#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dtd s LEU 43 N 0.00 4.38 -0.06 2.46 1.02 -1.26 -4.83 118.68 120.39 3dtd s LEU 43 Ca 0.00 1.98 -0.30 0.00 0.02 0.00 0.00 54.13 55.83 3dtd s LEU 43 Cb 0.00 -3.92 -0.04 0.00 0.02 0.00 0.00 46.19 42.25 3dtd s LEU 43 CO 0.00 -0.15 1.29 -0.89 0.02 0.00 0.00 176.35 176.63 3dtd s THR 44 N -1.47 4.07 -0.00 5.49 2.01 -1.26 -4.63 115.64 119.85 3dtd s THR 44 Ca 0.49 1.39 -0.06 0.00 0.31 0.00 0.00 61.69 63.82 3dtd s THR 44 Cb -0.23 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 3dtd s THR 44 CO 0.29 -0.03 0.25 -1.61 -0.69 0.00 0.00 174.62 172.84 3dtd s GLU 45 N 2.57 3.56 -0.13 4.92 2.02 -0.47 -4.93 118.70 126.24 3dtd s GLU 45 Ca 0.59 -0.10 0.03 0.00 0.02 0.00 0.00 54.97 55.50 3dtd s GLU 45 Cb -0.27 -3.09 0.01 0.00 0.10 0.00 0.00 34.13 30.89 3dtd s GLU 45 CO 0.22 0.66 -0.21 0.99 0.02 0.00 0.00 175.26 176.94 3dtd s THR 46 N -1.29 1.99 -0.33 3.63 2.01 -1.26 -0.71 115.64 119.69 3dtd s THR 46 Ca 0.27 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.33 3dtd s THR 46 Cb -0.13 -1.76 0.10 0.00 0.01 0.00 0.00 72.50 70.72 3dtd s THR 46 CO 0.16 0.54 0.10 -0.31 -0.69 0.00 0.00 174.62 174.41 3dtd s TYR 47 N 0.76 2.16 0.00 4.92 2.02 0.55 -5.01 117.35 122.74 3dtd s TYR 47 Ca -0.09 -2.05 0.00 0.00 -0.37 0.00 0.00 57.07 54.56 3dtd s TYR 47 Cb -0.16 -1.98 0.00 0.00 -0.40 0.00 0.00 41.96 39.42 3dtd s TYR 47 CO -0.00 -0.89 0.00 0.41 -1.57 0.00 0.00 175.55 173.50 3dtd n GLY 48 N 4.63 1.92 0.38 0.71 0.00 -1.26 -1.08 105.19 110.50 3dtd n GLY 48 Ca -0.00 0.33 0.11 0.00 0.00 0.00 0.00 46.02 46.47 3dtd n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dtd n LEU 49 N 0.00 1.73 -4.90 0.99 4.77 0.73 -4.96 117.00 115.35 3dtd n LEU 49 Ca 0.00 -0.64 -0.33 0.00 -0.03 0.00 0.00 56.01 55.01 3dtd n LEU 49 Cb 0.00 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 3dtd n LEU 49 CO 0.00 0.33 -0.12 0.26 -1.33 0.00 0.00 177.39 176.54 3dtd s TRP 50 N -2.57 3.54 0.14 -1.77 0.52 -0.24 -4.82 118.94 113.74 3dtd s TRP 50 Ca 0.17 0.40 0.10 0.00 0.02 0.00 0.00 56.10 56.80 3dtd s TRP 50 Cb 0.18 -1.87 -0.04 0.00 -1.15 0.00 0.00 33.47 30.59 3dtd s TRP 50 CO 0.61 0.61 -0.22 -1.12 0.02 0.00 0.00 176.95 176.85 3dtd s SER 51 N -2.04 3.62 -0.09 2.95 0.01 -0.53 -0.33 113.70 117.30 3dtd s SER 51 Ca 0.30 -0.69 0.02 0.00 1.31 0.00 0.00 55.95 56.89 3dtd s SER 51 Cb -0.13 -0.39 0.02 0.00 0.21 0.00 0.00 66.02 65.73 3dtd s SER 51 CO 0.20 0.16 -0.13 -0.63 0.41 0.00 0.00 173.24 173.26 3dtd s ILE 52 N -1.26 1.25 -0.00 1.44 1.01 0.11 -0.84 121.20 122.90 3dtd s ILE 52 Ca 0.18 -0.51 0.05 0.00 0.00 0.00 0.00 60.65 60.37 3dtd s ILE 52 Cb -0.10 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 3dtd s ILE 52 CO 0.09 0.39 -0.17 0.20 0.00 0.00 0.00 174.94 175.44 3dtd s ASN 53 N 0.91 2.03 -0.07 3.58 -0.87 -0.93 -1.37 114.94 118.23 3dtd s ASN 53 Ca -0.09 -0.35 0.03 0.00 -1.57 0.00 0.00 52.86 50.87 3dtd s ASN 53 Cb -0.15 -0.21 -0.02 0.00 -0.02 0.00 0.00 41.25 40.85 3dtd s ASN 53 CO 0.00 0.19 -0.14 0.00 -2.57 0.00 0.00 177.10 174.58 3dtd s GLY 55 N -0.44 -0.13 -0.21 0.00 0.00 -0.38 -4.93 107.32 101.22 3dtd s GLY 55 Ca 0.05 0.40 -0.29 0.00 0.00 0.00 0.00 44.72 44.88 3dtd s GLY 55 CO 0.02 0.24 1.04 -0.42 0.00 0.00 0.00 173.10 173.97 3dtd s ILE 56 N -0.83 4.69 -0.12 0.90 1.01 -1.26 -0.36 121.20 125.24 3dtd s ILE 56 Ca -0.09 2.02 -0.01 0.00 0.00 0.00 0.00 60.65 62.57 3dtd s ILE 56 Cb -0.05 -4.31 0.03 0.00 0.01 0.00 0.00 42.46 38.15 3dtd s ILE 56 CO 0.02 -0.15 -0.04 -1.10 0.00 0.00 0.00 174.94 173.68 3dtd s GLN 57 N 3.01 1.16 -1.41 2.79 -0.21 -0.34 -4.87 119.66 119.79 3dtd s GLN 57 Ca 0.45 -0.22 -0.08 0.00 0.02 0.00 0.00 55.36 55.54 3dtd s GLN 57 Cb -0.16 -1.54 0.04 0.00 1.00 0.00 0.00 33.01 32.36 3dtd s GLN 57 CO 0.08 -0.34 0.91 0.39 -2.12 0.00 0.00 175.29 174.21 3dtd n GLU 58 N 5.00 -5.70 0.00 2.91 4.71 -1.26 -3.70 120.64 122.60 3dtd n GLU 58 Ca -0.10 0.65 0.00 0.00 -0.01 0.00 0.00 57.16 57.70 3dtd n GLU 58 Cb 0.49 -5.45 0.00 0.00 -1.01 0.00 0.00 31.44 25.47 3dtd n GLU 58 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3dtd n GLY 59 N -1.66 2.71 3.83 0.62 0.00 -1.26 -5.06 105.19 104.37 3dtd n GLY 59 Ca -0.10 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 3dtd n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dtd s LYS 60 N 0.00 2.60 -0.00 1.61 -2.85 -1.24 -5.04 119.74 114.82 3dtd s LYS 60 Ca 0.00 -1.41 -0.26 0.00 -1.00 0.00 0.00 55.97 53.30 3dtd s LYS 60 Cb 0.00 -2.38 -0.04 0.00 -2.06 0.00 0.00 37.83 33.34 3dtd s LYS 60 CO 0.00 0.02 0.81 0.21 0.10 0.00 0.00 175.35 176.49 3dtd s LYS 61 N -4.00 4.51 -0.10 1.78 2.20 -1.26 -1.20 119.74 121.67 3dtd s LYS 61 Ca 0.42 1.12 0.04 0.00 -0.36 0.00 0.00 55.97 57.19 3dtd s LYS 61 Cb -0.04 -3.42 -0.00 0.00 -1.51 0.00 0.00 37.83 32.86 3dtd s LYS 61 CO 0.26 0.12 -0.24 0.54 -0.36 0.00 0.00 175.35 175.67 3dtd s VAL 62 N 0.52 2.08 -0.14 4.02 0.11 0.52 -4.93 120.40 122.58 3dtd s VAL 62 Ca 0.42 -1.02 -0.03 0.00 -2.93 0.00 0.00 61.98 58.42 3dtd s VAL 62 Cb -0.20 -1.78 -0.03 0.00 -1.53 0.00 0.00 36.38 32.84 3dtd s VAL 62 CO 0.23 0.56 -0.02 0.00 -3.33 0.00 0.00 175.10 172.54 3dtd s PHE 64 N -0.00 1.89 -0.18 0.00 -0.12 -0.28 -4.54 117.98 114.74 3dtd s PHE 64 Ca 0.02 -0.44 -0.03 0.00 -0.05 0.00 0.00 56.93 56.43 3dtd s PHE 64 Cb -0.13 -0.96 -0.01 0.00 -0.63 0.00 0.00 43.02 41.28 3dtd s PHE 64 CO 0.02 0.33 -0.07 1.41 -0.05 0.00 0.00 175.22 176.86 3dtd s MET 65 N -2.57 3.43 0.05 1.99 1.75 0.68 -2.19 119.30 122.44 3dtd s MET 65 Ca 0.14 -0.63 -0.05 0.00 -1.25 0.00 0.00 55.69 53.91 3dtd s MET 65 Cb -0.07 -2.88 -0.02 0.00 2.84 0.00 0.00 34.83 34.70 3dtd s MET 65 CO 0.06 -0.01 0.08 -3.38 -0.65 0.00 0.00 175.02 171.13 3dtd s HIS 66 N 0.97 0.25 -0.17 4.11 -3.43 -0.02 0.24 115.29 117.24 3dtd s HIS 66 Ca -0.01 -0.62 -0.11 0.00 -0.80 0.00 0.00 55.06 53.53 3dtd s HIS 66 Cb -0.15 -0.18 0.05 0.00 -1.43 0.00 0.00 32.58 30.88 3dtd s HIS 66 CO 0.00 -0.39 0.41 0.50 -2.00 0.00 0.00 174.74 173.26 3dtd s ARG 67 N -3.00 0.41 -0.03 -0.38 6.06 -0.37 -1.45 118.95 120.19 3dtd s ARG 67 Ca -0.02 0.73 0.03 0.00 -2.50 0.00 0.00 55.73 53.98 3dtd s ARG 67 Cb 0.01 0.04 -0.03 0.00 0.06 0.00 0.00 34.95 35.03 3dtd s ARG 67 CO -0.06 -0.13 -0.11 -0.65 -2.50 0.00 0.00 175.30 171.85 3dtd s GLN 68 N 1.09 2.52 -0.10 5.12 -0.21 -1.26 -0.81 119.66 126.02 3dtd s GLN 68 Ca -0.07 -0.70 0.01 0.00 0.02 0.00 0.00 55.36 54.61 3dtd s GLN 68 Cb -0.07 -2.44 -0.02 0.00 1.00 0.00 0.00 33.01 31.48 3dtd s GLN 68 CO -0.09 0.62 -0.11 -1.21 -2.12 0.00 0.00 175.29 172.37 3dtd s GLU 69 N -1.03 3.06 0.29 2.91 0.41 0.75 -5.00 118.70 120.08 3dtd s GLU 69 Ca 0.14 -0.65 0.10 0.00 -0.41 0.00 0.00 54.97 54.15 3dtd s GLU 69 Cb -0.11 -2.59 -0.05 0.00 -1.78 0.00 0.00 34.13 29.61 3dtd s GLU 69 CO 0.03 0.41 -0.03 0.14 -0.49 0.00 0.00 175.26 175.32 3dtd s VAL 70 N -0.15 3.02 0.00 2.63 -7.23 -1.26 -1.38 120.40 116.02 3dtd s VAL 70 Ca 0.00 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 3dtd s VAL 70 Cb -0.13 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 34.08 3dtd s VAL 70 CO 0.03 -0.33 0.00 -0.46 -0.31 0.00 0.00 175.10 174.03 3dtd n ASN 71 N -0.86 0.00 0.25 4.85 0.23 -0.91 -4.90 115.26 113.91 3dtd n ASN 71 Ca -0.05 -0.94 0.16 0.00 -0.53 0.00 0.00 54.58 53.22 3dtd n ASN 71 Cb 0.60 0.00 0.64 0.00 -2.08 0.00 0.00 39.78 38.94 3dtd n ASN 71 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 3dtd h ASP 72 N 0.00 0.00 -0.26 0.53 3.04 -2.02 -1.87 116.42 115.84 3dtd h ASP 72 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3dtd h ASP 72 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3dtd h ASP 72 CO 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.20 3dtd n GLN 73 N -2.94 1.72 -2.55 4.15 3.00 -1.26 -4.94 117.38 114.56 3dtd n GLN 73 Ca 0.01 -1.10 -0.21 0.00 -0.01 0.00 0.00 57.00 55.69 3dtd n GLN 73 Cb 0.30 -1.30 0.00 0.00 0.00 0.00 0.00 30.24 29.24 3dtd n GLN 73 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3dtd n ASN 74 N 0.37 -5.84 -4.66 1.08 5.15 -0.70 -5.01 115.26 105.64 3dtd n ASN 74 Ca 0.13 -0.07 -0.32 0.00 -0.60 0.00 0.00 54.58 53.71 3dtd n ASN 74 Cb 0.28 -4.83 -0.09 0.00 -0.53 0.00 0.00 39.78 34.61 3dtd n ASN 74 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dtd s ARG 75 N -5.20 2.72 -0.02 1.20 1.70 -1.26 -4.86 118.95 113.23 3dtd s ARG 75 Ca 0.07 -0.65 -0.30 0.00 -0.47 0.00 0.00 55.73 54.38 3dtd s ARG 75 Cb -0.03 -2.63 -0.05 0.00 -0.57 0.00 0.00 34.95 31.67 3dtd s ARG 75 CO 0.09 0.62 1.42 0.08 -1.08 0.00 0.00 175.30 176.42 3dtd s VAL 76 N -1.08 3.75 -0.20 4.99 1.01 -1.26 -2.15 120.40 125.45 3dtd s VAL 76 Ca 0.19 1.09 -0.01 0.00 0.00 0.00 0.00 61.98 63.25 3dtd s VAL 76 Cb -0.11 -3.70 -0.12 0.00 0.00 0.00 0.00 36.38 32.44 3dtd s VAL 76 CO 0.10 -0.02 -0.20 0.52 0.00 0.00 0.00 175.10 175.50 3dtd n VAL 77 N 4.83 1.15 -4.00 2.92 0.31 -0.48 -4.98 118.33 118.09 3dtd n VAL 77 Ca 0.14 -0.40 -0.13 0.00 -0.01 0.00 0.00 64.34 63.93 3dtd n VAL 77 Cb 0.44 -1.35 -0.14 0.00 -0.91 0.00 0.00 33.84 31.88 3dtd n VAL 77 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3dtd s VAL 78 N -2.40 0.19 0.05 2.52 0.11 -1.18 -3.65 120.40 116.03 3dtd s VAL 78 Ca -0.28 -0.16 0.02 0.00 -2.93 0.00 0.00 61.98 58.63 3dtd s VAL 78 Cb 0.08 -0.18 -0.03 0.00 -1.53 0.00 0.00 36.38 34.73 3dtd s VAL 78 CO 0.44 0.01 -0.08 0.00 -3.33 0.00 0.00 175.10 172.14 3dtd s ALA 79 N -0.16 0.62 -0.03 1.54 0.00 -0.80 -0.18 121.76 122.76 3dtd s ALA 79 Ca -0.00 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.14 3dtd s ALA 79 Cb -0.02 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.18 3dtd s ALA 79 CO -0.00 -0.04 -0.02 1.41 0.00 0.00 0.00 175.76 177.11 3dtd s MET 80 N -1.82 0.44 -0.05 0.00 1.75 0.01 -0.04 119.30 119.60 3dtd s MET 80 Ca -0.08 -0.00 0.03 0.00 -1.25 0.00 0.00 55.69 54.39 3dtd s MET 80 Cb -0.08 -0.55 0.01 0.00 2.84 0.00 0.00 34.83 37.05 3dtd s MET 80 CO -0.00 -0.09 -0.13 0.45 -0.65 0.00 0.00 175.02 174.61 3dtd s SER 81 N 0.82 1.70 -0.01 1.11 0.15 -0.26 -1.24 113.70 115.97 3dtd s SER 81 Ca -0.09 -0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.29 3dtd s SER 81 Cb -0.12 -0.60 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 3dtd s SER 81 CO -0.01 0.08 -0.03 -0.69 1.20 0.00 0.00 173.24 173.79 3dtd s VAL 82 N 0.35 0.24 0.26 4.45 1.01 0.14 -1.06 120.40 125.79 3dtd s VAL 82 Ca -0.08 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 61.89 3dtd s VAL 82 Cb -0.12 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 3dtd s VAL 82 CO 0.02 0.09 -0.12 0.68 0.00 0.00 0.00 175.10 175.77 3dtd s VAL 83 N 0.15 1.93 -0.28 2.92 -7.23 0.50 -0.23 120.40 118.16 3dtd s VAL 83 Ca -0.01 -2.23 -0.10 0.00 -1.81 0.00 0.00 61.98 57.83 3dtd s VAL 83 Cb -0.04 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 3dtd s VAL 83 CO -0.00 -0.42 0.16 -0.76 -0.31 0.00 0.00 175.10 173.77 3dtd s LEU 84 N -3.43 3.89 0.91 1.32 1.43 -1.26 -2.04 118.68 119.49 3dtd s LEU 84 Ca 0.27 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 53.16 3dtd s LEU 84 Cb 0.00 -2.07 0.14 0.00 0.03 0.00 0.00 46.19 44.29 3dtd s LEU 84 CO 0.11 -0.06 1.14 0.20 0.23 0.00 0.00 176.35 177.98 3dtd s ASN 85 N 1.72 3.55 0.53 2.29 0.01 -0.05 -4.87 114.94 118.12 3dtd s ASN 85 Ca 0.07 0.94 0.20 0.00 -0.71 0.00 0.00 52.86 53.36 3dtd s ASN 85 Cb -0.16 -1.51 1.33 0.00 0.41 0.00 0.00 41.25 41.33 3dtd s ASN 85 CO 0.09 -2.52 2.08 0.00 -1.51 0.00 0.00 177.10 175.24 3dtd h ALA 86 N -1.48 2.23 -0.68 0.60 0.00 -1.99 0.79 119.26 118.73 3dtd h ALA 86 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3dtd h ALA 86 Cb 1.33 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3dtd h ALA 86 CO 0.62 -0.30 0.00 -0.40 0.00 0.00 0.00 179.25 179.17 3dtd n ASP 87 N -4.46 4.46 -1.29 0.00 5.75 -1.26 -4.96 116.55 114.79 3dtd n ASP 87 Ca 0.03 -2.29 -0.03 0.00 -0.01 0.00 0.00 54.79 52.50 3dtd n ASP 87 Cb 0.33 -0.55 0.01 0.00 -1.03 0.00 0.00 41.12 39.88 3dtd n ASP 87 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dtd n GLY 88 N 1.34 0.40 3.51 6.12 0.00 0.27 -5.06 105.19 111.76 3dtd n GLY 88 Ca 0.25 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 3dtd n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dtd s VAL 89 N -3.05 4.07 -0.36 1.61 1.01 -1.25 -4.86 120.40 117.56 3dtd s VAL 89 Ca 0.02 -0.29 -0.23 0.00 0.00 0.00 0.00 61.98 61.48 3dtd s VAL 89 Cb -0.01 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.58 3dtd s VAL 89 CO 0.11 0.47 0.75 -0.69 0.00 0.00 0.00 175.10 175.74 3dtd s VAL 90 N 0.49 4.76 0.25 2.92 1.01 -1.26 -0.87 120.40 127.71 3dtd s VAL 90 Ca -0.02 0.81 -0.09 0.00 0.00 0.00 0.00 61.98 62.69 3dtd s VAL 90 Cb -0.14 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 3dtd s VAL 90 CO 0.02 -0.41 0.40 -0.94 0.00 0.00 0.00 175.10 174.17 3dtd s SER 91 N 1.83 0.08 0.00 3.32 1.04 -0.87 -1.16 113.70 117.95 3dtd s SER 91 Ca 0.30 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.63 3dtd s SER 91 Cb -0.13 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3dtd s SER 91 CO 0.16 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.90 3dtd n GLY 92 N -0.38 -0.61 2.97 7.32 0.00 -0.50 -0.37 105.19 113.62 3dtd n GLY 92 Ca -0.01 -0.48 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 3dtd n GLY 92 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dtd s ASN 93 N -4.00 0.68 -0.15 1.61 0.01 -0.22 -1.47 114.94 111.38 3dtd s ASN 93 Ca 0.00 -0.12 -0.04 0.00 -0.71 0.00 0.00 52.86 51.99 3dtd s ASN 93 Cb 0.00 -0.07 -0.03 0.00 0.41 0.00 0.00 41.25 41.56 3dtd s ASN 93 CO 0.00 0.06 -0.02 -0.22 -1.51 0.00 0.00 177.10 175.42 3dtd s LEU 94 N -0.17 3.37 -0.26 0.60 2.96 0.44 -1.11 118.68 124.51 3dtd s LEU 94 Ca 0.02 -0.07 -0.09 0.00 -0.22 0.00 0.00 54.13 53.76 3dtd s LEU 94 Cb -0.02 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 3dtd s LEU 94 CO -0.00 0.19 0.13 -0.89 -1.32 0.00 0.00 176.35 174.46 3dtd s THR 95 N 0.27 4.89 0.35 3.68 2.01 0.95 -0.02 115.64 127.77 3dtd s THR 95 Ca -0.02 0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.09 3dtd s THR 95 Cb -0.14 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 3dtd s THR 95 CO 0.02 0.30 0.11 0.68 -0.69 0.00 0.00 174.62 175.05 3dtd s VAL 96 N 1.57 2.77 1.00 3.82 -7.23 0.04 -1.91 120.40 120.47 3dtd s VAL 96 Ca 0.07 -1.78 -0.12 0.00 -1.81 0.00 0.00 61.98 58.34 3dtd s VAL 96 Cb -0.15 -2.92 0.19 0.00 0.56 0.00 0.00 36.38 34.06 3dtd s VAL 96 CO 0.07 -0.16 1.08 -2.84 -0.31 0.00 0.00 175.10 172.95 3dtd s PRO 97 N -3.82 0.35 0.85 4.82 0.02 -1.24 -1.35 135.00 134.64 3dtd s PRO 97 Ca 0.37 0.99 -0.11 0.00 0.02 0.00 0.00 61.00 62.27 3dtd s PRO 97 Cb -0.01 -1.69 0.10 0.00 0.02 0.00 0.00 34.50 32.92 3dtd s PRO 97 CO 0.22 -2.91 1.09 -0.06 -0.33 0.00 0.00 177.00 175.01 3dtd s PHE 98 N -2.69 2.40 0.00 6.54 0.08 -1.26 -4.23 117.98 118.82 3dtd s PHE 98 Ca 0.66 1.40 0.00 0.00 0.12 0.00 0.00 56.93 59.11 3dtd s PHE 98 Cb -0.22 -3.12 0.00 0.00 -0.57 0.00 0.00 43.02 39.12 3dtd s PHE 98 CO 0.60 -2.16 0.00 0.41 -0.10 0.00 0.00 175.22 173.97 3dtd n GLY 99 N -1.10 0.67 3.76 4.36 0.00 -1.26 -5.04 105.19 106.58 3dtd n GLY 99 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3dtd n GLY 99 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dtd s ILE 100 N -2.11 4.96 -0.26 -0.61 -1.09 -1.26 -0.64 121.20 120.19 3dtd s ILE 100 Ca 0.00 1.19 -0.28 0.00 -2.23 0.00 0.00 60.65 59.33 3dtd s ILE 100 Cb 0.00 -3.91 -0.03 0.00 -1.58 0.00 0.00 42.46 36.94 3dtd s ILE 100 CO 0.00 0.41 1.97 -0.22 -1.23 0.00 0.00 174.94 175.87 3dtd s LEU 101 N -0.08 3.54 0.37 2.97 2.96 0.16 -4.57 118.68 124.03 3dtd s LEU 101 Ca 0.30 1.63 0.18 0.00 -0.22 0.00 0.00 54.13 56.02 3dtd s LEU 101 Cb -0.18 -3.52 0.65 0.00 0.50 0.00 0.00 46.19 43.65 3dtd s LEU 101 CO 0.16 -1.76 1.72 0.58 -1.32 0.00 0.00 176.35 175.73 3dtd h VAL 102 N 6.87 0.91 0.00 1.68 2.07 -1.95 -3.06 116.25 122.76 3dtd h VAL 102 Ca -0.37 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 65.59 3dtd h VAL 102 Cb 1.20 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 3dtd h VAL 102 CO 0.99 0.38 -0.14 0.77 0.02 0.00 0.00 177.57 179.60 3dtd h SER 103 N 0.00 0.00 -2.82 0.57 4.64 -1.96 -3.42 113.55 110.56 3dtd h SER 103 Ca -0.00 -0.01 -0.64 0.00 -0.47 0.00 0.00 61.79 60.67 3dtd h SER 103 Cb 0.91 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.95 3dtd h SER 103 CO 0.05 0.00 -0.46 -0.54 -0.87 0.00 0.00 176.83 175.02 3dtd s LYS 104 N -3.21 3.48 0.78 4.77 1.02 -1.16 -5.09 119.74 120.33 3dtd s LYS 104 Ca 0.07 -0.22 -0.11 0.00 0.02 0.00 0.00 55.97 55.72 3dtd s LYS 104 Cb 0.07 -3.10 0.06 0.00 -0.52 0.00 0.00 37.83 34.34 3dtd s LYS 104 CO 0.68 0.68 1.08 -2.14 -0.92 0.00 0.00 175.35 174.73 3dtd s PRO 105 N -1.78 2.25 -0.28 -1.68 0.02 -1.26 -4.81 135.00 127.45 3dtd s PRO 105 Ca 0.26 0.92 -0.09 0.00 0.02 0.00 0.00 61.00 62.10 3dtd s PRO 105 Cb -0.13 -1.91 -0.02 0.00 0.02 0.00 0.00 34.50 32.45 3dtd s PRO 105 CO 0.16 -1.58 0.13 0.08 -0.33 0.00 0.00 177.00 175.47 3dtd s VAL 106 N -3.01 4.68 -0.17 3.83 1.01 0.20 -4.48 120.40 122.46 3dtd s VAL 106 Ca 0.60 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.27 3dtd s VAL 106 Cb -0.16 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 3dtd s VAL 106 CO 0.55 0.20 0.23 -0.60 0.00 0.00 0.00 175.10 175.49 3dtd s ARG 107 N 1.65 4.21 -0.14 2.72 3.52 0.90 -1.77 118.95 130.04 3dtd s ARG 107 Ca 0.06 -0.02 -0.00 0.00 -0.13 0.00 0.00 55.73 55.64 3dtd s ARG 107 Cb -0.16 -3.41 -0.01 0.00 -1.56 0.00 0.00 34.95 29.80 3dtd s ARG 107 CO 0.07 0.28 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.19 3dtd s LEU 108 N 0.37 2.65 -0.02 -0.88 1.02 0.40 -0.67 118.68 121.54 3dtd s LEU 108 Ca 0.13 -0.38 0.00 0.00 0.02 0.00 0.00 54.13 53.91 3dtd s LEU 108 Cb -0.12 -1.60 0.03 0.00 0.02 0.00 0.00 46.19 44.51 3dtd s LEU 108 CO 0.02 0.13 0.02 -1.58 0.02 0.00 0.00 176.35 174.96 3dtd s GLN 109 N 0.54 0.10 -0.51 1.70 0.74 -0.29 -1.08 119.66 120.86 3dtd s GLN 109 Ca -0.09 0.13 -0.28 0.00 0.05 0.00 0.00 55.36 55.17 3dtd s GLN 109 Cb -0.16 -0.32 0.03 0.00 1.10 0.00 0.00 33.01 33.66 3dtd s GLN 109 CO 0.04 -0.14 1.12 0.08 -0.55 0.00 0.00 175.29 175.84 3dtd s VAL 110 N 0.95 4.19 0.00 1.34 1.01 -1.15 0.94 120.40 127.68 3dtd s VAL 110 Ca -0.09 1.05 0.00 0.00 0.00 0.00 0.00 61.98 62.94 3dtd s VAL 110 Cb -0.12 -4.62 0.00 0.00 0.00 0.00 0.00 36.38 31.64 3dtd s VAL 110 CO -0.02 -1.09 0.00 0.47 0.00 0.00 0.00 175.10 174.46 3dtd n ASP 111 N 7.92 0.00 -0.12 3.32 8.00 -0.30 -1.73 116.55 133.65 3dtd n ASP 111 Ca 0.10 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.70 3dtd n ASP 111 Cb 0.49 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.73 3dtd n ASP 111 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dtd n GLU 112 N 7.95 1.30 -1.25 -1.24 1.02 -1.26 -4.81 120.64 122.36 3dtd n GLU 112 Ca 0.00 -2.64 -0.15 0.00 -0.02 0.00 0.00 57.16 54.35 3dtd n GLU 112 Cb 0.00 -1.51 0.10 0.00 -0.02 0.00 0.00 31.44 30.01 3dtd n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dtd n GLY 113 N -1.41 -0.75 0.29 0.62 0.00 -0.70 -5.00 105.19 98.25 3dtd n GLY 113 Ca 0.16 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.53 3dtd n GLY 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dtd n LYS 114 N -2.41 1.00 -2.02 1.61 4.76 -1.26 -4.71 118.16 115.12 3dtd n LYS 114 Ca 0.09 -0.59 -0.26 0.00 -2.87 0.00 0.00 58.31 54.69 3dtd n LYS 114 Cb 0.32 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 31.97 3dtd n LYS 114 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3dtd s ALA 115 N -2.40 1.62 -0.15 7.82 0.00 -1.26 -4.92 121.76 122.46 3dtd s ALA 115 Ca 0.27 -1.55 0.02 0.00 0.00 0.00 0.00 51.96 50.70 3dtd s ALA 115 Cb 0.20 -4.57 0.01 0.00 0.00 0.00 0.00 23.12 18.76 3dtd s ALA 115 CO 0.48 -4.94 -0.21 0.08 0.00 0.00 0.00 175.76 171.17 3dtd s VAL 116 N 10.49 2.00 -0.09 0.00 1.01 -1.26 -2.91 120.40 129.64 3dtd s VAL 116 Ca 0.71 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.78 3dtd s VAL 116 Cb -0.06 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 3dtd s VAL 116 CO 0.01 0.54 -0.15 -0.63 0.00 0.00 0.00 175.10 174.87 3dtd s ILE 117 N 0.95 2.96 -0.19 2.22 1.01 -0.24 -4.99 121.20 122.92 3dtd s ILE 117 Ca -0.04 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 59.88 3dtd s ILE 117 Cb -0.15 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.14 3dtd s ILE 117 CO -0.05 0.56 -0.16 -0.70 0.00 0.00 0.00 174.94 174.60 3dtd s GLU 118 N -0.18 3.11 0.14 2.79 2.12 -1.26 -0.45 118.70 124.97 3dtd s GLU 118 Ca -0.00 -0.77 0.03 0.00 0.36 0.00 0.00 54.97 54.59 3dtd s GLU 118 Cb -0.13 -2.69 -0.01 0.00 0.26 0.00 0.00 34.13 31.56 3dtd s GLU 118 CO 0.03 -0.19 0.12 -2.37 -0.54 0.00 0.00 175.26 172.31 3dtd n THR 119 N 4.62 0.00 -4.16 -1.70 5.66 -0.73 -4.98 114.28 112.99 3dtd n THR 119 Ca -0.20 -1.04 -0.11 0.00 -3.05 0.00 0.00 64.05 59.65 3dtd n THR 119 Cb 0.50 0.52 -0.09 0.00 -1.55 0.00 0.00 70.33 69.71 3dtd n THR 119 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 3dtd s GLY 120 N -1.99 1.23 0.10 1.09 0.00 -1.26 0.60 107.32 107.08 3dtd s GLY 120 Ca 0.17 -1.53 -0.31 0.00 0.00 0.00 0.00 44.72 43.05 3dtd s GLY 120 CO 0.12 -1.26 1.39 -0.42 0.00 0.00 0.00 173.10 172.93 3dtd s ILE 121 N -4.12 3.36 -0.11 0.90 1.01 -1.26 -4.11 121.20 116.86 3dtd s ILE 121 Ca 0.34 0.95 -0.05 0.00 0.00 0.00 0.00 60.65 61.90 3dtd s ILE 121 Cb 0.06 -3.61 -0.26 0.00 0.01 0.00 0.00 42.46 38.66 3dtd s ILE 121 CO 0.10 0.06 0.40 -2.11 0.00 0.00 0.00 174.94 173.40 3dtd n ARG 122 N 4.13 0.75 -3.79 2.79 1.85 0.08 -5.00 116.66 117.47 3dtd n ARG 122 Ca 0.12 0.27 -0.05 0.00 -1.00 0.00 0.00 57.85 57.18 3dtd n ARG 122 Cb 0.42 -1.72 -0.02 0.00 -1.05 0.00 0.00 32.46 30.10 3dtd n ARG 122 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 3dtd s THR 123 N -2.56 0.00 0.04 8.89 -1.32 -1.24 -5.04 115.64 114.41 3dtd s THR 123 Ca -0.20 -0.78 0.07 0.00 -1.21 0.00 0.00 61.69 59.56 3dtd s THR 123 Cb 0.07 -1.97 -0.02 0.00 -1.51 0.00 0.00 72.50 69.06 3dtd s THR 123 CO 0.78 0.00 -0.19 0.00 -2.21 0.00 0.00 174.62 173.00 3dtd s VAL 125 N -0.80 1.04 0.50 0.00 -7.23 0.17 -4.98 120.40 109.10 3dtd s VAL 125 Ca 0.06 -2.00 0.27 0.00 -1.81 0.00 0.00 61.98 58.50 3dtd s VAL 125 Cb -0.08 -2.51 0.45 0.00 0.56 0.00 0.00 36.38 34.79 3dtd s VAL 125 CO 0.02 0.00 1.88 -0.65 -0.31 0.00 0.00 175.10 176.04 3dtd h PRO 126 N 1.80 0.11 0.00 4.82 0.11 -2.04 -0.94 132.00 135.85 3dtd h PRO 126 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3dtd h PRO 126 Cb 1.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3dtd h PRO 126 CO 0.67 0.07 0.00 0.00 -0.21 0.00 0.00 178.00 178.53 3dtd h ALA 127 N 1.58 1.00 0.00 -0.75 0.00 -1.99 -3.49 119.26 115.61 3dtd h ALA 127 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3dtd h ALA 127 Cb 1.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3dtd h ALA 127 CO -0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.60 3dtd n GLY 128 N 0.27 0.87 3.75 0.00 0.00 -0.36 -4.92 105.19 104.79 3dtd n GLY 128 Ca 0.02 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.69 3dtd n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dtd s ILE 130 N 0.23 5.28 -0.31 0.00 -1.09 0.11 -0.78 121.20 124.63 3dtd s ILE 130 Ca 0.19 0.41 -0.02 0.00 -2.23 0.00 0.00 60.65 59.00 3dtd s ILE 130 Cb -0.14 -3.60 0.06 0.00 -1.58 0.00 0.00 42.46 37.20 3dtd s ILE 130 CO 0.06 0.28 0.02 -0.69 -1.23 0.00 0.00 174.94 173.39 3dtd s VAL 131 N 1.33 3.00 0.26 2.92 1.01 0.98 -0.74 120.40 129.16 3dtd s VAL 131 Ca 0.12 -1.49 -0.29 0.00 0.00 0.00 0.00 61.98 60.32 3dtd s VAL 131 Cb -0.14 -2.78 -0.09 0.00 0.00 0.00 0.00 36.38 33.37 3dtd s VAL 131 CO 0.07 -0.19 1.22 -2.84 0.00 0.00 0.00 175.10 173.36 3dtd s PRO 132 N 1.23 4.48 -0.02 2.72 0.02 -1.26 -0.42 135.00 141.74 3dtd s PRO 132 Ca -0.03 1.99 0.02 0.00 0.02 0.00 0.00 61.00 63.00 3dtd s PRO 132 Cb -0.20 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.16 3dtd s PRO 132 CO -0.02 -0.05 -0.08 0.96 -0.33 0.00 0.00 177.00 177.48 3dtd s ILE 133 N -0.72 0.70 -0.09 2.83 -4.36 -0.54 -4.75 121.20 114.26 3dtd s ILE 133 Ca 0.50 -0.32 0.01 0.00 -0.26 0.00 0.00 60.65 60.58 3dtd s ILE 133 Cb -0.35 -0.63 0.02 0.00 1.25 0.00 0.00 42.46 42.74 3dtd s ILE 133 CO 0.43 0.22 -0.11 -0.69 0.24 0.00 0.00 174.94 175.04 3dtd s VAL 134 N 0.22 1.18 -0.20 8.37 1.01 -1.26 -1.41 120.40 128.31 3dtd s VAL 134 Ca -0.03 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 3dtd s VAL 134 Cb -0.08 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 3dtd s VAL 134 CO 0.00 0.38 -0.01 -0.36 0.00 0.00 0.00 175.10 175.12 3dtd s PHE 135 N 1.14 3.03 0.86 5.22 2.99 -0.30 -5.02 117.98 125.89 3dtd s PHE 135 Ca -0.05 -0.49 -0.13 0.00 0.00 0.00 0.00 56.93 56.26 3dtd s PHE 135 Cb -0.14 -2.08 0.11 0.00 0.00 0.00 0.00 43.02 40.91 3dtd s PHE 135 CO -0.02 -0.26 1.18 0.16 -0.00 0.00 0.00 175.22 176.28 3dtd s ASP 136 N 1.01 4.05 0.32 1.36 1.47 -1.26 -4.19 116.67 119.43 3dtd s ASP 136 Ca 0.02 0.77 0.07 0.00 1.18 0.00 0.00 52.55 54.59 3dtd s ASP 136 Cb -0.14 -1.24 0.76 0.00 -0.34 0.00 0.00 42.92 41.96 3dtd s ASP 136 CO 0.01 -2.19 1.81 0.11 0.68 0.00 0.00 175.17 175.59 3dtd h LYS 137 N -1.25 0.73 -0.21 2.11 1.79 -1.99 -0.42 116.57 117.33 3dtd h LYS 137 Ca -0.47 -0.04 -0.17 0.00 -2.18 0.00 0.00 60.65 57.78 3dtd h LYS 137 Cb 1.32 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.80 3dtd h LYS 137 CO 0.62 0.49 -0.57 -0.91 -1.08 0.00 0.00 179.45 178.00 3dtd h ASN 138 N 0.76 0.72 -0.19 0.86 -0.26 -1.99 -2.39 115.58 113.08 3dtd h ASN 138 Ca 0.54 -0.39 -0.21 0.00 -0.56 0.00 0.00 56.30 55.67 3dtd h ASN 138 Cb 0.85 -0.21 0.01 0.00 -1.06 0.00 0.00 38.32 37.91 3dtd h ASN 138 CO -0.31 1.13 -0.71 0.22 -1.06 0.00 0.00 177.43 176.70 3dtd h TYR 139 N 0.49 1.08 -0.69 1.19 5.03 -1.67 -2.45 116.97 119.96 3dtd h TYR 139 Ca 0.01 -0.45 0.09 0.00 2.58 0.00 0.00 58.73 60.95 3dtd h TYR 139 Cb 1.13 -0.18 -0.07 0.00 1.55 0.00 0.00 36.73 39.17 3dtd h TYR 139 CO 0.05 1.29 0.34 0.28 -1.32 0.00 0.00 178.16 178.80 3dtd h VAL 140 N 0.57 0.86 -0.40 1.81 2.07 -1.14 -0.07 116.25 119.96 3dtd h VAL 140 Ca -0.03 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 3dtd h VAL 140 Cb 1.33 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3dtd h VAL 140 CO 0.15 0.11 0.03 0.00 0.02 0.00 0.00 177.57 177.87 3dtd h ALA 141 N 1.41 1.30 -0.21 1.67 0.00 -1.35 -1.35 119.26 120.74 3dtd h ALA 141 Ca 0.33 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3dtd h ALA 141 Cb 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3dtd h ALA 141 CO -0.25 0.48 -0.54 0.00 0.00 0.00 0.00 179.25 178.94 3dtd h ALA 142 N 1.44 0.67 -0.67 0.00 0.00 -0.92 -2.91 119.26 116.86 3dtd h ALA 142 Ca 0.13 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 3dtd h ALA 142 Cb 0.34 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3dtd h ALA 142 CO 0.01 0.69 0.22 -0.07 0.00 0.00 0.00 179.25 180.10 3dtd h LEU 143 N 0.47 0.94 -1.10 0.00 4.07 -0.65 -0.83 115.31 118.21 3dtd h LEU 143 Ca 0.01 -0.16 -0.04 0.00 0.08 0.00 0.00 57.88 57.77 3dtd h LEU 143 Cb 1.09 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.56 3dtd h LEU 143 CO 0.10 0.87 0.14 0.03 -1.08 0.00 0.00 178.44 178.51 3dtd h ARG 144 N 0.98 0.78 -0.00 1.13 3.08 -1.21 -3.12 114.38 116.03 3dtd h ARG 144 Ca 0.22 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3dtd h ARG 144 Cb 0.26 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3dtd h ARG 144 CO -0.01 0.70 -0.61 0.00 -1.07 0.00 0.00 179.97 178.97 3dtd n ALA 145 N -2.46 3.86 -2.00 0.04 0.00 -1.08 -4.68 120.51 114.19 3dtd n ALA 145 Ca 0.04 -0.48 -0.24 0.00 0.00 0.00 0.00 53.44 52.75 3dtd n ALA 145 Cb 0.21 -0.96 0.05 0.00 0.00 0.00 0.00 19.45 18.74 3dtd n ALA 145 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3dtd s GLY 146 N -2.84 1.70 -0.14 0.00 0.00 -0.34 -5.05 107.32 100.66 3dtd s GLY 146 Ca 0.13 -0.99 -0.01 0.00 0.00 0.00 0.00 44.72 43.85 3dtd s GLY 146 CO 0.70 -0.66 -0.14 0.28 0.00 0.00 0.00 173.10 173.28 3dtd n LYS 147 N -2.64 0.33 -4.60 2.90 5.02 -1.26 -4.72 118.16 113.20 3dtd n LYS 147 Ca 0.07 0.10 -0.22 0.00 -2.02 0.00 0.00 58.31 56.23 3dtd n LYS 147 Cb 0.59 -1.20 -0.15 0.00 -0.02 0.00 0.00 35.03 34.25 3dtd n LYS 147 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3dtd s HIS 148 N -2.27 1.23 -0.49 2.13 3.76 -1.26 -0.71 115.29 117.67 3dtd s HIS 148 Ca -0.19 -0.27 -0.16 0.00 -0.15 0.00 0.00 55.06 54.28 3dtd s HIS 148 Cb 0.06 -0.81 0.08 0.00 1.11 0.00 0.00 32.58 33.01 3dtd s HIS 148 CO 0.30 -0.06 0.46 -1.17 -0.85 0.00 0.00 174.74 173.41 3dtd s LEU 149 N -0.13 5.61 0.19 0.89 2.96 0.33 -1.15 118.68 127.39 3dtd s LEU 149 Ca 0.02 -1.35 -0.29 0.00 -0.22 0.00 0.00 54.13 52.29 3dtd s LEU 149 Cb -0.07 -2.23 -0.08 0.00 0.50 0.00 0.00 46.19 44.31 3dtd s LEU 149 CO 0.00 -0.74 0.90 -0.54 -1.32 0.00 0.00 176.35 174.65 3dtd s LYS 150 N 1.82 4.75 -0.07 1.98 1.02 0.27 -1.13 119.74 128.38 3dtd s LYS 150 Ca 0.06 1.38 0.02 0.00 0.02 0.00 0.00 55.97 57.45 3dtd s LYS 150 Cb -0.24 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.75 3dtd s LYS 150 CO 0.07 0.47 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.34 3dtd s LEU 151 N -0.94 2.86 -0.07 3.17 1.02 -0.32 -1.14 118.68 123.26 3dtd s LEU 151 Ca 0.40 -0.16 0.00 0.00 0.02 0.00 0.00 54.13 54.40 3dtd s LEU 151 Cb -0.25 -1.60 0.02 0.00 0.02 0.00 0.00 46.19 44.38 3dtd s LEU 151 CO 0.30 0.32 -0.05 0.00 0.02 0.00 0.00 176.35 176.94 3dtd s ALA 152 N -0.59 0.90 0.29 4.21 0.00 0.15 -4.30 121.76 122.42 3dtd s ALA 152 Ca 0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 51.96 51.78 3dtd s ALA 152 Cb -0.11 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 3dtd s ALA 152 CO 0.01 -0.16 0.41 0.00 0.00 0.00 0.00 175.76 176.02 3dtd s MET 153 N 1.25 1.69 -0.11 0.00 0.23 -0.68 -0.07 119.30 121.61 3dtd s MET 153 Ca -0.05 -1.60 0.00 0.00 -1.03 0.00 0.00 55.69 53.00 3dtd s MET 153 Cb -0.14 0.42 -0.02 0.00 -1.53 0.00 0.00 34.83 33.56 3dtd s MET 153 CO -0.02 -0.68 -0.10 0.99 -2.03 0.00 0.00 175.02 173.17 3dtd s THR 154 N -3.52 3.33 0.05 3.16 2.01 -1.26 -0.09 115.64 119.33 3dtd s THR 154 Ca 0.30 -0.58 -0.28 0.00 0.31 0.00 0.00 61.69 61.43 3dtd s THR 154 Cb 0.01 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.08 3dtd s THR 154 CO 0.16 0.54 0.89 -0.63 -0.69 0.00 0.00 174.62 174.90 3dtd s ILE 155 N -0.07 4.69 -1.16 1.82 1.01 0.30 0.40 121.20 128.19 3dtd s ILE 155 Ca -0.01 1.91 -0.21 0.00 0.00 0.00 0.00 60.65 62.34 3dtd s ILE 155 Cb -0.14 -4.25 0.05 0.00 0.01 0.00 0.00 42.46 38.13 3dtd s ILE 155 CO 0.03 0.29 1.65 0.00 0.00 0.00 0.00 174.94 176.91 3dtd s ALA 156 N 0.28 2.90 0.11 9.38 0.00 0.18 -3.91 121.76 130.70 3dtd s ALA 156 Ca 0.45 -2.55 -0.13 0.00 0.00 0.00 0.00 51.96 49.74 3dtd s ALA 156 Cb -0.22 -4.60 0.02 0.00 0.00 0.00 0.00 23.12 18.32 3dtd s ALA 156 CO 0.27 -3.62 0.32 0.00 0.00 0.00 0.00 175.76 172.72 3dtd s ALA 157 N 5.24 -0.65 0.01 0.00 0.00 -1.26 -4.91 121.76 120.19 3dtd s ALA 157 Ca 0.53 -0.26 -0.34 0.00 0.00 0.00 0.00 51.96 51.89 3dtd s ALA 157 Cb 0.02 0.59 -0.12 0.00 0.00 0.00 0.00 23.12 23.61 3dtd s ALA 157 CO 0.01 -0.58 1.78 -2.30 0.00 0.00 0.00 175.76 174.67 3dtd n PRO 158 N -0.12 2.21 0.00 0.00 -0.02 -1.26 -0.87 135.00 134.95 3dtd n PRO 158 Ca -0.16 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3dtd n PRO 158 Cb 0.63 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3dtd n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dtd n GLY 159 N 4.07 3.41 3.46 -1.23 0.00 -1.26 -4.69 105.19 108.95 3dtd n GLY 159 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 3dtd n GLY 159 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dtd n GLU 160 N -1.79 -1.40 -2.49 1.61 1.02 -0.05 -4.97 120.64 112.57 3dtd n GLU 160 Ca 0.00 0.94 -0.34 0.00 -0.02 0.00 0.00 57.16 57.74 3dtd n GLU 160 Cb 0.00 -4.32 -0.03 0.00 -0.02 0.00 0.00 31.44 27.07 3dtd n GLU 160 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3dtd s PRO 161 N -4.52 3.72 0.48 3.49 0.02 -1.25 -4.69 135.00 132.24 3dtd s PRO 161 Ca 0.18 1.41 -0.19 0.00 0.02 0.00 0.00 61.00 62.42 3dtd s PRO 161 Cb -0.06 -2.08 -0.09 0.00 0.02 0.00 0.00 34.50 32.29 3dtd s PRO 161 CO 0.82 -0.51 0.99 -1.25 -0.33 0.00 0.00 177.00 176.72 3dtd s PRO 162 N -3.23 3.99 -0.29 5.54 0.04 -1.26 -0.54 135.00 139.25 3dtd s PRO 162 Ca 0.68 1.14 0.03 0.00 0.04 0.00 0.00 61.00 62.89 3dtd s PRO 162 Cb -0.18 -2.14 0.08 0.00 0.04 0.00 0.00 34.50 32.30 3dtd s PRO 162 CO 0.21 -0.24 -0.05 -1.17 0.04 0.00 0.00 177.00 175.79 3dtd s LEU 163 N -3.58 3.97 0.00 -3.56 2.96 0.88 -4.82 118.68 114.52 3dtd s LEU 163 Ca 0.62 -1.69 0.00 0.00 -0.22 0.00 0.00 54.13 52.85 3dtd s LEU 163 Cb -0.11 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 44.99 3dtd s LEU 163 CO 0.21 -0.27 0.35 0.59 -1.32 0.00 0.00 176.35 175.92 3dtd n ASN 164 N 4.37 0.70 -0.59 3.68 3.02 -1.26 -1.68 115.26 123.50 3dtd n ASN 164 Ca -0.07 -0.87 0.11 0.00 -0.03 0.00 0.00 54.58 53.72 3dtd n ASN 164 Cb 0.42 0.24 0.39 0.00 -0.61 0.00 0.00 39.78 40.21 3dtd n ASN 164 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3dtd n ASP 165 N -0.24 1.77 -4.87 6.41 3.85 -1.26 -4.68 116.55 117.53 3dtd n ASP 165 Ca 0.00 -1.69 -0.33 0.00 -0.71 0.00 0.00 54.79 52.05 3dtd n ASP 165 Cb 0.01 -0.09 -0.05 0.00 -1.35 0.00 0.00 41.12 39.63 3dtd n ASP 165 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3dtd s LEU 166 N -1.65 4.23 0.23 -2.12 1.02 -1.26 -5.02 118.68 114.12 3dtd s LEU 166 Ca 0.34 0.95 -0.17 0.00 0.02 0.00 0.00 54.13 55.26 3dtd s LEU 166 Cb 0.18 -3.50 0.02 0.00 0.02 0.00 0.00 46.19 42.91 3dtd s LEU 166 CO 0.28 0.00 0.58 0.72 0.02 0.00 0.00 176.35 177.94 3dtd s PHE 167 N -1.68 -0.02 -0.11 0.29 -0.12 -1.26 -1.17 117.98 113.90 3dtd s PHE 167 Ca 0.43 -0.36 0.03 0.00 -0.05 0.00 0.00 56.93 56.99 3dtd s PHE 167 Cb -0.13 0.44 0.00 0.00 -0.63 0.00 0.00 43.02 42.71 3dtd s PHE 167 CO 0.20 -1.04 -0.23 0.08 -0.05 0.00 0.00 175.22 174.19 3dtd s VAL 168 N -3.92 2.12 0.10 -2.49 1.01 -0.28 -4.91 120.40 112.03 3dtd s VAL 168 Ca 0.13 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 3dtd s VAL 168 Cb -0.02 -1.82 -0.06 0.00 0.00 0.00 0.00 36.38 34.48 3dtd s VAL 168 CO 0.03 0.56 1.05 -1.10 0.00 0.00 0.00 175.10 175.64 3dtd s GLN 169 N 0.44 4.59 0.00 2.72 -0.21 -1.26 -0.51 119.66 125.42 3dtd s GLN 169 Ca -0.16 1.59 0.21 0.00 0.02 0.00 0.00 55.36 57.02 3dtd s GLN 169 Cb -0.17 -3.36 0.58 0.00 1.00 0.00 0.00 33.01 31.06 3dtd s GLN 169 CO 0.07 0.03 1.49 1.28 -2.12 0.00 0.00 175.29 176.04 3dtd n LEU 170 N 3.09 3.79 -4.62 2.90 4.77 0.11 -4.93 117.00 122.12 3dtd n LEU 170 Ca 0.04 -1.96 -0.43 0.00 -0.03 0.00 0.00 56.01 53.64 3dtd n LEU 170 Cb 0.48 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 3dtd n LEU 170 CO 0.53 0.94 1.55 0.21 -1.33 0.00 0.00 177.39 179.29 3dtd s ASN 171 N -1.04 6.01 0.00 -1.43 3.84 -1.26 -1.90 114.94 119.17 3dtd s ASN 171 Ca 0.45 1.66 0.00 0.00 0.21 0.00 0.00 52.86 55.18 3dtd s ASN 171 Cb 0.24 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.41 3dtd s ASN 171 CO 0.31 -1.55 0.00 0.61 -2.79 0.00 0.00 177.10 173.68 3dtd n GLY 172 N 5.17 0.43 0.11 1.21 0.00 -1.26 -0.19 105.19 110.66 3dtd n GLY 172 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 3dtd n GLY 172 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dtd h PHE 173 N 0.00 -0.01 -0.36 1.61 3.57 -1.61 -0.88 116.94 119.26 3dtd h PHE 173 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3dtd h PHE 173 Cb 0.00 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 3dtd h PHE 173 CO 0.00 -0.03 0.18 1.03 -2.23 0.00 0.00 178.31 177.26 3dtd h SER 174 N 0.07 0.47 -0.16 0.41 0.87 -1.83 0.20 113.55 113.58 3dtd h SER 174 Ca 0.10 -0.12 -0.10 0.00 -1.23 0.00 0.00 61.79 60.44 3dtd h SER 174 Cb 0.13 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3dtd h SER 174 CO -0.17 0.46 -0.22 0.78 -0.53 0.00 0.00 176.83 177.15 3dtd h ASN 175 N 0.45 0.60 0.12 6.23 2.35 -1.92 -1.29 115.58 122.13 3dtd h ASN 175 Ca 0.12 -0.20 -0.17 0.00 -0.55 0.00 0.00 56.30 55.50 3dtd h ASN 175 Cb 0.11 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 3dtd h ASN 175 CO -0.02 0.82 -0.63 0.00 -1.65 0.00 0.00 177.43 175.95 3dtd h ALA 176 N 1.23 0.65 -0.52 -0.83 0.00 -0.95 -2.58 119.26 116.26 3dtd h ALA 176 Ca 0.08 -0.55 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 3dtd h ALA 176 Cb 0.67 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3dtd h ALA 176 CO 0.05 0.72 -0.10 1.25 0.00 0.00 0.00 179.25 181.17 3dtd h LEU 177 N 0.36 0.99 -1.30 0.00 5.85 -0.79 -1.88 115.31 118.54 3dtd h LEU 177 Ca -0.01 -0.35 0.08 0.00 0.84 0.00 0.00 57.88 58.44 3dtd h LEU 177 Cb 1.19 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 3dtd h LEU 177 CO 0.11 1.11 0.53 0.78 -0.34 0.00 0.00 178.44 180.63 3dtd h ASN 178 N 0.85 0.72 0.37 1.25 2.35 -1.21 -0.66 115.58 119.26 3dtd h ASN 178 Ca 0.14 0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.75 3dtd h ASN 178 Cb 0.66 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 3dtd h ASN 178 CO 0.05 0.45 -0.63 -0.09 -1.65 0.00 0.00 177.43 175.56 3dtd h ARG 179 N 0.81 0.24 -0.46 0.81 9.65 -1.21 -1.45 114.38 122.77 3dtd h ARG 179 Ca 0.36 -0.17 -0.12 0.00 -1.10 0.00 0.00 59.98 58.95 3dtd h ARG 179 Cb 0.35 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.94 3dtd h ARG 179 CO -0.14 0.79 -0.18 -0.07 2.80 0.00 0.00 179.97 183.17 3dtd h LEU 180 N 0.18 0.91 -0.42 3.80 3.38 -0.56 -0.99 115.31 121.61 3dtd h LEU 180 Ca -0.01 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 3dtd h LEU 180 Cb 1.14 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3dtd h LEU 180 CO 0.10 1.07 0.19 0.40 0.09 0.00 0.00 178.44 180.28 3dtd h ILE 181 N 0.79 1.19 -0.35 1.22 2.04 -1.04 -2.43 117.51 118.93 3dtd h ILE 181 Ca 0.11 -0.55 -0.06 0.00 1.00 0.00 0.00 64.86 65.37 3dtd h ILE 181 Cb 0.72 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 3dtd h ILE 181 CO 0.06 0.21 -0.02 0.00 0.00 0.00 0.00 178.15 178.39 3dtd h ALA 182 N 1.03 1.32 0.00 1.87 0.00 -1.17 -2.64 119.26 119.68 3dtd h ALA 182 Ca 0.14 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3dtd h ALA 182 Cb 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3dtd h ALA 182 CO -0.02 0.46 -0.18 -0.07 0.00 0.00 0.00 179.25 179.45 3dtd h LEU 183 N 0.52 0.00 -0.43 0.00 3.38 -1.05 -2.89 115.31 114.84 3dtd h LEU 183 Ca 0.11 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 3dtd h LEU 183 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3dtd h LEU 183 CO 0.01 0.18 -0.37 1.56 0.09 0.00 0.00 178.44 179.91 3dtd h GLN 184 N 0.00 0.91 0.00 1.13 4.20 -1.07 -3.21 115.11 117.08 3dtd h GLN 184 Ca -0.00 -0.47 -0.10 0.00 0.06 0.00 0.00 58.65 58.14 3dtd h GLN 184 Cb 0.86 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 3dtd h GLN 184 CO 0.02 1.12 -0.49 0.87 -0.67 0.00 0.00 178.83 179.69 3dtd h LYS 185 N 0.75 0.00 0.00 1.46 1.57 -1.45 -3.52 116.57 115.38 3dtd h LYS 185 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3dtd h LYS 185 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 3dtd h LYS 185 CO 0.09 0.49 0.00 0.39 -0.57 0.00 0.00 179.45 179.85