#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqp s SER 33 N 0.00 -0.45 -0.15 0.00 1.04 -1.26 -4.10 113.70 108.78 2aqp s SER 33 Ca 0.00 -0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.34 2aqp s SER 33 Cb 0.00 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.68 2aqp s SER 33 CO 0.00 -0.93 -0.19 -0.63 0.98 0.00 0.00 173.24 172.47 2aqp s ILE 34 N -3.75 2.29 -0.39 -1.02 1.01 -0.15 -4.96 121.20 114.23 2aqp s ILE 34 Ca 0.02 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 59.60 2aqp s ILE 34 Cb 0.00 -1.94 0.01 0.00 0.01 0.00 0.00 42.46 40.54 2aqp s ILE 34 CO -0.12 0.53 0.41 -0.70 0.00 0.00 0.00 174.94 175.06 2aqp s GLU 35 N 0.86 3.25 -0.24 2.79 2.12 -1.26 0.05 118.70 126.26 2aqp s GLU 35 Ca -0.05 -0.65 -0.09 0.00 0.36 0.00 0.00 54.97 54.53 2aqp s GLU 35 Cb -0.15 -3.91 -0.04 0.00 0.26 0.00 0.00 34.13 30.28 2aqp s GLU 35 CO -0.02 -0.74 0.13 0.08 -0.54 0.00 0.00 175.26 174.17 2aqp s VAL 36 N 2.08 5.02 -0.01 3.70 1.01 0.38 -4.94 120.40 127.64 2aqp s VAL 36 Ca 0.12 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 2aqp s VAL 36 Cb -0.17 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2aqp s VAL 36 CO 0.13 0.35 1.12 -0.75 0.00 0.00 0.00 175.10 175.95 2aqp s LYS 37 N 1.13 4.44 -0.04 2.72 2.20 -1.26 -0.97 119.74 127.95 2aqp s LYS 37 Ca 0.06 1.61 0.05 0.00 -0.36 0.00 0.00 55.97 57.33 2aqp s LYS 37 Cb -0.14 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.70 2aqp s LYS 37 CO 0.04 -0.27 -0.19 0.08 -0.36 0.00 0.00 175.35 174.65 2aqp s VAL 38 N 1.50 2.60 0.01 4.02 1.01 0.13 -4.20 120.40 125.48 2aqp s VAL 38 Ca 0.55 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.70 2aqp s VAL 38 Cb -0.25 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 2aqp s VAL 38 CO 0.25 0.58 -0.21 -1.10 0.00 0.00 0.00 175.10 174.63 2aqp s GLN 39 N -0.62 1.54 0.11 2.72 -0.21 -0.53 -1.50 119.66 121.17 2aqp s GLN 39 Ca 0.09 -0.83 -0.31 0.00 0.02 0.00 0.00 55.36 54.34 2aqp s GLN 39 Cb -0.11 -1.57 -0.08 0.00 1.00 0.00 0.00 33.01 32.26 2aqp s GLN 39 CO 0.00 0.42 1.35 -1.14 -2.12 0.00 0.00 175.29 173.80 2aqp s GLN 40 N -0.79 4.34 -0.14 2.91 0.74 0.51 -1.05 119.66 126.18 2aqp s GLN 40 Ca 0.08 2.02 -0.18 0.00 0.05 0.00 0.00 55.36 57.33 2aqp s GLN 40 Cb -0.08 -3.26 -0.04 0.00 1.10 0.00 0.00 33.01 30.73 2aqp s GLN 40 CO 0.00 -0.40 0.46 -0.51 -0.55 0.00 0.00 175.29 174.30 2aqp s LEU 41 N 1.02 4.25 -0.35 3.68 1.43 -0.20 -1.37 118.68 127.15 2aqp s LEU 41 Ca 0.63 0.75 0.04 0.00 -1.03 0.00 0.00 54.13 54.52 2aqp s LEU 41 Cb -0.36 -2.65 0.17 0.00 0.03 0.00 0.00 46.19 43.38 2aqp s LEU 41 CO 0.30 -0.02 0.47 -0.62 0.23 0.00 0.00 176.35 176.72 2aqp s ASP 42 N 0.70 -0.05 0.23 2.29 -1.08 -1.26 -4.94 116.67 112.57 2aqp s ASP 42 Ca 0.24 -0.81 0.20 0.00 -0.52 0.00 0.00 52.55 51.66 2aqp s ASP 42 Cb -0.15 1.24 0.92 0.00 -1.46 0.00 0.00 42.92 43.47 2aqp s ASP 42 CO 0.09 -0.27 1.61 -2.65 0.52 0.00 0.00 175.17 174.47 2aqp n PRO 43 N 4.77 0.14 -0.10 4.34 -0.02 -1.26 -1.30 135.00 141.57 2aqp n PRO 43 Ca 0.07 0.48 -0.15 0.00 -2.02 0.00 0.00 63.50 61.88 2aqp n PRO 43 Cb 0.50 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 32.10 2aqp n PRO 43 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2aqp n VAL 44 N -2.10 1.49 1.04 -1.45 0.31 -1.26 -4.68 118.33 111.68 2aqp n VAL 44 Ca 0.01 0.01 0.11 0.00 -0.01 0.00 0.00 64.34 64.47 2aqp n VAL 44 Cb 0.14 -2.20 0.09 0.00 -0.91 0.00 0.00 33.84 30.96 2aqp n VAL 44 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2aqp n ASN 45 N -4.45 1.12 0.00 4.52 4.13 -1.24 -5.04 115.26 114.30 2aqp n ASN 45 Ca -0.25 -0.91 0.00 0.00 1.68 0.00 0.00 54.58 55.10 2aqp n ASN 45 Cb 0.56 0.54 0.00 0.00 -1.54 0.00 0.00 39.78 39.34 2aqp n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2aqp n GLY 46 N 1.45 2.73 3.71 7.41 0.00 -0.42 -5.05 105.19 115.03 2aqp n GLY 46 Ca 0.07 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 2aqp n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2aqp s ASN 47 N 0.00 3.94 -0.06 1.61 0.01 -1.19 -4.35 114.94 114.91 2aqp s ASN 47 Ca 0.00 2.28 0.03 0.00 -0.71 0.00 0.00 52.86 54.46 2aqp s ASN 47 Cb 0.00 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.09 2aqp s ASN 47 CO 0.00 -2.43 -0.15 -0.75 -1.51 0.00 0.00 177.10 172.26 2aqp s LYS 48 N -4.15 1.79 0.17 -0.60 2.20 -0.47 -4.96 119.74 113.72 2aqp s LYS 48 Ca 0.72 -0.51 -0.32 0.00 -0.36 0.00 0.00 55.97 55.50 2aqp s LYS 48 Cb -0.27 -1.49 -0.11 0.00 -1.51 0.00 0.00 37.83 34.45 2aqp s LYS 48 CO 0.49 0.12 1.63 -0.51 -0.36 0.00 0.00 175.35 176.72 2aqp s ASP 49 N 0.40 6.51 0.00 1.43 1.11 -1.26 -0.36 116.67 124.49 2aqp s ASP 49 Ca -0.11 2.70 0.00 0.00 0.18 0.00 0.00 52.55 55.33 2aqp s ASP 49 Cb -0.14 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.26 2aqp s ASP 49 CO 0.03 -0.88 0.72 1.33 1.18 0.00 0.00 175.17 177.55 2aqp n VAL 50 N 4.04 0.52 0.00 -1.27 0.24 -0.57 -4.84 118.33 116.45 2aqp n VAL 50 Ca 0.15 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 2aqp n VAL 50 Cb 0.37 0.81 0.00 0.00 -1.47 0.00 0.00 33.84 33.56 2aqp n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aqp n GLY 51 N -0.26 0.28 3.31 7.63 0.00 -1.21 -0.56 105.19 114.38 2aqp n GLY 51 Ca 0.00 -2.09 -0.16 0.00 0.00 0.00 0.00 46.02 43.77 2aqp n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aqp s THR 52 N 0.00 1.19 -0.10 2.61 -4.23 -0.64 -0.69 115.64 113.78 2aqp s THR 52 Ca 0.00 -2.07 0.02 0.00 -1.18 0.00 0.00 61.69 58.46 2aqp s THR 52 Cb 0.00 -2.15 0.01 0.00 1.34 0.00 0.00 72.50 71.70 2aqp s THR 52 CO 0.00 -0.50 -0.16 -0.69 -0.54 0.00 0.00 174.62 172.73 2aqp s VAL 53 N -3.31 1.51 -0.21 2.29 1.01 -0.14 -0.19 120.40 121.35 2aqp s VAL 53 Ca 0.24 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.49 2aqp s VAL 53 Cb 0.04 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 2aqp s VAL 53 CO 0.06 0.44 0.03 -0.89 0.00 0.00 0.00 175.10 174.74 2aqp s THR 54 N 0.86 4.23 -0.22 3.92 2.01 -0.04 -0.47 115.64 125.93 2aqp s THR 54 Ca -0.09 -0.22 -0.10 0.00 0.31 0.00 0.00 61.69 61.59 2aqp s THR 54 Cb -0.15 -2.93 -0.05 0.00 0.01 0.00 0.00 72.50 69.38 2aqp s THR 54 CO 0.01 0.41 0.13 -0.63 -0.69 0.00 0.00 174.62 173.85 2aqp s ILE 55 N 1.02 5.21 0.23 1.82 1.01 0.11 -0.61 121.20 129.99 2aqp s ILE 55 Ca 0.03 0.12 0.06 0.00 0.00 0.00 0.00 60.65 60.86 2aqp s ILE 55 Cb -0.14 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 2aqp s ILE 55 CO 0.02 0.38 -0.07 0.42 0.00 0.00 0.00 174.94 175.69 2aqp s THR 56 N 0.84 1.47 -0.10 2.92 -4.23 -0.21 -0.98 115.64 115.34 2aqp s THR 56 Ca 0.07 -2.12 -0.15 0.00 -1.18 0.00 0.00 61.69 58.31 2aqp s THR 56 Cb -0.13 -2.25 -0.05 0.00 1.34 0.00 0.00 72.50 71.41 2aqp s THR 56 CO 0.02 -0.43 0.36 -1.61 -0.54 0.00 0.00 174.62 172.43 2aqp s GLU 57 N -3.74 4.14 0.36 3.99 2.02 -1.26 -0.90 118.70 123.30 2aqp s GLU 57 Ca 0.26 0.26 0.09 0.00 0.02 0.00 0.00 54.97 55.60 2aqp s GLU 57 Cb 0.03 -3.36 -0.07 0.00 0.10 0.00 0.00 34.13 30.83 2aqp s GLU 57 CO 0.09 0.37 -0.06 -1.54 0.02 0.00 0.00 175.26 174.14 2aqp s SER 58 N 0.00 3.82 0.00 -0.19 1.04 -0.64 -4.92 113.70 112.81 2aqp s SER 58 Ca 0.21 -1.21 0.02 0.00 0.48 0.00 0.00 55.95 55.45 2aqp s SER 58 Cb -0.14 -0.38 0.10 0.00 0.10 0.00 0.00 66.02 65.69 2aqp s SER 58 CO 0.08 -0.26 0.96 0.59 0.98 0.00 0.00 173.24 175.59 2aqp n ASN 59 N -0.85 0.00 -0.11 7.02 4.13 -1.26 -2.22 115.26 121.97 2aqp n ASN 59 Ca -0.05 0.36 0.01 0.00 1.68 0.00 0.00 54.58 56.59 2aqp n ASN 59 Cb 0.64 -0.38 0.02 0.00 -1.54 0.00 0.00 39.78 38.52 2aqp n ASN 59 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2aqp n TYR 60 N -1.38 0.04 0.00 3.10 4.01 -1.26 -5.12 117.16 116.55 2aqp n TYR 60 Ca 0.01 -0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 2aqp n TYR 60 Cb 0.02 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2aqp n TYR 60 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aqp n GLY 61 N -0.06 0.65 3.74 2.72 0.00 -0.94 -4.24 105.19 107.06 2aqp n GLY 61 Ca 0.02 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 2aqp n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqp s LEU 62 N 0.00 4.53 -0.15 0.99 1.43 -0.01 -1.62 118.68 123.86 2aqp s LEU 62 Ca 0.00 1.95 -0.04 0.00 -1.03 0.00 0.00 54.13 55.01 2aqp s LEU 62 Cb 0.00 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 2aqp s LEU 62 CO 0.00 -0.07 -0.02 -0.69 0.23 0.00 0.00 176.35 175.80 2aqp s VAL 63 N -0.39 4.11 -0.34 -1.59 1.01 -0.08 -0.75 120.40 122.36 2aqp s VAL 63 Ca 0.46 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 2aqp s VAL 63 Cb -0.26 -2.79 0.05 0.00 0.00 0.00 0.00 36.38 33.37 2aqp s VAL 63 CO 0.33 0.51 0.10 -0.36 0.00 0.00 0.00 175.10 175.67 2aqp s PHE 64 N 0.13 3.29 -0.35 5.22 0.40 -0.06 -1.05 117.98 125.56 2aqp s PHE 64 Ca 0.00 -1.61 -0.06 0.00 -0.60 0.00 0.00 56.93 54.66 2aqp s PHE 64 Cb -0.13 -2.36 0.05 0.00 0.51 0.00 0.00 43.02 41.09 2aqp s PHE 64 CO 0.02 -0.77 0.12 0.99 0.70 0.00 0.00 175.22 176.28 2aqp s THR 65 N 1.35 3.67 0.41 0.64 2.01 0.22 -1.36 115.64 122.58 2aqp s THR 65 Ca -0.01 -1.31 -0.20 0.00 0.31 0.00 0.00 61.69 60.48 2aqp s THR 65 Cb -0.20 -3.15 -0.11 0.00 0.01 0.00 0.00 72.50 69.05 2aqp s THR 65 CO 0.01 -0.27 0.91 -2.16 -0.69 0.00 0.00 174.62 172.42 2aqp s PRO 66 N 1.35 4.20 -0.42 4.92 0.04 -1.26 -0.86 135.00 142.97 2aqp s PRO 66 Ca -0.01 1.04 0.04 0.00 0.04 0.00 0.00 61.00 62.12 2aqp s PRO 66 Cb -0.20 -2.24 0.17 0.00 0.04 0.00 0.00 34.50 32.26 2aqp s PRO 66 CO 0.01 0.01 0.35 -3.47 0.04 0.00 0.00 177.00 173.95 2aqp n ASP 67 N -0.56 -0.39 -4.46 6.66 4.64 0.73 -4.00 116.55 119.18 2aqp n ASP 67 Ca 0.06 -2.40 -0.26 0.00 -1.38 0.00 0.00 54.79 50.81 2aqp n ASP 67 Cb 0.54 -0.56 -0.11 0.00 -1.04 0.00 0.00 41.12 39.95 2aqp n ASP 67 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2aqp s LEU 68 N -0.01 2.56 0.07 -2.67 1.43 -0.39 -1.63 118.68 118.04 2aqp s LEU 68 Ca 0.33 -0.83 -0.07 0.00 -1.03 0.00 0.00 54.13 52.53 2aqp s LEU 68 Cb 0.04 -1.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 2aqp s LEU 68 CO -0.20 0.11 0.15 0.00 0.23 0.00 0.00 176.35 176.64 2aqp s GLN 69 N -2.81 0.78 0.00 1.70 1.03 0.28 -1.37 119.66 119.27 2aqp s GLN 69 Ca 0.23 -0.94 0.00 0.00 0.04 0.00 0.00 55.36 54.68 2aqp s GLN 69 Cb -0.08 0.31 0.00 0.00 0.03 0.00 0.00 33.01 33.27 2aqp s GLN 69 CO 0.12 -0.23 0.00 0.41 -2.54 0.00 0.00 175.29 173.05 2aqp n GLY 70 N 0.11 0.51 3.93 2.60 0.00 -0.83 -4.59 105.19 106.92 2aqp n GLY 70 Ca -0.16 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 2aqp n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqp s LEU 71 N 0.00 4.30 0.24 0.99 1.43 -0.80 -5.06 118.68 119.78 2aqp s LEU 71 Ca 0.00 0.16 -0.31 0.00 -1.03 0.00 0.00 54.13 52.95 2aqp s LEU 71 Cb 0.00 -2.87 -0.11 0.00 0.03 0.00 0.00 46.19 43.24 2aqp s LEU 71 CO 0.00 0.06 1.56 -0.55 0.23 0.00 0.00 176.35 177.66 2aqp s SER 72 N -3.16 6.50 0.45 2.29 0.15 -1.26 -4.07 113.70 114.59 2aqp s SER 72 Ca 0.34 2.79 -0.25 0.00 0.70 0.00 0.00 55.95 59.54 2aqp s SER 72 Cb -0.11 -2.62 -0.08 0.00 -1.71 0.00 0.00 66.02 61.50 2aqp s SER 72 CO 0.28 -0.84 1.31 0.00 1.20 0.00 0.00 173.24 175.19 2aqp s ALA 73 N 0.39 3.14 0.00 5.45 0.00 -1.26 -4.82 121.76 124.66 2aqp s ALA 73 Ca 0.65 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.86 2aqp s ALA 73 Cb -0.46 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.16 2aqp s ALA 73 CO 0.41 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.62 2aqp n GLY 74 N 0.63 1.18 3.63 0.00 0.00 -0.42 -4.98 105.19 105.23 2aqp n GLY 74 Ca 0.06 -1.85 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 2aqp n GLY 74 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2aqp s LEU 75 N 0.00 4.08 -0.03 0.99 2.96 -1.26 -0.63 118.68 124.79 2aqp s LEU 75 Ca 0.00 0.46 0.06 0.00 -0.22 0.00 0.00 54.13 54.44 2aqp s LEU 75 Cb 0.00 -2.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.12 2aqp s LEU 75 CO 0.00 -0.19 -0.22 -1.00 -1.32 0.00 0.00 176.35 173.62 2aqp s HIS 76 N 1.89 2.04 0.39 5.38 3.76 0.06 -3.83 115.29 124.99 2aqp s HIS 76 Ca 0.19 -0.47 -0.27 0.00 -0.15 0.00 0.00 55.06 54.37 2aqp s HIS 76 Cb -0.15 -1.33 -0.11 0.00 1.11 0.00 0.00 32.58 32.10 2aqp s HIS 76 CO 0.09 -0.09 1.34 0.41 -0.85 0.00 0.00 174.74 175.64 2aqp n GLY 77 N 2.72 0.75 2.73 -2.22 0.00 0.09 -0.99 105.19 108.26 2aqp n GLY 77 Ca -0.16 0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 2aqp n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2aqp s PHE 78 N -1.15 -0.07 0.03 1.61 5.36 -1.26 -0.63 117.98 121.87 2aqp s PHE 78 Ca 0.58 0.18 -0.07 0.00 -0.96 0.00 0.00 56.93 56.66 2aqp s PHE 78 Cb -0.51 -0.44 -0.00 0.00 -0.34 0.00 0.00 43.02 41.72 2aqp s PHE 78 CO 0.60 -0.43 0.14 -1.01 -1.46 0.00 0.00 175.22 173.06 2aqp s HIS 79 N 2.24 0.12 -0.02 10.12 3.76 -0.66 -2.72 115.29 128.14 2aqp s HIS 79 Ca 0.04 -0.35 -0.27 0.00 -0.15 0.00 0.00 55.06 54.33 2aqp s HIS 79 Cb -0.14 -0.09 -0.04 0.00 1.11 0.00 0.00 32.58 33.42 2aqp s HIS 79 CO -0.08 -0.37 0.86 0.42 -0.85 0.00 0.00 174.74 174.71 2aqp s ILE 80 N -2.35 4.91 0.29 0.60 -1.09 -0.00 -0.75 121.20 122.81 2aqp s ILE 80 Ca -0.07 1.80 0.07 0.00 -2.23 0.00 0.00 60.65 60.22 2aqp s ILE 80 Cb -0.02 -4.20 -0.03 0.00 -1.58 0.00 0.00 42.46 36.62 2aqp s ILE 80 CO -0.03 0.22 0.22 -1.00 -1.23 0.00 0.00 174.94 173.12 2aqp s HIS 81 N 0.80 2.98 0.14 3.97 3.76 0.76 -0.73 115.29 126.98 2aqp s HIS 81 Ca 0.45 -0.21 -0.14 0.00 -0.15 0.00 0.00 55.06 55.01 2aqp s HIS 81 Cb -0.20 -1.57 0.01 0.00 1.11 0.00 0.00 32.58 31.94 2aqp s HIS 81 CO 0.24 0.38 1.65 1.05 -0.85 0.00 0.00 174.74 177.20 2aqp h GLU 82 N 1.41 0.74 -5.89 1.40 4.11 -0.88 -2.43 114.58 113.05 2aqp h GLU 82 Ca -0.46 -0.18 -0.63 0.00 0.07 0.00 0.00 59.36 58.16 2aqp h GLU 82 Cb 1.25 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 2aqp h GLU 82 CO 0.60 0.73 -0.39 -0.80 0.07 0.00 0.00 179.01 179.22 2aqp s ASN 83 N -6.08 6.49 -1.53 3.06 0.01 -0.21 -4.54 114.94 112.13 2aqp s ASN 83 Ca -0.13 0.55 -0.11 0.00 -0.71 0.00 0.00 52.86 52.46 2aqp s ASN 83 Cb 0.11 -2.09 -0.02 0.00 0.41 0.00 0.00 41.25 39.67 2aqp s ASN 83 CO 0.78 0.26 2.59 -0.81 -1.51 0.00 0.00 177.10 178.42 2aqp n PRO 84 N 1.17 3.39 -3.77 -0.60 -0.04 -1.24 -3.19 135.00 130.72 2aqp n PRO 84 Ca -0.12 -2.48 -0.13 0.00 -0.04 0.00 0.00 63.50 60.74 2aqp n PRO 84 Cb 0.53 -3.00 -0.11 0.00 -0.04 0.00 0.00 33.50 30.88 2aqp n PRO 84 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2aqp s SER 85 N 2.46 -0.28 -0.06 3.54 0.15 -1.26 -4.98 113.70 113.27 2aqp s SER 85 Ca 0.58 0.49 0.08 0.00 0.70 0.00 0.00 55.95 57.81 2aqp s SER 85 Cb 0.16 0.55 0.13 0.00 -1.71 0.00 0.00 66.02 65.15 2aqp s SER 85 CO -0.07 -0.17 1.06 0.00 1.20 0.00 0.00 173.24 175.26 2aqp s GLU 87 N -1.79 2.85 0.73 0.00 0.41 -1.26 -4.01 118.70 115.63 2aqp s GLU 87 Ca 0.14 1.49 -0.12 0.00 -0.41 0.00 0.00 54.97 56.07 2aqp s GLU 87 Cb 0.12 -1.95 0.03 0.00 -1.78 0.00 0.00 34.13 30.55 2aqp s GLU 87 CO 0.01 -1.23 1.12 -1.25 -0.49 0.00 0.00 175.26 173.42 2aqp s PRO 88 N -3.89 2.65 0.02 0.39 0.04 -1.26 -0.27 135.00 132.68 2aqp s PRO 88 Ca 0.69 0.37 -0.03 0.00 0.04 0.00 0.00 61.00 62.08 2aqp s PRO 88 Cb -0.22 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 2aqp s PRO 88 CO 0.39 -1.17 0.03 0.15 0.04 0.00 0.00 177.00 176.44 2aqp s LYS 89 N -5.41 0.42 0.17 4.56 -0.14 -0.91 -4.47 119.74 113.96 2aqp s LYS 89 Ca 0.59 -0.65 -0.30 0.00 -1.36 0.00 0.00 55.97 54.25 2aqp s LYS 89 Cb -0.11 0.16 -0.08 0.00 -1.68 0.00 0.00 37.83 36.12 2aqp s LYS 89 CO 0.51 -0.09 1.22 -2.00 -0.76 0.00 0.00 175.35 174.24 2aqp s GLU 90 N -1.86 4.46 -0.09 1.68 -6.30 -1.26 -1.13 118.70 114.20 2aqp s GLU 90 Ca -0.12 1.90 -0.04 0.00 -2.50 0.00 0.00 54.97 54.21 2aqp s GLU 90 Cb -0.06 -3.24 0.05 0.00 0.00 0.00 0.00 34.13 30.87 2aqp s GLU 90 CO -0.02 -0.14 0.19 0.21 0.02 0.00 0.00 175.26 175.52 2aqp s LYS 91 N -0.04 0.12 -1.56 4.30 2.20 -0.05 -4.89 119.74 119.81 2aqp s LYS 91 Ca 0.54 0.51 -0.14 0.00 -0.36 0.00 0.00 55.97 56.52 2aqp s LYS 91 Cb -0.33 -0.16 0.10 0.00 -1.51 0.00 0.00 37.83 35.92 2aqp s LYS 91 CO 0.36 -0.21 0.92 0.39 -0.36 0.00 0.00 175.35 176.44 2aqp n GLU 92 N 4.61 -4.93 -0.86 4.03 1.02 -1.26 -1.71 120.64 121.53 2aqp n GLU 92 Ca -0.19 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 2aqp n GLU 92 Cb 0.51 -5.37 0.00 0.00 -0.02 0.00 0.00 31.44 26.57 2aqp n GLU 92 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2aqp n GLY 93 N -1.63 0.65 3.01 0.62 0.00 -1.26 -5.01 105.19 101.56 2aqp n GLY 93 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 2aqp n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aqp s LYS 94 N -0.14 1.69 -0.40 1.61 1.02 -0.70 -5.09 119.74 117.73 2aqp s LYS 94 Ca 0.00 -0.40 -0.29 0.00 0.02 0.00 0.00 55.97 55.30 2aqp s LYS 94 Cb 0.00 -1.42 0.01 0.00 -0.52 0.00 0.00 37.83 35.90 2aqp s LYS 94 CO 0.00 0.00 1.32 -1.17 -0.92 0.00 0.00 175.35 174.59 2aqp s LEU 95 N 0.75 3.67 -0.20 3.17 2.96 -1.26 -0.88 118.68 126.89 2aqp s LEU 95 Ca -0.13 0.84 -0.04 0.00 -0.22 0.00 0.00 54.13 54.58 2aqp s LEU 95 Cb -0.16 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 2aqp s LEU 95 CO 0.03 -1.31 -0.02 -0.89 -1.32 0.00 0.00 176.35 172.84 2aqp s THR 96 N 4.96 3.80 0.10 3.68 2.01 -0.29 -4.88 115.64 125.03 2aqp s THR 96 Ca 0.57 -0.37 -0.36 0.00 0.31 0.00 0.00 61.69 61.85 2aqp s THR 96 Cb -0.13 -2.71 -0.16 0.00 0.01 0.00 0.00 72.50 69.51 2aqp s THR 96 CO 0.30 0.44 1.44 0.00 -0.69 0.00 0.00 174.62 176.11 2aqp n ALA 97 N 4.26 -0.10 -0.88 7.40 0.00 -1.26 -2.14 120.51 127.79 2aqp n ALA 97 Ca -0.17 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2aqp n ALA 97 Cb 0.52 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.78 2aqp n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aqp n GLY 98 N 2.90 0.56 0.30 0.00 0.00 -1.24 -4.51 105.19 103.21 2aqp n GLY 98 Ca 0.18 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.39 2aqp n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2aqp h LEU 99 N 0.00 0.00 -2.57 0.99 3.38 -1.45 -2.02 115.31 113.64 2aqp h LEU 99 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2aqp h LEU 99 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2aqp h LEU 99 CO 0.00 0.01 0.00 1.23 0.09 0.00 0.00 178.44 179.77 2aqp h GLY 100 N 1.37 0.00 2.00 0.83 0.00 -0.86 -1.76 103.07 104.66 2aqp h GLY 100 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2aqp h GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2aqp n ALA 101 N -2.02 1.89 -0.49 3.60 0.00 -0.76 -4.58 120.51 118.15 2aqp n ALA 101 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2aqp n ALA 101 Cb 0.08 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.16 2aqp n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aqp n GLY 102 N 0.50 -0.15 2.79 0.00 0.00 -0.66 -1.05 105.19 106.62 2aqp n GLY 102 Ca 0.04 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.86 2aqp n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqp n GLY 103 N 0.00 0.17 3.72 -0.02 0.00 -1.26 -4.67 105.19 103.13 2aqp n GLY 103 Ca 0.00 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 2aqp n GLY 103 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2aqp n HIS 104 N -2.66 2.67 -1.73 1.61 8.25 -1.26 -0.87 115.22 121.24 2aqp n HIS 104 Ca 0.12 0.26 -0.42 0.00 -0.26 0.00 0.00 57.72 57.42 2aqp n HIS 104 Cb 0.42 -2.58 -0.03 0.00 1.12 0.00 0.00 29.99 28.93 2aqp n HIS 104 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2aqp s TRP 105 N 0.19 1.64 -0.37 4.41 -0.00 0.10 -4.59 118.94 120.32 2aqp s TRP 105 Ca 0.67 -0.25 0.13 0.00 -0.00 0.00 0.00 56.10 56.65 2aqp s TRP 105 Cb -0.54 -4.19 0.36 0.00 -0.00 0.00 0.00 33.47 29.11 2aqp s TRP 105 CO 0.46 -5.15 0.76 -3.47 -0.00 0.00 0.00 176.95 169.55 2aqp n ASP 106 N 6.89 0.92 0.28 5.86 2.03 -1.26 -1.20 116.55 130.07 2aqp n ASP 106 Ca 0.19 -2.98 0.17 0.00 0.52 0.00 0.00 54.79 52.68 2aqp n ASP 106 Cb 0.40 -0.61 0.76 0.00 -0.72 0.00 0.00 41.12 40.96 2aqp n ASP 106 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2aqp h PRO 107 N 3.00 0.00 -0.02 -0.67 0.13 -1.98 -1.58 132.00 130.89 2aqp h PRO 107 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2aqp h PRO 107 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2aqp h PRO 107 CO 0.50 0.05 0.00 1.63 -0.23 0.00 0.00 178.00 179.95 2aqp n LYS 108 N -3.22 1.67 -3.36 0.86 4.76 -1.26 -4.97 118.16 112.64 2aqp n LYS 108 Ca -0.01 -0.98 -0.19 0.00 -2.87 0.00 0.00 58.31 54.27 2aqp n LYS 108 Cb 0.27 -1.48 0.07 0.00 -1.84 0.00 0.00 35.03 32.05 2aqp n LYS 108 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2aqp n GLY 109 N 1.18 -0.27 0.27 0.72 0.00 -0.59 -4.93 105.19 101.57 2aqp n GLY 109 Ca 0.19 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2aqp n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqp h ALA 110 N 0.82 1.40 -4.10 4.61 0.00 -1.87 -3.47 119.26 116.65 2aqp h ALA 110 Ca -0.47 -0.19 -0.38 0.00 0.00 0.00 0.00 54.91 53.87 2aqp h ALA 110 Cb 1.30 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.95 2aqp h ALA 110 CO 0.45 0.42 -0.54 1.63 0.00 0.00 0.00 179.25 181.21 2aqp n LYS 111 N -4.29 -3.39 -3.54 0.00 5.02 -1.26 -4.90 118.16 105.80 2aqp n LYS 111 Ca 0.01 0.84 -0.17 0.00 -2.02 0.00 0.00 58.31 56.97 2aqp n LYS 111 Cb 0.23 -5.58 -0.06 0.00 -0.02 0.00 0.00 35.03 29.60 2aqp n LYS 111 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2aqp s GLN 112 N -5.46 0.99 0.11 1.97 -2.07 -1.26 -5.07 119.66 108.88 2aqp s GLN 112 Ca 0.19 0.33 -0.20 0.00 -1.82 0.00 0.00 55.36 53.86 2aqp s GLN 112 Cb -0.09 0.47 -0.07 0.00 -1.09 0.00 0.00 33.01 32.23 2aqp s GLN 112 CO 0.23 -0.29 0.63 -1.58 -1.32 0.00 0.00 175.29 172.95 2aqp s HIS 113 N -1.00 3.80 0.00 9.60 5.65 -1.26 -1.17 115.29 130.90 2aqp s HIS 113 Ca -0.09 1.34 0.00 0.00 0.25 0.00 0.00 55.06 56.56 2aqp s HIS 113 Cb -0.01 -2.56 0.00 0.00 -1.18 0.00 0.00 32.58 28.84 2aqp s HIS 113 CO 0.08 0.53 0.00 0.41 -0.65 0.00 0.00 174.74 175.12 2aqp n GLY 114 N 1.51 3.31 3.86 1.59 0.00 -1.26 -4.13 105.19 110.07 2aqp n GLY 114 Ca -0.08 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 2aqp n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aqp s TYR 115 N -1.62 3.49 0.57 1.61 2.02 -1.25 -4.59 117.35 117.58 2aqp s TYR 115 Ca 0.00 1.27 0.27 0.00 -0.37 0.00 0.00 57.07 58.24 2aqp s TYR 115 Cb 0.00 -2.65 1.69 0.00 -0.40 0.00 0.00 41.96 40.60 2aqp s TYR 115 CO 0.00 -0.34 2.23 -1.35 -1.57 0.00 0.00 175.55 174.52 2aqp h PRO 116 N 0.77 0.00 -0.55 -1.71 0.11 -1.85 -2.35 132.00 126.42 2aqp h PRO 116 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2aqp h PRO 116 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2aqp h PRO 116 CO 0.62 0.01 0.00 -2.67 -0.21 0.00 0.00 178.00 175.75 2aqp n TRP 117 N -3.98 1.53 -3.64 0.65 2.14 -1.26 -4.26 117.44 108.62 2aqp n TRP 117 Ca -0.03 -0.68 -0.38 0.00 2.07 0.00 0.00 57.50 58.48 2aqp n TRP 117 Cb 0.09 -0.32 -0.12 0.00 -0.81 0.00 0.00 31.31 30.15 2aqp n TRP 117 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2aqp s GLN 118 N -2.22 3.48 0.47 -2.67 0.74 -0.89 -4.99 119.66 113.58 2aqp s GLN 118 Ca 0.49 -0.63 0.26 0.00 0.05 0.00 0.00 55.36 55.54 2aqp s GLN 118 Cb 0.35 -3.58 1.02 0.00 1.10 0.00 0.00 33.01 31.89 2aqp s GLN 118 CO 0.19 -0.36 1.86 -0.44 -0.55 0.00 0.00 175.29 176.00 2aqp h ASP 119 N 8.36 0.00 -0.84 6.67 3.32 -1.91 -2.92 116.42 129.10 2aqp h ASP 119 Ca -0.33 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.18 2aqp h ASP 119 Cb 1.16 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.42 2aqp h ASP 119 CO 0.60 0.18 0.33 -0.90 -1.72 0.00 0.00 179.24 177.73 2aqp n ASP 120 N -3.34 5.48 -4.72 6.45 5.75 -1.26 -4.92 116.55 119.99 2aqp n ASP 120 Ca 0.00 -3.75 -0.22 0.00 -0.01 0.00 0.00 54.79 50.81 2aqp n ASP 120 Cb 0.40 -0.77 -0.06 0.00 -1.03 0.00 0.00 41.12 39.66 2aqp n ASP 120 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2aqp s ALA 121 N -3.58 3.34 0.04 2.12 0.00 -1.10 -4.65 121.76 117.92 2aqp s ALA 121 Ca 0.57 -1.55 -0.38 0.00 0.00 0.00 0.00 51.96 50.60 2aqp s ALA 121 Cb 0.47 -1.00 -0.17 0.00 0.00 0.00 0.00 23.12 22.42 2aqp s ALA 121 CO 0.02 0.26 1.31 0.72 0.00 0.00 0.00 175.76 178.07 2aqp n HIS 122 N -1.02 1.36 0.29 0.00 8.25 -0.32 -4.79 115.22 118.98 2aqp n HIS 122 Ca -0.07 0.73 0.17 0.00 -0.26 0.00 0.00 57.72 58.29 2aqp n HIS 122 Cb 0.59 -2.29 0.96 0.00 1.12 0.00 0.00 29.99 30.37 2aqp n HIS 122 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2aqp h LEU 123 N 4.38 0.00 -0.19 2.41 5.85 -1.89 -2.02 115.31 123.85 2aqp h LEU 123 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2aqp h LEU 123 Cb 1.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.39 2aqp h LEU 123 CO 0.76 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 179.47 2aqp n GLY 124 N -1.28 -0.78 3.58 3.75 0.00 -0.34 -4.81 105.19 105.31 2aqp n GLY 124 Ca -0.02 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2aqp n GLY 124 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aqp s ASP 125 N -1.57 6.29 0.37 1.61 1.01 -0.76 -0.82 116.67 122.80 2aqp s ASP 125 Ca 0.28 0.21 0.06 0.00 0.71 0.00 0.00 52.55 53.81 2aqp s ASP 125 Cb 0.13 -2.55 -0.00 0.00 1.01 0.00 0.00 42.92 41.51 2aqp s ASP 125 CO 0.22 -1.59 0.52 -0.76 0.21 0.00 0.00 175.17 173.78 2aqp s LEU 126 N 5.49 3.85 0.59 1.23 1.43 -1.10 -4.05 118.68 126.11 2aqp s LEU 126 Ca 0.48 -0.17 -0.20 0.00 -1.03 0.00 0.00 54.13 53.21 2aqp s LEU 126 Cb -0.09 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 2aqp s LEU 126 CO 0.25 -0.55 1.30 -2.84 0.23 0.00 0.00 176.35 174.74 2aqp s PRO 127 N -4.28 2.92 0.71 1.29 0.02 -1.26 -4.67 135.00 129.73 2aqp s PRO 127 Ca 0.48 2.09 -0.15 0.00 0.02 0.00 0.00 61.00 63.43 2aqp s PRO 127 Cb -0.10 -2.06 0.03 0.00 0.02 0.00 0.00 34.50 32.39 2aqp s PRO 127 CO 0.33 -1.32 1.19 0.00 -0.33 0.00 0.00 177.00 176.87 2aqp s ALA 128 N -1.39 2.21 -0.23 -1.55 0.00 -1.26 -4.53 121.76 115.00 2aqp s ALA 128 Ca 0.76 0.84 -0.10 0.00 0.00 0.00 0.00 51.96 53.46 2aqp s ALA 128 Cb -0.37 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.26 2aqp s ALA 128 CO 0.42 -1.71 0.15 -1.17 0.00 0.00 0.00 175.76 173.45 2aqp s LEU 129 N -5.01 4.11 -0.43 0.00 2.96 -0.16 -4.89 118.68 115.26 2aqp s LEU 129 Ca 0.73 0.12 -0.20 0.00 -0.22 0.00 0.00 54.13 54.56 2aqp s LEU 129 Cb -0.28 -2.10 0.02 0.00 0.50 0.00 0.00 46.19 44.34 2aqp s LEU 129 CO 0.43 0.08 0.60 -0.89 -1.32 0.00 0.00 176.35 175.26 2aqp s THR 130 N 0.96 4.88 -0.27 3.68 2.01 -1.26 -0.76 115.64 124.88 2aqp s THR 130 Ca 0.07 0.03 -0.18 0.00 0.31 0.00 0.00 61.69 61.92 2aqp s THR 130 Cb -0.13 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 2aqp s THR 130 CO 0.04 -0.56 0.51 -0.69 -0.69 0.00 0.00 174.62 173.23 2aqp s VAL 131 N 2.68 5.07 1.01 3.82 1.01 0.20 -4.54 120.40 129.65 2aqp s VAL 131 Ca 0.21 0.83 -0.12 0.00 0.00 0.00 0.00 61.98 62.89 2aqp s VAL 131 Cb -0.15 -3.84 0.20 0.00 0.00 0.00 0.00 36.38 32.59 2aqp s VAL 131 CO 0.18 0.06 1.08 -0.76 0.00 0.00 0.00 175.10 175.66 2aqp s LEU 132 N 2.32 1.61 0.46 3.92 1.43 0.87 -1.31 118.68 127.98 2aqp s LEU 132 Ca 0.21 1.39 0.16 0.00 -1.03 0.00 0.00 54.13 54.86 2aqp s LEU 132 Cb -0.16 -3.57 1.11 0.00 0.03 0.00 0.00 46.19 43.60 2aqp s LEU 132 CO 0.10 -3.30 2.00 0.45 0.23 0.00 0.00 176.35 175.83 2aqp h HIS 133 N -2.00 0.32 -0.16 0.29 3.86 -1.97 -0.23 115.15 115.26 2aqp h HIS 133 Ca -0.55 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.67 2aqp h HIS 133 Cb 1.32 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.68 2aqp h HIS 133 CO 0.33 0.16 0.00 -0.40 0.86 0.00 0.00 177.93 178.87 2aqp n ASP 134 N -4.46 1.27 0.00 2.45 3.85 -1.26 -4.70 116.55 113.69 2aqp n ASP 134 Ca 0.08 -1.72 0.00 0.00 -0.71 0.00 0.00 54.79 52.44 2aqp n ASP 134 Cb 0.37 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 40.04 2aqp n ASP 134 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2aqp n GLY 135 N 1.01 0.73 3.95 6.12 0.00 -0.10 -4.70 105.19 112.20 2aqp n GLY 135 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 2aqp n GLY 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aqp s THR 136 N -2.53 5.13 -0.11 2.61 -4.23 -1.26 -1.91 115.64 113.34 2aqp s THR 136 Ca 0.00 -0.57 -0.04 0.00 -1.18 0.00 0.00 61.69 59.89 2aqp s THR 136 Cb 0.00 -3.86 0.05 0.00 1.34 0.00 0.00 72.50 70.03 2aqp s THR 136 CO 0.00 -0.51 0.22 0.00 -0.54 0.00 0.00 174.62 173.79 2aqp s ALA 137 N -2.25 -0.45 0.00 3.99 0.00 -0.47 -0.09 121.76 122.49 2aqp s ALA 137 Ca 0.39 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.20 2aqp s ALA 137 Cb -0.09 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.24 2aqp s ALA 137 CO 0.35 -0.42 0.04 0.25 0.00 0.00 0.00 175.76 175.97 2aqp n THR 138 N 4.84 0.00 -2.60 0.00 -2.24 -1.26 -1.27 114.28 111.76 2aqp n THR 138 Ca -0.15 -0.16 -0.43 0.00 -2.27 0.00 0.00 64.05 61.05 2aqp n THR 138 Cb 0.51 1.16 -0.02 0.00 -2.10 0.00 0.00 70.33 69.88 2aqp n THR 138 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2aqp s ASN 139 N -0.24 6.99 0.62 3.42 3.04 -1.26 -4.50 114.94 123.01 2aqp s ASN 139 Ca 0.00 1.30 -0.14 0.00 0.04 0.00 0.00 52.86 54.06 2aqp s ASN 139 Cb 0.00 -2.54 -0.02 0.00 -1.54 0.00 0.00 41.25 37.14 2aqp s ASN 139 CO 0.00 -0.79 1.05 -2.16 -3.04 0.00 0.00 177.10 172.17 2aqp s PRO 140 N 3.47 3.24 0.03 0.43 0.04 -1.26 -4.48 135.00 136.47 2aqp s PRO 140 Ca 0.47 1.10 0.02 0.00 0.04 0.00 0.00 61.00 62.63 2aqp s PRO 140 Cb -0.15 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 2aqp s PRO 140 CO 0.12 -0.87 -0.07 0.14 0.04 0.00 0.00 177.00 176.36 2aqp s VAL 141 N -2.67 0.51 -0.15 -0.36 -7.23 -0.46 -4.98 120.40 105.06 2aqp s VAL 141 Ca 0.61 -0.88 -0.07 0.00 -1.81 0.00 0.00 61.98 59.82 2aqp s VAL 141 Cb -0.15 -0.55 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 2aqp s VAL 141 CO 0.43 -0.27 0.11 -0.22 -0.31 0.00 0.00 175.10 174.83 2aqp s LEU 142 N -1.25 4.13 -0.69 1.32 2.96 -1.26 -0.88 118.68 123.01 2aqp s LEU 142 Ca -0.07 0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 54.06 2aqp s LEU 142 Cb -0.08 -2.03 0.18 0.00 0.50 0.00 0.00 46.19 44.76 2aqp s LEU 142 CO 0.00 0.29 0.54 0.00 -1.32 0.00 0.00 176.35 175.86 2aqp s ALA 143 N -0.31 3.73 0.22 5.97 0.00 0.07 -4.55 121.76 126.89 2aqp s ALA 143 Ca 0.10 -3.28 0.36 0.00 0.00 0.00 0.00 51.96 49.14 2aqp s ALA 143 Cb -0.12 -2.92 1.64 0.00 0.00 0.00 0.00 23.12 21.73 2aqp s ALA 143 CO 0.01 -2.16 2.07 -1.00 0.00 0.00 0.00 175.76 174.69 2aqp h PRO 144 N 7.25 0.00 -0.00 0.00 0.13 -1.78 -2.01 132.00 135.59 2aqp h PRO 144 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2aqp h PRO 144 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2aqp h PRO 144 CO 0.73 0.00 -0.15 0.54 -0.23 0.00 0.00 178.00 178.89 2aqp n ARG 145 N -3.03 0.44 -3.64 0.86 1.74 -1.26 -4.59 116.66 107.18 2aqp n ARG 145 Ca -0.00 -0.15 -0.37 0.00 -0.77 0.00 0.00 57.85 56.56 2aqp n ARG 145 Cb 0.23 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.07 2aqp n ARG 145 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2aqp s LEU 146 N -2.66 4.08 -0.05 0.55 1.43 -0.77 -4.99 118.68 116.26 2aqp s LEU 146 Ca 0.23 0.07 0.09 0.00 -1.03 0.00 0.00 54.13 53.50 2aqp s LEU 146 Cb 0.19 -2.11 -0.14 0.00 0.03 0.00 0.00 46.19 44.17 2aqp s LEU 146 CO 0.52 0.03 0.13 0.29 0.23 0.00 0.00 176.35 177.55 2aqp n LYS 147 N 4.50 1.37 -4.34 1.70 4.76 -1.26 -0.83 118.16 124.06 2aqp n LYS 147 Ca -0.15 -0.05 -0.19 0.00 -2.87 0.00 0.00 58.31 55.05 2aqp n LYS 147 Cb 0.52 -1.24 -0.15 0.00 -1.84 0.00 0.00 35.03 32.32 2aqp n LYS 147 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2aqp s HIS 148 N -2.47 0.84 0.28 2.13 3.76 -1.26 -4.76 115.29 113.81 2aqp s HIS 148 Ca -0.04 -0.19 0.01 0.00 -0.15 0.00 0.00 55.06 54.68 2aqp s HIS 148 Cb 0.05 -0.59 0.56 0.00 1.11 0.00 0.00 32.58 33.70 2aqp s HIS 148 CO 0.40 -0.07 1.80 -0.07 -0.85 0.00 0.00 174.74 175.95 2aqp h LEU 149 N 6.27 0.76 -2.63 0.89 3.38 -1.95 -1.21 115.31 120.82 2aqp h LEU 149 Ca -0.32 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 2aqp h LEU 149 Cb 1.17 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 2aqp h LEU 149 CO 0.49 0.36 -0.01 0.44 0.09 0.00 0.00 178.44 179.82 2aqp h ASP 150 N 0.82 0.00 0.44 -0.43 3.45 -1.98 -2.42 116.42 116.31 2aqp h ASP 150 Ca 0.49 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.87 2aqp h ASP 150 Cb 0.59 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.35 2aqp h ASP 150 CO -0.31 0.01 -0.38 0.44 -1.57 0.00 0.00 179.24 177.42 2aqp h ASP 151 N 0.00 0.00 0.07 6.45 3.45 -1.64 -2.95 116.42 121.79 2aqp h ASP 151 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2aqp h ASP 151 Cb 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.88 2aqp h ASP 151 CO 0.00 0.38 -0.48 1.33 -1.57 0.00 0.00 179.24 178.91 2aqp n VAL 152 N -3.98 0.00 -1.93 -1.35 0.24 -0.91 -4.94 118.33 105.46 2aqp n VAL 152 Ca -0.02 -0.19 -0.40 0.00 -2.04 0.00 0.00 64.34 61.69 2aqp n VAL 152 Cb 0.43 0.98 0.00 0.00 -1.47 0.00 0.00 33.84 33.78 2aqp n VAL 152 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2aqp s ARG 153 N -2.56 3.93 0.00 7.34 0.52 -1.12 -3.12 118.95 123.94 2aqp s ARG 153 Ca 0.19 2.32 0.00 0.00 -0.52 0.00 0.00 55.73 57.72 2aqp s ARG 153 Cb 0.18 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.87 2aqp s ARG 153 CO 0.59 -0.59 0.00 0.41 0.02 0.00 0.00 175.30 175.74 2aqp n GLY 154 N 0.61 0.60 0.00 -3.53 0.00 -0.11 -5.01 105.19 97.75 2aqp n GLY 154 Ca 0.03 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2aqp n GLY 154 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2aqp n HIS 155 N -2.76 0.00 -4.19 1.61 8.25 -1.18 -3.66 115.22 113.28 2aqp n HIS 155 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 2aqp n HIS 155 Cb 0.05 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.06 2aqp n HIS 155 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2aqp s SER 156 N -0.35 1.36 -0.08 0.41 1.04 -0.91 -0.74 113.70 114.43 2aqp s SER 156 Ca 0.00 -0.94 0.04 0.00 0.48 0.00 0.00 55.95 55.53 2aqp s SER 156 Cb 0.00 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 2aqp s SER 156 CO 0.00 -0.37 -0.21 -0.51 0.98 0.00 0.00 173.24 173.13 2aqp s ILE 157 N -3.17 2.43 -0.05 -1.02 2.07 0.11 -0.17 121.20 121.39 2aqp s ILE 157 Ca 0.11 -0.92 0.05 0.00 -1.41 0.00 0.00 60.65 58.47 2aqp s ILE 157 Cb 0.02 -1.93 -0.00 0.00 0.13 0.00 0.00 42.46 40.67 2aqp s ILE 157 CO -0.02 0.56 -0.20 -0.32 -1.91 0.00 0.00 174.94 173.05 2aqp s MET 158 N -0.05 2.13 -0.19 3.50 -2.45 0.07 -1.17 119.30 121.14 2aqp s MET 158 Ca -0.05 -0.71 -0.02 0.00 -1.25 0.00 0.00 55.69 53.65 2aqp s MET 158 Cb -0.14 -1.80 -0.00 0.00 1.25 0.00 0.00 34.83 34.14 2aqp s MET 158 CO 0.05 0.27 -0.10 0.42 1.05 0.00 0.00 175.02 176.70 2aqp s ILE 159 N 0.03 2.95 0.43 10.11 1.01 0.27 -1.65 121.20 134.36 2aqp s ILE 159 Ca -0.06 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 59.95 2aqp s ILE 159 Cb -0.13 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 2aqp s ILE 159 CO 0.03 0.48 0.65 -1.00 0.00 0.00 0.00 174.94 175.10 2aqp s HIS 160 N 1.18 3.27 0.11 3.97 3.76 0.19 -0.74 115.29 127.03 2aqp s HIS 160 Ca 0.02 0.25 -0.13 0.00 -0.15 0.00 0.00 55.06 55.05 2aqp s HIS 160 Cb -0.14 -2.25 -0.08 0.00 1.11 0.00 0.00 32.58 31.21 2aqp s HIS 160 CO -0.04 -0.29 1.41 1.15 -0.85 0.00 0.00 174.74 176.13 2aqp h THR 161 N 0.45 1.29 -3.56 1.30 2.02 -1.07 -3.38 112.91 109.96 2aqp h THR 161 Ca -0.47 -1.60 -0.19 0.00 0.77 0.00 0.00 66.41 64.92 2aqp h THR 161 Cb 1.25 1.59 0.05 0.00 -1.74 0.00 0.00 68.15 69.30 2aqp h THR 161 CO 0.58 0.52 0.11 0.61 0.37 0.00 0.00 175.52 177.71 2aqp n GLY 162 N 0.26 -0.23 0.00 2.16 0.00 0.17 -4.89 105.19 102.67 2aqp n GLY 162 Ca -0.04 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.13 2aqp n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqp n GLY 163 N 1.49 1.03 3.02 -0.02 0.00 -1.25 -0.73 105.19 108.72 2aqp n GLY 163 Ca 0.07 -1.69 -0.03 0.00 0.00 0.00 0.00 46.02 44.37 2aqp n GLY 163 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aqp s ASP 164 N -1.00 -0.50 -0.00 1.61 -1.08 -1.23 -3.03 116.67 111.45 2aqp s ASP 164 Ca 0.00 0.01 0.06 0.00 -0.52 0.00 0.00 52.55 52.10 2aqp s ASP 164 Cb 0.00 1.53 0.18 0.00 -1.46 0.00 0.00 42.92 43.18 2aqp s ASP 164 CO 0.00 -0.32 1.15 -0.46 0.52 0.00 0.00 175.17 176.06 2aqp n ASN 165 N 5.39 1.13 -3.03 -0.34 6.94 -0.61 -4.92 115.26 119.82 2aqp n ASN 165 Ca 0.01 -2.00 -0.23 0.00 -0.02 0.00 0.00 54.58 52.35 2aqp n ASN 165 Cb 0.51 -0.14 0.04 0.00 -2.36 0.00 0.00 39.78 37.83 2aqp n ASN 165 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2aqp n HIS 166 N 0.11 -2.01 -3.78 -2.53 8.25 -1.26 -4.98 115.22 109.02 2aqp n HIS 166 Ca 0.07 0.54 -0.10 0.00 -0.26 0.00 0.00 57.72 57.98 2aqp n HIS 166 Cb 0.18 -4.55 -0.05 0.00 1.12 0.00 0.00 29.99 26.69 2aqp n HIS 166 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2aqp s SER 167 N -2.73 -0.16 -0.02 0.41 0.15 -1.26 -3.96 113.70 106.13 2aqp s SER 167 Ca 0.31 -0.55 0.11 0.00 0.70 0.00 0.00 55.95 56.52 2aqp s SER 167 Cb -0.14 0.51 0.36 0.00 -1.71 0.00 0.00 66.02 65.04 2aqp s SER 167 CO 0.39 -0.95 1.26 0.47 1.20 0.00 0.00 173.24 175.61 2aqp n ASP 168 N -0.27 2.33 -3.88 5.45 8.00 -1.26 -0.46 116.55 126.46 2aqp n ASP 168 Ca -0.11 -2.09 -0.21 0.00 0.71 0.00 0.00 54.79 53.09 2aqp n ASP 168 Cb 0.63 -0.32 -0.17 0.00 -0.02 0.00 0.00 41.12 41.24 2aqp n ASP 168 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2aqp s HIS 169 N -1.56 0.84 -0.83 1.24 3.76 -1.26 -3.41 115.29 114.06 2aqp s HIS 169 Ca 0.26 -0.26 0.26 0.00 -0.15 0.00 0.00 55.06 55.18 2aqp s HIS 169 Cb 0.15 -0.76 0.76 0.00 1.11 0.00 0.00 32.58 33.85 2aqp s HIS 169 CO 0.16 -0.24 1.64 -0.35 -0.85 0.00 0.00 174.74 175.10 2aqp n PRO 170 N 4.28 0.15 -4.72 8.40 -0.04 -1.26 -4.98 135.00 136.82 2aqp n PRO 170 Ca -0.21 0.09 -0.30 0.00 -0.04 0.00 0.00 63.50 63.04 2aqp n PRO 170 Cb 0.51 -1.64 -0.14 0.00 -0.04 0.00 0.00 33.50 32.19 2aqp n PRO 170 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2aqp s ALA 171 N -3.07 2.42 0.51 0.55 0.00 -1.24 -5.09 121.76 115.85 2aqp s ALA 171 Ca 0.11 -1.27 -0.23 0.00 0.00 0.00 0.00 51.96 50.57 2aqp s ALA 171 Cb 0.15 -0.58 -0.06 0.00 0.00 0.00 0.00 23.12 22.63 2aqp s ALA 171 CO 0.63 0.55 1.30 -0.35 0.00 0.00 0.00 175.76 177.89 2aqp n PRO 172 N 1.54 1.72 -3.70 0.00 -0.04 -1.22 -3.39 135.00 129.92 2aqp n PRO 172 Ca -0.17 0.63 -0.26 0.00 -0.04 0.00 0.00 63.50 63.66 2aqp n PRO 172 Cb 0.52 -2.49 0.06 0.00 -0.04 0.00 0.00 33.50 31.55 2aqp n PRO 172 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2aqp n LEU 173 N -0.60 -3.13 0.00 1.53 4.77 -1.25 -1.77 117.00 116.55 2aqp n LEU 173 Ca 0.09 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 2aqp n LEU 173 Cb 0.43 -2.88 0.00 0.00 -2.33 0.00 0.00 43.42 38.65 2aqp n LEU 173 CO 0.55 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 2aqp n GLY 174 N -1.89 0.63 1.73 -0.72 0.00 0.39 -2.57 105.19 102.76 2aqp n GLY 174 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2aqp n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqp n GLY 175 N -2.01 0.52 0.28 -0.02 0.00 -0.73 -1.57 105.19 101.66 2aqp n GLY 175 Ca 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 2aqp n GLY 175 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2aqp h GLY 176 N 0.00 0.70 0.00 -0.02 0.00 -1.41 -3.31 103.07 99.03 2aqp h GLY 176 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2aqp h GLY 176 CO 0.00 0.42 0.00 0.61 0.00 0.00 0.00 176.54 177.57 2aqp n GLY 177 N -0.72 2.05 3.56 4.60 0.00 -1.26 -0.65 105.19 112.76 2aqp n GLY 177 Ca 0.02 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 2aqp n GLY 177 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2aqp s PRO 178 N 0.00 -0.22 -0.36 1.61 0.02 -1.26 -4.75 135.00 130.04 2aqp s PRO 178 Ca 0.00 1.06 -0.13 0.00 0.02 0.00 0.00 61.00 61.95 2aqp s PRO 178 Cb 0.00 -1.62 -0.01 0.00 0.02 0.00 0.00 34.50 32.90 2aqp s PRO 178 CO 0.00 -3.32 0.24 1.03 -0.33 0.00 0.00 177.00 174.62 2aqp s ARG 179 N -4.55 3.32 -0.16 5.54 0.52 -1.26 -0.98 118.95 121.38 2aqp s ARG 179 Ca 0.68 -0.77 -0.14 0.00 -0.52 0.00 0.00 55.73 54.98 2aqp s ARG 179 Cb -0.24 -3.82 -0.23 0.00 0.52 0.00 0.00 34.95 31.18 2aqp s ARG 179 CO 0.62 -0.53 0.29 -0.12 0.02 0.00 0.00 175.30 175.59 2aqp n MET 180 N 5.10 0.67 -3.78 3.54 0.00 0.08 -4.76 117.12 117.97 2aqp n MET 180 Ca -0.12 0.41 -0.10 0.00 -0.00 0.00 0.00 57.70 57.88 2aqp n MET 180 Cb 0.49 -1.73 -0.07 0.00 0.00 0.00 0.00 33.22 31.91 2aqp n MET 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2aqp s ALA 181 N -2.47 -0.53 -0.03 -5.12 0.00 -0.69 -1.03 121.76 111.90 2aqp s ALA 181 Ca -0.25 -0.26 -0.28 0.00 0.00 0.00 0.00 51.96 51.16 2aqp s ALA 181 Cb 0.06 0.44 0.06 0.00 0.00 0.00 0.00 23.12 23.69 2aqp s ALA 181 CO 0.69 -0.48 0.62 0.00 0.00 0.00 0.00 175.76 176.59 2aqp s GLY 183 N -1.35 0.42 -0.20 0.00 0.00 -0.31 -1.46 107.32 104.42 2aqp s GLY 183 Ca -0.10 -1.11 -0.11 0.00 0.00 0.00 0.00 44.72 43.39 2aqp s GLY 183 CO 0.07 -1.23 0.18 0.14 0.00 0.00 0.00 173.10 172.26 2aqp s VAL 184 N -3.91 5.38 -0.34 1.40 1.01 -1.26 -0.71 120.40 121.96 2aqp s VAL 184 Ca 0.07 0.28 -0.20 0.00 0.00 0.00 0.00 61.98 62.14 2aqp s VAL 184 Cb 0.07 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.94 2aqp s VAL 184 CO -0.10 0.41 0.61 -0.63 0.00 0.00 0.00 175.10 175.40 2aqp s ILE 185 N 0.48 4.92 0.00 2.22 1.01 0.08 -4.70 121.20 125.22 2aqp s ILE 185 Ca 0.10 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.37 2aqp s ILE 185 Cb -0.12 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.32 2aqp s ILE 185 CO 0.00 -0.25 0.20 0.29 0.00 0.00 0.00 174.94 175.18