#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqr s SER 33 N 0.00 -0.64 -0.16 0.00 0.15 -1.26 -4.45 113.70 107.33 2aqr s SER 33 Ca 0.00 1.02 0.01 0.00 0.70 0.00 0.00 55.95 57.67 2aqr s SER 33 Cb 0.00 0.98 0.02 0.00 -1.71 0.00 0.00 66.02 65.31 2aqr s SER 33 CO 0.00 -0.39 -0.16 -0.63 1.20 0.00 0.00 173.24 173.26 2aqr s ILE 34 N -0.34 1.74 -0.35 6.45 1.01 -0.28 -4.97 121.20 124.46 2aqr s ILE 34 Ca -0.05 -0.76 -0.14 0.00 0.00 0.00 0.00 60.65 59.70 2aqr s ILE 34 Cb -0.03 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 2aqr s ILE 34 CO 0.05 0.47 0.30 -0.70 0.00 0.00 0.00 174.94 175.06 2aqr s GLU 35 N 1.42 3.47 -0.24 2.79 2.12 -1.26 -0.36 118.70 126.63 2aqr s GLU 35 Ca 0.05 -0.58 -0.12 0.00 0.36 0.00 0.00 54.97 54.67 2aqr s GLU 35 Cb -0.13 -3.83 -0.05 0.00 0.26 0.00 0.00 34.13 30.39 2aqr s GLU 35 CO -0.11 -0.52 0.23 0.08 -0.54 0.00 0.00 175.26 174.40 2aqr s VAL 36 N 1.86 5.30 -0.23 3.70 1.01 0.01 -4.96 120.40 127.09 2aqr s VAL 36 Ca 0.09 0.32 -0.29 0.00 0.00 0.00 0.00 61.98 62.10 2aqr s VAL 36 Cb -0.17 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.65 2aqr s VAL 36 CO 0.11 0.29 1.03 -0.75 0.00 0.00 0.00 175.10 175.78 2aqr s LYS 37 N 1.36 4.26 -0.11 2.72 2.20 -1.26 -1.27 119.74 127.64 2aqr s LYS 37 Ca 0.10 1.35 -0.02 0.00 -0.36 0.00 0.00 55.97 57.04 2aqr s LYS 37 Cb -0.14 -3.64 -0.03 0.00 -1.51 0.00 0.00 37.83 32.51 2aqr s LYS 37 CO 0.07 -0.62 -0.03 0.08 -0.36 0.00 0.00 175.35 174.48 2aqr s VAL 38 N 3.17 3.97 0.07 4.02 1.01 -0.39 -4.27 120.40 127.98 2aqr s VAL 38 Ca 0.44 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 62.13 2aqr s VAL 38 Cb -0.15 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 2aqr s VAL 38 CO 0.06 0.56 -0.20 -1.10 0.00 0.00 0.00 175.10 174.42 2aqr s GLN 39 N -0.35 1.20 0.02 2.72 -0.21 -0.56 -1.75 119.66 120.74 2aqr s GLN 39 Ca 0.06 -1.03 -0.30 0.00 0.02 0.00 0.00 55.36 54.11 2aqr s GLN 39 Cb -0.12 -1.37 -0.04 0.00 1.00 0.00 0.00 33.01 32.47 2aqr s GLN 39 CO 0.02 0.33 1.10 -1.14 -2.12 0.00 0.00 175.29 173.49 2aqr s GLN 40 N -1.54 4.48 -0.13 2.91 0.74 0.20 -1.43 119.66 124.89 2aqr s GLN 40 Ca 0.06 1.61 -0.25 0.00 0.05 0.00 0.00 55.36 56.83 2aqr s GLN 40 Cb -0.09 -3.42 -0.02 0.00 1.10 0.00 0.00 33.01 30.58 2aqr s GLN 40 CO 0.03 -0.19 0.80 -0.51 -0.55 0.00 0.00 175.29 174.87 2aqr s LEU 41 N 1.17 4.23 -0.34 3.68 1.43 -0.13 -1.61 118.68 127.10 2aqr s LEU 41 Ca 0.55 1.21 0.01 0.00 -1.03 0.00 0.00 54.13 54.87 2aqr s LEU 41 Cb -0.25 -3.21 0.14 0.00 0.03 0.00 0.00 46.19 42.90 2aqr s LEU 41 CO 0.28 -0.31 0.28 -0.62 0.23 0.00 0.00 176.35 176.21 2aqr s ASP 42 N 1.06 2.13 0.50 2.29 -1.08 -1.26 -4.94 116.67 115.37 2aqr s ASP 42 Ca 0.39 -1.67 0.34 0.00 -0.52 0.00 0.00 52.55 51.09 2aqr s ASP 42 Cb -0.17 0.11 1.79 0.00 -1.46 0.00 0.00 42.92 43.18 2aqr s ASP 42 CO 0.15 -0.31 2.04 -0.65 0.52 0.00 0.00 175.17 176.92 2aqr h PRO 43 N 7.33 0.00 0.00 4.34 0.11 -1.90 0.64 132.00 142.52 2aqr h PRO 43 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2aqr h PRO 43 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2aqr h PRO 43 CO 0.26 0.00 -0.49 0.28 -0.21 0.00 0.00 178.00 177.85 2aqr n VAL 44 N -2.73 1.28 1.09 3.15 0.31 -1.26 -4.64 118.33 115.54 2aqr n VAL 44 Ca -0.02 0.24 0.12 0.00 -0.01 0.00 0.00 64.34 64.67 2aqr n VAL 44 Cb 0.09 -2.31 0.17 0.00 -0.91 0.00 0.00 33.84 30.88 2aqr n VAL 44 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2aqr n ASN 45 N -4.38 1.14 0.00 4.52 4.13 -1.23 -5.06 115.26 114.37 2aqr n ASN 45 Ca -0.07 -0.91 0.00 0.00 1.68 0.00 0.00 54.58 55.28 2aqr n ASN 45 Cb 0.25 0.40 0.00 0.00 -1.54 0.00 0.00 39.78 38.89 2aqr n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2aqr n GLY 46 N 1.43 2.50 3.76 7.41 0.00 0.21 -5.05 105.19 115.46 2aqr n GLY 46 Ca 0.08 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.12 2aqr n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2aqr s ASN 47 N 0.00 5.27 -0.02 1.61 0.01 -1.24 -4.32 114.94 116.24 2aqr s ASN 47 Ca 0.00 2.21 0.03 0.00 -0.71 0.00 0.00 52.86 54.39 2aqr s ASN 47 Cb 0.00 -2.58 -0.00 0.00 0.41 0.00 0.00 41.25 39.08 2aqr s ASN 47 CO 0.00 -1.53 -0.12 -0.54 -1.51 0.00 0.00 177.10 173.40 2aqr s LYS 48 N -3.56 1.13 0.22 -0.60 1.02 -0.63 -4.93 119.74 112.38 2aqr s LYS 48 Ca 0.73 -0.41 -0.31 0.00 0.02 0.00 0.00 55.97 56.00 2aqr s LYS 48 Cb -0.25 -1.04 -0.11 0.00 -0.52 0.00 0.00 37.83 35.91 2aqr s LYS 48 CO 0.34 0.19 1.58 -0.51 -0.92 0.00 0.00 175.35 176.03 2aqr s ASP 49 N 0.01 6.51 0.00 2.83 1.01 -1.26 0.63 116.67 126.40 2aqr s ASP 49 Ca -0.01 2.74 0.00 0.00 0.71 0.00 0.00 52.55 56.00 2aqr s ASP 49 Cb -0.08 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.24 2aqr s ASP 49 CO 0.00 -0.85 0.63 1.33 0.21 0.00 0.00 175.17 176.49 2aqr n VAL 50 N 3.30 0.31 0.00 -1.27 0.24 -0.71 -4.81 118.33 115.38 2aqr n VAL 50 Ca 0.12 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 2aqr n VAL 50 Cb 0.38 0.90 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 2aqr n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aqr n GLY 51 N -0.16 0.56 3.16 7.63 0.00 -1.20 -1.06 105.19 114.13 2aqr n GLY 51 Ca 0.00 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 2aqr n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aqr s THR 52 N -2.02 0.11 -0.13 2.61 -4.23 -0.84 -1.26 115.64 109.87 2aqr s THR 52 Ca 0.00 -1.86 -0.02 0.00 -1.18 0.00 0.00 61.69 58.63 2aqr s THR 52 Cb 0.00 -2.00 0.04 0.00 1.34 0.00 0.00 72.50 71.88 2aqr s THR 52 CO 0.00 -0.48 -0.00 -0.69 -0.54 0.00 0.00 174.62 172.91 2aqr s VAL 53 N -4.03 0.59 -0.20 2.29 1.01 -0.40 -0.81 120.40 118.85 2aqr s VAL 53 Ca 0.23 -0.25 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 2aqr s VAL 53 Cb 0.07 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 2aqr s VAL 53 CO 0.01 0.09 0.23 -0.89 0.00 0.00 0.00 175.10 174.54 2aqr s THR 54 N 1.86 5.34 -0.19 3.92 2.01 0.30 -0.81 115.64 128.06 2aqr s THR 54 Ca 0.02 0.38 -0.06 0.00 0.31 0.00 0.00 61.69 62.34 2aqr s THR 54 Cb -0.14 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 2aqr s THR 54 CO -0.07 0.37 0.03 -0.63 -0.69 0.00 0.00 174.62 173.64 2aqr s ILE 55 N 0.70 4.40 0.23 1.82 1.01 0.52 -0.43 121.20 129.45 2aqr s ILE 55 Ca 0.12 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.63 2aqr s ILE 55 Cb -0.13 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 2aqr s ILE 55 CO 0.03 0.44 0.04 0.42 0.00 0.00 0.00 174.94 175.86 2aqr s THR 56 N 0.68 0.79 -0.10 2.92 -4.23 -0.56 -1.12 115.64 114.02 2aqr s THR 56 Ca 0.02 -2.01 -0.04 0.00 -1.18 0.00 0.00 61.69 58.49 2aqr s THR 56 Cb -0.14 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 2aqr s THR 56 CO 0.02 -0.23 0.05 -1.61 -0.54 0.00 0.00 174.62 172.30 2aqr s GLU 57 N -3.94 3.15 0.35 3.99 2.02 -1.26 -0.62 118.70 122.38 2aqr s GLU 57 Ca 0.31 -0.32 0.04 0.00 0.02 0.00 0.00 54.97 55.03 2aqr s GLU 57 Cb 0.07 -2.93 -0.06 0.00 0.10 0.00 0.00 34.13 31.31 2aqr s GLU 57 CO 0.10 0.72 0.05 -1.54 0.02 0.00 0.00 175.26 174.61 2aqr s SER 58 N -0.91 2.67 0.00 -0.19 1.04 -0.62 -4.91 113.70 110.77 2aqr s SER 58 Ca 0.14 -1.40 0.14 0.00 0.48 0.00 0.00 55.95 55.31 2aqr s SER 58 Cb -0.12 -0.09 0.81 0.00 0.10 0.00 0.00 66.02 66.72 2aqr s SER 58 CO 0.03 -0.60 1.31 0.59 0.98 0.00 0.00 173.24 175.55 2aqr n ASN 59 N -0.77 0.00 -0.05 7.02 3.02 -1.26 -2.61 115.26 120.60 2aqr n ASN 59 Ca -0.03 -0.27 0.02 0.00 -0.03 0.00 0.00 54.58 54.26 2aqr n ASN 59 Cb 0.67 -0.09 0.02 0.00 -0.61 0.00 0.00 39.78 39.76 2aqr n ASN 59 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2aqr n TYR 60 N -1.09 0.00 0.00 3.10 4.01 -1.26 -5.12 117.16 116.79 2aqr n TYR 60 Ca 0.09 -0.41 0.00 0.00 -0.16 0.00 0.00 57.90 57.42 2aqr n TYR 60 Cb 0.07 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 2aqr n TYR 60 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aqr n GLY 61 N -0.48 1.35 3.74 2.72 0.00 -1.07 -4.17 105.19 107.27 2aqr n GLY 61 Ca 0.03 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 2aqr n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqr s LEU 62 N 0.00 4.50 -0.16 0.99 1.43 -0.06 -1.59 118.68 123.80 2aqr s LEU 62 Ca 0.00 2.14 -0.04 0.00 -1.03 0.00 0.00 54.13 55.19 2aqr s LEU 62 Cb 0.00 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 2aqr s LEU 62 CO 0.00 -0.20 -0.02 -0.69 0.23 0.00 0.00 176.35 175.67 2aqr s VAL 63 N -0.45 4.07 -0.30 -1.59 1.01 0.20 -0.93 120.40 122.41 2aqr s VAL 63 Ca 0.48 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 2aqr s VAL 63 Cb -0.30 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.30 2aqr s VAL 63 CO 0.36 0.49 0.08 -0.36 0.00 0.00 0.00 175.10 175.68 2aqr s PHE 64 N 0.34 3.16 -0.35 5.22 0.40 0.04 -1.50 117.98 125.29 2aqr s PHE 64 Ca -0.03 -1.02 -0.07 0.00 -0.60 0.00 0.00 56.93 55.22 2aqr s PHE 64 Cb -0.14 -2.26 0.05 0.00 0.51 0.00 0.00 43.02 41.18 2aqr s PHE 64 CO 0.02 -0.59 0.13 0.99 0.70 0.00 0.00 175.22 176.47 2aqr s THR 65 N 1.49 3.80 0.50 0.64 2.01 0.43 -1.42 115.64 123.09 2aqr s THR 65 Ca 0.02 -1.24 -0.10 0.00 0.31 0.00 0.00 61.69 60.69 2aqr s THR 65 Cb -0.17 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 2aqr s THR 65 CO 0.03 -0.26 0.87 -2.16 -0.69 0.00 0.00 174.62 172.41 2aqr s PRO 66 N 1.39 3.68 -0.45 4.92 0.04 -1.26 -0.54 135.00 142.77 2aqr s PRO 66 Ca -0.00 0.52 0.07 0.00 0.04 0.00 0.00 61.00 61.63 2aqr s PRO 66 Cb -0.20 -2.27 0.24 0.00 0.04 0.00 0.00 34.50 32.31 2aqr s PRO 66 CO 0.02 -0.26 0.72 -3.47 0.04 0.00 0.00 177.00 174.04 2aqr n ASP 67 N -2.03 -1.66 -4.59 6.66 4.64 0.01 -4.08 116.55 115.50 2aqr n ASP 67 Ca 0.03 -3.01 -0.23 0.00 -1.38 0.00 0.00 54.79 50.20 2aqr n ASP 67 Cb 0.54 0.78 -0.08 0.00 -1.04 0.00 0.00 41.12 41.32 2aqr n ASP 67 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2aqr s LEU 68 N -0.76 3.00 0.21 -2.67 1.43 -0.55 -1.99 118.68 117.34 2aqr s LEU 68 Ca 0.33 -0.79 -0.15 0.00 -1.03 0.00 0.00 54.13 52.49 2aqr s LEU 68 Cb 0.19 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.92 2aqr s LEU 68 CO -0.18 -0.01 0.48 0.00 0.23 0.00 0.00 176.35 176.87 2aqr s GLN 69 N -3.63 1.40 -0.14 1.70 -2.07 -0.22 -1.43 119.66 115.27 2aqr s GLN 69 Ca 0.31 -1.03 0.00 0.00 -1.82 0.00 0.00 55.36 52.83 2aqr s GLN 69 Cb -0.05 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.35 2aqr s GLN 69 CO 0.18 -0.58 0.00 0.41 -1.32 0.00 0.00 175.29 173.98 2aqr n GLY 70 N -0.33 0.50 3.96 2.60 0.00 -0.83 -4.76 105.19 106.33 2aqr n GLY 70 Ca -0.07 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 2aqr n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqr s LEU 71 N -0.30 4.15 0.28 0.99 1.43 -0.85 -5.06 118.68 119.31 2aqr s LEU 71 Ca 0.00 0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 52.96 2aqr s LEU 71 Cb 0.00 -2.98 -0.09 0.00 0.03 0.00 0.00 46.19 43.14 2aqr s LEU 71 CO 0.00 -0.22 1.11 -0.94 0.23 0.00 0.00 176.35 176.53 2aqr s SER 72 N -4.03 7.25 0.36 2.29 1.04 -1.26 -4.23 113.70 115.12 2aqr s SER 72 Ca 0.38 2.27 -0.28 0.00 0.48 0.00 0.00 55.95 58.80 2aqr s SER 72 Cb -0.09 -2.63 -0.12 0.00 0.10 0.00 0.00 66.02 63.29 2aqr s SER 72 CO 0.32 -0.16 1.42 1.21 0.98 0.00 0.00 173.24 177.01 2aqr n GLU 73 N 1.24 2.48 0.00 4.02 2.13 -1.26 -4.77 120.64 124.48 2aqr n GLU 73 Ca -0.01 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.68 2aqr n GLU 73 Cb 0.45 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.61 2aqr n GLU 73 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2aqr n GLY 74 N 0.60 0.74 3.79 8.31 0.00 -0.10 -4.98 105.19 113.56 2aqr n GLY 74 Ca 0.03 -2.16 -0.38 0.00 0.00 0.00 0.00 46.02 43.50 2aqr n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqr s LEU 75 N 0.00 4.46 -0.02 0.99 1.43 -1.26 -1.09 118.68 123.19 2aqr s LEU 75 Ca 0.00 1.14 0.05 0.00 -1.03 0.00 0.00 54.13 54.29 2aqr s LEU 75 Cb 0.00 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.37 2aqr s LEU 75 CO 0.00 0.20 -0.17 -1.00 0.23 0.00 0.00 176.35 175.61 2aqr s HIS 76 N -0.62 1.53 0.32 0.29 3.76 0.00 -3.51 115.29 117.07 2aqr s HIS 76 Ca 0.28 -0.31 -0.29 0.00 -0.15 0.00 0.00 55.06 54.60 2aqr s HIS 76 Cb -0.18 -0.99 -0.12 0.00 1.11 0.00 0.00 32.58 32.39 2aqr s HIS 76 CO 0.17 -0.04 1.39 0.41 -0.85 0.00 0.00 174.74 175.82 2aqr n GLY 77 N 2.73 0.85 2.63 -2.22 0.00 0.15 -1.28 105.19 108.05 2aqr n GLY 77 Ca -0.15 0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 2aqr n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2aqr s PHE 78 N -0.74 0.10 0.07 1.61 5.36 -1.26 -0.76 117.98 122.36 2aqr s PHE 78 Ca 0.59 -0.31 -0.04 0.00 -0.96 0.00 0.00 56.93 56.21 2aqr s PHE 78 Cb -0.56 -0.66 -0.02 0.00 -0.34 0.00 0.00 43.02 41.44 2aqr s PHE 78 CO 0.58 -0.60 0.06 -1.01 -1.46 0.00 0.00 175.22 172.80 2aqr s HIS 79 N 2.17 0.39 -0.14 10.12 3.76 -0.79 -2.63 115.29 128.17 2aqr s HIS 79 Ca 0.04 -0.89 -0.19 0.00 -0.15 0.00 0.00 55.06 53.88 2aqr s HIS 79 Cb -0.16 -0.26 -0.04 0.00 1.11 0.00 0.00 32.58 33.23 2aqr s HIS 79 CO -0.15 -0.46 0.53 0.42 -0.85 0.00 0.00 174.74 174.24 2aqr s ILE 80 N -3.90 5.13 0.20 0.60 -1.09 0.17 -0.22 121.20 122.09 2aqr s ILE 80 Ca 0.07 1.04 0.05 0.00 -2.23 0.00 0.00 60.65 59.59 2aqr s ILE 80 Cb 0.07 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 2aqr s ILE 80 CO -0.10 0.25 0.20 -1.00 -1.23 0.00 0.00 174.94 173.07 2aqr s HIS 81 N 1.06 3.22 0.19 3.97 3.76 0.97 -0.93 115.29 127.54 2aqr s HIS 81 Ca 0.27 -0.03 -0.12 0.00 -0.15 0.00 0.00 55.06 55.04 2aqr s HIS 81 Cb -0.16 -1.51 0.15 0.00 1.11 0.00 0.00 32.58 32.17 2aqr s HIS 81 CO 0.11 0.51 1.82 1.05 -0.85 0.00 0.00 174.74 177.39 2aqr h GLU 82 N 1.93 0.68 -6.05 1.40 4.11 -1.19 -2.42 114.58 113.05 2aqr h GLU 82 Ca -0.49 -0.04 -0.60 0.00 0.07 0.00 0.00 59.36 58.30 2aqr h GLU 82 Cb 1.21 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.26 2aqr h GLU 82 CO 0.63 0.45 -0.22 -0.80 0.07 0.00 0.00 179.01 179.14 2aqr s ASN 83 N -5.64 6.74 -1.59 3.06 0.01 0.40 -4.53 114.94 113.39 2aqr s ASN 83 Ca -0.13 0.90 -0.11 0.00 -0.71 0.00 0.00 52.86 52.82 2aqr s ASN 83 Cb 0.14 -2.22 -0.06 0.00 0.41 0.00 0.00 41.25 39.52 2aqr s ASN 83 CO 0.75 0.27 2.82 -0.81 -1.51 0.00 0.00 177.10 178.62 2aqr n PRO 84 N 1.47 3.58 -3.67 -0.60 -0.04 -1.24 -3.28 135.00 131.22 2aqr n PRO 84 Ca -0.12 -2.31 -0.14 0.00 -0.04 0.00 0.00 63.50 60.90 2aqr n PRO 84 Cb 0.52 -2.88 -0.08 0.00 -0.04 0.00 0.00 33.50 31.02 2aqr n PRO 84 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2aqr s SER 85 N 2.30 -0.56 0.00 3.54 0.15 -1.26 -4.96 113.70 112.91 2aqr s SER 85 Ca 0.65 1.02 0.05 0.00 0.70 0.00 0.00 55.95 58.38 2aqr s SER 85 Cb 0.17 1.04 0.13 0.00 -1.71 0.00 0.00 66.02 65.65 2aqr s SER 85 CO -0.07 -0.25 1.06 0.00 1.20 0.00 0.00 173.24 175.19 2aqr s GLU 87 N -0.93 2.95 0.75 0.00 0.41 -1.26 -3.77 118.70 116.85 2aqr s GLU 87 Ca 0.10 1.15 -0.10 0.00 -0.41 0.00 0.00 54.97 55.71 2aqr s GLU 87 Cb 0.05 -1.98 0.05 0.00 -1.78 0.00 0.00 34.13 30.47 2aqr s GLU 87 CO 0.07 -1.10 1.11 -1.25 -0.49 0.00 0.00 175.26 173.60 2aqr s PRO 88 N -4.50 2.32 -0.04 0.39 0.04 -1.26 -0.71 135.00 131.24 2aqr s PRO 88 Ca 0.62 0.14 -0.05 0.00 0.04 0.00 0.00 61.00 61.75 2aqr s PRO 88 Cb -0.16 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.36 2aqr s PRO 88 CO 0.46 -1.31 0.12 0.15 0.04 0.00 0.00 177.00 176.46 2aqr s LYS 89 N -5.42 0.21 0.08 4.56 1.02 -0.96 -4.47 119.74 114.76 2aqr s LYS 89 Ca 0.60 0.05 -0.31 0.00 0.02 0.00 0.00 55.97 56.33 2aqr s LYS 89 Cb -0.11 0.09 -0.08 0.00 -0.52 0.00 0.00 37.83 37.21 2aqr s LYS 89 CO 0.49 -0.03 1.56 -1.21 -0.92 0.00 0.00 175.35 175.23 2aqr s GLU 90 N -0.23 4.23 -0.14 1.68 0.41 -1.26 -1.45 118.70 121.95 2aqr s GLU 90 Ca -0.03 2.24 -0.04 0.00 -0.41 0.00 0.00 54.97 56.73 2aqr s GLU 90 Cb -0.02 -3.47 0.05 0.00 -1.78 0.00 0.00 34.13 28.90 2aqr s GLU 90 CO 0.00 -0.65 0.06 -1.14 -0.49 0.00 0.00 175.26 173.05 2aqr s GLN 91 N 2.15 0.21 -1.36 1.61 0.74 0.72 -4.81 119.66 118.92 2aqr s GLN 91 Ca 0.70 -0.03 -0.08 0.00 0.05 0.00 0.00 55.36 56.00 2aqr s GLN 91 Cb -0.39 -1.51 0.02 0.00 1.10 0.00 0.00 33.01 32.23 2aqr s GLN 91 CO 0.31 -0.55 1.10 -1.91 -0.55 0.00 0.00 175.29 173.69 2aqr n GLU 92 N 5.22 -7.22 0.00 1.67 2.13 -1.26 -2.01 120.64 119.18 2aqr n GLU 92 Ca -0.07 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.54 2aqr n GLU 92 Cb 0.49 -5.79 0.00 0.00 0.27 0.00 0.00 31.44 26.41 2aqr n GLU 92 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2aqr n GLY 93 N -1.79 2.94 3.83 8.31 0.00 -1.26 -5.01 105.19 112.20 2aqr n GLY 93 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 2aqr n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aqr s LYS 94 N -0.08 3.53 -0.66 1.61 -2.85 -0.85 -5.03 119.74 115.41 2aqr s LYS 94 Ca 0.00 -0.18 -0.27 0.00 -1.00 0.00 0.00 55.97 54.52 2aqr s LYS 94 Cb 0.00 -3.19 0.01 0.00 -2.06 0.00 0.00 37.83 32.60 2aqr s LYS 94 CO 0.00 0.68 1.46 -1.17 0.10 0.00 0.00 175.35 176.42 2aqr s LEU 95 N -0.74 3.25 -0.21 2.77 2.96 -1.26 -0.20 118.68 125.25 2aqr s LEU 95 Ca 0.13 -0.07 -0.19 0.00 -0.22 0.00 0.00 54.13 53.78 2aqr s LEU 95 Cb -0.12 -2.67 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 2aqr s LEU 95 CO 0.03 -1.95 0.56 -0.89 -1.32 0.00 0.00 176.35 172.78 2aqr s THR 96 N 6.67 5.07 0.25 3.68 2.01 -0.53 -4.88 115.64 127.92 2aqr s THR 96 Ca 0.47 1.02 -0.30 0.00 0.31 0.00 0.00 61.69 63.19 2aqr s THR 96 Cb -0.10 -3.87 -0.14 0.00 0.01 0.00 0.00 72.50 68.40 2aqr s THR 96 CO 0.19 0.14 1.30 0.00 -0.69 0.00 0.00 174.62 175.56 2aqr n ALA 97 N 5.02 0.70 -0.96 7.40 0.00 -1.26 -2.26 120.51 129.14 2aqr n ALA 97 Ca -0.03 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2aqr n ALA 97 Cb 0.50 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.75 2aqr n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aqr n GLY 98 N 1.77 0.03 0.29 0.00 0.00 -1.25 -4.50 105.19 101.53 2aqr n GLY 98 Ca 0.11 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.30 2aqr n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2aqr h LEU 99 N 0.00 0.00 -0.49 0.99 3.38 -1.52 -2.24 115.31 115.43 2aqr h LEU 99 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2aqr h LEU 99 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2aqr h LEU 99 CO 0.00 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.18 2aqr n GLY 100 N -0.51 -1.03 0.05 0.83 0.00 0.11 -1.92 105.19 102.73 2aqr n GLY 100 Ca -0.01 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.19 2aqr n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqr n ALA 101 N -1.65 2.30 -0.11 4.61 0.00 -0.84 -4.55 120.51 120.26 2aqr n ALA 101 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2aqr n ALA 101 Cb 0.15 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.14 2aqr n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aqr n GLY 102 N 1.39 -1.47 0.25 0.00 0.00 -0.81 -0.45 105.19 104.10 2aqr n GLY 102 Ca 0.06 -1.30 -0.02 0.00 0.00 0.00 0.00 46.02 44.77 2aqr n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqr n GLY 103 N 0.00 0.05 3.74 -0.02 0.00 -1.26 -4.71 105.19 102.98 2aqr n GLY 103 Ca 0.00 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 2aqr n GLY 103 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aqr s HIS 104 N -0.43 3.03 -0.02 1.61 3.76 -1.26 -1.50 115.29 120.48 2aqr s HIS 104 Ca 0.05 0.96 -0.33 0.00 -0.15 0.00 0.00 55.06 55.58 2aqr s HIS 104 Cb -0.00 -3.83 -0.11 0.00 1.11 0.00 0.00 32.58 29.74 2aqr s HIS 104 CO 0.03 -2.78 1.87 1.87 -0.85 0.00 0.00 174.74 174.88 2aqr n TRP 105 N 2.66 2.40 -3.08 1.40 -0.00 -0.10 -4.61 117.44 116.09 2aqr n TRP 105 Ca 0.08 -0.08 -0.18 0.00 -0.00 0.00 0.00 57.50 57.32 2aqr n TRP 105 Cb 0.40 -2.69 -0.02 0.00 -0.00 0.00 0.00 31.31 28.99 2aqr n TRP 105 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 2aqr n ASP 106 N 6.44 -0.26 0.26 5.87 2.03 -1.26 -1.53 116.55 128.09 2aqr n ASP 106 Ca 0.21 -3.00 0.12 0.00 0.52 0.00 0.00 54.79 52.64 2aqr n ASP 106 Cb 0.33 -0.03 0.68 0.00 -0.72 0.00 0.00 41.12 41.38 2aqr n ASP 106 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2aqr h PRO 107 N 3.52 0.00 -0.01 -0.67 0.13 -1.98 -2.58 132.00 130.41 2aqr h PRO 107 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2aqr h PRO 107 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2aqr h PRO 107 CO 0.42 0.14 -0.04 1.63 -0.23 0.00 0.00 178.00 179.92 2aqr n LYS 108 N -3.70 1.36 -2.83 0.86 5.02 -1.26 -4.96 118.16 112.65 2aqr n LYS 108 Ca -0.02 -0.67 -0.13 0.00 -2.02 0.00 0.00 58.31 55.47 2aqr n LYS 108 Cb 0.25 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.80 2aqr n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aqr n GLY 109 N 1.17 0.03 0.29 0.72 0.00 -0.97 -4.93 105.19 101.50 2aqr n GLY 109 Ca 0.19 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 2aqr n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqr h ALA 110 N 0.58 1.17 -5.57 4.61 0.00 -1.86 -3.46 119.26 114.72 2aqr h ALA 110 Ca -0.31 -0.24 -0.42 0.00 0.00 0.00 0.00 54.91 53.93 2aqr h ALA 110 Cb 1.21 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 2aqr h ALA 110 CO 0.32 0.54 -0.64 1.63 0.00 0.00 0.00 179.25 181.11 2aqr n LYS 111 N -4.23 -4.38 -3.64 0.00 5.02 -1.26 -4.89 118.16 104.78 2aqr n LYS 111 Ca 0.02 0.60 -0.14 0.00 -2.02 0.00 0.00 58.31 56.77 2aqr n LYS 111 Cb 0.28 -5.40 -0.07 0.00 -0.02 0.00 0.00 35.03 29.82 2aqr n LYS 111 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2aqr s GLN 112 N -6.18 0.79 0.01 1.97 0.74 -1.26 -5.07 119.66 110.67 2aqr s GLN 112 Ca 0.48 0.85 -0.19 0.00 0.05 0.00 0.00 55.36 56.55 2aqr s GLN 112 Cb -0.24 0.39 -0.06 0.00 1.10 0.00 0.00 33.01 34.20 2aqr s GLN 112 CO 0.59 -0.11 0.55 -1.58 -0.55 0.00 0.00 175.29 174.19 2aqr s HIS 113 N 0.21 3.72 0.00 1.67 5.65 -1.26 -1.53 115.29 123.74 2aqr s HIS 113 Ca -0.01 1.17 0.00 0.00 0.25 0.00 0.00 55.06 56.47 2aqr s HIS 113 Cb -0.04 -2.52 0.00 0.00 -1.18 0.00 0.00 32.58 28.84 2aqr s HIS 113 CO 0.02 0.46 0.00 0.41 -0.65 0.00 0.00 174.74 174.98 2aqr n GLY 114 N 2.17 3.85 3.86 1.59 0.00 -1.26 -4.10 105.19 111.31 2aqr n GLY 114 Ca -0.09 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 2aqr n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aqr s TYR 115 N -1.00 3.49 0.48 1.61 2.02 -1.25 -4.62 117.35 118.08 2aqr s TYR 115 Ca 0.00 1.23 0.34 0.00 -0.37 0.00 0.00 57.07 58.26 2aqr s TYR 115 Cb 0.00 -2.61 1.79 0.00 -0.40 0.00 0.00 41.96 40.74 2aqr s TYR 115 CO 0.00 -0.29 2.18 -1.35 -1.57 0.00 0.00 175.55 174.53 2aqr h PRO 116 N 0.89 0.00 -0.45 -1.71 0.11 -1.86 -1.99 132.00 126.99 2aqr h PRO 116 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2aqr h PRO 116 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2aqr h PRO 116 CO 0.63 0.05 0.00 -2.67 -0.21 0.00 0.00 178.00 175.79 2aqr n TRP 117 N -3.46 1.29 -3.71 0.65 2.14 -1.26 -4.28 117.44 108.81 2aqr n TRP 117 Ca -0.02 -0.72 -0.37 0.00 2.07 0.00 0.00 57.50 58.46 2aqr n TRP 117 Cb 0.17 -0.30 -0.12 0.00 -0.81 0.00 0.00 31.31 30.25 2aqr n TRP 117 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2aqr s GLN 118 N -2.29 3.59 0.43 -2.67 0.74 -0.75 -5.00 119.66 113.72 2aqr s GLN 118 Ca 0.45 -0.53 0.17 0.00 0.05 0.00 0.00 55.36 55.50 2aqr s GLN 118 Cb 0.32 -3.41 0.99 0.00 1.10 0.00 0.00 33.01 32.01 2aqr s GLN 118 CO 0.16 -0.25 1.94 -0.44 -0.55 0.00 0.00 175.29 176.15 2aqr h ASP 119 N 8.28 0.00 -1.36 6.67 3.32 -1.91 -3.01 116.42 128.41 2aqr h ASP 119 Ca -0.36 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 55.98 2aqr h ASP 119 Cb 1.17 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.43 2aqr h ASP 119 CO 0.58 0.24 0.93 -0.90 -1.72 0.00 0.00 179.24 178.37 2aqr n ASP 120 N -4.06 7.62 -4.30 6.45 3.85 -1.26 -4.90 116.55 119.95 2aqr n ASP 120 Ca -0.02 -3.81 -0.17 0.00 -0.71 0.00 0.00 54.79 50.08 2aqr n ASP 120 Cb 0.31 -1.00 -0.10 0.00 -1.35 0.00 0.00 41.12 38.97 2aqr n ASP 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2aqr s ALA 121 N -3.92 1.78 0.19 2.12 0.00 -1.14 -4.68 121.76 116.12 2aqr s ALA 121 Ca 0.60 -1.55 -0.32 0.00 0.00 0.00 0.00 51.96 50.69 2aqr s ALA 121 Cb 0.48 -0.05 -0.15 0.00 0.00 0.00 0.00 23.12 23.40 2aqr s ALA 121 CO -0.16 0.03 1.21 0.72 0.00 0.00 0.00 175.76 177.57 2aqr n HIS 122 N -0.16 1.49 0.29 0.00 8.25 -0.58 -4.78 115.22 119.72 2aqr n HIS 122 Ca -0.10 0.62 0.15 0.00 -0.26 0.00 0.00 57.72 58.13 2aqr n HIS 122 Cb 0.60 -2.32 0.88 0.00 1.12 0.00 0.00 29.99 30.27 2aqr n HIS 122 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2aqr h LEU 123 N 3.52 0.00 -0.22 2.41 5.85 -1.87 -1.75 115.31 123.25 2aqr h LEU 123 Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2aqr h LEU 123 Cb 1.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.36 2aqr h LEU 123 CO 0.71 0.04 0.00 0.61 -0.34 0.00 0.00 178.44 179.46 2aqr n GLY 124 N -1.06 -0.75 3.59 3.75 0.00 -0.58 -4.81 105.19 105.33 2aqr n GLY 124 Ca -0.03 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 2aqr n GLY 124 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aqr s ASP 125 N -1.74 6.32 0.37 1.61 1.01 -0.66 -0.65 116.67 122.92 2aqr s ASP 125 Ca 0.35 0.53 0.07 0.00 0.71 0.00 0.00 52.55 54.22 2aqr s ASP 125 Cb 0.17 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.54 2aqr s ASP 125 CO 0.28 -1.50 0.44 -0.76 0.21 0.00 0.00 175.17 173.83 2aqr s LEU 126 N 5.47 3.72 0.63 1.23 1.43 -1.08 -3.96 118.68 126.12 2aqr s LEU 126 Ca 0.55 -0.40 -0.17 0.00 -1.03 0.00 0.00 54.13 53.07 2aqr s LEU 126 Cb -0.11 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.60 2aqr s LEU 126 CO 0.30 -0.53 1.18 -2.84 0.23 0.00 0.00 176.35 174.68 2aqr s PRO 127 N -4.17 2.79 0.57 1.29 0.02 -1.26 -4.65 135.00 129.59 2aqr s PRO 127 Ca 0.47 1.69 -0.20 0.00 0.02 0.00 0.00 61.00 62.98 2aqr s PRO 127 Cb -0.08 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.48 2aqr s PRO 127 CO 0.30 -1.32 1.27 0.00 -0.33 0.00 0.00 177.00 176.92 2aqr s ALA 128 N -1.86 2.65 -0.04 -1.55 0.00 -1.26 -4.55 121.76 115.15 2aqr s ALA 128 Ca 0.74 1.16 -0.19 0.00 0.00 0.00 0.00 51.96 53.67 2aqr s ALA 128 Cb -0.27 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.29 2aqr s ALA 128 CO 0.37 -1.28 0.52 -1.17 0.00 0.00 0.00 175.76 174.20 2aqr s LEU 129 N -3.84 4.39 -0.27 0.00 2.96 -0.41 -4.87 118.68 116.64 2aqr s LEU 129 Ca 0.75 1.02 -0.12 0.00 -0.22 0.00 0.00 54.13 55.56 2aqr s LEU 129 Cb -0.35 -2.79 -0.05 0.00 0.50 0.00 0.00 46.19 43.50 2aqr s LEU 129 CO 0.40 0.12 0.22 -0.89 -1.32 0.00 0.00 176.35 174.87 2aqr s THR 130 N -0.14 5.30 -0.22 3.68 2.01 -1.26 -0.82 115.64 124.20 2aqr s THR 130 Ca 0.28 0.25 -0.04 0.00 0.31 0.00 0.00 61.69 62.49 2aqr s THR 130 Cb -0.17 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 2aqr s THR 130 CO 0.14 0.26 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.62 2aqr s VAL 131 N 1.63 3.60 0.97 3.82 1.01 -0.25 -4.43 120.40 126.76 2aqr s VAL 131 Ca 0.09 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 2aqr s VAL 131 Cb -0.15 -2.64 0.17 0.00 0.00 0.00 0.00 36.38 33.76 2aqr s VAL 131 CO 0.09 0.42 1.14 -0.76 0.00 0.00 0.00 175.10 175.99 2aqr s LEU 132 N 1.35 1.81 0.36 3.92 1.43 -0.13 -0.92 118.68 126.50 2aqr s LEU 132 Ca 0.04 0.88 0.12 0.00 -1.03 0.00 0.00 54.13 54.15 2aqr s LEU 132 Cb -0.14 -3.07 0.92 0.00 0.03 0.00 0.00 46.19 43.93 2aqr s LEU 132 CO -0.01 -2.90 1.82 -0.74 0.23 0.00 0.00 176.35 174.74 2aqr h HIS 133 N -1.74 0.79 0.00 0.29 -0.00 -1.97 0.15 115.15 112.68 2aqr h HIS 133 Ca -0.50 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 2aqr h HIS 133 Cb 1.32 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 28.49 2aqr h HIS 133 CO -0.19 0.19 0.00 -0.40 -0.00 0.00 0.00 177.93 177.53 2aqr n ASP 134 N -4.62 0.00 -0.00 3.26 3.85 -1.26 -4.79 116.55 112.98 2aqr n ASP 134 Ca 0.21 -1.32 -0.00 0.00 -0.71 0.00 0.00 54.79 52.97 2aqr n ASP 134 Cb 0.64 0.00 -0.00 0.00 -1.35 0.00 0.00 41.12 40.41 2aqr n ASP 134 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2aqr n GLY 135 N 0.53 0.48 3.83 6.12 0.00 0.52 -4.71 105.19 111.96 2aqr n GLY 135 Ca 0.10 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2aqr n GLY 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aqr s THR 136 N -1.97 4.65 -0.09 2.61 -4.23 -1.26 -1.96 115.64 113.39 2aqr s THR 136 Ca 0.00 -1.05 -0.02 0.00 -1.18 0.00 0.00 61.69 59.44 2aqr s THR 136 Cb 0.00 -3.40 0.03 0.00 1.34 0.00 0.00 72.50 70.48 2aqr s THR 136 CO 0.00 -0.14 0.03 0.00 -0.54 0.00 0.00 174.62 173.96 2aqr s ALA 137 N -1.81 0.59 0.00 3.99 0.00 -0.51 -0.96 121.76 123.07 2aqr s ALA 137 Ca 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.15 2aqr s ALA 137 Cb -0.10 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.23 2aqr s ALA 137 CO 0.25 -0.61 0.16 0.25 0.00 0.00 0.00 175.76 175.81 2aqr n THR 138 N 5.19 0.02 -2.70 0.00 -2.24 -1.26 -1.48 114.28 111.81 2aqr n THR 138 Ca -0.06 -0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.24 2aqr n THR 138 Cb 0.50 1.68 -0.03 0.00 -2.10 0.00 0.00 70.33 70.38 2aqr n THR 138 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2aqr s ASN 139 N -0.02 6.85 0.65 3.42 3.04 -1.26 -4.58 114.94 123.04 2aqr s ASN 139 Ca 0.00 0.90 -0.15 0.00 0.04 0.00 0.00 52.86 53.65 2aqr s ASN 139 Cb 0.00 -2.52 -0.01 0.00 -1.54 0.00 0.00 41.25 37.19 2aqr s ASN 139 CO 0.00 -0.86 1.10 -2.16 -3.04 0.00 0.00 177.10 172.14 2aqr s PRO 140 N 3.58 2.88 0.05 0.43 0.04 -1.26 -4.55 135.00 136.17 2aqr s PRO 140 Ca 0.43 1.36 0.01 0.00 0.04 0.00 0.00 61.00 62.84 2aqr s PRO 140 Cb -0.12 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2aqr s PRO 140 CO 0.16 -1.18 -0.06 0.14 0.04 0.00 0.00 177.00 176.10 2aqr s VAL 141 N -2.36 0.44 -0.08 -0.36 -7.23 -0.51 -4.97 120.40 105.32 2aqr s VAL 141 Ca 0.66 -1.25 -0.01 0.00 -1.81 0.00 0.00 61.98 59.57 2aqr s VAL 141 Cb -0.20 -0.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.92 2aqr s VAL 141 CO 0.41 -0.55 -0.02 -0.22 -0.31 0.00 0.00 175.10 174.41 2aqr s LEU 142 N -1.93 3.45 -0.64 1.32 2.96 -1.26 -0.78 118.68 121.80 2aqr s LEU 142 Ca -0.06 0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 53.93 2aqr s LEU 142 Cb -0.06 -1.78 0.16 0.00 0.50 0.00 0.00 46.19 45.02 2aqr s LEU 142 CO -0.02 0.37 0.44 0.00 -1.32 0.00 0.00 176.35 175.82 2aqr s ALA 143 N -0.81 3.61 0.55 5.97 0.00 -0.11 -4.55 121.76 126.42 2aqr s ALA 143 Ca 0.12 -3.37 0.25 0.00 0.00 0.00 0.00 51.96 48.97 2aqr s ALA 143 Cb -0.11 -2.54 1.48 0.00 0.00 0.00 0.00 23.12 21.94 2aqr s ALA 143 CO 0.02 -2.10 2.05 -1.00 0.00 0.00 0.00 175.76 174.73 2aqr h PRO 144 N 6.69 0.00 -0.00 0.00 0.13 -1.79 -2.20 132.00 134.82 2aqr h PRO 144 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2aqr h PRO 144 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2aqr h PRO 144 CO 0.72 0.00 -0.07 0.54 -0.23 0.00 0.00 178.00 178.96 2aqr n ARG 145 N -4.15 0.68 -3.96 0.86 1.74 -1.26 -4.56 116.66 106.01 2aqr n ARG 145 Ca 0.05 -0.16 -0.35 0.00 -0.77 0.00 0.00 57.85 56.61 2aqr n ARG 145 Cb 0.43 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.25 2aqr n ARG 145 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2aqr s LEU 146 N -2.44 3.26 -0.15 0.55 1.43 -0.84 -5.01 118.68 115.49 2aqr s LEU 146 Ca 0.31 -0.23 0.11 0.00 -1.03 0.00 0.00 54.13 53.29 2aqr s LEU 146 Cb 0.20 -1.84 -0.16 0.00 0.03 0.00 0.00 46.19 44.42 2aqr s LEU 146 CO 0.46 0.03 0.01 0.29 0.23 0.00 0.00 176.35 177.37 2aqr n LYS 147 N 4.51 1.50 -4.36 1.70 4.76 -1.26 -0.88 118.16 124.12 2aqr n LYS 147 Ca -0.17 0.01 -0.24 0.00 -2.87 0.00 0.00 58.31 55.04 2aqr n LYS 147 Cb 0.52 -1.36 -0.13 0.00 -1.84 0.00 0.00 35.03 32.22 2aqr n LYS 147 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2aqr s HIS 148 N -2.34 1.78 0.25 2.13 3.76 -1.26 -4.70 115.29 114.91 2aqr s HIS 148 Ca -0.10 -0.41 -0.04 0.00 -0.15 0.00 0.00 55.06 54.37 2aqr s HIS 148 Cb 0.04 -0.99 0.37 0.00 1.11 0.00 0.00 32.58 33.11 2aqr s HIS 148 CO 0.55 0.18 1.87 -0.07 -0.85 0.00 0.00 174.74 176.41 2aqr h LEU 149 N 4.27 0.96 -2.60 0.89 3.38 -1.96 -1.51 115.31 118.74 2aqr h LEU 149 Ca -0.45 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2aqr h LEU 149 Cb 1.18 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 2aqr h LEU 149 CO 0.41 0.62 0.02 0.44 0.09 0.00 0.00 178.44 180.01 2aqr h ASP 150 N 1.10 0.00 -0.96 -0.43 3.32 -1.96 -2.33 116.42 115.16 2aqr h ASP 150 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 2aqr h ASP 150 Cb 0.15 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 2aqr h ASP 150 CO -0.17 0.00 0.60 0.44 -1.72 0.00 0.00 179.24 178.40 2aqr h ASP 151 N 0.00 1.14 0.41 6.45 3.45 -1.69 -3.03 116.42 123.15 2aqr h ASP 151 Ca 0.01 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.41 2aqr h ASP 151 Cb 0.05 -0.29 0.00 0.00 -0.56 0.00 0.00 39.33 38.53 2aqr h ASP 151 CO -0.00 0.85 -0.58 1.33 -1.57 0.00 0.00 179.24 179.28 2aqr n VAL 152 N -4.36 0.00 -2.01 -1.35 0.24 -0.88 -4.92 118.33 105.04 2aqr n VAL 152 Ca 0.11 -0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 62.01 2aqr n VAL 152 Cb 0.04 0.38 -0.01 0.00 -1.47 0.00 0.00 33.84 32.78 2aqr n VAL 152 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2aqr s ARG 153 N -2.99 4.09 0.00 7.34 0.52 -1.15 -2.82 118.95 123.95 2aqr s ARG 153 Ca 0.11 2.27 0.00 0.00 -0.52 0.00 0.00 55.73 57.59 2aqr s ARG 153 Cb 0.17 -2.89 0.00 0.00 0.52 0.00 0.00 34.95 32.76 2aqr s ARG 153 CO 0.72 -0.43 0.00 0.41 0.02 0.00 0.00 175.30 176.02 2aqr n GLY 154 N 0.66 0.73 0.32 -3.53 0.00 -0.29 -5.00 105.19 98.08 2aqr n GLY 154 Ca 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 2aqr n GLY 154 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2aqr n HIS 155 N -2.50 -0.00 -4.24 1.61 8.25 -1.13 -3.66 115.22 113.55 2aqr n HIS 155 Ca 0.00 -0.26 -0.15 0.00 -0.26 0.00 0.00 57.72 57.05 2aqr n HIS 155 Cb 0.00 0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 2aqr n HIS 155 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2aqr s SER 156 N -1.24 1.82 -0.13 0.41 1.04 -0.91 -0.95 113.70 113.73 2aqr s SER 156 Ca 0.02 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.54 2aqr s SER 156 Cb 0.00 -0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.08 2aqr s SER 156 CO 0.02 -0.26 -0.14 -0.51 0.98 0.00 0.00 173.24 173.33 2aqr s ILE 157 N -2.80 2.88 -0.03 -1.02 2.07 0.10 -0.02 121.20 122.38 2aqr s ILE 157 Ca 0.13 -0.72 0.06 0.00 -1.41 0.00 0.00 60.65 58.71 2aqr s ILE 157 Cb -0.01 -2.20 -0.02 0.00 0.13 0.00 0.00 42.46 40.36 2aqr s ILE 157 CO 0.01 0.52 -0.21 -0.32 -1.91 0.00 0.00 174.94 173.03 2aqr s MET 158 N 0.47 2.25 -0.13 3.50 -2.45 0.70 -1.37 119.30 122.25 2aqr s MET 158 Ca -0.10 -0.85 0.03 0.00 -1.25 0.00 0.00 55.69 53.51 2aqr s MET 158 Cb -0.16 -2.17 0.01 0.00 1.25 0.00 0.00 34.83 33.76 2aqr s MET 158 CO 0.05 0.58 -0.22 0.42 1.05 0.00 0.00 175.02 176.90 2aqr s ILE 159 N -0.67 2.12 0.39 10.11 1.01 0.34 -1.88 121.20 132.63 2aqr s ILE 159 Ca 0.11 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.82 2aqr s ILE 159 Cb -0.10 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 2aqr s ILE 159 CO -0.00 0.55 0.57 -1.00 0.00 0.00 0.00 174.94 175.06 2aqr s HIS 160 N 0.74 3.18 0.15 3.97 3.76 0.06 -1.03 115.29 126.12 2aqr s HIS 160 Ca -0.09 0.02 -0.01 0.00 -0.15 0.00 0.00 55.06 54.83 2aqr s HIS 160 Cb -0.16 -2.15 -0.04 0.00 1.11 0.00 0.00 32.58 31.34 2aqr s HIS 160 CO -0.00 -0.18 1.35 0.00 -0.85 0.00 0.00 174.74 175.06 2aqr h THR 161 N 0.64 1.43 -4.80 1.30 1.03 -1.24 -3.37 112.91 107.90 2aqr h THR 161 Ca -0.46 -2.46 -0.41 0.00 -0.01 0.00 0.00 66.41 63.06 2aqr h THR 161 Cb 1.25 2.39 0.10 0.00 -1.07 0.00 0.00 68.15 70.83 2aqr h THR 161 CO 0.55 0.73 0.20 0.61 -0.01 0.00 0.00 175.52 177.60 2aqr n GLY 162 N 0.87 -0.05 0.00 2.99 0.00 0.62 -4.89 105.19 104.73 2aqr n GLY 162 Ca -0.05 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.05 2aqr n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqr n GLY 163 N -2.31 1.36 3.05 -0.02 0.00 -1.23 -0.67 105.19 105.38 2aqr n GLY 163 Ca 0.15 -1.65 -0.01 0.00 0.00 0.00 0.00 46.02 44.50 2aqr n GLY 163 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aqr s ASP 164 N -1.00 -0.73 -0.07 1.61 -1.08 -1.24 -2.96 116.67 111.20 2aqr s ASP 164 Ca 0.00 0.53 0.15 0.00 -0.52 0.00 0.00 52.55 52.71 2aqr s ASP 164 Cb 0.00 1.73 0.56 0.00 -1.46 0.00 0.00 42.92 43.75 2aqr s ASP 164 CO 0.00 -0.28 1.44 -0.46 0.52 0.00 0.00 175.17 176.39 2aqr n ASN 165 N 5.40 3.68 -3.95 -0.34 6.94 -0.77 -4.90 115.26 121.33 2aqr n ASN 165 Ca -0.01 -2.27 -0.29 0.00 -0.02 0.00 0.00 54.58 51.98 2aqr n ASN 165 Cb 0.51 -0.48 0.01 0.00 -2.36 0.00 0.00 39.78 37.45 2aqr n ASN 165 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2aqr n HIS 166 N 0.92 -2.00 -3.65 -2.53 8.25 -1.26 -4.96 115.22 109.98 2aqr n HIS 166 Ca 0.20 0.84 -0.10 0.00 -0.26 0.00 0.00 57.72 58.40 2aqr n HIS 166 Cb 0.68 -3.80 -0.03 0.00 1.12 0.00 0.00 29.99 27.96 2aqr n HIS 166 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2aqr s SER 167 N -3.68 -0.33 0.00 0.41 0.15 -1.26 -3.97 113.70 105.02 2aqr s SER 167 Ca 0.45 -0.35 0.21 0.00 0.70 0.00 0.00 55.95 56.96 2aqr s SER 167 Cb -0.23 0.57 0.55 0.00 -1.71 0.00 0.00 66.02 65.20 2aqr s SER 167 CO 0.86 -1.01 1.47 0.47 1.20 0.00 0.00 173.24 176.22 2aqr n ASP 168 N -0.34 3.38 -4.12 5.45 8.00 -1.26 -0.49 116.55 127.16 2aqr n ASP 168 Ca -0.12 -1.98 -0.27 0.00 0.71 0.00 0.00 54.79 53.13 2aqr n ASP 168 Cb 0.63 -0.36 -0.16 0.00 -0.02 0.00 0.00 41.12 41.20 2aqr n ASP 168 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2aqr s HIS 169 N -1.28 1.86 -0.40 1.24 2.46 -1.26 -3.83 115.29 114.08 2aqr s HIS 169 Ca 0.42 -0.65 0.23 0.00 0.47 0.00 0.00 55.06 55.53 2aqr s HIS 169 Cb 0.22 -1.28 0.26 0.00 -0.13 0.00 0.00 32.58 31.66 2aqr s HIS 169 CO 0.30 -0.26 1.45 -1.00 -2.47 0.00 0.00 174.74 172.76 2aqr h PRO 170 N 6.59 0.00 -6.23 2.88 0.13 -1.98 -3.49 132.00 129.91 2aqr h PRO 170 Ca -0.29 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.19 2aqr h PRO 170 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 2aqr h PRO 170 CO 0.47 0.00 -0.64 0.00 -0.23 0.00 0.00 178.00 177.60 2aqr s ALA 171 N -3.25 3.33 0.63 -0.56 0.00 -1.25 -5.09 121.76 115.58 2aqr s ALA 171 Ca 0.05 -1.02 -0.18 0.00 0.00 0.00 0.00 51.96 50.82 2aqr s ALA 171 Cb 0.07 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 2aqr s ALA 171 CO 0.70 0.68 1.20 -1.25 0.00 0.00 0.00 175.76 177.10 2aqr s PRO 172 N -1.95 2.77 -1.51 0.00 0.04 -1.25 -3.56 135.00 129.54 2aqr s PRO 172 Ca 0.23 1.78 -0.12 0.00 0.04 0.00 0.00 61.00 62.93 2aqr s PRO 172 Cb -0.12 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.59 2aqr s PRO 172 CO 0.15 -1.35 0.91 1.28 0.04 0.00 0.00 177.00 178.03 2aqr n LEU 173 N -1.91 -2.55 0.00 -3.56 4.77 -1.26 -1.68 117.00 110.81 2aqr n LEU 173 Ca 0.13 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 2aqr n LEU 173 Cb 0.50 -2.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.07 2aqr n LEU 173 CO 0.45 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 2aqr n GLY 174 N -1.67 0.62 1.73 -0.72 0.00 0.35 -3.12 105.19 102.38 2aqr n GLY 174 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2aqr n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqr n GLY 175 N -1.95 0.48 0.28 -0.02 0.00 -0.68 -1.84 105.19 101.46 2aqr n GLY 175 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2aqr n GLY 175 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2aqr h GLY 176 N 0.00 0.58 0.00 -0.02 0.00 -1.47 -3.32 103.07 98.85 2aqr h GLY 176 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2aqr h GLY 176 CO 0.00 0.31 0.00 0.61 0.00 0.00 0.00 176.54 177.46 2aqr n GLY 177 N -0.95 1.58 3.52 4.60 0.00 -1.26 -0.28 105.19 112.40 2aqr n GLY 177 Ca 0.02 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 2aqr n GLY 177 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2aqr n PRO 178 N 6.66 0.59 -3.02 1.61 -0.02 -1.26 -4.74 135.00 134.82 2aqr n PRO 178 Ca 0.00 0.23 -0.42 0.00 -2.02 0.00 0.00 63.50 61.29 2aqr n PRO 178 Cb 0.00 -1.87 -0.06 0.00 -0.02 0.00 0.00 33.50 31.55 2aqr n PRO 178 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2aqr s ARG 179 N -2.41 3.56 -0.12 -0.52 0.52 -1.26 -1.45 118.95 117.26 2aqr s ARG 179 Ca 0.71 0.02 -0.12 0.00 -0.52 0.00 0.00 55.73 55.82 2aqr s ARG 179 Cb -0.42 -3.87 -0.26 0.00 0.52 0.00 0.00 34.95 30.92 2aqr s ARG 179 CO 0.52 -0.93 0.43 1.98 0.02 0.00 0.00 175.30 177.33 2aqr h MET 180 N 8.69 0.24 -3.98 3.54 1.85 -1.35 -3.44 114.93 120.49 2aqr h MET 180 Ca -0.25 -0.42 -0.12 0.00 -0.61 0.00 0.00 59.70 58.31 2aqr h MET 180 Cb 1.10 0.16 -0.16 0.00 0.43 0.00 0.00 31.60 33.12 2aqr h MET 180 CO 0.91 1.20 -0.56 0.00 -0.40 0.00 0.00 176.91 178.06 2aqr s ALA 181 N -2.51 0.13 0.01 0.39 0.00 -0.43 -0.95 121.76 118.39 2aqr s ALA 181 Ca -0.22 -0.82 -0.28 0.00 0.00 0.00 0.00 51.96 50.64 2aqr s ALA 181 Cb 0.06 0.31 0.08 0.00 0.00 0.00 0.00 23.12 23.57 2aqr s ALA 181 CO 0.76 -0.38 0.74 0.00 0.00 0.00 0.00 175.76 176.88 2aqr s GLY 183 N -1.91 -0.06 -0.12 0.00 0.00 -0.47 -1.49 107.32 103.26 2aqr s GLY 183 Ca -0.03 0.18 -0.17 0.00 0.00 0.00 0.00 44.72 44.71 2aqr s GLY 183 CO -0.02 0.04 0.42 0.14 0.00 0.00 0.00 173.10 173.68 2aqr s VAL 184 N -0.99 5.21 -0.34 1.40 1.01 -1.26 -0.72 120.40 124.72 2aqr s VAL 184 Ca -0.11 0.83 -0.19 0.00 0.00 0.00 0.00 61.98 62.52 2aqr s VAL 184 Cb -0.05 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 2aqr s VAL 184 CO 0.02 0.36 0.54 -0.63 0.00 0.00 0.00 175.10 175.39 2aqr s ILE 185 N 0.46 5.00 -2.58 2.22 1.01 -0.13 -4.67 121.20 122.52 2aqr s ILE 185 Ca 0.23 0.48 0.21 0.00 0.00 0.00 0.00 60.65 61.56 2aqr s ILE 185 Cb -0.15 -3.97 0.16 0.00 0.01 0.00 0.00 42.46 38.52 2aqr s ILE 185 CO 0.09 -0.19 1.15 0.29 0.00 0.00 0.00 174.94 176.28