#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 -4.46 -1.64 -1.46 -0.04 -1.26 -4.42 135.00 121.72 1m5z n PRO 17 Ca 0.00 -1.43 0.00 0.00 -0.04 0.00 0.00 63.50 62.03 1m5z n PRO 17 Cb 0.00 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 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 -5.53 -3.89 -0.49 0.52 -1.04 -1.26 -4.87 114.28 97.72 1m5z n THR 18 Ca 0.13 1.86 -0.19 0.00 -2.04 0.00 0.00 64.05 63.81 1m5z n THR 18 Cb 0.57 -2.81 0.16 0.00 -1.82 0.00 0.00 70.33 66.43 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 -1.94 -2.53 -0.83 -2.82 -0.02 -1.26 -4.85 135.00 120.76 1m5z n PRO 19 Ca 0.00 -0.75 -0.35 0.00 -2.02 0.00 0.00 63.50 60.38 1m5z n PRO 19 Cb 0.29 -1.51 0.10 0.00 -0.02 0.00 0.00 33.50 32.36 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 -4.53 0.00 -3.97 -1.45 0.24 -1.26 -4.78 118.33 102.58 1m5z n VAL 20 Ca 0.07 -0.15 -0.24 0.00 -2.04 0.00 0.00 64.34 61.98 1m5z n VAL 20 Cb 0.36 -0.30 -0.17 0.00 -1.47 0.00 0.00 33.84 32.26 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 -2.72 1.08 0.61 7.34 2.02 -0.12 -4.81 118.70 122.10 1m5z s GLU 21 Ca 0.46 -0.11 -0.19 0.00 0.02 0.00 0.00 54.97 55.14 1m5z s GLU 21 Cb -0.00 -1.21 -0.02 0.00 0.10 0.00 0.00 34.13 33.00 1m5z s GLU 21 CO 0.65 -0.22 1.33 -0.51 0.02 0.00 0.00 175.26 176.54 1m5z s LEU 22 N 1.55 3.67 -0.29 1.80 1.43 -1.26 -1.63 118.68 123.95 1m5z s LEU 22 Ca 0.00 2.70 -0.13 0.00 -1.03 0.00 0.00 54.13 55.67 1m5z s LEU 22 Cb -0.13 -4.49 0.13 0.00 0.03 0.00 0.00 46.19 41.72 1m5z s LEU 22 CO -0.04 -1.88 0.74 -2.28 0.23 0.00 0.00 176.35 173.12 1m5z s HIS 23 N -1.35 -1.11 -0.13 0.29 5.65 0.26 -4.90 115.29 113.99 1m5z s HIS 23 Ca 0.79 2.00 -0.29 0.00 0.25 0.00 0.00 55.06 57.80 1m5z s HIS 23 Cb -0.39 0.67 -0.03 0.00 -1.18 0.00 0.00 32.58 31.64 1m5z s HIS 23 CO 0.43 -0.55 1.45 0.21 -0.65 0.00 0.00 174.74 175.63 1m5z s LYS 24 N 2.44 4.15 0.09 2.88 2.20 -1.26 -2.14 119.74 128.10 1m5z s LYS 24 Ca -0.06 1.84 0.09 0.00 -0.36 0.00 0.00 55.97 57.48 1m5z s LYS 24 Cb -0.09 -3.88 -0.04 0.00 -1.51 0.00 0.00 37.83 32.31 1m5z s LYS 24 CO -0.19 -0.84 -0.21 0.08 -0.36 0.00 0.00 175.35 173.83 1m5z s VAL 25 N 3.93 2.62 -0.23 4.02 1.01 0.11 -4.99 120.40 126.87 1m5z s VAL 25 Ca 0.64 -1.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 1m5z s VAL 25 Cb -0.26 -2.15 0.07 0.00 0.00 0.00 0.00 36.38 34.04 1m5z s VAL 25 CO 0.22 0.19 0.06 -0.89 0.00 0.00 0.00 175.10 174.68 1m5z s THR 26 N -1.03 0.54 0.48 3.92 2.01 -1.25 -0.31 115.64 120.00 1m5z s THR 26 Ca 0.16 -0.76 0.09 0.00 0.31 0.00 0.00 61.69 61.48 1m5z s THR 26 Cb -0.10 -1.16 0.04 0.00 0.01 0.00 0.00 72.50 71.28 1m5z s THR 26 CO 0.07 -0.36 0.63 -0.76 -0.69 0.00 0.00 174.62 173.51 1m5z s LEU 27 N 1.83 3.38 0.22 4.42 1.43 -0.14 -4.63 118.68 125.20 1m5z s LEU 27 Ca 0.02 -0.65 0.03 0.00 -1.03 0.00 0.00 54.13 52.50 1m5z s LEU 27 Cb -0.17 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 1m5z s LEU 27 CO -0.15 -0.99 0.02 -0.31 0.23 0.00 0.00 176.35 175.15 1m5z s TYR 28 N -2.50 1.48 0.13 0.29 1.51 -1.26 0.14 117.35 117.14 1m5z s TYR 28 Ca 0.56 -0.99 0.03 0.00 -1.01 0.00 0.00 57.07 55.66 1m5z s TYR 28 Cb -0.07 -0.86 -0.04 0.00 -0.11 0.00 0.00 41.96 40.87 1m5z s TYR 28 CO 0.34 -0.13 -0.06 0.21 -1.11 0.00 0.00 175.55 174.80 1m5z s LYS 29 N -3.91 0.98 0.06 -0.62 2.36 -0.52 -4.73 119.74 113.36 1m5z s LYS 29 Ca 0.29 -1.42 0.05 0.00 -2.55 0.00 0.00 55.97 52.34 1m5z s LYS 29 Cb 0.06 -0.37 -0.03 0.00 -1.05 0.00 0.00 37.83 36.45 1m5z s LYS 29 CO 0.08 -0.01 -0.15 -0.51 1.55 0.00 0.00 175.35 176.31 1m5z s ASP 30 N -3.12 1.82 0.59 1.43 1.11 -1.26 -4.88 116.67 112.36 1m5z s ASP 30 Ca 0.16 -0.56 0.30 0.00 0.18 0.00 0.00 52.55 52.63 1m5z s ASP 30 Cb 0.05 -0.09 1.75 0.00 1.07 0.00 0.00 42.92 45.69 1m5z s ASP 30 CO -0.01 -0.00 2.17 0.28 1.18 0.00 0.00 175.17 178.78 1m5z h SER 31 N 4.55 0.00 0.46 0.27 0.02 -2.02 -0.36 113.55 116.48 1m5z h SER 31 Ca -0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1m5z h SER 31 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1m5z h SER 31 CO 0.42 0.00 -1.01 0.61 -1.14 0.00 0.00 176.83 175.70 1m5z n GLY 32 N -1.36 -1.22 3.79 -3.77 0.00 -1.26 -4.92 105.19 96.45 1m5z n GLY 32 Ca -0.00 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.20 4.47 0.00 1.61 -1.94 -0.15 -4.97 119.30 115.14 1m5z s MET 33 Ca 0.04 1.20 0.24 0.00 -1.71 0.00 0.00 55.69 55.46 1m5z s MET 33 Cb 0.14 -2.75 0.37 0.00 2.01 0.00 0.00 34.83 34.60 1m5z s MET 33 CO 0.80 0.27 1.32 -1.91 -0.01 0.00 0.00 175.02 175.49 1m5z n GLU 34 N 0.47 0.01 -0.97 2.03 2.13 -1.26 -4.75 120.64 118.30 1m5z n GLU 34 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1m5z n GLU 34 Cb 0.51 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.71 1m5z n GLU 34 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1m5z n ASP 35 N -1.52 0.00 -1.78 4.31 5.75 -1.26 -5.03 116.55 117.02 1m5z n ASP 35 Ca 0.05 -0.75 -0.05 0.00 -0.01 0.00 0.00 54.79 54.03 1m5z n ASP 35 Cb 0.34 0.00 0.25 0.00 -1.03 0.00 0.00 41.12 40.67 1m5z n ASP 35 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1m5z n PHE 36 N 0.00 2.02 -0.97 2.11 3.01 -1.26 -4.66 117.46 117.70 1m5z n PHE 36 Ca 0.00 -1.02 0.00 0.00 1.01 0.00 0.00 57.45 57.44 1m5z n PHE 36 Cb 0.00 -0.60 0.00 0.00 -0.01 0.00 0.00 39.48 38.87 1m5z n PHE 36 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1m5z n GLY 37 N -0.08 0.44 3.48 1.37 0.00 -1.26 -3.13 105.19 106.01 1m5z n GLY 37 Ca 0.33 -0.73 0.01 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 -0.49 0.33 1.61 -0.71 -1.26 -0.56 117.98 114.91 1m5z s PHE 38 Ca 0.00 0.90 -0.08 0.00 -1.04 0.00 0.00 56.93 56.71 1m5z s PHE 38 Cb 0.00 0.29 -0.06 0.00 -1.21 0.00 0.00 43.02 42.04 1m5z s PHE 38 CO 0.00 -0.24 0.64 -1.12 -1.34 0.00 0.00 175.22 173.16 1m5z s SER 39 N 1.87 6.51 0.34 1.98 0.01 0.70 -4.94 113.70 120.17 1m5z s SER 39 Ca -0.05 0.92 0.07 0.00 1.31 0.00 0.00 55.95 58.21 1m5z s SER 39 Cb -0.04 -2.23 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 1m5z s SER 39 CO -0.16 -0.26 0.30 0.68 0.41 0.00 0.00 173.24 174.21 1m5z s VAL 40 N -2.16 3.45 0.47 3.43 -7.23 -1.26 0.13 120.40 117.22 1m5z s VAL 40 Ca 0.47 -1.38 0.02 0.00 -1.81 0.00 0.00 61.98 59.29 1m5z s VAL 40 Cb -0.11 -3.16 -0.02 0.00 0.56 0.00 0.00 36.38 33.65 1m5z s VAL 40 CO 0.29 -0.16 0.06 0.00 -0.31 0.00 0.00 175.10 174.98 1m5z s ALA 41 N -2.32 3.60 -0.11 1.32 0.00 0.46 -4.36 121.76 120.35 1m5z s ALA 41 Ca 0.41 -0.77 -0.04 0.00 0.00 0.00 0.00 51.96 51.56 1m5z s ALA 41 Cb -0.05 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 1m5z s ALA 41 CO 0.27 -0.16 0.06 0.34 0.00 0.00 0.00 175.76 176.27 1m5z s ASP 42 N -3.76 5.74 -0.26 0.00 2.15 -1.26 -2.54 116.67 116.74 1m5z s ASP 42 Ca 0.14 0.27 -0.06 0.00 0.43 0.00 0.00 52.55 53.32 1m5z s ASP 42 Cb 0.02 -1.76 -0.01 0.00 -0.30 0.00 0.00 42.92 40.87 1m5z s ASP 42 CO 0.08 0.37 0.05 -0.83 -0.17 0.00 0.00 175.17 174.67 1m5z s GLY 43 N -0.83 1.74 -0.08 2.66 0.00 0.26 -4.89 107.32 106.18 1m5z s GLY 43 Ca 0.13 -1.23 0.16 0.00 0.00 0.00 0.00 44.72 43.78 1m5z s GLY 43 CO 0.03 0.54 0.46 1.04 0.00 0.00 0.00 173.10 175.17 1m5z n LEU 44 N 4.88 0.48 -0.05 0.66 4.32 -1.26 -1.72 117.00 124.31 1m5z n LEU 44 Ca -0.16 0.22 0.14 0.00 -0.02 0.00 0.00 56.01 56.19 1m5z n LEU 44 Cb 0.50 0.26 0.52 0.00 -1.62 0.00 0.00 43.42 43.08 1m5z n LEU 44 CO 0.31 0.36 0.79 -0.11 -1.22 0.00 0.00 177.39 177.51 1m5z n LEU 45 N -2.85 0.34 -0.91 2.23 7.94 -1.26 -4.06 117.00 118.44 1m5z n LEU 45 Ca -0.21 0.15 -0.01 0.00 -1.11 0.00 0.00 56.01 54.83 1m5z n LEU 45 Cb 1.02 -0.29 -0.01 0.00 0.53 0.00 0.00 43.42 44.66 1m5z n LEU 45 CO 0.44 0.07 0.23 -0.62 -1.11 0.00 0.00 177.39 176.40 1m5z n GLU 46 N -1.26 0.00 -3.56 1.96 -0.58 -1.26 -5.04 120.64 110.90 1m5z n GLU 46 Ca 0.10 -1.04 -0.13 0.00 -0.42 0.00 0.00 57.16 55.67 1m5z n GLU 46 Cb 0.31 0.03 0.00 0.00 -0.57 0.00 0.00 31.44 31.21 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 0.13 -0.70 -0.70 3.49 4.76 -0.70 -4.85 118.16 119.60 1m5z n LYS 47 Ca -0.06 -0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.21 1m5z n LYS 47 Cb 0.78 -0.29 0.00 0.00 -1.84 0.00 0.00 35.03 33.68 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 -1.17 3.68 2.97 0.72 0.00 -1.02 -4.23 105.19 106.14 1m5z n GLY 48 Ca -0.06 -1.23 -0.21 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.17 0.75 0.03 1.61 1.01 -1.23 0.90 120.40 121.30 1m5z s VAL 49 Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1m5z s VAL 49 Cb 0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 1m5z s VAL 49 CO 0.00 0.26 -0.10 -0.31 0.00 0.00 0.00 175.10 174.95 1m5z s TYR 50 N 0.54 0.87 -0.10 5.22 2.02 -1.05 -3.17 117.35 121.67 1m5z s TYR 50 Ca -0.09 -0.34 -0.38 0.00 -0.37 0.00 0.00 57.07 55.89 1m5z s TYR 50 Cb -0.12 -0.52 -0.16 0.00 -0.40 0.00 0.00 41.96 40.76 1m5z s TYR 50 CO 0.01 -0.01 1.60 0.28 -1.57 0.00 0.00 175.55 175.85 1m5z n VAL 51 N 1.99 0.20 -0.00 0.71 0.31 -1.18 0.17 118.33 120.54 1m5z n VAL 51 Ca -0.18 -0.04 -0.09 0.00 -0.01 0.00 0.00 64.34 64.02 1m5z n VAL 51 Cb 0.55 -1.15 -0.14 0.00 -0.91 0.00 0.00 33.84 32.20 1m5z n VAL 51 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1m5z h LYS 52 N 6.33 0.02 -1.41 5.55 1.63 0.93 -0.86 116.57 128.77 1m5z h LYS 52 Ca -0.47 -0.03 0.27 0.00 -0.85 0.00 0.00 60.65 59.57 1m5z h LYS 52 Cb 1.32 0.01 -0.18 0.00 -0.60 0.00 0.00 32.23 32.77 1m5z h LYS 52 CO 0.89 0.63 0.84 0.54 -3.45 0.00 0.00 179.45 178.89 1m5z s ASN 53 N -6.26 -0.11 0.01 4.20 2.20 -0.96 -4.90 114.94 109.12 1m5z s ASN 53 Ca -0.05 -0.01 0.05 0.00 -0.94 0.00 0.00 52.86 51.92 1m5z s ASN 53 Cb 0.08 0.13 -0.02 0.00 -2.00 0.00 0.00 41.25 39.44 1m5z s ASN 53 CO 0.82 -0.21 -0.16 -0.63 -2.94 0.00 0.00 177.10 173.99 1m5z s ILE 54 N -2.36 1.27 0.53 0.54 1.01 -1.26 -0.22 121.20 120.71 1m5z s ILE 54 Ca 0.10 -0.87 -0.21 0.00 0.00 0.00 0.00 60.65 59.67 1m5z s ILE 54 Cb -0.00 -1.10 -0.05 0.00 0.01 0.00 0.00 42.46 41.32 1m5z s ILE 54 CO -0.04 0.21 1.24 -0.13 0.00 0.00 0.00 174.94 176.22 1m5z s ARG 55 N -0.76 3.29 -0.64 2.79 0.52 0.28 -4.91 118.95 119.53 1m5z s ARG 55 Ca 0.05 1.94 -0.27 0.00 -0.52 0.00 0.00 55.73 56.94 1m5z s ARG 55 Cb -0.07 -2.20 -0.01 0.00 0.52 0.00 0.00 34.95 33.19 1m5z s ARG 55 CO 0.00 -0.98 1.75 -1.25 0.02 0.00 0.00 175.30 174.84 1m5z s PRO 56 N -2.98 2.74 0.00 3.54 0.04 -1.26 -2.69 135.00 134.39 1m5z s PRO 56 Ca 0.71 0.45 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1m5z s PRO 56 Cb -0.33 -4.35 0.00 0.00 0.04 0.00 0.00 34.50 29.86 1m5z s PRO 56 CO 0.38 -2.61 0.00 0.00 0.04 0.00 0.00 177.00 174.81 1m5z n ALA 57 N 12.08 0.00 -2.93 8.56 0.00 -1.26 -5.07 120.51 131.89 1m5z n ALA 57 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.37 1m5z n ALA 57 Cb 0.51 -0.42 0.08 0.00 0.00 0.00 0.00 19.45 19.62 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 -1.12 1.62 0.40 0.00 0.00 -1.09 -4.89 105.19 100.10 1m5z n GLY 58 Ca 0.00 -2.17 0.22 0.00 0.00 0.00 0.00 46.02 44.06 1m5z n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m5z h PRO 59 N 0.00 0.00 -0.20 1.61 0.13 -1.84 -0.78 132.00 130.92 1m5z h PRO 59 Ca -0.28 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 1m5z h PRO 59 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1m5z h PRO 59 CO 0.37 0.00 0.06 0.78 -0.23 0.00 0.00 178.00 178.98 1m5z h GLY 60 N 0.00 0.34 1.76 1.56 0.00 -1.66 0.63 103.07 105.70 1m5z h GLY 60 Ca 0.28 -0.20 -0.15 0.00 0.00 0.00 0.00 47.33 47.26 1m5z h GLY 60 CO -0.00 0.19 -0.62 -0.55 0.00 0.00 0.00 176.54 175.55 1m5z h ASP 61 N 0.15 0.28 0.73 0.19 3.32 -1.49 -2.54 116.42 117.06 1m5z h ASP 61 Ca 0.06 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 56.82 1m5z h ASP 61 Cb 0.24 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1m5z h ASP 61 CO -0.00 0.83 -0.62 -0.07 -1.72 0.00 0.00 179.24 177.66 1m5z h LEU 62 N 0.18 0.00 -0.04 1.55 3.38 -0.99 -3.26 115.31 116.13 1m5z h LEU 62 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1m5z h LEU 62 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1m5z h LEU 62 CO 0.10 0.62 -0.09 1.23 0.09 0.00 0.00 178.44 180.39 1m5z h GLY 63 N 2.08 0.15 0.00 0.83 0.00 0.48 -3.48 103.07 103.13 1m5z h GLY 63 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1m5z h GLY 63 CO 0.08 0.16 0.00 0.61 0.00 0.00 0.00 176.54 177.39 1m5z n GLY 64 N 0.45 0.55 3.63 4.60 0.00 -0.98 -4.65 105.19 108.80 1m5z n GLY 64 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 1m5z n GLY 64 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1m5z s LEU 65 N 0.00 3.22 0.34 0.99 0.05 -1.11 -5.04 118.68 117.13 1m5z s LEU 65 Ca 0.00 -0.37 0.07 0.00 0.05 0.00 0.00 54.13 53.88 1m5z s LEU 65 Cb 0.00 -1.94 -0.03 0.00 -2.05 0.00 0.00 46.19 42.17 1m5z s LEU 65 CO 0.00 0.14 0.26 -0.54 -0.55 0.00 0.00 176.35 175.65 1m5z s LYS 66 N -2.57 1.78 0.43 1.48 1.02 -1.26 -4.33 119.74 116.29 1m5z s LYS 66 Ca 0.25 -2.04 -0.23 0.00 0.02 0.00 0.00 55.97 53.96 1m5z s LYS 66 Cb -0.10 0.19 -0.11 0.00 -0.52 0.00 0.00 37.83 37.28 1m5z s LYS 66 CO 0.17 -0.63 0.79 -2.30 -0.92 0.00 0.00 175.35 172.46 1m5z n PRO 67 N -0.67 0.94 0.00 -1.68 -0.02 -1.26 -2.02 135.00 130.29 1m5z n PRO 67 Ca 0.05 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1m5z n PRO 67 Cb 0.63 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 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 -0.73 0.00 -1.44 6.00 4.01 -0.33 -4.86 117.16 119.81 1m5z n TYR 68 Ca 0.11 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.73 1m5z n TYR 68 Cb 0.39 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.33 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 0.40 -4.55 7.72 9.92 -0.86 -4.39 116.55 124.79 1m5z n ASP 69 Ca 0.00 -1.78 -0.37 0.00 -0.53 0.00 0.00 54.79 52.11 1m5z n ASP 69 Cb 0.00 -1.33 -0.03 0.00 -0.64 0.00 0.00 41.12 39.11 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 7.73 2.51 -0.33 -1.24 3.52 -0.75 -3.08 118.95 127.31 1m5z s ARG 70 Ca 0.74 0.73 -0.28 0.00 -0.13 0.00 0.00 55.73 56.79 1m5z s ARG 70 Cb -0.16 -4.45 -0.04 0.00 -1.56 0.00 0.00 34.95 28.74 1m5z s ARG 70 CO 0.17 -2.87 2.03 -0.51 -0.81 0.00 0.00 175.30 173.31 1m5z s LEU 71 N 9.75 3.45 -0.13 -0.88 1.02 -1.19 -1.06 118.68 129.64 1m5z s LEU 71 Ca 0.73 1.42 -0.12 0.00 0.02 0.00 0.00 54.13 56.18 1m5z s LEU 71 Cb -0.13 -3.32 -0.09 0.00 0.02 0.00 0.00 46.19 42.67 1m5z s LEU 71 CO 0.21 -2.00 0.17 -0.07 0.02 0.00 0.00 176.35 174.69 1m5z h LEU 72 N 15.12 0.00 -7.34 1.79 3.38 -0.10 -3.18 115.31 124.98 1m5z h LEU 72 Ca -0.35 -0.30 -0.44 0.00 0.09 0.00 0.00 57.88 56.88 1m5z h LEU 72 Cb 1.21 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.56 1m5z h LEU 72 CO 1.03 0.80 -0.76 0.00 0.09 0.00 0.00 178.44 179.61 1m5z s GLN 73 N -1.97 0.37 -0.47 1.13 -2.07 -1.15 0.40 119.66 115.91 1m5z s GLN 73 Ca -0.12 0.05 -0.23 0.00 -1.82 0.00 0.00 55.36 53.25 1m5z s GLN 73 Cb 0.00 -1.20 0.03 0.00 -1.09 0.00 0.00 33.01 30.75 1m5z s GLN 73 CO 0.29 -0.43 0.77 0.08 -1.32 0.00 0.00 175.29 174.69 1m5z s VAL 74 N 2.02 4.66 0.00 3.63 1.01 -0.31 -0.94 120.40 130.47 1m5z s VAL 74 Ca 0.03 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1m5z s VAL 74 Cb -0.14 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.91 1m5z s VAL 74 CO -0.06 -0.76 0.00 -3.20 0.00 0.00 0.00 175.10 171.08 1m5z n ASN 75 N 6.71 0.00 0.00 3.32 2.85 0.29 -2.17 115.26 126.26 1m5z n ASN 75 Ca 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1m5z n ASN 75 Cb 0.48 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.50 1m5z n ASN 75 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1m5z n HIS 76 N 0.00 0.00 -2.95 1.20 1.44 -1.26 -4.99 115.22 108.66 1m5z n HIS 76 Ca 0.00 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.31 1m5z n HIS 76 Cb 0.00 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.07 1m5z n HIS 76 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1m5z s VAL 77 N 0.00 4.99 -0.98 0.61 1.01 -0.92 -4.97 120.40 120.13 1m5z s VAL 77 Ca 0.00 1.61 -0.24 0.00 0.00 0.00 0.00 61.98 63.35 1m5z s VAL 77 Cb 0.00 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.20 1m5z s VAL 77 CO 0.00 0.20 1.94 -0.13 0.00 0.00 0.00 175.10 177.12 1m5z s ARG 78 N 1.01 2.53 -0.31 2.72 1.81 -1.26 -1.16 118.95 124.29 1m5z s ARG 78 Ca 0.41 -0.54 0.06 0.00 -1.72 0.00 0.00 55.73 53.94 1m5z s ARG 78 Cb -0.18 -5.11 0.60 0.00 -0.45 0.00 0.00 34.95 29.80 1m5z s ARG 78 CO 0.20 -3.55 1.68 0.25 -0.68 0.00 0.00 175.30 173.19 1m5z n THR 79 N 7.86 2.63 -0.02 0.02 -2.24 0.12 -4.40 114.28 118.25 1m5z n THR 79 Ca 0.41 -1.43 -0.16 0.00 -2.27 0.00 0.00 64.05 60.61 1m5z n THR 79 Cb 0.47 -0.48 -0.11 0.00 -2.10 0.00 0.00 70.33 68.11 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 1.69 0.27 -0.72 -0.78 1.12 -0.03 -3.22 114.38 112.71 1m5z h ARG 80 Ca 0.34 -0.26 0.00 0.00 -1.11 0.00 0.00 59.98 58.95 1m5z h ARG 80 Cb 2.26 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 32.28 1m5z h ARG 80 CO 0.73 0.95 0.00 -0.25 -3.11 0.00 0.00 179.97 178.29 1m5z n ASP 81 N -4.43 3.91 -4.81 -3.80 8.00 -1.26 -3.56 116.55 110.60 1m5z n ASP 81 Ca -0.09 -2.55 -0.28 0.00 0.71 0.00 0.00 54.79 52.57 1m5z n ASP 81 Cb 0.53 -0.60 0.09 0.00 -0.02 0.00 0.00 41.12 41.13 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 -2.07 2.74 0.23 1.24 0.40 -1.22 -4.72 117.98 114.59 1m5z s PHE 82 Ca 0.34 0.57 0.06 0.00 -0.60 0.00 0.00 56.93 57.31 1m5z s PHE 82 Cb 0.26 -3.47 -0.04 0.00 0.51 0.00 0.00 43.02 40.29 1m5z s PHE 82 CO 0.11 -1.77 0.20 0.34 0.70 0.00 0.00 175.22 174.80 1m5z s ASP 83 N -4.60 5.60 0.28 1.36 -1.08 -1.26 -3.68 116.67 113.29 1m5z s ASP 83 Ca 0.63 -0.19 0.03 0.00 -0.52 0.00 0.00 52.55 52.49 1m5z s ASP 83 Cb -0.10 -1.46 0.65 0.00 -1.46 0.00 0.00 42.92 40.56 1m5z s ASP 83 CO 0.48 -0.01 1.76 0.00 0.52 0.00 0.00 175.17 177.92 1m5z n LEU 86 N -3.27 0.50 0.10 0.00 4.32 0.19 -4.11 117.00 114.72 1m5z n LEU 86 Ca -0.01 0.23 -0.16 0.00 -0.02 0.00 0.00 56.01 56.05 1m5z n LEU 86 Cb 0.21 0.31 -0.11 0.00 -1.62 0.00 0.00 43.42 42.21 1m5z n LEU 86 CO 0.26 0.44 0.01 0.58 -1.22 0.00 0.00 177.39 177.46 1m5z h VAL 87 N 0.00 1.44 0.04 4.08 2.07 0.08 -2.61 116.25 121.35 1m5z h VAL 87 Ca -0.40 -2.81 0.01 0.00 0.82 0.00 0.00 66.70 64.31 1m5z h VAL 87 Cb 2.12 2.78 -0.01 0.00 -1.52 0.00 0.00 31.29 34.66 1m5z h VAL 87 CO 0.06 0.83 -0.06 0.58 0.02 0.00 0.00 177.57 179.00 1m5z h VAL 88 N 0.14 0.85 -0.11 2.57 2.07 -0.97 -0.20 116.25 120.60 1m5z h VAL 88 Ca -0.13 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1m5z h VAL 88 Cb 1.86 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1m5z h VAL 88 CO 0.20 0.00 -0.02 -0.65 0.02 0.00 0.00 177.57 177.12 1m5z h PRO 89 N -0.13 0.20 -0.51 1.57 0.11 -1.71 -2.24 132.00 129.30 1m5z h PRO 89 Ca 0.01 -0.08 0.15 0.00 0.11 0.00 0.00 66.00 66.19 1m5z h PRO 89 Cb 0.14 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 1m5z h PRO 89 CO -0.03 0.51 0.36 -0.07 -0.21 0.00 0.00 178.00 178.56 1m5z h LEU 90 N -0.11 0.00 -0.04 2.35 3.38 -1.39 0.56 115.31 120.06 1m5z h LEU 90 Ca 0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1m5z h LEU 90 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1m5z h LEU 90 CO 0.01 0.00 -0.30 0.40 0.09 0.00 0.00 178.44 178.64 1m5z h ILE 91 N 0.00 1.47 -0.00 1.22 2.04 -0.78 -3.12 117.51 118.33 1m5z h ILE 91 Ca 0.24 -1.80 0.00 0.00 1.00 0.00 0.00 64.86 64.30 1m5z h ILE 91 Cb 0.97 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 1m5z h ILE 91 CO -0.00 0.51 -0.02 0.00 0.00 0.00 0.00 178.15 178.64 1m5z n ALA 92 N -2.52 2.59 0.45 1.87 0.00 -0.39 -3.26 120.51 119.25 1m5z n ALA 92 Ca -0.09 -0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.28 1m5z n ALA 92 Cb 0.50 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.13 0.36 0.19 0.00 1.02 0.18 -4.08 120.64 117.18 1m5z n GLU 93 Ca 0.17 -0.02 0.14 0.00 -0.02 0.00 0.00 57.16 57.43 1m5z n GLU 93 Cb 0.21 -1.60 0.64 0.00 -0.02 0.00 0.00 31.44 30.67 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 0.00 0.00 0.00 1.62 0.87 -1.52 -3.48 113.55 111.03 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 0.79 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 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 -0.60 0.85 0.25 5.77 0.00 -1.26 -4.20 105.19 106.00 1m5z n GLY 95 Ca -0.00 -1.56 0.15 0.00 0.00 0.00 0.00 46.02 44.61 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 1.29 0.00 -4.10 1.61 -0.26 -1.93 -3.42 115.58 108.78 1m5z h ASN 96 Ca 0.00 0.00 -0.47 0.00 -0.56 0.00 0.00 56.30 55.27 1m5z h ASN 96 Cb 0.00 0.00 -0.20 0.00 -1.06 0.00 0.00 38.32 37.06 1m5z h ASN 96 CO 0.00 0.03 -0.79 -0.54 -1.06 0.00 0.00 177.43 175.07 1m5z s LYS 97 N -3.49 1.05 -0.32 0.81 1.02 -1.26 -1.44 119.74 116.11 1m5z s LYS 97 Ca 0.03 -1.18 -0.02 0.00 0.02 0.00 0.00 55.97 54.82 1m5z s LYS 97 Cb 0.08 -1.10 0.11 0.00 -0.52 0.00 0.00 37.83 36.40 1m5z s LYS 97 CO 0.60 0.23 0.14 -1.17 -0.92 0.00 0.00 175.35 174.23 1m5z s LEU 98 N -2.17 1.49 -0.29 3.17 0.20 0.12 -4.60 118.68 116.59 1m5z s LEU 98 Ca 0.07 -1.67 -0.19 0.00 0.69 0.00 0.00 54.13 53.03 1m5z s LEU 98 Cb -0.08 -0.63 -0.02 0.00 -0.43 0.00 0.00 46.19 45.04 1m5z s LEU 98 CO 0.04 -0.40 0.55 -1.81 -0.29 0.00 0.00 176.35 174.44 1m5z s ASP 99 N 1.61 6.43 0.13 3.68 1.11 -1.26 -0.96 116.67 127.40 1m5z s ASP 99 Ca 0.11 0.37 -0.08 0.00 0.18 0.00 0.00 52.55 53.14 1m5z s ASP 99 Cb -0.18 -2.29 -0.01 0.00 1.07 0.00 0.00 42.92 41.51 1m5z s ASP 99 CO -0.24 -0.39 0.22 -1.48 1.18 0.00 0.00 175.17 174.46 1m5z s LEU 100 N 2.43 1.24 -0.32 1.23 0.05 0.58 0.11 118.68 123.99 1m5z s LEU 100 Ca 0.22 -0.81 -0.03 0.00 0.05 0.00 0.00 54.13 53.56 1m5z s LEU 100 Cb -0.15 1.04 0.05 0.00 -2.05 0.00 0.00 46.19 45.08 1m5z s LEU 100 CO 0.11 -0.81 0.05 -0.69 -0.55 0.00 0.00 176.35 174.46 1m5z s VAL 101 N -3.93 3.27 0.40 1.48 1.01 -0.12 0.04 120.40 122.56 1m5z s VAL 101 Ca 0.12 -1.36 0.08 0.00 0.00 0.00 0.00 61.98 60.82 1m5z s VAL 101 Cb 0.04 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1m5z s VAL 101 CO -0.05 -0.18 0.30 0.27 0.00 0.00 0.00 175.10 175.44 1m5z s ILE 102 N 1.29 2.66 -0.22 2.22 -5.25 -0.91 0.61 121.20 121.59 1m5z s ILE 102 Ca -0.03 -1.47 -0.03 0.00 -0.99 0.00 0.00 60.65 58.12 1m5z s ILE 102 Cb -0.20 -3.01 0.07 0.00 2.95 0.00 0.00 42.46 42.27 1m5z s ILE 102 CO -0.00 -0.03 0.07 -0.94 -1.79 0.00 0.00 174.94 172.25 1m5z s SER 103 N -4.03 3.05 -0.09 4.36 1.04 -0.22 0.89 113.70 118.70 1m5z s SER 103 Ca 0.45 -0.97 0.01 0.00 0.48 0.00 0.00 55.95 55.92 1m5z s SER 103 Cb -0.01 -0.52 -0.02 0.00 0.10 0.00 0.00 66.02 65.56 1m5z s SER 103 CO 0.26 -0.35 -0.12 0.00 0.98 0.00 0.00 173.24 174.01 1m5z s ARG 104 N 1.92 2.91 -0.12 4.02 1.70 -0.65 -1.81 118.95 126.92 1m5z s ARG 104 Ca 0.03 -0.65 -0.16 0.00 -0.47 0.00 0.00 55.73 54.47 1m5z s ARG 104 Cb -0.17 -2.53 -0.05 0.00 -0.57 0.00 0.00 34.95 31.64 1m5z s ARG 104 CO -0.15 0.48 0.40 0.54 -1.08 0.00 0.00 175.30 175.49 1m5z s ASN 105 N -0.33 6.61 0.00 -2.89 4.22 -1.26 -0.95 114.94 120.35 1m5z s ASN 105 Ca 0.03 0.73 0.18 0.00 -2.14 0.00 0.00 52.86 51.66 1m5z s ASN 105 Cb -0.13 -2.25 1.05 0.00 1.28 0.00 0.00 41.25 41.21 1m5z s ASN 105 CO 0.02 0.08 1.45 -2.65 -2.04 0.00 0.00 177.10 173.96