#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 0.00 1.43 0.11 -1.96 -3.43 132.00 128.15 1m5z h PRO 17 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1m5z h PRO 17 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1m5z h PRO 17 CO 0.00 0.00 0.00 2.41 -0.21 0.00 0.00 178.00 180.20 1m5z n THR 18 N -3.38 0.00 -1.55 -1.15 -1.04 -1.26 -5.09 114.28 100.81 1m5z n THR 18 Ca 0.03 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.84 1m5z n THR 18 Cb 0.48 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.92 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 0.00 0.63 -0.79 -2.82 -0.02 -1.26 -4.71 135.00 126.02 1m5z n PRO 19 Ca 0.00 -0.57 -0.34 0.00 -2.02 0.00 0.00 63.50 60.56 1m5z n PRO 19 Cb 0.00 -3.41 0.12 0.00 -0.02 0.00 0.00 33.50 30.19 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 8.37 0.00 -4.26 -1.45 0.24 -1.26 -4.75 118.33 115.22 1m5z n VAL 20 Ca 0.46 -0.18 -0.30 0.00 -2.04 0.00 0.00 64.34 62.28 1m5z n VAL 20 Cb 0.43 -0.37 -0.16 0.00 -1.47 0.00 0.00 33.84 32.27 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 -2.88 2.47 0.34 7.34 2.02 -0.09 -4.75 118.70 123.16 1m5z s GLU 21 Ca 0.48 -0.64 -0.29 0.00 0.02 0.00 0.00 54.97 54.54 1m5z s GLU 21 Cb -0.03 -2.15 -0.11 0.00 0.10 0.00 0.00 34.13 31.95 1m5z s GLU 21 CO 0.65 -0.15 1.45 -0.51 0.02 0.00 0.00 175.26 176.72 1m5z s LEU 22 N 1.21 4.36 -0.10 1.80 1.43 -1.26 -2.07 118.68 124.05 1m5z s LEU 22 Ca -0.00 2.91 -0.04 0.00 -1.03 0.00 0.00 54.13 55.97 1m5z s LEU 22 Cb -0.14 -3.66 0.05 0.00 0.03 0.00 0.00 46.19 42.48 1m5z s LEU 22 CO -0.07 -0.77 0.21 -1.00 0.23 0.00 0.00 176.35 174.95 1m5z s HIS 23 N -0.90 -0.29 -0.32 0.29 3.76 0.13 -4.95 115.29 113.01 1m5z s HIS 23 Ca 0.53 0.78 -0.29 0.00 -0.15 0.00 0.00 55.06 55.93 1m5z s HIS 23 Cb -0.44 -0.14 -0.00 0.00 1.11 0.00 0.00 32.58 33.10 1m5z s HIS 23 CO 0.57 -0.30 1.41 0.21 -0.85 0.00 0.00 174.74 175.78 1m5z s LYS 24 N 2.26 3.76 -0.03 1.40 2.47 -1.26 -2.20 119.74 126.14 1m5z s LYS 24 Ca 0.01 1.23 0.06 0.00 -1.56 0.00 0.00 55.97 55.71 1m5z s LYS 24 Cb -0.12 -3.97 -0.02 0.00 -1.46 0.00 0.00 37.83 32.26 1m5z s LYS 24 CO -0.07 -1.33 -0.21 0.08 0.16 0.00 0.00 175.35 173.99 1m5z s VAL 25 N 4.97 2.50 -0.24 4.02 1.01 -0.22 -5.01 120.40 127.43 1m5z s VAL 25 Ca 0.62 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 1m5z s VAL 25 Cb -0.17 -1.92 0.07 0.00 0.00 0.00 0.00 36.38 34.36 1m5z s VAL 25 CO 0.28 0.58 0.06 -0.89 0.00 0.00 0.00 175.10 175.13 1m5z s THR 26 N -0.65 0.60 0.39 3.92 2.01 -1.26 -0.62 115.64 120.04 1m5z s THR 26 Ca 0.10 -0.83 0.07 0.00 0.31 0.00 0.00 61.69 61.35 1m5z s THR 26 Cb -0.10 -1.23 0.00 0.00 0.01 0.00 0.00 72.50 71.18 1m5z s THR 26 CO -0.00 -0.38 0.54 -0.76 -0.69 0.00 0.00 174.62 173.33 1m5z s LEU 27 N 1.80 3.76 0.03 4.42 1.02 -0.34 -4.51 118.68 124.85 1m5z s LEU 27 Ca 0.03 -0.34 0.07 0.00 0.02 0.00 0.00 54.13 53.91 1m5z s LEU 27 Cb -0.17 -2.70 -0.02 0.00 0.02 0.00 0.00 46.19 43.32 1m5z s LEU 27 CO -0.15 -0.66 -0.20 -0.31 0.02 0.00 0.00 176.35 175.05 1m5z s TYR 28 N -2.30 1.78 0.24 0.29 1.51 -1.26 -0.17 117.35 117.44 1m5z s TYR 28 Ca 0.52 -0.37 0.06 0.00 -1.01 0.00 0.00 57.07 56.28 1m5z s TYR 28 Cb -0.10 -1.08 -0.04 0.00 -0.11 0.00 0.00 41.96 40.64 1m5z s TYR 28 CO 0.32 0.06 0.22 0.21 -1.11 0.00 0.00 175.55 175.26 1m5z s LYS 29 N -1.03 3.01 -0.00 -0.62 2.20 0.12 -4.50 119.74 118.91 1m5z s LYS 29 Ca 0.07 -0.98 0.04 0.00 -0.36 0.00 0.00 55.97 54.74 1m5z s LYS 29 Cb -0.09 -2.63 -0.01 0.00 -1.51 0.00 0.00 37.83 33.60 1m5z s LYS 29 CO 0.01 0.41 -0.13 0.34 -0.36 0.00 0.00 175.35 175.63 1m5z s ASP 30 N -3.79 1.55 0.54 1.43 2.15 -1.26 -4.87 116.67 112.43 1m5z s ASP 30 Ca 0.33 -0.27 0.22 0.00 0.43 0.00 0.00 52.55 53.26 1m5z s ASP 30 Cb -0.08 -0.16 1.43 0.00 -0.30 0.00 0.00 42.92 43.81 1m5z s ASP 30 CO 0.25 0.14 2.11 0.77 -0.17 0.00 0.00 175.17 178.27 1m5z h SER 31 N 5.67 0.00 1.18 -0.34 4.64 -1.99 -0.80 113.55 121.91 1m5z h SER 31 Ca -0.34 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.91 1m5z h SER 31 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1m5z h SER 31 CO 0.48 0.00 -0.85 1.23 -0.87 0.00 0.00 176.83 176.82 1m5z h GLY 32 N 0.00 0.00 -1.27 -0.77 0.00 -2.01 -3.47 103.07 95.56 1m5z h GLY 32 Ca 0.08 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.92 1m5z h GLY 32 CO -0.00 0.00 0.38 1.06 0.00 0.00 0.00 176.54 177.98 1m5z s MET 33 N -3.14 3.20 -0.00 4.80 -1.94 -0.31 -5.00 119.30 116.91 1m5z s MET 33 Ca 0.01 0.52 0.13 0.00 -1.71 0.00 0.00 55.69 54.64 1m5z s MET 33 Cb 0.08 -2.09 -0.14 0.00 2.01 0.00 0.00 34.83 34.69 1m5z s MET 33 CO 0.77 -0.77 0.53 -1.91 -0.01 0.00 0.00 175.02 173.63 1m5z n GLU 34 N -2.82 2.61 -0.85 2.03 0.00 -1.26 -4.78 120.64 115.58 1m5z n GLU 34 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.21 1m5z n GLU 34 Cb 0.56 -1.12 0.00 0.00 0.00 0.00 0.00 31.44 30.88 1m5z n GLU 34 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1m5z n ASP 35 N -1.34 0.00 -2.12 4.31 -0.08 -1.26 -5.04 116.55 111.03 1m5z n ASP 35 Ca 0.02 -0.70 -0.24 0.00 -1.51 0.00 0.00 54.79 52.37 1m5z n ASP 35 Cb 0.21 0.00 0.13 0.00 2.34 0.00 0.00 41.12 43.80 1m5z n ASP 35 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1m5z n PHE 36 N 0.00 2.73 -4.14 -0.67 3.72 -1.26 -4.66 117.46 113.18 1m5z n PHE 36 Ca 0.00 -1.98 -0.34 0.00 -0.05 0.00 0.00 57.45 55.07 1m5z n PHE 36 Cb 0.00 -0.99 -0.01 0.00 -0.94 0.00 0.00 39.48 37.53 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 -0.85 -0.45 3.24 1.37 0.00 -1.26 -2.80 105.19 104.44 1m5z n GLY 37 Ca 0.53 0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.74 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 -3.32 -0.39 0.17 1.61 -0.12 -1.26 0.43 117.98 115.10 1m5z s PHE 38 Ca 0.69 0.57 0.05 0.00 -0.05 0.00 0.00 56.93 58.18 1m5z s PHE 38 Cb -0.37 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.18 1m5z s PHE 38 CO 0.90 -0.20 0.15 -1.54 -0.05 0.00 0.00 175.22 174.48 1m5z s SER 39 N 2.50 5.56 0.41 1.98 1.04 0.16 -4.95 113.70 120.40 1m5z s SER 39 Ca -0.02 -0.12 0.07 0.00 0.48 0.00 0.00 55.95 56.36 1m5z s SER 39 Cb -0.06 -1.46 -0.06 0.00 0.10 0.00 0.00 66.02 64.54 1m5z s SER 39 CO -0.14 0.06 0.12 0.68 0.98 0.00 0.00 173.24 174.94 1m5z s VAL 40 N -1.77 2.21 0.40 5.02 -7.23 -1.26 0.14 120.40 117.91 1m5z s VAL 40 Ca 0.31 -1.81 0.04 0.00 -1.81 0.00 0.00 61.98 58.71 1m5z s VAL 40 Cb -0.10 -2.99 -0.03 0.00 0.56 0.00 0.00 36.38 33.82 1m5z s VAL 40 CO 0.24 -0.01 0.11 0.00 -0.31 0.00 0.00 175.10 175.14 1m5z s ALA 41 N -2.64 2.86 0.17 1.32 0.00 0.37 -4.74 121.76 119.10 1m5z s ALA 41 Ca 0.39 -1.34 -0.24 0.00 0.00 0.00 0.00 51.96 50.77 1m5z s ALA 41 Cb 0.06 0.72 -0.08 0.00 0.00 0.00 0.00 23.12 23.82 1m5z s ALA 41 CO 0.21 -0.33 0.75 -0.51 0.00 0.00 0.00 175.76 175.88 1m5z s ASP 42 N -3.59 7.31 -0.40 0.00 1.01 -1.26 -2.58 116.67 117.16 1m5z s ASP 42 Ca 0.25 1.58 -0.05 0.00 0.71 0.00 0.00 52.55 55.03 1m5z s ASP 42 Cb 0.03 -2.47 0.09 0.00 1.01 0.00 0.00 42.92 41.58 1m5z s ASP 42 CO 0.14 0.19 0.20 -0.83 0.21 0.00 0.00 175.17 175.07 1m5z s GLY 43 N -1.23 1.94 -0.12 0.21 0.00 0.33 -4.87 107.32 103.59 1m5z s GLY 43 Ca 0.36 -2.26 0.12 0.00 0.00 0.00 0.00 44.72 42.95 1m5z s GLY 43 CO 0.25 0.95 0.38 1.04 0.00 0.00 0.00 173.10 175.71 1m5z n LEU 44 N 4.73 0.87 -0.13 0.66 4.32 -1.26 -1.57 117.00 124.63 1m5z n LEU 44 Ca -0.07 0.22 0.14 0.00 -0.02 0.00 0.00 56.01 56.28 1m5z n LEU 44 Cb 0.42 0.10 0.65 0.00 -1.62 0.00 0.00 43.42 42.97 1m5z n LEU 44 CO 0.35 0.50 0.90 0.00 -1.22 0.00 0.00 177.39 177.92 1m5z n LEU 45 N -3.00 0.47 -0.97 2.23 -0.00 -1.26 -3.98 117.00 110.49 1m5z n LEU 45 Ca -0.26 -0.02 -0.02 0.00 -0.00 0.00 0.00 56.01 55.71 1m5z n LEU 45 Cb 1.08 -0.15 -0.03 0.00 -0.00 0.00 0.00 43.42 44.32 1m5z n LEU 45 CO 0.43 0.09 0.25 -0.62 -0.00 0.00 0.00 177.39 177.54 1m5z n GLU 46 N -0.89 0.00 -1.24 1.47 1.02 -1.26 -5.10 120.64 114.65 1m5z n GLU 46 Ca 0.16 -1.05 0.00 0.00 -0.02 0.00 0.00 57.16 56.25 1m5z n GLU 46 Cb 0.26 0.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.86 1m5z n GLU 46 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1m5z n LYS 47 N 0.12 -0.29 -2.18 3.49 4.81 -0.61 -4.86 118.16 118.64 1m5z n LYS 47 Ca -0.11 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1m5z n LYS 47 Cb 0.77 -0.31 0.00 0.00 0.02 0.00 0.00 35.03 35.51 1m5z n LYS 47 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1m5z n GLY 48 N 1.19 -0.49 2.92 3.14 0.00 -0.74 -4.29 105.19 106.92 1m5z n GLY 48 Ca 0.00 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.45 -0.01 0.19 1.61 1.01 -1.23 0.12 120.40 118.63 1m5z s VAL 49 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1m5z s VAL 49 Cb 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 36.38 36.22 1m5z s VAL 49 CO 0.00 0.02 0.01 -0.31 0.00 0.00 0.00 175.10 174.82 1m5z s TYR 50 N 0.25 1.28 0.94 5.22 2.02 -1.06 -2.93 117.35 123.06 1m5z s TYR 50 Ca -0.02 -1.03 -0.11 0.00 -0.37 0.00 0.00 57.07 55.55 1m5z s TYR 50 Cb -0.03 -0.73 0.16 0.00 -0.40 0.00 0.00 41.96 40.96 1m5z s TYR 50 CO -0.01 -0.21 1.10 0.08 -1.57 0.00 0.00 175.55 174.95 1m5z s VAL 51 N -3.64 2.38 0.00 0.71 1.01 -1.19 0.14 120.40 119.80 1m5z s VAL 51 Ca 0.26 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1m5z s VAL 51 Cb 0.06 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1m5z s VAL 51 CO 0.05 -0.16 0.00 2.29 0.00 0.00 0.00 175.10 177.28 1m5z n LYS 52 N -4.19 0.00 -3.92 2.72 2.85 0.38 -3.16 118.16 112.83 1m5z n LYS 52 Ca 0.09 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.24 1m5z n LYS 52 Cb 0.53 -0.36 -0.12 0.00 -0.65 0.00 0.00 35.03 34.42 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 -2.02 0.11 -0.09 -5.58 0.01 -0.97 -4.80 114.94 101.61 1m5z s ASN 53 Ca 0.00 -0.24 -0.01 0.00 -0.71 0.00 0.00 52.86 51.89 1m5z s ASN 53 Cb 0.00 0.06 0.03 0.00 0.41 0.00 0.00 41.25 41.75 1m5z s ASN 53 CO 0.00 -0.16 -0.00 -0.63 -1.51 0.00 0.00 177.10 174.80 1m5z s ILE 54 N -0.76 0.45 0.19 0.60 -1.09 -1.26 0.38 121.20 119.70 1m5z s ILE 54 Ca -0.08 0.02 -0.31 0.00 -2.23 0.00 0.00 60.65 58.05 1m5z s ILE 54 Cb -0.05 -0.62 -0.10 0.00 -1.58 0.00 0.00 42.46 40.11 1m5z s ILE 54 CO -0.00 0.23 1.49 -0.13 -1.23 0.00 0.00 174.94 175.29 1m5z s ARG 55 N 1.94 4.25 -0.11 2.79 0.52 0.17 -4.93 118.95 123.59 1m5z s ARG 55 Ca 0.04 2.29 -0.30 0.00 -0.52 0.00 0.00 55.73 57.25 1m5z s ARG 55 Cb -0.13 -3.15 -0.03 0.00 0.52 0.00 0.00 34.95 32.16 1m5z s ARG 55 CO -0.06 -0.50 1.30 -1.25 0.02 0.00 0.00 175.30 174.81 1m5z s PRO 56 N 0.54 4.26 0.00 3.54 0.04 -1.26 -3.01 135.00 139.11 1m5z s PRO 56 Ca 0.65 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1m5z s PRO 56 Cb -0.42 -3.72 0.00 0.00 0.04 0.00 0.00 34.50 30.41 1m5z s PRO 56 CO 0.36 -0.64 0.00 0.00 0.04 0.00 0.00 177.00 176.75 1m5z n ALA 57 N 6.19 0.00 -1.05 8.56 0.00 -1.26 -4.99 120.51 127.96 1m5z n ALA 57 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.56 1m5z n ALA 57 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.84 -1.66 0.40 0.00 0.00 -1.16 -4.65 105.19 96.28 1m5z n GLY 58 Ca 0.00 -1.59 0.21 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 -0.28 1.61 0.11 -1.79 -0.79 132.00 130.86 1m5z h PRO 59 Ca -0.03 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 1m5z h PRO 59 Cb 0.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 1m5z h PRO 59 CO 0.02 0.00 0.03 0.78 -0.21 0.00 0.00 178.00 178.63 1m5z h GLY 60 N 0.00 0.50 1.75 -0.55 0.00 -1.45 -1.92 103.07 101.40 1m5z h GLY 60 Ca 0.22 -0.34 -0.17 0.00 0.00 0.00 0.00 47.33 47.04 1m5z h GLY 60 CO -0.00 0.32 -0.71 -1.80 0.00 0.00 0.00 176.54 174.34 1m5z h ASP 61 N 0.27 0.29 -0.68 0.19 1.82 -1.23 -2.27 116.42 114.82 1m5z h ASP 61 Ca 0.08 -0.19 -0.03 0.00 -0.39 0.00 0.00 57.03 56.51 1m5z h ASP 61 Cb 0.36 -0.09 -0.03 0.00 0.68 0.00 0.00 39.33 40.25 1m5z h ASP 61 CO 0.01 0.91 0.34 -0.07 -1.61 0.00 0.00 179.24 178.81 1m5z h LEU 62 N 0.16 0.90 0.02 2.28 3.38 -1.26 -3.19 115.31 117.60 1m5z h LEU 62 Ca -0.02 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1m5z h LEU 62 Cb 1.27 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1m5z h LEU 62 CO 0.11 0.76 -0.01 1.23 0.09 0.00 0.00 178.44 180.63 1m5z h GLY 63 N 1.05 -0.03 0.00 0.83 0.00 -1.29 -3.50 103.07 100.14 1m5z h GLY 63 Ca 0.24 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1m5z h GLY 63 CO -0.03 -0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.11 1m5z n GLY 64 N 1.38 0.77 3.39 4.60 0.00 -0.86 -4.80 105.19 109.67 1m5z n GLY 64 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 2.96 0.79 0.99 2.34 -1.24 -5.08 118.68 119.44 1m5z s LEU 65 Ca 0.00 -0.28 -0.11 0.00 0.06 0.00 0.00 54.13 53.79 1m5z s LEU 65 Cb 0.00 -1.72 0.07 0.00 -0.56 0.00 0.00 46.19 43.98 1m5z s LEU 65 CO 0.00 0.10 1.10 -0.54 -1.06 0.00 0.00 176.35 175.94 1m5z s LYS 66 N 0.78 2.12 -0.98 1.48 1.02 -1.26 -4.90 119.74 118.00 1m5z s LYS 66 Ca -0.03 0.64 -0.13 0.00 0.02 0.00 0.00 55.97 56.47 1m5z s LYS 66 Cb -0.15 -1.92 -0.08 0.00 -0.52 0.00 0.00 37.83 35.16 1m5z s LYS 66 CO 0.02 -1.60 2.12 -0.35 -0.92 0.00 0.00 175.35 174.62 1m5z n PRO 67 N -3.42 2.08 0.00 -1.68 -0.04 -1.26 -2.52 135.00 128.16 1m5z n PRO 67 Ca 0.07 -1.78 0.00 0.00 -0.04 0.00 0.00 63.50 61.75 1m5z n PRO 67 Cb 0.56 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 1m5z n PRO 67 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1m5z n TYR 68 N 5.57 0.00 -1.47 0.54 9.36 -1.19 -4.45 117.16 125.52 1m5z n TYR 68 Ca 0.50 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 61.49 1m5z n TYR 68 Cb 0.27 0.00 -0.22 0.00 -0.63 0.00 0.00 39.34 38.76 1m5z n TYR 68 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1m5z n ASP 69 N -0.05 -1.30 -4.55 2.98 8.00 -1.05 -3.81 116.55 116.77 1m5z n ASP 69 Ca 0.00 -0.48 -0.37 0.00 0.71 0.00 0.00 54.79 54.65 1m5z n ASP 69 Cb 0.00 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.52 1m5z n ASP 69 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1m5z s ARG 70 N 7.01 2.49 -0.23 -1.24 3.52 0.20 -3.15 118.95 127.55 1m5z s ARG 70 Ca 1.29 0.72 -0.31 0.00 -0.13 0.00 0.00 55.73 57.31 1m5z s ARG 70 Cb -0.86 -4.47 -0.08 0.00 -1.56 0.00 0.00 34.95 27.97 1m5z s ARG 70 CO 0.55 -2.91 2.17 1.28 -0.81 0.00 0.00 175.30 175.57 1m5z n LEU 71 N 13.59 2.99 0.02 -0.88 4.77 -1.15 -1.30 117.00 135.04 1m5z n LEU 71 Ca 0.25 0.38 -0.20 0.00 -0.03 0.00 0.00 56.01 56.41 1m5z n LEU 71 Cb 0.52 -1.45 -0.14 0.00 -2.33 0.00 0.00 43.42 40.03 1m5z n LEU 71 CO 0.70 -0.59 -0.15 -0.07 -1.33 0.00 0.00 177.39 175.95 1m5z h LEU 72 N 13.41 0.38 -7.69 2.23 3.38 -0.44 -3.26 115.31 123.33 1m5z h LEU 72 Ca -0.38 -0.89 -0.19 0.00 0.09 0.00 0.00 57.88 56.50 1m5z h LEU 72 Cb 1.27 -0.12 -0.26 0.00 0.09 0.00 0.00 40.66 41.64 1m5z h LEU 72 CO 0.98 1.47 -0.60 0.00 0.09 0.00 0.00 178.44 180.37 1m5z s GLN 73 N -2.43 0.18 0.09 1.13 -2.07 -0.96 0.11 119.66 115.71 1m5z s GLN 73 Ca -0.17 -0.02 0.06 0.00 -1.82 0.00 0.00 55.36 53.41 1m5z s GLN 73 Cb 0.02 0.08 -0.03 0.00 -1.09 0.00 0.00 33.01 31.99 1m5z s GLN 73 CO 0.78 -0.03 -0.14 0.08 -1.32 0.00 0.00 175.29 174.66 1m5z s VAL 74 N -0.30 1.23 -0.36 3.63 1.01 0.25 -0.01 120.40 125.85 1m5z s VAL 74 Ca -0.04 -1.50 -0.04 0.00 0.00 0.00 0.00 61.98 60.40 1m5z s VAL 74 Cb -0.03 -1.30 0.04 0.00 0.00 0.00 0.00 36.38 35.10 1m5z s VAL 74 CO 0.00 -0.30 0.11 0.59 0.00 0.00 0.00 175.10 175.50 1m5z n ASN 75 N 0.94 -1.21 -1.23 3.32 5.03 -0.15 0.11 115.26 122.08 1m5z n ASN 75 Ca -0.19 0.17 -0.04 0.00 0.87 0.00 0.00 54.58 55.39 1m5z n ASN 75 Cb 0.55 -1.15 0.02 0.00 -1.02 0.00 0.00 39.78 38.18 1m5z n ASN 75 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 1m5z n HIS 76 N -2.80 -0.54 -3.70 3.10 -0.00 -1.26 -5.06 115.22 104.96 1m5z n HIS 76 Ca 0.02 0.20 -0.13 0.00 -0.00 0.00 0.00 57.72 57.81 1m5z n HIS 76 Cb 0.49 -2.05 -0.07 0.00 -0.00 0.00 0.00 29.99 28.36 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 -3.07 0.06 0.10 3.57 1.01 0.31 -5.14 120.40 117.24 1m5z s VAL 77 Ca 0.08 -0.46 -0.31 0.00 0.00 0.00 0.00 61.98 61.29 1m5z s VAL 77 Cb -0.04 -0.86 -0.08 0.00 0.00 0.00 0.00 36.38 35.41 1m5z s VAL 77 CO 0.15 -0.25 1.41 -0.13 0.00 0.00 0.00 175.10 176.27 1m5z s ARG 78 N -2.04 4.31 0.00 2.72 3.00 -1.26 0.84 118.95 126.52 1m5z s ARG 78 Ca -0.08 2.08 0.16 0.00 0.00 0.00 0.00 55.73 57.89 1m5z s ARG 78 Cb -0.02 -3.31 0.27 0.00 0.00 0.00 0.00 34.95 31.89 1m5z s ARG 78 CO 0.01 -0.47 1.09 0.25 0.00 0.00 0.00 175.30 176.17 1m5z n THR 79 N 4.09 0.00 0.01 0.02 -2.24 0.30 -4.77 114.28 111.68 1m5z n THR 79 Ca 0.12 -0.63 -0.20 0.00 -2.27 0.00 0.00 64.05 61.06 1m5z n THR 79 Cb 0.42 0.80 -0.14 0.00 -2.10 0.00 0.00 70.33 69.31 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 0.63 0.23 -0.62 -0.78 2.43 -0.60 -3.33 114.38 112.33 1m5z h ARG 80 Ca -0.25 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 1m5z h ARG 80 Cb 1.70 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 1m5z h ARG 80 CO 0.01 1.18 0.00 -0.40 -1.51 0.00 0.00 179.97 179.26 1m5z n ASP 81 N -4.08 3.31 -4.90 -3.80 5.68 -1.26 -3.83 116.55 107.67 1m5z n ASP 81 Ca -0.20 -2.33 -0.28 0.00 -0.50 0.00 0.00 54.79 51.47 1m5z n ASP 81 Cb 0.82 -0.49 0.06 0.00 -1.14 0.00 0.00 41.12 40.38 1m5z n ASP 81 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 1m5z s PHE 82 N -1.79 3.10 0.29 2.11 0.08 -1.25 -4.69 117.98 115.82 1m5z s PHE 82 Ca 0.32 0.77 0.07 0.00 0.12 0.00 0.00 56.93 58.22 1m5z s PHE 82 Cb 0.22 -3.20 -0.03 0.00 -0.57 0.00 0.00 43.02 39.43 1m5z s PHE 82 CO 0.15 -1.39 0.21 -0.51 -0.10 0.00 0.00 175.22 173.58 1m5z s ASP 83 N -4.46 5.32 0.33 1.36 1.01 -1.26 -3.57 116.67 115.40 1m5z s ASP 83 Ca 0.59 -0.39 0.09 0.00 0.71 0.00 0.00 52.55 53.54 1m5z s ASP 83 Cb -0.11 -1.17 0.81 0.00 1.01 0.00 0.00 42.92 43.46 1m5z s ASP 83 CO 0.49 -0.16 1.80 0.00 0.21 0.00 0.00 175.17 177.51 1m5z n LEU 86 N -3.59 0.59 0.09 0.00 4.77 0.15 -4.11 117.00 114.89 1m5z n LEU 86 Ca -0.01 0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 56.09 1m5z n LEU 86 Cb 0.27 0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 1m5z n LEU 86 CO 0.30 0.38 0.06 0.58 -1.33 0.00 0.00 177.39 177.38 1m5z h VAL 87 N 0.00 1.44 0.05 4.08 2.07 -0.19 -2.61 116.25 121.09 1m5z h VAL 87 Ca -0.34 -2.75 0.01 0.00 0.82 0.00 0.00 66.70 64.44 1m5z h VAL 87 Cb 2.00 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 34.46 1m5z h VAL 87 CO 0.06 0.81 -0.07 0.58 0.02 0.00 0.00 177.57 178.97 1m5z h VAL 88 N 0.15 0.83 -0.31 2.57 2.07 -1.09 -1.33 116.25 119.14 1m5z h VAL 88 Ca -0.11 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 1m5z h VAL 88 Cb 1.79 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1m5z h VAL 88 CO 0.19 0.00 -0.05 -0.65 0.02 0.00 0.00 177.57 177.07 1m5z h PRO 89 N -0.15 0.58 -0.63 1.57 0.11 -1.71 -1.90 132.00 129.86 1m5z h PRO 89 Ca 0.01 -0.21 0.17 0.00 0.11 0.00 0.00 66.00 66.08 1m5z h PRO 89 Cb 0.16 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.20 1m5z h PRO 89 CO -0.04 0.75 0.45 -0.07 -0.21 0.00 0.00 178.00 178.88 1m5z h LEU 90 N 0.35 0.09 0.02 2.35 3.38 -1.33 0.11 115.31 120.28 1m5z h LEU 90 Ca 0.08 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1m5z h LEU 90 Cb 0.53 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1m5z h LEU 90 CO 0.03 0.05 -0.16 0.40 0.09 0.00 0.00 178.44 178.84 1m5z h ILE 91 N 0.10 1.71 0.00 1.22 2.04 -0.96 -3.30 117.51 118.32 1m5z h ILE 91 Ca 0.30 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.88 1m5z h ILE 91 Cb 1.07 3.25 0.00 0.00 -0.74 0.00 0.00 36.82 40.40 1m5z h ILE 91 CO -0.03 0.61 0.00 0.00 0.00 0.00 0.00 178.15 178.72 1m5z n ALA 92 N -2.60 2.07 -0.11 1.87 0.00 -0.69 -2.58 120.51 118.47 1m5z n ALA 92 Ca -0.11 -0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.34 1m5z n ALA 92 Cb 0.53 -1.31 0.24 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.21 2.59 -0.24 0.00 0.28 0.28 -4.43 120.64 117.93 1m5z n GLU 93 Ca 0.11 -2.34 -0.06 0.00 -0.16 0.00 0.00 57.16 54.70 1m5z n GLU 93 Cb 0.13 -1.46 0.07 0.00 1.43 0.00 0.00 31.44 31.61 1m5z n GLU 93 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1m5z h SER 94 N 3.68 1.03 0.00 -1.84 0.87 -1.62 -3.47 113.55 112.20 1m5z h SER 94 Ca 0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1m5z h SER 94 Cb 0.90 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1m5z h SER 94 CO 0.00 0.99 0.00 0.61 -0.53 0.00 0.00 176.83 177.90 1m5z n GLY 95 N -0.71 3.03 0.00 5.77 0.00 -1.26 -4.40 105.19 107.62 1m5z n GLY 95 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1m5z n GLY 95 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1m5z n ASN 96 N 1.42 0.00 -4.01 1.61 2.85 -1.26 -4.88 115.26 110.99 1m5z n ASN 96 Ca 0.00 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.16 1m5z n ASN 96 Cb 0.00 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 40.86 1m5z n ASN 96 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1m5z s LYS 97 N -0.88 2.13 -0.60 1.20 1.02 -1.26 -0.71 119.74 120.64 1m5z s LYS 97 Ca 0.00 -0.90 -0.15 0.00 0.02 0.00 0.00 55.97 54.94 1m5z s LYS 97 Cb 0.00 -2.48 0.15 0.00 -0.52 0.00 0.00 37.83 34.98 1m5z s LYS 97 CO 0.00 -0.43 0.54 -1.17 -0.92 0.00 0.00 175.35 173.37 1m5z s LEU 98 N 1.35 6.25 -0.30 3.17 0.20 0.76 -4.87 118.68 125.25 1m5z s LEU 98 Ca -0.02 -2.03 -0.15 0.00 0.69 0.00 0.00 54.13 52.62 1m5z s LEU 98 Cb -0.16 -2.18 -0.03 0.00 -0.43 0.00 0.00 46.19 43.39 1m5z s LEU 98 CO -0.08 -0.77 0.38 -0.62 -0.29 0.00 0.00 176.35 174.97 1m5z s ASP 99 N 3.12 6.24 0.05 3.68 -1.08 -1.26 -1.20 116.67 126.21 1m5z s ASP 99 Ca 0.07 0.11 -0.09 0.00 -0.52 0.00 0.00 52.55 52.12 1m5z s ASP 99 Cb -0.25 -2.21 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 1m5z s ASP 99 CO -0.00 -0.26 0.18 -1.48 0.52 0.00 0.00 175.17 174.13 1m5z s LEU 100 N 2.09 1.43 -0.37 -1.34 0.05 0.21 -0.98 118.68 119.77 1m5z s LEU 100 Ca 0.14 -0.45 -0.09 0.00 0.05 0.00 0.00 54.13 53.78 1m5z s LEU 100 Cb -0.16 0.94 0.04 0.00 -2.05 0.00 0.00 46.19 44.96 1m5z s LEU 100 CO 0.11 -0.59 0.18 -0.69 -0.55 0.00 0.00 176.35 174.81 1m5z s VAL 101 N -2.88 4.28 0.42 1.48 1.01 0.99 -1.06 120.40 124.64 1m5z s VAL 101 Ca -0.03 -1.02 0.08 0.00 0.00 0.00 0.00 61.98 61.01 1m5z s VAL 101 Cb 0.00 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 1m5z s VAL 101 CO -0.06 -0.26 0.40 0.27 0.00 0.00 0.00 175.10 175.45 1m5z s ILE 102 N 1.49 2.67 -0.05 2.22 -5.25 -0.93 0.23 121.20 121.58 1m5z s ILE 102 Ca 0.01 -1.31 -0.02 0.00 -0.99 0.00 0.00 60.65 58.33 1m5z s ILE 102 Cb -0.20 -2.99 0.03 0.00 2.95 0.00 0.00 42.46 42.26 1m5z s ILE 102 CO 0.05 0.00 0.11 -0.55 -1.79 0.00 0.00 174.94 172.76 1m5z s SER 103 N -4.15 -0.06 -0.11 4.36 0.15 -0.42 0.22 113.70 113.69 1m5z s SER 103 Ca 0.49 0.22 -0.10 0.00 0.70 0.00 0.00 55.95 57.26 1m5z s SER 103 Cb -0.04 0.12 0.03 0.00 -1.71 0.00 0.00 66.02 64.42 1m5z s SER 103 CO 0.28 -0.13 0.29 -0.60 1.20 0.00 0.00 173.24 174.28 1m5z s ARG 104 N 1.06 0.34 -0.20 5.44 3.52 -0.88 0.58 118.95 128.81 1m5z s ARG 104 Ca -0.08 0.41 -0.29 0.00 -0.13 0.00 0.00 55.73 55.63 1m5z s ARG 104 Cb -0.11 0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.44 1m5z s ARG 104 CO -0.05 -0.04 1.06 0.54 -0.81 0.00 0.00 175.30 176.00 1m5z s ASN 105 N 0.18 7.11 0.00 -2.12 4.22 -1.26 -0.91 114.94 122.16 1m5z s ASN 105 Ca -0.00 1.44 0.10 0.00 -2.14 0.00 0.00 52.86 52.25 1m5z s ASN 105 Cb -0.02 -2.54 0.58 0.00 1.28 0.00 0.00 41.25 40.54 1m5z s ASN 105 CO 0.00 -0.64 1.02 -2.65 -2.04 0.00 0.00 177.10 172.79