#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 0.00 -1.27 4.33 -0.04 -1.26 -4.85 135.00 131.92 1m5z n PRO 17 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 1m5z n PRO 17 Cb 0.00 -0.80 0.09 0.00 -0.04 0.00 0.00 33.50 32.75 1m5z n PRO 17 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1m5z n THR 18 N -0.49 2.28 0.00 0.52 -1.04 -1.26 -5.01 114.28 109.28 1m5z n THR 18 Ca 0.00 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 1m5z n THR 18 Cb 0.00 -1.00 0.00 0.00 -1.82 0.00 0.00 70.33 67.51 1m5z n THR 18 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1m5z n PRO 19 N -1.76 2.63 -1.44 -2.82 -0.02 -1.26 -4.83 135.00 125.49 1m5z n PRO 19 Ca 0.12 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.17 1m5z n PRO 19 Cb 0.50 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.98 1m5z n PRO 19 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1m5z n VAL 20 N 0.00 1.68 -4.23 -1.45 0.24 -1.26 -4.61 118.33 108.70 1m5z n VAL 20 Ca 0.00 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.34 61.46 1m5z n VAL 20 Cb 0.00 -0.46 -0.15 0.00 -1.47 0.00 0.00 33.84 31.76 1m5z n VAL 20 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1m5z s GLU 21 N -1.45 3.21 0.32 7.34 2.02 0.02 -4.70 118.70 125.47 1m5z s GLU 21 Ca 0.62 -0.73 -0.29 0.00 0.02 0.00 0.00 54.97 54.59 1m5z s GLU 21 Cb -0.65 -2.73 -0.11 0.00 0.10 0.00 0.00 34.13 30.74 1m5z s GLU 21 CO 0.59 -0.11 1.49 -0.51 0.02 0.00 0.00 175.26 176.74 1m5z s LEU 22 N 1.14 4.35 -0.14 1.80 1.43 -1.25 -2.12 118.68 123.88 1m5z s LEU 22 Ca 0.01 2.90 -0.07 0.00 -1.03 0.00 0.00 54.13 55.94 1m5z s LEU 22 Cb -0.14 -3.65 0.06 0.00 0.03 0.00 0.00 46.19 42.49 1m5z s LEU 22 CO -0.05 -0.81 0.33 -2.28 0.23 0.00 0.00 176.35 173.77 1m5z s HIS 23 N -0.59 -0.50 0.17 0.29 5.65 0.19 -4.95 115.29 115.55 1m5z s HIS 23 Ca 0.57 1.08 -0.30 0.00 0.25 0.00 0.00 55.06 56.65 1m5z s HIS 23 Cb -0.45 0.14 -0.08 0.00 -1.18 0.00 0.00 32.58 31.01 1m5z s HIS 23 CO 0.54 -0.32 1.25 0.21 -0.65 0.00 0.00 174.74 175.77 1m5z s LYS 24 N 1.63 4.43 0.03 2.88 2.20 -1.26 -2.13 119.74 127.53 1m5z s LYS 24 Ca -0.07 1.94 0.02 0.00 -0.36 0.00 0.00 55.97 57.50 1m5z s LYS 24 Cb -0.10 -3.24 -0.02 0.00 -1.51 0.00 0.00 37.83 32.96 1m5z s LYS 24 CO -0.11 -0.20 -0.07 0.08 -0.36 0.00 0.00 175.35 174.69 1m5z s VAL 25 N 0.26 0.52 -0.10 4.02 1.01 0.11 -4.98 120.40 121.25 1m5z s VAL 25 Ca 0.56 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1m5z s VAL 25 Cb -0.34 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.51 1m5z s VAL 25 CO 0.36 -0.26 -0.01 -0.89 0.00 0.00 0.00 175.10 174.30 1m5z s THR 26 N -1.09 0.51 0.40 3.92 2.01 -1.25 -0.26 115.64 119.87 1m5z s THR 26 Ca -0.07 -0.05 0.08 0.00 0.31 0.00 0.00 61.69 61.95 1m5z s THR 26 Cb -0.08 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 1m5z s THR 26 CO 0.00 0.20 0.26 -0.76 -0.69 0.00 0.00 174.62 173.64 1m5z s LEU 27 N 1.91 3.29 -0.03 4.42 1.43 0.10 -4.55 118.68 125.26 1m5z s LEU 27 Ca 0.04 -0.85 0.01 0.00 -1.03 0.00 0.00 54.13 52.30 1m5z s LEU 27 Cb -0.13 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.31 1m5z s LEU 27 CO -0.06 -0.53 -0.05 -0.31 0.23 0.00 0.00 176.35 175.63 1m5z s TYR 28 N -2.50 0.66 0.33 0.29 2.02 -1.26 -0.03 117.35 116.86 1m5z s TYR 28 Ca 0.43 -0.16 0.07 0.00 -0.37 0.00 0.00 57.07 57.04 1m5z s TYR 28 Cb -0.01 -0.56 -0.02 0.00 -0.40 0.00 0.00 41.96 40.98 1m5z s TYR 28 CO 0.25 -0.13 0.41 0.21 -1.57 0.00 0.00 175.55 174.72 1m5z s LYS 29 N 0.61 3.00 -0.05 -0.62 2.20 -0.75 -4.68 119.74 119.45 1m5z s LYS 29 Ca -0.08 -1.10 -0.05 0.00 -0.36 0.00 0.00 55.97 54.38 1m5z s LYS 29 Cb -0.11 -2.71 0.01 0.00 -1.51 0.00 0.00 37.83 33.51 1m5z s LYS 29 CO -0.00 0.08 0.14 0.34 -0.36 0.00 0.00 175.35 175.55 1m5z s ASP 30 N -4.11 -0.12 0.62 1.43 -1.08 -1.26 -4.80 116.67 107.35 1m5z s ASP 30 Ca 0.43 0.21 0.32 0.00 -0.52 0.00 0.00 52.55 52.99 1m5z s ASP 30 Cb -0.08 0.29 1.77 0.00 -1.46 0.00 0.00 42.92 43.43 1m5z s ASP 30 CO 0.30 -0.10 2.07 0.28 0.52 0.00 0.00 175.17 178.24 1m5z h SER 31 N 5.64 0.00 0.43 -0.34 0.02 -2.00 0.14 113.55 117.44 1m5z h SER 31 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1m5z h SER 31 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1m5z h SER 31 CO 0.41 0.00 -0.88 0.61 -1.14 0.00 0.00 176.83 175.83 1m5z n GLY 32 N -1.31 -1.21 3.85 -3.77 0.00 -1.26 -4.94 105.19 96.56 1m5z n GLY 32 Ca 0.01 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 1m5z n GLY 32 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1m5z s MET 33 N -3.13 3.90 -0.00 1.61 1.75 0.49 -4.99 119.30 118.93 1m5z s MET 33 Ca 0.06 0.91 0.20 0.00 -1.25 0.00 0.00 55.69 55.61 1m5z s MET 33 Cb 0.15 -2.14 -0.23 0.00 2.84 0.00 0.00 34.83 35.46 1m5z s MET 33 CO 0.78 -0.30 0.83 0.39 -0.65 0.00 0.00 175.02 176.08 1m5z n GLU 34 N -1.71 0.36 -2.48 4.11 -0.58 -1.26 -4.84 120.64 114.24 1m5z n GLU 34 Ca 0.06 -0.01 -0.05 0.00 -0.42 0.00 0.00 57.16 56.74 1m5z n GLU 34 Cb 0.54 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 1m5z n GLU 34 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1m5z n ASP 35 N -1.52 -0.89 -2.11 1.62 5.75 -1.26 -5.04 116.55 113.09 1m5z n ASP 35 Ca 0.03 -1.82 -0.23 0.00 -0.01 0.00 0.00 54.79 52.76 1m5z n ASP 35 Cb 0.33 1.55 0.13 0.00 -1.03 0.00 0.00 41.12 42.10 1m5z n ASP 35 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1m5z n PHE 36 N -0.26 2.72 -0.90 2.11 -0.00 -1.26 -4.75 117.46 115.12 1m5z n PHE 36 Ca -0.02 -1.96 0.00 0.00 -0.00 0.00 0.00 57.45 55.47 1m5z n PHE 36 Cb 0.28 -0.98 0.00 0.00 -0.00 0.00 0.00 39.48 38.78 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 -0.86 0.91 3.64 7.13 0.00 -1.26 -3.93 105.19 110.82 1m5z n GLY 37 Ca 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.51 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 -3.61 -0.36 0.10 1.61 -0.71 -1.26 0.91 117.98 114.66 1m5z s PHE 38 Ca 0.00 0.80 -0.05 0.00 -1.04 0.00 0.00 56.93 56.64 1m5z s PHE 38 Cb 0.00 0.34 -0.05 0.00 -1.21 0.00 0.00 43.02 42.09 1m5z s PHE 38 CO 0.00 -0.18 0.34 -1.12 -1.34 0.00 0.00 175.22 172.92 1m5z s SER 39 N 0.67 6.49 0.40 1.98 0.01 0.20 -4.94 113.70 118.52 1m5z s SER 39 Ca -0.02 0.57 0.08 0.00 1.31 0.00 0.00 55.95 57.89 1m5z s SER 39 Cb -0.04 -2.08 -0.01 0.00 0.21 0.00 0.00 66.02 64.09 1m5z s SER 39 CO -0.12 0.12 0.43 0.68 0.41 0.00 0.00 173.24 174.77 1m5z s VAL 40 N -1.53 2.97 0.16 3.43 -7.23 -1.26 0.16 120.40 117.10 1m5z s VAL 40 Ca 0.36 -1.21 -0.02 0.00 -1.81 0.00 0.00 61.98 59.29 1m5z s VAL 40 Cb -0.13 -3.05 -0.03 0.00 0.56 0.00 0.00 36.38 33.73 1m5z s VAL 40 CO 0.22 -0.03 0.12 0.00 -0.31 0.00 0.00 175.10 175.11 1m5z s ALA 41 N -2.39 0.81 0.48 1.32 0.00 0.35 -4.48 121.76 117.85 1m5z s ALA 41 Ca 0.49 -1.45 -0.17 0.00 0.00 0.00 0.00 51.96 50.83 1m5z s ALA 41 Cb -0.06 1.04 -0.09 0.00 0.00 0.00 0.00 23.12 24.01 1m5z s ALA 41 CO 0.30 -0.56 0.96 0.34 0.00 0.00 0.00 175.76 176.80 1m5z s ASP 42 N -3.07 6.70 -0.19 0.00 2.15 -1.26 -1.74 116.67 119.26 1m5z s ASP 42 Ca 0.28 1.56 0.01 0.00 0.43 0.00 0.00 52.55 54.83 1m5z s ASP 42 Cb 0.06 -2.50 0.04 0.00 -0.30 0.00 0.00 42.92 40.22 1m5z s ASP 42 CO 0.05 -0.51 -0.10 -0.83 -0.17 0.00 0.00 175.17 173.61 1m5z s GLY 43 N -2.84 1.20 -0.08 2.66 0.00 0.96 -4.77 107.32 104.45 1m5z s GLY 43 Ca 0.59 -1.11 0.16 0.00 0.00 0.00 0.00 44.72 44.36 1m5z s GLY 43 CO 0.26 0.71 0.47 -0.10 0.00 0.00 0.00 173.10 174.44 1m5z n LEU 44 N 4.72 0.50 -0.07 0.66 0.00 -1.26 -2.21 117.00 119.35 1m5z n LEU 44 Ca -0.15 0.23 -0.08 0.00 0.00 0.00 0.00 56.01 56.02 1m5z n LEU 44 Cb 0.47 0.26 -0.05 0.00 0.00 0.00 0.00 43.42 44.10 1m5z n LEU 44 CO 0.20 0.36 -0.07 -0.07 0.00 0.00 0.00 177.39 177.81 1m5z h LEU 45 N 0.00 0.00 -2.00 -1.96 4.07 -1.98 -3.35 115.31 110.09 1m5z h LEU 45 Ca -0.34 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.29 1m5z h LEU 45 Cb 1.96 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.70 1m5z h LEU 45 CO 0.05 0.84 0.00 -0.62 -1.08 0.00 0.00 178.44 177.63 1m5z n GLU 46 N -4.64 2.62 -1.91 1.13 1.02 -1.26 -4.98 120.64 112.61 1m5z n GLU 46 Ca -0.09 -1.49 -0.03 0.00 -0.02 0.00 0.00 57.16 55.53 1m5z n GLU 46 Cb 0.29 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 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 0.38 -0.26 0.00 3.49 5.02 -1.14 -4.83 118.16 120.83 1m5z n LYS 47 Ca 0.13 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1m5z n LYS 47 Cb 0.60 -0.57 0.00 0.00 -0.02 0.00 0.00 35.03 35.05 1m5z n LYS 47 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1m5z n GLY 48 N 0.74 -0.69 3.07 0.72 0.00 -0.94 -4.10 105.19 103.99 1m5z n GLY 48 Ca -0.01 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.00 -0.01 0.42 1.61 1.01 -1.25 -0.03 120.40 118.16 1m5z s VAL 49 Ca 0.00 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.05 1m5z s VAL 49 Cb 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 1m5z s VAL 49 CO 0.00 0.01 0.16 -0.31 0.00 0.00 0.00 175.10 174.96 1m5z s TYR 50 N 0.30 1.78 -0.19 5.22 2.02 -0.71 -2.31 117.35 123.47 1m5z s TYR 50 Ca -0.02 -1.37 -0.22 0.00 -0.37 0.00 0.00 57.07 55.09 1m5z s TYR 50 Cb -0.03 -1.11 -0.02 0.00 -0.40 0.00 0.00 41.96 40.40 1m5z s TYR 50 CO -0.01 -0.40 0.69 0.08 -1.57 0.00 0.00 175.55 174.35 1m5z s VAL 51 N -3.20 4.98 -0.03 0.71 1.01 -0.94 0.13 120.40 123.07 1m5z s VAL 51 Ca 0.24 1.33 0.09 0.00 0.00 0.00 0.00 61.98 63.64 1m5z s VAL 51 Cb 0.02 -4.01 -0.23 0.00 0.00 0.00 0.00 36.38 32.16 1m5z s VAL 51 CO 0.16 0.09 0.71 0.07 0.00 0.00 0.00 175.10 176.13 1m5z h LYS 52 N 7.42 0.04 -2.72 2.72 2.10 0.13 -1.83 116.57 124.44 1m5z h LYS 52 Ca -0.31 -0.07 -0.05 0.00 -2.00 0.00 0.00 60.65 58.22 1m5z h LYS 52 Cb 1.14 0.03 -0.16 0.00 -0.90 0.00 0.00 32.23 32.34 1m5z h LYS 52 CO 0.79 0.66 0.08 -0.80 -2.00 0.00 0.00 179.45 178.18 1m5z s ASN 53 N -6.30 -0.48 -0.06 7.07 0.01 -0.99 -4.96 114.94 109.23 1m5z s ASN 53 Ca -0.06 0.21 -0.00 0.00 -0.71 0.00 0.00 52.86 52.29 1m5z s ASN 53 Cb 0.08 0.51 0.03 0.00 0.41 0.00 0.00 41.25 42.28 1m5z s ASN 53 CO 0.82 -0.74 -0.01 -0.63 -1.51 0.00 0.00 177.10 175.03 1m5z s ILE 54 N -2.49 0.40 0.02 0.60 1.01 -1.26 0.59 121.20 120.06 1m5z s ILE 54 Ca -0.05 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.35 1m5z s ILE 54 Cb -0.01 -0.51 -0.07 0.00 0.01 0.00 0.00 42.46 41.88 1m5z s ILE 54 CO -0.02 0.24 1.66 -0.60 0.00 0.00 0.00 174.94 176.22 1m5z s ARG 55 N 1.56 4.19 0.69 2.79 6.06 0.26 -4.92 118.95 129.59 1m5z s ARG 55 Ca -0.01 2.28 -0.16 0.00 -2.50 0.00 0.00 55.73 55.33 1m5z s ARG 55 Cb -0.13 -3.79 -0.01 0.00 0.06 0.00 0.00 34.95 31.08 1m5z s ARG 55 CO -0.03 -0.78 0.89 -2.30 -2.50 0.00 0.00 175.30 170.58 1m5z n PRO 56 N 6.30 0.56 -3.15 5.12 -0.02 -1.26 -2.36 135.00 140.19 1m5z n PRO 56 Ca 0.16 0.24 -0.16 0.00 -2.02 0.00 0.00 63.50 61.73 1m5z n PRO 56 Cb 0.42 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 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 -2.31 -1.01 -3.19 3.55 0.00 -1.26 -4.86 120.51 111.44 1m5z n ALA 57 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1m5z n ALA 57 Cb 0.49 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.69 6.66 0.33 0.00 0.00 -1.00 -4.87 105.19 105.62 1m5z n GLY 58 Ca 0.04 -2.07 -0.08 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.26 -0.24 1.61 0.11 -1.81 0.48 132.00 131.89 1m5z h PRO 59 Ca 0.00 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 1m5z h PRO 59 Cb 0.00 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 1m5z h PRO 59 CO 0.00 -0.17 -0.06 0.78 -0.21 0.00 0.00 178.00 178.34 1m5z h GLY 60 N -0.27 0.40 1.77 -0.55 0.00 -1.68 -1.38 103.07 101.36 1m5z h GLY 60 Ca 0.16 -0.23 -0.17 0.00 0.00 0.00 0.00 47.33 47.09 1m5z h GLY 60 CO -0.49 0.22 -0.72 -1.80 0.00 0.00 0.00 176.54 173.75 1m5z h ASP 61 N 0.36 0.26 0.72 0.19 3.58 -1.32 0.32 116.42 120.53 1m5z h ASP 61 Ca 0.08 -0.18 -0.15 0.00 0.42 0.00 0.00 57.03 57.20 1m5z h ASP 61 Cb 0.33 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 1m5z h ASP 61 CO 0.01 0.89 -0.69 -0.07 -2.88 0.00 0.00 179.24 176.51 1m5z h LEU 62 N 0.15 0.00 0.08 2.28 3.38 0.40 -3.26 115.31 118.34 1m5z h LEU 62 Ca -0.02 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.64 1m5z h LEU 62 Cb 1.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1m5z h LEU 62 CO 0.11 0.69 -1.65 1.23 0.09 0.00 0.00 178.44 178.92 1m5z h GLY 63 N 2.13 0.20 0.00 0.83 0.00 -1.18 -3.49 103.07 101.55 1m5z h GLY 63 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1m5z h GLY 63 CO 0.09 0.45 0.00 0.61 0.00 0.00 0.00 176.54 177.69 1m5z n GLY 64 N 1.69 1.72 3.75 4.60 0.00 -0.10 -4.87 105.19 111.98 1m5z n GLY 64 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 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 4.59 0.22 0.99 1.43 -0.09 -5.04 118.68 120.78 1m5z s LEU 65 Ca 0.00 1.79 0.08 0.00 -1.03 0.00 0.00 54.13 54.97 1m5z s LEU 65 Cb 0.00 -3.48 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 1m5z s LEU 65 CO 0.00 0.12 -0.14 -0.54 0.23 0.00 0.00 176.35 176.03 1m5z s LYS 66 N -0.86 1.36 0.35 1.70 1.02 -1.26 -4.78 119.74 117.28 1m5z s LYS 66 Ca 0.40 -1.62 -0.26 0.00 0.02 0.00 0.00 55.97 54.52 1m5z s LYS 66 Cb -0.24 -1.14 -0.13 0.00 -0.52 0.00 0.00 37.83 35.80 1m5z s LYS 66 CO 0.29 0.17 0.94 -2.30 -0.92 0.00 0.00 175.35 173.54 1m5z n PRO 67 N -0.41 1.24 -0.45 -1.68 -0.02 -1.26 -1.73 135.00 130.69 1m5z n PRO 67 Ca -0.08 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1m5z n PRO 67 Cb 0.61 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1m5z n PRO 67 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1m5z n TYR 68 N -0.19 0.00 -1.54 6.00 4.01 -0.69 -4.92 117.16 119.84 1m5z n TYR 68 Ca 0.10 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.68 1m5z n TYR 68 Cb 0.36 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.26 1m5z n TYR 68 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1m5z n ASP 69 N 0.00 0.68 -4.61 7.72 9.92 -0.71 -4.45 116.55 125.11 1m5z n ASP 69 Ca 0.00 -1.20 -0.43 0.00 -0.53 0.00 0.00 54.79 52.63 1m5z n ASP 69 Cb 0.00 -1.28 -0.02 0.00 -0.64 0.00 0.00 41.12 39.17 1m5z n ASP 69 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1m5z s ARG 70 N 8.25 3.73 -0.42 -1.24 3.52 -0.85 -2.21 118.95 129.73 1m5z s ARG 70 Ca 1.05 0.91 -0.28 0.00 -0.13 0.00 0.00 55.73 57.27 1m5z s ARG 70 Cb -0.37 -3.94 -0.01 0.00 -1.56 0.00 0.00 34.95 29.08 1m5z s ARG 70 CO 0.24 -1.37 1.65 -0.51 -0.81 0.00 0.00 175.30 174.51 1m5z s LEU 71 N 4.79 3.48 0.34 -0.88 1.43 -0.98 -0.25 118.68 126.62 1m5z s LEU 71 Ca 0.55 0.89 0.23 0.00 -1.03 0.00 0.00 54.13 54.78 1m5z s LEU 71 Cb -0.12 -3.31 0.26 0.00 0.03 0.00 0.00 46.19 43.05 1m5z s LEU 71 CO 0.29 -1.74 1.43 -0.07 0.23 0.00 0.00 176.35 176.49 1m5z h LEU 72 N 13.62 0.00 -7.00 1.79 3.38 -1.04 -3.17 115.31 122.88 1m5z h LEU 72 Ca -0.30 -0.01 0.20 0.00 0.09 0.00 0.00 57.88 57.86 1m5z h LEU 72 Cb 1.14 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.65 1m5z h LEU 72 CO 1.09 0.00 0.80 0.00 0.09 0.00 0.00 178.44 180.43 1m5z s GLN 73 N -3.25 0.28 -0.22 1.13 -2.07 -1.13 0.11 119.66 114.51 1m5z s GLN 73 Ca 0.05 0.02 0.01 0.00 -1.82 0.00 0.00 55.36 53.62 1m5z s GLN 73 Cb 0.07 0.13 0.05 0.00 -1.09 0.00 0.00 33.01 32.17 1m5z s GLN 73 CO 0.71 -0.10 -0.09 0.08 -1.32 0.00 0.00 175.29 174.57 1m5z s VAL 74 N -1.42 1.69 0.00 3.63 1.01 0.29 -1.45 120.40 124.16 1m5z s VAL 74 Ca 0.06 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1m5z s VAL 74 Cb -0.01 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1m5z s VAL 74 CO -0.04 0.06 0.00 0.59 0.00 0.00 0.00 175.10 175.71 1m5z n ASN 75 N 4.64 0.00 0.00 3.32 5.03 0.30 -2.22 115.26 126.33 1m5z n ASN 75 Ca -0.14 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.31 1m5z n ASN 75 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.21 1m5z n ASN 75 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1m5z n HIS 76 N 0.00 0.00 -3.00 3.10 8.25 -1.26 -5.00 115.22 117.31 1m5z n HIS 76 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 1m5z n HIS 76 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 1m5z n HIS 76 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1m5z s VAL 77 N 0.00 4.63 0.39 1.59 1.01 -0.94 -5.04 120.40 122.04 1m5z s VAL 77 Ca 0.00 1.63 -0.26 0.00 0.00 0.00 0.00 61.98 63.35 1m5z s VAL 77 Cb 0.00 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 1m5z s VAL 77 CO 0.00 0.42 1.20 -0.13 0.00 0.00 0.00 175.10 176.58 1m5z s ARG 78 N -0.40 4.11 0.00 2.72 0.52 -1.26 -0.55 118.95 124.09 1m5z s ARG 78 Ca 0.37 1.92 0.00 0.00 -0.52 0.00 0.00 55.73 57.50 1m5z s ARG 78 Cb -0.21 -2.76 0.00 0.00 0.52 0.00 0.00 34.95 32.50 1m5z s ARG 78 CO 0.24 -0.30 0.77 0.25 0.02 0.00 0.00 175.30 176.27 1m5z n THR 79 N 0.22 0.00 0.07 0.02 -2.24 0.30 -4.82 114.28 107.83 1m5z n THR 79 Ca 0.03 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.68 1m5z n THR 79 Cb 0.45 0.40 -0.08 0.00 -2.10 0.00 0.00 70.33 69.00 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 0.00 -0.16 -0.74 -0.78 3.08 -1.43 -2.99 114.38 111.37 1m5z h ARG 80 Ca 0.00 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1m5z h ARG 80 Cb 1.23 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 1m5z h ARG 80 CO 0.00 0.14 0.04 -3.47 -1.07 0.00 0.00 179.97 175.61 1m5z n ASP 81 N -5.03 4.22 -4.90 7.04 2.03 -1.26 -3.88 116.55 114.77 1m5z n ASP 81 Ca -0.09 -2.69 -0.28 0.00 0.52 0.00 0.00 54.79 52.25 1m5z n ASP 81 Cb 0.20 -0.64 0.08 0.00 -0.72 0.00 0.00 41.12 40.03 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 -2.23 3.00 0.26 -0.67 0.40 -1.13 -4.75 117.98 112.86 1m5z s PHE 82 Ca 0.38 0.72 0.08 0.00 -0.60 0.00 0.00 56.93 57.51 1m5z s PHE 82 Cb 0.29 -3.36 -0.04 0.00 0.51 0.00 0.00 43.02 40.42 1m5z s PHE 82 CO 0.11 -1.60 0.09 0.34 0.70 0.00 0.00 175.22 174.86 1m5z s ASP 83 N -4.53 4.98 0.50 1.36 2.15 -1.26 -3.77 116.67 116.10 1m5z s ASP 83 Ca 0.61 -0.48 0.27 0.00 0.43 0.00 0.00 52.55 53.37 1m5z s ASP 83 Cb -0.11 -1.08 1.36 0.00 -0.30 0.00 0.00 42.92 42.79 1m5z s ASP 83 CO 0.48 -0.04 1.90 0.00 -0.17 0.00 0.00 175.17 177.34 1m5z n LEU 86 N -3.22 0.21 0.11 0.00 4.32 0.26 -4.14 117.00 114.53 1m5z n LEU 86 Ca 0.01 0.07 -0.18 0.00 -0.02 0.00 0.00 56.01 55.89 1m5z n LEU 86 Cb 0.37 0.41 -0.14 0.00 -1.62 0.00 0.00 43.42 42.45 1m5z n LEU 86 CO 0.30 0.49 -0.07 0.58 -1.22 0.00 0.00 177.39 177.47 1m5z h VAL 87 N 0.00 1.45 -0.73 4.08 2.07 -0.52 -2.73 116.25 119.87 1m5z h VAL 87 Ca -0.51 -2.96 -0.06 0.00 0.82 0.00 0.00 66.70 63.99 1m5z h VAL 87 Cb 2.20 2.93 -0.03 0.00 -1.52 0.00 0.00 31.29 34.88 1m5z h VAL 87 CO 0.04 0.87 0.21 1.62 0.02 0.00 0.00 177.57 180.32 1m5z h VAL 88 N 0.10 1.26 -0.03 2.57 3.04 -1.18 -1.15 116.25 120.86 1m5z h VAL 88 Ca -0.15 -0.94 -0.08 0.00 -1.01 0.00 0.00 66.70 64.52 1m5z h VAL 88 Cb 1.99 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 31.75 1m5z h VAL 88 CO 0.22 0.37 -0.29 1.55 -1.01 0.00 0.00 177.57 178.40 1m5z h PRO 89 N 1.09 0.25 -0.29 4.17 0.13 -1.72 -2.35 132.00 133.29 1m5z h PRO 89 Ca 0.23 -0.23 0.08 0.00 -0.87 0.00 0.00 66.00 65.22 1m5z h PRO 89 Cb 0.33 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 1m5z h PRO 89 CO -0.00 0.91 0.23 -0.07 -0.23 0.00 0.00 178.00 178.84 1m5z h LEU 90 N -0.32 0.00 0.00 1.56 3.38 -1.46 0.61 115.31 119.08 1m5z h LEU 90 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1m5z h LEU 90 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1m5z h LEU 90 CO 0.06 0.00 -0.09 0.40 0.09 0.00 0.00 178.44 178.90 1m5z h ILE 91 N 0.00 1.61 -0.00 1.22 2.04 -1.15 -3.02 117.51 118.20 1m5z h ILE 91 Ca 0.14 -1.90 0.00 0.00 1.00 0.00 0.00 64.86 64.09 1m5z h ILE 91 Cb 0.60 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.55 1m5z h ILE 91 CO -0.00 0.50 -0.01 0.00 0.00 0.00 0.00 178.15 178.64 1m5z n ALA 92 N -2.52 2.62 0.65 1.87 0.00 -0.68 -3.32 120.51 119.12 1m5z n ALA 92 Ca -0.10 -0.19 0.09 0.00 0.00 0.00 0.00 53.44 53.24 1m5z n ALA 92 Cb 0.43 -1.48 -0.12 0.00 0.00 0.00 0.00 19.45 18.29 1m5z n ALA 92 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1m5z n GLU 93 N -1.06 0.83 0.13 0.00 -0.58 0.21 -4.31 120.64 115.86 1m5z n GLU 93 Ca 0.19 -0.04 0.11 0.00 -0.42 0.00 0.00 57.16 57.00 1m5z n GLU 93 Cb 0.18 -1.39 0.50 0.00 -0.57 0.00 0.00 31.44 30.17 1m5z n GLU 93 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1m5z n SER 94 N -1.62 0.57 0.00 1.62 2.88 -1.14 -4.97 113.62 110.96 1m5z n SER 94 Ca 0.02 0.69 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 1m5z n SER 94 Cb 0.34 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 1m5z n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1m5z n GLY 95 N -0.61 0.26 0.15 0.46 0.00 -1.26 -3.98 105.19 100.21 1m5z n GLY 95 Ca 0.01 -1.40 0.13 0.00 0.00 0.00 0.00 46.02 44.75 1m5z n GLY 95 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1m5z h ASN 96 N 3.96 0.00 -4.32 1.61 -0.26 -1.93 -3.39 115.58 111.25 1m5z h ASN 96 Ca 0.00 0.00 -0.56 0.00 -0.56 0.00 0.00 56.30 55.18 1m5z h ASN 96 Cb 0.00 0.00 -0.30 0.00 -1.06 0.00 0.00 38.32 36.96 1m5z h ASN 96 CO 0.00 0.00 -0.84 -0.54 -1.06 0.00 0.00 177.43 174.99 1m5z s LYS 97 N -3.30 1.50 -0.35 0.81 1.02 -1.26 -1.81 119.74 116.36 1m5z s LYS 97 Ca 0.06 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.40 1m5z s LYS 97 Cb 0.10 -1.44 0.11 0.00 -0.52 0.00 0.00 37.83 36.08 1m5z s LYS 97 CO 0.49 0.38 0.13 -1.17 -0.92 0.00 0.00 175.35 174.27 1m5z s LEU 98 N -0.40 2.53 -0.30 3.17 0.20 0.95 -4.63 118.68 120.21 1m5z s LEU 98 Ca 0.06 -1.95 -0.13 0.00 0.69 0.00 0.00 54.13 52.80 1m5z s LEU 98 Cb -0.07 -0.96 -0.04 0.00 -0.43 0.00 0.00 46.19 44.69 1m5z s LEU 98 CO -0.01 -0.37 0.28 -1.81 -0.29 0.00 0.00 176.35 174.15 1m5z s ASP 99 N 1.22 6.12 0.08 3.68 1.11 -1.26 0.02 116.67 127.63 1m5z s ASP 99 Ca 0.12 -0.02 -0.09 0.00 0.18 0.00 0.00 52.55 52.74 1m5z s ASP 99 Cb -0.19 -2.16 -0.00 0.00 1.07 0.00 0.00 42.92 41.64 1m5z s ASP 99 CO -0.17 -0.16 0.19 -1.48 1.18 0.00 0.00 175.17 174.73 1m5z s LEU 100 N 1.88 1.42 -0.31 1.23 0.05 0.64 0.11 118.68 123.70 1m5z s LEU 100 Ca 0.10 -0.59 -0.03 0.00 0.05 0.00 0.00 54.13 53.67 1m5z s LEU 100 Cb -0.16 1.01 0.05 0.00 -2.05 0.00 0.00 46.19 45.04 1m5z s LEU 100 CO 0.11 -0.69 0.02 -0.69 -0.55 0.00 0.00 176.35 174.55 1m5z s VAL 101 N -3.56 3.14 0.41 1.48 1.01 -0.53 0.09 120.40 122.44 1m5z s VAL 101 Ca 0.03 -1.36 0.08 0.00 0.00 0.00 0.00 61.98 60.72 1m5z s VAL 101 Cb 0.04 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1m5z s VAL 101 CO -0.09 -0.14 0.31 0.27 0.00 0.00 0.00 175.10 175.45 1m5z s ILE 102 N 1.28 2.63 -0.07 2.22 -5.25 -0.90 -0.55 121.20 120.55 1m5z s ILE 102 Ca -0.04 -1.45 0.01 0.00 -0.99 0.00 0.00 60.65 58.18 1m5z s ILE 102 Cb -0.20 -3.01 0.02 0.00 2.95 0.00 0.00 42.46 42.22 1m5z s ILE 102 CO -0.00 -0.02 -0.09 -0.44 -1.79 0.00 0.00 174.94 172.60 1m5z s SER 103 N -4.06 1.62 -0.01 4.36 0.01 0.66 0.55 113.70 116.84 1m5z s SER 103 Ca 0.46 -0.25 -0.01 0.00 1.31 0.00 0.00 55.95 57.45 1m5z s SER 103 Cb -0.01 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.50 1m5z s SER 103 CO 0.26 -0.02 0.03 0.00 0.41 0.00 0.00 173.24 173.92 1m5z s ARG 104 N 0.95 0.09 0.21 12.44 3.03 -0.90 -2.00 118.95 132.77 1m5z s ARG 104 Ca -0.10 -0.04 -0.30 0.00 2.03 0.00 0.00 55.73 57.33 1m5z s ARG 104 Cb -0.15 0.04 -0.09 0.00 -1.03 0.00 0.00 34.95 33.72 1m5z s ARG 104 CO 0.00 -0.01 1.23 -0.80 -1.13 0.00 0.00 175.30 174.59 1m5z s ASN 105 N -0.19 7.02 0.00 -2.89 -0.87 -1.26 -0.80 114.94 115.95 1m5z s ASN 105 Ca -0.02 2.33 0.00 0.00 -1.57 0.00 0.00 52.86 53.60 1m5z s ASN 105 Cb -0.02 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.60 1m5z s ASN 105 CO -0.00 -0.41 0.37 -2.65 -2.57 0.00 0.00 177.10 171.84