 1.57 1.57 -1.21 -1.34 116.57 117.87 3gaa h LYS 224 Ca 0.10 -0.20 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 3gaa h LYS 224 Cb 0.43 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3gaa h LYS 224 CO 0.02 0.77 -0.05 0.00 -0.57 0.00 0.00 179.45 179.62 3gaa h ALA 225 N 1.28 0.73 -0.15 3.86 0.00 -1.13 -2.84 119.26 121.01 3gaa h ALA 225 Ca 0.13 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 3gaa h ALA 225 Cb 0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3gaa h ALA 225 CO 0.02 0.60 -0.41 -0.07 0.00 0.00 0.00 179.25 179.39 3gaa h LEU 226 N 0.86 0.35 -0.66 0.00 3.38 -1.14 -2.95 115.31 115.14 3gaa h LEU 226 Ca 0.15 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3gaa h LEU 226 Cb 0.60 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3gaa h LEU 226 CO 0.04 0.72 -0.36 -0.78 0.09 0.00 0.00 178.44 178.15 3gaa h ASP 227 N 0.28 0.67 -0.41 -0.43 1.82 -1.03 0.21 116.42 117.53 3gaa h ASP 227 Ca 0.03 -0.28 -0.03 0.00 -0.39 0.00 0.00 57.03 56.35 3gaa h ASP 227 Cb 0.84 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.65 3gaa h ASP 227 CO 0.07 0.97 0.13 -0.33 -1.61 0.00 0.00 179.24 178.47 3gaa h GLU 228 N 0.53 0.64 -0.04 0.28 5.08 -1.50 -1.40 114.58 118.17 3gaa h GLU 228 Ca 0.05 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3gaa h GLU 228 Cb 0.87 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 3gaa h GLU 228 CO 0.08 0.63 -0.06 1.96 -1.00 0.00 0.00 179.01 180.62 3gaa h GLN 229 N 0.52 -0.09 0.00 2.33 4.20 -1.18 -2.00 115.11 118.90 3gaa h GLN 229 Ca 0.13 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 3gaa h GLN 229 Cb 0.26 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3gaa h GLN 229 CO -0.00 -0.06 -0.34 0.82 -0.67 0.00 0.00 178.83 178.58 3gaa h ILE 230 N -0.09 0.97 -0.29 2.54 5.03 -0.45 -2.41 117.51 122.81 3gaa h ILE 230 Ca 0.04 -1.28 -0.05 0.00 -0.12 0.00 0.00 64.86 63.45 3gaa h ILE 230 Cb 0.14 1.75 -0.01 0.00 -3.03 0.00 0.00 36.82 35.67 3gaa h ILE 230 CO -0.09 0.33 -0.03 0.50 -0.68 0.00 0.00 178.15 178.18 3gaa h LYS 231 N 0.00 0.52 -0.63 2.37 3.64 -1.08 -1.65 116.57 119.74 3gaa h LYS 231 Ca -0.00 -0.18 0.11 0.00 -1.27 0.00 0.00 60.65 59.31 3gaa h LYS 231 Cb 0.72 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.42 3gaa h LYS 231 CO 0.04 0.69 0.20 0.87 -2.27 0.00 0.00 179.45 178.98 3gaa h LYS 232 N 0.30 0.34 -0.01 1.90 1.57 -0.86 0.04 116.57 119.84 3gaa h LYS 232 Ca 0.08 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3gaa h LYS 232 Cb 0.48 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3gaa h LYS 232 CO 0.02 0.22 -0.05 0.82 -0.57 0.00 0.00 179.45 179.89 3gaa h ILE 233 N 0.35 1.49 -0.64 1.86 2.04 -1.40 -0.55 117.51 120.65 3gaa h ILE 233 Ca 0.33 -1.52 0.12 0.00 1.00 0.00 0.00 64.86 64.79 3gaa h ILE 233 Cb 0.46 2.47 -0.12 0.00 -0.74 0.00 0.00 36.82 38.89 3gaa h ILE 233 CO -0.37 0.40 -0.30 -0.33 0.00 0.00 0.00 178.15 177.56 3gaa h GLU 234 N -0.55 -0.11 -0.52 2.37 5.08 -1.23 0.24 114.58 119.86 3gaa h GLU 234 Ca -0.00 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.47 3gaa h GLU 234 Cb 0.68 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.87 3gaa h GLU 234 CO 0.01 -0.08 0.01 1.49 -1.00 0.00 0.00 179.01 179.45 3gaa h GLU 235 N -0.12 0.13 0.00 2.33 4.57 -0.82 -1.60 114.58 119.07 3gaa h GLU 235 Ca 0.26 -0.01 -0.18 0.00 -1.18 0.00 0.00 59.36 58.25 3gaa h GLU 235 Cb 0.55 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 3gaa h GLU 235 CO -0.71 0.08 -0.88 1.96 -1.18 0.00 0.00 179.01 178.29 3gaa h GLN 236 N 0.13 0.00 -0.17 1.92 4.20 -0.56 -2.66 115.11 117.98 3gaa h GLN 236 Ca 0.27 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.82 3gaa h GLN 236 Cb 0.40 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3gaa h GLN 236 CO -0.43 0.88 -0.53 -0.92 -0.67 0.00 0.00 178.83 177.16 3gaa h TYR 237 N 0.00 0.59 -0.26 2.96 3.20 -0.20 -2.36 116.97 120.91 3gaa h TYR 237 Ca -0.01 -0.20 -0.02 0.00 3.14 0.00 0.00 58.73 61.63 3gaa h TYR 237 Cb 1.59 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.73 3gaa h TYR 237 CO 0.00 0.90 0.07 -0.22 -1.64 0.00 0.00 178.16 177.27 3gaa h LYS 238 N 0.37 0.40 -0.51 1.82 3.64 -1.22 -2.23 116.57 118.85 3gaa h LYS 238 Ca 0.01 -0.09 0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3gaa h LYS 238 Cb 1.05 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 3gaa h LYS 238 CO 0.10 0.49 0.34 0.93 -2.27 0.00 0.00 179.45 179.04 3gaa h GLU 239 N 0.24 0.51 -0.05 1.90 5.08 -1.43 -1.88 114.58 118.95 3gaa h GLU 239 Ca 0.08 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3gaa h GLU 239 Cb 0.26 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3gaa h GLU 239 CO -0.00 0.34 -0.06 1.25 -1.00 0.00 0.00 179.01 179.54 3gaa h LEU 240 N 0.53 0.14 -0.91 1.33 5.85 -1.14 -2.42 115.31 118.68 3gaa h LEU 240 Ca 0.21 -0.50 0.10 0.00 0.84 0.00 0.00 57.88 58.54 3gaa h LEU 240 Cb 0.18 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 3gaa h LEU 240 CO -0.06 0.61 0.55 1.56 -0.34 0.00 0.00 178.44 180.77 3gaa h GLN 241 N -0.33 0.88 0.20 1.25 4.20 -1.20 -1.74 115.11 118.38 3gaa h GLN 241 Ca 0.01 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3gaa h GLN 241 Cb 0.58 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 3gaa h GLN 241 CO 0.01 0.58 -0.41 1.49 -0.67 0.00 0.00 178.83 179.83 3gaa h GLU 242 N 0.91 -0.65 -0.92 1.46 4.57 -1.32 -3.12 114.58 115.51 3gaa h GLU 242 Ca 0.44 0.04 0.21 0.00 -1.18 0.00 0.00 59.36 58.87 3gaa h GLU 242 Cb 0.40 0.15 -0.12 0.00 -0.16 0.00 0.00 28.75 29.02 3gaa h GLU 242 CO -0.25 -0.43 0.48 0.87 -1.18 0.00 0.00 179.01 178.49 3gaa h LYS 243 N -0.67 0.52 -0.09 1.92 1.57 -0.89 -2.99 116.57 115.93 3gaa h LYS 243 Ca -0.02 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3gaa h LYS 243 Cb 0.64 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 3gaa h LYS 243 CO -0.17 0.34 0.13 1.96 -0.57 0.00 0.00 179.45 181.15 3gaa h GLN 244 N 0.53 0.00 0.00 3.15 4.20 -1.27 -3.20 115.11 118.52 3gaa h GLN 244 Ca 0.56 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.27 3gaa h GLN 244 Cb 0.99 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.77 3gaa h GLN 244 CO -0.46 0.00 0.03 1.63 -0.67 0.00 0.00 178.83 179.35 3gaa n LYS 245 N -3.64 0.00 0.00 1.46 5.02 -1.13 -5.13 118.16 114.74 3gaa n LYS 245 Ca -0.01 0.42 0.05 0.00 -2.02 0.00 0.00 58.31 56.76 3gaa n LYS 245 Cb 0.23 -1.53 0.05 0.00 -0.02 0.00 0.00 35.03 33.76 3gaa n LYS 245 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27