#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m5z n PRO 17 N 0.00 0.52 -3.63 1.43 -0.02 -1.26 -4.74 135.00 127.29 1m5z n PRO 17 Ca 0.00 0.03 -0.15 0.00 -2.02 0.00 0.00 63.50 61.37 1m5z n PRO 17 Cb 0.00 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 31.90 1m5z n PRO 17 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1m5z s THR 18 N -2.19 0.01 1.02 3.45 2.01 -1.26 -5.13 115.64 113.55 1m5z s THR 18 Ca 0.27 -0.05 -0.25 0.00 0.31 0.00 0.00 61.69 61.97 1m5z s THR 18 Cb 0.14 -0.87 -0.14 0.00 0.01 0.00 0.00 72.50 71.64 1m5z s THR 18 CO 0.26 -0.03 -1.19 -0.81 -0.69 0.00 0.00 174.62 172.16 1m5z n PRO 19 N 2.07 -0.29 -1.52 4.92 -0.04 -1.26 -4.24 135.00 134.64 1m5z n PRO 19 Ca -0.16 -0.08 -0.42 0.00 -0.04 0.00 0.00 63.50 62.80 1m5z n PRO 19 Cb 0.56 -1.14 0.01 0.00 -0.04 0.00 0.00 33.50 32.89 1m5z n PRO 19 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1m5z n VAL 20 N -3.58 2.11 -4.08 0.52 0.24 -1.26 -4.60 118.33 107.68 1m5z n VAL 20 Ca -0.01 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.34 61.44 1m5z n VAL 20 Cb 0.71 -0.80 -0.14 0.00 -1.47 0.00 0.00 33.84 32.15 1m5z n VAL 20 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1m5z s GLU 21 N -1.76 3.39 0.43 7.34 2.12 -0.68 -4.79 118.70 124.74 1m5z s GLU 21 Ca 0.63 -0.63 -0.26 0.00 0.36 0.00 0.00 54.97 55.07 1m5z s GLU 21 Cb -0.60 -2.93 -0.09 0.00 0.26 0.00 0.00 34.13 30.77 1m5z s GLU 21 CO 0.57 -0.11 1.44 -0.51 -0.54 0.00 0.00 175.26 176.12 1m5z s LEU 22 N 1.22 4.18 -0.21 2.70 1.43 -1.26 -1.61 118.68 125.13 1m5z s LEU 22 Ca 0.03 2.95 -0.08 0.00 -1.03 0.00 0.00 54.13 56.00 1m5z s LEU 22 Cb -0.14 -3.85 0.09 0.00 0.03 0.00 0.00 46.19 42.32 1m5z s LEU 22 CO -0.02 -1.07 0.45 -2.28 0.23 0.00 0.00 176.35 173.66 1m5z s HIS 23 N -1.18 -0.86 -0.00 0.29 5.65 0.16 -4.92 115.29 114.42 1m5z s HIS 23 Ca 0.58 1.62 -0.30 0.00 0.25 0.00 0.00 55.06 57.21 1m5z s HIS 23 Cb -0.44 0.37 -0.06 0.00 -1.18 0.00 0.00 32.58 31.27 1m5z s HIS 23 CO 0.58 -0.50 1.45 0.21 -0.65 0.00 0.00 174.74 175.83 1m5z s LYS 24 N 2.54 4.26 -0.01 2.88 2.47 -1.26 -2.04 119.74 128.58 1m5z s LYS 24 Ca -0.03 2.01 0.05 0.00 -1.56 0.00 0.00 55.97 56.45 1m5z s LYS 24 Cb -0.12 -3.62 -0.01 0.00 -1.46 0.00 0.00 37.83 32.62 1m5z s LYS 24 CO -0.14 -0.63 -0.18 0.08 0.16 0.00 0.00 175.35 174.65 1m5z s VAL 25 N 2.63 1.39 -0.11 4.02 1.01 0.15 -4.98 120.40 124.52 1m5z s VAL 25 Ca 0.65 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 1m5z s VAL 25 Cb -0.32 -1.16 0.04 0.00 0.00 0.00 0.00 36.38 34.94 1m5z s VAL 25 CO 0.27 0.39 -0.00 -0.89 0.00 0.00 0.00 175.10 174.87 1m5z s THR 26 N -0.41 0.52 0.38 3.92 2.01 -1.26 -0.76 115.64 120.04 1m5z s THR 26 Ca 0.07 -0.11 0.08 0.00 0.31 0.00 0.00 61.69 62.03 1m5z s THR 26 Cb -0.07 -0.74 -0.06 0.00 0.01 0.00 0.00 72.50 71.64 1m5z s THR 26 CO -0.01 0.16 0.07 -0.76 -0.69 0.00 0.00 174.62 173.40 1m5z s LEU 27 N 1.90 3.01 -0.07 4.42 1.02 0.37 -4.60 118.68 124.74 1m5z s LEU 27 Ca 0.03 -1.09 -0.01 0.00 0.02 0.00 0.00 54.13 53.08 1m5z s LEU 27 Cb -0.13 -1.30 0.03 0.00 0.02 0.00 0.00 46.19 44.81 1m5z s LEU 27 CO -0.06 -0.39 -0.01 -0.31 0.02 0.00 0.00 176.35 175.60 1m5z s TYR 28 N -2.58 0.68 0.40 0.29 1.51 -1.26 0.06 117.35 116.44 1m5z s TYR 28 Ca 0.37 -0.17 0.02 0.00 -1.01 0.00 0.00 57.07 56.27 1m5z s TYR 28 Cb 0.03 -0.77 -0.01 0.00 -0.11 0.00 0.00 41.96 41.10 1m5z s TYR 28 CO 0.20 -0.30 0.60 0.21 -1.11 0.00 0.00 175.55 175.15 1m5z s LYS 29 N 1.76 3.16 -0.00 -0.62 2.36 -0.57 -4.49 119.74 121.34 1m5z s LYS 29 Ca 0.02 -0.58 0.01 0.00 -2.55 0.00 0.00 55.97 52.87 1m5z s LYS 29 Cb -0.13 -2.64 -0.00 0.00 -1.05 0.00 0.00 37.83 34.01 1m5z s LYS 29 CO -0.04 -0.10 -0.04 0.34 1.55 0.00 0.00 175.35 177.06 1m5z s ASP 30 N -4.17 0.46 -0.92 1.43 -1.08 -1.26 -4.53 116.67 106.60 1m5z s ASP 30 Ca 0.46 -0.07 -0.26 0.00 -0.52 0.00 0.00 52.55 52.16 1m5z s ASP 30 Cb -0.10 -0.06 -0.19 0.00 -1.46 0.00 0.00 42.92 41.11 1m5z s ASP 30 CO 0.36 0.04 2.25 -0.24 0.52 0.00 0.00 175.17 178.10 1m5z n SER 31 N 3.04 1.46 0.00 -0.34 2.88 -1.26 -1.88 113.62 117.52 1m5z n SER 31 Ca -0.13 -1.93 0.00 0.00 -1.33 0.00 0.00 58.87 55.48 1m5z n SER 31 Cb 0.58 -1.66 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 1m5z n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1m5z n GLY 32 N 6.45 0.15 3.85 0.46 0.00 -1.26 -5.15 105.19 109.68 1m5z n GLY 32 Ca 0.44 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.14 1m5z n GLY 32 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1m5z s MET 33 N 0.00 3.80 0.01 1.61 -1.94 -0.79 -4.97 119.30 117.02 1m5z s MET 33 Ca 0.00 0.88 0.26 0.00 -1.71 0.00 0.00 55.69 55.11 1m5z s MET 33 Cb 0.00 -2.11 0.64 0.00 2.01 0.00 0.00 34.83 35.37 1m5z s MET 33 CO 0.00 -0.40 1.51 0.39 -0.01 0.00 0.00 175.02 176.51 1m5z n GLU 34 N -2.06 0.03 -1.83 2.03 1.02 -1.26 -4.96 120.64 113.60 1m5z n GLU 34 Ca 0.06 0.01 -0.03 0.00 -0.02 0.00 0.00 57.16 57.19 1m5z n GLU 34 Cb 0.54 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 1m5z n GLU 34 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1m5z n ASP 35 N -1.57 -0.44 -2.13 1.62 -0.08 -1.26 -5.04 116.55 107.65 1m5z n ASP 35 Ca 0.06 -1.39 -0.24 0.00 -1.51 0.00 0.00 54.79 51.71 1m5z n ASP 35 Cb 0.35 0.76 0.14 0.00 2.34 0.00 0.00 41.12 44.71 1m5z n ASP 35 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1m5z n PHE 36 N -0.13 2.78 -0.07 -0.67 -0.00 -1.26 -4.80 117.46 113.31 1m5z n PHE 36 Ca -0.01 -1.95 0.00 0.00 -0.00 0.00 0.00 57.45 55.49 1m5z n PHE 36 Cb 0.14 -0.98 0.00 0.00 -0.00 0.00 0.00 39.48 38.64 1m5z n PHE 36 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1m5z n GLY 37 N -0.91 0.52 3.60 7.13 0.00 -1.26 -3.99 105.19 110.27 1m5z n GLY 37 Ca 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.48 1m5z n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1m5z s PHE 38 N -2.23 -0.29 -0.15 1.61 -0.71 -1.25 -1.75 117.98 113.22 1m5z s PHE 38 Ca 0.00 0.51 -0.06 0.00 -1.04 0.00 0.00 56.93 56.34 1m5z s PHE 38 Cb 0.00 0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 42.23 1m5z s PHE 38 CO 0.00 -0.26 0.05 -1.12 -1.34 0.00 0.00 175.22 172.55 1m5z s SER 39 N -1.03 5.56 0.56 1.98 0.01 0.20 -4.94 113.70 116.04 1m5z s SER 39 Ca 0.01 0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.42 1m5z s SER 39 Cb -0.01 -1.84 0.04 0.00 0.21 0.00 0.00 66.02 64.43 1m5z s SER 39 CO -0.01 0.26 0.79 0.68 0.41 0.00 0.00 173.24 175.36 1m5z s VAL 40 N -0.14 2.62 0.09 3.43 -7.23 -1.26 -0.09 120.40 117.82 1m5z s VAL 40 Ca 0.07 -0.67 -0.01 0.00 -1.81 0.00 0.00 61.98 59.56 1m5z s VAL 40 Cb -0.12 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.83 1m5z s VAL 40 CO 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.81 1m5z s ALA 41 N -2.78 0.73 -0.03 1.32 0.00 0.33 -4.77 121.76 116.56 1m5z s ALA 41 Ca 0.58 -1.34 -0.27 0.00 0.00 0.00 0.00 51.96 50.93 1m5z s ALA 41 Cb -0.10 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 1m5z s ALA 41 CO 0.39 -0.40 0.84 0.16 0.00 0.00 0.00 175.76 176.75 1m5z s ASP 42 N -2.99 7.19 -0.42 0.00 1.47 -1.26 -1.67 116.67 118.99 1m5z s ASP 42 Ca 0.15 1.44 -0.12 0.00 1.18 0.00 0.00 52.55 55.19 1m5z s ASP 42 Cb 0.07 -2.49 0.05 0.00 -0.34 0.00 0.00 42.92 40.21 1m5z s ASP 42 CO -0.04 -0.18 0.28 -0.83 0.68 0.00 0.00 175.17 175.08 1m5z s GLY 43 N 0.84 1.98 -0.05 2.12 0.00 0.31 -4.90 107.32 107.63 1m5z s GLY 43 Ca 0.45 -1.93 0.17 0.00 0.00 0.00 0.00 44.72 43.41 1m5z s GLY 43 CO 0.23 0.94 0.52 1.04 0.00 0.00 0.00 173.10 175.83 1m5z n LEU 44 N 5.05 0.47 -0.08 0.66 4.32 -1.26 -1.74 117.00 124.41 1m5z n LEU 44 Ca -0.11 0.21 0.14 0.00 -0.02 0.00 0.00 56.01 56.22 1m5z n LEU 44 Cb 0.45 0.21 0.57 0.00 -1.62 0.00 0.00 43.42 43.03 1m5z n LEU 44 CO 0.40 0.26 0.84 -0.11 -1.22 0.00 0.00 177.39 177.56 1m5z n LEU 45 N -2.77 0.40 -1.17 2.23 7.94 -1.26 -4.05 117.00 118.33 1m5z n LEU 45 Ca -0.17 0.08 -0.03 0.00 -1.11 0.00 0.00 56.01 54.78 1m5z n LEU 45 Cb 0.92 -0.24 -0.04 0.00 0.53 0.00 0.00 43.42 44.60 1m5z n LEU 45 CO 0.44 0.08 0.24 -0.62 -1.11 0.00 0.00 177.39 176.42 1m5z n GLU 46 N -1.10 0.00 -1.40 1.96 1.02 -1.26 -5.09 120.64 114.78 1m5z n GLU 46 Ca 0.12 -1.34 0.00 0.00 -0.02 0.00 0.00 57.16 55.92 1m5z n GLU 46 Cb 0.29 0.31 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 1m5z n GLU 46 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1m5z n LYS 47 N 0.18 -0.13 0.00 3.49 4.76 -0.87 -4.92 118.16 120.67 1m5z n LYS 47 Ca -0.15 0.29 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1m5z n LYS 47 Cb 0.86 -0.33 0.00 0.00 -1.84 0.00 0.00 35.03 33.72 1m5z n LYS 47 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1m5z n GLY 48 N 0.87 3.26 3.75 0.72 0.00 -0.71 -4.48 105.19 108.58 1m5z n GLY 48 Ca 0.00 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 1m5z n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m5z s VAL 49 N -2.00 5.21 0.36 1.61 1.01 -1.21 0.11 120.40 125.49 1m5z s VAL 49 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.11 1m5z s VAL 49 Cb 0.00 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 1m5z s VAL 49 CO 0.00 0.51 0.06 -1.22 0.00 0.00 0.00 175.10 174.45 1m5z n TYR 50 N 3.00 0.50 -2.78 5.22 4.01 -0.67 -2.64 117.16 123.80 1m5z n TYR 50 Ca -0.17 -2.00 -0.26 0.00 -0.16 0.00 0.00 57.90 55.31 1m5z n TYR 50 Cb 0.53 -0.13 0.01 0.00 -0.31 0.00 0.00 39.34 39.44 1m5z n TYR 50 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1m5z s VAL 51 N -2.59 4.43 0.00 -0.72 1.01 -1.22 0.12 120.40 121.43 1m5z s VAL 51 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1m5z s VAL 51 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1m5z s VAL 51 CO 0.06 -0.59 0.00 1.17 0.00 0.00 0.00 175.10 175.74 1m5z n LYS 52 N -2.22 0.00 -4.98 2.72 3.00 0.87 -2.62 118.16 114.93 1m5z n LYS 52 Ca 0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.03 1m5z n LYS 52 Cb 0.56 -0.30 -0.17 0.00 0.00 0.00 0.00 35.03 35.13 1m5z n LYS 52 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1m5z s ASN 53 N -2.88 2.57 -0.09 3.14 0.01 -1.00 -4.64 114.94 112.05 1m5z s ASN 53 Ca 0.00 -0.45 -0.02 0.00 -0.71 0.00 0.00 52.86 51.68 1m5z s ASN 53 Cb 0.00 -1.14 0.04 0.00 0.41 0.00 0.00 41.25 40.56 1m5z s ASN 53 CO 0.00 0.12 0.02 -0.63 -1.51 0.00 0.00 177.10 175.10 1m5z s ILE 54 N 0.42 0.28 -0.30 0.60 1.01 -1.26 0.62 121.20 122.57 1m5z s ILE 54 Ca -0.16 0.05 -0.28 0.00 0.00 0.00 0.00 60.65 60.26 1m5z s ILE 54 Cb -0.17 -0.54 -0.02 0.00 0.01 0.00 0.00 42.46 41.74 1m5z s ILE 54 CO 0.07 0.14 1.83 -0.13 0.00 0.00 0.00 174.94 176.84 1m5z s ARG 55 N 2.00 3.37 -0.33 2.79 3.00 -0.71 -4.86 118.95 124.21 1m5z s ARG 55 Ca 0.04 1.54 -0.03 0.00 0.00 0.00 0.00 55.73 57.28 1m5z s ARG 55 Cb -0.13 -4.20 -0.07 0.00 0.00 0.00 0.00 34.95 30.55 1m5z s ARG 55 CO -0.06 -1.81 1.78 -2.30 0.00 0.00 0.00 175.30 172.92 1m5z n PRO 56 N 8.38 1.16 0.00 3.54 -0.02 -1.26 -2.67 135.00 144.13 1m5z n PRO 56 Ca 0.23 -0.80 0.00 0.00 -2.02 0.00 0.00 63.50 60.91 1m5z n PRO 56 Cb 0.46 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1m5z n PRO 56 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1m5z n ALA 57 N 3.62 0.00 -1.00 3.55 0.00 -1.26 -4.93 120.51 120.49 1m5z n ALA 57 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1m5z n ALA 57 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1m5z n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m5z n GLY 58 N -0.93 -1.17 0.30 0.00 0.00 -1.09 -4.49 105.19 97.80 1m5z n GLY 58 Ca 0.00 -1.31 0.01 0.00 0.00 0.00 0.00 46.02 44.72 1m5z n GLY 58 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1m5z h PRO 59 N 0.00 0.66 -0.18 1.61 0.11 -1.82 -1.43 132.00 130.94 1m5z h PRO 59 Ca 0.00 -0.09 0.04 0.00 0.11 0.00 0.00 66.00 66.05 1m5z h PRO 59 Cb 0.00 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 30.96 1m5z h PRO 59 CO 0.00 0.55 -0.04 0.78 -0.21 0.00 0.00 178.00 179.08 1m5z h GLY 60 N 0.80 0.14 1.49 -0.55 0.00 -1.68 0.41 103.07 103.68 1m5z h GLY 60 Ca 0.16 0.05 -0.20 0.00 0.00 0.00 0.00 47.33 47.35 1m5z h GLY 60 CO -0.02 -0.06 -0.76 -1.80 0.00 0.00 0.00 176.54 173.90 1m5z h ASP 61 N 0.01 0.59 0.04 0.19 3.58 -1.36 -2.35 116.42 117.11 1m5z h ASP 61 Ca 0.09 -0.39 -0.01 0.00 0.42 0.00 0.00 57.03 57.13 1m5z h ASP 61 Cb 0.13 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.00 1m5z h ASP 61 CO -0.18 1.15 -0.04 -0.07 -2.88 0.00 0.00 179.24 177.22 1m5z h LEU 62 N 0.33 0.00 0.00 2.28 3.38 -0.88 -3.09 115.31 117.33 1m5z h LEU 62 Ca -0.04 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1m5z h LEU 62 Cb 1.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1m5z h LEU 62 CO 0.14 0.04 -0.57 1.23 0.09 0.00 0.00 178.44 179.36 1m5z h GLY 63 N 0.13 0.00 0.00 0.83 0.00 -0.82 -3.50 103.07 99.71 1m5z h GLY 63 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1m5z h GLY 63 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 1m5z n GLY 64 N 1.55 0.80 3.85 4.60 0.00 -0.90 -4.87 105.19 110.22 1m5z n GLY 64 Ca -0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 1m5z n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1m5z s LEU 65 N 0.00 3.57 0.14 0.99 1.02 -1.21 -5.09 118.68 118.08 1m5z s LEU 65 Ca 0.00 -0.53 0.04 0.00 0.02 0.00 0.00 54.13 53.66 1m5z s LEU 65 Cb 0.00 -2.18 -0.04 0.00 0.02 0.00 0.00 46.19 43.98 1m5z s LEU 65 CO 0.00 -0.39 -0.10 -0.54 0.02 0.00 0.00 176.35 175.34 1m5z s LYS 66 N -4.01 1.02 -0.43 1.70 1.02 -1.26 -4.92 119.74 112.86 1m5z s LYS 66 Ca 0.42 -1.41 -0.13 0.00 0.02 0.00 0.00 55.97 54.86 1m5z s LYS 66 Cb -0.05 -0.57 -0.13 0.00 -0.52 0.00 0.00 37.83 36.55 1m5z s LYS 66 CO 0.27 0.07 1.64 -0.35 -0.92 0.00 0.00 175.35 176.06 1m5z n PRO 67 N -0.11 0.92 0.00 -1.68 -0.04 -1.26 -2.03 135.00 130.80 1m5z n PRO 67 Ca -0.11 -1.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 1m5z n PRO 67 Cb 0.60 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 1m5z n PRO 67 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1m5z n TYR 68 N 6.20 0.00 -1.53 0.54 4.01 -1.08 -4.62 117.16 120.68 1m5z n TYR 68 Ca 0.34 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.77 1m5z n TYR 68 Cb 0.22 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.14 1m5z n TYR 68 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1m5z n ASP 69 N -0.15 0.91 -4.57 7.72 5.68 -0.86 -4.37 116.55 120.91 1m5z n ASP 69 Ca 0.00 -0.50 -0.41 0.00 -0.50 0.00 0.00 54.79 53.38 1m5z n ASP 69 Cb 0.00 -1.21 -0.03 0.00 -1.14 0.00 0.00 41.12 38.75 1m5z n ASP 69 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1m5z s ARG 70 N 8.40 3.15 -0.35 0.11 3.52 -0.86 -3.43 118.95 129.49 1m5z s ARG 70 Ca 1.15 0.54 -0.32 0.00 -0.13 0.00 0.00 55.73 56.98 1m5z s ARG 70 Cb -0.62 -4.19 -0.09 0.00 -1.56 0.00 0.00 34.95 28.49 1m5z s ARG 70 CO 0.35 -2.11 2.25 1.28 -0.81 0.00 0.00 175.30 176.26 1m5z n LEU 71 N 10.32 2.43 -0.02 -0.88 4.77 -1.08 -1.59 117.00 130.95 1m5z n LEU 71 Ca 0.15 0.22 -0.01 0.00 -0.03 0.00 0.00 56.01 56.34 1m5z n LEU 71 Cb 0.50 -1.38 -0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1m5z n LEU 71 CO 0.71 -0.82 -0.04 -0.07 -1.33 0.00 0.00 177.39 175.84 1m5z h LEU 72 N 14.10 0.00 -8.22 2.23 3.38 -1.30 -3.29 115.31 122.21 1m5z h LEU 72 Ca -0.30 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.07 1m5z h LEU 72 Cb 1.29 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.71 1m5z h LEU 72 CO 1.03 0.23 -0.85 0.00 0.09 0.00 0.00 178.44 178.94 1m5z s GLN 73 N -1.30 2.22 -0.45 1.13 1.03 -0.98 0.10 119.66 121.43 1m5z s GLN 73 Ca -0.02 -0.67 -0.11 0.00 0.04 0.00 0.00 55.36 54.60 1m5z s GLN 73 Cb 0.00 -1.80 0.09 0.00 0.03 0.00 0.00 33.01 31.33 1m5z s GLN 73 CO 0.02 0.18 0.32 0.08 -2.54 0.00 0.00 175.29 173.36 1m5z s VAL 74 N 0.29 4.54 0.00 3.63 1.01 -0.45 -0.08 120.40 129.34 1m5z s VAL 74 Ca -0.11 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.48 1m5z s VAL 74 Cb -0.15 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1m5z s VAL 74 CO 0.05 -0.59 0.00 -3.20 0.00 0.00 0.00 175.10 171.36 1m5z n ASN 75 N 5.01 0.00 0.00 3.32 2.85 0.27 -2.15 115.26 124.56 1m5z n ASN 75 Ca -0.11 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.36 1m5z n ASN 75 Cb 0.43 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.45 1m5z n ASN 75 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 1m5z n HIS 76 N 0.00 0.00 -3.07 1.20 -0.00 -1.26 -4.99 115.22 107.09 1m5z n HIS 76 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.34 1m5z n HIS 76 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 1m5z n HIS 76 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1m5z s VAL 77 N 0.00 4.50 0.07 3.57 1.01 -0.91 -5.02 120.40 123.60 1m5z s VAL 77 Ca 0.00 1.50 -0.31 0.00 0.00 0.00 0.00 61.98 63.17 1m5z s VAL 77 Cb 0.00 -4.02 -0.07 0.00 0.00 0.00 0.00 36.38 32.29 1m5z s VAL 77 CO 0.00 0.46 1.38 -0.13 0.00 0.00 0.00 175.10 176.80 1m5z s ARG 78 N -1.33 4.32 0.00 2.72 1.81 -1.26 -1.33 118.95 123.87 1m5z s ARG 78 Ca 0.36 2.00 0.13 0.00 -1.72 0.00 0.00 55.73 56.50 1m5z s ARG 78 Cb -0.21 -3.39 0.21 0.00 -0.45 0.00 0.00 34.95 31.11 1m5z s ARG 78 CO 0.23 -0.47 1.04 0.25 -0.68 0.00 0.00 175.30 175.68 1m5z n THR 79 N 4.22 0.00 0.02 0.02 -2.24 0.29 -4.88 114.28 111.71 1m5z n THR 79 Ca 0.12 -0.48 -0.12 0.00 -2.27 0.00 0.00 64.05 61.30 1m5z n THR 79 Cb 0.43 0.70 -0.09 0.00 -2.10 0.00 0.00 70.33 69.28 1m5z n THR 79 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1m5z h ARG 80 N 0.48 -0.12 -0.87 -0.78 3.08 -0.37 -3.26 114.38 112.55 1m5z h ARG 80 Ca -0.17 0.01 -0.19 0.00 0.07 0.00 0.00 59.98 59.69 1m5z h ARG 80 Cb 1.61 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 31.58 1m5z h ARG 80 CO 0.02 0.40 0.24 -3.47 -1.07 0.00 0.00 179.97 176.09 1m5z n ASP 81 N -4.86 3.88 -4.90 7.04 2.03 -1.26 -4.01 116.55 114.47 1m5z n ASP 81 Ca -0.08 -2.89 -0.29 0.00 0.52 0.00 0.00 54.79 52.05 1m5z n ASP 81 Cb 0.29 -0.69 0.06 0.00 -0.72 0.00 0.00 41.12 40.06 1m5z n ASP 81 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1m5z s PHE 82 N -2.25 3.18 0.27 -0.67 0.40 -1.23 -4.78 117.98 112.91 1m5z s PHE 82 Ca 0.39 0.85 0.07 0.00 -0.60 0.00 0.00 56.93 57.64 1m5z s PHE 82 Cb 0.31 -3.13 -0.03 0.00 0.51 0.00 0.00 43.02 40.68 1m5z s PHE 82 CO 0.09 -1.28 0.22 0.34 0.70 0.00 0.00 175.22 175.28 1m5z s ASP 83 N -4.42 5.45 0.27 1.36 2.15 -1.26 -3.30 116.67 116.93 1m5z s ASP 83 Ca 0.59 -0.31 0.00 0.00 0.43 0.00 0.00 52.55 53.26 1m5z s ASP 83 Cb -0.11 -1.30 0.58 0.00 -0.30 0.00 0.00 42.92 41.79 1m5z s ASP 83 CO 0.49 -0.11 1.76 0.00 -0.17 0.00 0.00 175.17 177.14 1m5z n LEU 86 N -3.46 1.24 0.09 0.00 4.32 0.17 -4.12 117.00 115.23 1m5z n LEU 86 Ca -0.02 0.24 -0.15 0.00 -0.02 0.00 0.00 56.01 56.06 1m5z n LEU 86 Cb 0.15 -0.12 -0.09 0.00 -1.62 0.00 0.00 43.42 41.74 1m5z n LEU 86 CO 0.26 0.55 0.07 0.58 -1.22 0.00 0.00 177.39 177.63 1m5z h VAL 87 N 0.02 1.42 -0.08 4.08 2.07 -0.05 -2.61 116.25 121.09 1m5z h VAL 87 Ca -0.39 -2.67 0.04 0.00 0.82 0.00 0.00 66.70 64.50 1m5z h VAL 87 Cb 2.06 2.65 -0.04 0.00 -1.52 0.00 0.00 31.29 34.43 1m5z h VAL 87 CO 0.06 0.79 -0.17 0.58 0.02 0.00 0.00 177.57 178.84 1m5z h VAL 88 N 0.18 0.56 -0.19 2.57 2.07 -0.57 0.12 116.25 121.00 1m5z h VAL 88 Ca -0.11 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 1m5z h VAL 88 Cb 1.76 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1m5z h VAL 88 CO 0.19 0.00 -0.11 1.55 0.02 0.00 0.00 177.57 179.22 1m5z h PRO 89 N -0.24 0.40 -0.57 1.57 0.13 -1.72 -2.19 132.00 129.38 1m5z h PRO 89 Ca 0.08 -0.18 0.13 0.00 -0.87 0.00 0.00 66.00 65.15 1m5z h PRO 89 Cb 0.36 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.45 1m5z h PRO 89 CO -0.23 0.71 0.39 -0.07 -0.23 0.00 0.00 178.00 178.58 1m5z h LEU 90 N 0.08 0.20 -0.02 1.56 3.38 -1.26 0.27 115.31 119.51 1m5z h LEU 90 Ca 0.04 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1m5z h LEU 90 Cb 0.60 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.33 1m5z h LEU 90 CO 0.03 0.11 -0.50 0.40 0.09 0.00 0.00 178.44 178.58 1m5z h ILE 91 N 0.22 1.44 0.00 1.22 2.04 -0.60 -3.19 117.51 118.64 1m5z h ILE 91 Ca 0.27 -1.98 0.00 0.00 1.00 0.00 0.00 64.86 64.15 1m5z h ILE 91 Cb 0.76 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 1m5z h ILE 91 CO -0.05 0.57 0.00 0.00 0.00 0.00 0.00 178.15 178.67 1m5z n ALA 92 N -2.56 2.44 0.51 1.87 0.00 -0.54 -3.10 120.51 119.13 1m5z n ALA 92 Ca -0.10 -0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.32 1m5z n ALA 92 Cb 0.61 -1.45 0.23 0.00 0.00 0.00 0.00 19.45 18.84 1m5z n ALA 92 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1m5z h GLU 93 N 0.00 0.00 0.00 0.00 5.08 -0.50 -3.29 114.58 115.87 1m5z h GLU 93 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1m5z h GLU 93 Cb 0.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1m5z h GLU 93 CO 0.00 0.00 -0.13 0.77 -1.00 0.00 0.00 179.01 178.65 1m5z h SER 94 N 0.00 0.00 0.00 1.42 0.02 -1.66 -3.47 113.55 109.87 1m5z h SER 94 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1m5z h SER 94 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1m5z h SER 94 CO 0.00 0.13 0.00 0.61 -1.14 0.00 0.00 176.83 176.43 1m5z n GLY 95 N -0.67 2.04 0.29 -3.77 0.00 -1.24 -3.70 105.19 98.13 1m5z n GLY 95 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1m5z n GLY 95 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1m5z n ASN 96 N 3.62 0.00 -3.22 1.61 0.23 -1.26 -4.72 115.26 111.52 1m5z n ASN 96 Ca 0.00 -0.84 -0.01 0.00 -0.53 0.00 0.00 54.58 53.20 1m5z n ASN 96 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 1m5z n ASN 96 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1m5z s LYS 97 N 0.00 0.49 -0.38 -3.83 1.02 -1.24 -1.51 119.74 114.29 1m5z s LYS 97 Ca 0.00 0.64 -0.08 0.00 0.02 0.00 0.00 55.97 56.55 1m5z s LYS 97 Cb 0.00 0.12 0.06 0.00 -0.52 0.00 0.00 37.83 37.48 1m5z s LYS 97 CO 0.00 -0.81 0.19 -1.17 -0.92 0.00 0.00 175.35 172.65 1m5z s LEU 98 N 2.73 4.79 -0.28 3.17 0.20 0.11 -4.74 118.68 124.65 1m5z s LEU 98 Ca 0.14 -1.29 -0.09 0.00 0.69 0.00 0.00 54.13 53.58 1m5z s LEU 98 Cb -0.13 -1.95 -0.02 0.00 -0.43 0.00 0.00 46.19 43.65 1m5z s LEU 98 CO -0.23 -0.44 0.13 -0.62 -0.29 0.00 0.00 176.35 174.91 1m5z s ASP 99 N 1.75 5.51 0.06 3.68 -1.08 -1.26 -0.48 116.67 124.85 1m5z s ASP 99 Ca 0.01 -0.32 -0.14 0.00 -0.52 0.00 0.00 52.55 51.59 1m5z s ASP 99 Cb -0.21 -2.00 0.02 0.00 -1.46 0.00 0.00 42.92 39.27 1m5z s ASP 99 CO 0.03 -0.11 0.32 -1.48 0.52 0.00 0.00 175.17 174.44 1m5z s LEU 100 N 1.64 0.82 -0.38 -1.34 0.05 0.06 0.94 118.68 120.48 1m5z s LEU 100 Ca 0.06 -0.23 -0.10 0.00 0.05 0.00 0.00 54.13 53.91 1m5z s LEU 100 Cb -0.16 1.43 0.04 0.00 -2.05 0.00 0.00 46.19 45.44 1m5z s LEU 100 CO 0.06 -0.66 0.20 -0.69 -0.55 0.00 0.00 176.35 174.72 1m5z s VAL 101 N -2.82 4.42 0.41 1.48 1.01 0.88 -0.67 120.40 125.11 1m5z s VAL 101 Ca -0.03 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 61.04 1m5z s VAL 101 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1m5z s VAL 101 CO -0.05 -0.28 0.53 0.27 0.00 0.00 0.00 175.10 175.58 1m5z s ILE 102 N 1.51 3.07 -0.27 2.22 -5.25 -0.87 -1.06 121.20 120.55 1m5z s ILE 102 Ca 0.01 -1.05 -0.02 0.00 -0.99 0.00 0.00 60.65 58.60 1m5z s ILE 102 Cb -0.20 -3.04 0.09 0.00 2.95 0.00 0.00 42.46 42.26 1m5z s ILE 102 CO 0.05 -0.02 0.09 -0.55 -1.79 0.00 0.00 174.94 172.73 1m5z s SER 103 N -4.30 3.60 -0.19 4.36 0.15 -0.62 0.37 113.70 117.07 1m5z s SER 103 Ca 0.53 -1.33 -0.03 0.00 0.70 0.00 0.00 55.95 55.82 1m5z s SER 103 Cb -0.09 -0.65 -0.01 0.00 -1.71 0.00 0.00 66.02 63.56 1m5z s SER 103 CO 0.32 -0.39 -0.06 0.00 1.20 0.00 0.00 173.24 174.31 1m5z s ARG 104 N 1.82 3.45 0.46 5.44 1.70 -0.64 -2.04 118.95 129.15 1m5z s ARG 104 Ca 0.07 -0.61 -0.22 0.00 -0.47 0.00 0.00 55.73 54.50 1m5z s ARG 104 Cb -0.17 -2.92 -0.08 0.00 -0.57 0.00 0.00 34.95 31.21 1m5z s ARG 104 CO -0.24 -0.01 1.08 0.54 -1.08 0.00 0.00 175.30 175.59 1m5z s ASN 105 N 1.00 6.33 0.00 -2.89 4.22 -1.26 -1.69 114.94 120.65 1m5z s ASN 105 Ca 0.00 2.08 0.31 0.00 -2.14 0.00 0.00 52.86 53.11 1m5z s ASN 105 Cb -0.15 -2.58 1.64 0.00 1.28 0.00 0.00 41.25 41.44 1m5z s ASN 105 CO 0.00 -0.80 2.08 -0.81 -2.04 0.00 0.00 177.10 175.53