#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 4.57 -0.23 2.46 2.96 -1.26 -4.84 118.68 122.34 3dtd s LEU 43 Ca 0.00 2.13 -0.25 0.00 -0.22 0.00 0.00 54.13 55.79 3dtd s LEU 43 Cb 0.00 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.07 3dtd s LEU 43 CO 0.00 -0.07 0.83 -0.89 -1.32 0.00 0.00 176.35 174.90 3dtd s THR 44 N -0.95 4.85 0.02 3.68 2.01 -1.26 -4.64 115.64 119.35 3dtd s THR 44 Ca 0.44 1.58 -0.11 0.00 0.31 0.00 0.00 61.69 63.92 3dtd s THR 44 Cb -0.29 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.04 3dtd s THR 44 CO 0.37 -0.05 0.37 -1.61 -0.69 0.00 0.00 174.62 173.00 3dtd s GLU 45 N 2.69 3.78 -0.14 4.92 2.02 -0.39 -4.93 118.70 126.65 3dtd s GLU 45 Ca 0.36 0.22 0.02 0.00 0.02 0.00 0.00 54.97 55.59 3dtd s GLU 45 Cb -0.16 -3.11 0.01 0.00 0.10 0.00 0.00 34.13 30.97 3dtd s GLU 45 CO 0.08 0.64 -0.22 0.99 0.02 0.00 0.00 175.26 176.78 3dtd s THR 46 N -1.22 2.10 -0.35 3.63 2.01 -1.26 -0.60 115.64 119.95 3dtd s THR 46 Ca 0.27 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.31 3dtd s THR 46 Cb -0.15 -1.84 0.11 0.00 0.01 0.00 0.00 72.50 70.63 3dtd s THR 46 CO 0.15 0.55 0.12 -0.31 -0.69 0.00 0.00 174.62 174.43 3dtd s TYR 47 N 0.82 2.21 0.00 4.92 2.02 0.43 -5.02 117.35 122.73 3dtd s TYR 47 Ca -0.07 -2.16 0.00 0.00 -0.37 0.00 0.00 57.07 54.47 3dtd s TYR 47 Cb -0.15 -2.02 0.00 0.00 -0.40 0.00 0.00 41.96 39.39 3dtd s TYR 47 CO -0.02 -0.87 0.00 0.41 -1.57 0.00 0.00 175.55 173.50 3dtd n GLY 48 N 4.43 2.47 0.29 0.71 0.00 -1.26 -1.28 105.19 110.55 3dtd n GLY 48 Ca 0.01 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 1.44 -4.89 0.99 4.77 0.37 -4.97 117.00 114.72 3dtd n LEU 49 Ca 0.00 -0.52 -0.34 0.00 -0.03 0.00 0.00 56.01 55.13 3dtd n LEU 49 Cb 0.00 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 40.99 3dtd n LEU 49 CO 0.00 0.28 -0.06 0.26 -1.33 0.00 0.00 177.39 176.54 3dtd s TRP 50 N -2.63 3.56 0.15 -1.77 0.52 -0.40 -4.81 118.94 113.55 3dtd s TRP 50 Ca 0.17 0.53 0.10 0.00 0.02 0.00 0.00 56.10 56.92 3dtd s TRP 50 Cb 0.18 -1.96 -0.04 0.00 -1.15 0.00 0.00 33.47 30.50 3dtd s TRP 50 CO 0.63 0.60 -0.18 -1.12 0.02 0.00 0.00 176.95 176.89 3dtd s SER 51 N -1.85 3.82 -0.09 2.95 0.01 0.04 -0.43 113.70 118.15 3dtd s SER 51 Ca 0.29 -0.64 0.01 0.00 1.31 0.00 0.00 55.95 56.92 3dtd s SER 51 Cb -0.13 -0.49 0.02 0.00 0.21 0.00 0.00 66.02 65.62 3dtd s SER 51 CO 0.18 0.15 -0.11 -0.63 0.41 0.00 0.00 173.24 173.24 3dtd s ILE 52 N -1.35 1.13 -0.01 1.44 1.01 0.23 -0.60 121.20 123.05 3dtd s ILE 52 Ca 0.20 -0.42 0.06 0.00 0.00 0.00 0.00 60.65 60.48 3dtd s ILE 52 Cb -0.10 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 3dtd s ILE 52 CO 0.11 0.37 -0.19 0.20 0.00 0.00 0.00 174.94 175.43 3dtd s ASN 53 N 1.12 2.18 -0.06 3.58 -0.87 -0.84 -1.27 114.94 118.78 3dtd s ASN 53 Ca -0.06 -0.36 0.03 0.00 -1.57 0.00 0.00 52.86 50.90 3dtd s ASN 53 Cb -0.14 -0.23 -0.02 0.00 -0.02 0.00 0.00 41.25 40.83 3dtd s ASN 53 CO -0.02 0.21 -0.13 0.00 -2.57 0.00 0.00 177.10 174.59 3dtd s GLY 55 N -0.61 0.18 -0.68 0.00 0.00 0.19 -4.69 107.32 101.71 3dtd s GLY 55 Ca 0.09 -0.45 -0.21 0.00 0.00 0.00 0.00 44.72 44.14 3dtd s GLY 55 CO 0.01 -0.54 0.93 -0.42 0.00 0.00 0.00 173.10 173.08 3dtd s ILE 56 N -1.45 4.47 -0.31 0.90 1.09 -1.26 -0.76 121.20 123.88 3dtd s ILE 56 Ca -0.16 -0.64 -0.10 0.00 -1.10 0.00 0.00 60.65 58.66 3dtd s ILE 56 Cb -0.09 -4.66 -0.01 0.00 -1.06 0.00 0.00 42.46 36.64 3dtd s ILE 56 CO -0.00 -1.40 0.15 -1.10 -0.10 0.00 0.00 174.94 172.49 3dtd s GLN 57 N 3.62 3.37 -1.39 2.79 -0.21 -0.13 -4.63 119.66 123.09 3dtd s GLN 57 Ca 0.21 -0.70 -0.09 0.00 0.02 0.00 0.00 55.36 54.80 3dtd s GLN 57 Cb -0.17 -3.56 0.02 0.00 1.00 0.00 0.00 33.01 30.30 3dtd s GLN 57 CO 0.07 -0.40 1.14 0.39 -2.12 0.00 0.00 175.29 174.37 3dtd n GLU 58 N 4.98 -7.49 0.00 2.91 1.02 -1.26 -3.06 120.64 117.74 3dtd n GLU 58 Ca -0.14 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 3dtd n GLU 58 Cb 0.49 -5.81 0.00 0.00 -0.02 0.00 0.00 31.44 26.10 3dtd n GLU 58 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dtd n GLY 59 N -1.92 2.99 3.91 0.62 0.00 -1.26 -5.04 105.19 104.49 3dtd n GLY 59 Ca 0.00 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 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 3.54 0.04 1.61 -2.85 -1.17 -5.04 119.74 115.88 3dtd s LYS 60 Ca 0.00 0.09 -0.22 0.00 -1.00 0.00 0.00 55.97 54.84 3dtd s LYS 60 Cb 0.00 -2.45 -0.06 0.00 -2.06 0.00 0.00 37.83 33.26 3dtd s LYS 60 CO 0.00 -0.11 0.66 0.21 0.10 0.00 0.00 175.35 176.21 3dtd s LYS 61 N -4.56 4.37 -0.02 1.78 2.20 -1.26 -0.95 119.74 121.29 3dtd s LYS 61 Ca 0.46 0.87 0.01 0.00 -0.36 0.00 0.00 55.97 56.95 3dtd s LYS 61 Cb -0.10 -3.32 0.01 0.00 -1.51 0.00 0.00 37.83 32.91 3dtd s LYS 61 CO 0.42 0.41 -0.04 0.54 -0.36 0.00 0.00 175.35 176.32 3dtd s VAL 62 N -0.41 0.44 -0.11 4.02 0.11 0.06 -4.91 120.40 119.60 3dtd s VAL 62 Ca 0.33 -0.15 0.02 0.00 -2.93 0.00 0.00 61.98 59.25 3dtd s VAL 62 Cb -0.20 -0.44 -0.01 0.00 -1.53 0.00 0.00 36.38 34.21 3dtd s VAL 62 CO 0.20 0.17 -0.17 0.00 -3.33 0.00 0.00 175.10 171.97 3dtd s PHE 64 N 0.23 2.19 -0.17 0.00 -0.12 -0.03 -4.53 117.98 115.54 3dtd s PHE 64 Ca -0.11 -0.38 -0.00 0.00 -0.05 0.00 0.00 56.93 56.39 3dtd s PHE 64 Cb -0.16 -1.07 -0.00 0.00 -0.63 0.00 0.00 43.02 41.15 3dtd s PHE 64 CO 0.06 0.47 -0.14 1.41 -0.05 0.00 0.00 175.22 176.98 3dtd s MET 65 N -2.75 3.24 0.06 1.99 1.75 0.72 -1.98 119.30 122.33 3dtd s MET 65 Ca 0.20 -0.73 -0.07 0.00 -1.25 0.00 0.00 55.69 53.84 3dtd s MET 65 Cb -0.07 -2.68 -0.01 0.00 2.84 0.00 0.00 34.83 34.91 3dtd s MET 65 CO 0.09 -0.02 0.13 -3.38 -0.65 0.00 0.00 175.02 171.20 3dtd s HIS 66 N 0.92 0.20 -0.18 4.11 -3.43 0.23 0.12 115.29 117.25 3dtd s HIS 66 Ca -0.03 -0.56 -0.14 0.00 -0.80 0.00 0.00 55.06 53.54 3dtd s HIS 66 Cb -0.15 -0.12 0.05 0.00 -1.43 0.00 0.00 32.58 30.93 3dtd s HIS 66 CO -0.01 -0.44 0.47 0.50 -2.00 0.00 0.00 174.74 173.26 3dtd s ARG 67 N -3.20 0.51 -0.02 -0.38 6.06 -0.72 -0.78 118.95 120.42 3dtd s ARG 67 Ca -0.00 0.76 0.06 0.00 -2.50 0.00 0.00 55.73 54.06 3dtd s ARG 67 Cb 0.02 0.14 -0.02 0.00 0.06 0.00 0.00 34.95 35.15 3dtd s ARG 67 CO -0.07 -0.11 -0.20 -0.65 -2.50 0.00 0.00 175.30 171.76 3dtd s GLN 68 N 0.83 2.23 -0.09 5.12 -0.21 -1.26 -1.05 119.66 125.23 3dtd s GLN 68 Ca -0.05 -0.86 0.01 0.00 0.02 0.00 0.00 55.36 54.48 3dtd s GLN 68 Cb -0.05 -2.19 -0.02 0.00 1.00 0.00 0.00 33.01 31.74 3dtd s GLN 68 CO -0.07 0.58 -0.11 -1.21 -2.12 0.00 0.00 175.29 172.36 3dtd s GLU 69 N -0.84 2.92 0.28 2.91 0.41 0.89 -5.00 118.70 120.27 3dtd s GLU 69 Ca 0.11 -0.64 0.11 0.00 -0.41 0.00 0.00 54.97 54.15 3dtd s GLU 69 Cb -0.10 -2.56 -0.05 0.00 -1.78 0.00 0.00 34.13 29.64 3dtd s GLU 69 CO 0.01 0.48 -0.14 0.14 -0.49 0.00 0.00 175.26 175.26 3dtd s VAL 70 N -0.35 2.77 0.00 2.63 -7.23 -1.26 -1.24 120.40 115.72 3dtd s VAL 70 Ca 0.04 -2.26 0.00 0.00 -1.81 0.00 0.00 61.98 57.95 3dtd s VAL 70 Cb -0.12 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.35 3dtd s VAL 70 CO 0.02 -0.39 0.00 -0.46 -0.31 0.00 0.00 175.10 173.96 3dtd n ASN 71 N -0.70 0.00 0.16 4.85 0.23 -0.85 -4.90 115.26 114.05 3dtd n ASN 71 Ca -0.05 -0.98 0.13 0.00 -0.53 0.00 0.00 54.58 53.14 3dtd n ASN 71 Cb 0.60 0.00 0.53 0.00 -2.08 0.00 0.00 39.78 38.83 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 -0.19 0.53 3.04 -2.02 -1.90 116.42 115.88 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 -2.38 1.84 -2.24 4.15 1.13 -1.26 -4.95 117.38 113.66 3dtd n GLN 73 Ca 0.02 -1.26 -0.19 0.00 -1.94 0.00 0.00 57.00 53.62 3dtd n GLN 73 Cb 0.24 -1.41 -0.02 0.00 0.11 0.00 0.00 30.24 29.16 3dtd n GLN 73 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3dtd n ASN 74 N 0.49 -5.52 -4.75 1.08 5.15 -0.72 -5.02 115.26 105.98 3dtd n ASN 74 Ca 0.16 0.06 -0.33 0.00 -0.60 0.00 0.00 54.58 53.87 3dtd n ASN 74 Cb 0.37 -4.58 -0.08 0.00 -0.53 0.00 0.00 39.78 34.96 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 -4.76 2.98 -0.04 1.20 1.70 -1.26 -4.85 118.95 113.92 3dtd s ARG 75 Ca 0.00 -0.52 -0.30 0.00 -0.47 0.00 0.00 55.73 54.44 3dtd s ARG 75 Cb 0.00 -2.80 -0.05 0.00 -0.57 0.00 0.00 34.95 31.53 3dtd s ARG 75 CO 0.00 0.64 1.48 0.08 -1.08 0.00 0.00 175.30 176.42 3dtd s VAL 76 N -1.16 3.71 -0.22 4.99 1.01 -1.26 -2.00 120.40 125.47 3dtd s VAL 76 Ca 0.22 0.99 -0.01 0.00 0.00 0.00 0.00 61.98 63.19 3dtd s VAL 76 Cb -0.12 -3.64 -0.13 0.00 0.00 0.00 0.00 36.38 32.49 3dtd s VAL 76 CO 0.13 -0.05 -0.21 0.52 0.00 0.00 0.00 175.10 175.49 3dtd n VAL 77 N 5.06 1.25 -3.91 2.92 0.31 -0.37 -4.98 118.33 118.61 3dtd n VAL 77 Ca 0.15 -0.45 -0.13 0.00 -0.01 0.00 0.00 64.34 63.90 3dtd n VAL 77 Cb 0.43 -1.36 -0.14 0.00 -0.91 0.00 0.00 33.84 31.86 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 -2.43 0.06 0.08 2.52 0.11 -1.19 -3.47 120.40 116.08 3dtd s VAL 78 Ca -0.30 -0.03 0.04 0.00 -2.93 0.00 0.00 61.98 58.76 3dtd s VAL 78 Cb 0.08 -0.06 -0.03 0.00 -1.53 0.00 0.00 36.38 34.84 3dtd s VAL 78 CO 0.48 0.02 -0.10 0.00 -3.33 0.00 0.00 175.10 172.17 3dtd s ALA 79 N -0.00 0.97 -0.03 1.54 0.00 -0.52 -0.08 121.76 123.64 3dtd s ALA 79 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.93 3dtd s ALA 79 Cb -0.01 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.15 3dtd s ALA 79 CO -0.00 0.01 0.01 1.41 0.00 0.00 0.00 175.76 177.19 3dtd s MET 80 N -2.25 0.23 -0.04 0.00 1.75 -0.22 -0.03 119.30 118.75 3dtd s MET 80 Ca -0.00 0.12 0.04 0.00 -1.25 0.00 0.00 55.69 54.60 3dtd s MET 80 Cb -0.06 -0.47 -0.00 0.00 2.84 0.00 0.00 34.83 37.13 3dtd s MET 80 CO 0.00 -0.17 -0.16 0.45 -0.65 0.00 0.00 175.02 174.50 3dtd s SER 81 N 1.18 1.97 -0.01 1.11 0.15 -0.12 -1.75 113.70 116.23 3dtd s SER 81 Ca -0.08 -0.32 -0.01 0.00 0.70 0.00 0.00 55.95 56.25 3dtd s SER 81 Cb -0.13 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.67 3dtd s SER 81 CO -0.02 0.14 0.03 -0.69 1.20 0.00 0.00 173.24 173.90 3dtd s VAL 82 N 0.03 -0.00 0.31 4.45 1.01 0.12 -0.63 120.40 125.69 3dtd s VAL 82 Ca -0.03 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.05 3dtd s VAL 82 Cb -0.11 -0.05 -0.06 0.00 0.00 0.00 0.00 36.38 36.16 3dtd s VAL 82 CO 0.02 0.01 -0.09 0.68 0.00 0.00 0.00 175.10 175.71 3dtd s VAL 83 N 0.09 2.04 -0.16 2.92 -7.23 0.77 -0.20 120.40 118.63 3dtd s VAL 83 Ca -0.01 -2.20 -0.07 0.00 -1.81 0.00 0.00 61.98 57.90 3dtd s VAL 83 Cb -0.01 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 3dtd s VAL 83 CO -0.00 -0.27 0.08 -0.22 -0.31 0.00 0.00 175.10 174.39 3dtd s LEU 84 N -3.53 4.00 0.39 1.32 0.20 -1.26 -2.37 118.68 117.42 3dtd s LEU 84 Ca 0.31 0.21 0.05 0.00 0.69 0.00 0.00 54.13 55.40 3dtd s LEU 84 Cb 0.02 -1.99 -0.00 0.00 -0.43 0.00 0.00 46.19 43.79 3dtd s LEU 84 CO 0.14 0.26 0.55 0.20 -0.29 0.00 0.00 176.35 177.22 3dtd s ASN 85 N -0.17 5.83 0.39 3.68 0.01 -0.71 -5.02 114.94 118.95 3dtd s ASN 85 Ca 0.08 -0.13 0.13 0.00 -0.71 0.00 0.00 52.86 52.24 3dtd s ASN 85 Cb -0.12 -1.15 0.79 0.00 0.41 0.00 0.00 41.25 41.18 3dtd s ASN 85 CO 0.01 -0.60 1.87 0.00 -1.51 0.00 0.00 177.10 176.87 3dtd h ALA 86 N 0.68 1.47 0.00 0.60 0.00 -2.00 -2.35 119.26 117.67 3dtd h ALA 86 Ca -0.44 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3dtd h ALA 86 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3dtd h ALA 86 CO 0.52 0.40 0.00 0.38 0.00 0.00 0.00 179.25 180.55 3dtd h ASP 87 N 0.02 0.00 0.00 0.00 2.03 -2.05 -3.47 116.42 112.94 3dtd h ASP 87 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3dtd h ASP 87 Cb 0.56 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.06 3dtd h ASP 87 CO 0.04 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.86 3dtd n GLY 88 N 0.87 0.97 3.83 7.15 0.00 -0.88 -5.11 105.19 112.01 3dtd n GLY 88 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3dtd n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dtd s VAL 89 N -2.00 4.31 -0.25 1.61 0.11 -1.26 -4.77 120.40 118.14 3dtd s VAL 89 Ca 0.00 1.14 -0.05 0.00 -2.93 0.00 0.00 61.98 60.14 3dtd s VAL 89 Cb 0.00 -3.62 -0.01 0.00 -1.53 0.00 0.00 36.38 31.23 3dtd s VAL 89 CO 0.00 -0.60 0.02 -0.69 -3.33 0.00 0.00 175.10 170.50 3dtd s VAL 90 N -2.52 3.73 0.15 2.04 1.01 -1.21 -1.74 120.40 121.86 3dtd s VAL 90 Ca 0.61 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 3dtd s VAL 90 Cb -0.12 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3dtd s VAL 90 CO 0.31 0.28 0.08 -0.94 0.00 0.00 0.00 175.10 174.83 3dtd s SER 91 N 1.50 0.29 0.00 3.32 1.04 -1.00 -0.38 113.70 118.48 3dtd s SER 91 Ca 0.04 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.21 3dtd s SER 91 Cb -0.16 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.28 3dtd s SER 91 CO -0.00 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.07 3dtd n GLY 92 N -0.15 -0.64 3.00 7.32 0.00 -0.52 -0.16 105.19 114.04 3dtd n GLY 92 Ca -0.03 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 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 0.87 -0.18 1.61 0.01 0.20 -1.39 114.94 112.06 3dtd s ASN 93 Ca 0.00 -0.19 -0.01 0.00 -0.71 0.00 0.00 52.86 51.94 3dtd s ASN 93 Cb 0.00 -0.08 -0.00 0.00 0.41 0.00 0.00 41.25 41.58 3dtd s ASN 93 CO 0.00 0.05 -0.11 -0.22 -1.51 0.00 0.00 177.10 175.31 3dtd s LEU 94 N -0.38 2.66 -0.26 0.60 2.96 0.10 -0.95 118.68 123.42 3dtd s LEU 94 Ca 0.01 -0.42 -0.15 0.00 -0.22 0.00 0.00 54.13 53.35 3dtd s LEU 94 Cb -0.04 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 3dtd s LEU 94 CO -0.00 0.06 0.38 -0.89 -1.32 0.00 0.00 176.35 174.57 3dtd s THR 95 N 1.00 5.17 0.35 3.68 2.01 0.96 -0.04 115.64 128.77 3dtd s THR 95 Ca -0.01 0.59 0.08 0.00 0.31 0.00 0.00 61.69 62.67 3dtd s THR 95 Cb -0.15 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 3dtd s THR 95 CO -0.02 0.16 0.08 0.68 -0.69 0.00 0.00 174.62 174.84 3dtd s VAL 96 N 2.02 2.77 1.07 3.82 -7.23 0.38 -1.44 120.40 121.79 3dtd s VAL 96 Ca 0.15 -1.83 -0.12 0.00 -1.81 0.00 0.00 61.98 58.38 3dtd s VAL 96 Cb -0.16 -2.89 0.23 0.00 0.56 0.00 0.00 36.38 34.12 3dtd s VAL 96 CO 0.10 -0.17 1.07 -2.84 -0.31 0.00 0.00 175.10 172.94 3dtd s PRO 97 N -3.79 -0.21 0.83 4.82 0.02 -1.23 -0.87 135.00 134.58 3dtd s PRO 97 Ca 0.37 1.07 -0.11 0.00 0.02 0.00 0.00 61.00 62.34 3dtd s PRO 97 Cb -0.01 -1.62 0.09 0.00 0.02 0.00 0.00 34.50 32.98 3dtd s PRO 97 CO 0.21 -3.31 1.09 -0.06 -0.33 0.00 0.00 177.00 174.60 3dtd s PHE 98 N -2.55 2.47 0.00 6.54 0.08 -1.26 -4.23 117.98 119.04 3dtd s PHE 98 Ca 0.68 1.41 0.00 0.00 0.12 0.00 0.00 56.93 59.13 3dtd s PHE 98 Cb -0.24 -3.10 0.00 0.00 -0.57 0.00 0.00 43.02 39.11 3dtd s PHE 98 CO 0.62 -2.07 0.00 0.41 -0.10 0.00 0.00 175.22 174.08 3dtd n GLY 99 N -1.20 0.63 3.76 4.36 0.00 -1.26 -5.04 105.19 106.45 3dtd n GLY 99 Ca 0.08 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 5.02 -0.22 -0.61 -1.09 -1.26 -0.63 121.20 120.41 3dtd s ILE 100 Ca 0.00 1.07 -0.29 0.00 -2.23 0.00 0.00 60.65 59.21 3dtd s ILE 100 Cb 0.00 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 3dtd s ILE 100 CO 0.00 0.42 1.94 -0.22 -1.23 0.00 0.00 174.94 175.85 3dtd s LEU 101 N -0.08 3.67 0.33 2.97 2.96 0.13 -4.59 118.68 124.06 3dtd s LEU 101 Ca 0.28 1.76 0.16 0.00 -0.22 0.00 0.00 54.13 56.10 3dtd s LEU 101 Cb -0.17 -3.52 0.49 0.00 0.50 0.00 0.00 46.19 43.49 3dtd s LEU 101 CO 0.14 -1.64 1.65 0.58 -1.32 0.00 0.00 176.35 175.76 3dtd h VAL 102 N 6.67 1.04 0.00 1.68 2.07 -1.95 -3.11 116.25 122.65 3dtd h VAL 102 Ca -0.38 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.30 3dtd h VAL 102 Cb 1.20 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 3dtd h VAL 102 CO 0.99 0.47 -0.02 0.77 0.02 0.00 0.00 177.57 179.79 3dtd h SER 103 N 0.00 0.00 -2.87 0.57 4.64 -1.96 -3.42 113.55 110.51 3dtd h SER 103 Ca -0.00 -0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.68 3dtd h SER 103 Cb 1.05 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.09 3dtd h SER 103 CO 0.06 0.00 -0.43 -0.54 -0.87 0.00 0.00 176.83 175.05 3dtd s LYS 104 N -3.20 3.52 0.76 4.77 1.02 -1.17 -5.09 119.74 120.35 3dtd s LYS 104 Ca 0.07 -0.17 -0.11 0.00 0.02 0.00 0.00 55.97 55.78 3dtd s LYS 104 Cb 0.06 -3.08 0.05 0.00 -0.52 0.00 0.00 37.83 34.33 3dtd s LYS 104 CO 0.67 0.66 1.08 -2.14 -0.92 0.00 0.00 175.35 174.70 3dtd s PRO 105 N -1.84 2.40 -0.26 -1.68 0.02 -1.26 -4.82 135.00 127.56 3dtd s PRO 105 Ca 0.27 0.73 -0.08 0.00 0.02 0.00 0.00 61.00 61.94 3dtd s PRO 105 Cb -0.13 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.41 3dtd s PRO 105 CO 0.17 -1.42 0.11 0.08 -0.33 0.00 0.00 177.00 175.60 3dtd s VAL 106 N -3.13 4.60 -0.22 3.83 1.01 0.38 -4.52 120.40 122.35 3dtd s VAL 106 Ca 0.60 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.39 3dtd s VAL 106 Cb -0.14 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 3dtd s VAL 106 CO 0.54 0.31 0.20 -0.60 0.00 0.00 0.00 175.10 175.55 3dtd s ARG 107 N 1.66 4.12 -0.16 2.72 3.52 0.59 -1.38 118.95 130.01 3dtd s ARG 107 Ca 0.07 -0.17 -0.02 0.00 -0.13 0.00 0.00 55.73 55.47 3dtd s ARG 107 Cb -0.15 -3.51 -0.02 0.00 -1.56 0.00 0.00 34.95 29.71 3dtd s ARG 107 CO 0.06 0.10 -0.07 -0.51 -0.81 0.00 0.00 175.30 174.06 3dtd s LEU 108 N 0.94 2.96 -0.02 -0.88 1.02 1.00 -0.90 118.68 122.80 3dtd s LEU 108 Ca 0.10 -0.27 -0.00 0.00 0.02 0.00 0.00 54.13 53.98 3dtd s LEU 108 Cb -0.13 -1.71 0.03 0.00 0.02 0.00 0.00 46.19 44.40 3dtd s LEU 108 CO 0.04 0.13 0.04 -1.58 0.02 0.00 0.00 176.35 174.99 3dtd s GLN 109 N 0.61 -0.03 -0.36 1.70 0.74 -0.55 -0.58 119.66 121.19 3dtd s GLN 109 Ca -0.05 0.19 -0.28 0.00 0.05 0.00 0.00 55.36 55.27 3dtd s GLN 109 Cb -0.15 -0.23 0.02 0.00 1.10 0.00 0.00 33.01 33.75 3dtd s GLN 109 CO 0.03 -0.16 1.03 0.08 -0.55 0.00 0.00 175.29 175.72 3dtd s VAL 110 N 1.01 4.49 0.00 1.34 1.01 -1.13 0.07 120.40 127.20 3dtd s VAL 110 Ca -0.08 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.38 3dtd s VAL 110 Cb -0.12 -4.42 0.00 0.00 0.00 0.00 0.00 36.38 31.84 3dtd s VAL 110 CO -0.03 -0.58 0.00 0.47 0.00 0.00 0.00 175.10 174.96 3dtd n ASP 111 N 6.98 0.00 -0.22 3.32 8.00 -0.47 -1.80 116.55 132.37 3dtd n ASP 111 Ca 0.10 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.68 3dtd n ASP 111 Cb 0.48 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.70 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 10.40 1.12 -1.05 -1.24 1.02 -1.26 -4.81 120.64 124.82 3dtd n GLU 112 Ca 0.00 -2.44 -0.10 0.00 -0.02 0.00 0.00 57.16 54.60 3dtd n GLU 112 Cb 0.00 -1.35 0.07 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.17 -0.35 0.07 0.62 0.00 -0.74 -5.00 105.19 98.62 3dtd n GLY 113 Ca 0.14 -1.83 0.13 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.93 0.31 -2.07 1.61 5.02 -1.26 -4.72 118.16 115.11 3dtd n LYS 114 Ca 0.07 -0.15 -0.30 0.00 -2.02 0.00 0.00 58.31 55.91 3dtd n LYS 114 Cb 0.23 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.70 3dtd n LYS 114 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dtd s ALA 115 N -2.79 1.82 -0.14 7.82 0.00 -1.26 -4.94 121.76 122.26 3dtd s ALA 115 Ca 0.18 -1.36 0.02 0.00 0.00 0.00 0.00 51.96 50.80 3dtd s ALA 115 Cb 0.19 -4.50 0.01 0.00 0.00 0.00 0.00 23.12 18.82 3dtd s ALA 115 CO 0.59 -4.57 -0.20 0.08 0.00 0.00 0.00 175.76 171.67 3dtd s VAL 116 N 9.64 1.92 -0.08 0.00 1.01 -1.26 -2.81 120.40 128.81 3dtd s VAL 116 Ca 0.68 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.79 3dtd s VAL 116 Cb -0.08 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 3dtd s VAL 116 CO 0.03 0.52 -0.11 -0.63 0.00 0.00 0.00 175.10 174.91 3dtd s ILE 117 N 1.01 3.30 -0.19 2.22 1.01 0.25 -4.99 121.20 123.81 3dtd s ILE 117 Ca -0.03 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.02 3dtd s ILE 117 Cb -0.15 -2.34 0.03 0.00 0.01 0.00 0.00 42.46 40.01 3dtd s ILE 117 CO -0.05 0.57 -0.18 -0.70 0.00 0.00 0.00 174.94 174.58 3dtd s GLU 118 N -0.42 2.83 0.20 2.79 2.12 -1.26 -0.00 118.70 124.96 3dtd s GLU 118 Ca 0.05 -0.92 0.04 0.00 0.36 0.00 0.00 54.97 54.51 3dtd s GLU 118 Cb -0.12 -2.62 -0.02 0.00 0.26 0.00 0.00 34.13 31.64 3dtd s GLU 118 CO 0.02 -0.28 0.15 -2.37 -0.54 0.00 0.00 175.26 172.25 3dtd n THR 119 N 4.59 0.00 -4.21 -1.70 5.66 -0.48 -4.97 114.28 113.18 3dtd n THR 119 Ca -0.20 -1.42 -0.13 0.00 -3.05 0.00 0.00 64.05 59.25 3dtd n THR 119 Cb 0.49 0.67 -0.09 0.00 -1.55 0.00 0.00 70.33 69.84 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 -2.38 1.58 0.15 1.09 0.00 -1.26 0.14 107.32 106.64 3dtd s GLY 120 Ca 0.21 -1.74 -0.30 0.00 0.00 0.00 0.00 44.72 42.89 3dtd s GLY 120 CO 0.15 -1.38 1.30 -0.42 0.00 0.00 0.00 173.10 172.75 3dtd s ILE 121 N -4.01 3.41 -0.18 0.90 1.01 -1.26 -4.15 121.20 116.93 3dtd s ILE 121 Ca 0.39 1.09 -0.09 0.00 0.00 0.00 0.00 60.65 62.04 3dtd s ILE 121 Cb 0.06 -3.70 -0.22 0.00 0.01 0.00 0.00 42.46 38.61 3dtd s ILE 121 CO 0.15 0.13 0.17 -1.14 0.00 0.00 0.00 174.94 174.25 3dtd n ARG 122 N 3.21 0.69 -3.80 2.79 0.63 0.37 -5.00 116.66 115.55 3dtd n ARG 122 Ca 0.08 0.31 -0.06 0.00 -0.92 0.00 0.00 57.85 57.26 3dtd n ARG 122 Cb 0.43 -1.67 -0.02 0.00 0.45 0.00 0.00 32.46 31.66 3dtd n ARG 122 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3dtd s THR 123 N -2.51 0.00 0.02 5.15 -1.32 -1.23 -5.02 115.64 110.73 3dtd s THR 123 Ca -0.27 -0.83 0.06 0.00 -1.21 0.00 0.00 61.69 59.44 3dtd s THR 123 Cb 0.08 -1.96 -0.02 0.00 -1.51 0.00 0.00 72.50 69.09 3dtd s THR 123 CO 0.68 0.00 -0.19 0.00 -2.21 0.00 0.00 174.62 172.90 3dtd s VAL 125 N -0.68 1.23 0.54 0.00 -7.23 0.40 -4.97 120.40 109.69 3dtd s VAL 125 Ca 0.06 -2.00 0.33 0.00 -1.81 0.00 0.00 61.98 58.57 3dtd s VAL 125 Cb -0.08 -2.64 0.51 0.00 0.56 0.00 0.00 36.38 34.73 3dtd s VAL 125 CO 0.01 0.00 1.86 -0.65 -0.31 0.00 0.00 175.10 176.01 3dtd h PRO 126 N 1.84 0.00 0.00 4.82 0.11 -2.04 -0.39 132.00 136.34 3dtd h PRO 126 Ca -0.41 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3dtd h PRO 126 Cb 1.26 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3dtd h PRO 126 CO 0.70 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.49 3dtd h ALA 127 N 1.51 1.00 0.00 -0.75 0.00 -1.99 -3.50 119.26 115.53 3dtd h ALA 127 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3dtd h ALA 127 Cb 1.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.68 3dtd h ALA 127 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 3dtd n GLY 128 N 0.66 0.96 3.75 0.00 0.00 -0.16 -4.93 105.19 105.47 3dtd n GLY 128 Ca 0.03 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 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 0.26 5.28 -0.32 0.00 -1.09 0.18 -0.47 121.20 125.05 3dtd s ILE 130 Ca 0.21 0.36 -0.02 0.00 -2.23 0.00 0.00 60.65 58.97 3dtd s ILE 130 Cb -0.14 -3.59 0.06 0.00 -1.58 0.00 0.00 42.46 37.20 3dtd s ILE 130 CO 0.07 0.27 0.04 -0.69 -1.23 0.00 0.00 174.94 173.40 3dtd s VAL 131 N 1.47 3.09 0.29 2.92 1.01 0.94 -0.48 120.40 129.63 3dtd s VAL 131 Ca 0.11 -1.47 -0.29 0.00 0.00 0.00 0.00 61.98 60.33 3dtd s VAL 131 Cb -0.15 -2.83 -0.10 0.00 0.00 0.00 0.00 36.38 33.30 3dtd s VAL 131 CO 0.08 -0.21 1.27 -2.84 0.00 0.00 0.00 175.10 173.40 3dtd s PRO 132 N 1.24 4.42 -0.02 2.72 0.02 -1.26 0.03 135.00 142.16 3dtd s PRO 132 Ca -0.03 2.09 0.02 0.00 0.02 0.00 0.00 61.00 63.11 3dtd s PRO 132 Cb -0.20 -3.13 0.01 0.00 0.02 0.00 0.00 34.50 31.20 3dtd s PRO 132 CO -0.01 -0.12 -0.07 0.96 -0.33 0.00 0.00 177.00 177.42 3dtd s ILE 133 N -0.82 0.65 -0.10 2.83 -4.36 -0.49 -4.75 121.20 114.15 3dtd s ILE 133 Ca 0.50 -0.28 0.01 0.00 -0.26 0.00 0.00 60.65 60.62 3dtd s ILE 133 Cb -0.37 -0.59 0.02 0.00 1.25 0.00 0.00 42.46 42.76 3dtd s ILE 133 CO 0.47 0.21 -0.11 -0.69 0.24 0.00 0.00 174.94 175.06 3dtd s VAL 134 N 0.26 1.22 -0.20 8.37 1.01 -1.26 -1.44 120.40 128.36 3dtd s VAL 134 Ca -0.04 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 3dtd s VAL 134 Cb -0.08 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 3dtd s VAL 134 CO 0.00 0.39 0.01 -0.36 0.00 0.00 0.00 175.10 175.14 3dtd s PHE 135 N 1.24 3.06 0.91 5.22 2.99 0.49 -5.02 117.98 126.89 3dtd s PHE 135 Ca -0.03 -0.38 -0.14 0.00 0.00 0.00 0.00 56.93 56.38 3dtd s PHE 135 Cb -0.14 -2.08 0.15 0.00 0.00 0.00 0.00 43.02 40.95 3dtd s PHE 135 CO -0.04 -0.19 1.23 0.16 -0.00 0.00 0.00 175.22 176.38 3dtd s ASP 136 N 0.92 3.54 0.30 1.36 1.47 -1.26 -3.35 116.67 119.65 3dtd s ASP 136 Ca 0.01 0.60 0.03 0.00 1.18 0.00 0.00 52.55 54.38 3dtd s ASP 136 Cb -0.14 -0.90 0.63 0.00 -0.34 0.00 0.00 42.92 42.16 3dtd s ASP 136 CO 0.02 -2.50 1.85 0.11 0.68 0.00 0.00 175.17 175.33 3dtd h LYS 137 N -1.47 0.88 -0.40 2.11 1.79 -1.99 -0.58 116.57 116.91 3dtd h LYS 137 Ca -0.46 -0.05 -0.16 0.00 -2.18 0.00 0.00 60.65 57.80 3dtd h LYS 137 Cb 1.29 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.73 3dtd h LYS 137 CO 0.52 0.58 -0.36 -0.91 -1.08 0.00 0.00 179.45 178.20 3dtd h ASN 138 N 0.91 1.01 -0.19 0.86 4.21 -1.99 -2.41 115.58 117.97 3dtd h ASN 138 Ca 0.48 -0.45 -0.18 0.00 1.21 0.00 0.00 56.30 57.35 3dtd h ASN 138 Cb 0.54 -0.28 -0.00 0.00 -1.12 0.00 0.00 38.32 37.46 3dtd h ASN 138 CO -0.24 1.26 -0.57 0.22 -1.29 0.00 0.00 177.43 176.81 3dtd h TYR 139 N 0.79 1.00 -0.77 1.19 5.03 -1.76 -2.55 116.97 119.89 3dtd h TYR 139 Ca 0.07 -0.36 0.04 0.00 2.58 0.00 0.00 58.73 61.06 3dtd h TYR 139 Cb 0.96 -0.19 -0.05 0.00 1.55 0.00 0.00 36.73 39.00 3dtd h TYR 139 CO 0.06 1.17 0.48 0.28 -1.32 0.00 0.00 178.16 178.83 3dtd h VAL 140 N 0.60 1.07 -0.43 1.81 2.07 -1.13 -0.25 116.25 119.98 3dtd h VAL 140 Ca 0.01 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 3dtd h VAL 140 Cb 1.16 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3dtd h VAL 140 CO 0.12 0.17 0.03 0.00 0.02 0.00 0.00 177.57 177.91 3dtd h ALA 141 N 1.35 1.25 -0.34 1.67 0.00 -1.34 -1.62 119.26 120.22 3dtd h ALA 141 Ca 0.32 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3dtd h ALA 141 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3dtd h ALA 141 CO -0.14 0.51 -0.37 0.00 0.00 0.00 0.00 179.25 179.25 3dtd h ALA 142 N 1.39 0.71 -0.90 0.00 0.00 -1.00 -2.90 119.26 116.56 3dtd h ALA 142 Ca 0.14 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3dtd h ALA 142 Cb 0.36 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3dtd h ALA 142 CO 0.01 0.66 0.50 -0.07 0.00 0.00 0.00 179.25 180.36 3dtd h LEU 143 N 0.66 1.11 -1.05 0.00 4.07 -0.69 -0.41 115.31 118.99 3dtd h LEU 143 Ca 0.06 -0.09 -0.09 0.00 0.08 0.00 0.00 57.88 57.84 3dtd h LEU 143 Cb 0.92 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.36 3dtd h LEU 143 CO 0.08 0.88 -0.32 0.03 -1.08 0.00 0.00 178.44 178.03 3dtd h ARG 144 N 1.25 0.27 0.00 1.13 3.08 -1.25 -3.10 114.38 115.76 3dtd h ARG 144 Ca 0.32 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3dtd h ARG 144 Cb 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3dtd h ARG 144 CO -0.05 0.57 -0.81 0.00 -1.07 0.00 0.00 179.97 178.61 3dtd n ALA 145 N -2.48 3.59 -1.99 0.04 0.00 -1.08 -4.68 120.51 113.91 3dtd n ALA 145 Ca -0.01 -0.40 -0.27 0.00 0.00 0.00 0.00 53.44 52.76 3dtd n ALA 145 Cb 0.42 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 18.90 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 -3.35 1.63 -0.17 0.00 0.00 -0.18 -5.04 107.32 100.21 3dtd s GLY 146 Ca 0.07 -0.66 0.01 0.00 0.00 0.00 0.00 44.72 44.14 3dtd s GLY 146 CO 0.77 -0.31 -0.15 0.28 0.00 0.00 0.00 173.10 173.69 3dtd n LYS 147 N -2.82 0.41 -4.47 2.90 5.02 -1.26 -4.72 118.16 113.23 3dtd n LYS 147 Ca 0.06 0.10 -0.21 0.00 -2.02 0.00 0.00 58.31 56.25 3dtd n LYS 147 Cb 0.58 -1.32 -0.15 0.00 -0.02 0.00 0.00 35.03 34.12 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 -2.33 1.02 -0.50 2.13 3.76 -1.26 -0.92 115.29 117.19 3dtd s HIS 148 Ca -0.23 -0.22 -0.16 0.00 -0.15 0.00 0.00 55.06 54.30 3dtd s HIS 148 Cb 0.06 -0.69 0.10 0.00 1.11 0.00 0.00 32.58 33.16 3dtd s HIS 148 CO 0.38 -0.06 0.44 -1.17 -0.85 0.00 0.00 174.74 173.48 3dtd s LEU 149 N -0.06 5.86 0.20 0.89 2.96 0.52 -1.37 118.68 127.68 3dtd s LEU 149 Ca 0.01 -1.53 -0.30 0.00 -0.22 0.00 0.00 54.13 52.09 3dtd s LEU 149 Cb -0.06 -2.19 -0.08 0.00 0.50 0.00 0.00 46.19 44.35 3dtd s LEU 149 CO 0.00 -0.73 0.95 -0.54 -1.32 0.00 0.00 176.35 174.71 3dtd s LYS 150 N 1.62 4.80 -0.04 1.98 1.02 0.11 -0.87 119.74 128.37 3dtd s LYS 150 Ca 0.04 1.49 0.03 0.00 0.02 0.00 0.00 55.97 57.54 3dtd s LYS 150 Cb -0.27 -3.31 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 3dtd s LYS 150 CO 0.05 0.41 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.28 3dtd s LEU 151 N -0.81 2.98 -0.05 3.17 2.01 -0.19 -1.49 118.68 124.30 3dtd s LEU 151 Ca 0.43 -0.14 0.01 0.00 0.01 0.00 0.00 54.13 54.44 3dtd s LEU 151 Cb -0.25 -1.66 0.02 0.00 0.01 0.00 0.00 46.19 44.31 3dtd s LEU 151 CO 0.32 0.33 -0.05 0.00 1.01 0.00 0.00 176.35 177.96 3dtd s ALA 152 N -0.83 0.78 0.28 4.21 0.00 -0.08 -4.32 121.76 121.81 3dtd s ALA 152 Ca 0.13 -0.14 -0.08 0.00 0.00 0.00 0.00 51.96 51.88 3dtd s ALA 152 Cb -0.11 -0.51 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 3dtd s ALA 152 CO 0.03 -0.08 0.45 0.00 0.00 0.00 0.00 175.76 176.15 3dtd s MET 153 N 1.06 1.65 -0.13 0.00 0.23 -0.70 -0.30 119.30 121.11 3dtd s MET 153 Ca -0.09 -1.48 -0.02 0.00 -1.03 0.00 0.00 55.69 53.08 3dtd s MET 153 Cb -0.14 0.44 -0.02 0.00 -1.53 0.00 0.00 34.83 33.58 3dtd s MET 153 CO -0.01 -0.68 -0.07 0.99 -2.03 0.00 0.00 175.02 173.22 3dtd s THR 154 N -3.65 3.59 0.10 3.16 2.01 -1.26 -0.06 115.64 119.53 3dtd s THR 154 Ca 0.27 -0.48 -0.30 0.00 0.31 0.00 0.00 61.69 61.49 3dtd s THR 154 Cb 0.00 -2.53 -0.06 0.00 0.01 0.00 0.00 72.50 69.93 3dtd s THR 154 CO 0.13 0.53 0.96 -0.63 -0.69 0.00 0.00 174.62 174.92 3dtd s ILE 155 N 0.10 4.53 -1.24 1.82 1.01 0.29 0.19 121.20 127.90 3dtd s ILE 155 Ca -0.03 2.07 -0.19 0.00 0.00 0.00 0.00 60.65 62.50 3dtd s ILE 155 Cb -0.14 -4.32 0.07 0.00 0.01 0.00 0.00 42.46 38.08 3dtd s ILE 155 CO 0.03 0.31 1.67 0.00 0.00 0.00 0.00 174.94 176.96 3dtd s ALA 156 N 0.06 3.20 0.09 9.38 0.00 0.19 -3.89 121.76 130.79 3dtd s ALA 156 Ca 0.47 -2.79 -0.08 0.00 0.00 0.00 0.00 51.96 49.56 3dtd s ALA 156 Cb -0.23 -4.62 -0.00 0.00 0.00 0.00 0.00 23.12 18.27 3dtd s ALA 156 CO 0.30 -3.36 0.18 0.00 0.00 0.00 0.00 175.76 172.88 3dtd s ALA 157 N 4.35 -0.18 -0.10 0.00 0.00 -1.26 -4.92 121.76 119.65 3dtd s ALA 157 Ca 0.52 -0.66 -0.35 0.00 0.00 0.00 0.00 51.96 51.47 3dtd s ALA 157 Cb 0.03 0.48 -0.13 0.00 0.00 0.00 0.00 23.12 23.51 3dtd s ALA 157 CO 0.04 -0.51 1.81 -2.30 0.00 0.00 0.00 175.76 174.81 3dtd n PRO 158 N -0.06 1.96 0.00 0.00 -0.02 -1.26 -0.92 135.00 134.70 3dtd n PRO 158 Ca -0.15 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3dtd n PRO 158 Cb 0.62 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 4.22 2.78 3.53 -1.23 0.00 -1.26 -4.69 105.19 108.54 3dtd n GLY 159 Ca 0.23 0.00 -0.19 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 -1.78 -1.35 -2.51 1.61 1.02 -0.09 -4.96 120.64 112.57 3dtd n GLU 160 Ca 0.00 0.89 -0.34 0.00 -0.02 0.00 0.00 57.16 57.68 3dtd n GLU 160 Cb 0.00 -3.97 -0.03 0.00 -0.02 0.00 0.00 31.44 27.42 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 -4.69 3.77 0.48 3.49 0.02 -1.25 -4.70 135.00 132.12 3dtd s PRO 161 Ca 0.16 1.41 -0.19 0.00 0.02 0.00 0.00 61.00 62.40 3dtd s PRO 161 Cb -0.06 -2.11 -0.09 0.00 0.02 0.00 0.00 34.50 32.26 3dtd s PRO 161 CO 0.84 -0.46 0.98 -1.25 -0.33 0.00 0.00 177.00 176.78 3dtd s PRO 162 N -3.19 4.01 -0.29 5.54 0.04 -1.26 -0.55 135.00 139.30 3dtd s PRO 162 Ca 0.67 1.08 0.03 0.00 0.04 0.00 0.00 61.00 62.82 3dtd s PRO 162 Cb -0.18 -2.14 0.07 0.00 0.04 0.00 0.00 34.50 32.29 3dtd s PRO 162 CO 0.21 -0.22 -0.05 -1.17 0.04 0.00 0.00 177.00 175.81 3dtd s LEU 163 N -3.67 3.87 0.00 -3.56 2.96 0.91 -4.81 118.68 114.37 3dtd s LEU 163 Ca 0.61 -1.59 0.00 0.00 -0.22 0.00 0.00 54.13 52.94 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 0.23 -0.25 0.24 0.59 -1.32 0.00 0.00 176.35 175.83 3dtd n ASN 164 N 4.41 0.47 -0.50 3.68 3.02 -1.26 -1.73 115.26 123.35 3dtd n ASN 164 Ca -0.09 -0.74 0.12 0.00 -0.03 0.00 0.00 54.58 53.83 3dtd n ASN 164 Cb 0.42 0.42 0.44 0.00 -0.61 0.00 0.00 39.78 40.45 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 -0.42 1.53 -4.85 6.41 3.85 -1.26 -4.67 116.55 117.14 3dtd n ASP 165 Ca 0.00 -1.62 -0.34 0.00 -0.71 0.00 0.00 54.79 52.11 3dtd n ASP 165 Cb 0.01 -0.07 -0.06 0.00 -1.35 0.00 0.00 41.12 39.66 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 -1.70 4.28 0.22 -2.12 1.02 -1.26 -5.02 118.68 114.10 3dtd s LEU 166 Ca 0.34 1.09 -0.15 0.00 0.02 0.00 0.00 54.13 55.43 3dtd s LEU 166 Cb 0.18 -3.45 0.01 0.00 0.02 0.00 0.00 46.19 42.96 3dtd s LEU 166 CO 0.28 0.03 0.50 0.72 0.02 0.00 0.00 176.35 177.91 3dtd s PHE 167 N -1.59 0.11 -0.13 0.29 -0.12 -1.26 -1.02 117.98 114.27 3dtd s PHE 167 Ca 0.42 -0.48 0.02 0.00 -0.05 0.00 0.00 56.93 56.84 3dtd s PHE 167 Cb -0.14 0.30 0.00 0.00 -0.63 0.00 0.00 43.02 42.55 3dtd s PHE 167 CO 0.20 -0.96 -0.20 0.08 -0.05 0.00 0.00 175.22 174.29 3dtd s VAL 168 N -3.94 2.34 0.15 -2.49 1.01 -0.05 -4.91 120.40 112.52 3dtd s VAL 168 Ca 0.15 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 3dtd s VAL 168 Cb -0.01 -1.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.35 3dtd s VAL 168 CO 0.03 0.54 1.08 -1.10 0.00 0.00 0.00 175.10 175.65 3dtd s GLN 169 N 0.61 4.60 0.00 2.72 -0.21 -1.26 -0.36 119.66 125.77 3dtd s GLN 169 Ca -0.11 1.66 0.18 0.00 0.02 0.00 0.00 55.36 57.12 3dtd s GLN 169 Cb -0.16 -3.30 0.43 0.00 1.00 0.00 0.00 33.01 30.98 3dtd s GLN 169 CO 0.03 0.08 1.36 1.28 -2.12 0.00 0.00 175.29 175.91 3dtd n LEU 170 N 2.58 3.35 -4.61 2.90 4.77 -0.09 -4.92 117.00 120.96 3dtd n LEU 170 Ca 0.03 -1.77 -0.43 0.00 -0.03 0.00 0.00 56.01 53.81 3dtd n LEU 170 Cb 0.47 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 3dtd n LEU 170 CO 0.53 0.79 1.69 0.21 -1.33 0.00 0.00 177.39 179.28 3dtd s ASN 171 N -1.13 5.80 0.00 -1.43 3.84 -1.26 -1.59 114.94 119.17 3dtd s ASN 171 Ca 0.35 1.84 0.00 0.00 0.21 0.00 0.00 52.86 55.26 3dtd s ASN 171 Cb 0.19 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.37 3dtd s ASN 171 CO 0.26 -1.70 0.00 0.61 -2.79 0.00 0.00 177.10 173.49 3dtd n GLY 172 N 5.39 0.41 0.12 1.21 0.00 -1.26 -0.48 105.19 110.58 3dtd n GLY 172 Ca 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 -0.17 1.61 3.57 -1.53 -1.16 116.94 119.25 3dtd h PHE 173 Ca 0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3dtd h PHE 173 Cb 0.00 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 3dtd h PHE 173 CO 0.00 -0.03 0.10 1.03 -2.23 0.00 0.00 178.31 177.18 3dtd h SER 174 N 0.09 0.20 -0.27 0.41 0.87 -1.83 -0.18 113.55 112.84 3dtd h SER 174 Ca 0.12 -0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.54 3dtd h SER 174 Cb 0.15 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3dtd h SER 174 CO -0.20 0.19 -0.16 0.78 -0.53 0.00 0.00 176.83 176.91 3dtd h ASN 175 N 0.20 0.70 0.09 6.23 2.35 -1.92 -0.70 115.58 122.53 3dtd h ASN 175 Ca 0.06 -0.22 -0.12 0.00 -0.55 0.00 0.00 56.30 55.47 3dtd h ASN 175 Cb 0.02 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3dtd h ASN 175 CO -0.01 0.87 -0.42 0.00 -1.65 0.00 0.00 177.43 176.22 3dtd h ALA 176 N 1.20 0.95 -0.12 -0.83 0.00 -1.06 -2.36 119.26 117.03 3dtd h ALA 176 Ca 0.10 -0.43 -0.20 0.00 0.00 0.00 0.00 54.91 54.38 3dtd h ALA 176 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3dtd h ALA 176 CO 0.04 0.63 -0.73 1.25 0.00 0.00 0.00 179.25 180.44 3dtd h LEU 177 N 0.34 0.70 -1.25 0.00 5.85 -0.75 -2.09 115.31 118.11 3dtd h LEU 177 Ca 0.03 -0.45 0.04 0.00 0.84 0.00 0.00 57.88 58.34 3dtd h LEU 177 Cb 0.88 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 3dtd h LEU 177 CO 0.07 1.21 0.52 0.78 -0.34 0.00 0.00 178.44 180.69 3dtd h ASN 178 N 0.41 0.83 -0.20 1.25 2.35 -1.09 -1.09 115.58 118.03 3dtd h ASN 178 Ca -0.04 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.57 3dtd h ASN 178 Cb 1.33 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 3dtd h ASN 178 CO 0.14 0.57 -0.36 -0.09 -1.65 0.00 0.00 177.43 176.05 3dtd h ARG 179 N 0.97 0.73 -0.49 0.81 9.65 -1.29 -1.40 114.38 123.35 3dtd h ARG 179 Ca 0.32 -0.35 -0.07 0.00 -1.10 0.00 0.00 59.98 58.78 3dtd h ARG 179 Cb 0.05 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 3dtd h ARG 179 CO -0.09 0.97 0.03 -0.07 2.80 0.00 0.00 179.97 183.61 3dtd h LEU 180 N 0.61 0.76 -0.42 3.80 4.07 -0.87 0.02 115.31 123.28 3dtd h LEU 180 Ca 0.06 -0.17 -0.06 0.00 0.08 0.00 0.00 57.88 57.79 3dtd h LEU 180 Cb 0.89 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.41 3dtd h LEU 180 CO 0.08 0.81 0.04 0.40 -1.08 0.00 0.00 178.44 178.68 3dtd h ILE 181 N 0.75 1.25 -0.23 1.22 2.04 -1.09 -2.62 117.51 118.83 3dtd h ILE 181 Ca 0.15 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 3dtd h ILE 181 Cb 0.41 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3dtd h ILE 181 CO 0.01 0.32 -0.11 0.00 0.00 0.00 0.00 178.15 178.37 3dtd h ALA 182 N 0.92 1.37 0.00 1.87 0.00 -0.96 -2.76 119.26 119.70 3dtd h ALA 182 Ca 0.12 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3dtd h ALA 182 Cb 0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3dtd h ALA 182 CO 0.01 0.43 -0.22 -0.07 0.00 0.00 0.00 179.25 179.40 3dtd h LEU 183 N 0.36 0.00 -0.49 0.00 3.38 -0.92 -2.97 115.31 114.66 3dtd h LEU 183 Ca 0.07 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 3dtd h LEU 183 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3dtd h LEU 183 CO 0.02 0.22 -0.46 1.56 0.09 0.00 0.00 178.44 179.88 3dtd h GLN 184 N 0.00 0.72 0.00 1.13 4.20 -1.18 -3.18 115.11 116.81 3dtd h GLN 184 Ca -0.00 -0.41 -0.12 0.00 0.06 0.00 0.00 58.65 58.18 3dtd h GLN 184 Cb 1.02 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 3dtd h GLN 184 CO 0.03 1.03 -0.57 0.87 -0.67 0.00 0.00 178.83 179.51 3dtd h LYS 185 N 0.58 0.00 0.00 1.46 1.57 -1.49 -3.52 116.57 115.16 3dtd h LYS 185 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3dtd h LYS 185 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3dtd h LYS 185 CO 0.10 0.57 0.00 0.39 -0.57 0.00 0.00 179.45 179.94