#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqt s SER 33 N 0.00 -0.21 -0.18 0.00 1.04 -1.26 -4.41 113.70 108.68 2aqt s SER 33 Ca 0.00 -0.51 0.01 0.00 0.48 0.00 0.00 55.95 55.93 2aqt s SER 33 Cb 0.00 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.68 2aqt s SER 33 CO 0.00 -0.98 -0.16 -0.63 0.98 0.00 0.00 173.24 172.44 2aqt s ILE 34 N -3.87 1.85 -0.34 -1.02 1.01 0.38 -4.95 121.20 114.26 2aqt s ILE 34 Ca 0.09 -0.90 -0.14 0.00 0.00 0.00 0.00 60.65 59.71 2aqt s ILE 34 Cb 0.00 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 2aqt s ILE 34 CO -0.04 0.43 0.28 -0.70 0.00 0.00 0.00 174.94 174.90 2aqt s GLU 35 N 1.36 3.55 -0.26 2.79 2.12 -1.26 0.08 118.70 127.07 2aqt s GLU 35 Ca 0.03 -0.54 -0.09 0.00 0.36 0.00 0.00 54.97 54.73 2aqt s GLU 35 Cb -0.14 -3.80 -0.04 0.00 0.26 0.00 0.00 34.13 30.41 2aqt s GLU 35 CO -0.11 -0.45 0.13 0.08 -0.54 0.00 0.00 175.26 174.37 2aqt s VAL 36 N 1.83 4.87 -0.11 3.70 1.01 -0.38 -4.96 120.40 126.37 2aqt s VAL 36 Ca 0.08 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 2aqt s VAL 36 Cb -0.17 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 2aqt s VAL 36 CO 0.11 0.31 1.04 -0.54 0.00 0.00 0.00 175.10 176.02 2aqt s LYS 37 N 1.56 4.40 -0.11 2.72 3.01 -1.26 -1.53 119.74 128.53 2aqt s LYS 37 Ca 0.06 1.44 -0.02 0.00 -1.01 0.00 0.00 55.97 56.45 2aqt s LYS 37 Cb -0.15 -3.55 -0.03 0.00 -1.01 0.00 0.00 37.83 33.09 2aqt s LYS 37 CO 0.07 -0.36 -0.03 0.08 0.51 0.00 0.00 175.35 175.61 2aqt s VAL 38 N 2.13 3.97 0.03 3.17 1.01 -0.13 -4.36 120.40 126.23 2aqt s VAL 38 Ca 0.49 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 62.19 2aqt s VAL 38 Cb -0.19 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 2aqt s VAL 38 CO 0.18 0.55 -0.22 -1.10 0.00 0.00 0.00 175.10 174.52 2aqt s GLN 39 N -0.31 1.50 0.07 2.72 -0.21 -0.22 -1.73 119.66 121.48 2aqt s GLN 39 Ca 0.05 -0.93 -0.30 0.00 0.02 0.00 0.00 55.36 54.20 2aqt s GLN 39 Cb -0.12 -1.60 -0.06 0.00 1.00 0.00 0.00 33.01 32.23 2aqt s GLN 39 CO 0.02 0.41 1.17 -1.14 -2.12 0.00 0.00 175.29 173.64 2aqt s GLN 40 N -1.06 4.46 -0.02 2.91 0.74 0.52 -0.83 119.66 126.38 2aqt s GLN 40 Ca 0.08 1.74 -0.24 0.00 0.05 0.00 0.00 55.36 56.99 2aqt s GLN 40 Cb -0.09 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.63 2aqt s GLN 40 CO 0.01 -0.20 0.71 -0.51 -0.55 0.00 0.00 175.29 174.75 2aqt s LEU 41 N 0.88 4.37 -0.39 3.68 1.43 0.71 -2.14 118.68 127.21 2aqt s LEU 41 Ca 0.57 1.28 0.04 0.00 -1.03 0.00 0.00 54.13 54.99 2aqt s LEU 41 Cb -0.29 -3.12 0.16 0.00 0.03 0.00 0.00 46.19 42.97 2aqt s LEU 41 CO 0.30 -0.05 0.43 -0.62 0.23 0.00 0.00 176.35 176.64 2aqt s ASP 42 N 0.42 0.62 0.63 2.29 -1.08 -1.26 -4.94 116.67 113.35 2aqt s ASP 42 Ca 0.37 -1.57 0.36 0.00 -0.52 0.00 0.00 52.55 51.19 2aqt s ASP 42 Cb -0.19 0.79 2.01 0.00 -1.46 0.00 0.00 42.92 44.07 2aqt s ASP 42 CO 0.20 -0.23 2.22 -0.65 0.52 0.00 0.00 175.17 177.23 2aqt h PRO 43 N 6.83 0.00 0.00 4.34 0.11 -1.90 0.16 132.00 141.55 2aqt h PRO 43 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2aqt h PRO 43 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2aqt h PRO 43 CO 0.18 0.00 -0.01 0.28 -0.21 0.00 0.00 178.00 178.24 2aqt h VAL 44 N 0.00 0.00 -0.02 3.15 2.07 -1.94 -3.41 116.25 116.10 2aqt h VAL 44 Ca 0.02 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2aqt h VAL 44 Cb 0.22 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 2aqt h VAL 44 CO -0.00 0.00 -0.32 0.59 0.02 0.00 0.00 177.57 177.86 2aqt n ASN 45 N -3.72 2.08 0.00 0.57 3.02 -1.22 -5.07 115.26 110.92 2aqt n ASN 45 Ca -0.00 -1.54 0.00 0.00 -0.03 0.00 0.00 54.58 53.01 2aqt n ASN 45 Cb 0.00 0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 2aqt n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aqt n GLY 46 N 1.38 2.35 3.75 7.41 0.00 0.57 -5.05 105.19 115.59 2aqt n GLY 46 Ca 0.11 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 2aqt n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2aqt s ASN 47 N 0.00 4.68 -0.03 1.61 0.01 -1.24 -4.41 114.94 115.56 2aqt s ASN 47 Ca 0.00 2.14 0.03 0.00 -0.71 0.00 0.00 52.86 54.32 2aqt s ASN 47 Cb 0.00 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.10 2aqt s ASN 47 CO 0.00 -1.93 -0.11 -0.54 -1.51 0.00 0.00 177.10 173.01 2aqt s LYS 48 N -4.05 1.19 0.20 -0.60 1.02 -0.91 -4.95 119.74 111.64 2aqt s LYS 48 Ca 0.70 -0.38 -0.32 0.00 0.02 0.00 0.00 55.97 55.99 2aqt s LYS 48 Cb -0.24 -1.08 -0.11 0.00 -0.52 0.00 0.00 37.83 35.88 2aqt s LYS 48 CO 0.44 0.14 1.65 -0.51 -0.92 0.00 0.00 175.35 176.15 2aqt s ASP 49 N 0.18 6.46 0.00 2.83 -0.00 -1.26 -0.35 116.67 124.53 2aqt s ASP 49 Ca -0.04 2.77 0.03 0.00 -0.00 0.00 0.00 52.55 55.32 2aqt s ASP 49 Cb -0.10 -2.60 0.02 0.00 -0.00 0.00 0.00 42.92 40.24 2aqt s ASP 49 CO 0.01 -0.91 0.52 1.33 -0.00 0.00 0.00 175.17 176.12 2aqt n VAL 50 N 3.89 0.00 0.00 -1.27 0.24 -0.70 -4.84 118.33 115.64 2aqt n VAL 50 Ca 0.15 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 2aqt n VAL 50 Cb 0.37 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 2aqt n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aqt n GLY 51 N 0.35 0.68 3.24 7.63 0.00 -1.21 -1.06 105.19 114.83 2aqt n GLY 51 Ca 0.02 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 2aqt n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aqt s THR 52 N -2.62 0.65 -0.13 2.61 -4.23 -0.75 -0.95 115.64 110.21 2aqt s THR 52 Ca 0.00 -1.98 -0.02 0.00 -1.18 0.00 0.00 61.69 58.51 2aqt s THR 52 Cb 0.00 -2.13 0.04 0.00 1.34 0.00 0.00 72.50 71.75 2aqt s THR 52 CO 0.00 -0.46 0.01 -0.69 -0.54 0.00 0.00 174.62 172.94 2aqt s VAL 53 N -3.68 0.54 -0.20 2.29 1.01 -0.58 -0.68 120.40 119.10 2aqt s VAL 53 Ca 0.24 -0.25 -0.10 0.00 0.00 0.00 0.00 61.98 61.87 2aqt s VAL 53 Cb 0.06 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 2aqt s VAL 53 CO 0.04 0.06 0.13 -0.89 0.00 0.00 0.00 175.10 174.44 2aqt s THR 54 N 1.88 5.36 -0.17 3.92 2.01 0.67 -1.25 115.64 128.06 2aqt s THR 54 Ca 0.02 0.17 -0.06 0.00 0.31 0.00 0.00 61.69 62.13 2aqt s THR 54 Cb -0.15 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 2aqt s THR 54 CO -0.07 0.43 0.03 -0.63 -0.69 0.00 0.00 174.62 173.69 2aqt s ILE 55 N 0.45 4.47 0.19 1.82 1.01 0.11 -0.33 121.20 128.92 2aqt s ILE 55 Ca 0.08 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.60 2aqt s ILE 55 Cb -0.11 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.31 2aqt s ILE 55 CO -0.01 0.47 0.02 0.42 0.00 0.00 0.00 174.94 175.84 2aqt s THR 56 N 0.40 0.64 -0.11 2.92 -4.23 -0.53 -0.47 115.64 114.27 2aqt s THR 56 Ca 0.01 -1.98 -0.04 0.00 -1.18 0.00 0.00 61.69 58.49 2aqt s THR 56 Cb -0.13 -2.21 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 2aqt s THR 56 CO 0.01 -0.39 0.06 -1.61 -0.54 0.00 0.00 174.62 172.16 2aqt s GLU 57 N -3.94 3.25 0.38 3.99 2.02 -1.26 -0.17 118.70 122.98 2aqt s GLU 57 Ca 0.27 -0.29 0.05 0.00 0.02 0.00 0.00 54.97 55.02 2aqt s GLU 57 Cb 0.06 -2.99 -0.06 0.00 0.10 0.00 0.00 34.13 31.24 2aqt s GLU 57 CO 0.06 0.70 0.04 -1.54 0.02 0.00 0.00 175.26 174.53 2aqt s SER 58 N -0.84 3.22 0.00 -0.19 1.04 -0.33 -4.92 113.70 111.69 2aqt s SER 58 Ca 0.13 -1.42 0.18 0.00 0.48 0.00 0.00 55.95 55.32 2aqt s SER 58 Cb -0.12 -0.13 1.03 0.00 0.10 0.00 0.00 66.02 66.91 2aqt s SER 58 CO 0.03 -0.58 1.47 0.59 0.98 0.00 0.00 173.24 175.73 2aqt n ASN 59 N -0.90 0.00 -0.02 7.02 3.02 -1.26 -2.63 115.26 120.49 2aqt n ASN 59 Ca -0.05 -0.47 0.01 0.00 -0.03 0.00 0.00 54.58 54.03 2aqt n ASN 59 Cb 0.67 -0.04 0.01 0.00 -0.61 0.00 0.00 39.78 39.80 2aqt n ASN 59 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2aqt n TYR 60 N -1.04 0.00 0.00 3.10 4.01 -1.26 -5.12 117.16 116.85 2aqt n TYR 60 Ca 0.13 -0.38 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 2aqt n TYR 60 Cb 0.07 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 2aqt n TYR 60 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aqt n GLY 61 N -0.40 1.53 3.74 2.72 0.00 -1.08 -4.21 105.19 107.49 2aqt n GLY 61 Ca 0.01 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 2aqt n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqt s LEU 62 N 0.00 4.49 -0.15 0.99 1.43 -0.22 -1.18 118.68 124.05 2aqt s LEU 62 Ca 0.00 2.15 -0.04 0.00 -1.03 0.00 0.00 54.13 55.20 2aqt s LEU 62 Cb 0.00 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 2aqt s LEU 62 CO 0.00 -0.24 0.01 -0.69 0.23 0.00 0.00 176.35 175.66 2aqt s VAL 63 N -0.35 4.31 -0.31 -1.59 1.01 0.76 -1.39 120.40 122.84 2aqt s VAL 63 Ca 0.49 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.20 2aqt s VAL 63 Cb -0.30 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.22 2aqt s VAL 63 CO 0.36 0.51 0.06 -0.36 0.00 0.00 0.00 175.10 175.68 2aqt s PHE 64 N 0.02 3.22 -0.34 5.22 0.40 0.05 -1.45 117.98 125.10 2aqt s PHE 64 Ca 0.03 -1.45 -0.07 0.00 -0.60 0.00 0.00 56.93 54.84 2aqt s PHE 64 Cb -0.13 -2.21 0.03 0.00 0.51 0.00 0.00 43.02 41.22 2aqt s PHE 64 CO 0.02 -0.72 0.12 0.99 0.70 0.00 0.00 175.22 176.33 2aqt s THR 65 N 1.38 3.93 0.43 0.64 2.01 0.55 -1.39 115.64 123.19 2aqt s THR 65 Ca -0.02 -1.05 -0.09 0.00 0.31 0.00 0.00 61.69 60.84 2aqt s THR 65 Cb -0.19 -3.20 -0.06 0.00 0.01 0.00 0.00 72.50 69.06 2aqt s THR 65 CO 0.01 -0.16 0.79 -2.16 -0.69 0.00 0.00 174.62 172.40 2aqt s PRO 66 N 1.44 3.72 -0.44 4.92 0.04 -1.26 -0.24 135.00 143.17 2aqt s PRO 66 Ca -0.01 0.43 0.07 0.00 0.04 0.00 0.00 61.00 61.52 2aqt s PRO 66 Cb -0.19 -2.37 0.22 0.00 0.04 0.00 0.00 34.50 32.20 2aqt s PRO 66 CO 0.03 -0.10 0.63 -3.47 0.04 0.00 0.00 177.00 174.13 2aqt n ASP 67 N -1.58 -1.41 -4.50 6.66 4.64 0.15 -4.01 116.55 116.50 2aqt n ASP 67 Ca 0.02 -2.85 -0.25 0.00 -1.38 0.00 0.00 54.79 50.34 2aqt n ASP 67 Cb 0.54 0.46 -0.10 0.00 -1.04 0.00 0.00 41.12 40.99 2aqt n ASP 67 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2aqt s LEU 68 N -0.49 2.70 0.20 -2.67 1.43 -0.53 -1.81 118.68 117.51 2aqt s LEU 68 Ca 0.33 -0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 2aqt s LEU 68 Cb 0.14 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 45.06 2aqt s LEU 68 CO -0.16 0.06 0.38 0.00 0.23 0.00 0.00 176.35 176.86 2aqt s GLN 69 N -3.22 1.34 -0.11 1.70 -2.07 -0.22 -1.31 119.66 115.76 2aqt s GLN 69 Ca 0.27 -1.21 0.00 0.00 -1.82 0.00 0.00 55.36 52.60 2aqt s GLN 69 Cb -0.06 0.42 0.00 0.00 -1.09 0.00 0.00 33.01 32.28 2aqt s GLN 69 CO 0.14 -0.53 0.00 0.41 -1.32 0.00 0.00 175.29 174.00 2aqt n GLY 70 N -0.30 0.49 3.85 2.60 0.00 -0.96 -4.77 105.19 106.11 2aqt n GLY 70 Ca -0.05 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 2aqt n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqt s LEU 71 N -0.24 3.96 0.27 0.99 1.43 -0.92 -5.07 118.68 119.09 2aqt s LEU 71 Ca 0.00 -0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 2aqt s LEU 71 Cb 0.00 -2.52 -0.09 0.00 0.03 0.00 0.00 46.19 43.60 2aqt s LEU 71 CO 0.00 0.00 1.18 -0.94 0.23 0.00 0.00 176.35 176.83 2aqt s SER 72 N -3.54 7.08 0.58 2.29 1.04 -1.26 -4.19 113.70 115.71 2aqt s SER 72 Ca 0.33 2.38 -0.20 0.00 0.48 0.00 0.00 55.95 58.94 2aqt s SER 72 Cb -0.09 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 2aqt s SER 72 CO 0.25 -0.31 1.27 -1.83 0.98 0.00 0.00 173.24 173.60 2aqt s GLU 73 N -1.23 3.00 0.00 4.02 -1.05 -1.26 -4.79 118.70 117.39 2aqt s GLU 73 Ca 0.48 2.00 0.00 0.00 -0.15 0.00 0.00 54.97 57.29 2aqt s GLU 73 Cb -0.34 -2.05 0.00 0.00 -0.44 0.00 0.00 34.13 31.29 2aqt s GLU 73 CO 0.43 -1.23 0.00 0.41 0.95 0.00 0.00 175.26 175.82 2aqt n GLY 74 N 0.66 0.78 3.78 -3.83 0.00 0.34 -4.97 105.19 101.95 2aqt n GLY 74 Ca 0.13 -2.21 -0.39 0.00 0.00 0.00 0.00 46.02 43.55 2aqt n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqt s LEU 75 N 0.00 4.52 -0.02 0.99 1.43 -1.26 -1.05 118.68 123.30 2aqt s LEU 75 Ca 0.00 1.43 0.07 0.00 -1.03 0.00 0.00 54.13 54.60 2aqt s LEU 75 Cb 0.00 -3.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.09 2aqt s LEU 75 CO 0.00 0.18 -0.23 -1.00 0.23 0.00 0.00 176.35 175.53 2aqt s HIS 76 N -0.79 2.07 0.31 0.29 3.76 0.41 -3.59 115.29 117.74 2aqt s HIS 76 Ca 0.34 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 54.55 2aqt s HIS 76 Cb -0.21 -1.33 -0.12 0.00 1.11 0.00 0.00 32.58 32.03 2aqt s HIS 76 CO 0.22 -0.04 1.55 0.41 -0.85 0.00 0.00 174.74 176.03 2aqt n GLY 77 N 2.54 1.24 2.65 -2.22 0.00 0.11 -1.26 105.19 108.25 2aqt n GLY 77 Ca -0.16 0.43 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 2aqt n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2aqt s PHE 78 N -0.25 0.54 0.05 1.61 5.36 -1.26 -0.53 117.98 123.50 2aqt s PHE 78 Ca 0.62 -0.60 -0.01 0.00 -0.96 0.00 0.00 56.93 55.98 2aqt s PHE 78 Cb -0.51 -0.86 -0.04 0.00 -0.34 0.00 0.00 43.02 41.27 2aqt s PHE 78 CO 0.52 -0.59 -0.03 -1.01 -1.46 0.00 0.00 175.22 172.65 2aqt s HIS 79 N 2.02 0.52 -0.18 10.12 3.76 -0.77 -2.53 115.29 128.23 2aqt s HIS 79 Ca 0.02 -1.07 -0.15 0.00 -0.15 0.00 0.00 55.06 53.71 2aqt s HIS 79 Cb -0.16 -0.39 -0.04 0.00 1.11 0.00 0.00 32.58 33.10 2aqt s HIS 79 CO -0.12 -0.38 0.37 0.42 -0.85 0.00 0.00 174.74 174.18 2aqt s ILE 80 N -3.91 5.23 0.17 0.60 -1.09 0.16 -0.30 121.20 122.07 2aqt s ILE 80 Ca 0.07 0.68 0.04 0.00 -2.23 0.00 0.00 60.65 59.21 2aqt s ILE 80 Cb 0.08 -3.71 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 2aqt s ILE 80 CO -0.10 0.31 0.25 -1.00 -1.23 0.00 0.00 174.94 173.16 2aqt s HIS 81 N 0.96 3.36 0.19 3.97 3.76 0.86 -0.68 115.29 127.70 2aqt s HIS 81 Ca 0.19 0.04 -0.14 0.00 -0.15 0.00 0.00 55.06 55.01 2aqt s HIS 81 Cb -0.14 -1.59 0.19 0.00 1.11 0.00 0.00 32.58 32.14 2aqt s HIS 81 CO 0.07 0.51 1.69 1.05 -0.85 0.00 0.00 174.74 177.20 2aqt h GLU 82 N 2.04 0.12 -6.09 1.40 4.11 -0.90 -2.60 114.58 112.66 2aqt h GLU 82 Ca -0.49 -0.01 -0.59 0.00 0.07 0.00 0.00 59.36 58.34 2aqt h GLU 82 Cb 1.20 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 2aqt h GLU 82 CO 0.65 0.08 -0.31 -0.80 0.07 0.00 0.00 179.01 178.71 2aqt s ASN 83 N -5.26 6.54 -1.47 3.06 0.01 0.49 -4.66 114.94 113.66 2aqt s ASN 83 Ca -0.13 0.65 -0.12 0.00 -0.71 0.00 0.00 52.86 52.55 2aqt s ASN 83 Cb 0.16 -2.12 0.03 0.00 0.41 0.00 0.00 41.25 39.73 2aqt s ASN 83 CO 0.72 0.14 2.40 -0.81 -1.51 0.00 0.00 177.10 178.04 2aqt n PRO 84 N 0.60 3.30 -3.64 -0.60 -0.04 -1.24 -3.05 135.00 130.34 2aqt n PRO 84 Ca -0.06 -2.67 -0.15 0.00 -0.04 0.00 0.00 63.50 60.58 2aqt n PRO 84 Cb 0.52 -3.06 -0.07 0.00 -0.04 0.00 0.00 33.50 30.84 2aqt n PRO 84 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2aqt s SER 85 N 2.42 -0.48 -0.05 3.54 0.15 -1.26 -4.95 113.70 113.07 2aqt s SER 85 Ca 0.53 0.57 0.07 0.00 0.70 0.00 0.00 55.95 57.82 2aqt s SER 85 Cb 0.15 0.57 0.10 0.00 -1.71 0.00 0.00 66.02 65.14 2aqt s SER 85 CO -0.07 -0.47 0.99 0.00 1.20 0.00 0.00 173.24 174.89 2aqt s GLU 87 N -1.45 3.35 0.76 0.00 0.41 -1.26 -4.01 118.70 116.50 2aqt s GLU 87 Ca 0.12 1.50 -0.09 0.00 -0.41 0.00 0.00 54.97 56.09 2aqt s GLU 87 Cb 0.10 -2.02 0.08 0.00 -1.78 0.00 0.00 34.13 30.52 2aqt s GLU 87 CO 0.01 -0.83 1.09 -1.25 -0.49 0.00 0.00 175.26 173.80 2aqt s PRO 88 N -3.46 1.96 0.01 0.39 0.04 -1.26 0.76 135.00 133.45 2aqt s PRO 88 Ca 0.70 -0.19 -0.16 0.00 0.04 0.00 0.00 61.00 61.39 2aqt s PRO 88 Cb -0.21 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.28 2aqt s PRO 88 CO 0.29 -1.47 0.35 0.15 0.04 0.00 0.00 177.00 176.36 2aqt s LYS 89 N -5.41 0.78 0.10 4.56 1.02 -0.71 -4.41 119.74 115.66 2aqt s LYS 89 Ca 0.62 -0.28 -0.31 0.00 0.02 0.00 0.00 55.97 56.02 2aqt s LYS 89 Cb -0.10 0.34 -0.09 0.00 -0.52 0.00 0.00 37.83 37.47 2aqt s LYS 89 CO 0.47 -0.24 1.61 -1.21 -0.92 0.00 0.00 175.35 175.06 2aqt s GLU 90 N -1.85 4.21 -0.21 1.68 0.41 -1.26 -0.58 118.70 121.10 2aqt s GLU 90 Ca -0.10 2.32 -0.04 0.00 -0.41 0.00 0.00 54.97 56.74 2aqt s GLU 90 Cb -0.03 -3.44 0.10 0.00 -1.78 0.00 0.00 34.13 28.98 2aqt s GLU 90 CO 0.01 -0.67 0.24 -1.14 -0.49 0.00 0.00 175.26 173.21 2aqt s GLN 91 N 2.09 0.22 -1.18 1.61 0.74 -0.28 -4.91 119.66 117.95 2aqt s GLN 91 Ca 0.72 0.20 -0.05 0.00 0.05 0.00 0.00 55.36 56.28 2aqt s GLN 91 Cb -0.41 -1.10 -0.02 0.00 1.10 0.00 0.00 33.01 32.58 2aqt s GLN 91 CO 0.32 -0.69 0.85 0.39 -0.55 0.00 0.00 175.29 175.61 2aqt n GLU 92 N 5.32 -3.97 -2.12 1.67 1.02 -1.26 -3.09 120.64 118.21 2aqt n GLU 92 Ca -0.05 0.73 -0.15 0.00 -0.02 0.00 0.00 57.16 57.67 2aqt n GLU 92 Cb 0.49 -5.39 -0.02 0.00 -0.02 0.00 0.00 31.44 26.50 2aqt n GLU 92 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2aqt n GLY 93 N -1.38 0.08 3.42 0.62 0.00 -1.26 -5.02 105.19 101.66 2aqt n GLY 93 Ca -0.20 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 2aqt n GLY 93 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aqt s GLN 94 N -4.46 0.64 -0.52 1.61 -0.21 -1.18 -5.10 119.66 110.45 2aqt s GLN 94 Ca 0.00 0.65 -0.27 0.00 0.02 0.00 0.00 55.36 55.75 2aqt s GLN 94 Cb 0.00 0.31 -0.01 0.00 1.00 0.00 0.00 33.01 34.31 2aqt s GLN 94 CO 0.00 -0.09 1.69 -1.17 -2.12 0.00 0.00 175.29 173.59 2aqt s LEU 95 N 0.09 3.39 -0.18 2.90 2.96 -1.26 -1.13 118.68 125.45 2aqt s LEU 95 Ca -0.01 0.59 -0.18 0.00 -0.22 0.00 0.00 54.13 54.31 2aqt s LEU 95 Cb -0.04 -2.98 -0.04 0.00 0.50 0.00 0.00 46.19 43.63 2aqt s LEU 95 CO 0.01 -1.96 0.47 -0.89 -1.32 0.00 0.00 176.35 172.67 2aqt s THR 96 N 7.44 5.15 0.19 3.68 2.01 0.25 -4.84 115.64 129.53 2aqt s THR 96 Ca 0.66 0.88 -0.33 0.00 0.31 0.00 0.00 61.69 63.21 2aqt s THR 96 Cb -0.15 -3.80 -0.14 0.00 0.01 0.00 0.00 72.50 68.42 2aqt s THR 96 CO 0.26 0.24 1.45 0.00 -0.69 0.00 0.00 174.62 175.87 2aqt n ALA 97 N 4.41 0.86 -0.78 7.40 0.00 -1.26 -1.74 120.51 129.39 2aqt n ALA 97 Ca -0.06 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2aqt n ALA 97 Cb 0.51 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.69 2aqt n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aqt n GLY 98 N 2.65 0.19 0.29 0.00 0.00 -1.25 -4.49 105.19 102.57 2aqt n GLY 98 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.31 2aqt n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2aqt h LEU 99 N 0.00 0.00 -2.71 0.99 3.38 -1.47 -2.12 115.31 113.38 2aqt h LEU 99 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2aqt h LEU 99 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2aqt h LEU 99 CO 0.00 0.04 0.01 1.23 0.09 0.00 0.00 178.44 179.81 2aqt h GLY 100 N 0.30 0.00 2.00 0.83 0.00 0.14 -1.15 103.07 105.19 2aqt h GLY 100 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2aqt h GLY 100 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 2aqt h ALA 101 N 1.98 1.00 -0.33 3.60 0.00 -1.35 -3.43 119.26 120.74 2aqt h ALA 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2aqt h ALA 101 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2aqt h ALA 101 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2aqt n GLY 102 N -0.03 -1.75 0.57 0.00 0.00 -0.44 -0.38 105.19 103.17 2aqt n GLY 102 Ca 0.01 -1.33 -0.04 0.00 0.00 0.00 0.00 46.02 44.66 2aqt n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqt n GLY 103 N 0.00 -0.88 3.74 -0.02 0.00 -1.26 -4.61 105.19 102.15 2aqt n GLY 103 Ca 0.00 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 2aqt n GLY 103 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aqt s HIS 104 N -1.24 2.90 -0.06 1.61 3.76 -1.26 -0.78 115.29 120.20 2aqt s HIS 104 Ca 0.11 0.69 -0.32 0.00 -0.15 0.00 0.00 55.06 55.38 2aqt s HIS 104 Cb -0.00 -4.01 -0.10 0.00 1.11 0.00 0.00 32.58 29.57 2aqt s HIS 104 CO 0.08 -3.57 1.95 1.87 -0.85 0.00 0.00 174.74 174.21 2aqt n TRP 105 N 3.00 2.35 -3.16 1.40 -0.00 0.14 -4.54 117.44 116.63 2aqt n TRP 105 Ca 0.11 -0.13 -0.19 0.00 -0.00 0.00 0.00 57.50 57.28 2aqt n TRP 105 Cb 0.38 -2.71 -0.04 0.00 -0.00 0.00 0.00 31.31 28.94 2aqt n TRP 105 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 2aqt n ASP 106 N 7.36 0.43 0.04 5.87 2.03 -1.26 -1.43 116.55 129.59 2aqt n ASP 106 Ca 0.23 -2.95 0.07 0.00 0.52 0.00 0.00 54.79 52.66 2aqt n ASP 106 Cb 0.34 -0.47 0.31 0.00 -0.72 0.00 0.00 41.12 40.58 2aqt n ASP 106 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2aqt n PRO 107 N 0.64 0.06 -0.10 -0.67 -0.04 -1.26 -1.99 135.00 131.64 2aqt n PRO 107 Ca 0.23 0.38 0.11 0.00 -0.04 0.00 0.00 63.50 64.18 2aqt n PRO 107 Cb 0.62 -1.62 0.15 0.00 -0.04 0.00 0.00 33.50 32.61 2aqt n PRO 107 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2aqt n LYS 108 N -1.73 2.24 -2.83 0.54 5.02 -1.26 -4.99 118.16 115.16 2aqt n LYS 108 Ca 0.02 -2.03 -0.19 0.00 -2.02 0.00 0.00 58.31 54.09 2aqt n LYS 108 Cb 0.13 -1.45 0.03 0.00 -0.02 0.00 0.00 35.03 33.72 2aqt n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aqt n GLY 109 N 1.31 -0.34 0.28 0.72 0.00 -0.84 -4.90 105.19 101.41 2aqt n GLY 109 Ca 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 2aqt n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqt h ALA 110 N 0.85 1.34 -1.89 4.61 0.00 -1.85 -3.46 119.26 118.86 2aqt h ALA 110 Ca -0.45 -0.19 -0.35 0.00 0.00 0.00 0.00 54.91 53.92 2aqt h ALA 110 Cb 1.31 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.83 2aqt h ALA 110 CO 0.49 0.46 -0.36 1.63 0.00 0.00 0.00 179.25 181.47 2aqt n LYS 111 N -4.29 -1.55 -3.73 0.00 5.02 -1.26 -4.88 118.16 107.47 2aqt n LYS 111 Ca 0.02 0.96 -0.14 0.00 -2.02 0.00 0.00 58.31 57.14 2aqt n LYS 111 Cb 0.23 -5.38 -0.08 0.00 -0.02 0.00 0.00 35.03 29.77 2aqt n LYS 111 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2aqt s GLN 112 N -3.98 0.69 0.12 1.97 -2.07 -1.26 -5.07 119.66 110.07 2aqt s GLN 112 Ca 0.00 -0.04 -0.20 0.00 -1.82 0.00 0.00 55.36 53.30 2aqt s GLN 112 Cb 0.00 0.31 -0.07 0.00 -1.09 0.00 0.00 33.01 32.16 2aqt s GLN 112 CO 0.00 -0.19 0.62 -1.58 -1.32 0.00 0.00 175.29 172.83 2aqt s HIS 113 N -1.12 3.77 0.00 9.60 5.65 -1.26 -1.67 115.29 130.27 2aqt s HIS 113 Ca -0.12 1.32 0.00 0.00 0.25 0.00 0.00 55.06 56.52 2aqt s HIS 113 Cb -0.04 -2.54 0.00 0.00 -1.18 0.00 0.00 32.58 28.81 2aqt s HIS 113 CO 0.04 0.52 0.00 0.41 -0.65 0.00 0.00 174.74 175.06 2aqt n GLY 114 N 1.42 3.21 3.87 1.59 0.00 -1.26 -4.14 105.19 109.88 2aqt n GLY 114 Ca -0.08 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 2aqt n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aqt s TYR 115 N -1.53 3.51 0.41 1.61 2.02 -1.26 -4.62 117.35 117.50 2aqt s TYR 115 Ca 0.00 1.17 0.32 0.00 -0.37 0.00 0.00 57.07 58.19 2aqt s TYR 115 Cb 0.00 -2.57 1.63 0.00 -0.40 0.00 0.00 41.96 40.63 2aqt s TYR 115 CO 0.00 -0.32 2.12 -1.35 -1.57 0.00 0.00 175.55 174.43 2aqt h PRO 116 N 0.68 0.00 -0.46 -1.71 0.11 -1.86 -2.16 132.00 126.60 2aqt h PRO 116 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2aqt h PRO 116 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2aqt h PRO 116 CO 0.62 0.07 0.00 -2.67 -0.21 0.00 0.00 178.00 175.82 2aqt n TRP 117 N -3.43 1.45 -3.73 0.65 2.14 -1.26 -4.34 117.44 108.93 2aqt n TRP 117 Ca -0.02 -0.75 -0.37 0.00 2.07 0.00 0.00 57.50 58.44 2aqt n TRP 117 Cb 0.22 -0.36 -0.12 0.00 -0.81 0.00 0.00 31.31 30.23 2aqt n TRP 117 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2aqt s GLN 118 N -2.50 3.55 0.49 -2.67 0.74 -0.81 -4.99 119.66 113.47 2aqt s GLN 118 Ca 0.47 -0.55 0.25 0.00 0.05 0.00 0.00 55.36 55.58 2aqt s GLN 118 Cb 0.35 -3.39 1.29 0.00 1.10 0.00 0.00 33.01 32.36 2aqt s GLN 118 CO 0.15 -0.26 2.01 -0.44 -0.55 0.00 0.00 175.29 176.20 2aqt h ASP 119 N 8.27 0.00 -0.98 6.67 3.32 -1.90 -2.94 116.42 128.85 2aqt h ASP 119 Ca -0.36 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.05 2aqt h ASP 119 Cb 1.17 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.42 2aqt h ASP 119 CO 0.59 0.16 0.74 -0.90 -1.72 0.00 0.00 179.24 178.10 2aqt n ASP 120 N -3.69 6.89 -4.43 6.45 3.85 -1.26 -4.91 116.55 119.45 2aqt n ASP 120 Ca -0.02 -3.76 -0.22 0.00 -0.71 0.00 0.00 54.79 50.09 2aqt n ASP 120 Cb 0.28 -0.92 -0.10 0.00 -1.35 0.00 0.00 41.12 39.03 2aqt n ASP 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2aqt s ALA 121 N -3.73 2.41 0.19 2.12 0.00 -1.11 -4.65 121.76 116.99 2aqt s ALA 121 Ca 0.63 -1.86 -0.33 0.00 0.00 0.00 0.00 51.96 50.40 2aqt s ALA 121 Cb 0.50 0.01 -0.15 0.00 0.00 0.00 0.00 23.12 23.48 2aqt s ALA 121 CO 0.01 0.04 1.27 0.72 0.00 0.00 0.00 175.76 177.81 2aqt n HIS 122 N -0.57 1.64 0.30 0.00 8.25 -0.67 -4.74 115.22 119.43 2aqt n HIS 122 Ca -0.06 0.58 0.18 0.00 -0.26 0.00 0.00 57.72 58.16 2aqt n HIS 122 Cb 0.62 -2.35 0.96 0.00 1.12 0.00 0.00 29.99 30.33 2aqt n HIS 122 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2aqt h LEU 123 N 3.85 0.00 -0.23 2.41 5.85 -1.87 -2.00 115.31 123.32 2aqt h LEU 123 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2aqt h LEU 123 Cb 1.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 2aqt h LEU 123 CO 0.73 0.03 -0.01 0.61 -0.34 0.00 0.00 178.44 179.46 2aqt n GLY 124 N -0.84 -0.80 3.58 3.75 0.00 -0.51 -4.81 105.19 105.56 2aqt n GLY 124 Ca -0.02 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 2aqt n GLY 124 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aqt s ASP 125 N -2.08 6.05 0.38 1.61 1.01 -0.75 -0.66 116.67 122.22 2aqt s ASP 125 Ca 0.43 0.44 0.05 0.00 0.71 0.00 0.00 52.55 54.18 2aqt s ASP 125 Cb 0.21 -2.54 -0.00 0.00 1.01 0.00 0.00 42.92 41.60 2aqt s ASP 125 CO 0.38 -1.74 0.54 -0.76 0.21 0.00 0.00 175.17 173.80 2aqt s LEU 126 N 6.35 3.83 0.66 1.23 1.43 -1.05 -3.86 118.68 127.26 2aqt s LEU 126 Ca 0.57 -0.10 -0.16 0.00 -1.03 0.00 0.00 54.13 53.41 2aqt s LEU 126 Cb -0.12 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.26 2aqt s LEU 126 CO 0.26 -0.57 1.17 -2.84 0.23 0.00 0.00 176.35 174.61 2aqt s PRO 127 N -4.31 2.63 0.55 1.29 0.02 -1.26 -4.67 135.00 129.25 2aqt s PRO 127 Ca 0.47 1.66 -0.21 0.00 0.02 0.00 0.00 61.00 62.95 2aqt s PRO 127 Cb -0.10 -1.90 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 2aqt s PRO 127 CO 0.33 -1.43 1.29 0.00 -0.33 0.00 0.00 177.00 176.86 2aqt s ALA 128 N -1.96 2.75 0.06 -1.55 0.00 -1.26 -4.56 121.76 115.23 2aqt s ALA 128 Ca 0.73 1.19 -0.21 0.00 0.00 0.00 0.00 51.96 53.67 2aqt s ALA 128 Cb -0.27 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.28 2aqt s ALA 128 CO 0.40 -1.23 0.62 -1.17 0.00 0.00 0.00 175.76 174.37 2aqt s LEU 129 N -3.63 4.50 -0.27 0.00 2.96 -0.39 -4.87 118.68 116.99 2aqt s LEU 129 Ca 0.72 1.30 -0.10 0.00 -0.22 0.00 0.00 54.13 55.83 2aqt s LEU 129 Cb -0.36 -2.98 -0.05 0.00 0.50 0.00 0.00 46.19 43.30 2aqt s LEU 129 CO 0.42 0.20 0.17 -0.89 -1.32 0.00 0.00 176.35 174.92 2aqt s THR 130 N -0.77 5.18 -0.23 3.68 2.01 -1.26 -0.44 115.64 123.80 2aqt s THR 130 Ca 0.31 0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.39 2aqt s THR 130 Cb -0.20 -3.45 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 2aqt s THR 130 CO 0.20 0.27 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.69 2aqt s VAL 131 N 1.65 3.56 0.99 3.82 1.01 -0.21 -4.37 120.40 126.84 2aqt s VAL 131 Ca 0.07 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.47 2aqt s VAL 131 Cb -0.16 -2.64 0.18 0.00 0.00 0.00 0.00 36.38 33.77 2aqt s VAL 131 CO 0.09 0.40 1.13 -0.76 0.00 0.00 0.00 175.10 175.96 2aqt s LEU 132 N 1.50 1.73 0.31 3.92 1.43 -0.22 -0.50 118.68 126.84 2aqt s LEU 132 Ca 0.06 0.92 0.07 0.00 -1.03 0.00 0.00 54.13 54.14 2aqt s LEU 132 Cb -0.14 -3.08 0.78 0.00 0.03 0.00 0.00 46.19 43.77 2aqt s LEU 132 CO -0.02 -2.98 1.77 -0.74 0.23 0.00 0.00 176.35 174.61 2aqt h HIS 133 N -1.79 1.06 0.00 0.29 -0.00 -1.96 0.12 115.15 112.87 2aqt h HIS 133 Ca -0.51 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 2aqt h HIS 133 Cb 1.32 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 28.42 2aqt h HIS 133 CO -0.18 0.19 0.00 -0.40 -0.00 0.00 0.00 177.93 177.55 2aqt n ASP 134 N -4.79 0.00 0.00 3.26 3.85 -1.26 -4.74 116.55 112.86 2aqt n ASP 134 Ca 0.24 -1.03 0.00 0.00 -0.71 0.00 0.00 54.79 53.30 2aqt n ASP 134 Cb 0.62 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.39 2aqt n ASP 134 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2aqt n GLY 135 N 0.41 0.75 3.86 6.12 0.00 0.43 -4.75 105.19 112.02 2aqt n GLY 135 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 2aqt n GLY 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aqt s THR 136 N -2.73 4.80 -0.09 2.61 -4.23 -1.26 -2.17 115.64 112.56 2aqt s THR 136 Ca 0.00 -1.05 -0.02 0.00 -1.18 0.00 0.00 61.69 59.45 2aqt s THR 136 Cb 0.00 -3.51 0.03 0.00 1.34 0.00 0.00 72.50 70.36 2aqt s THR 136 CO 0.00 -0.19 0.00 0.00 -0.54 0.00 0.00 174.62 173.89 2aqt s ALA 137 N -1.87 0.80 0.00 3.99 0.00 -0.43 -1.06 121.76 123.19 2aqt s ALA 137 Ca 0.33 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.04 2aqt s ALA 137 Cb -0.10 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.20 2aqt s ALA 137 CO 0.26 -0.57 0.05 0.25 0.00 0.00 0.00 175.76 175.75 2aqt n THR 138 N 5.12 0.00 -2.49 0.00 -2.24 -1.26 -1.45 114.28 111.97 2aqt n THR 138 Ca -0.08 -0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.22 2aqt n THR 138 Cb 0.50 1.86 -0.02 0.00 -2.10 0.00 0.00 70.33 70.56 2aqt n THR 138 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2aqt s ASN 139 N -0.00 6.96 0.57 3.42 3.04 -1.26 -4.56 114.94 123.10 2aqt s ASN 139 Ca 0.00 1.55 -0.16 0.00 0.04 0.00 0.00 52.86 54.29 2aqt s ASN 139 Cb 0.00 -2.54 -0.05 0.00 -1.54 0.00 0.00 41.25 37.12 2aqt s ASN 139 CO 0.00 -0.77 1.04 -2.16 -3.04 0.00 0.00 177.10 172.16 2aqt s PRO 140 N 3.50 3.49 0.07 0.43 0.04 -1.26 -4.48 135.00 136.78 2aqt s PRO 140 Ca 0.52 1.13 0.03 0.00 0.04 0.00 0.00 61.00 62.72 2aqt s PRO 140 Cb -0.19 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 2aqt s PRO 140 CO 0.13 -0.67 -0.09 0.14 0.04 0.00 0.00 177.00 176.56 2aqt s VAL 141 N -2.52 0.73 -0.07 -0.36 -7.23 -0.49 -4.98 120.40 105.49 2aqt s VAL 141 Ca 0.62 -1.38 -0.00 0.00 -1.81 0.00 0.00 61.98 59.41 2aqt s VAL 141 Cb -0.14 -1.02 -0.03 0.00 0.56 0.00 0.00 36.38 35.74 2aqt s VAL 141 CO 0.36 -0.49 -0.04 -0.22 -0.31 0.00 0.00 175.10 174.41 2aqt s LEU 142 N -2.05 3.36 -0.56 1.32 2.96 -1.26 -0.77 118.68 121.68 2aqt s LEU 142 Ca -0.02 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 2aqt s LEU 142 Cb -0.06 -1.77 0.14 0.00 0.50 0.00 0.00 46.19 45.01 2aqt s LEU 142 CO -0.00 0.36 0.34 0.00 -1.32 0.00 0.00 176.35 175.73 2aqt s ALA 143 N -0.86 3.42 0.59 5.97 0.00 -0.49 -4.51 121.76 125.88 2aqt s ALA 143 Ca 0.13 -3.20 0.30 0.00 0.00 0.00 0.00 51.96 49.19 2aqt s ALA 143 Cb -0.11 -2.42 1.77 0.00 0.00 0.00 0.00 23.12 22.35 2aqt s ALA 143 CO 0.02 -2.04 2.19 -1.00 0.00 0.00 0.00 175.76 174.94 2aqt h PRO 144 N 6.90 0.00 -0.00 0.00 0.13 -1.79 -2.41 132.00 134.83 2aqt h PRO 144 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2aqt h PRO 144 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2aqt h PRO 144 CO 0.69 0.00 -0.10 0.54 -0.23 0.00 0.00 178.00 178.90 2aqt n ARG 145 N -3.81 0.65 -3.82 0.86 1.74 -1.26 -4.59 116.66 106.43 2aqt n ARG 145 Ca -0.01 -0.21 -0.36 0.00 -0.77 0.00 0.00 57.85 56.50 2aqt n ARG 145 Cb 0.18 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.00 2aqt n ARG 145 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2aqt s LEU 146 N -2.50 3.35 -0.24 0.55 1.43 -0.91 -5.01 118.68 115.35 2aqt s LEU 146 Ca 0.28 -0.23 0.04 0.00 -1.03 0.00 0.00 54.13 53.20 2aqt s LEU 146 Cb 0.20 -1.89 -0.17 0.00 0.03 0.00 0.00 46.19 44.36 2aqt s LEU 146 CO 0.48 -0.02 -0.17 0.29 0.23 0.00 0.00 176.35 177.16 2aqt n LYS 147 N 4.80 0.65 -4.56 1.70 4.76 -1.26 -1.05 118.16 123.19 2aqt n LYS 147 Ca -0.17 0.12 -0.26 0.00 -2.87 0.00 0.00 58.31 55.13 2aqt n LYS 147 Cb 0.51 -1.49 -0.14 0.00 -1.84 0.00 0.00 35.03 32.08 2aqt n LYS 147 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2aqt s HIS 148 N -2.48 1.90 0.25 2.13 3.76 -1.26 -4.64 115.29 114.94 2aqt s HIS 148 Ca -0.29 -0.39 -0.03 0.00 -0.15 0.00 0.00 55.06 54.19 2aqt s HIS 148 Cb 0.08 -1.10 0.48 0.00 1.11 0.00 0.00 32.58 33.15 2aqt s HIS 148 CO 0.60 0.14 1.74 -0.07 -0.85 0.00 0.00 174.74 176.29 2aqt h LEU 149 N 4.59 0.33 -2.12 0.89 3.38 -1.95 0.16 115.31 120.59 2aqt h LEU 149 Ca -0.44 0.11 0.07 0.00 0.09 0.00 0.00 57.88 57.70 2aqt h LEU 149 Cb 1.16 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2aqt h LEU 149 CO 0.42 0.13 0.19 0.44 0.09 0.00 0.00 178.44 179.71 2aqt h ASP 150 N 0.48 0.00 -0.72 -0.43 3.45 -1.96 -1.87 116.42 115.37 2aqt h ASP 150 Ca 0.43 0.00 0.02 0.00 0.43 0.00 0.00 57.03 57.91 2aqt h ASP 150 Cb 0.64 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.37 2aqt h ASP 150 CO -0.40 0.00 0.48 0.44 -1.57 0.00 0.00 179.24 178.19 2aqt h ASP 151 N 0.00 0.78 0.48 6.45 3.45 -1.37 -2.86 116.42 123.35 2aqt h ASP 151 Ca 0.11 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.55 2aqt h ASP 151 Cb 0.50 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 39.08 2aqt h ASP 151 CO -0.00 0.55 -0.68 1.33 -1.57 0.00 0.00 179.24 178.87 2aqt n VAL 152 N -4.44 0.09 -1.93 -1.35 0.24 -0.71 -4.93 118.33 105.29 2aqt n VAL 152 Ca 0.09 -0.09 -0.39 0.00 -2.04 0.00 0.00 64.34 61.90 2aqt n VAL 152 Cb 0.09 0.27 0.01 0.00 -1.47 0.00 0.00 33.84 32.74 2aqt n VAL 152 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2aqt s ARG 153 N -3.07 3.67 0.00 7.34 0.52 -1.08 -3.21 118.95 123.12 2aqt s ARG 153 Ca 0.08 2.22 0.00 0.00 -0.52 0.00 0.00 55.73 57.51 2aqt s ARG 153 Cb 0.16 -2.58 0.00 0.00 0.52 0.00 0.00 34.95 33.05 2aqt s ARG 153 CO 0.74 -0.76 0.00 0.41 0.02 0.00 0.00 175.30 175.72 2aqt n GLY 154 N 0.63 0.67 0.02 -3.53 0.00 -0.12 -5.01 105.19 97.85 2aqt n GLY 154 Ca 0.06 -0.59 -0.00 0.00 0.00 0.00 0.00 46.02 45.49 2aqt n GLY 154 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2aqt n HIS 155 N -2.54 -0.00 -4.27 1.61 8.25 -1.20 -3.61 115.22 113.46 2aqt n HIS 155 Ca 0.00 -0.01 -0.15 0.00 -0.26 0.00 0.00 57.72 57.30 2aqt n HIS 155 Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 2aqt n HIS 155 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2aqt s SER 156 N -1.01 1.88 -0.12 0.41 1.04 -0.98 -0.19 113.70 114.73 2aqt s SER 156 Ca 0.00 -1.04 0.02 0.00 0.48 0.00 0.00 55.95 55.41 2aqt s SER 156 Cb 0.00 -0.02 -0.00 0.00 0.10 0.00 0.00 66.02 66.10 2aqt s SER 156 CO 0.00 -0.34 -0.19 -0.51 0.98 0.00 0.00 173.24 173.18 2aqt s ILE 157 N -3.30 2.42 -0.02 -1.02 2.07 0.03 -0.10 121.20 121.27 2aqt s ILE 157 Ca 0.19 -0.88 0.08 0.00 -1.41 0.00 0.00 60.65 58.63 2aqt s ILE 157 Cb 0.03 -1.97 -0.02 0.00 0.13 0.00 0.00 42.46 40.62 2aqt s ILE 157 CO 0.02 0.54 -0.26 -0.32 -1.91 0.00 0.00 174.94 173.02 2aqt s MET 158 N 0.50 2.06 -0.16 3.50 -2.45 0.59 -1.56 119.30 121.78 2aqt s MET 158 Ca -0.13 -0.92 0.02 0.00 -1.25 0.00 0.00 55.69 53.41 2aqt s MET 158 Cb -0.17 -2.00 0.01 0.00 1.25 0.00 0.00 34.83 33.93 2aqt s MET 158 CO 0.05 0.55 -0.20 0.42 1.05 0.00 0.00 175.02 176.88 2aqt s ILE 159 N -0.61 2.12 0.45 10.11 1.01 0.13 -1.85 121.20 132.56 2aqt s ILE 159 Ca 0.10 -0.94 -0.00 0.00 0.00 0.00 0.00 60.65 59.80 2aqt s ILE 159 Cb -0.10 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 2aqt s ILE 159 CO -0.01 0.54 0.68 -1.00 0.00 0.00 0.00 174.94 175.15 2aqt s HIS 160 N 1.02 3.28 0.14 3.97 3.76 0.31 -1.30 115.29 126.47 2aqt s HIS 160 Ca -0.02 0.31 -0.11 0.00 -0.15 0.00 0.00 55.06 55.10 2aqt s HIS 160 Cb -0.14 -2.28 -0.05 0.00 1.11 0.00 0.00 32.58 31.21 2aqt s HIS 160 CO -0.06 -0.32 1.45 1.15 -0.85 0.00 0.00 174.74 176.11 2aqt h THR 161 N 0.40 1.27 -3.30 1.30 2.02 -1.16 -3.36 112.91 110.08 2aqt h THR 161 Ca -0.47 -1.64 -0.09 0.00 0.77 0.00 0.00 66.41 64.98 2aqt h THR 161 Cb 1.24 1.49 0.02 0.00 -1.74 0.00 0.00 68.15 69.17 2aqt h THR 161 CO 0.58 0.54 0.04 0.61 0.37 0.00 0.00 175.52 177.67 2aqt n GLY 162 N 0.23 0.15 0.00 2.16 0.00 0.50 -4.88 105.19 103.35 2aqt n GLY 162 Ca -0.03 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.11 2aqt n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqt n GLY 163 N 3.39 1.46 3.15 -0.02 0.00 -1.24 -0.72 105.19 111.22 2aqt n GLY 163 Ca 0.03 -1.68 0.04 0.00 0.00 0.00 0.00 46.02 44.42 2aqt n GLY 163 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aqt s ASP 164 N -1.00 -1.44 -0.05 1.61 -1.08 -1.24 -3.06 116.67 110.41 2aqt s ASP 164 Ca 0.00 0.72 0.15 0.00 -0.52 0.00 0.00 52.55 52.91 2aqt s ASP 164 Cb 0.00 2.13 0.53 0.00 -1.46 0.00 0.00 42.92 44.13 2aqt s ASP 164 CO 0.00 -0.27 1.42 -0.46 0.52 0.00 0.00 175.17 176.39 2aqt n ASN 165 N 5.43 3.47 -3.81 -0.34 6.94 -0.90 -4.88 115.26 121.17 2aqt n ASN 165 Ca 0.00 -2.21 -0.25 0.00 -0.02 0.00 0.00 54.58 52.10 2aqt n ASN 165 Cb 0.52 -0.45 0.03 0.00 -2.36 0.00 0.00 39.78 37.51 2aqt n ASN 165 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2aqt n HIS 166 N 0.94 -2.06 -3.47 -2.53 8.25 -1.26 -4.97 115.22 110.12 2aqt n HIS 166 Ca 0.19 0.86 -0.11 0.00 -0.26 0.00 0.00 57.72 58.40 2aqt n HIS 166 Cb 0.62 -4.17 -0.02 0.00 1.12 0.00 0.00 29.99 27.54 2aqt n HIS 166 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2aqt s SER 167 N -3.92 -0.52 0.00 0.41 0.15 -1.26 -4.02 113.70 104.53 2aqt s SER 167 Ca 0.28 -0.06 0.21 0.00 0.70 0.00 0.00 55.95 57.08 2aqt s SER 167 Cb -0.14 0.60 0.56 0.00 -1.71 0.00 0.00 66.02 65.33 2aqt s SER 167 CO 0.83 -0.98 1.46 0.47 1.20 0.00 0.00 173.24 176.21 2aqt n ASP 168 N -0.38 2.60 -4.13 5.45 8.00 -1.26 -0.63 116.55 126.20 2aqt n ASP 168 Ca -0.15 -1.87 -0.27 0.00 0.71 0.00 0.00 54.79 53.20 2aqt n ASP 168 Cb 0.64 -0.19 -0.16 0.00 -0.02 0.00 0.00 41.12 41.39 2aqt n ASP 168 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2aqt s HIS 169 N -1.62 1.87 -0.51 1.24 2.46 -1.26 -3.70 115.29 113.77 2aqt s HIS 169 Ca 0.35 -0.64 0.24 0.00 0.47 0.00 0.00 55.06 55.48 2aqt s HIS 169 Cb 0.20 -1.28 0.43 0.00 -0.13 0.00 0.00 32.58 31.80 2aqt s HIS 169 CO 0.28 -0.25 1.58 -1.00 -2.47 0.00 0.00 174.74 172.88 2aqt h PRO 170 N 6.54 0.00 -6.18 2.88 0.13 -1.98 -3.49 132.00 129.90 2aqt h PRO 170 Ca -0.29 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.17 2aqt h PRO 170 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 2aqt h PRO 170 CO 0.47 0.00 -0.65 0.00 -0.23 0.00 0.00 178.00 177.59 2aqt s ALA 171 N -3.20 3.23 0.51 -0.56 0.00 -1.25 -5.09 121.76 115.42 2aqt s ALA 171 Ca 0.07 -0.96 -0.22 0.00 0.00 0.00 0.00 51.96 50.85 2aqt s ALA 171 Cb 0.08 -1.30 -0.06 0.00 0.00 0.00 0.00 23.12 21.84 2aqt s ALA 171 CO 0.67 0.64 1.29 -1.25 0.00 0.00 0.00 175.76 177.11 2aqt s PRO 172 N -1.52 3.36 -1.45 0.00 0.04 -1.24 -3.31 135.00 130.88 2aqt s PRO 172 Ca 0.19 2.08 -0.06 0.00 0.04 0.00 0.00 61.00 63.25 2aqt s PRO 172 Cb -0.11 -2.32 0.03 0.00 0.04 0.00 0.00 34.50 32.14 2aqt s PRO 172 CO 0.10 -0.96 0.54 1.28 0.04 0.00 0.00 177.00 178.00 2aqt n LEU 173 N -0.82 -2.23 0.00 -3.56 4.77 -1.26 -1.88 117.00 112.02 2aqt n LEU 173 Ca 0.09 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 2aqt n LEU 173 Cb 0.46 -2.65 0.00 0.00 -2.33 0.00 0.00 43.42 38.90 2aqt n LEU 173 CO 0.51 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 2aqt n GLY 174 N -1.38 1.56 1.56 -0.72 0.00 0.20 -3.56 105.19 102.85 2aqt n GLY 174 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2aqt n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqt n GLY 175 N -2.00 0.56 0.22 -0.02 0.00 -0.79 -2.12 105.19 101.04 2aqt n GLY 175 Ca 0.00 -0.83 0.02 0.00 0.00 0.00 0.00 46.02 45.21 2aqt n GLY 175 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2aqt h GLY 176 N 0.00 0.17 0.00 -0.02 0.00 -1.59 -3.32 103.07 98.32 2aqt h GLY 176 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2aqt h GLY 176 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 176.54 177.26 2aqt n GLY 177 N -0.73 0.81 3.59 4.60 0.00 -1.26 -0.37 105.19 111.82 2aqt n GLY 177 Ca -0.01 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 2aqt n GLY 177 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2aqt n PRO 178 N 2.68 0.84 -2.81 1.61 -0.02 -1.26 -4.72 135.00 131.33 2aqt n PRO 178 Ca 0.00 0.33 -0.43 0.00 -2.02 0.00 0.00 63.50 61.38 2aqt n PRO 178 Cb 0.00 -2.07 -0.04 0.00 -0.02 0.00 0.00 33.50 31.37 2aqt n PRO 178 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2aqt s ARG 179 N -2.60 3.63 -0.15 -0.52 0.52 -1.26 -1.34 118.95 117.22 2aqt s ARG 179 Ca 0.74 0.29 -0.05 0.00 -0.52 0.00 0.00 55.73 56.19 2aqt s ARG 179 Cb -0.43 -3.89 -0.24 0.00 0.52 0.00 0.00 34.95 30.91 2aqt s ARG 179 CO 0.49 -1.15 0.23 -0.12 0.02 0.00 0.00 175.30 174.77 2aqt n MET 180 N 7.07 0.74 -3.99 3.54 1.56 -0.48 -4.70 117.12 120.86 2aqt n MET 180 Ca 0.06 0.24 -0.09 0.00 -0.27 0.00 0.00 57.70 57.64 2aqt n MET 180 Cb 0.48 -1.67 -0.10 0.00 2.15 0.00 0.00 33.22 34.08 2aqt n MET 180 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2aqt s ALA 181 N -2.55 0.13 0.06 -5.12 0.00 -0.42 -0.21 121.76 113.66 2aqt s ALA 181 Ca -0.25 -0.67 -0.21 0.00 0.00 0.00 0.00 51.96 50.83 2aqt s ALA 181 Cb 0.07 0.18 0.05 0.00 0.00 0.00 0.00 23.12 23.42 2aqt s ALA 181 CO 0.73 -0.23 0.49 0.00 0.00 0.00 0.00 175.76 176.75 2aqt s GLY 183 N -2.13 -0.19 -0.13 0.00 0.00 -0.60 -1.06 107.32 103.21 2aqt s GLY 183 Ca -0.04 0.50 -0.13 0.00 0.00 0.00 0.00 44.72 45.05 2aqt s GLY 183 CO -0.04 0.30 0.28 0.14 0.00 0.00 0.00 173.10 173.79 2aqt s VAL 184 N -0.99 5.29 -0.42 1.40 1.01 -1.26 -0.79 120.40 124.64 2aqt s VAL 184 Ca -0.11 0.53 -0.22 0.00 0.00 0.00 0.00 61.98 62.19 2aqt s VAL 184 Cb -0.04 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.75 2aqt s VAL 184 CO 0.04 0.45 0.74 -0.63 0.00 0.00 0.00 175.10 175.69 2aqt s ILE 185 N 0.01 4.73 -2.62 2.22 1.01 0.74 -4.74 121.20 122.56 2aqt s ILE 185 Ca 0.17 0.47 0.27 0.00 0.00 0.00 0.00 60.65 61.56 2aqt s ILE 185 Cb -0.13 -4.24 0.47 0.00 0.01 0.00 0.00 42.46 38.56 2aqt s ILE 185 CO 0.05 -0.59 1.63 0.29 0.00 0.00 0.00 174.94 176.33