#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqs s SER 33 N 0.00 -0.38 -0.14 0.00 1.04 -1.26 -4.40 113.70 108.56 2aqs s SER 33 Ca 0.00 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.15 2aqs s SER 33 Cb 0.00 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.74 2aqs s SER 33 CO 0.00 -1.03 -0.12 -0.63 0.98 0.00 0.00 173.24 172.45 2aqs s ILE 34 N -3.82 1.37 -0.31 -1.02 1.01 -0.54 -4.97 121.20 112.93 2aqs s ILE 34 Ca 0.05 -0.52 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 2aqs s ILE 34 Cb -0.01 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 41.10 2aqs s ILE 34 CO -0.07 0.41 0.35 -0.70 0.00 0.00 0.00 174.94 174.93 2aqs s GLU 35 N 1.57 3.76 -0.23 2.79 2.12 -1.26 -0.49 118.70 126.96 2aqs s GLU 35 Ca 0.05 -0.25 -0.10 0.00 0.36 0.00 0.00 54.97 55.03 2aqs s GLU 35 Cb -0.13 -3.74 -0.05 0.00 0.26 0.00 0.00 34.13 30.48 2aqs s GLU 35 CO -0.10 -0.40 0.13 0.08 -0.54 0.00 0.00 175.26 174.43 2aqs s VAL 36 N 2.01 5.14 -0.15 3.70 1.01 0.34 -4.88 120.40 127.56 2aqs s VAL 36 Ca 0.12 0.10 -0.25 0.00 0.00 0.00 0.00 61.98 61.95 2aqs s VAL 36 Cb -0.16 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 2aqs s VAL 36 CO 0.11 0.37 0.83 -0.54 0.00 0.00 0.00 175.10 175.87 2aqs s LYS 37 N 0.96 4.33 -0.04 2.72 -0.14 -1.26 -1.41 119.74 124.90 2aqs s LYS 37 Ca 0.06 1.03 0.02 0.00 -1.36 0.00 0.00 55.97 55.72 2aqs s LYS 37 Cb -0.13 -3.55 -0.03 0.00 -1.68 0.00 0.00 37.83 32.43 2aqs s LYS 37 CO 0.03 -0.27 -0.07 0.08 -0.76 0.00 0.00 175.35 174.37 2aqs s VAL 38 N 1.93 3.67 0.02 3.17 1.01 0.03 -4.17 120.40 126.05 2aqs s VAL 38 Ca 0.39 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.80 2aqs s VAL 38 Cb -0.17 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 2aqs s VAL 38 CO 0.14 0.52 -0.11 -1.10 0.00 0.00 0.00 175.10 174.55 2aqs s GLN 39 N -1.05 0.77 0.06 2.72 -0.21 -0.56 -1.90 119.66 119.48 2aqs s GLN 39 Ca 0.14 -0.57 -0.30 0.00 0.02 0.00 0.00 55.36 54.65 2aqs s GLN 39 Cb -0.11 -0.73 -0.05 0.00 1.00 0.00 0.00 33.01 33.13 2aqs s GLN 39 CO 0.04 0.18 1.02 -1.14 -2.12 0.00 0.00 175.29 173.27 2aqs s GLN 40 N -0.81 4.59 0.23 2.91 0.74 -0.21 -1.25 119.66 125.85 2aqs s GLN 40 Ca 0.00 1.51 -0.23 0.00 0.05 0.00 0.00 55.36 56.69 2aqs s GLN 40 Cb -0.06 -3.40 -0.09 0.00 1.10 0.00 0.00 33.01 30.56 2aqs s GLN 40 CO 0.00 0.02 0.80 -0.51 -0.55 0.00 0.00 175.29 175.05 2aqs s LEU 41 N 0.57 4.44 -0.36 3.68 1.43 -0.20 -2.41 118.68 125.83 2aqs s LEU 41 Ca 0.51 1.60 -0.04 0.00 -1.03 0.00 0.00 54.13 55.17 2aqs s LEU 41 Cb -0.24 -3.58 0.19 0.00 0.03 0.00 0.00 46.19 42.59 2aqs s LEU 41 CO 0.29 0.07 0.95 -0.62 0.23 0.00 0.00 176.35 177.27 2aqs s ASP 42 N -1.46 -0.65 0.01 2.29 2.15 -1.26 -4.94 116.67 112.80 2aqs s ASP 42 Ca 0.42 -0.42 0.00 0.00 0.43 0.00 0.00 52.55 52.98 2aqs s ASP 42 Cb -0.20 0.84 0.01 0.00 -0.30 0.00 0.00 42.92 43.28 2aqs s ASP 42 CO 0.24 -0.06 0.87 -2.65 -0.17 0.00 0.00 175.17 173.40 2aqs n PRO 43 N 3.65 0.00 0.00 4.34 -0.02 -1.26 -1.11 135.00 140.60 2aqs n PRO 43 Ca 0.08 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2aqs n PRO 43 Cb 0.62 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 2aqs n PRO 43 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2aqs n VAL 44 N -1.38 0.00 0.25 -1.45 0.31 -1.26 -4.68 118.33 110.12 2aqs n VAL 44 Ca -0.00 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.47 2aqs n VAL 44 Cb 0.14 -0.58 0.55 0.00 -0.91 0.00 0.00 33.84 33.04 2aqs n VAL 44 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2aqs h ASN 45 N 0.00 0.00 -5.00 4.52 -0.26 -2.01 -3.49 115.58 109.34 2aqs h ASN 45 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2aqs h ASN 45 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 2aqs h ASN 45 CO 0.00 0.10 0.00 0.61 -1.06 0.00 0.00 177.43 177.08 2aqs n GLY 46 N 0.17 2.80 3.92 2.83 0.00 -0.27 -5.08 105.19 109.55 2aqs n GLY 46 Ca 0.01 -2.06 -0.26 0.00 0.00 0.00 0.00 46.02 43.71 2aqs n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2aqs s ASN 47 N 0.00 6.12 -0.04 1.61 0.01 -1.25 -4.27 114.94 117.13 2aqs s ASN 47 Ca 0.00 0.78 0.04 0.00 -0.71 0.00 0.00 52.86 52.96 2aqs s ASN 47 Cb 0.00 -2.07 0.00 0.00 0.41 0.00 0.00 41.25 39.59 2aqs s ASN 47 CO 0.00 -0.63 -0.14 -0.54 -1.51 0.00 0.00 177.10 174.28 2aqs s LYS 48 N -4.71 1.49 0.07 -0.60 -0.14 -1.01 -4.93 119.74 109.90 2aqs s LYS 48 Ca 0.48 -0.49 -0.31 0.00 -1.36 0.00 0.00 55.97 54.29 2aqs s LYS 48 Cb -0.10 -1.31 -0.09 0.00 -1.68 0.00 0.00 37.83 34.65 2aqs s LYS 48 CO 0.43 0.18 1.70 -0.51 -0.76 0.00 0.00 175.35 176.40 2aqs s ASP 49 N 0.14 6.56 0.00 2.83 1.01 -1.26 -1.05 116.67 124.90 2aqs s ASP 49 Ca -0.04 2.54 0.04 0.00 0.71 0.00 0.00 52.55 55.80 2aqs s ASP 49 Cb -0.11 -2.56 0.11 0.00 1.01 0.00 0.00 42.92 41.37 2aqs s ASP 49 CO 0.02 -0.92 1.03 1.33 0.21 0.00 0.00 175.17 176.84 2aqs n VAL 50 N 4.79 0.83 0.00 -1.27 0.24 -0.80 -4.91 118.33 117.21 2aqs n VAL 50 Ca 0.16 -0.92 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 2aqs n VAL 50 Cb 0.40 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 2aqs n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aqs n GLY 51 N -0.02 0.38 3.25 7.63 0.00 -1.23 -0.56 105.19 114.64 2aqs n GLY 51 Ca 0.04 -2.10 -0.14 0.00 0.00 0.00 0.00 46.02 43.82 2aqs n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aqs s THR 52 N -0.25 0.20 -0.05 2.61 -4.23 -0.87 -0.79 115.64 112.26 2aqs s THR 52 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 2aqs s THR 52 Cb 0.00 -2.54 0.03 0.00 1.34 0.00 0.00 72.50 71.32 2aqs s THR 52 CO 0.00 0.00 0.03 -0.69 -0.54 0.00 0.00 174.62 173.42 2aqs s VAL 53 N -3.95 0.10 -0.19 2.29 1.01 -0.50 -0.68 120.40 118.48 2aqs s VAL 53 Ca 0.38 0.28 -0.08 0.00 0.00 0.00 0.00 61.98 62.57 2aqs s VAL 53 Cb 0.07 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 2aqs s VAL 53 CO 0.14 0.20 0.07 -0.89 0.00 0.00 0.00 175.10 174.63 2aqs s THR 54 N 1.97 4.88 -0.19 3.92 2.01 0.51 -0.51 115.64 128.22 2aqs s THR 54 Ca 0.03 -0.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.96 2aqs s THR 54 Cb -0.12 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 2aqs s THR 54 CO -0.04 0.45 0.06 -0.63 -0.69 0.00 0.00 174.62 173.78 2aqs s ILE 55 N 0.41 4.70 0.20 1.82 1.01 0.36 -0.48 121.20 129.21 2aqs s ILE 55 Ca 0.04 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.64 2aqs s ILE 55 Cb -0.12 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 2aqs s ILE 55 CO 0.00 0.44 0.02 0.42 0.00 0.00 0.00 174.94 175.82 2aqs s THR 56 N 0.60 0.69 -0.12 2.92 -4.23 -0.46 -1.47 115.64 113.58 2aqs s THR 56 Ca 0.03 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.49 2aqs s THR 56 Cb -0.13 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 2aqs s THR 56 CO 0.01 -0.36 0.12 -1.61 -0.54 0.00 0.00 174.62 172.24 2aqs s GLU 57 N -3.93 3.39 0.36 3.99 2.02 -1.26 -0.42 118.70 122.85 2aqs s GLU 57 Ca 0.27 -0.17 0.04 0.00 0.02 0.00 0.00 54.97 55.13 2aqs s GLU 57 Cb 0.06 -3.14 -0.05 0.00 0.10 0.00 0.00 34.13 31.10 2aqs s GLU 57 CO 0.06 0.76 0.08 -1.54 0.02 0.00 0.00 175.26 174.65 2aqs s SER 58 N -0.99 2.56 0.00 -0.19 1.04 -0.80 -4.90 113.70 110.42 2aqs s SER 58 Ca 0.15 -1.50 0.19 0.00 0.48 0.00 0.00 55.95 55.27 2aqs s SER 58 Cb -0.12 0.17 1.04 0.00 0.10 0.00 0.00 66.02 67.21 2aqs s SER 58 CO 0.04 -0.74 1.56 0.59 0.98 0.00 0.00 173.24 175.66 2aqs n ASN 59 N -0.93 0.00 0.00 7.02 5.03 -1.26 -2.87 115.26 122.25 2aqs n ASN 59 Ca -0.04 -0.26 0.00 0.00 0.87 0.00 0.00 54.58 55.15 2aqs n ASN 59 Cb 0.66 -0.16 0.00 0.00 -1.02 0.00 0.00 39.78 39.26 2aqs n ASN 59 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2aqs n TYR 60 N -1.16 0.00 0.00 3.10 4.01 -1.26 -5.12 117.16 116.73 2aqs n TYR 60 Ca 0.11 -0.30 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 2aqs n TYR 60 Cb 0.11 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 2aqs n TYR 60 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aqs n GLY 61 N -0.30 1.69 3.75 2.72 0.00 -1.14 -4.18 105.19 107.73 2aqs n GLY 61 Ca 0.00 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 2aqs n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqs s LEU 62 N 0.00 4.49 -0.15 0.99 1.43 -0.10 -1.90 118.68 123.45 2aqs s LEU 62 Ca 0.00 2.29 -0.03 0.00 -1.03 0.00 0.00 54.13 55.36 2aqs s LEU 62 Cb 0.00 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 2aqs s LEU 62 CO 0.00 -0.29 -0.04 -0.69 0.23 0.00 0.00 176.35 175.56 2aqs s VAL 63 N -0.63 3.88 -0.33 -1.59 1.01 0.44 -1.15 120.40 122.04 2aqs s VAL 63 Ca 0.49 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.03 2aqs s VAL 63 Cb -0.33 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.39 2aqs s VAL 63 CO 0.40 0.50 0.11 -0.36 0.00 0.00 0.00 175.10 175.75 2aqs s PHE 64 N 0.25 3.22 -0.36 5.22 0.40 -0.02 -1.35 117.98 125.33 2aqs s PHE 64 Ca -0.03 -1.23 -0.08 0.00 -0.60 0.00 0.00 56.93 54.99 2aqs s PHE 64 Cb -0.14 -2.29 0.05 0.00 0.51 0.00 0.00 43.02 41.15 2aqs s PHE 64 CO 0.03 -0.67 0.16 0.99 0.70 0.00 0.00 175.22 176.43 2aqs s THR 65 N 1.45 4.06 0.52 0.64 2.01 0.37 -1.44 115.64 123.25 2aqs s THR 65 Ca 0.00 -1.14 -0.10 0.00 0.31 0.00 0.00 61.69 60.76 2aqs s THR 65 Cb -0.19 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 68.94 2aqs s THR 65 CO 0.03 -0.27 0.90 -2.16 -0.69 0.00 0.00 174.62 172.43 2aqs s PRO 66 N 1.44 3.68 -0.44 4.92 0.04 -1.26 -0.36 135.00 143.02 2aqs s PRO 66 Ca 0.00 0.58 0.07 0.00 0.04 0.00 0.00 61.00 61.69 2aqs s PRO 66 Cb -0.20 -2.23 0.26 0.00 0.04 0.00 0.00 34.50 32.36 2aqs s PRO 66 CO 0.04 -0.31 0.74 -3.47 0.04 0.00 0.00 177.00 174.04 2aqs n ASP 67 N -2.12 -1.35 -4.70 6.66 4.64 0.14 -4.09 116.55 115.73 2aqs n ASP 67 Ca 0.04 -3.06 -0.23 0.00 -1.38 0.00 0.00 54.79 50.16 2aqs n ASP 67 Cb 0.54 0.66 -0.06 0.00 -1.04 0.00 0.00 41.12 41.21 2aqs n ASP 67 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2aqs s LEU 68 N -1.12 3.41 0.13 -2.67 1.43 -0.59 -2.06 118.68 117.22 2aqs s LEU 68 Ca 0.33 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 52.79 2aqs s LEU 68 Cb 0.22 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.51 2aqs s LEU 68 CO -0.17 0.01 0.43 0.00 0.23 0.00 0.00 176.35 176.85 2aqs s GLN 69 N -3.58 1.10 -0.17 1.70 -2.07 0.27 -1.55 119.66 115.36 2aqs s GLN 69 Ca 0.31 -0.67 0.00 0.00 -1.82 0.00 0.00 55.36 53.18 2aqs s GLN 69 Cb -0.07 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.33 2aqs s GLN 69 CO 0.21 -0.44 0.00 0.41 -1.32 0.00 0.00 175.29 174.15 2aqs n GLY 70 N -0.25 0.52 3.84 2.60 0.00 -0.83 -4.63 105.19 106.44 2aqs n GLY 70 Ca -0.16 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 2aqs n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqs s LEU 71 N -0.36 3.86 0.22 0.99 1.43 -0.86 -5.07 118.68 118.90 2aqs s LEU 71 Ca 0.00 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 2aqs s LEU 71 Cb 0.00 -2.40 -0.09 0.00 0.03 0.00 0.00 46.19 43.73 2aqs s LEU 71 CO 0.00 -0.03 1.21 -0.94 0.23 0.00 0.00 176.35 176.82 2aqs s SER 72 N -3.80 7.05 0.76 2.29 1.04 -1.26 -4.16 113.70 115.62 2aqs s SER 72 Ca 0.33 2.32 -0.14 0.00 0.48 0.00 0.00 55.95 58.93 2aqs s SER 72 Cb -0.08 -2.62 0.05 0.00 0.10 0.00 0.00 66.02 63.48 2aqs s SER 72 CO 0.25 -0.38 1.21 -1.83 0.98 0.00 0.00 173.24 173.47 2aqs s GLU 73 N -0.59 1.97 0.00 4.02 -1.05 -1.26 -4.75 118.70 117.04 2aqs s GLU 73 Ca 0.52 1.75 0.00 0.00 -0.15 0.00 0.00 54.97 57.09 2aqs s GLU 73 Cb -0.34 -1.81 0.00 0.00 -0.44 0.00 0.00 34.13 31.54 2aqs s GLU 73 CO 0.39 -1.96 0.00 0.41 0.95 0.00 0.00 175.26 175.05 2aqs n GLY 74 N 0.39 1.37 3.74 -3.83 0.00 0.11 -4.94 105.19 102.04 2aqs n GLY 74 Ca 0.13 -2.22 -0.40 0.00 0.00 0.00 0.00 46.02 43.53 2aqs n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqs s LEU 75 N 0.00 4.41 -0.04 0.99 1.43 -1.26 -1.40 118.68 122.80 2aqs s LEU 75 Ca 0.00 1.32 0.05 0.00 -1.03 0.00 0.00 54.13 54.47 2aqs s LEU 75 Cb 0.00 -3.13 -0.00 0.00 0.03 0.00 0.00 46.19 43.09 2aqs s LEU 75 CO 0.00 0.00 -0.19 -1.00 0.23 0.00 0.00 176.35 175.39 2aqs s HIS 76 N 0.13 1.84 0.28 0.29 3.76 0.44 -3.57 115.29 118.45 2aqs s HIS 76 Ca 0.37 -0.53 -0.30 0.00 -0.15 0.00 0.00 55.06 54.45 2aqs s HIS 76 Cb -0.19 -1.23 -0.13 0.00 1.11 0.00 0.00 32.58 32.14 2aqs s HIS 76 CO 0.21 -0.17 1.38 0.41 -0.85 0.00 0.00 174.74 175.71 2aqs n GLY 77 N 3.09 0.74 2.73 -2.22 0.00 0.64 -1.26 105.19 108.92 2aqs n GLY 77 Ca -0.18 0.43 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 2aqs n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2aqs s PHE 78 N -0.40 0.86 0.04 1.61 5.36 -1.26 -0.59 117.98 123.61 2aqs s PHE 78 Ca 0.64 -0.64 -0.03 0.00 -0.96 0.00 0.00 56.93 55.93 2aqs s PHE 78 Cb -0.61 -0.94 -0.02 0.00 -0.34 0.00 0.00 43.02 41.10 2aqs s PHE 78 CO 0.54 -0.53 0.04 -1.01 -1.46 0.00 0.00 175.22 172.79 2aqs s HIS 79 N 1.91 0.33 -0.14 10.12 3.76 -0.75 -2.57 115.29 127.95 2aqs s HIS 79 Ca 0.01 -0.73 -0.18 0.00 -0.15 0.00 0.00 55.06 54.01 2aqs s HIS 79 Cb -0.16 -0.24 -0.04 0.00 1.11 0.00 0.00 32.58 33.26 2aqs s HIS 79 CO -0.07 -0.36 0.46 0.42 -0.85 0.00 0.00 174.74 174.34 2aqs s ILE 80 N -3.05 5.19 0.20 0.60 1.01 0.43 -0.11 121.20 125.47 2aqs s ILE 80 Ca -0.01 0.90 0.05 0.00 0.00 0.00 0.00 60.65 61.59 2aqs s ILE 80 Cb 0.02 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 2aqs s ILE 80 CO -0.07 0.30 0.21 -1.00 0.00 0.00 0.00 174.94 174.38 2aqs s HIS 81 N 0.81 3.22 0.19 3.97 3.76 0.12 -0.65 115.29 126.71 2aqs s HIS 81 Ca 0.24 -0.03 -0.12 0.00 -0.15 0.00 0.00 55.06 55.00 2aqs s HIS 81 Cb -0.15 -1.50 0.16 0.00 1.11 0.00 0.00 32.58 32.20 2aqs s HIS 81 CO 0.09 0.51 1.79 1.05 -0.85 0.00 0.00 174.74 177.33 2aqs h GLU 82 N 1.88 0.51 -6.12 1.40 4.11 -1.06 -2.47 114.58 112.84 2aqs h GLU 82 Ca -0.49 -0.03 -0.59 0.00 0.07 0.00 0.00 59.36 58.32 2aqs h GLU 82 Cb 1.22 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 2aqs h GLU 82 CO 0.63 0.34 -0.20 -0.80 0.07 0.00 0.00 179.01 179.04 2aqs s ASN 83 N -5.51 6.73 -0.70 3.06 0.01 0.46 -4.50 114.94 114.49 2aqs s ASN 83 Ca -0.13 0.90 -0.07 0.00 -0.71 0.00 0.00 52.86 52.85 2aqs s ASN 83 Cb 0.14 -2.22 -0.17 0.00 0.41 0.00 0.00 41.25 39.41 2aqs s ASN 83 CO 0.74 0.21 3.11 -0.81 -1.51 0.00 0.00 177.10 178.84 2aqs n PRO 84 N 1.19 2.57 -3.78 -0.60 -0.04 -1.24 -3.24 135.00 129.86 2aqs n PRO 84 Ca -0.09 -1.45 -0.13 0.00 -0.04 0.00 0.00 63.50 61.79 2aqs n PRO 84 Cb 0.52 -2.32 -0.10 0.00 -0.04 0.00 0.00 33.50 31.56 2aqs n PRO 84 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2aqs s SER 85 N 2.23 -0.23 -0.03 3.54 0.15 -1.26 -4.94 113.70 113.16 2aqs s SER 85 Ca 0.63 0.33 0.04 0.00 0.70 0.00 0.00 55.95 57.65 2aqs s SER 85 Cb 0.23 0.46 0.07 0.00 -1.71 0.00 0.00 66.02 65.07 2aqs s SER 85 CO -0.03 -0.25 1.04 0.00 1.20 0.00 0.00 173.24 175.20 2aqs s GLU 87 N -1.40 3.64 0.61 0.00 0.41 -1.26 -3.89 118.70 116.81 2aqs s GLU 87 Ca 0.07 1.81 -0.14 0.00 -0.41 0.00 0.00 54.97 56.30 2aqs s GLU 87 Cb 0.06 -2.34 -0.03 0.00 -1.78 0.00 0.00 34.13 30.03 2aqs s GLU 87 CO 0.01 -0.66 1.04 -1.25 -0.49 0.00 0.00 175.26 173.90 2aqs s PRO 88 N -2.79 3.40 -0.04 0.39 0.04 -1.26 -0.50 135.00 134.25 2aqs s PRO 88 Ca 0.66 1.01 0.01 0.00 0.04 0.00 0.00 61.00 62.71 2aqs s PRO 88 Cb -0.29 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.21 2aqs s PRO 88 CO 0.35 -0.73 -0.05 0.21 0.04 0.00 0.00 177.00 176.83 2aqs s LYS 89 N -4.51 0.80 0.14 4.56 2.20 0.47 -4.60 119.74 118.80 2aqs s LYS 89 Ca 0.60 -0.13 -0.31 0.00 -0.36 0.00 0.00 55.97 55.76 2aqs s LYS 89 Cb -0.13 -0.80 -0.09 0.00 -1.51 0.00 0.00 37.83 35.30 2aqs s LYS 89 CO 0.43 -0.04 1.45 -2.00 -0.36 0.00 0.00 175.35 174.83 2aqs s GLU 90 N 0.74 4.29 -0.19 4.03 -6.30 -1.26 -1.40 118.70 118.61 2aqs s GLU 90 Ca -0.10 2.18 -0.05 0.00 -2.50 0.00 0.00 54.97 54.50 2aqs s GLU 90 Cb -0.13 -3.21 0.09 0.00 0.00 0.00 0.00 34.13 30.89 2aqs s GLU 90 CO 0.00 -0.48 0.34 -2.00 0.02 0.00 0.00 175.26 173.13 2aqs s GLU 91 N 1.01 0.26 -1.19 4.30 2.12 0.62 -4.91 118.70 120.91 2aqs s GLU 91 Ca 0.66 0.71 -0.02 0.00 0.36 0.00 0.00 54.97 56.68 2aqs s GLU 91 Cb -0.39 -0.20 0.00 0.00 0.26 0.00 0.00 34.13 33.80 2aqs s GLU 91 CO 0.31 -0.42 1.01 0.39 -0.54 0.00 0.00 175.26 176.01 2aqs n GLU 92 N 5.36 -6.70 -0.58 4.30 1.02 -1.26 -1.88 120.64 120.91 2aqs n GLU 92 Ca -0.06 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 57.90 2aqs n GLU 92 Cb 0.50 -5.77 0.00 0.00 -0.02 0.00 0.00 31.44 26.15 2aqs n GLU 92 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2aqs n GLY 93 N -1.30 1.22 3.39 0.62 0.00 -1.26 -4.99 105.19 102.87 2aqs n GLY 93 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 2aqs n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2aqs s GLU 94 N -0.18 1.96 -1.06 1.61 2.02 -0.79 -5.07 118.70 117.19 2aqs s GLU 94 Ca 0.00 -1.02 -0.15 0.00 0.02 0.00 0.00 54.97 53.81 2aqs s GLU 94 Cb 0.00 -2.08 0.17 0.00 0.10 0.00 0.00 34.13 32.32 2aqs s GLU 94 CO 0.00 0.53 1.22 -1.17 0.02 0.00 0.00 175.26 175.87 2aqs s LEU 95 N -1.21 5.35 0.05 1.80 2.96 -1.26 0.23 118.68 126.60 2aqs s LEU 95 Ca 0.12 -2.67 -0.31 0.00 -0.22 0.00 0.00 54.13 51.05 2aqs s LEU 95 Cb -0.10 -2.36 -0.06 0.00 0.50 0.00 0.00 46.19 44.17 2aqs s LEU 95 CO 0.03 -0.80 1.32 -0.89 -1.32 0.00 0.00 176.35 174.68 2aqs s THR 96 N 1.56 3.74 0.40 3.68 2.01 -0.49 -4.77 115.64 121.77 2aqs s THR 96 Ca 0.35 1.21 -0.26 0.00 0.31 0.00 0.00 61.69 63.30 2aqs s THR 96 Cb -0.05 -3.77 -0.09 0.00 0.01 0.00 0.00 72.50 68.60 2aqs s THR 96 CO -0.05 0.06 1.21 0.00 -0.69 0.00 0.00 174.62 175.14 2aqs s ALA 97 N 1.59 3.20 0.00 7.40 0.00 -1.26 -0.40 121.76 132.29 2aqs s ALA 97 Ca 0.62 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.63 2aqs s ALA 97 Cb -0.32 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2aqs s ALA 97 CO 0.28 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.84 2aqs n GLY 98 N 0.67 0.01 0.28 0.00 0.00 -1.24 -4.63 105.19 100.28 2aqs n GLY 98 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.21 2aqs n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2aqs h LEU 99 N 0.00 0.00 -1.36 0.99 7.12 -1.56 -2.18 115.31 118.32 2aqs h LEU 99 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2aqs h LEU 99 Cb 0.83 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.96 2aqs h LEU 99 CO 0.00 0.08 0.00 1.23 -0.13 0.00 0.00 178.44 179.62 2aqs h GLY 100 N 0.93 0.00 2.00 3.75 0.00 -1.04 -1.65 103.07 107.07 2aqs h GLY 100 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2aqs h GLY 100 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 2aqs n ALA 101 N -1.84 2.06 -0.16 3.60 0.00 -0.82 -4.57 120.51 118.78 2aqs n ALA 101 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2aqs n ALA 101 Cb 0.13 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.17 2aqs n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aqs n GLY 102 N 0.86 -1.45 0.00 0.00 0.00 -0.62 -0.40 105.19 103.57 2aqs n GLY 102 Ca 0.05 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.78 2aqs n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqs n GLY 103 N 0.00 0.02 3.75 -0.02 0.00 -1.26 -4.68 105.19 103.00 2aqs n GLY 103 Ca 0.00 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 2aqs n GLY 103 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aqs s HIS 104 N -0.18 3.00 0.06 1.61 3.76 -1.26 -1.18 115.29 121.11 2aqs s HIS 104 Ca 0.00 1.14 -0.30 0.00 -0.15 0.00 0.00 55.06 55.75 2aqs s HIS 104 Cb 0.00 -3.79 -0.09 0.00 1.11 0.00 0.00 32.58 29.81 2aqs s HIS 104 CO 0.00 -2.45 1.90 -0.46 -0.85 0.00 0.00 174.74 172.88 2aqs s TRP 105 N -0.37 1.64 -0.41 1.40 -0.00 0.18 -4.56 118.94 116.82 2aqs s TRP 105 Ca 0.56 -0.27 0.09 0.00 -0.00 0.00 0.00 56.10 56.48 2aqs s TRP 105 Cb -0.41 -4.20 0.29 0.00 -0.00 0.00 0.00 33.47 29.14 2aqs s TRP 105 CO 0.47 -5.22 0.71 -3.47 -0.00 0.00 0.00 176.95 169.44 2aqs n ASP 106 N 6.82 -0.42 0.30 5.86 2.03 -1.26 -1.81 116.55 128.07 2aqs n ASP 106 Ca 0.19 -3.00 0.16 0.00 0.52 0.00 0.00 54.79 52.65 2aqs n ASP 106 Cb 0.40 0.06 0.94 0.00 -0.72 0.00 0.00 41.12 41.80 2aqs n ASP 106 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2aqs h PRO 107 N 3.59 0.00 -0.28 -0.67 0.13 -1.98 -1.92 132.00 130.87 2aqs h PRO 107 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2aqs h PRO 107 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2aqs h PRO 107 CO 0.41 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.81 2aqs n LYS 108 N -3.80 2.22 -3.60 0.86 5.02 -1.26 -4.97 118.16 112.62 2aqs n LYS 108 Ca -0.03 -1.83 -0.22 0.00 -2.02 0.00 0.00 58.31 54.21 2aqs n LYS 108 Cb 0.08 -1.47 0.07 0.00 -0.02 0.00 0.00 35.03 33.69 2aqs n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aqs n GLY 109 N 1.36 -0.45 0.16 0.72 0.00 -0.72 -4.89 105.19 101.37 2aqs n GLY 109 Ca 0.18 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.38 2aqs n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqs h ALA 110 N 0.95 1.14 -6.13 4.61 0.00 -1.87 -3.46 119.26 114.50 2aqs h ALA 110 Ca -0.58 -0.47 -0.47 0.00 0.00 0.00 0.00 54.91 53.39 2aqs h ALA 110 Cb 1.36 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 2aqs h ALA 110 CO 0.56 0.65 -0.72 1.63 0.00 0.00 0.00 179.25 181.37 2aqs n LYS 111 N -3.92 -4.32 -3.65 0.00 5.02 -1.26 -4.89 118.16 105.13 2aqs n LYS 111 Ca -0.01 0.52 -0.12 0.00 -2.02 0.00 0.00 58.31 56.67 2aqs n LYS 111 Cb 0.53 -5.32 -0.08 0.00 -0.02 0.00 0.00 35.03 30.14 2aqs n LYS 111 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2aqs s GLN 112 N -6.52 0.71 0.07 1.97 0.74 -1.26 -5.06 119.66 110.32 2aqs s GLN 112 Ca 0.61 0.98 -0.20 0.00 0.05 0.00 0.00 55.36 56.80 2aqs s GLN 112 Cb -0.32 0.28 -0.07 0.00 1.10 0.00 0.00 33.01 34.00 2aqs s GLN 112 CO 0.75 -0.11 0.59 -1.58 -0.55 0.00 0.00 175.29 174.39 2aqs s HIS 113 N 0.76 3.80 0.00 1.67 5.65 -1.26 -0.71 115.29 125.20 2aqs s HIS 113 Ca -0.03 1.30 0.00 0.00 0.25 0.00 0.00 55.06 56.57 2aqs s HIS 113 Cb -0.05 -2.53 0.00 0.00 -1.18 0.00 0.00 32.58 28.82 2aqs s HIS 113 CO -0.06 0.55 0.00 0.41 -0.65 0.00 0.00 174.74 175.00 2aqs n GLY 114 N 1.80 3.60 3.89 1.59 0.00 -1.26 -3.98 105.19 110.83 2aqs n GLY 114 Ca -0.10 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 2aqs n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aqs s TYR 115 N -1.28 3.56 0.46 1.61 2.02 -1.25 -4.60 117.35 117.87 2aqs s TYR 115 Ca 0.00 1.01 0.26 0.00 -0.37 0.00 0.00 57.07 57.97 2aqs s TYR 115 Cb 0.00 -2.46 1.47 0.00 -0.40 0.00 0.00 41.96 40.57 2aqs s TYR 115 CO 0.00 -0.36 2.10 -1.35 -1.57 0.00 0.00 175.55 174.37 2aqs h PRO 116 N 0.31 0.00 -0.61 -1.71 0.11 -1.86 -2.01 132.00 126.23 2aqs h PRO 116 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2aqs h PRO 116 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2aqs h PRO 116 CO 0.62 0.10 0.00 -2.67 -0.21 0.00 0.00 178.00 175.84 2aqs n TRP 117 N -3.78 1.34 -3.52 0.65 2.14 -1.26 -4.19 117.44 108.82 2aqs n TRP 117 Ca -0.02 -0.61 -0.41 0.00 2.07 0.00 0.00 57.50 58.53 2aqs n TRP 117 Cb 0.20 -0.21 -0.10 0.00 -0.81 0.00 0.00 31.31 30.39 2aqs n TRP 117 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2aqs s GLN 118 N -1.77 3.35 0.45 -2.67 0.74 -0.76 -4.99 119.66 114.01 2aqs s GLN 118 Ca 0.49 -0.75 0.16 0.00 0.05 0.00 0.00 55.36 55.30 2aqs s GLN 118 Cb 0.31 -3.84 1.05 0.00 1.10 0.00 0.00 33.01 31.63 2aqs s GLN 118 CO 0.24 -0.52 2.00 -0.44 -0.55 0.00 0.00 175.29 176.01 2aqs h ASP 119 N 8.52 0.00 -0.90 6.67 3.32 -1.90 -2.97 116.42 129.16 2aqs h ASP 119 Ca -0.30 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.23 2aqs h ASP 119 Cb 1.15 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.42 2aqs h ASP 119 CO 0.66 0.18 0.67 -0.90 -1.72 0.00 0.00 179.24 178.12 2aqs n ASP 120 N -4.24 5.00 -4.49 6.45 5.75 -1.26 -4.90 116.55 118.86 2aqs n ASP 120 Ca -0.02 -3.53 -0.24 0.00 -0.01 0.00 0.00 54.79 50.99 2aqs n ASP 120 Cb 0.25 -0.87 -0.10 0.00 -1.03 0.00 0.00 41.12 39.36 2aqs n ASP 120 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2aqs s ALA 121 N -3.15 2.69 0.24 2.12 0.00 -1.12 -4.61 121.76 117.93 2aqs s ALA 121 Ca 0.54 -1.99 -0.30 0.00 0.00 0.00 0.00 51.96 50.21 2aqs s ALA 121 Cb 0.44 0.01 -0.15 0.00 0.00 0.00 0.00 23.12 23.43 2aqs s ALA 121 CO 0.06 0.05 1.03 0.72 0.00 0.00 0.00 175.76 177.62 2aqs n HIS 122 N -0.69 1.15 0.35 0.00 8.25 0.11 -4.79 115.22 119.60 2aqs n HIS 122 Ca -0.05 0.71 0.14 0.00 -0.26 0.00 0.00 57.72 58.26 2aqs n HIS 122 Cb 0.63 -2.24 0.58 0.00 1.12 0.00 0.00 29.99 30.08 2aqs n HIS 122 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2aqs h LEU 123 N 2.42 0.00 -0.79 2.41 5.85 -1.89 -2.65 115.31 120.65 2aqs h LEU 123 Ca -0.40 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2aqs h LEU 123 Cb 1.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.38 2aqs h LEU 123 CO 0.64 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 179.35 2aqs n GLY 124 N 0.03 -0.06 3.54 3.75 0.00 -0.75 -4.80 105.19 106.90 2aqs n GLY 124 Ca 0.01 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 2aqs n GLY 124 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aqs s ASP 125 N -1.45 6.35 0.39 1.61 1.01 -1.00 -0.42 116.67 123.16 2aqs s ASP 125 Ca 0.28 -0.22 0.06 0.00 0.71 0.00 0.00 52.55 53.37 2aqs s ASP 125 Cb 0.14 -2.50 -0.00 0.00 1.01 0.00 0.00 42.92 41.58 2aqs s ASP 125 CO 0.22 -1.41 0.54 -0.76 0.21 0.00 0.00 175.17 173.97 2aqs s LEU 126 N 4.55 3.80 0.58 1.23 1.43 -1.06 -3.93 118.68 125.28 2aqs s LEU 126 Ca 0.35 -0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 53.08 2aqs s LEU 126 Cb -0.10 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 2aqs s LEU 126 CO 0.21 -0.60 1.14 -2.84 0.23 0.00 0.00 176.35 174.48 2aqs s PRO 127 N -4.31 3.15 0.59 1.29 0.02 -1.26 -4.62 135.00 129.86 2aqs s PRO 127 Ca 0.49 1.61 -0.19 0.00 0.02 0.00 0.00 61.00 62.93 2aqs s PRO 127 Cb -0.10 -1.98 -0.03 0.00 0.02 0.00 0.00 34.50 32.41 2aqs s PRO 127 CO 0.33 -1.02 1.25 0.00 -0.33 0.00 0.00 177.00 177.23 2aqs s ALA 128 N -1.85 2.57 -0.02 -1.55 0.00 -1.26 -4.50 121.76 115.14 2aqs s ALA 128 Ca 0.73 1.11 -0.13 0.00 0.00 0.00 0.00 51.96 53.67 2aqs s ALA 128 Cb -0.25 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.33 2aqs s ALA 128 CO 0.31 -1.28 0.35 -0.51 0.00 0.00 0.00 175.76 174.63 2aqs s LEU 129 N -4.00 4.45 -0.23 0.00 1.43 -0.39 -4.88 118.68 115.07 2aqs s LEU 129 Ca 0.77 0.85 -0.08 0.00 -1.03 0.00 0.00 54.13 54.64 2aqs s LEU 129 Cb -0.34 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.34 2aqs s LEU 129 CO 0.37 0.33 0.09 -0.89 0.23 0.00 0.00 176.35 176.48 2aqs s THR 130 N -1.09 4.61 -0.19 5.49 2.01 -1.26 -0.42 115.64 124.79 2aqs s THR 130 Ca 0.22 -0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.11 2aqs s THR 130 Cb -0.16 -3.14 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 2aqs s THR 130 CO 0.12 0.36 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.69 2aqs s VAL 131 N 1.26 3.76 0.99 3.82 1.01 -0.49 -4.46 120.40 126.28 2aqs s VAL 131 Ca 0.05 -0.38 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 2aqs s VAL 131 Cb -0.14 -2.68 0.20 0.00 0.00 0.00 0.00 36.38 33.75 2aqs s VAL 131 CO 0.04 0.45 1.23 -0.76 0.00 0.00 0.00 175.10 176.06 2aqs s LEU 132 N 0.92 2.15 0.37 3.92 1.43 0.05 -0.71 118.68 126.81 2aqs s LEU 132 Ca 0.00 0.50 0.07 0.00 -1.03 0.00 0.00 54.13 53.67 2aqs s LEU 132 Cb -0.14 -2.56 0.78 0.00 0.03 0.00 0.00 46.19 44.29 2aqs s LEU 132 CO 0.01 -2.92 1.97 -0.74 0.23 0.00 0.00 176.35 174.90 2aqs h HIS 133 N -1.77 0.71 0.00 0.29 -0.00 -1.96 -0.58 115.15 111.84 2aqs h HIS 133 Ca -0.46 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.93 2aqs h HIS 133 Cb 1.27 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 28.45 2aqs h HIS 133 CO -1.00 0.38 0.00 -0.40 -0.00 0.00 0.00 177.93 176.90 2aqs n ASP 134 N -4.48 0.00 0.00 3.26 3.85 -1.26 -4.78 116.55 113.14 2aqs n ASP 134 Ca 0.10 -1.48 0.00 0.00 -0.71 0.00 0.00 54.79 52.70 2aqs n ASP 134 Cb 0.23 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.00 2aqs n ASP 134 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2aqs n GLY 135 N 0.55 0.66 3.87 6.12 0.00 -0.23 -4.70 105.19 111.46 2aqs n GLY 135 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 2aqs n GLY 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aqs s THR 136 N -2.60 4.67 -0.11 2.61 -4.23 -1.26 -1.97 115.64 112.75 2aqs s THR 136 Ca 0.00 -1.28 -0.03 0.00 -1.18 0.00 0.00 61.69 59.20 2aqs s THR 136 Cb 0.00 -3.54 0.05 0.00 1.34 0.00 0.00 72.50 70.35 2aqs s THR 136 CO 0.00 -0.34 0.09 0.00 -0.54 0.00 0.00 174.62 173.84 2aqs s ALA 137 N -2.09 0.23 0.00 3.99 0.00 -0.60 -0.77 121.76 122.51 2aqs s ALA 137 Ca 0.33 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.34 2aqs s ALA 137 Cb -0.08 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.19 2aqs s ALA 137 CO 0.26 -0.81 0.18 0.25 0.00 0.00 0.00 175.76 175.65 2aqs n THR 138 N 5.30 0.00 -2.57 0.00 -2.24 -1.26 -1.55 114.28 111.96 2aqs n THR 138 Ca -0.05 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.10 2aqs n THR 138 Cb 0.50 1.56 -0.02 0.00 -2.10 0.00 0.00 70.33 70.26 2aqs n THR 138 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2aqs s ASN 139 N -0.03 6.91 0.52 3.42 3.04 -1.26 -4.52 114.94 123.02 2aqs s ASN 139 Ca 0.00 1.22 -0.18 0.00 0.04 0.00 0.00 52.86 53.94 2aqs s ASN 139 Cb 0.00 -2.54 -0.07 0.00 -1.54 0.00 0.00 41.25 37.10 2aqs s ASN 139 CO 0.00 -0.87 1.04 -2.16 -3.04 0.00 0.00 177.10 172.06 2aqs s PRO 140 N 3.67 3.66 0.06 0.43 0.04 -1.26 -4.47 135.00 137.13 2aqs s PRO 140 Ca 0.49 1.26 0.03 0.00 0.04 0.00 0.00 61.00 62.82 2aqs s PRO 140 Cb -0.15 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 2aqs s PRO 140 CO 0.15 -0.54 -0.10 0.14 0.04 0.00 0.00 177.00 176.70 2aqs s VAL 141 N -2.22 0.78 -0.10 -0.36 -7.23 -0.52 -4.96 120.40 105.79 2aqs s VAL 141 Ca 0.65 -1.30 -0.03 0.00 -1.81 0.00 0.00 61.98 59.49 2aqs s VAL 141 Cb -0.15 -0.95 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 2aqs s VAL 141 CO 0.27 -0.40 0.02 -0.22 -0.31 0.00 0.00 175.10 174.45 2aqs s LEU 142 N -1.88 3.65 -0.57 1.32 2.96 -1.26 -0.84 118.68 122.06 2aqs s LEU 142 Ca -0.03 0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 54.02 2aqs s LEU 142 Cb -0.08 -1.85 0.15 0.00 0.50 0.00 0.00 46.19 44.91 2aqs s LEU 142 CO 0.01 0.35 0.36 0.00 -1.32 0.00 0.00 176.35 175.75 2aqs s ALA 143 N -0.73 3.46 0.56 5.97 0.00 -0.30 -4.57 121.76 126.15 2aqs s ALA 143 Ca 0.12 -3.19 0.25 0.00 0.00 0.00 0.00 51.96 49.13 2aqs s ALA 143 Cb -0.12 -2.49 1.53 0.00 0.00 0.00 0.00 23.12 22.05 2aqs s ALA 143 CO 0.02 -2.05 2.11 -1.00 0.00 0.00 0.00 175.76 174.85 2aqs h PRO 144 N 6.97 0.00 0.00 0.00 0.13 -1.78 -2.24 132.00 135.09 2aqs h PRO 144 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2aqs h PRO 144 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2aqs h PRO 144 CO 0.70 0.00 -0.21 0.54 -0.23 0.00 0.00 178.00 178.80 2aqs n ARG 145 N -4.10 0.07 -3.37 0.86 1.74 -1.26 -4.57 116.66 106.03 2aqs n ARG 145 Ca 0.01 0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.71 2aqs n ARG 145 Cb 0.29 -1.56 -0.09 0.00 -1.02 0.00 0.00 32.46 30.08 2aqs n ARG 145 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2aqs s LEU 146 N -3.35 4.77 -0.07 0.55 1.43 -0.85 -4.92 118.68 116.24 2aqs s LEU 146 Ca 0.12 -0.58 0.19 0.00 -1.03 0.00 0.00 54.13 52.83 2aqs s LEU 146 Cb 0.17 -2.33 -0.29 0.00 0.03 0.00 0.00 46.19 43.77 2aqs s LEU 146 CO 0.61 -0.48 0.33 0.29 0.23 0.00 0.00 176.35 177.32 2aqs n LYS 147 N 5.46 0.71 -5.22 1.70 4.76 -1.26 -0.92 118.16 123.39 2aqs n LYS 147 Ca -0.09 -0.13 -0.32 0.00 -2.87 0.00 0.00 58.31 54.90 2aqs n LYS 147 Cb 0.48 -1.47 -0.17 0.00 -1.84 0.00 0.00 35.03 32.03 2aqs n LYS 147 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2aqs s HIS 148 N -3.11 2.55 0.21 2.13 3.76 -1.26 -4.81 115.29 114.75 2aqs s HIS 148 Ca -0.08 -0.99 -0.09 0.00 -0.15 0.00 0.00 55.06 53.75 2aqs s HIS 148 Cb 0.11 -1.70 0.24 0.00 1.11 0.00 0.00 32.58 32.34 2aqs s HIS 148 CO 0.81 -0.38 1.80 1.25 -0.85 0.00 0.00 174.74 177.36 2aqs h LEU 149 N 6.61 0.51 -1.93 0.89 6.46 -1.94 -2.38 115.31 123.53 2aqs h LEU 149 Ca -0.21 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.58 2aqs h LEU 149 Cb 1.23 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 41.09 2aqs h LEU 149 CO 0.47 0.33 -0.00 0.44 -0.62 0.00 0.00 178.44 179.06 2aqs h ASP 150 N 0.65 0.03 -0.02 1.25 3.45 -1.99 -2.81 116.42 116.99 2aqs h ASP 150 Ca 0.30 -0.00 0.01 0.00 0.43 0.00 0.00 57.03 57.76 2aqs h ASP 150 Cb 0.21 -0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 38.97 2aqs h ASP 150 CO -0.19 0.05 0.02 0.44 -1.57 0.00 0.00 179.24 177.99 2aqs h ASP 151 N 0.04 0.00 0.18 6.45 3.45 -1.85 -1.95 116.42 122.74 2aqs h ASP 151 Ca 0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.47 2aqs h ASP 151 Cb 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.80 2aqs h ASP 151 CO 0.00 0.00 -0.30 1.33 -1.57 0.00 0.00 179.24 178.70 2aqs n VAL 152 N -3.94 0.00 -2.16 -1.35 0.24 -1.06 -4.93 118.33 105.12 2aqs n VAL 152 Ca -0.02 -0.15 -0.38 0.00 -2.04 0.00 0.00 64.34 61.74 2aqs n VAL 152 Cb 0.11 0.57 -0.01 0.00 -1.47 0.00 0.00 33.84 33.04 2aqs n VAL 152 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2aqs s ARG 153 N -2.50 3.91 0.00 7.34 0.52 -0.74 -3.39 118.95 124.09 2aqs s ARG 153 Ca 0.23 1.97 0.00 0.00 -0.52 0.00 0.00 55.73 57.41 2aqs s ARG 153 Cb 0.19 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 33.03 2aqs s ARG 153 CO 0.53 -0.48 0.00 0.41 0.02 0.00 0.00 175.30 175.78 2aqs n GLY 154 N 0.62 0.53 0.00 -3.53 0.00 -0.58 -5.02 105.19 97.22 2aqs n GLY 154 Ca 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2aqs n GLY 154 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2aqs n HIS 155 N -2.95 0.00 -3.99 1.61 8.25 -1.22 -3.63 115.22 113.29 2aqs n HIS 155 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 2aqs n HIS 155 Cb 0.09 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.10 2aqs n HIS 155 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2aqs s SER 156 N 0.29 0.29 -0.11 0.41 1.04 -0.93 -0.70 113.70 113.98 2aqs s SER 156 Ca 0.00 -0.67 -0.01 0.00 0.48 0.00 0.00 55.95 55.75 2aqs s SER 156 Cb 0.00 0.19 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 2aqs s SER 156 CO 0.00 -0.49 -0.07 0.27 0.98 0.00 0.00 173.24 173.93 2aqs s ILE 157 N -2.73 3.65 -0.03 -1.02 -4.36 0.40 0.16 121.20 117.25 2aqs s ILE 157 Ca -0.04 -0.47 0.07 0.00 -0.26 0.00 0.00 60.65 59.95 2aqs s ILE 157 Cb -0.01 -2.54 -0.02 0.00 1.25 0.00 0.00 42.46 41.15 2aqs s ILE 157 CO -0.05 0.54 -0.24 -0.32 0.24 0.00 0.00 174.94 175.11 2aqs s MET 158 N -0.12 2.25 -0.16 0.37 1.75 0.84 -1.86 119.30 122.37 2aqs s MET 158 Ca 0.01 -0.90 0.02 0.00 -1.25 0.00 0.00 55.69 53.57 2aqs s MET 158 Cb -0.13 -2.11 0.01 0.00 2.84 0.00 0.00 34.83 35.44 2aqs s MET 158 CO 0.03 0.53 -0.20 0.42 -0.65 0.00 0.00 175.02 175.15 2aqs s ILE 159 N -0.54 2.16 0.35 10.11 1.01 -0.13 -1.81 121.20 132.36 2aqs s ILE 159 Ca 0.08 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.81 2aqs s ILE 159 Cb -0.11 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 2aqs s ILE 159 CO 0.00 0.54 0.54 -1.00 0.00 0.00 0.00 174.94 175.02 2aqs s HIS 160 N 1.00 3.41 0.11 3.97 3.76 0.25 -0.61 115.29 127.18 2aqs s HIS 160 Ca -0.02 0.23 -0.17 0.00 -0.15 0.00 0.00 55.06 54.95 2aqs s HIS 160 Cb -0.15 -1.93 -0.05 0.00 1.11 0.00 0.00 32.58 31.57 2aqs s HIS 160 CO -0.06 0.07 1.58 1.15 -0.85 0.00 0.00 174.74 176.63 2aqs h THR 161 N 0.76 1.24 -4.40 1.30 2.02 -1.12 -3.36 112.91 109.35 2aqs h THR 161 Ca -0.49 -0.84 -0.27 0.00 0.77 0.00 0.00 66.41 65.57 2aqs h THR 161 Cb 1.23 1.16 0.06 0.00 -1.74 0.00 0.00 68.15 68.86 2aqs h THR 161 CO 0.60 0.28 0.09 0.61 0.37 0.00 0.00 175.52 177.47 2aqs n GLY 162 N -0.46 0.41 0.00 2.16 0.00 0.20 -4.86 105.19 102.65 2aqs n GLY 162 Ca -0.02 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.04 2aqs n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqs n GLY 163 N 0.36 1.14 3.12 -0.02 0.00 -1.23 -0.26 105.19 108.29 2aqs n GLY 163 Ca 0.10 -1.54 -0.01 0.00 0.00 0.00 0.00 46.02 44.57 2aqs n GLY 163 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aqs s ASP 164 N -1.00 -0.85 -0.04 1.61 -1.08 -1.25 -3.16 116.67 110.89 2aqs s ASP 164 Ca 0.00 0.74 0.13 0.00 -0.52 0.00 0.00 52.55 52.90 2aqs s ASP 164 Cb 0.00 1.84 0.44 0.00 -1.46 0.00 0.00 42.92 43.74 2aqs s ASP 164 CO 0.00 -0.27 1.33 -0.46 0.52 0.00 0.00 175.17 176.29 2aqs n ASN 165 N 5.41 2.91 -3.99 -0.34 6.94 -0.88 -4.93 115.26 120.37 2aqs n ASN 165 Ca -0.03 -2.17 -0.28 0.00 -0.02 0.00 0.00 54.58 52.09 2aqs n ASN 165 Cb 0.51 -0.40 -0.02 0.00 -2.36 0.00 0.00 39.78 37.51 2aqs n ASN 165 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2aqs n HIS 166 N 0.73 -1.72 -3.57 -2.53 8.25 -1.26 -4.96 115.22 110.15 2aqs n HIS 166 Ca 0.16 0.77 -0.10 0.00 -0.26 0.00 0.00 57.72 58.29 2aqs n HIS 166 Cb 0.52 -3.64 -0.02 0.00 1.12 0.00 0.00 29.99 27.97 2aqs n HIS 166 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2aqs s SER 167 N -4.09 -0.45 0.00 0.41 0.15 -1.26 -3.78 113.70 104.69 2aqs s SER 167 Ca 0.19 -0.20 0.21 0.00 0.70 0.00 0.00 55.95 56.86 2aqs s SER 167 Cb -0.10 0.62 0.54 0.00 -1.71 0.00 0.00 66.02 65.37 2aqs s SER 167 CO 0.89 -1.06 1.45 0.47 1.20 0.00 0.00 173.24 176.18 2aqs n ASP 168 N -0.40 2.77 -4.06 5.45 8.00 -1.26 -0.96 116.55 126.10 2aqs n ASP 168 Ca -0.12 -1.90 -0.24 0.00 0.71 0.00 0.00 54.79 53.23 2aqs n ASP 168 Cb 0.63 -0.22 -0.16 0.00 -0.02 0.00 0.00 41.12 41.34 2aqs n ASP 168 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2aqs s HIS 169 N -1.55 1.42 0.01 1.24 3.76 -1.26 -2.18 115.29 116.72 2aqs s HIS 169 Ca 0.36 -0.45 0.21 0.00 -0.15 0.00 0.00 55.06 55.04 2aqs s HIS 169 Cb 0.20 -1.00 0.63 0.00 1.11 0.00 0.00 32.58 33.52 2aqs s HIS 169 CO 0.29 -0.19 1.70 -1.00 -0.85 0.00 0.00 174.74 174.68 2aqs h PRO 170 N 6.58 0.00 -5.14 8.40 0.13 -1.99 -3.49 132.00 136.49 2aqs h PRO 170 Ca -0.32 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.19 2aqs h PRO 170 Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2aqs h PRO 170 CO 0.48 0.29 -0.51 0.00 -0.23 0.00 0.00 178.00 178.03 2aqs s ALA 171 N -3.42 3.60 0.45 -0.56 0.00 -1.23 -5.06 121.76 115.53 2aqs s ALA 171 Ca 0.02 -0.84 -0.25 0.00 0.00 0.00 0.00 51.96 50.90 2aqs s ALA 171 Cb 0.09 -2.24 -0.08 0.00 0.00 0.00 0.00 23.12 20.89 2aqs s ALA 171 CO 0.67 -0.08 1.36 -1.25 0.00 0.00 0.00 175.76 176.45 2aqs s PRO 172 N 0.84 3.70 -0.89 0.00 0.04 -0.93 -2.70 135.00 135.07 2aqs s PRO 172 Ca 0.07 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2aqs s PRO 172 Cb -0.13 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.80 2aqs s PRO 172 CO 0.03 -0.75 0.00 1.28 0.04 0.00 0.00 177.00 177.60 2aqs n LEU 173 N -0.23 -0.92 0.00 -3.56 4.77 -1.25 -3.61 117.00 112.19 2aqs n LEU 173 Ca 0.06 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2aqs n LEU 173 Cb 0.43 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 2aqs n LEU 173 CO 0.56 -0.34 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 2aqs n GLY 174 N -1.58 1.79 2.07 -0.72 0.00 -0.13 -4.04 105.19 102.58 2aqs n GLY 174 Ca -0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 2aqs n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqs n GLY 175 N -2.00 0.32 0.25 -0.02 0.00 -1.24 -2.08 105.19 100.43 2aqs n GLY 175 Ca 0.00 -0.79 0.14 0.00 0.00 0.00 0.00 46.02 45.37 2aqs n GLY 175 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2aqs h GLY 176 N 0.00 0.00 0.00 -0.02 0.00 -1.68 -3.36 103.07 98.00 2aqs h GLY 176 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2aqs h GLY 176 CO 0.09 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.24 2aqs n GLY 177 N 0.02 0.32 3.48 4.60 0.00 -1.26 0.60 105.19 112.94 2aqs n GLY 177 Ca 0.00 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 2aqs n GLY 177 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2aqs n PRO 178 N 0.00 0.22 -2.96 1.61 -0.02 -1.26 -4.68 135.00 127.91 2aqs n PRO 178 Ca 0.00 0.12 -0.43 0.00 -2.02 0.00 0.00 63.50 61.17 2aqs n PRO 178 Cb 0.00 -1.89 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 2aqs n PRO 178 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2aqs s ARG 179 N -3.00 3.37 -0.10 -0.52 0.52 -1.26 -1.33 118.95 116.64 2aqs s ARG 179 Ca 0.65 -0.20 -0.22 0.00 -0.52 0.00 0.00 55.73 55.45 2aqs s ARG 179 Cb -0.32 -3.97 -0.28 0.00 0.52 0.00 0.00 34.95 30.89 2aqs s ARG 179 CO 0.59 -1.19 0.71 1.98 0.02 0.00 0.00 175.30 177.40 2aqs h MET 180 N 9.04 0.20 -4.16 3.54 1.85 -1.13 -3.44 114.93 120.82 2aqs h MET 180 Ca -0.25 -0.34 -0.13 0.00 -0.61 0.00 0.00 59.70 58.37 2aqs h MET 180 Cb 1.08 0.12 -0.17 0.00 0.43 0.00 0.00 31.60 33.07 2aqs h MET 180 CO 0.98 1.16 -0.68 0.00 -0.40 0.00 0.00 176.91 177.97 2aqs s ALA 181 N -2.39 0.39 0.02 0.39 0.00 -0.46 -1.03 121.76 118.68 2aqs s ALA 181 Ca -0.18 -1.03 -0.25 0.00 0.00 0.00 0.00 51.96 50.50 2aqs s ALA 181 Cb 0.02 0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.43 2aqs s ALA 181 CO 0.76 -0.31 0.56 0.00 0.00 0.00 0.00 175.76 176.77 2aqs s GLY 183 N -1.71 -0.22 -0.06 0.00 0.00 -0.77 -1.50 107.32 103.06 2aqs s GLY 183 Ca -0.07 0.67 -0.19 0.00 0.00 0.00 0.00 44.72 45.13 2aqs s GLY 183 CO 0.02 0.49 0.52 0.14 0.00 0.00 0.00 173.10 174.27 2aqs s VAL 184 N -0.64 5.06 -0.34 1.40 1.01 -1.26 -0.46 120.40 125.18 2aqs s VAL 184 Ca -0.07 1.06 -0.20 0.00 0.00 0.00 0.00 61.98 62.77 2aqs s VAL 184 Cb -0.04 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.49 2aqs s VAL 184 CO 0.03 0.39 0.61 -0.63 0.00 0.00 0.00 175.10 175.50 2aqs s ILE 185 N 0.09 4.93 -2.46 2.22 1.01 0.13 -4.58 121.20 122.54 2aqs s ILE 185 Ca 0.28 0.63 0.28 0.00 0.00 0.00 0.00 60.65 61.84 2aqs s ILE 185 Cb -0.17 -4.03 0.58 0.00 0.01 0.00 0.00 42.46 38.85 2aqs s ILE 185 CO 0.13 -0.24 1.78 0.29 0.00 0.00 0.00 174.94 176.91