#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 -0.19 -0.09 0.00 0.15 -1.26 -4.35 113.70 107.96 2aqr s SER 33 Ca 0.00 0.36 -0.01 0.00 0.70 0.00 0.00 55.95 57.01 2aqr s SER 33 Cb 0.00 0.47 0.03 0.00 -1.71 0.00 0.00 66.02 64.81 2aqr s SER 33 CO 0.00 -0.06 -0.05 -0.63 1.20 0.00 0.00 173.24 173.70 2aqr s ILE 34 N 0.25 0.75 -0.36 6.45 1.01 -0.24 -4.98 121.20 124.09 2aqr s ILE 34 Ca 0.04 -0.13 -0.14 0.00 0.00 0.00 0.00 60.65 60.42 2aqr s ILE 34 Cb -0.05 -0.82 -0.01 0.00 0.01 0.00 0.00 42.46 41.60 2aqr s ILE 34 CO -0.12 0.32 0.29 -0.70 0.00 0.00 0.00 174.94 174.72 2aqr s GLU 35 N 1.72 3.39 -0.25 2.79 2.12 -1.26 -0.31 118.70 126.90 2aqr s GLU 35 Ca 0.03 -0.68 -0.12 0.00 0.36 0.00 0.00 54.97 54.57 2aqr s GLU 35 Cb -0.13 -3.85 -0.05 0.00 0.26 0.00 0.00 34.13 30.37 2aqr s GLU 35 CO -0.06 -0.54 0.23 0.08 -0.54 0.00 0.00 175.26 174.43 2aqr s VAL 36 N 1.80 5.30 -0.11 3.70 1.01 0.31 -4.94 120.40 127.47 2aqr s VAL 36 Ca 0.07 0.32 -0.30 0.00 0.00 0.00 0.00 61.98 62.07 2aqr s VAL 36 Cb -0.18 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 2aqr s VAL 36 CO 0.11 0.28 1.06 -0.75 0.00 0.00 0.00 175.10 175.80 2aqr s LYS 37 N 1.38 4.38 -0.09 2.72 2.20 -1.26 -1.07 119.74 128.00 2aqr s LYS 37 Ca 0.10 1.46 0.00 0.00 -0.36 0.00 0.00 55.97 57.17 2aqr s LYS 37 Cb -0.15 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 2aqr s LYS 37 CO 0.07 -0.40 -0.09 0.08 -0.36 0.00 0.00 175.35 174.65 2aqr s VAL 38 N 2.26 3.46 0.04 4.02 1.01 -0.17 -4.30 120.40 126.72 2aqr s VAL 38 Ca 0.50 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 62.00 2aqr s VAL 38 Cb -0.19 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 2aqr s VAL 38 CO 0.17 0.56 -0.22 -1.10 0.00 0.00 0.00 175.10 174.51 2aqr s GLN 39 N -0.36 1.52 0.14 2.72 -0.21 -0.51 -1.58 119.66 121.37 2aqr s GLN 39 Ca 0.05 -0.96 -0.30 0.00 0.02 0.00 0.00 55.36 54.16 2aqr s GLN 39 Cb -0.12 -1.63 -0.07 0.00 1.00 0.00 0.00 33.01 32.19 2aqr s GLN 39 CO 0.02 0.42 1.11 -1.14 -2.12 0.00 0.00 175.29 173.58 2aqr s GLN 40 N -1.13 4.56 -0.07 2.91 0.74 0.15 -1.30 119.66 125.51 2aqr s GLN 40 Ca 0.09 1.70 -0.20 0.00 0.05 0.00 0.00 55.36 56.99 2aqr s GLN 40 Cb -0.09 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 30.67 2aqr s GLN 40 CO 0.02 -0.00 0.54 -0.51 -0.55 0.00 0.00 175.29 174.79 2aqr s LEU 41 N 0.06 4.33 -0.39 3.68 1.43 0.26 -2.02 118.68 126.04 2aqr s LEU 41 Ca 0.51 0.98 0.06 0.00 -1.03 0.00 0.00 54.13 54.65 2aqr s LEU 41 Cb -0.28 -2.82 0.17 0.00 0.03 0.00 0.00 46.19 43.29 2aqr s LEU 41 CO 0.33 0.02 0.51 -0.62 0.23 0.00 0.00 176.35 176.82 2aqr s ASP 42 N 0.35 -0.28 0.59 2.29 -1.08 -1.26 -4.94 116.67 112.34 2aqr s ASP 42 Ca 0.29 -1.10 0.34 0.00 -0.52 0.00 0.00 52.55 51.56 2aqr s ASP 42 Cb -0.16 1.32 1.84 0.00 -1.46 0.00 0.00 42.92 44.45 2aqr s ASP 42 CO 0.14 -0.22 2.03 -0.65 0.52 0.00 0.00 175.17 176.98 2aqr h PRO 43 N 7.09 0.00 0.00 4.34 0.11 -1.90 0.27 132.00 141.90 2aqr h PRO 43 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2aqr h PRO 43 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2aqr h PRO 43 CO 0.15 0.00 -0.25 0.28 -0.21 0.00 0.00 178.00 177.97 2aqr n VAL 44 N -2.81 0.40 0.24 3.15 0.31 -1.26 -4.66 118.33 113.70 2aqr n VAL 44 Ca -0.02 0.41 0.12 0.00 -0.01 0.00 0.00 64.34 64.84 2aqr n VAL 44 Cb 0.20 -1.73 0.48 0.00 -0.91 0.00 0.00 33.84 31.88 2aqr n VAL 44 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2aqr h ASN 45 N -0.27 0.00 -4.75 4.52 -0.26 -2.00 -3.49 115.58 109.33 2aqr h ASN 45 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2aqr h ASN 45 Cb 0.25 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.51 2aqr h ASN 45 CO 0.00 0.13 0.00 0.61 -1.06 0.00 0.00 177.43 177.11 2aqr n GLY 46 N 0.27 2.88 3.81 2.83 0.00 0.08 -5.08 105.19 109.98 2aqr n GLY 46 Ca 0.01 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 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 4.71 -0.05 1.61 0.01 -1.24 -4.28 114.94 115.70 2aqr s ASN 47 Ca 0.00 1.41 -0.04 0.00 -0.71 0.00 0.00 52.86 53.52 2aqr s ASN 47 Cb 0.00 -2.18 0.01 0.00 0.41 0.00 0.00 41.25 39.49 2aqr s ASN 47 CO 0.00 -1.85 0.12 -0.54 -1.51 0.00 0.00 177.10 173.32 2aqr s LYS 48 N -5.11 0.13 0.17 -0.60 1.02 -0.85 -4.95 119.74 109.54 2aqr s LYS 48 Ca 0.60 0.18 -0.31 0.00 0.02 0.00 0.00 55.97 56.46 2aqr s LYS 48 Cb -0.14 0.03 -0.10 0.00 -0.52 0.00 0.00 37.83 37.10 2aqr s LYS 48 CO 0.55 -0.03 1.54 -0.51 -0.92 0.00 0.00 175.35 175.97 2aqr s ASP 49 N 0.20 6.62 0.00 2.83 1.01 -1.26 0.31 116.67 126.37 2aqr s ASP 49 Ca -0.01 2.59 0.01 0.00 0.71 0.00 0.00 52.55 55.85 2aqr s ASP 49 Cb -0.02 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.32 2aqr s ASP 49 CO -0.01 -0.80 0.55 1.33 0.21 0.00 0.00 175.17 176.45 2aqr n VAL 50 N 3.83 0.03 0.00 -1.27 0.24 -0.61 -4.84 118.33 115.71 2aqr n VAL 50 Ca 0.13 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 2aqr n VAL 50 Cb 0.39 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.77 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 0.04 0.54 3.15 7.63 0.00 -1.20 -0.65 105.19 114.71 2aqr n GLY 51 Ca 0.01 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.09 0.13 -0.10 2.61 -4.23 -0.83 -1.00 115.64 110.13 2aqr s THR 52 Ca 0.00 -1.91 -0.01 0.00 -1.18 0.00 0.00 61.69 58.59 2aqr s THR 52 Cb 0.00 -2.03 0.03 0.00 1.34 0.00 0.00 72.50 71.84 2aqr s THR 52 CO 0.00 -0.48 -0.04 -0.69 -0.54 0.00 0.00 174.62 172.87 2aqr s VAL 53 N -4.02 0.75 -0.22 2.29 1.01 -0.23 -1.15 120.40 118.83 2aqr s VAL 53 Ca 0.23 -0.15 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 2aqr s VAL 53 Cb 0.07 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 2aqr s VAL 53 CO 0.01 0.29 0.15 -0.89 0.00 0.00 0.00 175.10 174.66 2aqr s THR 54 N 1.82 5.38 -0.19 3.92 2.01 0.52 -0.53 115.64 128.56 2aqr s THR 54 Ca 0.05 0.20 -0.06 0.00 0.31 0.00 0.00 61.69 62.19 2aqr s THR 54 Cb -0.13 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 2aqr s THR 54 CO -0.07 0.40 0.03 -0.63 -0.69 0.00 0.00 174.62 173.66 2aqr s ILE 55 N 0.66 4.31 0.16 1.82 1.01 0.58 -0.28 121.20 129.46 2aqr s ILE 55 Ca 0.08 -0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.57 2aqr s ILE 55 Cb -0.12 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 2aqr s ILE 55 CO 0.01 0.43 -0.06 0.42 0.00 0.00 0.00 174.94 175.75 2aqr s THR 56 N 0.78 0.96 -0.12 2.92 -4.23 -0.45 -1.08 115.64 114.41 2aqr s THR 56 Ca 0.02 -2.02 -0.10 0.00 -1.18 0.00 0.00 61.69 58.41 2aqr s THR 56 Cb -0.14 -1.96 -0.05 0.00 1.34 0.00 0.00 72.50 71.69 2aqr s THR 56 CO 0.02 -0.64 0.21 -1.61 -0.54 0.00 0.00 174.62 172.06 2aqr s GLU 57 N -3.82 3.80 0.40 3.99 2.02 -1.26 -0.38 118.70 123.45 2aqr s GLU 57 Ca 0.19 -0.02 0.05 0.00 0.02 0.00 0.00 54.97 55.21 2aqr s GLU 57 Cb 0.04 -3.28 -0.06 0.00 0.10 0.00 0.00 34.13 30.93 2aqr s GLU 57 CO 0.02 0.58 0.03 -1.54 0.02 0.00 0.00 175.26 174.37 2aqr s SER 58 N -0.52 3.46 0.00 -0.19 1.04 -0.61 -4.92 113.70 111.95 2aqr s SER 58 Ca 0.15 -1.44 0.14 0.00 0.48 0.00 0.00 55.95 55.28 2aqr s SER 58 Cb -0.13 -0.11 0.63 0.00 0.10 0.00 0.00 66.02 66.51 2aqr s SER 58 CO 0.04 -0.59 1.40 0.59 0.98 0.00 0.00 173.24 175.67 2aqr n ASN 59 N -0.97 0.00 -0.10 7.02 3.02 -1.26 -2.64 115.26 120.34 2aqr n ASN 59 Ca -0.07 0.31 0.01 0.00 -0.03 0.00 0.00 54.58 54.81 2aqr n ASN 59 Cb 0.67 -0.40 0.02 0.00 -0.61 0.00 0.00 39.78 39.46 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 -1.40 0.06 0.00 3.10 4.01 -1.26 -5.11 117.16 116.56 2aqr n TYR 60 Ca 0.05 -0.42 0.00 0.00 -0.16 0.00 0.00 57.90 57.37 2aqr n TYR 60 Cb 0.14 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 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 -0.26 0.95 3.74 2.72 0.00 -1.08 -4.20 105.19 107.06 2aqr n GLY 61 Ca 0.02 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 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 4.47 -0.17 0.99 1.43 0.44 -1.57 118.68 124.27 2aqr s LEU 62 Ca 0.00 2.20 -0.05 0.00 -1.03 0.00 0.00 54.13 55.26 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 -0.32 -0.01 -0.69 0.23 0.00 0.00 176.35 175.56 2aqr s VAL 63 N -0.20 4.03 -0.33 -1.59 1.01 0.48 -0.76 120.40 123.04 2aqr s VAL 63 Ca 0.51 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 62.11 2aqr s VAL 63 Cb -0.32 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.30 2aqr s VAL 63 CO 0.37 0.47 0.12 -0.36 0.00 0.00 0.00 175.10 175.70 2aqr s PHE 64 N 0.51 3.21 -0.34 5.22 0.40 0.13 -1.34 117.98 125.77 2aqr s PHE 64 Ca -0.02 -1.12 -0.07 0.00 -0.60 0.00 0.00 56.93 55.12 2aqr s PHE 64 Cb -0.14 -2.30 0.03 0.00 0.51 0.00 0.00 43.02 41.12 2aqr s PHE 64 CO 0.02 -0.64 0.12 0.99 0.70 0.00 0.00 175.22 176.41 2aqr s THR 65 N 1.48 3.93 0.47 0.64 2.01 0.62 -1.44 115.64 123.35 2aqr s THR 65 Ca 0.01 -1.04 -0.08 0.00 0.31 0.00 0.00 61.69 60.89 2aqr s THR 65 Cb -0.18 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.08 2aqr s THR 65 CO 0.04 -0.16 0.81 -2.16 -0.69 0.00 0.00 174.62 172.45 2aqr s PRO 66 N 1.44 3.62 -0.46 4.92 0.04 -1.26 -0.36 135.00 142.94 2aqr s PRO 66 Ca -0.01 0.35 0.07 0.00 0.04 0.00 0.00 61.00 61.44 2aqr s PRO 66 Cb -0.19 -2.35 0.23 0.00 0.04 0.00 0.00 34.50 32.23 2aqr s PRO 66 CO 0.03 -0.19 0.69 -3.47 0.04 0.00 0.00 177.00 174.10 2aqr n ASP 67 N -2.01 -1.83 -4.51 6.66 4.64 -0.30 -4.08 116.55 115.13 2aqr n ASP 67 Ca 0.02 -2.95 -0.25 0.00 -1.38 0.00 0.00 54.79 50.23 2aqr n ASP 67 Cb 0.55 0.82 -0.10 0.00 -1.04 0.00 0.00 41.12 41.35 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 -0.46 2.72 0.19 -2.67 1.43 -0.59 -1.97 118.68 117.33 2aqr s LEU 68 Ca 0.33 -0.85 -0.09 0.00 -1.03 0.00 0.00 54.13 52.50 2aqr s LEU 68 Cb 0.15 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 2aqr s LEU 68 CO -0.17 0.06 0.30 0.00 0.23 0.00 0.00 176.35 176.78 2aqr s GLN 69 N -3.21 1.24 -0.87 1.70 -2.07 0.18 -1.50 119.66 115.14 2aqr s GLN 69 Ca 0.27 -1.25 0.00 0.00 -1.82 0.00 0.00 55.36 52.56 2aqr s GLN 69 Cb -0.07 0.38 0.00 0.00 -1.09 0.00 0.00 33.01 32.23 2aqr s GLN 69 CO 0.15 -0.46 0.00 0.41 -1.32 0.00 0.00 175.29 174.06 2aqr n GLY 70 N -0.26 0.99 3.97 2.60 0.00 -0.85 -4.73 105.19 106.92 2aqr n GLY 70 Ca -0.05 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.87 4.19 0.28 0.99 1.43 -0.83 -5.07 118.68 117.80 2aqr s LEU 71 Ca 0.00 0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 52.87 2aqr s LEU 71 Cb 0.00 -2.89 -0.09 0.00 0.03 0.00 0.00 46.19 43.23 2aqr s LEU 71 CO 0.00 -0.20 1.06 -0.94 0.23 0.00 0.00 176.35 176.50 2aqr s SER 72 N -4.04 7.29 0.34 2.29 1.04 -1.26 -4.24 113.70 115.12 2aqr s SER 72 Ca 0.38 2.18 -0.29 0.00 0.48 0.00 0.00 55.95 58.70 2aqr s SER 72 Cb -0.09 -2.62 -0.11 0.00 0.10 0.00 0.00 66.02 63.29 2aqr s SER 72 CO 0.31 -0.12 1.50 1.21 0.98 0.00 0.00 173.24 177.12 2aqr n GLU 73 N 1.12 2.60 0.00 4.02 2.13 -1.26 -4.75 120.64 124.50 2aqr n GLU 73 Ca -0.01 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.73 2aqr n GLU 73 Cb 0.46 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.52 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 1.15 0.68 3.79 8.31 0.00 -0.22 -4.98 105.19 113.92 2aqr n GLY 74 Ca 0.05 -2.17 -0.38 0.00 0.00 0.00 0.00 46.02 43.52 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 4.42 -0.02 0.99 1.43 -1.26 -1.07 118.68 123.17 2aqr s LEU 75 Ca 0.00 1.00 0.05 0.00 -1.03 0.00 0.00 54.13 54.16 2aqr s LEU 75 Cb 0.00 -2.72 -0.01 0.00 0.03 0.00 0.00 46.19 43.48 2aqr s LEU 75 CO 0.00 0.19 -0.18 -1.00 0.23 0.00 0.00 176.35 175.59 2aqr s HIS 76 N -0.46 1.67 0.31 0.29 3.76 0.04 -3.71 115.29 117.19 2aqr s HIS 76 Ca 0.26 -0.35 -0.29 0.00 -0.15 0.00 0.00 55.06 54.53 2aqr s HIS 76 Cb -0.17 -1.08 -0.12 0.00 1.11 0.00 0.00 32.58 32.31 2aqr s HIS 76 CO 0.14 -0.06 1.37 0.41 -0.85 0.00 0.00 174.74 175.75 2aqr n GLY 77 N 2.73 0.76 2.65 -2.22 0.00 -0.00 -1.16 105.19 107.95 2aqr n GLY 77 Ca -0.15 0.38 -0.26 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 -0.68 0.41 0.09 1.61 5.36 -1.26 -1.26 117.98 122.25 2aqr s PHE 78 Ca 0.60 -0.39 -0.07 0.00 -0.96 0.00 0.00 56.93 56.11 2aqr s PHE 78 Cb -0.58 -0.76 -0.01 0.00 -0.34 0.00 0.00 43.02 41.33 2aqr s PHE 78 CO 0.57 -0.50 0.15 -1.01 -1.46 0.00 0.00 175.22 172.97 2aqr s HIS 79 N 2.06 0.28 -0.18 10.12 3.76 -0.86 -2.42 115.29 128.06 2aqr s HIS 79 Ca 0.02 -0.73 -0.18 0.00 -0.15 0.00 0.00 55.06 54.01 2aqr s HIS 79 Cb -0.16 -0.15 -0.03 0.00 1.11 0.00 0.00 32.58 33.35 2aqr s HIS 79 CO -0.08 -0.52 0.51 0.42 -0.85 0.00 0.00 174.74 174.22 2aqr s ILE 80 N -3.89 5.12 0.20 0.60 -1.09 0.10 -0.13 121.20 122.11 2aqr s ILE 80 Ca 0.07 0.96 0.05 0.00 -2.23 0.00 0.00 60.65 59.50 2aqr s ILE 80 Cb 0.06 -3.84 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 2aqr s ILE 80 CO -0.09 0.21 0.25 -1.00 -1.23 0.00 0.00 174.94 173.08 2aqr s HIS 81 N 1.42 3.32 0.19 3.97 3.76 0.51 -0.62 115.29 127.83 2aqr s HIS 81 Ca 0.25 0.00 -0.12 0.00 -0.15 0.00 0.00 55.06 55.04 2aqr s HIS 81 Cb -0.15 -1.55 0.16 0.00 1.11 0.00 0.00 32.58 32.15 2aqr s HIS 81 CO 0.10 0.50 1.80 1.05 -0.85 0.00 0.00 174.74 177.34 2aqr h GLU 82 N 1.80 0.60 -6.06 1.40 4.11 -1.02 -2.63 114.58 112.77 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 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.28 2aqr h GLU 82 CO 0.64 0.39 -0.26 -0.80 0.07 0.00 0.00 179.01 179.05 2aqr s ASN 83 N -5.57 6.65 -1.54 3.06 0.01 0.51 -4.62 114.94 113.44 2aqr s ASN 83 Ca -0.13 0.79 -0.10 0.00 -0.71 0.00 0.00 52.86 52.71 2aqr s ASN 83 Cb 0.14 -2.18 -0.02 0.00 0.41 0.00 0.00 41.25 39.60 2aqr s ASN 83 CO 0.75 0.22 2.69 -0.81 -1.51 0.00 0.00 177.10 178.43 2aqr n PRO 84 N 1.13 3.66 -3.67 -0.60 -0.04 -1.23 -3.23 135.00 131.02 2aqr n PRO 84 Ca -0.10 -2.52 -0.14 0.00 -0.04 0.00 0.00 63.50 60.69 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 2.06 -0.48 -0.06 3.54 0.15 -1.26 -4.97 113.70 112.67 2aqr s SER 85 Ca 0.62 0.73 0.08 0.00 0.70 0.00 0.00 55.95 58.08 2aqr s SER 85 Cb 0.17 0.75 0.13 0.00 -1.71 0.00 0.00 66.02 65.36 2aqr s SER 85 CO -0.07 -0.35 1.04 0.00 1.20 0.00 0.00 173.24 175.06 2aqr s GLU 87 N -1.73 3.14 0.71 0.00 0.41 -1.26 -3.95 118.70 116.01 2aqr s GLU 87 Ca 0.14 1.37 -0.11 0.00 -0.41 0.00 0.00 54.97 55.96 2aqr s GLU 87 Cb 0.12 -2.00 0.02 0.00 -1.78 0.00 0.00 34.13 30.49 2aqr s GLU 87 CO 0.01 -0.98 1.10 -1.25 -0.49 0.00 0.00 175.26 173.65 2aqr s PRO 88 N -3.88 2.82 -0.00 0.39 0.04 -1.26 -0.18 135.00 132.92 2aqr s PRO 88 Ca 0.67 0.43 -0.04 0.00 0.04 0.00 0.00 61.00 62.10 2aqr s PRO 88 Cb -0.19 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.32 2aqr s PRO 88 CO 0.36 -1.05 0.08 0.21 0.04 0.00 0.00 177.00 176.63 2aqr s LYS 89 N -5.36 0.32 0.17 4.56 2.20 -0.70 -4.47 119.74 116.45 2aqr s LYS 89 Ca 0.58 -0.29 -0.31 0.00 -0.36 0.00 0.00 55.97 55.59 2aqr s LYS 89 Cb -0.11 0.13 -0.09 0.00 -1.51 0.00 0.00 37.83 36.25 2aqr s LYS 89 CO 0.51 -0.06 1.42 -1.21 -0.36 0.00 0.00 175.35 175.65 2aqr s GLU 90 N -0.95 4.30 -0.19 4.03 0.41 -1.26 -1.19 118.70 123.86 2aqr s GLU 90 Ca -0.10 2.17 -0.05 0.00 -0.41 0.00 0.00 54.97 56.58 2aqr s GLU 90 Cb -0.06 -3.19 0.07 0.00 -1.78 0.00 0.00 34.13 29.17 2aqr s GLU 90 CO 0.00 -0.43 0.11 -1.14 -0.49 0.00 0.00 175.26 173.31 2aqr s GLN 91 N 0.60 0.09 -1.38 1.61 0.74 -0.09 -4.88 119.66 116.35 2aqr s GLN 91 Ca 0.63 -0.09 -0.00 0.00 0.05 0.00 0.00 55.36 55.95 2aqr s GLN 91 Cb -0.39 -1.69 0.00 0.00 1.10 0.00 0.00 33.01 32.03 2aqr s GLN 91 CO 0.34 -0.70 0.51 0.39 -0.55 0.00 0.00 175.29 175.28 2aqr n GLU 92 N 5.28 -3.79 -3.17 1.67 -0.58 -1.26 -1.93 120.64 116.86 2aqr n GLU 92 Ca -0.07 0.47 -0.15 0.00 -0.42 0.00 0.00 57.16 57.00 2aqr n GLU 92 Cb 0.48 -4.73 0.05 0.00 -0.57 0.00 0.00 31.44 26.67 2aqr n GLU 92 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2aqr n GLY 93 N -1.85 0.03 3.10 0.62 0.00 -1.26 -5.02 105.19 100.81 2aqr n GLY 93 Ca -0.30 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.54 2aqr n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2aqr s LYS 94 N -5.79 0.37 -0.44 1.61 2.47 -0.81 -5.10 119.74 112.05 2aqr s LYS 94 Ca 0.36 0.81 -0.27 0.00 -1.56 0.00 0.00 55.97 55.30 2aqr s LYS 94 Cb -0.16 -0.01 -0.03 0.00 -1.46 0.00 0.00 37.83 36.18 2aqr s LYS 94 CO 0.45 -0.47 1.90 -1.17 0.16 0.00 0.00 175.35 176.21 2aqr s LEU 95 N 2.62 3.42 -0.19 5.43 2.96 -1.26 -0.91 118.68 130.74 2aqr s LEU 95 Ca 0.07 0.96 -0.09 0.00 -0.22 0.00 0.00 54.13 54.85 2aqr s LEU 95 Cb -0.14 -3.06 -0.05 0.00 0.50 0.00 0.00 46.19 43.45 2aqr s LEU 95 CO -0.15 -2.08 0.11 -0.89 -1.32 0.00 0.00 176.35 172.02 2aqr s THR 96 N 8.28 5.27 0.31 3.68 2.01 -0.33 -4.89 115.64 129.97 2aqr s THR 96 Ca 0.78 0.14 -0.29 0.00 0.31 0.00 0.00 61.69 62.63 2aqr s THR 96 Cb -0.19 -3.39 -0.12 0.00 0.01 0.00 0.00 72.50 68.81 2aqr s THR 96 CO 0.28 0.45 1.40 0.00 -0.69 0.00 0.00 174.62 176.06 2aqr n ALA 97 N 3.46 1.60 -0.74 7.40 0.00 -1.26 -1.73 120.51 129.25 2aqr n ALA 97 Ca -0.16 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2aqr n ALA 97 Cb 0.52 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 1.29 0.02 0.31 0.00 0.00 -1.25 -4.51 105.19 101.04 2aqr n GLY 98 Ca 0.06 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.48 0.99 3.38 -1.53 -1.83 115.31 113.83 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 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2aqr h LEU 99 CO 0.00 0.02 -0.02 1.23 0.09 0.00 0.00 178.44 179.76 2aqr h GLY 100 N 0.49 0.00 2.00 0.83 0.00 -0.79 -1.87 103.07 103.73 2aqr h GLY 100 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2aqr h GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2aqr h ALA 101 N 1.98 1.00 -0.10 3.60 0.00 -1.17 -3.43 119.26 121.14 2aqr h ALA 101 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2aqr h ALA 101 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2aqr h ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2aqr n GLY 102 N 0.02 -1.53 0.37 0.00 0.00 -0.70 -0.37 105.19 102.99 2aqr n GLY 102 Ca 0.02 -1.31 -0.02 0.00 0.00 0.00 0.00 46.02 44.70 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 0.32 3.75 -0.02 0.00 -1.26 -4.70 105.19 103.28 2aqr n GLY 103 Ca 0.00 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.35 2.90 0.03 1.61 3.76 -1.26 -0.98 115.29 121.00 2aqr s HIS 104 Ca 0.07 1.03 -0.30 0.00 -0.15 0.00 0.00 55.06 55.71 2aqr s HIS 104 Cb -0.00 -3.89 -0.09 0.00 1.11 0.00 0.00 32.58 29.71 2aqr s HIS 104 CO 0.04 -2.84 1.94 -0.46 -0.85 0.00 0.00 174.74 172.57 2aqr s TRP 105 N -0.30 1.35 -0.40 1.40 -0.00 0.20 -4.55 118.94 116.65 2aqr s TRP 105 Ca 0.58 -0.40 0.09 0.00 -0.00 0.00 0.00 56.10 56.38 2aqr s TRP 105 Cb -0.44 -4.22 0.29 0.00 -0.00 0.00 0.00 33.47 29.11 2aqr s TRP 105 CO 0.48 -5.42 0.63 -3.47 -0.00 0.00 0.00 176.95 169.17 2aqr n ASP 106 N 7.47 0.68 0.29 5.86 2.03 -1.26 -1.45 116.55 130.17 2aqr n ASP 106 Ca 0.20 -2.87 0.16 0.00 0.52 0.00 0.00 54.79 52.79 2aqr n ASP 106 Cb 0.41 -0.63 0.88 0.00 -0.72 0.00 0.00 41.12 41.06 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 3.57 0.00 -0.41 -0.67 0.13 -1.98 -2.44 132.00 130.21 2aqr h PRO 107 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2aqr h PRO 107 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2aqr h PRO 107 CO 0.50 0.05 0.00 1.63 -0.23 0.00 0.00 178.00 179.95 2aqr n LYS 108 N -3.59 2.36 -3.45 0.86 5.02 -1.26 -4.97 118.16 113.12 2aqr n LYS 108 Ca -0.02 -2.06 -0.18 0.00 -2.02 0.00 0.00 58.31 54.02 2aqr n LYS 108 Cb 0.16 -1.49 0.09 0.00 -0.02 0.00 0.00 35.03 33.77 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 1.44 -0.39 0.17 0.72 0.00 -0.92 -4.91 105.19 101.30 2aqr n GLY 109 Ca 0.19 0.13 -0.07 0.00 0.00 0.00 0.00 46.02 46.27 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 0.91 0.77 -6.39 4.61 0.00 -1.86 -3.47 119.26 113.83 2aqr h ALA 110 Ca -0.58 -0.56 -0.49 0.00 0.00 0.00 0.00 54.91 53.28 2aqr h ALA 110 Cb 1.34 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 2aqr h ALA 110 CO 0.51 0.74 -0.77 1.63 0.00 0.00 0.00 179.25 181.35 2aqr n LYS 111 N -3.87 -4.86 -3.63 0.00 5.02 -1.26 -4.88 118.16 104.67 2aqr n LYS 111 Ca -0.03 0.54 -0.11 0.00 -2.02 0.00 0.00 58.31 56.69 2aqr n LYS 111 Cb 0.64 -5.39 -0.07 0.00 -0.02 0.00 0.00 35.03 30.19 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 -6.69 0.72 0.07 1.97 0.74 -1.26 -5.06 119.66 110.14 2aqr s GLN 112 Ca 0.69 0.97 -0.21 0.00 0.05 0.00 0.00 55.36 56.86 2aqr s GLN 112 Cb -0.35 0.29 -0.06 0.00 1.10 0.00 0.00 33.01 33.99 2aqr s GLN 112 CO 0.85 -0.11 0.63 -1.58 -0.55 0.00 0.00 175.29 174.53 2aqr s HIS 113 N 0.74 3.79 0.00 1.67 5.65 -1.26 -1.17 115.29 124.70 2aqr s HIS 113 Ca -0.03 1.34 0.00 0.00 0.25 0.00 0.00 55.06 56.62 2aqr s HIS 113 Cb -0.05 -2.61 0.00 0.00 -1.18 0.00 0.00 32.58 28.74 2aqr s HIS 113 CO -0.06 0.48 0.00 0.41 -0.65 0.00 0.00 174.74 174.91 2aqr n GLY 114 N 1.96 3.68 3.86 1.59 0.00 -1.26 -4.08 105.19 110.96 2aqr n GLY 114 Ca -0.08 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.48 3.52 0.46 1.61 2.02 -1.25 -4.63 117.35 117.60 2aqr s TYR 115 Ca 0.00 1.28 0.30 0.00 -0.37 0.00 0.00 57.07 58.28 2aqr s TYR 115 Cb 0.00 -2.66 1.62 0.00 -0.40 0.00 0.00 41.96 40.52 2aqr s TYR 115 CO 0.00 -0.42 2.14 -1.35 -1.57 0.00 0.00 175.55 174.35 2aqr h PRO 116 N 0.52 0.00 -0.47 -1.71 0.11 -1.86 -1.97 132.00 126.62 2aqr h PRO 116 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 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 0.62 0.08 0.00 -2.67 -0.21 0.00 0.00 178.00 175.82 2aqr n TRP 117 N -3.61 1.55 -3.73 0.65 2.14 -1.26 -4.24 117.44 108.94 2aqr n TRP 117 Ca -0.02 -0.75 -0.37 0.00 2.07 0.00 0.00 57.50 58.42 2aqr n TRP 117 Cb 0.19 -0.39 -0.12 0.00 -0.81 0.00 0.00 31.31 30.18 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 -2.58 3.42 0.39 -2.67 0.74 -0.74 -5.00 119.66 113.22 2aqr s GLN 118 Ca 0.49 -0.64 0.10 0.00 0.05 0.00 0.00 55.36 55.35 2aqr s GLN 118 Cb 0.37 -3.40 0.79 0.00 1.10 0.00 0.00 33.01 31.86 2aqr s GLN 118 CO 0.15 -0.32 1.92 -0.44 -0.55 0.00 0.00 175.29 176.05 2aqr h ASP 119 N 8.27 0.23 -0.90 6.67 3.32 -1.91 -3.03 116.42 129.06 2aqr h ASP 119 Ca -0.35 -0.04 -0.57 0.00 0.02 0.00 0.00 57.03 56.08 2aqr h ASP 119 Cb 1.15 -0.06 -0.27 0.00 0.22 0.00 0.00 39.33 40.38 2aqr h ASP 119 CO 0.60 0.38 0.74 -0.90 -1.72 0.00 0.00 179.24 178.33 2aqr n ASP 120 N -4.28 6.36 -4.48 6.45 3.85 -1.26 -4.91 116.55 118.29 2aqr n ASP 120 Ca -0.01 -3.60 -0.24 0.00 -0.71 0.00 0.00 54.79 50.24 2aqr n ASP 120 Cb 0.26 -0.94 -0.10 0.00 -1.35 0.00 0.00 41.12 38.99 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 -3.32 2.69 0.17 2.12 0.00 -1.15 -4.64 121.76 117.63 2aqr s ALA 121 Ca 0.57 -1.95 -0.33 0.00 0.00 0.00 0.00 51.96 50.25 2aqr s ALA 121 Cb 0.45 -0.08 -0.16 0.00 0.00 0.00 0.00 23.12 23.33 2aqr s ALA 121 CO 0.02 0.12 1.10 0.72 0.00 0.00 0.00 175.76 177.72 2aqr n HIS 122 N -0.66 1.10 0.30 0.00 8.25 -0.32 -4.78 115.22 119.12 2aqr n HIS 122 Ca -0.05 0.73 0.19 0.00 -0.26 0.00 0.00 57.72 58.33 2aqr n HIS 122 Cb 0.62 -2.24 0.93 0.00 1.12 0.00 0.00 29.99 30.42 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 3.07 0.00 -0.48 2.41 5.85 -1.86 -2.30 115.31 122.00 2aqr h LEU 123 Ca -0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2aqr h LEU 123 Cb 1.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.39 2aqr h LEU 123 CO 0.68 0.01 0.00 0.61 -0.34 0.00 0.00 178.44 179.40 2aqr n GLY 124 N -0.51 -0.47 3.60 3.75 0.00 -0.53 -4.84 105.19 106.19 2aqr n GLY 124 Ca -0.01 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.83 6.36 0.36 1.61 1.01 -0.87 -0.72 116.67 122.59 2aqr s ASP 125 Ca 0.38 0.74 0.07 0.00 0.71 0.00 0.00 52.55 54.45 2aqr s ASP 125 Cb 0.19 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.56 2aqr s ASP 125 CO 0.31 -1.43 0.35 -0.76 0.21 0.00 0.00 175.17 173.84 2aqr s LEU 126 N 5.36 3.62 0.70 1.23 1.43 -1.01 -4.09 118.68 125.91 2aqr s LEU 126 Ca 0.59 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 53.04 2aqr s LEU 126 Cb -0.12 -2.29 0.02 0.00 0.03 0.00 0.00 46.19 43.83 2aqr s LEU 126 CO 0.32 -0.44 1.19 -2.84 0.23 0.00 0.00 176.35 174.81 2aqr s PRO 127 N -4.07 2.35 0.57 1.29 0.02 -1.26 -4.61 135.00 129.30 2aqr s PRO 127 Ca 0.44 1.72 -0.20 0.00 0.02 0.00 0.00 61.00 62.98 2aqr s PRO 127 Cb -0.06 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.56 2aqr s PRO 127 CO 0.28 -1.66 1.24 0.00 -0.33 0.00 0.00 177.00 176.53 2aqr s ALA 128 N -1.98 2.64 -0.06 -1.55 0.00 -1.26 -4.47 121.76 115.08 2aqr s ALA 128 Ca 0.74 1.09 -0.17 0.00 0.00 0.00 0.00 51.96 53.61 2aqr s ALA 128 Cb -0.28 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.31 2aqr s ALA 128 CO 0.43 -1.18 0.47 -1.17 0.00 0.00 0.00 175.76 174.31 2aqr s LEU 129 N -3.85 4.37 -0.24 0.00 2.96 -0.31 -4.87 118.68 116.73 2aqr s LEU 129 Ca 0.75 0.92 -0.13 0.00 -0.22 0.00 0.00 54.13 55.45 2aqr s LEU 129 Cb -0.33 -2.70 -0.04 0.00 0.50 0.00 0.00 46.19 43.62 2aqr s LEU 129 CO 0.37 0.13 0.27 -0.89 -1.32 0.00 0.00 176.35 174.90 2aqr s THR 130 N -0.08 5.28 -0.20 3.68 2.01 -1.26 -0.78 115.64 124.29 2aqr s THR 130 Ca 0.26 0.39 -0.03 0.00 0.31 0.00 0.00 61.69 62.62 2aqr s THR 130 Cb -0.16 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 2aqr s THR 130 CO 0.12 0.27 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.56 2aqr s VAL 131 N 1.42 3.18 0.96 3.82 1.01 -0.23 -4.41 120.40 126.15 2aqr s VAL 131 Ca 0.12 -0.57 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 2aqr s VAL 131 Cb -0.15 -2.42 0.17 0.00 0.00 0.00 0.00 36.38 33.98 2aqr s VAL 131 CO 0.07 0.46 1.17 -0.76 0.00 0.00 0.00 175.10 176.04 2aqr s LEU 132 N 1.21 1.97 0.33 3.92 1.43 0.03 -1.06 118.68 126.51 2aqr s LEU 132 Ca 0.02 0.78 0.09 0.00 -1.03 0.00 0.00 54.13 54.00 2aqr s LEU 132 Cb -0.14 -2.98 0.83 0.00 0.03 0.00 0.00 46.19 43.92 2aqr s LEU 132 CO -0.03 -2.78 1.79 -0.74 0.23 0.00 0.00 176.35 174.83 2aqr h HIS 133 N -1.66 0.94 0.00 0.29 -0.00 -1.97 0.15 115.15 112.91 2aqr h HIS 133 Ca -0.48 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 2aqr h HIS 133 Cb 1.31 -0.29 0.00 0.00 -0.00 0.00 0.00 27.41 28.43 2aqr h HIS 133 CO -0.31 0.22 0.00 -0.40 -0.00 0.00 0.00 177.93 177.43 2aqr n ASP 134 N -4.70 0.00 -0.03 3.26 3.85 -1.26 -4.79 116.55 112.88 2aqr n ASP 134 Ca 0.23 -1.65 -0.00 0.00 -0.71 0.00 0.00 54.79 52.65 2aqr n ASP 134 Cb 0.61 0.00 -0.00 0.00 -1.35 0.00 0.00 41.12 40.38 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 0.41 0.46 3.78 6.12 0.00 0.51 -4.70 105.19 111.77 2aqr n GLY 135 Ca 0.02 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.90 4.45 -0.10 2.61 -4.23 -1.25 -1.96 115.64 113.25 2aqr s THR 136 Ca 0.00 -0.99 -0.01 0.00 -1.18 0.00 0.00 61.69 59.50 2aqr s THR 136 Cb 0.00 -3.22 0.03 0.00 1.34 0.00 0.00 72.50 70.65 2aqr s THR 136 CO 0.00 -0.03 -0.02 0.00 -0.54 0.00 0.00 174.62 174.04 2aqr s ALA 137 N -1.62 0.92 0.00 3.99 0.00 -0.56 -0.79 121.76 123.69 2aqr s ALA 137 Ca 0.30 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.95 2aqr s ALA 137 Cb -0.11 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.17 2aqr s ALA 137 CO 0.23 -0.53 0.05 0.25 0.00 0.00 0.00 175.76 175.76 2aqr n THR 138 N 5.08 0.00 -2.53 0.00 -2.24 -1.26 -1.54 114.28 111.79 2aqr n THR 138 Ca -0.09 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.20 2aqr n THR 138 Cb 0.50 1.70 -0.02 0.00 -2.10 0.00 0.00 70.33 70.40 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 -0.03 6.89 0.56 3.42 3.04 -1.26 -4.53 114.94 123.03 2aqr s ASN 139 Ca 0.00 1.28 -0.18 0.00 0.04 0.00 0.00 52.86 54.01 2aqr s ASN 139 Cb 0.00 -2.54 -0.05 0.00 -1.54 0.00 0.00 41.25 37.12 2aqr s ASN 139 CO 0.00 -0.88 1.07 -2.16 -3.04 0.00 0.00 177.10 172.09 2aqr s PRO 140 N 3.70 3.42 0.04 0.43 0.04 -1.26 -4.51 135.00 136.86 2aqr s PRO 140 Ca 0.50 1.33 0.03 0.00 0.04 0.00 0.00 61.00 62.90 2aqr s PRO 140 Cb -0.16 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 2aqr s PRO 140 CO 0.16 -0.74 -0.09 0.14 0.04 0.00 0.00 177.00 176.50 2aqr s VAL 141 N -2.19 0.66 -0.12 -0.36 -7.23 -0.52 -4.97 120.40 105.67 2aqr s VAL 141 Ca 0.66 -1.06 -0.05 0.00 -1.81 0.00 0.00 61.98 59.72 2aqr s VAL 141 Cb -0.18 -0.69 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 2aqr s VAL 141 CO 0.31 -0.31 0.07 -0.22 -0.31 0.00 0.00 175.10 174.64 2aqr s LEU 142 N -1.50 3.95 -0.56 1.32 2.96 -1.26 -0.69 118.68 122.90 2aqr s LEU 142 Ca -0.07 0.27 0.00 0.00 -0.22 0.00 0.00 54.13 54.11 2aqr s LEU 142 Cb -0.09 -1.94 0.14 0.00 0.50 0.00 0.00 46.19 44.79 2aqr s LEU 142 CO 0.01 0.36 0.34 0.00 -1.32 0.00 0.00 176.35 175.74 2aqr s ALA 143 N -0.74 3.43 0.57 5.97 0.00 0.06 -4.55 121.76 126.49 2aqr s ALA 143 Ca 0.12 -3.21 0.27 0.00 0.00 0.00 0.00 51.96 49.14 2aqr s ALA 143 Cb -0.12 -2.42 1.58 0.00 0.00 0.00 0.00 23.12 22.17 2aqr s ALA 143 CO 0.03 -2.04 2.10 -1.00 0.00 0.00 0.00 175.76 174.85 2aqr h PRO 144 N 6.88 0.00 0.00 0.00 0.13 -1.78 -2.30 132.00 134.93 2aqr h PRO 144 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2aqr h PRO 144 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2aqr h PRO 144 CO 0.69 0.00 -0.21 0.00 -0.23 0.00 0.00 178.00 178.25 2aqr h ARG 145 N 0.00 0.00 -5.15 0.86 3.08 -1.85 -3.42 114.38 107.90 2aqr h ARG 145 Ca 0.09 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.49 2aqr h ARG 145 Cb 0.47 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.36 2aqr h ARG 145 CO -0.00 0.00 -0.13 -0.51 -1.07 0.00 0.00 179.97 178.26 2aqr s LEU 146 N -4.72 4.37 -0.18 3.04 1.43 -0.88 -4.95 118.68 116.79 2aqr s LEU 146 Ca 0.08 -0.08 0.18 0.00 -1.03 0.00 0.00 54.13 53.29 2aqr s LEU 146 Cb 0.11 -2.51 -0.25 0.00 0.03 0.00 0.00 46.19 43.57 2aqr s LEU 146 CO 0.65 -0.43 0.10 0.29 0.23 0.00 0.00 176.35 177.19 2aqr n LYS 147 N 5.62 0.75 -4.51 1.70 4.76 -1.26 -0.42 118.16 124.81 2aqr n LYS 147 Ca -0.06 -0.03 -0.21 0.00 -2.87 0.00 0.00 58.31 55.14 2aqr n LYS 147 Cb 0.49 -1.51 -0.14 0.00 -1.84 0.00 0.00 35.03 32.03 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 -2.57 1.23 0.23 2.13 3.76 -1.26 -4.71 115.29 114.10 2aqr s HIS 148 Ca -0.10 -0.28 -0.06 0.00 -0.15 0.00 0.00 55.06 54.47 2aqr s HIS 148 Cb 0.07 -0.76 0.38 0.00 1.11 0.00 0.00 32.58 33.37 2aqr s HIS 148 CO 0.82 0.01 1.75 -0.07 -0.85 0.00 0.00 174.74 176.40 2aqr h LEU 149 N 5.42 0.35 -1.81 0.89 3.38 -1.94 -1.89 115.31 119.70 2aqr h LEU 149 Ca -0.36 0.08 0.15 0.00 0.09 0.00 0.00 57.88 57.84 2aqr h LEU 149 Cb 1.17 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 2aqr h LEU 149 CO 0.47 0.17 0.43 -0.78 0.09 0.00 0.00 178.44 178.82 2aqr h ASP 150 N 0.50 0.18 -0.36 -0.43 3.58 -1.96 -2.04 116.42 115.88 2aqr h ASP 150 Ca 0.37 0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.88 2aqr h ASP 150 Cb 0.49 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 2aqr h ASP 150 CO -0.33 0.09 0.25 0.44 -2.88 0.00 0.00 179.24 176.81 2aqr h ASP 151 N 0.19 0.24 0.61 2.28 3.45 -1.77 -2.28 116.42 119.14 2aqr h ASP 151 Ca 0.30 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.76 2aqr h ASP 151 Cb 0.92 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.63 2aqr h ASP 151 CO -0.05 0.16 -0.68 1.33 -1.57 0.00 0.00 179.24 178.43 2aqr n VAL 152 N -4.48 0.17 -2.11 -1.35 0.24 -0.77 -4.90 118.33 105.12 2aqr n VAL 152 Ca 0.04 -0.16 -0.39 0.00 -2.04 0.00 0.00 64.34 61.79 2aqr n VAL 152 Cb 0.23 0.12 -0.01 0.00 -1.47 0.00 0.00 33.84 32.71 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 -3.11 4.03 0.00 7.34 0.52 -0.86 -2.78 118.95 124.09 2aqr s ARG 153 Ca 0.07 2.09 0.00 0.00 -0.52 0.00 0.00 55.73 57.37 2aqr s ARG 153 Cb 0.15 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.85 2aqr s ARG 153 CO 0.74 -0.42 0.00 0.41 0.02 0.00 0.00 175.30 176.05 2aqr n GLY 154 N 0.69 0.71 0.42 -3.53 0.00 -0.62 -5.04 105.19 97.82 2aqr n GLY 154 Ca 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.56 0.00 -4.27 1.61 8.25 -1.12 -3.55 115.22 113.59 2aqr n HIS 155 Ca 0.00 -0.33 -0.16 0.00 -0.26 0.00 0.00 57.72 56.97 2aqr n HIS 155 Cb 0.00 0.00 -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 -1.31 1.99 -0.10 0.41 1.04 -0.99 -0.18 113.70 114.56 2aqr s SER 156 Ca 0.03 -0.99 0.03 0.00 0.48 0.00 0.00 55.95 55.50 2aqr s SER 156 Cb 0.00 -0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.07 2aqr s SER 156 CO 0.02 -0.27 -0.20 -0.51 0.98 0.00 0.00 173.24 173.26 2aqr s ILE 157 N -3.12 2.45 0.02 -1.02 2.07 0.03 -0.37 121.20 121.26 2aqr s ILE 157 Ca 0.17 -0.90 0.08 0.00 -1.41 0.00 0.00 60.65 58.60 2aqr s ILE 157 Cb 0.01 -1.96 -0.03 0.00 0.13 0.00 0.00 42.46 40.61 2aqr s ILE 157 CO 0.02 0.55 -0.25 -0.32 -1.91 0.00 0.00 174.94 173.04 2aqr s MET 158 N 0.15 1.96 -0.15 3.50 -2.45 0.82 -1.59 119.30 121.53 2aqr s MET 158 Ca -0.11 -1.02 0.02 0.00 -1.25 0.00 0.00 55.69 53.32 2aqr s MET 158 Cb -0.16 -2.04 0.02 0.00 1.25 0.00 0.00 34.83 33.90 2aqr s MET 158 CO 0.06 0.53 -0.20 0.42 1.05 0.00 0.00 175.02 176.89 2aqr s ILE 159 N -0.75 1.96 0.44 10.11 1.01 0.08 -2.02 121.20 132.02 2aqr s ILE 159 Ca 0.11 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.89 2aqr s ILE 159 Cb -0.10 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.61 2aqr s ILE 159 CO 0.01 0.53 0.64 -1.00 0.00 0.00 0.00 174.94 175.12 2aqr s HIS 160 N 1.08 3.13 0.11 3.97 3.76 -0.39 -0.87 115.29 126.07 2aqr s HIS 160 Ca -0.01 0.07 -0.13 0.00 -0.15 0.00 0.00 55.06 54.84 2aqr s HIS 160 Cb -0.14 -2.31 -0.13 0.00 1.11 0.00 0.00 32.58 31.11 2aqr s HIS 160 CO -0.07 -0.36 1.34 1.15 -0.85 0.00 0.00 174.74 175.95 2aqr h THR 161 N 0.47 1.28 -4.87 1.30 2.02 -1.23 -3.38 112.91 108.50 2aqr h THR 161 Ca -0.45 -1.85 -0.41 0.00 0.77 0.00 0.00 66.41 64.47 2aqr h THR 161 Cb 1.26 1.85 0.10 0.00 -1.74 0.00 0.00 68.15 69.62 2aqr h THR 161 CO 0.55 0.59 0.18 0.61 0.37 0.00 0.00 175.52 177.82 2aqr n GLY 162 N 0.56 0.10 0.00 2.16 0.00 0.33 -4.90 105.19 103.45 2aqr n GLY 162 Ca -0.06 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.12 1.22 3.12 -0.02 0.00 -1.24 -0.82 105.19 105.32 2aqr n GLY 163 Ca 0.15 -1.58 0.03 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.23 -0.06 1.61 -1.08 -1.23 -2.95 116.67 110.72 2aqr s ASP 164 Ca 0.00 0.71 0.16 0.00 -0.52 0.00 0.00 52.55 52.90 2aqr s ASP 164 Cb 0.00 2.03 0.56 0.00 -1.46 0.00 0.00 42.92 44.05 2aqr s ASP 164 CO 0.00 -0.27 1.45 -0.46 0.52 0.00 0.00 175.17 176.41 2aqr n ASN 165 N 5.42 3.63 -3.93 -0.34 6.94 -0.83 -4.92 115.26 121.24 2aqr n ASN 165 Ca -0.00 -2.22 -0.29 0.00 -0.02 0.00 0.00 54.58 52.05 2aqr n ASN 165 Cb 0.51 -0.47 0.01 0.00 -2.36 0.00 0.00 39.78 37.48 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 1.01 -2.05 -3.63 -2.53 8.25 -1.26 -4.96 115.22 110.04 2aqr n HIS 166 Ca 0.20 0.86 -0.10 0.00 -0.26 0.00 0.00 57.72 58.42 2aqr n HIS 166 Cb 0.65 -3.86 -0.03 0.00 1.12 0.00 0.00 29.99 27.86 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 -3.65 -0.34 -0.04 0.41 0.15 -1.26 -3.94 113.70 105.03 2aqr s SER 167 Ca 0.46 -0.32 0.16 0.00 0.70 0.00 0.00 55.95 56.96 2aqr s SER 167 Cb -0.24 0.57 0.54 0.00 -1.71 0.00 0.00 66.02 65.19 2aqr s SER 167 CO 0.85 -1.01 1.44 0.47 1.20 0.00 0.00 173.24 176.19 2aqr n ASP 168 N -0.34 3.48 -3.91 5.45 8.00 -1.26 -0.30 116.55 127.67 2aqr n ASP 168 Ca -0.13 -2.17 -0.12 0.00 0.71 0.00 0.00 54.79 53.08 2aqr n ASP 168 Cb 0.63 -0.45 -0.13 0.00 -0.02 0.00 0.00 41.12 41.15 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 -1.49 0.12 -1.06 1.24 2.46 -1.26 -3.61 115.29 111.70 2aqr s HIS 169 Ca 0.40 -0.11 0.23 0.00 0.47 0.00 0.00 55.06 56.04 2aqr s HIS 169 Cb 0.23 -0.08 0.99 0.00 -0.13 0.00 0.00 32.58 33.59 2aqr s HIS 169 CO 0.23 -0.03 1.73 -0.35 -2.47 0.00 0.00 174.74 173.85 2aqr n PRO 170 N 2.77 0.04 -4.74 2.88 -0.04 -1.26 -4.98 135.00 129.68 2aqr n PRO 170 Ca -0.14 0.10 -0.26 0.00 -0.04 0.00 0.00 63.50 63.16 2aqr n PRO 170 Cb 0.59 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.40 2aqr n PRO 170 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2aqr s ALA 171 N -2.94 1.83 0.64 0.55 0.00 -1.26 -5.09 121.76 115.49 2aqr s ALA 171 Ca 0.12 -1.07 -0.18 0.00 0.00 0.00 0.00 51.96 50.84 2aqr s ALA 171 Cb 0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 2aqr s ALA 171 CO 0.41 0.42 1.24 -1.25 0.00 0.00 0.00 175.76 176.58 2aqr s PRO 172 N -1.09 2.63 -1.52 0.00 0.04 -1.24 -3.44 135.00 130.38 2aqr s PRO 172 Ca 0.08 1.91 -0.12 0.00 0.04 0.00 0.00 61.00 62.91 2aqr s PRO 172 Cb -0.09 -1.87 0.08 0.00 0.04 0.00 0.00 34.50 32.65 2aqr s PRO 172 CO 0.01 -1.50 0.89 1.28 0.04 0.00 0.00 177.00 177.73 2aqr n LEU 173 N -1.95 -2.50 0.00 -3.56 4.77 -1.26 -1.94 117.00 110.56 2aqr n LEU 173 Ca 0.14 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 2aqr n LEU 173 Cb 0.49 -2.49 0.00 0.00 -2.33 0.00 0.00 43.42 39.09 2aqr n LEU 173 CO 0.46 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 2aqr n GLY 174 N -1.66 0.42 1.82 -0.72 0.00 0.59 -2.90 105.19 102.74 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 -1.65 0.46 0.31 -0.02 0.00 -0.82 -1.96 105.19 101.51 2aqr n GLY 175 Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 46.02 45.24 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 0.70 0.00 -0.02 0.00 -1.41 -3.32 103.07 99.01 2aqr h GLY 176 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2aqr h GLY 176 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 176.54 177.45 2aqr n GLY 177 N -1.24 1.99 3.48 4.60 0.00 -1.26 -0.51 105.19 112.24 2aqr n GLY 177 Ca 0.04 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 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 10.00 0.23 -3.28 1.61 -0.02 -1.26 -4.75 135.00 137.52 2aqr n PRO 178 Ca 0.00 0.12 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 2aqr n PRO 178 Cb 0.00 -1.88 -0.08 0.00 -0.02 0.00 0.00 33.50 31.52 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 -2.97 3.49 -0.13 -0.52 0.52 -1.26 -1.34 118.95 116.75 2aqr s ARG 179 Ca 0.65 -0.34 -0.16 0.00 -0.52 0.00 0.00 55.73 55.36 2aqr s ARG 179 Cb -0.33 -3.84 -0.25 0.00 0.52 0.00 0.00 34.95 31.05 2aqr s ARG 179 CO 0.59 -0.68 0.47 1.98 0.02 0.00 0.00 175.30 177.67 2aqr h MET 180 N 8.54 0.18 -3.95 3.54 1.85 -1.26 -3.44 114.93 120.38 2aqr h MET 180 Ca -0.28 -0.31 -0.12 0.00 -0.61 0.00 0.00 59.70 58.38 2aqr h MET 180 Cb 1.12 0.11 -0.16 0.00 0.43 0.00 0.00 31.60 33.10 2aqr h MET 180 CO 0.77 1.15 -0.56 0.00 -0.40 0.00 0.00 176.91 177.86 2aqr s ALA 181 N -2.45 0.10 0.04 0.39 0.00 -0.53 -0.57 121.76 118.73 2aqr s ALA 181 Ca -0.22 -0.77 -0.28 0.00 0.00 0.00 0.00 51.96 50.70 2aqr s ALA 181 Cb 0.05 0.29 0.07 0.00 0.00 0.00 0.00 23.12 23.52 2aqr s ALA 181 CO 0.72 -0.35 0.64 0.00 0.00 0.00 0.00 175.76 176.77 2aqr s GLY 183 N -1.84 -0.17 -0.06 0.00 0.00 -0.62 -1.43 107.32 103.21 2aqr s GLY 183 Ca -0.06 0.62 -0.22 0.00 0.00 0.00 0.00 44.72 45.06 2aqr s GLY 183 CO 0.00 0.53 0.65 0.14 0.00 0.00 0.00 173.10 174.42 2aqr s VAL 184 N 0.04 5.04 -0.49 1.40 1.01 -1.26 -0.79 120.40 125.35 2aqr s VAL 184 Ca -0.01 1.34 -0.24 0.00 0.00 0.00 0.00 61.98 63.07 2aqr s VAL 184 Cb -0.02 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.41 2aqr s VAL 184 CO 0.00 0.29 0.86 -0.63 0.00 0.00 0.00 175.10 175.63 2aqr s ILE 185 N 0.59 4.53 -2.30 2.22 1.01 0.75 -4.70 121.20 123.31 2aqr s ILE 185 Ca 0.35 0.38 0.30 0.00 0.00 0.00 0.00 60.65 61.67 2aqr s ILE 185 Cb -0.17 -4.42 0.70 0.00 0.01 0.00 0.00 42.46 38.57 2aqr s ILE 185 CO 0.17 -0.89 1.94 0.29 0.00 0.00 0.00 174.94 176.45