#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 1.39 0.02 1.43 -0.02 -1.26 -3.50 135.00 133.06 1m5z n PRO 17 Ca 0.00 -0.67 0.00 0.00 -2.02 0.00 0.00 63.50 60.81 1m5z n PRO 17 Cb 0.00 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1m5z n PRO 17 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1m5z n THR 18 N 2.58 0.00 0.41 3.45 -1.04 -1.26 -4.96 114.28 113.47 1m5z n THR 18 Ca 0.29 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.28 1m5z n THR 18 Cb 0.64 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 69.24 1m5z n THR 18 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1m5z n PRO 19 N -2.45 1.80 -1.49 -2.82 -0.05 -1.23 -4.97 135.00 123.80 1m5z n PRO 19 Ca 0.00 -0.89 -0.51 0.00 -0.05 0.00 0.00 63.50 62.05 1m5z n PRO 19 Cb 0.00 -1.56 -0.05 0.00 -0.05 0.00 0.00 33.50 31.85 1m5z n PRO 19 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 175.50 176.78 1m5z n VAL 20 N 0.11 1.14 -3.42 0.52 0.24 -1.23 -4.73 118.33 110.96 1m5z n VAL 20 Ca 0.12 -0.28 -0.38 0.00 -2.04 0.00 0.00 64.34 61.75 1m5z n VAL 20 Cb 0.66 -0.29 -0.09 0.00 -1.47 0.00 0.00 33.84 32.65 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 -0.59 4.07 0.62 7.34 -6.30 -0.77 -4.70 118.70 118.38 1m5z s GLU 21 Ca 0.74 0.06 -0.19 0.00 -2.50 0.00 0.00 54.97 53.08 1m5z s GLU 21 Cb -0.99 -3.60 -0.02 0.00 0.00 0.00 0.00 34.13 29.52 1m5z s GLU 21 CO 0.56 -0.16 1.31 -0.51 0.02 0.00 0.00 175.26 176.47 1m5z s LEU 22 N 1.70 3.64 -0.28 2.70 1.43 -1.26 0.17 118.68 126.78 1m5z s LEU 22 Ca 0.15 2.66 -0.08 0.00 -1.03 0.00 0.00 54.13 55.83 1m5z s LEU 22 Cb -0.15 -4.54 0.13 0.00 0.03 0.00 0.00 46.19 41.66 1m5z s LEU 22 CO 0.09 -1.90 0.60 -2.28 0.23 0.00 0.00 176.35 173.09 1m5z s HIS 23 N -1.37 -1.29 0.14 0.29 5.65 0.23 -4.82 115.29 114.11 1m5z s HIS 23 Ca 0.80 2.05 -0.31 0.00 0.25 0.00 0.00 55.06 57.86 1m5z s HIS 23 Cb -0.38 0.66 -0.08 0.00 -1.18 0.00 0.00 32.58 31.61 1m5z s HIS 23 CO 0.41 -0.68 1.30 0.21 -0.65 0.00 0.00 174.74 175.34 1m5z s LYS 24 N 2.84 4.38 0.00 2.88 2.20 -1.26 -2.05 119.74 128.73 1m5z s LYS 24 Ca 0.00 1.98 0.03 0.00 -0.36 0.00 0.00 55.97 57.62 1m5z s LYS 24 Cb -0.13 -3.25 -0.01 0.00 -1.51 0.00 0.00 37.83 32.93 1m5z s LYS 24 CO -0.18 -0.30 -0.10 0.08 -0.36 0.00 0.00 175.35 174.49 1m5z s VAL 25 N 0.65 0.75 -0.20 4.02 1.01 0.79 -4.97 120.40 122.46 1m5z s VAL 25 Ca 0.59 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 1m5z s VAL 25 Cb -0.35 -0.65 0.06 0.00 0.00 0.00 0.00 36.38 35.45 1m5z s VAL 25 CO 0.33 0.14 0.04 -0.89 0.00 0.00 0.00 175.10 174.72 1m5z s THR 26 N -0.36 0.52 0.36 3.92 2.01 -1.26 -0.30 115.64 120.53 1m5z s THR 26 Ca 0.02 -0.59 0.08 0.00 0.31 0.00 0.00 61.69 61.51 1m5z s THR 26 Cb -0.04 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 1m5z s THR 26 CO -0.00 -0.24 0.30 -0.76 -0.69 0.00 0.00 174.62 173.23 1m5z s LEU 27 N 1.86 3.49 0.08 4.42 1.43 0.29 -4.77 118.68 125.48 1m5z s LEU 27 Ca -0.00 -0.61 0.10 0.00 -1.03 0.00 0.00 54.13 52.59 1m5z s LEU 27 Cb -0.17 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 1m5z s LEU 27 CO -0.09 -0.43 -0.25 -0.31 0.23 0.00 0.00 176.35 175.49 1m5z s TYR 28 N -2.37 2.21 0.19 0.29 1.51 -1.26 0.16 117.35 118.08 1m5z s TYR 28 Ca 0.42 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 56.10 1m5z s TYR 28 Cb -0.05 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.50 1m5z s TYR 28 CO 0.26 0.21 0.35 0.21 -1.11 0.00 0.00 175.55 175.48 1m5z s LYS 29 N -1.61 3.48 0.21 -0.62 2.20 0.35 -4.71 119.74 119.05 1m5z s LYS 29 Ca 0.12 -0.46 0.09 0.00 -0.36 0.00 0.00 55.97 55.36 1m5z s LYS 29 Cb -0.10 -2.89 -0.04 0.00 -1.51 0.00 0.00 37.83 33.29 1m5z s LYS 29 CO 0.04 0.44 -0.07 0.34 -0.36 0.00 0.00 175.35 175.74 1m5z s ASP 30 N -3.25 4.34 -1.10 1.43 -1.08 -1.26 -4.96 116.67 110.79 1m5z s ASP 30 Ca 0.37 -0.61 -0.24 0.00 -0.52 0.00 0.00 52.55 51.55 1m5z s ASP 30 Cb -0.11 -0.76 -0.10 0.00 -1.46 0.00 0.00 42.92 40.50 1m5z s ASP 30 CO 0.29 0.07 1.98 -0.55 0.52 0.00 0.00 175.17 177.47 1m5z s SER 31 N -3.14 4.81 0.00 -0.34 0.15 -1.26 -1.96 113.70 111.95 1m5z s SER 31 Ca 0.27 -1.32 0.00 0.00 0.70 0.00 0.00 55.95 55.61 1m5z s SER 31 Cb -0.08 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1m5z s SER 31 CO 0.17 -3.26 0.00 0.61 1.20 0.00 0.00 173.24 171.96 1m5z n GLY 32 N 6.10 1.78 3.68 9.45 0.00 -1.26 -5.10 105.19 119.83 1m5z n GLY 32 Ca 0.44 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.05 4.37 0.05 1.61 -1.94 -0.83 -4.92 119.30 117.59 1m5z s MET 33 Ca 0.00 1.24 0.19 0.00 -1.71 0.00 0.00 55.69 55.41 1m5z s MET 33 Cb 0.00 -3.56 0.79 0.00 2.01 0.00 0.00 34.83 34.07 1m5z s MET 33 CO 0.00 -0.33 1.60 -1.91 -0.01 0.00 0.00 175.02 174.37 1m5z n GLU 34 N 5.13 0.04 -2.57 2.03 0.00 -1.26 -4.86 120.64 119.15 1m5z n GLU 34 Ca 0.07 0.23 -0.06 0.00 0.00 0.00 0.00 57.16 57.41 1m5z n GLU 34 Cb 0.49 -1.57 0.01 0.00 0.00 0.00 0.00 31.44 30.36 1m5z n GLU 34 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1m5z n ASP 35 N -1.64 -1.05 -1.66 4.31 8.00 -1.26 -5.05 116.55 118.20 1m5z n ASP 35 Ca 0.04 -1.89 -0.13 0.00 0.71 0.00 0.00 54.79 53.52 1m5z n ASP 35 Cb 0.22 1.79 0.19 0.00 -0.02 0.00 0.00 41.12 43.30 1m5z n ASP 35 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1m5z n PHE 36 N -0.29 2.01 -0.58 1.24 3.72 -1.26 -4.81 117.46 117.48 1m5z n PHE 36 Ca -0.03 -1.71 0.00 0.00 -0.05 0.00 0.00 57.45 55.66 1m5z n PHE 36 Cb 0.31 -0.70 0.00 0.00 -0.94 0.00 0.00 39.48 38.15 1m5z n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1m5z n GLY 37 N -1.12 0.73 3.60 1.37 0.00 -1.26 -3.65 105.19 104.86 1m5z n GLY 37 Ca 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.30 -0.28 0.04 1.61 -0.71 -1.26 -1.74 117.98 113.34 1m5z s PHE 38 Ca 0.00 0.52 0.08 0.00 -1.04 0.00 0.00 56.93 56.49 1m5z s PHE 38 Cb 0.00 0.45 -0.03 0.00 -1.21 0.00 0.00 43.02 42.23 1m5z s PHE 38 CO 0.00 -0.24 -0.22 -1.12 -1.34 0.00 0.00 175.22 172.30 1m5z s SER 39 N -0.92 3.52 0.35 1.98 0.01 0.61 -4.97 113.70 114.28 1m5z s SER 39 Ca 0.02 -0.49 0.08 0.00 1.31 0.00 0.00 55.95 56.87 1m5z s SER 39 Cb -0.01 -0.47 -0.04 0.00 0.21 0.00 0.00 66.02 65.70 1m5z s SER 39 CO -0.02 0.26 0.13 0.68 0.41 0.00 0.00 173.24 174.70 1m5z s VAL 40 N -0.86 2.89 0.19 3.43 -7.23 -1.26 0.19 120.40 117.74 1m5z s VAL 40 Ca 0.13 -1.73 0.05 0.00 -1.81 0.00 0.00 61.98 58.63 1m5z s VAL 40 Cb -0.10 -2.95 -0.05 0.00 0.56 0.00 0.00 36.38 33.84 1m5z s VAL 40 CO 0.04 -0.16 -0.09 0.00 -0.31 0.00 0.00 175.10 174.57 1m5z s ALA 41 N -2.46 1.76 0.90 1.32 0.00 0.28 -4.80 121.76 118.77 1m5z s ALA 41 Ca 0.38 -1.63 -0.12 0.00 0.00 0.00 0.00 51.96 50.59 1m5z s ALA 41 Cb -0.02 0.12 0.13 0.00 0.00 0.00 0.00 23.12 23.35 1m5z s ALA 41 CO 0.22 -0.08 1.11 0.16 0.00 0.00 0.00 175.76 177.17 1m5z s ASP 42 N -3.26 3.53 -0.20 0.00 -4.77 -1.26 -1.51 116.67 109.20 1m5z s ASP 42 Ca 0.22 1.23 -0.06 0.00 -3.30 0.00 0.00 52.55 50.64 1m5z s ASP 42 Cb 0.02 -1.89 -0.03 0.00 -1.09 0.00 0.00 42.92 39.93 1m5z s ASP 42 CO 0.05 -2.57 0.03 -0.83 0.70 0.00 0.00 175.17 172.55 1m5z s GLY 43 N -3.71 1.78 0.00 2.12 0.00 0.27 -4.77 107.32 103.01 1m5z s GLY 43 Ca 0.63 -0.91 0.26 0.00 0.00 0.00 0.00 44.72 44.70 1m5z s GLY 43 CO 0.55 0.18 1.53 -0.10 0.00 0.00 0.00 173.10 175.27 1m5z n LEU 44 N 4.04 2.18 -0.48 0.66 0.00 -1.26 -3.90 117.00 118.23 1m5z n LEU 44 Ca -0.17 -0.73 0.00 0.00 0.00 0.00 0.00 56.01 55.11 1m5z n LEU 44 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.93 1m5z n LEU 44 CO 0.33 0.37 0.24 0.18 0.00 0.00 0.00 177.39 178.51 1m5z n LEU 45 N 0.71 0.00 -0.64 -1.96 4.77 -1.26 -4.91 117.00 113.71 1m5z n LEU 45 Ca 0.17 -0.98 -0.01 0.00 -0.03 0.00 0.00 56.01 55.16 1m5z n LEU 45 Cb 0.46 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.54 1m5z n LEU 45 CO 0.16 0.76 0.26 -0.62 -1.33 0.00 0.00 177.39 176.62 1m5z n GLU 46 N 0.00 0.00 -2.96 3.23 -0.58 -1.26 -5.03 120.64 114.04 1m5z n GLU 46 Ca 0.00 -0.46 -0.08 0.00 -0.42 0.00 0.00 57.16 56.21 1m5z n GLU 46 Cb 0.56 -0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.40 1m5z n GLU 46 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1m5z n LYS 47 N 0.03 -0.98 -1.08 3.49 4.76 -1.25 -4.78 118.16 118.34 1m5z n LYS 47 Ca -0.05 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1m5z n LYS 47 Cb 0.60 -0.84 0.00 0.00 -1.84 0.00 0.00 35.03 32.95 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 -1.38 3.92 2.97 0.72 0.00 -1.26 -4.05 105.19 106.12 1m5z n GLY 48 Ca -0.08 -1.40 -0.17 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.98 0.49 0.04 1.61 1.01 -1.24 0.98 120.40 121.30 1m5z s VAL 49 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 1m5z s VAL 49 Cb 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 1m5z s VAL 49 CO 0.00 0.14 -0.04 -0.31 0.00 0.00 0.00 175.10 174.90 1m5z s TYR 50 N -0.11 0.41 0.99 5.22 2.02 -0.57 -2.70 117.35 122.60 1m5z s TYR 50 Ca 0.02 -0.74 -0.12 0.00 -0.37 0.00 0.00 57.07 55.86 1m5z s TYR 50 Cb -0.03 -0.29 0.13 0.00 -0.40 0.00 0.00 41.96 41.38 1m5z s TYR 50 CO -0.00 -0.25 0.81 0.28 -1.57 0.00 0.00 175.55 174.82 1m5z n VAL 51 N 0.99 0.00 0.00 0.71 0.31 -0.83 0.10 118.33 119.61 1m5z n VAL 51 Ca -0.20 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1m5z n VAL 51 Cb 0.57 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 1m5z n VAL 51 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1m5z n LYS 52 N -3.43 0.00 -3.70 5.55 2.85 0.49 -3.02 118.16 116.90 1m5z n LYS 52 Ca 0.08 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.19 1m5z n LYS 52 Cb 0.54 -0.43 -0.15 0.00 -0.65 0.00 0.00 35.03 34.34 1m5z n LYS 52 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1m5z s ASN 53 N -1.71 0.34 -0.13 -5.58 0.01 -1.00 -4.88 114.94 101.99 1m5z s ASN 53 Ca 0.00 0.38 0.01 0.00 -0.71 0.00 0.00 52.86 52.55 1m5z s ASN 53 Cb 0.00 0.33 0.02 0.00 0.41 0.00 0.00 41.25 42.00 1m5z s ASN 53 CO 0.00 -0.21 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.59 1m5z s ILE 54 N 1.88 1.68 -0.12 0.60 1.01 -1.26 -0.28 121.20 124.70 1m5z s ILE 54 Ca -0.02 -0.73 -0.29 0.00 0.00 0.00 0.00 60.65 59.61 1m5z s ILE 54 Cb -0.12 -1.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.78 1m5z s ILE 54 CO -0.07 0.48 1.71 -0.13 0.00 0.00 0.00 174.94 176.93 1m5z s ARG 55 N 1.13 3.95 -0.60 2.79 0.52 -0.71 -4.87 118.95 121.17 1m5z s ARG 55 Ca -0.02 2.01 -0.05 0.00 -0.52 0.00 0.00 55.73 57.15 1m5z s ARG 55 Cb -0.14 -4.05 -0.09 0.00 0.52 0.00 0.00 34.95 31.19 1m5z s ARG 55 CO -0.05 -1.12 2.19 -0.35 0.02 0.00 0.00 175.30 175.99 1m5z n PRO 56 N 7.48 1.78 0.01 3.54 -0.04 -1.26 -3.16 135.00 143.35 1m5z n PRO 56 Ca 0.19 -1.15 0.00 0.00 -0.04 0.00 0.00 63.50 62.50 1m5z n PRO 56 Cb 0.44 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 1m5z n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1m5z n ALA 57 N 3.65 0.00 -0.96 0.55 0.00 -1.26 -4.96 120.51 117.53 1m5z n ALA 57 Ca 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.81 1m5z n ALA 57 Cb 0.27 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.17 -3.53 0.40 0.00 0.00 -1.19 -4.33 105.19 95.37 1m5z n GLY 58 Ca 0.00 -1.16 0.21 0.00 0.00 0.00 0.00 46.02 45.06 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 0.17 -0.02 1.61 0.11 -1.84 -1.60 132.00 130.42 1m5z h PRO 59 Ca -0.02 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.10 1m5z h PRO 59 Cb 0.06 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.11 1m5z h PRO 59 CO 0.01 0.11 -0.11 0.78 -0.21 0.00 0.00 178.00 178.58 1m5z h GLY 60 N 0.17 -0.11 1.75 -0.55 0.00 -1.69 -0.41 103.07 102.22 1m5z h GLY 60 Ca 0.36 0.13 -0.17 0.00 0.00 0.00 0.00 47.33 47.65 1m5z h GLY 60 CO -0.06 -0.12 -0.71 -1.80 0.00 0.00 0.00 176.54 173.85 1m5z h ASP 61 N -0.18 0.29 -0.85 0.19 3.58 -1.35 -2.33 116.42 115.77 1m5z h ASP 61 Ca 0.05 -0.19 0.02 0.00 0.42 0.00 0.00 57.03 57.33 1m5z h ASP 61 Cb 0.25 -0.09 -0.05 0.00 1.72 0.00 0.00 39.33 41.17 1m5z h ASP 61 CO -0.13 0.90 0.56 -0.07 -2.88 0.00 0.00 179.24 177.62 1m5z h LEU 62 N 0.16 0.94 0.01 2.28 3.38 -0.92 -3.16 115.31 118.01 1m5z h LEU 62 Ca -0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1m5z h LEU 62 Cb 1.26 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1m5z h LEU 62 CO 0.11 0.67 -0.01 1.23 0.09 0.00 0.00 178.44 180.53 1m5z h GLY 63 N 1.11 -0.02 0.00 0.83 0.00 -1.06 -3.49 103.07 100.44 1m5z h GLY 63 Ca 0.32 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1m5z h GLY 63 CO -0.09 -0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.05 1m5z n GLY 64 N 1.22 0.79 3.86 4.60 0.00 -0.92 -4.98 105.19 109.76 1m5z n GLY 64 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 4.26 0.09 0.99 1.43 -0.94 -5.06 118.68 119.45 1m5z s LEU 65 Ca 0.00 0.93 -0.01 0.00 -1.03 0.00 0.00 54.13 54.03 1m5z s LEU 65 Cb 0.00 -3.41 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 1m5z s LEU 65 CO 0.00 0.03 -0.01 -1.59 0.23 0.00 0.00 176.35 175.02 1m5z s LYS 66 N -2.38 0.76 0.55 1.70 -2.85 -1.26 -4.80 119.74 111.46 1m5z s LYS 66 Ca 0.42 -1.32 -0.20 0.00 -1.00 0.00 0.00 55.97 53.87 1m5z s LYS 66 Cb -0.13 0.15 -0.07 0.00 -2.06 0.00 0.00 37.83 35.72 1m5z s LYS 66 CO 0.20 -0.15 0.93 -2.30 0.10 0.00 0.00 175.35 174.14 1m5z n PRO 67 N 0.01 1.00 0.00 1.78 -0.02 -1.26 -2.38 135.00 134.13 1m5z n PRO 67 Ca -0.11 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1m5z n PRO 67 Cb 0.62 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 -1.36 0.00 -1.47 6.00 4.01 -1.17 -4.90 117.16 118.28 1m5z n TYR 68 Ca 0.12 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.73 1m5z n TYR 68 Cb 0.45 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.37 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 0.43 -4.55 7.72 9.92 -1.00 -4.57 116.55 124.49 1m5z n ASP 69 Ca 0.00 -1.57 -0.36 0.00 -0.53 0.00 0.00 54.79 52.33 1m5z n ASP 69 Cb 0.00 -1.29 -0.04 0.00 -0.64 0.00 0.00 41.12 39.15 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 7.85 2.92 -0.22 -1.24 3.52 -0.90 -1.97 118.95 128.91 1m5z s ARG 70 Ca 0.84 -0.18 -0.31 0.00 -0.13 0.00 0.00 55.73 55.94 1m5z s ARG 70 Cb -0.24 -4.73 -0.08 0.00 -1.56 0.00 0.00 34.95 28.34 1m5z s ARG 70 CO 0.20 -2.69 2.14 1.28 -0.81 0.00 0.00 175.30 175.43 1m5z n LEU 71 N 11.60 2.98 -0.03 -0.88 4.77 -1.10 -1.53 117.00 132.81 1m5z n LEU 71 Ca 0.25 0.43 -0.00 0.00 -0.03 0.00 0.00 56.01 56.66 1m5z n LEU 71 Cb 0.50 -1.43 -0.00 0.00 -2.33 0.00 0.00 43.42 40.16 1m5z n LEU 71 CO 0.67 -0.55 -0.02 -0.07 -1.33 0.00 0.00 177.39 176.08 1m5z h LEU 72 N 13.02 0.00 -7.98 2.23 3.38 -1.10 -3.36 115.31 121.49 1m5z h LEU 72 Ca -0.38 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.23 1m5z h LEU 72 Cb 1.27 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.74 1m5z h LEU 72 CO 0.98 0.32 -0.76 0.00 0.09 0.00 0.00 178.44 179.06 1m5z s GLN 73 N -1.38 0.57 -0.22 1.13 -2.07 -1.16 0.17 119.66 116.70 1m5z s GLN 73 Ca -0.01 -0.28 0.01 0.00 -1.82 0.00 0.00 55.36 53.26 1m5z s GLN 73 Cb 0.00 -0.54 0.03 0.00 -1.09 0.00 0.00 33.01 31.41 1m5z s GLN 73 CO 0.02 0.15 -0.14 0.08 -1.32 0.00 0.00 175.29 174.07 1m5z s VAL 74 N -0.23 2.33 -1.06 3.63 1.01 -0.53 -0.97 120.40 124.59 1m5z s VAL 74 Ca 0.02 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1m5z s VAL 74 Cb -0.03 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1m5z s VAL 74 CO -0.00 0.30 0.00 -3.20 0.00 0.00 0.00 175.10 172.20 1m5z n ASN 75 N 4.59 -3.90 0.00 3.32 2.85 0.77 -2.08 115.26 120.81 1m5z n ASN 75 Ca -0.18 0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.33 1m5z n ASN 75 Cb 0.47 -3.00 0.00 0.00 1.24 0.00 0.00 39.78 38.49 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 -3.77 0.00 -2.94 1.20 -0.00 -1.26 -5.03 115.22 103.42 1m5z n HIS 76 Ca -0.14 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.18 1m5z n HIS 76 Cb 0.57 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.51 1m5z n HIS 76 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1m5z s VAL 77 N -2.92 4.69 -0.15 3.57 0.11 -0.88 -5.00 120.40 119.81 1m5z s VAL 77 Ca 0.00 1.70 -0.29 0.00 -2.93 0.00 0.00 61.98 60.46 1m5z s VAL 77 Cb 0.00 -4.15 -0.03 0.00 -1.53 0.00 0.00 36.38 30.67 1m5z s VAL 77 CO 0.00 0.36 1.51 -0.13 -3.33 0.00 0.00 175.10 173.51 1m5z s ARG 78 N -0.06 4.06 -0.17 1.54 0.52 -1.26 -1.45 118.95 122.14 1m5z s ARG 78 Ca 0.40 1.83 0.20 0.00 -0.52 0.00 0.00 55.73 57.64 1m5z s ARG 78 Cb -0.21 -3.93 0.41 0.00 0.52 0.00 0.00 34.95 31.74 1m5z s ARG 78 CO 0.24 -0.96 1.19 0.25 0.02 0.00 0.00 175.30 176.04 1m5z n THR 79 N 5.77 0.55 -0.04 0.02 -2.24 0.03 -4.92 114.28 113.45 1m5z n THR 79 Ca 0.17 -1.72 -0.14 0.00 -2.27 0.00 0.00 64.05 60.08 1m5z n THR 79 Cb 0.44 1.08 -0.12 0.00 -2.10 0.00 0.00 70.33 69.64 1m5z n THR 79 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1m5z h ARG 80 N 1.58 0.09 -0.88 -0.78 2.43 -0.44 -3.27 114.38 113.12 1m5z h ARG 80 Ca -0.26 -0.10 -0.19 0.00 -0.81 0.00 0.00 59.98 58.62 1m5z h ARG 80 Cb 1.48 0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 30.94 1m5z h ARG 80 CO 0.04 0.86 0.24 -0.25 -1.51 0.00 0.00 179.97 179.35 1m5z n ASP 81 N -4.60 3.74 -4.90 -3.80 8.00 -1.26 -4.05 116.55 109.67 1m5z n ASP 81 Ca -0.10 -2.84 -0.28 0.00 0.71 0.00 0.00 54.79 52.28 1m5z n ASP 81 Cb 0.45 -0.68 0.08 0.00 -0.02 0.00 0.00 41.12 40.96 1m5z n ASP 81 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1m5z s PHE 82 N -2.13 2.92 0.24 1.24 0.40 -1.23 -4.68 117.98 114.75 1m5z s PHE 82 Ca 0.36 0.65 0.07 0.00 -0.60 0.00 0.00 56.93 57.40 1m5z s PHE 82 Cb 0.29 -3.41 -0.04 0.00 0.51 0.00 0.00 43.02 40.38 1m5z s PHE 82 CO 0.08 -1.67 0.17 0.34 0.70 0.00 0.00 175.22 174.85 1m5z s ASP 83 N -4.56 5.47 0.28 1.36 -1.08 -1.26 -3.66 116.67 113.22 1m5z s ASP 83 Ca 0.62 -0.25 0.02 0.00 -0.52 0.00 0.00 52.55 52.42 1m5z s ASP 83 Cb -0.11 -1.38 0.64 0.00 -1.46 0.00 0.00 42.92 40.61 1m5z s ASP 83 CO 0.48 -0.02 1.76 0.00 0.52 0.00 0.00 175.17 177.91 1m5z n LEU 86 N -3.66 0.85 0.10 0.00 4.32 0.17 -4.11 117.00 114.68 1m5z n LEU 86 Ca -0.02 0.37 -0.17 0.00 -0.02 0.00 0.00 56.01 56.17 1m5z n LEU 86 Cb 0.19 0.16 -0.13 0.00 -1.62 0.00 0.00 43.42 42.02 1m5z n LEU 86 CO 0.29 0.41 -0.04 0.58 -1.22 0.00 0.00 177.39 177.41 1m5z h VAL 87 N 0.00 1.45 -0.13 4.08 2.07 -0.04 -2.68 116.25 121.00 1m5z h VAL 87 Ca -0.31 -2.91 0.04 0.00 0.82 0.00 0.00 66.70 64.34 1m5z h VAL 87 Cb 2.04 2.87 -0.04 0.00 -1.52 0.00 0.00 31.29 34.64 1m5z h VAL 87 CO 0.07 0.86 -0.12 0.58 0.02 0.00 0.00 177.57 178.98 1m5z h VAL 88 N 0.11 0.67 -0.17 2.57 2.07 -0.78 0.12 116.25 120.84 1m5z h VAL 88 Ca -0.14 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 1m5z h VAL 88 Cb 1.93 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1m5z h VAL 88 CO 0.21 0.00 -0.08 -0.65 0.02 0.00 0.00 177.57 177.07 1m5z h PRO 89 N -0.14 0.35 -0.50 1.57 0.11 -1.71 -2.37 132.00 129.30 1m5z h PRO 89 Ca 0.09 -0.15 0.15 0.00 0.11 0.00 0.00 66.00 66.19 1m5z h PRO 89 Cb 0.27 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 1m5z h PRO 89 CO -0.22 0.66 0.38 -0.07 -0.21 0.00 0.00 178.00 178.54 1m5z h LEU 90 N 0.03 0.00 0.05 2.35 3.38 -1.24 0.67 115.31 120.54 1m5z h LEU 90 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1m5z h LEU 90 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1m5z h LEU 90 CO 0.02 0.00 -0.02 0.40 0.09 0.00 0.00 178.44 178.93 1m5z h ILE 91 N 0.00 1.31 0.00 1.22 2.04 -0.52 -3.20 117.51 118.36 1m5z h ILE 91 Ca 0.24 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.61 1m5z h ILE 91 Cb 0.99 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.32 1m5z h ILE 91 CO -0.00 0.36 0.00 0.00 0.00 0.00 0.00 178.15 178.51 1m5z n ALA 92 N -2.50 2.43 1.10 1.87 0.00 -0.56 -3.01 120.51 119.85 1m5z n ALA 92 Ca -0.08 -0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.33 1m5z n ALA 92 Cb 0.32 -1.44 0.24 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.14 0.46 0.20 0.00 1.02 0.22 -4.03 120.64 117.37 1m5z n GLU 93 Ca 0.17 -0.30 0.14 0.00 -0.02 0.00 0.00 57.16 57.16 1m5z n GLU 93 Cb 0.15 -1.49 0.69 0.00 -0.02 0.00 0.00 31.44 30.77 1m5z n GLU 93 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1m5z h SER 94 N 0.72 0.00 0.00 1.62 0.87 -1.60 -3.46 113.55 111.70 1m5z h SER 94 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1m5z h SER 94 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1m5z h SER 94 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 1m5z n GLY 95 N -0.66 2.28 0.81 5.77 0.00 -1.26 -4.08 105.19 108.04 1m5z n GLY 95 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1m5z n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1m5z n ASN 96 N 2.69 0.00 -4.40 1.61 3.02 -1.26 -4.89 115.26 112.03 1m5z n ASN 96 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1m5z n ASN 96 Cb 0.00 0.20 -0.09 0.00 -0.61 0.00 0.00 39.78 39.28 1m5z n ASN 96 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1m5z s LYS 97 N -1.57 2.93 -0.64 3.52 1.02 -1.26 0.13 119.74 123.86 1m5z s LYS 97 Ca 0.00 -1.23 -0.18 0.00 0.02 0.00 0.00 55.97 54.59 1m5z s LYS 97 Cb 0.00 -4.01 0.13 0.00 -0.52 0.00 0.00 37.83 33.42 1m5z s LYS 97 CO 0.00 -0.90 0.71 -0.51 -0.92 0.00 0.00 175.35 173.73 1m5z s LEU 98 N 1.63 5.69 -0.30 3.17 1.43 0.12 -4.87 118.68 125.56 1m5z s LEU 98 Ca 0.04 -1.72 -0.11 0.00 -1.03 0.00 0.00 54.13 51.31 1m5z s LEU 98 Cb -0.22 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 1m5z s LEU 98 CO 0.07 -0.99 0.18 -0.62 0.23 0.00 0.00 176.35 175.22 1m5z s ASP 99 N 3.43 5.86 0.14 2.29 2.15 -1.26 -0.55 116.67 128.74 1m5z s ASP 99 Ca 0.13 -0.21 -0.09 0.00 0.43 0.00 0.00 52.55 52.80 1m5z s ASP 99 Cb -0.22 -2.08 -0.00 0.00 -0.30 0.00 0.00 42.92 40.31 1m5z s ASP 99 CO 0.02 -0.12 0.27 -1.48 -0.17 0.00 0.00 175.17 173.70 1m5z s LEU 100 N 1.71 1.04 -0.30 -1.34 0.05 0.59 -0.16 118.68 120.27 1m5z s LEU 100 Ca 0.06 -0.78 -0.02 0.00 0.05 0.00 0.00 54.13 53.45 1m5z s LEU 100 Cb -0.16 1.20 0.05 0.00 -2.05 0.00 0.00 46.19 45.23 1m5z s LEU 100 CO 0.09 -0.85 0.01 -0.69 -0.55 0.00 0.00 176.35 174.36 1m5z s VAL 101 N -3.93 2.97 0.41 1.48 1.01 -0.14 -0.15 120.40 122.05 1m5z s VAL 101 Ca 0.13 -1.43 0.08 0.00 0.00 0.00 0.00 61.98 60.75 1m5z s VAL 101 Cb 0.04 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 1m5z s VAL 101 CO -0.04 -0.14 0.45 0.27 0.00 0.00 0.00 175.10 175.64 1m5z s ILE 102 N 1.24 2.92 -0.25 2.22 -5.25 -0.87 -0.60 121.20 120.60 1m5z s ILE 102 Ca -0.05 -1.20 0.01 0.00 -0.99 0.00 0.00 60.65 58.42 1m5z s ILE 102 Cb -0.20 -3.03 0.07 0.00 2.95 0.00 0.00 42.46 42.25 1m5z s ILE 102 CO -0.01 -0.02 -0.02 -0.94 -1.79 0.00 0.00 174.94 172.16 1m5z s SER 103 N -4.20 3.93 -0.29 4.36 1.04 -0.58 0.77 113.70 118.72 1m5z s SER 103 Ca 0.50 -1.33 -0.05 0.00 0.48 0.00 0.00 55.95 55.56 1m5z s SER 103 Cb -0.06 -1.16 0.02 0.00 0.10 0.00 0.00 66.02 64.92 1m5z s SER 103 CO 0.30 -0.28 0.03 0.00 0.98 0.00 0.00 173.24 174.27 1m5z s ARG 104 N 1.39 2.85 0.85 4.02 1.04 0.13 -2.11 118.95 127.11 1m5z s ARG 104 Ca -0.02 -1.00 -0.11 0.00 -1.04 0.00 0.00 55.73 53.56 1m5z s ARG 104 Cb -0.19 -3.25 0.11 0.00 -2.04 0.00 0.00 34.95 29.58 1m5z s ARG 104 CO -0.09 -0.49 1.15 0.54 -0.04 0.00 0.00 175.30 176.37 1m5z s ASN 105 N 1.40 3.50 0.00 -2.89 4.22 -1.26 -1.85 114.94 118.06 1m5z s ASN 105 Ca 0.00 2.15 0.28 0.00 -2.14 0.00 0.00 52.86 53.15 1m5z s ASN 105 Cb -0.18 -2.56 1.66 0.00 1.28 0.00 0.00 41.25 41.45 1m5z s ASN 105 CO 0.00 -2.72 2.00 -0.81 -2.04 0.00 0.00 177.10 173.53