#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 4.45 -0.20 2.46 2.96 -1.26 -4.84 118.68 122.25 3dtd s LEU 43 Ca 0.00 1.95 -0.29 0.00 -0.22 0.00 0.00 54.13 55.57 3dtd s LEU 43 Cb 0.00 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.10 3dtd s LEU 43 CO 0.00 -0.25 1.07 -0.89 -1.32 0.00 0.00 176.35 174.96 3dtd s THR 44 N 0.27 4.62 0.16 3.68 2.01 -1.26 -4.67 115.64 120.45 3dtd s THR 44 Ca 0.51 1.95 -0.08 0.00 0.31 0.00 0.00 61.69 64.38 3dtd s THR 44 Cb -0.27 -4.26 -0.06 0.00 0.01 0.00 0.00 72.50 67.92 3dtd s THR 44 CO 0.32 -0.15 0.46 -1.61 -0.69 0.00 0.00 174.62 172.94 3dtd s GLU 45 N 3.08 3.75 -0.10 4.92 2.02 -0.40 -4.93 118.70 127.04 3dtd s GLU 45 Ca 0.46 0.15 0.02 0.00 0.02 0.00 0.00 54.97 55.62 3dtd s GLU 45 Cb -0.17 -2.82 0.01 0.00 0.10 0.00 0.00 34.13 31.26 3dtd s GLU 45 CO 0.09 0.44 -0.14 0.99 0.02 0.00 0.00 175.26 176.66 3dtd s THR 46 N -1.63 1.40 -0.33 3.63 2.01 -1.26 -0.94 115.64 118.52 3dtd s THR 46 Ca 0.41 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.82 3dtd s THR 46 Cb -0.12 -1.29 0.10 0.00 0.01 0.00 0.00 72.50 71.20 3dtd s THR 46 CO 0.21 0.42 0.11 -0.31 -0.69 0.00 0.00 174.62 174.36 3dtd s TYR 47 N 0.95 2.14 0.00 4.92 2.02 0.35 -5.01 117.35 122.71 3dtd s TYR 47 Ca -0.08 -2.06 0.00 0.00 -0.37 0.00 0.00 57.07 54.56 3dtd s TYR 47 Cb -0.15 -1.97 0.00 0.00 -0.40 0.00 0.00 41.96 39.44 3dtd s TYR 47 CO -0.01 -0.88 0.00 0.41 -1.57 0.00 0.00 175.55 173.50 3dtd n GLY 48 N 4.58 2.74 0.57 0.71 0.00 -1.26 -1.27 105.19 111.25 3dtd n GLY 48 Ca 0.00 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.32 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 2.04 -4.89 0.99 4.77 0.05 -4.96 117.00 115.01 3dtd n LEU 49 Ca 0.00 -0.70 -0.33 0.00 -0.03 0.00 0.00 56.01 54.94 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 0.36 -0.17 0.26 -1.33 0.00 0.00 177.39 176.51 3dtd s TRP 50 N -2.31 3.51 0.16 -1.77 0.52 -0.39 -4.81 118.94 113.84 3dtd s TRP 50 Ca 0.24 0.33 0.10 0.00 0.02 0.00 0.00 56.10 56.79 3dtd s TRP 50 Cb 0.19 -1.81 -0.04 0.00 -1.15 0.00 0.00 33.47 30.66 3dtd s TRP 50 CO 0.47 0.63 -0.17 -1.12 0.02 0.00 0.00 176.95 176.79 3dtd s SER 51 N -1.94 3.90 -0.08 2.95 0.01 -0.09 -0.50 113.70 117.95 3dtd s SER 51 Ca 0.27 -0.65 0.01 0.00 1.31 0.00 0.00 55.95 56.90 3dtd s SER 51 Cb -0.13 -0.53 0.02 0.00 0.21 0.00 0.00 66.02 65.59 3dtd s SER 51 CO 0.19 0.14 -0.10 -0.63 0.41 0.00 0.00 173.24 173.24 3dtd s ILE 52 N -1.47 1.05 0.00 1.44 1.01 -0.12 -0.57 121.20 122.54 3dtd s ILE 52 Ca 0.21 -0.38 0.06 0.00 0.00 0.00 0.00 60.65 60.54 3dtd s ILE 52 Cb -0.09 -1.01 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 3dtd s ILE 52 CO 0.12 0.35 -0.17 0.20 0.00 0.00 0.00 174.94 175.43 3dtd s ASN 53 N 1.08 2.05 -0.13 3.58 -0.87 -0.80 -1.27 114.94 118.56 3dtd s ASN 53 Ca -0.07 -0.37 -0.01 0.00 -1.57 0.00 0.00 52.86 50.84 3dtd s ASN 53 Cb -0.14 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.25 40.86 3dtd s ASN 53 CO -0.01 0.18 -0.09 0.00 -2.57 0.00 0.00 177.10 174.60 3dtd n GLY 55 N 3.39 5.66 3.12 0.00 0.00 -0.71 -4.69 105.19 111.97 3dtd n GLY 55 Ca -0.18 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 43.96 3dtd n GLY 55 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dtd s ILE 56 N -0.62 1.16 0.00 -0.61 -4.36 -1.26 -2.25 121.20 113.25 3dtd s ILE 56 Ca 0.00 -0.69 0.00 0.00 -0.26 0.00 0.00 60.65 59.70 3dtd s ILE 56 Cb 0.00 -0.98 0.00 0.00 1.25 0.00 0.00 42.46 42.73 3dtd s ILE 56 CO 0.00 0.28 0.00 0.00 0.24 0.00 0.00 174.94 175.46 3dtd n GLN 57 N 2.59 3.36 -1.33 0.37 6.02 -1.26 -4.98 117.38 122.15 3dtd n GLN 57 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 3dtd n GLN 57 Cb 0.55 -0.37 0.00 0.00 1.02 0.00 0.00 30.24 31.43 3dtd n GLN 57 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3dtd n LYS 60 N -0.23 -3.77 -2.51 -1.09 4.81 -1.26 -5.02 118.16 109.09 3dtd n LYS 60 Ca 0.00 2.83 -0.42 0.00 -0.87 0.00 0.00 58.31 59.84 3dtd n LYS 60 Cb 0.00 -3.22 -0.03 0.00 0.02 0.00 0.00 35.03 31.81 3dtd n LYS 60 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3dtd s LYS 61 N -4.26 4.38 -0.08 1.64 2.20 -1.26 -4.99 119.74 117.37 3dtd s LYS 61 Ca 0.00 1.61 -0.02 0.00 -0.36 0.00 0.00 55.97 57.20 3dtd s LYS 61 Cb 0.00 -3.54 0.04 0.00 -1.51 0.00 0.00 37.83 32.82 3dtd s LYS 61 CO 0.00 -0.40 0.04 0.54 -0.36 0.00 0.00 175.35 175.17 3dtd s VAL 62 N 2.08 0.10 -0.14 4.02 0.11 -0.96 -5.02 120.40 120.59 3dtd s VAL 62 Ca 0.54 0.16 -0.11 0.00 -2.93 0.00 0.00 61.98 59.65 3dtd s VAL 62 Cb -0.23 -0.41 -0.05 0.00 -1.53 0.00 0.00 36.38 34.16 3dtd s VAL 62 CO 0.22 0.10 0.20 0.00 -3.33 0.00 0.00 175.10 172.29 3dtd s PHE 64 N -0.20 1.83 -0.14 0.00 -0.12 0.15 -4.54 117.98 114.96 3dtd s PHE 64 Ca 0.14 -0.50 0.02 0.00 -0.05 0.00 0.00 56.93 56.53 3dtd s PHE 64 Cb -0.12 -0.86 0.01 0.00 -0.63 0.00 0.00 43.02 41.42 3dtd s PHE 64 CO 0.03 0.41 -0.19 1.41 -0.05 0.00 0.00 175.22 176.82 3dtd s MET 65 N -3.38 2.76 0.05 1.99 1.75 0.66 -1.91 119.30 121.23 3dtd s MET 65 Ca 0.22 -0.75 -0.07 0.00 -1.25 0.00 0.00 55.69 53.84 3dtd s MET 65 Cb -0.03 -2.32 -0.01 0.00 2.84 0.00 0.00 34.83 35.32 3dtd s MET 65 CO 0.08 -0.10 0.13 -3.38 -0.65 0.00 0.00 175.02 171.10 3dtd s HIS 66 N 1.04 0.18 -0.18 4.11 -3.43 0.27 0.00 115.29 117.28 3dtd s HIS 66 Ca -0.03 -0.52 -0.12 0.00 -0.80 0.00 0.00 55.06 53.59 3dtd s HIS 66 Cb -0.14 -0.12 0.06 0.00 -1.43 0.00 0.00 32.58 30.94 3dtd s HIS 66 CO -0.06 -0.42 0.46 0.50 -2.00 0.00 0.00 174.74 173.22 3dtd s ARG 67 N -3.02 0.47 -0.01 -0.38 6.06 -0.50 -0.91 118.95 120.67 3dtd s ARG 67 Ca -0.02 0.80 0.04 0.00 -2.50 0.00 0.00 55.73 54.06 3dtd s ARG 67 Cb 0.01 0.08 -0.03 0.00 0.06 0.00 0.00 34.95 35.07 3dtd s ARG 67 CO -0.06 -0.13 -0.13 -0.65 -2.50 0.00 0.00 175.30 171.83 3dtd s GLN 68 N 1.09 2.41 -0.09 5.12 -0.21 -1.26 -1.02 119.66 125.70 3dtd s GLN 68 Ca -0.07 -0.78 0.01 0.00 0.02 0.00 0.00 55.36 54.55 3dtd s GLN 68 Cb -0.06 -2.37 -0.02 0.00 1.00 0.00 0.00 33.01 31.55 3dtd s GLN 68 CO -0.10 0.60 -0.12 -1.21 -2.12 0.00 0.00 175.29 172.34 3dtd s GLU 69 N -1.13 2.93 0.29 2.91 0.41 0.51 -5.01 118.70 119.62 3dtd s GLU 69 Ca 0.14 -0.67 0.10 0.00 -0.41 0.00 0.00 54.97 54.14 3dtd s GLU 69 Cb -0.11 -2.53 -0.05 0.00 -1.78 0.00 0.00 34.13 29.67 3dtd s GLU 69 CO 0.04 0.45 -0.08 0.14 -0.49 0.00 0.00 175.26 175.32 3dtd s VAL 70 N -0.27 2.81 0.00 2.63 -7.23 -1.26 -1.38 120.40 115.70 3dtd s VAL 70 Ca 0.02 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 3dtd s VAL 70 Cb -0.13 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.20 3dtd s VAL 70 CO 0.03 -0.33 0.00 -0.46 -0.31 0.00 0.00 175.10 174.02 3dtd n ASN 71 N -0.80 0.00 0.27 4.85 0.23 -0.93 -4.90 115.26 113.99 3dtd n ASN 71 Ca -0.05 -0.95 0.16 0.00 -0.53 0.00 0.00 54.58 53.20 3dtd n ASN 71 Cb 0.60 0.00 0.68 0.00 -2.08 0.00 0.00 39.78 38.98 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 -1.82 116.42 115.97 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 0.06 0.00 0.00 -2.04 0.00 0.00 179.24 177.26 3dtd n GLN 73 N -3.20 1.58 -2.12 4.15 1.13 -1.26 -4.94 117.38 112.71 3dtd n GLN 73 Ca 0.00 -0.89 -0.19 0.00 -1.94 0.00 0.00 57.00 53.98 3dtd n GLN 73 Cb 0.31 -1.30 -0.03 0.00 0.11 0.00 0.00 30.24 29.33 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 0.16 -5.48 -4.76 1.08 5.15 -0.68 -5.01 115.26 105.71 3dtd n ASN 74 Ca 0.13 0.13 -0.32 0.00 -0.60 0.00 0.00 54.58 53.92 3dtd n ASN 74 Cb 0.25 -4.57 -0.07 0.00 -0.53 0.00 0.00 39.78 34.86 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 -4.56 2.97 -0.03 1.20 1.70 -1.26 -4.84 118.95 114.13 3dtd s ARG 75 Ca 0.00 -0.56 -0.30 0.00 -0.47 0.00 0.00 55.73 54.40 3dtd s ARG 75 Cb 0.00 -2.79 -0.05 0.00 -0.57 0.00 0.00 34.95 31.54 3dtd s ARG 75 CO 0.00 0.62 1.45 0.08 -1.08 0.00 0.00 175.30 176.38 3dtd s VAL 76 N -1.22 3.71 -0.22 4.99 1.01 -1.26 -2.18 120.40 125.22 3dtd s VAL 76 Ca 0.24 1.03 -0.02 0.00 0.00 0.00 0.00 61.98 63.22 3dtd s VAL 76 Cb -0.12 -3.66 -0.13 0.00 0.00 0.00 0.00 36.38 32.47 3dtd s VAL 76 CO 0.15 -0.03 -0.22 0.52 0.00 0.00 0.00 175.10 175.52 3dtd n VAL 77 N 4.94 1.25 -3.89 2.92 0.31 -0.48 -4.98 118.33 118.40 3dtd n VAL 77 Ca 0.14 -0.43 -0.11 0.00 -0.01 0.00 0.00 64.34 63.93 3dtd n VAL 77 Cb 0.43 -1.43 -0.13 0.00 -0.91 0.00 0.00 33.84 31.80 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 0.02 0.07 2.52 0.11 -1.20 -3.66 120.40 115.84 3dtd s VAL 78 Ca -0.30 -0.19 0.02 0.00 -2.93 0.00 0.00 61.98 58.58 3dtd s VAL 78 Cb 0.09 -0.06 -0.03 0.00 -1.53 0.00 0.00 36.38 34.84 3dtd s VAL 78 CO 0.47 -0.10 -0.08 0.00 -3.33 0.00 0.00 175.10 172.06 3dtd s ALA 79 N -0.30 0.79 -0.02 1.54 0.00 -0.72 -0.36 121.76 122.69 3dtd s ALA 79 Ca -0.03 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 50.88 3dtd s ALA 79 Cb -0.02 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.22 3dtd s ALA 79 CO -0.00 -0.11 0.03 1.41 0.00 0.00 0.00 175.76 177.09 3dtd s MET 80 N -2.63 -0.04 -0.02 0.00 1.75 -0.19 -0.22 119.30 117.96 3dtd s MET 80 Ca 0.00 0.17 0.05 0.00 -1.25 0.00 0.00 55.69 54.66 3dtd s MET 80 Cb -0.03 -0.23 -0.01 0.00 2.84 0.00 0.00 34.83 37.41 3dtd s MET 80 CO -0.02 -0.15 -0.16 0.45 -0.65 0.00 0.00 175.02 174.49 3dtd s SER 81 N 0.98 1.87 -0.05 1.11 0.15 0.10 -1.41 113.70 116.46 3dtd s SER 81 Ca -0.08 -0.29 -0.04 0.00 0.70 0.00 0.00 55.95 56.24 3dtd s SER 81 Cb -0.12 -0.30 0.02 0.00 -1.71 0.00 0.00 66.02 63.91 3dtd s SER 81 CO -0.03 0.17 0.12 -0.69 1.20 0.00 0.00 173.24 174.02 3dtd s VAL 82 N -0.23 -0.01 0.23 4.45 1.01 0.10 -0.54 120.40 125.40 3dtd s VAL 82 Ca 0.03 0.04 0.11 0.00 0.00 0.00 0.00 61.98 62.17 3dtd s VAL 82 Cb -0.07 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.07 3dtd s VAL 82 CO 0.00 0.02 -0.22 0.68 0.00 0.00 0.00 175.10 175.58 3dtd s VAL 83 N 0.31 2.33 -0.16 2.92 -7.23 0.13 -0.24 120.40 118.47 3dtd s VAL 83 Ca -0.02 -2.18 -0.13 0.00 -1.81 0.00 0.00 61.98 57.84 3dtd s VAL 83 Cb -0.03 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 3dtd s VAL 83 CO -0.01 -0.26 0.27 -0.22 -0.31 0.00 0.00 175.10 174.57 3dtd s LEU 84 N -3.02 4.26 0.36 1.32 0.20 -1.26 -1.95 118.68 118.59 3dtd s LEU 84 Ca 0.24 0.49 0.00 0.00 0.69 0.00 0.00 54.13 55.56 3dtd s LEU 84 Cb -0.06 -2.34 -0.03 0.00 -0.43 0.00 0.00 46.19 43.33 3dtd s LEU 84 CO 0.11 0.13 0.57 0.20 -0.29 0.00 0.00 176.35 177.07 3dtd s ASN 85 N 0.32 6.23 0.46 3.68 0.01 -0.62 -4.98 114.94 120.04 3dtd s ASN 85 Ca 0.16 0.43 0.14 0.00 -0.71 0.00 0.00 52.86 52.88 3dtd s ASN 85 Cb -0.13 -1.96 1.10 0.00 0.41 0.00 0.00 41.25 40.67 3dtd s ASN 85 CO 0.04 -0.35 2.04 0.00 -1.51 0.00 0.00 177.10 177.31 3dtd h ALA 86 N 0.70 2.01 0.00 0.60 0.00 -1.99 -0.17 119.26 120.41 3dtd h ALA 86 Ca -0.49 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 3dtd h ALA 86 Cb 1.22 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3dtd h ALA 86 CO 0.61 -0.09 -0.71 0.38 0.00 0.00 0.00 179.25 179.43 3dtd h ASP 87 N 0.29 0.00 0.00 0.00 2.03 -2.05 -3.47 116.42 113.21 3dtd h ASP 87 Ca 0.18 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.48 3dtd h ASP 87 Cb 0.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 3dtd h ASP 87 CO -0.04 0.71 0.00 0.61 -1.03 0.00 0.00 179.24 179.50 3dtd n GLY 88 N 0.93 1.82 3.79 7.15 0.00 -0.08 -5.13 105.19 113.68 3dtd n GLY 88 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 5.31 -0.28 1.61 0.11 -1.26 -4.83 120.40 119.07 3dtd s VAL 89 Ca 0.00 0.48 -0.21 0.00 -2.93 0.00 0.00 61.98 59.31 3dtd s VAL 89 Cb 0.00 -3.57 -0.01 0.00 -1.53 0.00 0.00 36.38 31.27 3dtd s VAL 89 CO 0.00 0.50 0.67 -0.69 -3.33 0.00 0.00 175.10 172.25 3dtd s VAL 90 N -0.27 4.93 0.15 2.04 1.01 -1.24 -1.59 120.40 125.42 3dtd s VAL 90 Ca 0.17 1.09 -0.04 0.00 0.00 0.00 0.00 61.98 63.20 3dtd s VAL 90 Cb -0.13 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 3dtd s VAL 90 CO 0.05 -0.08 0.14 -0.94 0.00 0.00 0.00 175.10 174.28 3dtd s SER 91 N 1.53 0.21 0.00 3.32 1.04 -0.82 -0.46 113.70 118.52 3dtd s SER 91 Ca 0.28 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.61 3dtd s SER 91 Cb -0.15 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.32 3dtd s SER 91 CO 0.10 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.14 3dtd n GLY 92 N -0.14 -0.69 2.99 7.32 0.00 -0.73 0.21 105.19 114.15 3dtd n GLY 92 Ca -0.06 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 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 0.83 -0.16 1.61 0.01 0.30 -1.44 114.94 112.10 3dtd s ASN 93 Ca 0.00 -0.13 -0.05 0.00 -0.71 0.00 0.00 52.86 51.98 3dtd s ASN 93 Cb 0.00 -0.11 -0.03 0.00 0.41 0.00 0.00 41.25 41.52 3dtd s ASN 93 CO 0.00 0.08 -0.00 -0.22 -1.51 0.00 0.00 177.10 175.45 3dtd s LEU 94 N -0.12 3.46 -0.27 0.60 2.96 0.43 -0.72 118.68 125.01 3dtd s LEU 94 Ca 0.02 -0.04 -0.09 0.00 -0.22 0.00 0.00 54.13 53.80 3dtd s LEU 94 Cb -0.03 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 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 0.22 4.75 0.37 3.68 2.01 0.69 0.15 115.64 127.51 3dtd s THR 95 Ca -0.00 -0.09 0.08 0.00 0.31 0.00 0.00 61.69 61.99 3dtd s THR 95 Cb -0.13 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 3dtd s THR 95 CO 0.02 0.25 0.17 0.68 -0.69 0.00 0.00 174.62 175.06 3dtd s VAL 96 N 1.67 2.78 1.01 3.82 -7.23 0.35 -1.76 120.40 121.04 3dtd s VAL 96 Ca 0.06 -1.66 -0.12 0.00 -1.81 0.00 0.00 61.98 58.45 3dtd s VAL 96 Cb -0.16 -2.98 0.20 0.00 0.56 0.00 0.00 36.38 34.00 3dtd s VAL 96 CO 0.07 -0.11 1.08 -2.84 -0.31 0.00 0.00 175.10 172.98 3dtd s PRO 97 N -3.89 0.31 0.83 4.82 0.02 -1.24 -1.34 135.00 134.51 3dtd s PRO 97 Ca 0.40 0.95 -0.11 0.00 0.02 0.00 0.00 61.00 62.25 3dtd s PRO 97 Cb -0.01 -1.69 0.09 0.00 0.02 0.00 0.00 34.50 32.92 3dtd s PRO 97 CO 0.23 -2.92 1.09 -0.06 -0.33 0.00 0.00 177.00 175.01 3dtd s PHE 98 N -2.70 2.48 0.00 6.54 0.08 -1.26 -4.25 117.98 118.87 3dtd s PHE 98 Ca 0.66 1.37 0.00 0.00 0.12 0.00 0.00 56.93 59.08 3dtd s PHE 98 Cb -0.22 -3.10 0.00 0.00 -0.57 0.00 0.00 43.02 39.13 3dtd s PHE 98 CO 0.60 -2.08 0.00 0.41 -0.10 0.00 0.00 175.22 174.05 3dtd n GLY 99 N -1.26 0.52 3.76 4.36 0.00 -1.26 -5.04 105.19 106.28 3dtd n GLY 99 Ca 0.08 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 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 5.12 -0.19 -0.61 -1.09 -1.26 -0.71 121.20 120.46 3dtd s ILE 100 Ca 0.00 0.90 -0.29 0.00 -2.23 0.00 0.00 60.65 59.04 3dtd s ILE 100 Cb 0.00 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 3dtd s ILE 100 CO 0.00 0.42 1.93 -0.22 -1.23 0.00 0.00 174.94 175.84 3dtd s LEU 101 N -0.01 3.75 0.28 2.97 2.96 0.16 -4.58 118.68 124.22 3dtd s LEU 101 Ca 0.25 1.85 0.14 0.00 -0.22 0.00 0.00 54.13 56.14 3dtd s LEU 101 Cb -0.16 -3.52 0.30 0.00 0.50 0.00 0.00 46.19 43.31 3dtd s LEU 101 CO 0.11 -1.56 1.55 0.58 -1.32 0.00 0.00 176.35 175.72 3dtd h VAL 102 N 6.54 1.14 0.00 1.68 2.07 -1.96 -3.12 116.25 122.61 3dtd h VAL 102 Ca -0.39 -2.17 -0.01 0.00 0.82 0.00 0.00 66.70 64.95 3dtd h VAL 102 Cb 1.20 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 33.24 3dtd h VAL 102 CO 0.98 0.56 -0.06 0.77 0.02 0.00 0.00 177.57 179.84 3dtd h SER 103 N 0.00 0.00 -2.86 0.57 4.64 -1.97 -3.42 113.55 110.51 3dtd h SER 103 Ca -0.01 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.68 3dtd h SER 103 Cb 1.22 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.26 3dtd h SER 103 CO 0.07 0.06 -0.42 -0.54 -0.87 0.00 0.00 176.83 175.13 3dtd s LYS 104 N -3.30 3.53 0.76 4.77 1.02 -1.18 -5.09 119.74 120.25 3dtd s LYS 104 Ca 0.05 -0.14 -0.11 0.00 0.02 0.00 0.00 55.97 55.79 3dtd s LYS 104 Cb 0.06 -3.09 0.05 0.00 -0.52 0.00 0.00 37.83 34.33 3dtd s LYS 104 CO 0.65 0.66 1.08 -2.14 -0.92 0.00 0.00 175.35 174.68 3dtd s PRO 105 N -1.76 2.42 -0.26 -1.68 0.02 -1.26 -4.81 135.00 127.66 3dtd s PRO 105 Ca 0.27 0.80 -0.09 0.00 0.02 0.00 0.00 61.00 61.99 3dtd s PRO 105 Cb -0.13 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 3dtd s PRO 105 CO 0.16 -1.42 0.12 0.08 -0.33 0.00 0.00 177.00 175.61 3dtd s VAL 106 N -3.09 4.75 -0.18 3.83 1.01 0.33 -4.53 120.40 122.52 3dtd s VAL 106 Ca 0.60 -0.02 -0.13 0.00 0.00 0.00 0.00 61.98 62.43 3dtd s VAL 106 Cb -0.14 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 3dtd s VAL 106 CO 0.55 0.30 0.24 -0.60 0.00 0.00 0.00 175.10 175.59 3dtd s ARG 107 N 1.68 4.22 -0.16 2.72 3.52 0.49 -1.44 118.95 129.98 3dtd s ARG 107 Ca 0.07 -0.02 -0.01 0.00 -0.13 0.00 0.00 55.73 55.64 3dtd s ARG 107 Cb -0.15 -3.44 -0.01 0.00 -1.56 0.00 0.00 34.95 29.79 3dtd s ARG 107 CO 0.07 0.22 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.16 3dtd s LEU 108 N 0.54 2.69 -0.03 -0.88 1.02 0.85 -1.02 118.68 121.85 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 -0.13 -1.63 0.03 0.00 0.02 0.00 0.00 46.19 44.49 3dtd s LEU 108 CO 0.02 0.10 0.00 -1.58 0.02 0.00 0.00 176.35 174.92 3dtd s GLN 109 N 0.73 0.27 -0.39 1.70 0.74 -0.36 -0.75 119.66 121.60 3dtd s GLN 109 Ca -0.05 0.09 -0.28 0.00 0.05 0.00 0.00 55.36 55.16 3dtd s GLN 109 Cb -0.15 -0.46 0.02 0.00 1.10 0.00 0.00 33.01 33.52 3dtd s GLN 109 CO 0.02 -0.14 1.06 0.08 -0.55 0.00 0.00 175.29 175.75 3dtd s VAL 110 N 1.03 4.42 0.00 1.34 1.01 -1.13 0.30 120.40 127.38 3dtd s VAL 110 Ca -0.10 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.27 3dtd s VAL 110 Cb -0.13 -4.46 0.00 0.00 0.00 0.00 0.00 36.38 31.78 3dtd s VAL 110 CO -0.02 -0.69 0.00 0.47 0.00 0.00 0.00 175.10 174.86 3dtd n ASP 111 N 7.20 0.00 -0.28 3.32 8.00 -0.60 -1.51 116.55 132.67 3dtd n ASP 111 Ca 0.11 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.67 3dtd n ASP 111 Cb 0.48 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.71 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 10.25 2.25 -0.61 -1.24 1.02 -1.26 -4.83 120.64 126.22 3dtd n GLU 112 Ca 0.00 -2.29 -0.10 0.00 -0.02 0.00 0.00 57.16 54.75 3dtd n GLU 112 Cb 0.00 -1.41 0.07 0.00 -0.02 0.00 0.00 31.44 30.08 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 -0.78 -1.45 0.01 0.62 0.00 -0.57 -4.97 105.19 98.05 3dtd n GLY 113 Ca 0.12 -1.65 0.13 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.07 0.04 -2.37 1.61 5.02 -1.26 -4.69 118.16 114.43 3dtd n LYS 114 Ca 0.06 -0.01 -0.36 0.00 -2.02 0.00 0.00 58.31 55.97 3dtd n LYS 114 Cb 0.20 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.67 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 -2.97 2.35 -0.15 7.82 0.00 -1.26 -4.95 121.76 122.60 3dtd s ALA 115 Ca 0.14 -1.90 0.02 0.00 0.00 0.00 0.00 51.96 50.22 3dtd s ALA 115 Cb 0.19 -4.51 0.01 0.00 0.00 0.00 0.00 23.12 18.81 3dtd s ALA 115 CO 0.59 -3.99 -0.21 0.08 0.00 0.00 0.00 175.76 172.22 3dtd s VAL 116 N 6.83 2.04 -0.08 0.00 1.01 -1.26 -2.83 120.40 126.11 3dtd s VAL 116 Ca 0.54 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3dtd s VAL 116 Cb -0.03 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 3dtd s VAL 116 CO -0.04 0.54 -0.12 -0.63 0.00 0.00 0.00 175.10 174.85 3dtd s ILE 117 N 0.99 3.24 -0.18 2.22 1.01 0.07 -4.98 121.20 123.57 3dtd s ILE 117 Ca -0.03 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 59.99 3dtd s ILE 117 Cb -0.15 -2.31 0.01 0.00 0.01 0.00 0.00 42.46 40.03 3dtd s ILE 117 CO -0.06 0.57 -0.19 -0.70 0.00 0.00 0.00 174.94 174.57 3dtd s GLU 118 N -0.45 3.04 0.21 2.79 2.12 -1.26 -0.11 118.70 125.03 3dtd s GLU 118 Ca 0.06 -0.81 0.04 0.00 0.36 0.00 0.00 54.97 54.62 3dtd s GLU 118 Cb -0.12 -2.60 -0.02 0.00 0.26 0.00 0.00 34.13 31.66 3dtd s GLU 118 CO 0.02 -0.17 0.18 -2.37 -0.54 0.00 0.00 175.26 172.38 3dtd n THR 119 N 4.54 0.00 -4.21 -1.70 5.66 -0.52 -4.97 114.28 113.07 3dtd n THR 119 Ca -0.20 -1.48 -0.12 0.00 -3.05 0.00 0.00 64.05 59.19 3dtd n THR 119 Cb 0.50 0.75 -0.10 0.00 -1.55 0.00 0.00 70.33 69.93 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 -2.43 1.44 0.14 1.09 0.00 -1.26 0.12 107.32 106.42 3dtd s GLY 120 Ca 0.24 -1.70 -0.31 0.00 0.00 0.00 0.00 44.72 42.95 3dtd s GLY 120 CO 0.17 -1.43 1.44 -0.42 0.00 0.00 0.00 173.10 172.86 3dtd s ILE 121 N -4.08 3.06 -0.15 0.90 1.01 -1.26 -4.11 121.20 116.56 3dtd s ILE 121 Ca 0.37 0.77 -0.21 0.00 0.00 0.00 0.00 60.65 61.59 3dtd s ILE 121 Cb 0.07 -3.50 -0.24 0.00 0.01 0.00 0.00 42.46 38.81 3dtd s ILE 121 CO 0.11 0.07 0.46 -0.09 0.00 0.00 0.00 174.94 175.49 3dtd h ARG 122 N 6.61 0.09 -2.80 2.79 2.43 -1.28 -3.49 114.38 118.72 3dtd h ARG 122 Ca -0.43 -0.16 0.09 0.00 -0.81 0.00 0.00 59.98 58.67 3dtd h ARG 122 Cb 1.21 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.75 3dtd h ARG 122 CO 0.87 1.08 0.30 -0.08 -1.51 0.00 0.00 179.97 180.63 3dtd s THR 123 N -2.38 0.00 0.10 0.20 -1.32 -1.23 -5.04 115.64 105.97 3dtd s THR 123 Ca -0.23 -0.76 0.10 0.00 -1.21 0.00 0.00 61.69 59.58 3dtd s THR 123 Cb 0.03 -1.85 -0.04 0.00 -1.51 0.00 0.00 72.50 69.14 3dtd s THR 123 CO 0.68 0.00 -0.25 0.00 -2.21 0.00 0.00 174.62 172.84 3dtd s VAL 125 N -1.01 0.79 0.51 0.00 -7.23 0.10 -4.97 120.40 108.59 3dtd s VAL 125 Ca 0.11 -2.00 0.27 0.00 -1.81 0.00 0.00 61.98 58.55 3dtd s VAL 125 Cb -0.10 -2.53 0.44 0.00 0.56 0.00 0.00 36.38 34.75 3dtd s VAL 125 CO 0.04 0.00 1.91 -0.65 -0.31 0.00 0.00 175.10 176.09 3dtd h PRO 126 N 1.97 0.10 0.00 4.82 0.11 -2.04 -0.85 132.00 136.11 3dtd h PRO 126 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3dtd h PRO 126 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3dtd h PRO 126 CO 0.62 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.47 3dtd h ALA 127 N 1.61 1.00 0.00 -0.75 0.00 -1.99 -3.49 119.26 115.63 3dtd h ALA 127 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3dtd h ALA 127 Cb 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3dtd h ALA 127 CO -0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.61 3dtd n GLY 128 N 0.52 0.81 3.73 0.00 0.00 -0.32 -4.92 105.19 105.01 3dtd n GLY 128 Ca 0.03 -2.01 -0.38 0.00 0.00 0.00 0.00 46.02 43.66 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 0.46 5.25 -0.31 0.00 -1.09 0.14 -0.50 121.20 125.16 3dtd s ILE 130 Ca 0.27 0.47 -0.02 0.00 -2.23 0.00 0.00 60.65 59.14 3dtd s ILE 130 Cb -0.16 -3.64 0.05 0.00 -1.58 0.00 0.00 42.46 37.14 3dtd s ILE 130 CO 0.12 0.26 0.01 -0.69 -1.23 0.00 0.00 174.94 173.41 3dtd s VAL 131 N 1.43 3.03 0.27 2.92 1.01 0.12 -0.66 120.40 128.52 3dtd s VAL 131 Ca 0.14 -1.40 -0.29 0.00 0.00 0.00 0.00 61.98 60.42 3dtd s VAL 131 Cb -0.15 -2.75 -0.09 0.00 0.00 0.00 0.00 36.38 33.38 3dtd s VAL 131 CO 0.07 -0.13 1.14 -2.84 0.00 0.00 0.00 175.10 173.34 3dtd s PRO 132 N 1.25 4.58 -0.02 2.72 0.02 -1.26 -0.43 135.00 141.87 3dtd s PRO 132 Ca -0.05 1.87 0.03 0.00 0.02 0.00 0.00 61.00 62.88 3dtd s PRO 132 Cb -0.20 -3.18 -0.00 0.00 0.02 0.00 0.00 34.50 31.14 3dtd s PRO 132 CO -0.01 0.11 -0.10 0.96 -0.33 0.00 0.00 177.00 177.63 3dtd s ILE 133 N -1.00 0.83 -0.09 2.83 -4.36 -0.52 -4.75 121.20 114.14 3dtd s ILE 133 Ca 0.46 -0.41 0.01 0.00 -0.26 0.00 0.00 60.65 60.45 3dtd s ILE 133 Cb -0.33 -0.73 0.02 0.00 1.25 0.00 0.00 42.46 42.67 3dtd s ILE 133 CO 0.42 0.25 -0.10 -0.69 0.24 0.00 0.00 174.94 175.06 3dtd s VAL 134 N 0.03 1.11 -0.20 8.37 1.01 -1.26 -1.77 120.40 127.69 3dtd s VAL 134 Ca -0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 3dtd s VAL 134 Cb -0.07 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 3dtd s VAL 134 CO 0.00 0.37 -0.00 -0.36 0.00 0.00 0.00 175.10 175.11 3dtd s PHE 135 N 1.20 3.03 0.89 5.22 2.99 0.40 -5.02 117.98 126.70 3dtd s PHE 135 Ca -0.04 -0.47 -0.13 0.00 0.00 0.00 0.00 56.93 56.28 3dtd s PHE 135 Cb -0.14 -2.08 0.14 0.00 0.00 0.00 0.00 43.02 40.94 3dtd s PHE 135 CO -0.03 -0.24 1.20 0.16 -0.00 0.00 0.00 175.22 176.31 3dtd s ASP 136 N 0.99 3.71 0.31 1.36 1.47 -1.26 -3.66 116.67 119.60 3dtd s ASP 136 Ca 0.02 0.69 0.05 0.00 1.18 0.00 0.00 52.55 54.48 3dtd s ASP 136 Cb -0.14 -1.07 0.69 0.00 -0.34 0.00 0.00 42.92 42.06 3dtd s ASP 136 CO 0.02 -2.40 1.84 0.11 0.68 0.00 0.00 175.17 175.42 3dtd h LYS 137 N -1.40 0.81 -0.16 2.11 1.79 -1.99 -0.31 116.57 117.42 3dtd h LYS 137 Ca -0.47 -0.05 -0.17 0.00 -2.18 0.00 0.00 60.65 57.78 3dtd h LYS 137 Cb 1.30 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.77 3dtd h LYS 137 CO 0.56 0.54 -0.61 -0.91 -1.08 0.00 0.00 179.45 177.95 3dtd h ASN 138 N 0.84 0.63 -0.02 0.86 -0.26 -1.99 -2.32 115.58 113.32 3dtd h ASN 138 Ca 0.50 -0.36 -0.21 0.00 -0.56 0.00 0.00 56.30 55.67 3dtd h ASN 138 Cb 0.66 -0.18 0.01 0.00 -1.06 0.00 0.00 38.32 37.74 3dtd h ASN 138 CO -0.26 1.09 -0.77 0.22 -1.06 0.00 0.00 177.43 176.65 3dtd h TYR 139 N 0.41 0.91 -0.51 1.19 5.03 -1.71 -2.62 116.97 119.66 3dtd h TYR 139 Ca -0.01 -0.40 0.04 0.00 2.58 0.00 0.00 58.73 60.94 3dtd h TYR 139 Cb 1.17 -0.14 -0.04 0.00 1.55 0.00 0.00 36.73 39.27 3dtd h TYR 139 CO 0.05 1.21 0.27 0.28 -1.32 0.00 0.00 178.16 178.65 3dtd h VAL 140 N 0.46 0.98 -0.35 1.81 2.07 -1.09 -0.57 116.25 119.55 3dtd h VAL 140 Ca -0.05 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 3dtd h VAL 140 Cb 1.38 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3dtd h VAL 140 CO 0.15 0.10 0.11 0.00 0.02 0.00 0.00 177.57 177.95 3dtd h ALA 141 N 1.26 1.54 -0.21 1.67 0.00 -1.39 -1.81 119.26 120.32 3dtd h ALA 141 Ca 0.22 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 3dtd h ALA 141 Cb 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3dtd h ALA 141 CO -0.14 0.35 -0.59 0.00 0.00 0.00 0.00 179.25 178.87 3dtd h ALA 142 N 1.63 0.57 -0.86 0.00 0.00 -1.05 -2.99 119.26 116.55 3dtd h ALA 142 Ca 0.12 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 3dtd h ALA 142 Cb 0.16 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3dtd h ALA 142 CO -0.01 0.69 0.45 -0.07 0.00 0.00 0.00 179.25 180.31 3dtd h LEU 143 N 0.51 1.09 -0.95 0.00 4.07 -0.66 -0.83 115.31 118.55 3dtd h LEU 143 Ca -0.00 -0.11 -0.10 0.00 0.08 0.00 0.00 57.88 57.75 3dtd h LEU 143 Cb 1.17 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.62 3dtd h LEU 143 CO 0.12 0.90 -0.33 0.03 -1.08 0.00 0.00 178.44 178.08 3dtd h ARG 144 N 1.21 0.36 0.00 1.13 3.08 -1.33 -3.11 114.38 115.73 3dtd h ARG 144 Ca 0.30 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3dtd h ARG 144 Cb 0.07 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3dtd h ARG 144 CO -0.04 0.65 -0.67 0.00 -1.07 0.00 0.00 179.97 178.84 3dtd n ALA 145 N -2.48 3.59 -2.01 0.04 0.00 -1.11 -4.66 120.51 113.88 3dtd n ALA 145 Ca -0.01 -0.38 -0.27 0.00 0.00 0.00 0.00 53.44 52.78 3dtd n ALA 145 Cb 0.44 -1.06 0.05 0.00 0.00 0.00 0.00 19.45 18.88 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 -3.20 1.63 -0.20 0.00 0.00 -0.33 -5.05 107.32 100.17 3dtd s GLY 146 Ca 0.09 -0.72 -0.09 0.00 0.00 0.00 0.00 44.72 44.00 3dtd s GLY 146 CO 0.74 -0.39 -0.25 0.28 0.00 0.00 0.00 173.10 173.48 3dtd n LYS 147 N -2.76 0.43 -5.02 2.90 5.02 -1.26 -4.69 118.16 112.78 3dtd n LYS 147 Ca 0.06 0.18 -0.29 0.00 -2.02 0.00 0.00 58.31 56.23 3dtd n LYS 147 Cb 0.58 -1.24 -0.15 0.00 -0.02 0.00 0.00 35.03 34.20 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 -2.37 2.17 -0.53 2.13 3.76 -1.26 -0.55 115.29 118.64 3dtd s HIS 148 Ca -0.28 -0.41 -0.16 0.00 -0.15 0.00 0.00 55.06 54.06 3dtd s HIS 148 Cb 0.10 -1.35 0.11 0.00 1.11 0.00 0.00 32.58 32.55 3dtd s HIS 148 CO 0.37 0.04 0.49 -1.17 -0.85 0.00 0.00 174.74 173.62 3dtd s LEU 149 N -0.89 5.94 0.20 0.89 2.96 0.50 -1.56 118.68 126.73 3dtd s LEU 149 Ca 0.10 -1.62 -0.30 0.00 -0.22 0.00 0.00 54.13 52.09 3dtd s LEU 149 Cb -0.09 -2.22 -0.08 0.00 0.50 0.00 0.00 46.19 44.30 3dtd s LEU 149 CO 0.00 -0.83 1.03 -0.54 -1.32 0.00 0.00 176.35 174.70 3dtd s LYS 150 N 1.73 4.70 -0.05 1.98 1.02 0.15 -0.97 119.74 128.30 3dtd s LYS 150 Ca 0.04 1.62 0.03 0.00 0.02 0.00 0.00 55.97 57.68 3dtd s LYS 150 Cb -0.28 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 3dtd s LYS 150 CO 0.04 0.26 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.10 3dtd s LEU 151 N -0.75 2.90 -0.06 3.17 2.01 -0.28 -1.22 118.68 124.45 3dtd s LEU 151 Ca 0.46 -0.15 0.01 0.00 0.01 0.00 0.00 54.13 54.45 3dtd s LEU 151 Cb -0.28 -1.62 0.02 0.00 0.01 0.00 0.00 46.19 44.33 3dtd s LEU 151 CO 0.34 0.34 -0.05 0.00 1.01 0.00 0.00 176.35 177.99 3dtd s ALA 152 N -0.79 0.83 0.27 4.21 0.00 -0.19 -4.29 121.76 121.81 3dtd s ALA 152 Ca 0.12 -0.17 -0.10 0.00 0.00 0.00 0.00 51.96 51.81 3dtd s ALA 152 Cb -0.11 -0.54 -0.00 0.00 0.00 0.00 0.00 23.12 22.47 3dtd s ALA 152 CO 0.02 -0.10 0.46 0.00 0.00 0.00 0.00 175.76 176.14 3dtd s MET 153 N 1.10 1.61 -0.13 0.00 0.23 -0.58 -0.38 119.30 121.15 3dtd s MET 153 Ca -0.08 -1.38 -0.02 0.00 -1.03 0.00 0.00 55.69 53.18 3dtd s MET 153 Cb -0.14 0.46 -0.03 0.00 -1.53 0.00 0.00 34.83 33.59 3dtd s MET 153 CO -0.01 -0.66 -0.06 0.99 -2.03 0.00 0.00 175.02 173.25 3dtd s THR 154 N -3.80 3.75 0.06 3.16 2.01 -1.26 0.21 115.64 119.77 3dtd s THR 154 Ca 0.25 -0.42 -0.29 0.00 0.31 0.00 0.00 61.69 61.53 3dtd s THR 154 Cb -0.00 -2.61 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 3dtd s THR 154 CO 0.11 0.52 0.94 -0.63 -0.69 0.00 0.00 174.62 174.88 3dtd s ILE 155 N 0.06 4.66 -1.16 1.82 1.01 0.34 0.38 121.20 128.32 3dtd s ILE 155 Ca -0.01 2.02 -0.21 0.00 0.00 0.00 0.00 60.65 62.45 3dtd s ILE 155 Cb -0.14 -4.30 0.04 0.00 0.01 0.00 0.00 42.46 38.08 3dtd s ILE 155 CO 0.03 0.26 1.66 0.00 0.00 0.00 0.00 174.94 176.89 3dtd s ALA 156 N 0.37 2.87 0.12 9.38 0.00 0.12 -3.86 121.76 130.76 3dtd s ALA 156 Ca 0.48 -2.53 -0.12 0.00 0.00 0.00 0.00 51.96 49.78 3dtd s ALA 156 Cb -0.22 -4.60 0.02 0.00 0.00 0.00 0.00 23.12 18.31 3dtd s ALA 156 CO 0.28 -3.66 0.31 0.00 0.00 0.00 0.00 175.76 172.69 3dtd s ALA 157 N 5.40 -0.55 -0.01 0.00 0.00 -1.26 -4.91 121.76 120.42 3dtd s ALA 157 Ca 0.53 -0.37 -0.34 0.00 0.00 0.00 0.00 51.96 51.78 3dtd s ALA 157 Cb 0.02 0.63 -0.12 0.00 0.00 0.00 0.00 23.12 23.64 3dtd s ALA 157 CO 0.01 -0.60 1.78 -2.30 0.00 0.00 0.00 175.76 174.66 3dtd n PRO 158 N -0.16 2.14 0.00 0.00 -0.02 -1.26 -0.88 135.00 134.81 3dtd n PRO 158 Ca -0.14 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3dtd n PRO 158 Cb 0.63 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 4.08 3.46 3.42 -1.23 0.00 -1.26 -4.68 105.19 108.97 3dtd n GLY 159 Ca 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.89 -1.45 -2.50 1.61 1.02 -0.06 -4.98 120.64 112.39 3dtd n GLU 160 Ca 0.00 0.97 -0.34 0.00 -0.02 0.00 0.00 57.16 57.76 3dtd n GLU 160 Cb 0.00 -4.55 -0.03 0.00 -0.02 0.00 0.00 31.44 26.84 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 -4.43 3.75 0.46 3.49 0.02 -1.25 -4.68 135.00 132.36 3dtd s PRO 161 Ca 0.19 1.41 -0.20 0.00 0.02 0.00 0.00 61.00 62.42 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 0.81 -0.48 0.99 -1.25 -0.33 0.00 0.00 177.00 176.74 3dtd s PRO 162 N -3.19 4.01 -0.29 5.54 0.04 -1.26 -0.50 135.00 139.34 3dtd s PRO 162 Ca 0.68 1.21 0.01 0.00 0.04 0.00 0.00 61.00 62.93 3dtd s PRO 162 Cb -0.18 -2.14 0.06 0.00 0.04 0.00 0.00 34.50 32.29 3dtd s PRO 162 CO 0.21 -0.23 -0.03 -1.17 0.04 0.00 0.00 177.00 175.82 3dtd s LEU 163 N -3.41 3.88 0.00 -3.56 2.96 0.13 -4.82 118.68 113.86 3dtd s LEU 163 Ca 0.64 -1.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.07 3dtd s LEU 163 Cb -0.12 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 44.93 3dtd s LEU 163 CO 0.18 -0.26 0.28 0.59 -1.32 0.00 0.00 176.35 175.82 3dtd n ASN 164 N 4.49 0.55 -0.57 3.68 3.02 -1.26 -1.52 115.26 123.65 3dtd n ASN 164 Ca -0.11 -0.79 0.11 0.00 -0.03 0.00 0.00 54.58 53.76 3dtd n ASN 164 Cb 0.42 0.33 0.39 0.00 -0.61 0.00 0.00 39.78 40.32 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 -0.33 1.72 -4.86 6.41 3.85 -1.26 -4.68 116.55 117.40 3dtd n ASP 165 Ca 0.00 -1.68 -0.33 0.00 -0.71 0.00 0.00 54.79 52.07 3dtd n ASP 165 Cb 0.02 -0.09 -0.05 0.00 -1.35 0.00 0.00 41.12 39.64 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 0.20 -2.12 1.02 -1.26 -5.02 118.68 114.07 3dtd s LEU 166 Ca 0.34 0.97 -0.20 0.00 0.02 0.00 0.00 54.13 55.26 3dtd s LEU 166 Cb 0.18 -3.53 0.04 0.00 0.02 0.00 0.00 46.19 42.91 3dtd s LEU 166 CO 0.28 -0.01 0.57 0.72 0.02 0.00 0.00 176.35 177.93 3dtd s PHE 167 N -1.69 -0.25 -0.13 0.29 -0.12 -1.26 -1.13 117.98 113.69 3dtd s PHE 167 Ca 0.44 -0.07 0.01 0.00 -0.05 0.00 0.00 56.93 57.25 3dtd s PHE 167 Cb -0.12 0.49 -0.01 0.00 -0.63 0.00 0.00 43.02 42.74 3dtd s PHE 167 CO 0.20 -0.94 -0.16 0.08 -0.05 0.00 0.00 175.22 174.35 3dtd s VAL 168 N -3.84 2.71 0.10 -2.49 1.01 -0.14 -4.91 120.40 112.83 3dtd s VAL 168 Ca 0.07 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 3dtd s VAL 168 Cb -0.02 -2.11 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 3dtd s VAL 168 CO -0.04 0.53 1.07 -1.10 0.00 0.00 0.00 175.10 175.56 3dtd s GLN 169 N 0.45 4.57 0.00 2.72 -0.21 -1.26 -0.37 119.66 125.56 3dtd s GLN 169 Ca -0.12 1.62 0.20 0.00 0.02 0.00 0.00 55.36 57.08 3dtd s GLN 169 Cb -0.16 -3.35 0.43 0.00 1.00 0.00 0.00 33.01 30.93 3dtd s GLN 169 CO 0.05 -0.00 1.37 1.28 -2.12 0.00 0.00 175.29 175.87 3dtd n LEU 170 N 3.13 3.39 -4.61 2.90 4.77 0.28 -4.92 117.00 121.95 3dtd n LEU 170 Ca 0.05 -1.67 -0.43 0.00 -0.03 0.00 0.00 56.01 53.93 3dtd n LEU 170 Cb 0.48 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3dtd n LEU 170 CO 0.53 0.78 1.72 0.21 -1.33 0.00 0.00 177.39 179.30 3dtd s ASN 171 N -1.24 5.73 0.00 -1.43 3.84 -1.26 -1.75 114.94 118.82 3dtd s ASN 171 Ca 0.37 1.83 0.00 0.00 0.21 0.00 0.00 52.86 55.27 3dtd s ASN 171 Cb 0.21 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.39 3dtd s ASN 171 CO 0.28 -1.75 0.00 0.61 -2.79 0.00 0.00 177.10 173.45 3dtd n GLY 172 N 5.47 0.43 0.15 1.21 0.00 -1.26 -0.77 105.19 110.41 3dtd n GLY 172 Ca 0.26 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.24 -0.30 1.61 3.57 -1.58 -0.73 116.94 119.27 3dtd h PHE 173 Ca 0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 3dtd h PHE 173 Cb 0.00 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 3dtd h PHE 173 CO 0.00 -0.15 0.17 1.03 -2.23 0.00 0.00 178.31 177.13 3dtd h SER 174 N -0.11 0.37 -0.39 0.41 0.87 -1.83 0.41 113.55 113.29 3dtd h SER 174 Ca 0.08 -0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.49 3dtd h SER 174 Cb 0.22 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 3dtd h SER 174 CO -0.19 0.34 -0.02 0.78 -0.53 0.00 0.00 176.83 177.21 3dtd h ASN 175 N 0.38 0.75 -0.04 6.23 2.35 -1.91 -0.88 115.58 122.45 3dtd h ASN 175 Ca 0.11 -0.19 -0.14 0.00 -0.55 0.00 0.00 56.30 55.53 3dtd h ASN 175 Cb 0.05 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3dtd h ASN 175 CO -0.02 0.83 -0.42 0.00 -1.65 0.00 0.00 177.43 176.18 3dtd h ALA 176 N 1.25 0.83 -0.39 -0.83 0.00 -0.90 -2.54 119.26 116.69 3dtd h ALA 176 Ca 0.14 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 3dtd h ALA 176 Cb 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3dtd h ALA 176 CO 0.02 0.65 -0.37 1.25 0.00 0.00 0.00 179.25 180.80 3dtd h LEU 177 N 0.47 0.98 -0.99 0.00 5.85 -0.69 -1.89 115.31 119.03 3dtd h LEU 177 Ca 0.04 -0.44 0.09 0.00 0.84 0.00 0.00 57.88 58.41 3dtd h LEU 177 Cb 0.92 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 41.60 3dtd h LEU 177 CO 0.08 1.23 0.63 0.78 -0.34 0.00 0.00 178.44 180.82 3dtd h ASN 178 N 0.75 0.96 -0.44 1.25 2.35 -1.13 -0.73 115.58 118.60 3dtd h ASN 178 Ca 0.07 0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.72 3dtd h ASN 178 Cb 0.96 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 3dtd h ASN 178 CO 0.09 0.57 -0.19 -0.09 -1.65 0.00 0.00 177.43 176.16 3dtd h ARG 179 N 1.07 0.93 -0.86 0.81 9.65 -1.28 -1.05 114.38 123.66 3dtd h ARG 179 Ca 0.46 -0.38 -0.01 0.00 -1.10 0.00 0.00 59.98 58.95 3dtd h ARG 179 Cb 0.33 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.82 3dtd h ARG 179 CO -0.22 1.04 0.48 -0.07 2.80 0.00 0.00 179.97 184.00 3dtd h LEU 180 N 0.82 1.06 -0.40 3.80 4.07 -0.80 0.39 115.31 124.23 3dtd h LEU 180 Ca 0.11 -0.08 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 3dtd h LEU 180 Cb 0.74 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 3dtd h LEU 180 CO 0.06 0.84 0.15 0.40 -1.08 0.00 0.00 178.44 178.81 3dtd h ILE 181 N 1.19 1.20 -0.26 1.22 2.04 -0.97 -2.63 117.51 119.31 3dtd h ILE 181 Ca 0.30 -0.64 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 3dtd h ILE 181 Cb 0.01 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3dtd h ILE 181 CO -0.05 0.23 -0.11 0.00 0.00 0.00 0.00 178.15 178.22 3dtd h ALA 182 N 1.00 1.34 0.00 1.87 0.00 -0.85 -2.67 119.26 119.94 3dtd h ALA 182 Ca 0.13 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3dtd h ALA 182 Cb 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3dtd h ALA 182 CO -0.01 0.45 -0.25 -0.07 0.00 0.00 0.00 179.25 179.37 3dtd h LEU 183 N 0.40 0.00 -0.46 0.00 3.38 -0.84 -2.95 115.31 114.83 3dtd h LEU 183 Ca 0.08 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 3dtd h LEU 183 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3dtd h LEU 183 CO 0.02 0.25 -0.43 1.56 0.09 0.00 0.00 178.44 179.94 3dtd h GLN 184 N 0.00 0.80 0.00 1.13 4.20 -1.11 -3.18 115.11 116.94 3dtd h GLN 184 Ca -0.00 -0.44 -0.11 0.00 0.06 0.00 0.00 58.65 58.16 3dtd h GLN 184 Cb 0.94 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 3dtd h GLN 184 CO 0.03 1.07 -0.52 0.87 -0.67 0.00 0.00 178.83 179.61 3dtd h LYS 185 N 0.65 0.00 0.00 1.46 1.57 -1.48 -3.52 116.57 115.24 3dtd h LYS 185 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3dtd h LYS 185 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 3dtd h LYS 185 CO 0.10 0.52 0.00 0.39 -0.57 0.00 0.00 179.45 179.89