#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m5z h PRO 17 N 0.00 0.00 -2.92 4.33 0.11 -2.04 -3.42 132.00 128.06 1m5z h PRO 17 Ca 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 1m5z h PRO 17 Cb 0.00 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 30.89 1m5z h PRO 17 CO 0.00 0.00 -0.27 0.99 -0.21 0.00 0.00 178.00 178.51 1m5z s THR 18 N -4.01 0.03 0.13 -1.15 2.01 -1.26 -5.17 115.64 106.22 1m5z s THR 18 Ca -0.04 -0.26 -0.02 0.00 0.31 0.00 0.00 61.69 61.68 1m5z s THR 18 Cb 0.11 -0.58 0.03 0.00 0.01 0.00 0.00 72.50 72.07 1m5z s THR 18 CO 0.35 -0.14 0.06 -2.65 -0.69 0.00 0.00 174.62 171.55 1m5z n PRO 19 N 1.94 -0.85 -1.56 4.92 -0.02 -1.26 -4.56 135.00 133.60 1m5z n PRO 19 Ca -0.18 -0.11 -0.54 0.00 -2.02 0.00 0.00 63.50 60.65 1m5z n PRO 19 Cb 0.57 -0.18 -0.07 0.00 -0.02 0.00 0.00 33.50 33.80 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 -2.91 0.00 -3.82 -1.45 0.24 -1.26 -4.63 118.33 104.51 1m5z n VAL 20 Ca 0.01 -0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.95 1m5z n VAL 20 Cb 0.04 -0.56 -0.12 0.00 -1.47 0.00 0.00 33.84 31.73 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 0.40 3.72 0.12 7.34 -6.30 0.27 -4.67 118.70 119.58 1m5z s GLU 21 Ca 0.87 -0.45 0.02 0.00 -2.50 0.00 0.00 54.97 52.91 1m5z s GLU 21 Cb -1.06 -3.31 -0.04 0.00 0.00 0.00 0.00 34.13 29.72 1m5z s GLU 21 CO 0.51 -0.10 0.25 -0.48 0.02 0.00 0.00 175.26 175.46 1m5z s LEU 22 N 1.37 4.32 0.02 2.70 0.05 -1.25 -1.04 118.68 124.85 1m5z s LEU 22 Ca 0.05 0.19 -0.07 0.00 0.05 0.00 0.00 54.13 54.35 1m5z s LEU 22 Cb -0.15 -2.90 -0.00 0.00 -2.05 0.00 0.00 46.19 41.09 1m5z s LEU 22 CO 0.04 0.10 0.14 -1.38 -0.55 0.00 0.00 176.35 174.69 1m5z s HIS 23 N -1.66 0.08 -0.61 3.48 -3.43 -0.15 -4.95 115.29 108.06 1m5z s HIS 23 Ca 0.34 -0.26 -0.28 0.00 -0.80 0.00 0.00 55.06 54.07 1m5z s HIS 23 Cb -0.12 -0.07 0.02 0.00 -1.43 0.00 0.00 32.58 30.99 1m5z s HIS 23 CO 0.28 -0.34 1.30 0.21 -2.00 0.00 0.00 174.74 174.19 1m5z s LYS 24 N -1.94 3.35 -0.02 -0.38 2.20 -1.26 -2.10 119.74 119.58 1m5z s LYS 24 Ca -0.10 0.21 -0.05 0.00 -0.36 0.00 0.00 55.97 55.68 1m5z s LYS 24 Cb -0.05 -4.10 -0.04 0.00 -1.51 0.00 0.00 37.83 32.13 1m5z s LYS 24 CO -0.01 -1.90 0.20 0.08 -0.36 0.00 0.00 175.35 173.36 1m5z s VAL 25 N 5.59 5.41 -0.23 4.02 1.01 0.21 -4.94 120.40 131.46 1m5z s VAL 25 Ca 0.45 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.41 1m5z s VAL 25 Cb -0.09 -3.53 0.07 0.00 0.00 0.00 0.00 36.38 32.84 1m5z s VAL 25 CO 0.23 0.39 0.07 -0.89 0.00 0.00 0.00 175.10 174.89 1m5z s THR 26 N -1.27 0.48 0.50 3.92 2.01 -1.26 0.15 115.64 120.18 1m5z s THR 26 Ca 0.25 -0.75 0.08 0.00 0.31 0.00 0.00 61.69 61.58 1m5z s THR 26 Cb -0.13 -1.14 0.03 0.00 0.01 0.00 0.00 72.50 71.28 1m5z s THR 26 CO 0.15 -0.39 0.52 -0.76 -0.69 0.00 0.00 174.62 173.45 1m5z s LEU 27 N 1.86 3.11 0.11 4.42 1.02 0.47 -4.81 118.68 124.86 1m5z s LEU 27 Ca 0.03 -0.91 0.05 0.00 0.02 0.00 0.00 54.13 53.31 1m5z s LEU 27 Cb -0.17 -1.71 -0.04 0.00 0.02 0.00 0.00 46.19 44.30 1m5z s LEU 27 CO -0.16 -1.00 -0.11 -0.31 0.02 0.00 0.00 176.35 174.79 1m5z s TYR 28 N -2.61 1.21 0.12 0.29 1.51 -1.26 0.19 117.35 116.80 1m5z s TYR 28 Ca 0.48 -0.64 0.10 0.00 -1.01 0.00 0.00 57.07 56.00 1m5z s TYR 28 Cb -0.04 -0.64 -0.04 0.00 -0.11 0.00 0.00 41.96 41.13 1m5z s TYR 28 CO 0.29 0.07 -0.23 0.21 -1.11 0.00 0.00 175.55 174.77 1m5z s LYS 29 N -2.91 1.57 0.16 -0.62 2.36 -0.97 -4.82 119.74 114.51 1m5z s LYS 29 Ca 0.09 -1.27 0.09 0.00 -2.55 0.00 0.00 55.97 52.32 1m5z s LYS 29 Cb -0.03 -1.99 -0.04 0.00 -1.05 0.00 0.00 37.83 34.72 1m5z s LYS 29 CO 0.01 0.47 -0.13 -0.51 1.55 0.00 0.00 175.35 176.74 1m5z s ASP 30 N -2.06 4.11 0.52 1.43 1.11 -1.26 -4.63 116.67 115.89 1m5z s ASP 30 Ca 0.16 -0.58 0.24 0.00 0.18 0.00 0.00 52.55 52.55 1m5z s ASP 30 Cb -0.10 -0.65 1.40 0.00 1.07 0.00 0.00 42.92 44.64 1m5z s ASP 30 CO 0.08 0.13 2.09 0.28 1.18 0.00 0.00 175.17 178.92 1m5z h SER 31 N 3.21 0.00 -0.13 0.27 0.02 -2.00 -2.18 113.55 112.73 1m5z h SER 31 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1m5z h SER 31 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1m5z h SER 31 CO 0.51 0.11 0.00 0.61 -1.14 0.00 0.00 176.83 176.93 1m5z n GLY 32 N -0.89 0.94 3.68 -3.77 0.00 -1.26 -4.94 105.19 98.95 1m5z n GLY 32 Ca -0.02 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.56 4.37 0.04 1.61 1.00 -0.82 -4.92 119.30 119.02 1m5z s MET 33 Ca 0.27 1.24 0.25 0.00 0.00 0.00 0.00 55.69 57.44 1m5z s MET 33 Cb 0.18 -3.56 1.02 0.00 0.00 0.00 0.00 34.83 32.47 1m5z s MET 33 CO 0.26 -0.33 1.79 -1.91 0.00 0.00 0.00 175.02 174.82 1m5z n GLU 34 N 5.14 0.04 -0.97 2.03 4.07 -1.26 -4.80 120.64 124.89 1m5z n GLU 34 Ca 0.07 0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.28 1m5z n GLU 34 Cb 0.49 -1.55 0.00 0.00 -0.06 0.00 0.00 31.44 30.31 1m5z n GLU 34 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1m5z n ASP 35 N -1.62 0.00 -1.31 4.31 -0.08 -1.26 -5.04 116.55 111.55 1m5z n ASP 35 Ca 0.06 -0.79 0.08 0.00 -1.51 0.00 0.00 54.79 52.63 1m5z n ASP 35 Cb 0.30 0.00 0.31 0.00 2.34 0.00 0.00 41.12 44.07 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 0.00 1.33 -0.44 -0.67 -0.00 -1.26 -4.78 117.46 111.64 1m5z n PHE 36 Ca 0.00 -0.73 0.00 0.00 -0.00 0.00 0.00 57.45 56.72 1m5z n PHE 36 Cb 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 39.48 39.16 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 0.32 0.76 3.62 7.13 0.00 -1.26 -3.36 105.19 112.40 1m5z n GLY 37 Ca 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.25 -0.23 0.06 1.61 -0.71 -1.26 0.33 117.98 115.54 1m5z s PHE 38 Ca 0.00 0.47 0.07 0.00 -1.04 0.00 0.00 56.93 56.43 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 -0.16 -0.17 -1.12 -1.34 0.00 0.00 175.22 172.43 1m5z s SER 39 N -0.56 3.90 0.43 1.98 0.01 0.57 -4.98 113.70 115.05 1m5z s SER 39 Ca 0.04 -0.45 0.08 0.00 1.31 0.00 0.00 55.95 56.93 1m5z s SER 39 Cb -0.02 -0.63 -0.00 0.00 0.21 0.00 0.00 66.02 65.57 1m5z s SER 39 CO -0.06 0.23 0.44 0.68 0.41 0.00 0.00 173.24 174.94 1m5z s VAL 40 N -1.00 2.63 0.40 3.43 -7.23 -1.26 0.16 120.40 117.53 1m5z s VAL 40 Ca 0.16 -1.27 0.04 0.00 -1.81 0.00 0.00 61.98 59.11 1m5z s VAL 40 Cb -0.11 -2.90 -0.02 0.00 0.56 0.00 0.00 36.38 33.91 1m5z s VAL 40 CO 0.07 0.00 0.14 0.00 -0.31 0.00 0.00 175.10 175.01 1m5z s ALA 41 N -2.48 2.81 -0.12 1.32 0.00 0.16 -4.59 121.76 118.86 1m5z s ALA 41 Ca 0.49 -1.32 -0.20 0.00 0.00 0.00 0.00 51.96 50.93 1m5z s ALA 41 Cb -0.05 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 1m5z s ALA 41 CO 0.29 -0.37 0.56 0.16 0.00 0.00 0.00 175.76 176.40 1m5z s ASP 42 N -3.58 6.77 -0.55 0.00 -4.77 -1.26 -3.18 116.67 110.10 1m5z s ASP 42 Ca 0.25 0.92 -0.17 0.00 -3.30 0.00 0.00 52.55 50.25 1m5z s ASP 42 Cb 0.02 -2.33 0.12 0.00 -1.09 0.00 0.00 42.92 39.64 1m5z s ASP 42 CO 0.16 -0.07 0.56 -0.83 0.70 0.00 0.00 175.17 175.69 1m5z s GLY 43 N 0.76 1.97 0.02 2.12 0.00 0.29 -4.85 107.32 107.64 1m5z s GLY 43 Ca 0.30 -2.39 0.19 0.00 0.00 0.00 0.00 44.72 42.82 1m5z s GLY 43 CO 0.13 1.32 0.65 -0.10 0.00 0.00 0.00 173.10 175.09 1m5z n LEU 44 N 5.63 0.50 0.02 0.66 -0.00 -1.26 -1.53 117.00 121.01 1m5z n LEU 44 Ca -0.12 0.21 0.13 0.00 -0.00 0.00 0.00 56.01 56.23 1m5z n LEU 44 Cb 0.41 0.10 0.45 0.00 -0.00 0.00 0.00 43.42 44.39 1m5z n LEU 44 CO 0.55 0.11 0.76 0.18 -0.00 0.00 0.00 177.39 178.99 1m5z n LEU 45 N -2.67 0.30 -1.71 -1.96 4.32 -1.26 -4.12 117.00 109.90 1m5z n LEU 45 Ca -0.11 0.35 -0.03 0.00 -0.02 0.00 0.00 56.01 56.20 1m5z n LEU 45 Cb 0.78 -0.38 0.01 0.00 -1.62 0.00 0.00 43.42 42.21 1m5z n LEU 45 CO 0.43 0.01 0.31 -0.62 -1.22 0.00 0.00 177.39 176.30 1m5z n GLU 46 N -1.64 0.52 -1.15 3.23 1.02 -1.26 -5.08 120.64 116.28 1m5z n GLU 46 Ca 0.06 -1.56 0.00 0.00 -0.02 0.00 0.00 57.16 55.64 1m5z n GLU 46 Cb 0.36 0.13 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 1m5z n GLU 46 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1m5z n LYS 47 N -0.33 -0.10 -3.34 3.49 -0.00 -0.58 -4.88 118.16 112.41 1m5z n LYS 47 Ca -0.14 0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 1m5z n LYS 47 Cb 0.85 -0.25 0.00 0.00 -0.00 0.00 0.00 35.03 35.63 1m5z n LYS 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1m5z n GLY 48 N 0.81 -0.74 2.80 2.58 0.00 -0.58 -4.31 105.19 105.75 1m5z n GLY 48 Ca 0.00 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.00 0.02 0.19 1.61 1.01 -1.17 0.11 120.40 119.17 1m5z s VAL 49 Ca 0.00 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.15 1m5z s VAL 49 Cb 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 36.22 1m5z s VAL 49 CO 0.00 0.09 -0.04 -0.31 0.00 0.00 0.00 175.10 174.84 1m5z s TYR 50 N 0.83 1.40 -0.07 5.22 2.02 -1.19 -2.08 117.35 123.48 1m5z s TYR 50 Ca -0.07 -0.88 -0.30 0.00 -0.37 0.00 0.00 57.07 55.45 1m5z s TYR 50 Cb -0.10 -0.78 -0.04 0.00 -0.40 0.00 0.00 41.96 40.64 1m5z s TYR 50 CO -0.02 -0.02 1.36 0.08 -1.57 0.00 0.00 175.55 175.38 1m5z s VAL 51 N -3.42 3.97 -0.01 0.71 1.01 -0.97 0.37 120.40 122.06 1m5z s VAL 51 Ca 0.23 1.26 0.09 0.00 0.00 0.00 0.00 61.98 63.56 1m5z s VAL 51 Cb 0.05 -3.81 -0.23 0.00 0.00 0.00 0.00 36.38 32.38 1m5z s VAL 51 CO 0.05 -0.06 0.80 0.07 0.00 0.00 0.00 175.10 175.97 1m5z h LYS 52 N 8.19 0.03 -1.87 2.72 2.10 0.13 -2.44 116.57 125.44 1m5z h LYS 52 Ca -0.34 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.24 1m5z h LYS 52 Cb 1.15 0.02 -0.21 0.00 -0.90 0.00 0.00 32.23 32.29 1m5z h LYS 52 CO 0.93 0.70 0.27 -0.80 -2.00 0.00 0.00 179.45 178.55 1m5z s ASN 53 N -6.35 -0.61 -0.05 7.07 0.01 -0.95 -4.94 114.94 109.12 1m5z s ASN 53 Ca -0.05 0.89 0.03 0.00 -0.71 0.00 0.00 52.86 53.03 1m5z s ASN 53 Cb 0.08 0.81 0.00 0.00 0.41 0.00 0.00 41.25 42.56 1m5z s ASN 53 CO 0.82 -0.40 -0.15 -0.63 -1.51 0.00 0.00 177.10 175.24 1m5z s ILE 54 N -0.53 1.27 0.46 0.60 1.01 -1.26 -0.32 121.20 122.44 1m5z s ILE 54 Ca -0.04 -0.61 -0.24 0.00 0.00 0.00 0.00 60.65 59.76 1m5z s ILE 54 Cb -0.02 -1.12 -0.07 0.00 0.01 0.00 0.00 42.46 41.26 1m5z s ILE 54 CO 0.04 0.38 1.29 -0.60 0.00 0.00 0.00 174.94 176.05 1m5z s ARG 55 N 0.26 3.69 0.39 2.79 3.52 0.15 -4.95 118.95 124.81 1m5z s ARG 55 Ca -0.08 2.10 -0.25 0.00 -0.13 0.00 0.00 55.73 57.37 1m5z s ARG 55 Cb -0.13 -2.54 -0.09 0.00 -1.56 0.00 0.00 34.95 30.64 1m5z s ARG 55 CO 0.03 -0.70 1.15 -1.25 -0.81 0.00 0.00 175.30 173.72 1m5z s PRO 56 N -2.53 4.10 -0.69 5.12 0.04 -1.26 -3.40 135.00 136.38 1m5z s PRO 56 Ca 0.62 1.80 -0.09 0.00 0.04 0.00 0.00 61.00 63.38 1m5z s PRO 56 Cb -0.37 -2.69 0.09 0.00 0.04 0.00 0.00 34.50 31.57 1m5z s PRO 56 CO 0.46 -0.26 0.22 0.00 0.04 0.00 0.00 177.00 177.45 1m5z n ALA 57 N 0.13 -1.03 -3.31 8.56 0.00 -1.26 -4.88 120.51 118.72 1m5z n ALA 57 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1m5z n ALA 57 Cb 0.47 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 3.40 0.36 0.00 0.00 -1.22 -4.83 105.19 102.21 1m5z n GLY 58 Ca 0.04 -2.14 0.12 0.00 0.00 0.00 0.00 46.02 44.04 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 0.79 -0.06 1.61 0.11 -1.87 0.39 132.00 132.98 1m5z h PRO 59 Ca 0.00 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 65.86 1m5z h PRO 59 Cb 0.00 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 30.93 1m5z h PRO 59 CO 0.00 0.52 -0.82 0.78 -0.21 0.00 0.00 178.00 178.27 1m5z h GLY 60 N 0.81 0.52 1.77 -0.55 0.00 -1.68 -1.32 103.07 102.61 1m5z h GLY 60 Ca 0.55 -0.79 -0.17 0.00 0.00 0.00 0.00 47.33 46.92 1m5z h GLY 60 CO -0.34 0.71 -0.71 -1.80 0.00 0.00 0.00 176.54 174.40 1m5z h ASP 61 N 0.30 0.27 0.81 0.19 1.82 -1.34 -2.39 116.42 116.09 1m5z h ASP 61 Ca -0.05 -0.18 -0.19 0.00 -0.39 0.00 0.00 57.03 56.22 1m5z h ASP 61 Cb 1.43 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 41.33 1m5z h ASP 61 CO 0.15 0.89 -0.89 -0.07 -1.61 0.00 0.00 179.24 177.71 1m5z h LEU 62 N 0.15 0.06 -0.05 2.28 3.38 -0.27 -3.32 115.31 117.55 1m5z h LEU 62 Ca -0.02 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1m5z h LEU 62 Cb 1.26 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1m5z h LEU 62 CO 0.11 0.91 -0.14 1.23 0.09 0.00 0.00 178.44 180.65 1m5z h GLY 63 N 2.44 0.21 0.00 0.83 0.00 -1.16 -3.48 103.07 101.90 1m5z h GLY 63 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1m5z h GLY 63 CO 0.12 0.23 0.00 0.61 0.00 0.00 0.00 176.54 177.50 1m5z n GLY 64 N 0.52 1.47 3.66 4.60 0.00 -0.93 -4.77 105.19 109.74 1m5z n GLY 64 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 4.15 0.18 0.99 1.43 -1.02 -5.04 118.68 119.36 1m5z s LEU 65 Ca 0.00 0.71 0.04 0.00 -1.03 0.00 0.00 54.13 53.85 1m5z s LEU 65 Cb 0.00 -2.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 1m5z s LEU 65 CO 0.00 -0.20 0.24 -0.54 0.23 0.00 0.00 176.35 176.08 1m5z s LYS 66 N 1.70 3.23 0.24 1.70 3.01 -1.26 -4.83 119.74 123.53 1m5z s LYS 66 Ca 0.25 -0.74 -0.31 0.00 -1.01 0.00 0.00 55.97 54.16 1m5z s LYS 66 Cb -0.16 -2.82 -0.14 0.00 -1.01 0.00 0.00 37.83 33.70 1m5z s LYS 66 CO 0.10 0.49 1.23 -2.30 0.51 0.00 0.00 175.35 175.38 1m5z n PRO 67 N -0.67 1.62 -0.73 -1.68 -0.02 -1.26 -1.51 135.00 130.76 1m5z n PRO 67 Ca -0.08 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1m5z n PRO 67 Cb 0.55 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 1.27 0.00 -1.48 6.00 4.01 -0.92 -4.77 117.16 121.27 1m5z n TYR 68 Ca 0.12 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.72 1m5z n TYR 68 Cb 0.30 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.22 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 0.55 -4.55 7.72 9.92 -0.57 -4.45 116.55 125.17 1m5z n ASP 69 Ca 0.00 -1.59 -0.36 0.00 -0.53 0.00 0.00 54.79 52.31 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 7.95 2.78 -0.39 -1.24 3.52 0.97 -2.30 118.95 130.23 1m5z s ARG 70 Ca 0.85 0.12 -0.32 0.00 -0.13 0.00 0.00 55.73 56.24 1m5z s ARG 70 Cb -0.23 -4.59 -0.10 0.00 -1.56 0.00 0.00 34.95 28.47 1m5z s ARG 70 CO 0.19 -2.75 2.27 1.28 -0.81 0.00 0.00 175.30 175.48 1m5z n LEU 71 N 12.17 2.26 -0.04 -0.88 4.32 -0.88 -1.39 117.00 132.56 1m5z n LEU 71 Ca 0.23 0.22 -0.01 0.00 -0.02 0.00 0.00 56.01 56.43 1m5z n LEU 71 Cb 0.50 -1.35 -0.00 0.00 -1.62 0.00 0.00 43.42 40.95 1m5z n LEU 71 CO 0.68 -0.85 -0.06 -0.07 -1.22 0.00 0.00 177.39 175.88 1m5z h LEU 72 N 13.97 0.00 -7.77 2.23 4.07 1.00 -2.83 115.31 125.97 1m5z h LEU 72 Ca -0.28 0.00 -0.42 0.00 0.08 0.00 0.00 57.88 57.26 1m5z h LEU 72 Cb 1.30 0.00 -0.34 0.00 1.08 0.00 0.00 40.66 42.70 1m5z h LEU 72 CO 1.05 0.42 -0.78 -1.10 -1.08 0.00 0.00 178.44 176.96 1m5z s GLN 73 N -1.53 0.92 -0.28 1.13 -0.21 -1.16 0.14 119.66 118.67 1m5z s GLN 73 Ca -0.02 -0.14 -0.03 0.00 0.02 0.00 0.00 55.36 55.19 1m5z s GLN 73 Cb 0.00 -0.89 0.03 0.00 1.00 0.00 0.00 33.01 33.16 1m5z s GLN 73 CO 0.04 -0.06 -0.01 0.08 -2.12 0.00 0.00 175.29 173.22 1m5z s VAL 74 N 0.85 3.13 -1.20 1.09 1.01 0.12 -0.28 120.40 125.13 1m5z s VAL 74 Ca -0.12 -1.11 -0.00 0.00 0.00 0.00 0.00 61.98 60.75 1m5z s VAL 74 Cb -0.15 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1m5z s VAL 74 CO 0.01 0.05 0.02 0.59 0.00 0.00 0.00 175.10 175.77 1m5z n ASN 75 N 4.69 -4.35 0.00 3.32 3.02 0.22 -1.96 115.26 120.19 1m5z n ASN 75 Ca -0.15 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 1m5z n ASN 75 Cb 0.46 -3.50 0.00 0.00 -0.61 0.00 0.00 39.78 36.12 1m5z n ASN 75 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1m5z n HIS 76 N -4.02 0.00 -3.00 3.10 -0.00 -1.26 -5.03 115.22 105.01 1m5z n HIS 76 Ca -0.16 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.64 1m5z n HIS 76 Cb 0.63 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.43 1m5z n HIS 76 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1m5z s VAL 77 N -2.44 4.44 0.01 3.57 0.11 -0.83 -5.01 120.40 120.24 1m5z s VAL 77 Ca 0.00 1.52 -0.30 0.00 -2.93 0.00 0.00 61.98 60.26 1m5z s VAL 77 Cb 0.00 -3.97 -0.06 0.00 -1.53 0.00 0.00 36.38 30.82 1m5z s VAL 77 CO 0.00 0.29 1.42 -0.13 -3.33 0.00 0.00 175.10 173.36 1m5z s ARG 78 N -1.73 4.28 0.00 1.54 0.52 -1.26 -0.70 118.95 121.59 1m5z s ARG 78 Ca 0.42 2.00 0.00 0.00 -0.52 0.00 0.00 55.73 57.63 1m5z s ARG 78 Cb -0.19 -3.55 0.00 0.00 0.52 0.00 0.00 34.95 31.73 1m5z s ARG 78 CO 0.23 -0.58 0.82 0.25 0.02 0.00 0.00 175.30 176.05 1m5z n THR 79 N 4.62 0.00 0.11 0.02 -2.24 0.38 -4.87 114.28 112.30 1m5z n THR 79 Ca 0.13 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.78 1m5z n THR 79 Cb 0.43 0.35 -0.08 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.00 -0.27 -0.98 -0.78 2.43 0.15 -3.09 114.38 111.84 1m5z h ARG 80 Ca 0.00 0.02 -0.36 0.00 -0.81 0.00 0.00 59.98 58.83 1m5z h ARG 80 Cb 1.26 0.06 -0.21 0.00 -0.42 0.00 0.00 29.97 30.66 1m5z h ARG 80 CO 0.00 0.04 0.45 -0.40 -1.51 0.00 0.00 179.97 178.56 1m5z n ASP 81 N -5.08 3.62 -4.74 -3.80 5.75 -1.26 -3.46 116.55 107.58 1m5z n ASP 81 Ca -0.09 -3.16 -0.29 0.00 -0.01 0.00 0.00 54.79 51.25 1m5z n ASP 81 Cb 0.23 -0.74 0.11 0.00 -1.03 0.00 0.00 41.12 39.68 1m5z n ASP 81 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1m5z s PHE 82 N -2.43 2.64 0.21 2.11 0.40 -1.17 -4.52 117.98 115.23 1m5z s PHE 82 Ca 0.42 0.60 0.07 0.00 -0.60 0.00 0.00 56.93 57.42 1m5z s PHE 82 Cb 0.35 -3.58 -0.04 0.00 0.51 0.00 0.00 43.02 40.27 1m5z s PHE 82 CO 0.08 -1.91 0.13 -0.51 0.70 0.00 0.00 175.22 173.71 1m5z s ASP 83 N -4.64 5.31 0.34 1.36 1.01 -1.26 -3.03 116.67 115.75 1m5z s ASP 83 Ca 0.64 -0.27 0.09 0.00 0.71 0.00 0.00 52.55 53.72 1m5z s ASP 83 Cb -0.09 -1.30 0.84 0.00 1.01 0.00 0.00 42.92 43.37 1m5z s ASP 83 CO 0.49 0.02 1.80 0.00 0.21 0.00 0.00 175.17 177.69 1m5z n LEU 86 N -3.26 0.92 0.09 0.00 4.77 0.26 -4.13 117.00 115.66 1m5z n LEU 86 Ca -0.01 0.16 -0.16 0.00 -0.03 0.00 0.00 56.01 55.97 1m5z n LEU 86 Cb 0.22 0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.27 1m5z n LEU 86 CO 0.26 0.54 0.03 0.58 -1.33 0.00 0.00 177.39 177.48 1m5z h VAL 87 N 0.01 1.44 0.03 4.08 2.07 -0.07 -2.64 116.25 121.17 1m5z h VAL 87 Ca -0.44 -2.77 0.01 0.00 0.82 0.00 0.00 66.70 64.32 1m5z h VAL 87 Cb 2.10 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 34.59 1m5z h VAL 87 CO 0.04 0.82 -0.06 0.58 0.02 0.00 0.00 177.57 178.96 1m5z h VAL 88 N 0.15 0.84 -0.22 2.57 2.07 -0.69 -1.24 116.25 119.73 1m5z h VAL 88 Ca -0.12 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 1m5z h VAL 88 Cb 1.82 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 1m5z h VAL 88 CO 0.19 0.00 -0.09 -0.65 0.02 0.00 0.00 177.57 177.05 1m5z h PRO 89 N -0.13 0.44 -0.56 1.57 0.11 -1.72 -1.81 132.00 129.90 1m5z h PRO 89 Ca 0.02 -0.18 0.16 0.00 0.11 0.00 0.00 66.00 66.10 1m5z h PRO 89 Cb 0.14 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 1m5z h PRO 89 CO -0.05 0.71 0.40 -0.07 -0.21 0.00 0.00 178.00 178.78 1m5z h LEU 90 N 0.16 0.02 0.01 2.35 3.38 -1.38 0.23 115.31 120.08 1m5z h LEU 90 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1m5z h LEU 90 Cb 0.56 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1m5z h LEU 90 CO 0.03 0.01 -0.06 0.40 0.09 0.00 0.00 178.44 178.91 1m5z h ILE 91 N 0.02 1.74 0.00 1.22 2.04 -1.00 -3.31 117.51 118.22 1m5z h ILE 91 Ca 0.27 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 63.86 1m5z h ILE 91 Cb 1.04 3.28 0.00 0.00 -0.74 0.00 0.00 36.82 40.40 1m5z h ILE 91 CO -0.01 0.59 0.00 0.00 0.00 0.00 0.00 178.15 178.73 1m5z n ALA 92 N -2.59 2.32 0.90 1.87 0.00 -0.70 -2.96 120.51 119.34 1m5z n ALA 92 Ca -0.10 -0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.31 1m5z n ALA 92 Cb 0.49 -1.39 0.07 0.00 0.00 0.00 0.00 19.45 18.61 1m5z n ALA 92 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1m5z n GLU 93 N -1.13 1.84 0.17 0.00 -0.00 0.74 -4.34 120.64 117.92 1m5z n GLU 93 Ca 0.15 -1.58 0.03 0.00 -0.00 0.00 0.00 57.16 55.77 1m5z n GLU 93 Cb 0.13 -1.41 0.42 0.00 -0.00 0.00 0.00 31.44 30.58 1m5z n GLU 93 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1m5z h SER 94 N 3.74 0.10 0.00 -1.84 0.02 -1.64 -3.47 113.55 110.45 1m5z h SER 94 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1m5z h SER 94 Cb 0.85 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1m5z h SER 94 CO 0.00 0.31 0.00 0.61 -1.14 0.00 0.00 176.83 176.61 1m5z n GLY 95 N -0.83 2.36 0.36 -3.77 0.00 -1.26 -4.10 105.19 97.96 1m5z n GLY 95 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 3.37 0.00 -3.46 1.61 0.23 -1.26 -4.68 115.26 111.07 1m5z n ASN 96 Ca 0.00 -0.86 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 -0.75 -0.93 0.00 0.00 177.26 175.58 1m5z s LYS 97 N 0.00 0.52 -0.40 -3.83 2.20 -1.26 -2.28 119.74 114.69 1m5z s LYS 97 Ca 0.00 1.20 0.00 0.00 -0.36 0.00 0.00 55.97 56.81 1m5z s LYS 97 Cb 0.00 0.71 0.11 0.00 -1.51 0.00 0.00 37.83 37.14 1m5z s LYS 97 CO 0.00 -0.31 0.16 -0.51 -0.36 0.00 0.00 175.35 174.34 1m5z s LEU 98 N 2.84 5.01 -0.30 5.43 1.43 0.13 -4.72 118.68 128.50 1m5z s LEU 98 Ca 0.02 -2.19 -0.13 0.00 -1.03 0.00 0.00 54.13 50.80 1m5z s LEU 98 Cb -0.12 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1m5z s LEU 98 CO -0.19 -0.45 0.28 -1.81 0.23 0.00 0.00 176.35 174.40 1m5z s ASP 99 N 1.28 6.11 0.18 2.29 1.11 -1.26 -0.40 116.67 125.98 1m5z s ASP 99 Ca 0.10 -0.09 -0.13 0.00 0.18 0.00 0.00 52.55 52.61 1m5z s ASP 99 Cb -0.21 -2.16 0.01 0.00 1.07 0.00 0.00 42.92 41.63 1m5z s ASP 99 CO -0.05 -0.18 0.40 -1.48 1.18 0.00 0.00 175.17 175.04 1m5z s LEU 100 N 1.87 0.52 -0.35 1.23 0.05 0.12 -0.61 118.68 121.51 1m5z s LEU 100 Ca 0.09 -0.66 -0.08 0.00 0.05 0.00 0.00 54.13 53.53 1m5z s LEU 100 Cb -0.16 1.67 0.04 0.00 -2.05 0.00 0.00 46.19 45.69 1m5z s LEU 100 CO 0.11 -0.97 0.15 -0.69 -0.55 0.00 0.00 176.35 174.40 1m5z s VAL 101 N -3.91 4.10 0.13 1.48 1.01 0.62 0.65 120.40 124.48 1m5z s VAL 101 Ca 0.13 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1m5z s VAL 101 Cb 0.01 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1m5z s VAL 101 CO -0.02 -0.21 0.25 0.27 0.00 0.00 0.00 175.10 175.40 1m5z s ILE 102 N 1.46 5.27 -0.12 2.22 -5.25 -0.89 0.14 121.20 124.03 1m5z s ILE 102 Ca -0.00 -0.65 0.03 0.00 -0.99 0.00 0.00 60.65 59.04 1m5z s ILE 102 Cb -0.19 -3.68 0.00 0.00 2.95 0.00 0.00 42.46 41.54 1m5z s ILE 102 CO 0.04 -0.04 -0.22 -0.55 -1.79 0.00 0.00 174.94 172.39 1m5z s SER 103 N -3.05 3.17 -0.18 4.36 0.15 -0.48 -0.97 113.70 116.69 1m5z s SER 103 Ca 0.34 -0.57 -0.10 0.00 0.70 0.00 0.00 55.95 56.33 1m5z s SER 103 Cb -0.11 -1.44 0.06 0.00 -1.71 0.00 0.00 66.02 62.81 1m5z s SER 103 CO 0.28 0.12 0.43 0.00 1.20 0.00 0.00 173.24 175.27 1m5z s ARG 104 N 0.60 0.42 0.83 5.44 1.04 -0.20 -0.02 118.95 127.06 1m5z s ARG 104 Ca -0.12 0.83 -0.12 0.00 -1.04 0.00 0.00 55.73 55.28 1m5z s ARG 104 Cb -0.17 -0.01 0.10 0.00 -2.04 0.00 0.00 34.95 32.83 1m5z s ARG 104 CO 0.03 -0.16 1.15 0.54 -0.04 0.00 0.00 175.30 176.83 1m5z s ASN 105 N 1.44 3.59 0.00 -2.89 2.20 -1.26 -0.56 114.94 117.45 1m5z s ASN 105 Ca -0.10 2.17 0.18 0.00 -0.94 0.00 0.00 52.86 54.18 1m5z s ASN 105 Cb -0.08 -2.57 1.08 0.00 -2.00 0.00 0.00 41.25 37.69 1m5z s ASN 105 CO -0.13 -2.66 1.48 -0.81 -2.94 0.00 0.00 177.10 172.04