#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 2.30 0.00 1.43 -0.04 -1.26 -3.58 135.00 133.85 1m5z n PRO 17 Ca 0.00 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 61.92 1m5z n PRO 17 Cb 0.00 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 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 2.08 0.00 -2.11 0.52 -1.04 -1.26 -5.10 114.28 107.37 1m5z n THR 18 Ca 0.48 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 62.07 1m5z n THR 18 Cb 0.75 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.23 1m5z n THR 18 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1m5z s PRO 19 N 0.00 3.21 0.98 -2.82 0.04 -1.26 -4.69 135.00 130.47 1m5z s PRO 19 Ca 0.00 1.06 -0.15 0.00 0.04 0.00 0.00 61.00 61.95 1m5z s PRO 19 Cb 0.00 -4.20 -0.06 0.00 0.04 0.00 0.00 34.50 30.28 1m5z s PRO 19 CO 0.00 -2.01 -0.26 1.33 0.04 0.00 0.00 177.00 176.10 1m5z n VAL 20 N 7.26 0.00 -4.27 -0.36 0.24 -1.26 -4.61 118.33 115.32 1m5z n VAL 20 Ca 0.20 -0.34 -0.30 0.00 -2.04 0.00 0.00 64.34 61.87 1m5z n VAL 20 Cb 0.48 -0.30 -0.17 0.00 -1.47 0.00 0.00 33.84 32.39 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 -2.78 2.31 0.56 7.34 2.02 0.17 -4.72 118.70 123.61 1m5z s GLU 21 Ca 0.48 -0.58 -0.21 0.00 0.02 0.00 0.00 54.97 54.68 1m5z s GLU 21 Cb -0.19 -2.03 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 1m5z s GLU 21 CO 0.75 -0.14 1.35 -0.51 0.02 0.00 0.00 175.26 176.73 1m5z s LEU 22 N 1.21 3.80 -0.26 1.80 1.43 -1.26 -2.15 118.68 123.25 1m5z s LEU 22 Ca -0.01 2.75 -0.02 0.00 -1.03 0.00 0.00 54.13 55.82 1m5z s LEU 22 Cb -0.14 -4.33 0.14 0.00 0.03 0.00 0.00 46.19 41.89 1m5z s LEU 22 CO -0.06 -1.65 0.39 -1.00 0.23 0.00 0.00 176.35 174.25 1m5z s HIS 23 N -1.32 -0.86 -0.14 0.29 3.76 0.23 -4.92 115.29 112.33 1m5z s HIS 23 Ca 0.74 0.70 -0.29 0.00 -0.15 0.00 0.00 55.06 56.06 1m5z s HIS 23 Cb -0.40 -0.03 -0.03 0.00 1.11 0.00 0.00 32.58 33.23 1m5z s HIS 23 CO 0.46 -0.79 1.52 0.21 -0.85 0.00 0.00 174.74 175.30 1m5z s LYS 24 N 2.54 4.08 0.00 1.40 2.20 -1.26 -2.10 119.74 126.60 1m5z s LYS 24 Ca 0.12 1.85 0.06 0.00 -0.36 0.00 0.00 55.97 57.64 1m5z s LYS 24 Cb -0.15 -3.93 -0.02 0.00 -1.51 0.00 0.00 37.83 32.22 1m5z s LYS 24 CO -0.20 -0.94 -0.18 0.08 -0.36 0.00 0.00 175.35 173.75 1m5z s VAL 25 N 4.22 1.44 -0.23 4.02 1.01 0.62 -5.01 120.40 126.46 1m5z s VAL 25 Ca 0.67 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 1m5z s VAL 25 Cb -0.27 -1.22 0.07 0.00 0.00 0.00 0.00 36.38 34.97 1m5z s VAL 25 CO 0.25 0.32 0.06 -0.89 0.00 0.00 0.00 175.10 174.84 1m5z s THR 26 N -0.54 0.56 0.46 3.92 2.01 -1.25 -0.64 115.64 120.15 1m5z s THR 26 Ca 0.07 -0.79 0.08 0.00 0.31 0.00 0.00 61.69 61.36 1m5z s THR 26 Cb -0.07 -1.19 0.03 0.00 0.01 0.00 0.00 72.50 71.28 1m5z s THR 26 CO 0.00 -0.37 0.62 -0.76 -0.69 0.00 0.00 174.62 173.42 1m5z s LEU 27 N 1.82 3.53 -0.04 4.42 1.43 -0.52 -4.86 118.68 124.46 1m5z s LEU 27 Ca 0.02 -0.52 0.06 0.00 -1.03 0.00 0.00 54.13 52.66 1m5z s LEU 27 Cb -0.17 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.62 1m5z s LEU 27 CO -0.15 -0.89 -0.21 -0.31 0.23 0.00 0.00 176.35 175.02 1m5z s TYR 28 N -2.42 1.97 0.38 0.29 2.02 -1.26 -0.04 117.35 118.29 1m5z s TYR 28 Ca 0.57 -0.49 0.02 0.00 -0.37 0.00 0.00 57.07 56.79 1m5z s TYR 28 Cb -0.09 -1.30 -0.02 0.00 -0.40 0.00 0.00 41.96 40.16 1m5z s TYR 28 CO 0.34 -0.12 0.58 0.21 -1.57 0.00 0.00 175.55 174.99 1m5z s LYS 29 N -0.24 3.23 -0.06 -0.62 2.20 0.86 -4.83 119.74 120.29 1m5z s LYS 29 Ca 0.01 -0.55 0.01 0.00 -0.36 0.00 0.00 55.97 55.08 1m5z s LYS 29 Cb -0.11 -2.66 0.02 0.00 -1.51 0.00 0.00 37.83 33.57 1m5z s LYS 29 CO 0.01 -0.03 -0.08 -0.51 -0.36 0.00 0.00 175.35 174.38 1m5z s ASP 30 N -4.14 1.49 0.57 1.43 1.11 -1.26 -4.84 116.67 111.04 1m5z s ASP 30 Ca 0.44 -0.22 0.30 0.00 0.18 0.00 0.00 52.55 53.25 1m5z s ASP 30 Cb -0.10 -0.66 1.44 0.00 1.07 0.00 0.00 42.92 44.67 1m5z s ASP 30 CO 0.35 -0.03 1.84 -1.28 1.18 0.00 0.00 175.17 177.23 1m5z h SER 31 N 7.26 0.00 -0.74 0.27 0.87 -1.99 0.49 113.55 119.70 1m5z h SER 31 Ca -0.33 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 59.92 1m5z h SER 31 Cb 1.16 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.94 1m5z h SER 31 CO 0.46 0.00 0.39 0.61 -0.53 0.00 0.00 176.83 177.76 1m5z n GLY 32 N -1.60 3.72 3.59 5.77 0.00 -1.26 -4.88 105.19 110.53 1m5z n GLY 32 Ca 0.14 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.73 0.79 0.01 1.61 1.00 0.17 -5.04 119.30 115.12 1m5z s MET 33 Ca 0.48 0.94 0.21 0.00 0.00 0.00 0.00 55.69 57.32 1m5z s MET 33 Cb 0.39 0.39 -0.23 0.00 0.00 0.00 0.00 34.83 35.38 1m5z s MET 33 CO 0.11 -0.10 0.60 -0.85 0.00 0.00 0.00 175.02 174.78 1m5z n GLU 34 N 2.70 0.65 -2.17 2.03 0.28 -1.26 -4.29 120.64 118.57 1m5z n GLU 34 Ca -0.14 -0.05 -0.26 0.00 -0.16 0.00 0.00 57.16 56.54 1m5z n GLU 34 Cb 0.55 -1.62 0.08 0.00 1.43 0.00 0.00 31.44 31.88 1m5z n GLU 34 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1m5z s ASP 35 N -4.98 4.65 -0.17 -1.84 -1.08 -1.26 -4.74 116.67 107.26 1m5z s ASP 35 Ca -0.06 0.44 0.16 0.00 -0.52 0.00 0.00 52.55 52.57 1m5z s ASP 35 Cb 0.11 -1.03 0.36 0.00 -1.46 0.00 0.00 42.92 40.91 1m5z s ASP 35 CO 0.86 -1.71 1.21 0.49 0.52 0.00 0.00 175.17 176.54 1m5z n PHE 36 N -3.01 0.12 -0.54 -5.34 3.72 -1.26 -4.69 117.46 106.46 1m5z n PHE 36 Ca 0.09 -1.19 0.00 0.00 -0.05 0.00 0.00 57.45 56.29 1m5z n PHE 36 Cb 0.60 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 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 -1.25 0.73 3.64 1.37 0.00 -1.26 -3.60 105.19 104.82 1m5z n GLY 37 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.04 -0.26 0.16 1.61 -0.71 -1.26 0.42 117.98 115.90 1m5z s PHE 38 Ca 0.00 0.61 0.02 0.00 -1.04 0.00 0.00 56.93 56.52 1m5z s PHE 38 Cb 0.00 0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 42.18 1m5z s PHE 38 CO 0.00 -0.12 0.30 -1.12 -1.34 0.00 0.00 175.22 172.94 1m5z s SER 39 N 0.24 6.35 0.26 1.98 0.01 0.17 -4.94 113.70 117.76 1m5z s SER 39 Ca 0.04 0.22 0.11 0.00 1.31 0.00 0.00 55.95 57.63 1m5z s SER 39 Cb -0.05 -1.93 -0.05 0.00 0.21 0.00 0.00 66.02 64.20 1m5z s SER 39 CO -0.11 0.04 -0.10 0.68 0.41 0.00 0.00 173.24 174.15 1m5z s VAL 40 N -1.76 2.98 0.52 3.43 -7.23 -1.26 0.14 120.40 117.21 1m5z s VAL 40 Ca 0.35 -2.10 0.02 0.00 -1.81 0.00 0.00 61.98 58.44 1m5z s VAL 40 Cb -0.11 -2.56 -0.00 0.00 0.56 0.00 0.00 36.38 34.26 1m5z s VAL 40 CO 0.29 -0.35 0.08 0.00 -0.31 0.00 0.00 175.10 174.81 1m5z s ALA 41 N -2.32 4.17 0.02 1.32 0.00 0.39 -4.60 121.76 120.74 1m5z s ALA 41 Ca 0.30 -0.57 -0.07 0.00 0.00 0.00 0.00 51.96 51.62 1m5z s ALA 41 Cb -0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 1m5z s ALA 41 CO 0.17 -0.10 0.29 -0.51 0.00 0.00 0.00 175.76 175.60 1m5z s ASP 42 N -3.96 6.51 -0.31 0.00 1.01 -1.26 -2.74 116.67 115.92 1m5z s ASP 42 Ca 0.12 0.58 -0.10 0.00 0.71 0.00 0.00 52.55 53.86 1m5z s ASP 42 Cb 0.01 -2.10 -0.01 0.00 1.01 0.00 0.00 42.92 41.83 1m5z s ASP 42 CO 0.07 0.24 0.16 -0.83 0.21 0.00 0.00 175.17 175.01 1m5z s GLY 43 N -1.73 1.87 -0.21 0.21 0.00 0.29 -4.88 107.32 102.87 1m5z s GLY 43 Ca 0.28 -1.40 -0.12 0.00 0.00 0.00 0.00 44.72 43.49 1m5z s GLY 43 CO 0.17 0.70 0.03 -0.10 0.00 0.00 0.00 173.10 173.90 1m5z n LEU 44 N 4.99 2.28 -0.27 0.66 0.00 -1.26 -2.37 117.00 121.03 1m5z n LEU 44 Ca -0.14 0.25 0.09 0.00 0.00 0.00 0.00 56.01 56.21 1m5z n LEU 44 Cb 0.49 -0.96 0.43 0.00 0.00 0.00 0.00 43.42 43.38 1m5z n LEU 44 CO 0.34 0.62 0.79 0.18 0.00 0.00 0.00 177.39 179.32 1m5z n LEU 45 N -3.94 0.81 -0.69 -1.96 7.99 -1.26 -3.87 117.00 114.09 1m5z n LEU 45 Ca -0.40 -0.34 -0.01 0.00 -0.01 0.00 0.00 56.01 55.24 1m5z n LEU 45 Cb 0.88 -0.06 -0.01 0.00 -0.11 0.00 0.00 43.42 44.12 1m5z n LEU 45 CO 0.22 0.17 0.25 -0.62 -1.51 0.00 0.00 177.39 175.91 1m5z n GLU 46 N -0.23 0.00 -1.54 3.23 1.02 -1.26 -5.07 120.64 116.79 1m5z n GLU 46 Ca 0.14 -0.60 -0.08 0.00 -0.02 0.00 0.00 57.16 56.60 1m5z n GLU 46 Cb 0.19 -0.01 0.01 0.00 -0.02 0.00 0.00 31.44 31.61 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 0.04 -0.39 0.00 3.49 4.76 -1.00 -4.85 118.16 120.21 1m5z n LYS 47 Ca -0.05 0.29 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 1m5z n LYS 47 Cb 0.64 -0.41 0.00 0.00 -1.84 0.00 0.00 35.03 33.42 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 -0.05 1.74 3.00 0.72 0.00 -1.13 -4.25 105.19 105.22 1m5z n GLY 48 Ca -0.02 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.05 -0.00 0.22 1.61 1.01 -1.24 0.11 120.40 120.06 1m5z s VAL 49 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1m5z s VAL 49 Cb 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 1m5z s VAL 49 CO 0.00 0.00 0.08 -0.31 0.00 0.00 0.00 175.10 174.88 1m5z s TYR 50 N 0.13 1.37 -0.12 5.22 2.02 -1.11 -2.63 117.35 122.23 1m5z s TYR 50 Ca -0.01 -1.19 -0.29 0.00 -0.37 0.00 0.00 57.07 55.21 1m5z s TYR 50 Cb -0.02 -0.77 -0.02 0.00 -0.40 0.00 0.00 41.96 40.75 1m5z s TYR 50 CO -0.00 -0.37 1.29 0.08 -1.57 0.00 0.00 175.55 174.98 1m5z s VAL 51 N -3.82 4.17 -0.04 0.71 1.01 -1.12 0.15 120.40 121.45 1m5z s VAL 51 Ca 0.34 1.45 0.09 0.00 0.00 0.00 0.00 61.98 63.86 1m5z s VAL 51 Cb 0.07 -3.93 -0.24 0.00 0.00 0.00 0.00 36.38 32.29 1m5z s VAL 51 CO 0.11 -0.09 0.66 0.07 0.00 0.00 0.00 175.10 175.85 1m5z h LYS 52 N 8.13 0.04 -2.65 2.72 2.10 0.96 -2.16 116.57 125.72 1m5z h LYS 52 Ca -0.30 -0.08 0.07 0.00 -2.00 0.00 0.00 60.65 58.34 1m5z h LYS 52 Cb 1.13 0.03 -0.12 0.00 -0.90 0.00 0.00 32.23 32.37 1m5z h LYS 52 CO 0.94 0.63 0.35 -0.80 -2.00 0.00 0.00 179.45 178.58 1m5z s ASN 53 N -6.28 -0.39 -0.02 7.07 0.01 -0.96 -4.97 114.94 109.40 1m5z s ASN 53 Ca -0.07 -0.15 0.02 0.00 -0.71 0.00 0.00 52.86 51.95 1m5z s ASN 53 Cb 0.08 0.53 0.00 0.00 0.41 0.00 0.00 41.25 42.27 1m5z s ASN 53 CO 0.82 -0.89 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.82 1m5z s ILE 54 N -3.48 0.58 0.05 0.60 1.01 -1.26 0.41 121.20 119.10 1m5z s ILE 54 Ca 0.06 -0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.14 1m5z s ILE 54 Cb -0.02 -0.52 -0.08 0.00 0.01 0.00 0.00 42.46 41.86 1m5z s ILE 54 CO -0.06 0.18 1.69 -0.60 0.00 0.00 0.00 174.94 176.15 1m5z s ARG 55 N 0.14 4.19 -0.36 2.79 6.06 0.17 -4.89 118.95 127.05 1m5z s ARG 55 Ca -0.02 2.35 -0.28 0.00 -2.50 0.00 0.00 55.73 55.28 1m5z s ARG 55 Cb -0.06 -3.70 -0.07 0.00 0.06 0.00 0.00 34.95 31.17 1m5z s ARG 55 CO -0.00 -0.78 2.31 -2.30 -2.50 0.00 0.00 175.30 172.03 1m5z n PRO 56 N 6.00 1.47 -1.64 5.12 -0.02 -1.26 -0.91 135.00 143.76 1m5z n PRO 56 Ca 0.16 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1m5z n PRO 56 Cb 0.41 -3.20 0.00 0.00 -0.02 0.00 0.00 33.50 30.69 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 13.12 0.00 -3.34 3.55 0.00 -1.26 -5.07 120.51 127.51 1m5z n ALA 57 Ca 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.70 1m5z n ALA 57 Cb 0.45 -0.44 0.01 0.00 0.00 0.00 0.00 19.45 19.47 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 -1.27 2.47 0.32 0.00 0.00 -0.09 -4.88 105.19 101.74 1m5z n GLY 58 Ca 0.00 -2.19 0.11 0.00 0.00 0.00 0.00 46.02 43.94 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 0.51 -0.48 1.61 0.11 -1.83 0.80 132.00 132.72 1m5z h PRO 59 Ca -0.11 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.91 1m5z h PRO 59 Cb 0.44 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 1m5z h PRO 59 CO 0.16 0.34 0.06 0.78 -0.21 0.00 0.00 178.00 179.13 1m5z h GLY 60 N 0.53 0.81 1.76 -0.55 0.00 -1.66 -1.72 103.07 102.23 1m5z h GLY 60 Ca 0.53 -0.49 -0.17 0.00 0.00 0.00 0.00 47.33 47.21 1m5z h GLY 60 CO -0.45 0.46 -0.72 -1.80 0.00 0.00 0.00 176.54 174.03 1m5z h ASP 61 N 0.72 0.28 0.05 0.19 1.82 -1.15 -0.28 116.42 118.05 1m5z h ASP 61 Ca 0.15 -0.19 -0.12 0.00 -0.39 0.00 0.00 57.03 56.49 1m5z h ASP 61 Cb 0.35 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.26 1m5z h ASP 61 CO 0.01 0.91 -0.37 -0.07 -1.61 0.00 0.00 179.24 178.10 1m5z h LEU 62 N 0.16 0.46 0.07 2.28 3.38 -0.60 -3.28 115.31 117.77 1m5z h LEU 62 Ca -0.02 -0.19 -0.18 0.00 0.09 0.00 0.00 57.88 57.58 1m5z h LEU 62 Cb 1.27 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1m5z h LEU 62 CO 0.11 0.79 -0.91 1.23 0.09 0.00 0.00 178.44 179.75 1m5z h GLY 63 N 1.10 0.17 0.00 0.83 0.00 -1.26 -3.49 103.07 100.42 1m5z h GLY 63 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1m5z h GLY 63 CO 0.07 0.37 0.00 0.61 0.00 0.00 0.00 176.54 177.59 1m5z n GLY 64 N 1.63 1.43 3.73 4.60 0.00 -0.28 -5.04 105.19 111.27 1m5z n GLY 64 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 4.44 0.21 0.99 1.43 -0.28 -5.04 118.68 120.43 1m5z s LEU 65 Ca 0.00 2.01 0.11 0.00 -1.03 0.00 0.00 54.13 55.22 1m5z s LEU 65 Cb 0.00 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 1m5z s LEU 65 CO 0.00 -0.29 -0.17 -0.54 0.23 0.00 0.00 176.35 175.58 1m5z s LYS 66 N 0.20 1.76 0.52 1.70 1.02 -1.26 -4.82 119.74 118.86 1m5z s LYS 66 Ca 0.52 -1.49 -0.22 0.00 0.02 0.00 0.00 55.97 54.81 1m5z s LYS 66 Cb -0.28 -1.94 -0.07 0.00 -0.52 0.00 0.00 37.83 35.01 1m5z s LYS 66 CO 0.32 0.39 1.10 -0.35 -0.92 0.00 0.00 175.35 175.90 1m5z n PRO 67 N -0.05 1.33 -0.35 -1.68 -0.04 -1.26 -2.28 135.00 130.66 1m5z n PRO 67 Ca -0.10 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1m5z n PRO 67 Cb 0.57 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 1m5z n PRO 67 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1m5z n TYR 68 N -1.05 0.00 -1.48 0.54 4.01 -0.81 -4.92 117.16 113.44 1m5z n TYR 68 Ca 0.11 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.72 1m5z n TYR 68 Cb 0.44 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.36 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 0.60 -4.56 7.72 9.92 -0.96 -4.43 116.55 124.84 1m5z n ASP 69 Ca 0.00 -1.64 -0.39 0.00 -0.53 0.00 0.00 54.79 52.23 1m5z n ASP 69 Cb 0.00 -1.36 -0.03 0.00 -0.64 0.00 0.00 41.12 39.09 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 7.98 2.80 -0.30 -1.24 3.52 -0.55 -2.79 118.95 128.37 1m5z s ARG 70 Ca 0.84 0.55 -0.28 0.00 -0.13 0.00 0.00 55.73 56.71 1m5z s ARG 70 Cb -0.21 -4.33 -0.06 0.00 -1.56 0.00 0.00 34.95 28.79 1m5z s ARG 70 CO 0.19 -2.54 2.27 1.28 -0.81 0.00 0.00 175.30 175.69 1m5z n LEU 71 N 11.92 2.92 -0.02 -0.88 4.77 -1.08 -0.92 117.00 133.71 1m5z n LEU 71 Ca 0.18 0.06 -0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1m5z n LEU 71 Cb 0.51 -1.53 -0.00 0.00 -2.33 0.00 0.00 43.42 40.07 1m5z n LEU 71 CO 0.71 -0.89 -0.04 -0.07 -1.33 0.00 0.00 177.39 175.77 1m5z h LEU 72 N 15.84 0.00 -8.29 2.23 3.38 -1.06 -3.31 115.31 124.10 1m5z h LEU 72 Ca -0.36 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 56.94 1m5z h LEU 72 Cb 1.25 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.67 1m5z h LEU 72 CO 1.01 0.25 -0.87 0.00 0.09 0.00 0.00 178.44 178.93 1m5z s GLN 73 N -1.32 3.06 -0.30 1.13 -2.07 -1.05 0.86 119.66 119.97 1m5z s GLN 73 Ca -0.02 -0.85 0.03 0.00 -1.82 0.00 0.00 55.36 52.70 1m5z s GLN 73 Cb 0.00 -2.39 0.08 0.00 -1.09 0.00 0.00 33.01 29.61 1m5z s GLN 73 CO 0.02 0.08 -0.02 0.08 -1.32 0.00 0.00 175.29 174.14 1m5z s VAL 74 N 0.58 2.24 -1.14 3.63 1.01 0.83 -0.06 120.40 127.49 1m5z s VAL 74 Ca -0.13 -2.01 -0.05 0.00 0.00 0.00 0.00 61.98 59.79 1m5z s VAL 74 Cb -0.17 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.71 1m5z s VAL 74 CO 0.03 -0.33 0.63 0.59 0.00 0.00 0.00 175.10 176.02 1m5z n ASN 75 N 4.34 -5.19 0.00 3.32 3.02 0.96 -1.88 115.26 119.82 1m5z n ASN 75 Ca -0.04 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.21 1m5z n ASN 75 Cb 0.42 -3.95 0.00 0.00 -0.61 0.00 0.00 39.78 35.64 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 -4.30 0.00 -2.79 3.10 -0.00 -1.26 -5.01 115.22 104.97 1m5z n HIS 76 Ca -0.05 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.70 1m5z n HIS 76 Cb 0.58 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.41 1m5z n HIS 76 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1m5z s VAL 77 N -2.22 4.56 -0.98 3.57 1.01 -0.79 -4.96 120.40 120.60 1m5z s VAL 77 Ca 0.00 1.21 -0.24 0.00 0.00 0.00 0.00 61.98 62.95 1m5z s VAL 77 Cb 0.00 -4.36 -0.07 0.00 0.00 0.00 0.00 36.38 31.95 1m5z s VAL 77 CO 0.00 -0.57 1.97 -0.13 0.00 0.00 0.00 175.10 176.37 1m5z s ARG 78 N 3.55 2.45 -0.40 2.72 0.52 -1.26 -0.12 118.95 126.41 1m5z s ARG 78 Ca 0.39 -0.49 0.02 0.00 -0.52 0.00 0.00 55.73 55.13 1m5z s ARG 78 Cb -0.12 -5.10 0.50 0.00 0.52 0.00 0.00 34.95 30.76 1m5z s ARG 78 CO 0.19 -3.66 1.80 0.25 0.02 0.00 0.00 175.30 173.90 1m5z n THR 79 N 7.94 2.88 0.12 0.02 -2.24 0.25 -4.53 114.28 118.71 1m5z n THR 79 Ca 0.42 -1.72 -0.13 0.00 -2.27 0.00 0.00 64.05 60.35 1m5z n THR 79 Cb 0.47 -0.71 -0.08 0.00 -2.10 0.00 0.00 70.33 67.90 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 1.01 -0.29 -0.79 -0.78 3.08 -0.95 -3.06 114.38 112.59 1m5z h ARG 80 Ca 0.51 0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.48 1m5z h ARG 80 Cb 2.16 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 32.21 1m5z h ARG 80 CO 0.97 0.02 0.12 -0.40 -1.07 0.00 0.00 179.97 179.61 1m5z n ASP 81 N -5.08 4.04 -4.90 7.04 5.68 -1.26 -4.25 116.55 117.81 1m5z n ASP 81 Ca -0.09 -2.76 -0.28 0.00 -0.50 0.00 0.00 54.79 51.16 1m5z n ASP 81 Cb 0.23 -0.66 0.07 0.00 -1.14 0.00 0.00 41.12 39.62 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 -2.21 3.07 0.27 2.11 0.40 -1.16 -4.70 117.98 115.77 1m5z s PHE 82 Ca 0.38 0.74 0.07 0.00 -0.60 0.00 0.00 56.93 57.52 1m5z s PHE 82 Cb 0.30 -3.23 -0.04 0.00 0.51 0.00 0.00 43.02 40.56 1m5z s PHE 82 CO 0.10 -1.42 0.18 -0.51 0.70 0.00 0.00 175.22 174.27 1m5z s ASP 83 N -4.48 5.34 0.28 1.36 1.11 -1.26 -3.71 116.67 115.32 1m5z s ASP 83 Ca 0.60 -0.35 0.02 0.00 0.18 0.00 0.00 52.55 53.00 1m5z s ASP 83 Cb -0.11 -1.25 0.64 0.00 1.07 0.00 0.00 42.92 43.27 1m5z s ASP 83 CO 0.48 -0.09 1.77 0.00 1.18 0.00 0.00 175.17 178.51 1m5z n LEU 86 N -3.59 0.73 0.10 0.00 4.32 0.18 -4.12 117.00 114.62 1m5z n LEU 86 Ca -0.02 0.23 -0.17 0.00 -0.02 0.00 0.00 56.01 56.04 1m5z n LEU 86 Cb 0.16 0.18 -0.12 0.00 -1.62 0.00 0.00 43.42 42.02 1m5z n LEU 86 CO 0.27 0.47 -0.01 0.58 -1.22 0.00 0.00 177.39 177.48 1m5z h VAL 87 N 0.00 1.44 -0.02 4.08 2.07 0.14 -2.58 116.25 121.39 1m5z h VAL 87 Ca -0.40 -2.85 0.02 0.00 0.82 0.00 0.00 66.70 64.29 1m5z h VAL 87 Cb 2.10 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 34.67 1m5z h VAL 87 CO 0.06 0.84 -0.08 0.58 0.02 0.00 0.00 177.57 178.99 1m5z h VAL 88 N 0.13 0.80 -0.17 2.57 2.07 -0.61 0.24 116.25 121.28 1m5z h VAL 88 Ca -0.14 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 1m5z h VAL 88 Cb 1.90 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1m5z h VAL 88 CO 0.20 0.00 -0.11 -0.65 0.02 0.00 0.00 177.57 177.03 1m5z h PRO 89 N -0.12 0.37 -0.66 1.57 0.11 -1.72 -2.25 132.00 129.30 1m5z h PRO 89 Ca 0.04 -0.18 0.14 0.00 0.11 0.00 0.00 66.00 66.11 1m5z h PRO 89 Cb 0.17 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.24 1m5z h PRO 89 CO -0.09 0.71 0.45 -0.07 -0.21 0.00 0.00 178.00 178.79 1m5z h LEU 90 N 0.04 0.29 -0.05 2.35 3.38 -1.35 0.27 115.31 120.23 1m5z h LEU 90 Ca 0.03 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1m5z h LEU 90 Cb 0.62 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1m5z h LEU 90 CO 0.03 0.16 -0.25 0.40 0.09 0.00 0.00 178.44 178.87 1m5z h ILE 91 N 0.32 1.45 0.00 1.22 2.04 -0.79 -3.02 117.51 118.72 1m5z h ILE 91 Ca 0.32 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.50 1m5z h ILE 91 Cb 0.81 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 1m5z h ILE 91 CO -0.08 0.47 0.00 0.00 0.00 0.00 0.00 178.15 178.54 1m5z n ALA 92 N -2.49 2.27 0.89 1.87 0.00 -0.52 -2.68 120.51 119.86 1m5z n ALA 92 Ca -0.08 -0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.32 1m5z n ALA 92 Cb 0.46 -1.39 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.20 1.10 0.21 0.00 -0.58 0.83 -4.31 120.64 116.68 1m5z n GLU 93 Ca 0.14 -0.49 0.15 0.00 -0.42 0.00 0.00 57.16 56.53 1m5z n GLU 93 Cb 0.16 -1.40 0.70 0.00 -0.57 0.00 0.00 31.44 30.33 1m5z n GLU 93 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1m5z h SER 94 N 1.16 0.00 0.00 1.62 4.64 -1.38 -3.48 113.55 116.11 1m5z h SER 94 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1m5z h SER 94 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1m5z h SER 94 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1m5z n GLY 95 N -0.67 0.45 0.00 -0.77 0.00 -1.26 -4.01 105.19 98.93 1m5z n GLY 95 Ca -0.00 -1.47 0.10 0.00 0.00 0.00 0.00 46.02 44.65 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 0.94 0.00 -3.86 1.61 3.02 -1.26 -4.28 115.26 111.43 1m5z n ASN 96 Ca 0.00 0.36 -0.12 0.00 -0.03 0.00 0.00 54.58 54.79 1m5z n ASN 96 Cb 0.00 -0.44 -0.13 0.00 -0.61 0.00 0.00 39.78 38.60 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 -2.88 0.14 -0.40 3.52 1.02 -1.26 -0.10 119.74 119.79 1m5z s LYS 97 Ca 0.13 -0.01 0.04 0.00 0.02 0.00 0.00 55.97 56.15 1m5z s LYS 97 Cb 0.14 0.06 0.11 0.00 -0.52 0.00 0.00 37.83 37.62 1m5z s LYS 97 CO 0.37 -0.02 0.12 -1.17 -0.92 0.00 0.00 175.35 173.73 1m5z s LEU 98 N -0.23 4.68 -0.29 3.17 0.20 0.94 -4.63 118.68 122.52 1m5z s LEU 98 Ca -0.03 -2.40 -0.19 0.00 0.69 0.00 0.00 54.13 52.21 1m5z s LEU 98 Cb -0.02 -1.65 -0.02 0.00 -0.43 0.00 0.00 46.19 44.08 1m5z s LEU 98 CO 0.00 -0.35 0.55 -1.81 -0.29 0.00 0.00 176.35 174.45 1m5z s ASP 99 N 0.61 6.43 0.14 3.68 1.11 -1.26 -1.44 116.67 125.94 1m5z s ASP 99 Ca 0.13 0.40 -0.14 0.00 0.18 0.00 0.00 52.55 53.12 1m5z s ASP 99 Cb -0.21 -2.29 0.02 0.00 1.07 0.00 0.00 42.92 41.51 1m5z s ASP 99 CO -0.06 -0.38 0.37 -1.48 1.18 0.00 0.00 175.17 174.81 1m5z s LEU 100 N 2.41 0.60 -0.26 1.23 0.05 0.19 -0.03 118.68 122.86 1m5z s LEU 100 Ca 0.22 -0.52 0.03 0.00 0.05 0.00 0.00 54.13 53.90 1m5z s LEU 100 Cb -0.15 1.66 0.06 0.00 -2.05 0.00 0.00 46.19 45.71 1m5z s LEU 100 CO 0.11 -0.89 -0.08 -0.69 -0.55 0.00 0.00 176.35 174.25 1m5z s VAL 101 N -3.86 2.01 0.41 1.48 1.01 0.91 -0.28 120.40 122.08 1m5z s VAL 101 Ca 0.08 -1.60 0.08 0.00 0.00 0.00 0.00 61.98 60.53 1m5z s VAL 101 Cb 0.02 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1m5z s VAL 101 CO -0.07 -0.10 0.53 0.27 0.00 0.00 0.00 175.10 175.72 1m5z s ILE 102 N 1.16 3.10 -0.10 2.22 -5.25 -0.89 -0.51 121.20 120.93 1m5z s ILE 102 Ca -0.06 -1.05 -0.04 0.00 -0.99 0.00 0.00 60.65 58.50 1m5z s ILE 102 Cb -0.20 -3.05 0.05 0.00 2.95 0.00 0.00 42.46 42.21 1m5z s ILE 102 CO -0.06 -0.02 0.22 -0.44 -1.79 0.00 0.00 174.94 172.85 1m5z s SER 103 N -4.29 -0.09 0.01 4.36 0.01 -0.10 0.77 113.70 114.37 1m5z s SER 103 Ca 0.53 0.46 -0.13 0.00 1.31 0.00 0.00 55.95 58.11 1m5z s SER 103 Cb -0.09 0.37 0.02 0.00 0.21 0.00 0.00 66.02 66.53 1m5z s SER 103 CO 0.32 -0.17 0.28 0.00 0.41 0.00 0.00 173.24 174.08 1m5z s ARG 104 N 1.43 0.69 -0.12 12.44 1.70 -0.92 -1.48 118.95 132.70 1m5z s ARG 104 Ca -0.07 -0.33 -0.29 0.00 -0.47 0.00 0.00 55.73 54.56 1m5z s ARG 104 Cb -0.11 0.30 -0.06 0.00 -0.57 0.00 0.00 34.95 34.51 1m5z s ARG 104 CO -0.08 -0.20 1.97 0.54 -1.08 0.00 0.00 175.30 176.45 1m5z s ASN 105 N -1.60 6.07 0.00 -2.89 2.20 -1.26 0.43 114.94 117.88 1m5z s ASN 105 Ca -0.11 2.11 0.17 0.00 -0.94 0.00 0.00 52.86 54.10 1m5z s ASN 105 Cb -0.04 -2.52 1.01 0.00 -2.00 0.00 0.00 41.25 37.70 1m5z s ASN 105 CO 0.01 -1.44 1.42 -0.81 -2.94 0.00 0.00 177.10 173.34