#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m5z s PRO 17 N 0.00 3.43 0.60 -1.46 0.04 -1.26 -4.74 135.00 131.62 1m5z s PRO 17 Ca 0.00 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1m5z s PRO 17 Cb 0.00 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1m5z s PRO 17 CO 0.00 -1.74 0.00 2.41 0.04 0.00 0.00 177.00 177.71 1m5z n THR 18 N 7.25 -2.96 0.00 1.26 -1.04 -1.26 -4.93 114.28 112.60 1m5z n THR 18 Ca 0.20 1.48 0.00 0.00 -2.04 0.00 0.00 64.05 63.69 1m5z n THR 18 Cb 0.47 -2.47 0.00 0.00 -1.82 0.00 0.00 70.33 66.51 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 -2.66 2.85 -1.00 -2.82 -0.02 -1.26 -4.82 135.00 125.28 1m5z n PRO 19 Ca -0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 1m5z n PRO 19 Cb 0.50 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.99 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 0.00 0.00 -4.37 -1.45 0.24 -1.26 -4.64 118.33 106.85 1m5z n VAL 20 Ca 0.00 -0.42 -0.33 0.00 -2.04 0.00 0.00 64.34 61.55 1m5z n VAL 20 Cb 0.00 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.21 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 -1.11 3.05 0.30 7.34 2.02 0.17 -4.72 118.70 125.75 1m5z s GLU 21 Ca 0.44 -0.82 -0.30 0.00 0.02 0.00 0.00 54.97 54.31 1m5z s GLU 21 Cb -0.34 -2.55 -0.11 0.00 0.10 0.00 0.00 34.13 31.23 1m5z s GLU 21 CO 0.60 -0.11 1.58 -0.51 0.02 0.00 0.00 175.26 176.85 1m5z s LEU 22 N 1.06 4.34 -0.17 1.80 1.43 -1.26 -2.09 118.68 123.80 1m5z s LEU 22 Ca -0.01 2.95 -0.04 0.00 -1.03 0.00 0.00 54.13 56.00 1m5z s LEU 22 Cb -0.14 -3.64 0.08 0.00 0.03 0.00 0.00 46.19 42.52 1m5z s LEU 22 CO -0.07 -0.90 0.18 -1.00 0.23 0.00 0.00 176.35 174.79 1m5z s HIS 23 N -0.08 -0.17 -0.35 0.29 3.76 0.60 -4.97 115.29 114.38 1m5z s HIS 23 Ca 0.62 0.20 -0.29 0.00 -0.15 0.00 0.00 55.06 55.44 1m5z s HIS 23 Cb -0.47 -0.40 -0.00 0.00 1.11 0.00 0.00 32.58 32.81 1m5z s HIS 23 CO 0.49 -0.52 1.54 0.21 -0.85 0.00 0.00 174.74 175.61 1m5z s LYS 24 N 2.28 3.58 -0.04 1.40 2.20 -1.26 -2.21 119.74 125.70 1m5z s LYS 24 Ca 0.05 1.22 0.06 0.00 -0.36 0.00 0.00 55.97 56.94 1m5z s LYS 24 Cb -0.15 -4.06 -0.02 0.00 -1.51 0.00 0.00 37.83 32.09 1m5z s LYS 24 CO -0.10 -1.55 -0.21 0.14 -0.36 0.00 0.00 175.35 173.26 1m5z s VAL 25 N 5.68 2.45 -0.24 4.02 -7.23 -0.14 -5.01 120.40 119.94 1m5z s VAL 25 Ca 0.67 -0.95 -0.02 0.00 -1.81 0.00 0.00 61.98 59.87 1m5z s VAL 25 Cb -0.18 -1.90 0.07 0.00 0.56 0.00 0.00 36.38 34.93 1m5z s VAL 25 CO 0.31 0.58 0.05 -0.89 -0.31 0.00 0.00 175.10 174.84 1m5z s THR 26 N -0.61 0.72 0.51 5.32 2.01 -1.25 -0.72 115.64 121.60 1m5z s THR 26 Ca 0.09 -0.88 0.08 0.00 0.31 0.00 0.00 61.69 61.29 1m5z s THR 26 Cb -0.11 -1.30 0.05 0.00 0.01 0.00 0.00 72.50 71.15 1m5z s THR 26 CO -0.00 -0.35 0.70 -0.76 -0.69 0.00 0.00 174.62 173.51 1m5z s LEU 27 N 1.75 3.37 -0.01 4.42 1.02 -0.29 -4.67 118.68 124.27 1m5z s LEU 27 Ca 0.02 -0.57 0.03 0.00 0.02 0.00 0.00 54.13 53.63 1m5z s LEU 27 Cb -0.17 -2.21 -0.01 0.00 0.02 0.00 0.00 46.19 43.82 1m5z s LEU 27 CO -0.14 -1.09 -0.11 -0.31 0.02 0.00 0.00 176.35 174.72 1m5z s TYR 28 N -2.55 1.01 0.34 0.29 2.02 -1.26 0.17 117.35 117.37 1m5z s TYR 28 Ca 0.59 -0.19 0.08 0.00 -0.37 0.00 0.00 57.07 57.17 1m5z s TYR 28 Cb -0.08 -0.65 -0.04 0.00 -0.40 0.00 0.00 41.96 40.79 1m5z s TYR 28 CO 0.36 -0.02 0.21 0.21 -1.57 0.00 0.00 175.55 174.75 1m5z s LYS 29 N -0.29 2.52 -0.03 -0.62 2.20 0.35 -4.77 119.74 119.10 1m5z s LYS 29 Ca 0.04 -1.44 0.05 0.00 -0.36 0.00 0.00 55.97 54.26 1m5z s LYS 29 Cb -0.04 -2.31 -0.01 0.00 -1.51 0.00 0.00 37.83 33.96 1m5z s LYS 29 CO -0.00 0.10 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.39 1m5z s ASP 30 N -3.92 2.20 -0.92 1.43 1.11 -1.26 -4.71 116.67 110.60 1m5z s ASP 30 Ca 0.39 -0.35 -0.26 0.00 0.18 0.00 0.00 52.55 52.51 1m5z s ASP 30 Cb -0.04 -0.46 -0.19 0.00 1.07 0.00 0.00 42.92 43.30 1m5z s ASP 30 CO 0.24 0.19 2.25 -1.20 1.18 0.00 0.00 175.17 177.83 1m5z n SER 31 N 2.92 1.45 0.00 0.27 7.64 -1.26 -0.83 113.62 123.82 1m5z n SER 31 Ca -0.17 -1.94 0.00 0.00 1.01 0.00 0.00 58.87 57.77 1m5z n SER 31 Cb 0.53 -1.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 1m5z n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1m5z n GLY 32 N 6.43 0.91 3.90 0.23 0.00 -1.26 -5.15 105.19 110.26 1m5z n GLY 32 Ca 0.44 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 2.52 0.05 1.61 1.00 -0.01 -5.00 119.30 119.47 1m5z s MET 33 Ca 0.00 0.19 0.19 0.00 0.00 0.00 0.00 55.69 56.07 1m5z s MET 33 Cb 0.00 -2.06 -0.15 0.00 0.00 0.00 0.00 34.83 32.62 1m5z s MET 33 CO 0.00 -1.17 0.74 0.39 0.00 0.00 0.00 175.02 174.97 1m5z n GLU 34 N -3.02 0.63 -0.88 2.03 1.02 -1.26 -5.01 120.64 114.15 1m5z n GLU 34 Ca 0.07 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1m5z n GLU 34 Cb 0.59 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1m5z n GLU 34 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1m5z n ASP 35 N -2.75 0.00 -1.97 1.62 -0.08 -1.26 -5.04 116.55 107.07 1m5z n ASP 35 Ca -0.09 -0.79 -0.20 0.00 -1.51 0.00 0.00 54.79 52.20 1m5z n ASP 35 Cb 0.78 0.00 0.17 0.00 2.34 0.00 0.00 41.12 44.41 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 2.59 -0.53 -0.67 -0.00 -1.26 -4.80 117.46 112.79 1m5z n PHE 36 Ca 0.00 -1.90 0.00 0.00 -0.00 0.00 0.00 57.45 55.55 1m5z n PHE 36 Cb 0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 39.48 38.61 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 -1.12 0.76 3.59 7.13 0.00 -1.26 -3.88 105.19 110.41 1m5z n GLY 37 Ca 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.49 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 -3.05 -0.23 0.10 1.61 -0.71 -1.26 -0.58 117.98 113.86 1m5z s PHE 38 Ca 0.00 0.32 0.10 0.00 -1.04 0.00 0.00 56.93 56.30 1m5z s PHE 38 Cb 0.00 0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 1m5z s PHE 38 CO 0.00 -0.27 -0.25 -1.54 -1.34 0.00 0.00 175.22 171.83 1m5z s SER 39 N -1.53 3.42 0.23 1.98 1.04 0.16 -4.97 113.70 114.03 1m5z s SER 39 Ca 0.04 -0.65 0.09 0.00 0.48 0.00 0.00 55.95 55.92 1m5z s SER 39 Cb -0.01 -0.33 -0.04 0.00 0.10 0.00 0.00 66.02 65.74 1m5z s SER 39 CO -0.03 0.21 -0.04 0.68 0.98 0.00 0.00 173.24 175.04 1m5z s VAL 40 N -0.99 3.38 0.52 5.02 -7.23 -1.26 0.89 120.40 120.73 1m5z s VAL 40 Ca 0.14 -1.79 0.04 0.00 -1.81 0.00 0.00 61.98 58.56 1m5z s VAL 40 Cb -0.10 -2.75 0.01 0.00 0.56 0.00 0.00 36.38 34.10 1m5z s VAL 40 CO 0.06 -0.26 0.23 0.00 -0.31 0.00 0.00 175.10 174.81 1m5z s ALA 41 N -2.06 4.22 0.56 1.32 0.00 0.33 -4.83 121.76 121.29 1m5z s ALA 41 Ca 0.29 -1.02 -0.08 0.00 0.00 0.00 0.00 51.96 51.15 1m5z s ALA 41 Cb -0.07 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 1m5z s ALA 41 CO 0.18 -0.25 0.92 0.34 0.00 0.00 0.00 175.76 176.94 1m5z s ASP 42 N -4.09 6.12 -0.19 0.00 2.15 -1.26 -2.38 116.67 117.01 1m5z s ASP 42 Ca 0.24 1.11 0.01 0.00 0.43 0.00 0.00 52.55 54.34 1m5z s ASP 42 Cb -0.00 -2.25 0.04 0.00 -0.30 0.00 0.00 42.92 40.41 1m5z s ASP 42 CO 0.14 -0.80 -0.11 -0.83 -0.17 0.00 0.00 175.17 173.40 1m5z s GLY 43 N -4.18 1.25 -0.15 2.66 0.00 0.30 -4.77 107.32 102.43 1m5z s GLY 43 Ca 0.52 -1.17 0.06 0.00 0.00 0.00 0.00 44.72 44.12 1m5z s GLY 43 CO 0.49 0.67 0.24 -0.10 0.00 0.00 0.00 173.10 174.41 1m5z n LEU 44 N 4.69 1.69 -0.07 0.66 -0.00 -1.26 -2.68 117.00 120.03 1m5z n LEU 44 Ca -0.15 0.14 -0.12 0.00 -0.00 0.00 0.00 56.01 55.88 1m5z n LEU 44 Cb 0.47 -0.39 -0.08 0.00 -0.00 0.00 0.00 43.42 43.42 1m5z n LEU 44 CO 0.20 0.68 -0.06 0.25 -0.00 0.00 0.00 177.39 178.46 1m5z h LEU 45 N 0.02 0.00 -2.03 -1.96 5.85 -1.98 -3.35 115.31 111.87 1m5z h LEU 45 Ca -0.45 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 57.78 1m5z h LEU 45 Cb 2.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.07 1m5z h LEU 45 CO 0.03 0.98 0.00 -0.62 -0.34 0.00 0.00 178.44 178.50 1m5z n GLU 46 N -4.60 2.66 -2.02 1.25 -0.58 -1.26 -4.98 120.64 111.11 1m5z n GLU 46 Ca -0.13 -1.58 -0.13 0.00 -0.42 0.00 0.00 57.16 54.90 1m5z n GLU 46 Cb 0.39 -1.69 0.01 0.00 -0.57 0.00 0.00 31.44 29.59 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 0.45 -0.65 -0.28 3.49 4.76 -1.17 -4.85 118.16 119.91 1m5z n LYS 47 Ca 0.14 0.56 0.00 0.00 -2.87 0.00 0.00 58.31 56.14 1m5z n LYS 47 Cb 0.60 -0.77 0.00 0.00 -1.84 0.00 0.00 35.03 33.03 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 0.19 -0.72 2.90 0.72 0.00 -1.09 -4.52 105.19 102.67 1m5z n GLY 48 Ca -0.03 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.91 0.17 0.10 1.61 1.01 -1.24 0.11 120.40 118.24 1m5z s VAL 49 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 1m5z s VAL 49 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.19 1m5z s VAL 49 CO 0.00 0.05 0.01 -0.31 0.00 0.00 0.00 175.10 174.85 1m5z s TYR 50 N -0.03 0.73 0.94 5.22 1.51 -1.00 -2.43 117.35 122.29 1m5z s TYR 50 Ca 0.01 -1.14 -0.11 0.00 -1.01 0.00 0.00 57.07 54.82 1m5z s TYR 50 Cb -0.01 -0.46 0.16 0.00 -0.11 0.00 0.00 41.96 41.54 1m5z s TYR 50 CO -0.00 -0.42 1.11 0.08 -1.11 0.00 0.00 175.55 175.21 1m5z s VAL 51 N -3.95 2.26 0.00 0.71 1.01 -1.18 0.12 120.40 119.36 1m5z s VAL 51 Ca 0.16 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1m5z s VAL 51 Cb 0.08 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.25 1m5z s VAL 51 CO -0.04 -0.11 0.00 2.29 0.00 0.00 0.00 175.10 177.25 1m5z n LYS 52 N -4.25 0.00 -3.81 2.72 2.85 0.26 -2.89 118.16 113.04 1m5z n LYS 52 Ca 0.10 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.23 1m5z n LYS 52 Cb 0.53 -0.33 -0.13 0.00 -0.65 0.00 0.00 35.03 34.46 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 -1.70 -0.17 -0.03 -5.58 0.01 -0.97 -4.90 114.94 101.61 1m5z s ASN 53 Ca 0.00 0.33 0.02 0.00 -0.71 0.00 0.00 52.86 52.50 1m5z s ASN 53 Cb 0.00 0.32 0.01 0.00 0.41 0.00 0.00 41.25 41.99 1m5z s ASN 53 CO 0.00 -0.07 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.82 1m5z s ILE 54 N 0.19 0.70 0.40 0.60 1.01 -1.26 0.39 121.20 123.23 1m5z s ILE 54 Ca -0.01 -0.29 -0.26 0.00 0.00 0.00 0.00 60.65 60.09 1m5z s ILE 54 Cb -0.02 -0.65 -0.09 0.00 0.01 0.00 0.00 42.46 41.71 1m5z s ILE 54 CO -0.00 0.24 1.30 -0.60 0.00 0.00 0.00 174.94 175.87 1m5z s ARG 55 N 0.41 4.01 0.13 2.79 6.06 0.26 -4.92 118.95 127.68 1m5z s ARG 55 Ca -0.06 2.16 -0.33 0.00 -2.50 0.00 0.00 55.73 55.00 1m5z s ARG 55 Cb -0.10 -2.79 -0.12 0.00 0.06 0.00 0.00 34.95 32.00 1m5z s ARG 55 CO 0.01 -0.46 1.73 -2.30 -2.50 0.00 0.00 175.30 171.78 1m5z n PRO 56 N 0.19 2.49 -2.63 5.12 -0.02 -1.26 -2.15 135.00 136.75 1m5z n PRO 56 Ca 0.03 0.90 -0.06 0.00 -2.02 0.00 0.00 63.50 62.35 1m5z n PRO 56 Cb 0.43 -2.74 -0.01 0.00 -0.02 0.00 0.00 33.50 31.17 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 4.67 -0.96 -1.80 3.55 0.00 -1.26 -4.90 120.51 119.81 1m5z n ALA 57 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1m5z n ALA 57 Cb 0.33 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.64 1.39 0.36 0.00 0.00 -0.91 -4.69 105.19 100.70 1m5z n GLY 58 Ca -0.03 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.46 -0.91 1.61 0.11 -1.82 0.56 132.00 131.07 1m5z h PRO 59 Ca 0.00 0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.22 1m5z h PRO 59 Cb 0.00 0.11 -0.06 0.00 0.11 0.00 0.00 31.00 31.15 1m5z h PRO 59 CO 0.00 -0.31 0.59 0.78 -0.21 0.00 0.00 178.00 178.85 1m5z h GLY 60 N -0.48 1.34 1.78 -0.55 0.00 -1.67 0.59 103.07 104.09 1m5z h GLY 60 Ca 0.07 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 46.83 1m5z h GLY 60 CO -0.32 0.27 -0.70 -1.80 0.00 0.00 0.00 176.54 174.00 1m5z h ASP 61 N 1.01 0.25 0.84 0.19 1.82 -1.54 -2.46 116.42 116.52 1m5z h ASP 61 Ca 0.40 -0.16 -0.19 0.00 -0.39 0.00 0.00 57.03 56.69 1m5z h ASP 61 Cb 0.26 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.17 1m5z h ASP 61 CO -0.16 0.87 -0.88 -0.07 -1.61 0.00 0.00 179.24 177.39 1m5z h LEU 62 N 0.15 0.03 0.26 2.28 3.38 0.13 -3.35 115.31 118.20 1m5z h LEU 62 Ca -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1m5z h LEU 62 Cb 1.24 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1m5z h LEU 62 CO 0.11 0.89 -0.13 1.23 0.09 0.00 0.00 178.44 180.63 1m5z h GLY 63 N 2.51 -0.37 0.00 0.83 0.00 0.22 -3.49 103.07 102.77 1m5z h GLY 63 Ca -0.02 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1m5z h GLY 63 CO 0.12 -0.13 0.00 0.61 0.00 0.00 0.00 176.54 177.13 1m5z n GLY 64 N 0.49 1.51 3.28 4.60 0.00 -0.93 -4.77 105.19 109.36 1m5z n GLY 64 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 2.24 0.40 0.99 0.05 -1.18 -5.01 118.68 116.18 1m5z s LEU 65 Ca 0.00 -0.48 0.07 0.00 0.05 0.00 0.00 54.13 53.77 1m5z s LEU 65 Cb 0.00 -1.45 -0.07 0.00 -2.05 0.00 0.00 46.19 42.62 1m5z s LEU 65 CO 0.00 0.20 0.06 -0.54 -0.55 0.00 0.00 176.35 175.51 1m5z s LYS 66 N 0.14 2.04 0.42 1.48 1.02 -1.26 -4.73 119.74 118.85 1m5z s LYS 66 Ca -0.11 -2.00 -0.22 0.00 0.02 0.00 0.00 55.97 53.66 1m5z s LYS 66 Cb -0.16 -1.77 -0.13 0.00 -0.52 0.00 0.00 37.83 35.25 1m5z s LYS 66 CO 0.06 -0.05 0.42 -0.35 -0.92 0.00 0.00 175.35 174.51 1m5z n PRO 67 N -1.05 0.40 0.00 -1.68 -0.04 -1.26 -1.94 135.00 129.43 1m5z n PRO 67 Ca -0.04 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1m5z n PRO 67 Cb 0.66 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.94 0.00 -1.48 0.54 4.01 -1.14 -4.87 117.16 113.27 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 0.40 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 0.05 0.56 -4.58 7.72 9.92 -0.82 -4.41 116.55 124.99 1m5z n ASP 69 Ca 0.00 -1.63 -0.41 0.00 -0.53 0.00 0.00 54.79 52.22 1m5z n ASP 69 Cb 0.00 -1.35 -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 7.94 3.03 -0.32 -1.24 3.00 0.40 -3.13 118.95 128.63 1m5z s ARG 70 Ca 0.83 1.12 -0.28 0.00 -1.00 0.00 0.00 55.73 56.41 1m5z s ARG 70 Cb -0.21 -4.28 -0.04 0.00 0.00 0.00 0.00 34.95 30.42 1m5z s ARG 70 CO 0.19 -2.22 2.10 -0.51 0.00 0.00 0.00 175.30 174.85 1m5z s LEU 71 N 7.87 3.44 -0.05 -0.88 1.02 -1.02 -1.07 118.68 128.00 1m5z s LEU 71 Ca 0.76 1.50 -0.01 0.00 0.02 0.00 0.00 54.13 56.39 1m5z s LEU 71 Cb -0.18 -3.31 -0.00 0.00 0.02 0.00 0.00 46.19 42.72 1m5z s LEU 71 CO 0.29 -2.05 -0.02 -0.07 0.02 0.00 0.00 176.35 174.51 1m5z h LEU 72 N 15.43 0.00 -8.28 1.79 3.38 -0.69 -3.26 115.31 123.68 1m5z h LEU 72 Ca -0.35 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 56.94 1m5z h LEU 72 Cb 1.22 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.64 1m5z h LEU 72 CO 1.03 0.24 -0.86 -1.10 0.09 0.00 0.00 178.44 177.84 1m5z s GLN 73 N -1.32 3.06 -0.37 1.13 -0.21 -1.16 0.50 119.66 121.29 1m5z s GLN 73 Ca -0.02 -0.85 -0.06 0.00 0.02 0.00 0.00 55.36 54.45 1m5z s GLN 73 Cb 0.00 -2.42 0.06 0.00 1.00 0.00 0.00 33.01 31.65 1m5z s GLN 73 CO 0.03 0.06 0.16 0.08 -2.12 0.00 0.00 175.29 173.49 1m5z s VAL 74 N 0.65 3.78 0.00 1.09 1.01 -0.25 -0.81 120.40 125.87 1m5z s VAL 74 Ca -0.11 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.52 1m5z s VAL 74 Cb -0.16 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1m5z s VAL 74 CO 0.02 -0.34 0.00 -3.20 0.00 0.00 0.00 175.10 171.58 1m5z n ASN 75 N 4.80 0.00 0.00 3.32 2.85 0.22 -2.05 115.26 124.39 1m5z n ASN 75 Ca -0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 1m5z n ASN 75 Cb 0.44 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.46 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 -5.01 115.22 108.64 1m5z n HIS 76 Ca 0.00 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.30 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 4.94 -1.06 0.61 1.01 -0.87 -4.96 120.40 120.06 1m5z s VAL 77 Ca 0.00 1.55 -0.23 0.00 0.00 0.00 0.00 61.98 63.29 1m5z s VAL 77 Cb 0.00 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 1m5z s VAL 77 CO 0.00 0.09 1.94 -0.13 0.00 0.00 0.00 175.10 177.01 1m5z s ARG 78 N 1.77 2.50 -0.54 2.72 0.52 -1.26 -1.10 118.95 123.57 1m5z s ARG 78 Ca 0.37 -0.79 -0.02 0.00 -0.52 0.00 0.00 55.73 54.77 1m5z s ARG 78 Cb -0.17 -5.16 0.27 0.00 0.52 0.00 0.00 34.95 30.41 1m5z s ARG 78 CO 0.14 -3.75 2.20 0.25 0.02 0.00 0.00 175.30 174.16 1m5z n THR 79 N 7.85 3.29 -0.01 0.02 -2.24 0.18 -4.48 114.28 118.90 1m5z n THR 79 Ca 0.43 -2.78 -0.18 0.00 -2.27 0.00 0.00 64.05 59.25 1m5z n THR 79 Cb 0.47 -1.33 -0.14 0.00 -2.10 0.00 0.00 70.33 67.23 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 2.23 0.16 -0.76 -0.78 2.43 -0.55 -3.31 114.38 113.78 1m5z h ARG 80 Ca 0.45 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 1m5z h ARG 80 Cb 0.69 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.31 1m5z h ARG 80 CO 1.15 1.13 0.06 -0.25 -1.51 0.00 0.00 179.97 180.54 1m5z n ASP 81 N -4.33 4.02 -4.84 -3.80 8.00 -1.26 -3.96 116.55 110.38 1m5z n ASP 81 Ca -0.14 -2.66 -0.28 0.00 0.71 0.00 0.00 54.79 52.41 1m5z n ASP 81 Cb 0.68 -0.64 0.09 0.00 -0.02 0.00 0.00 41.12 41.24 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 -2.15 2.80 0.26 1.24 0.40 -1.25 -4.78 117.98 114.50 1m5z s PHE 82 Ca 0.36 0.61 0.07 0.00 -0.60 0.00 0.00 56.93 57.37 1m5z s PHE 82 Cb 0.28 -3.46 -0.04 0.00 0.51 0.00 0.00 43.02 40.31 1m5z s PHE 82 CO 0.10 -1.75 0.19 -0.51 0.70 0.00 0.00 175.22 173.95 1m5z s ASP 83 N -4.59 5.46 0.27 1.36 1.11 -1.26 -3.70 116.67 115.31 1m5z s ASP 83 Ca 0.63 -0.29 0.00 0.00 0.18 0.00 0.00 52.55 53.07 1m5z s ASP 83 Cb -0.10 -1.35 0.58 0.00 1.07 0.00 0.00 42.92 43.12 1m5z s ASP 83 CO 0.48 -0.05 1.76 0.00 1.18 0.00 0.00 175.17 178.54 1m5z n LEU 86 N -3.49 0.81 0.11 0.00 4.77 0.16 -4.12 117.00 115.24 1m5z n LEU 86 Ca -0.02 0.25 -0.17 0.00 -0.03 0.00 0.00 56.01 56.04 1m5z n LEU 86 Cb 0.18 0.14 -0.13 0.00 -2.33 0.00 0.00 43.42 41.27 1m5z n LEU 86 CO 0.27 0.48 -0.06 0.58 -1.33 0.00 0.00 177.39 177.33 1m5z h VAL 87 N 0.01 1.45 -0.07 4.08 2.07 0.11 -2.52 116.25 121.38 1m5z h VAL 87 Ca -0.39 -2.94 0.02 0.00 0.82 0.00 0.00 66.70 64.21 1m5z h VAL 87 Cb 2.09 2.92 -0.03 0.00 -1.52 0.00 0.00 31.29 34.75 1m5z h VAL 87 CO 0.06 0.87 -0.08 0.58 0.02 0.00 0.00 177.57 179.02 1m5z h VAL 88 N 0.10 0.78 -0.10 2.57 2.07 -0.71 0.21 116.25 121.18 1m5z h VAL 88 Ca -0.15 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 1m5z h VAL 88 Cb 1.97 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1m5z h VAL 88 CO 0.21 0.00 -0.13 -0.65 0.02 0.00 0.00 177.57 177.02 1m5z h PRO 89 N -0.10 0.26 -0.64 1.57 0.11 -1.72 -2.09 132.00 129.40 1m5z h PRO 89 Ca 0.05 -0.15 0.17 0.00 0.11 0.00 0.00 66.00 66.19 1m5z h PRO 89 Cb 0.18 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.27 1m5z h PRO 89 CO -0.13 0.71 0.45 -0.07 -0.21 0.00 0.00 178.00 178.75 1m5z h LEU 90 N -0.16 0.07 0.12 2.35 3.38 -1.35 0.11 115.31 119.82 1m5z h LEU 90 Ca 0.01 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.74 1m5z h LEU 90 Cb 0.68 -0.01 0.03 0.00 0.09 0.00 0.00 40.66 41.44 1m5z h LEU 90 CO 0.03 0.03 -1.04 0.40 0.09 0.00 0.00 178.44 177.96 1m5z h ILE 91 N 0.07 1.37 0.00 1.22 2.04 -0.84 -3.21 117.51 118.17 1m5z h ILE 91 Ca 0.31 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.73 1m5z h ILE 91 Cb 1.12 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 40.05 1m5z h ILE 91 CO -0.02 0.72 0.00 0.00 0.00 0.00 0.00 178.15 178.85 1m5z n ALA 92 N -2.67 2.23 0.63 1.87 0.00 -0.02 -2.86 120.51 119.70 1m5z n ALA 92 Ca -0.14 -0.12 0.07 0.00 0.00 0.00 0.00 53.44 53.26 1m5z n ALA 92 Cb 0.90 -1.38 0.02 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.23 1.61 0.19 0.00 0.28 0.18 -4.44 120.64 117.22 1m5z n GLU 93 Ca 0.12 -0.92 0.14 0.00 -0.16 0.00 0.00 57.16 56.34 1m5z n GLU 93 Cb 0.17 -1.24 0.65 0.00 1.43 0.00 0.00 31.44 32.45 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 1.95 0.00 0.00 -1.84 0.87 -1.53 -3.48 113.55 109.52 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 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 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 -0.70 0.52 0.02 5.77 0.00 -1.26 -4.17 105.19 105.37 1m5z n GLY 95 Ca -0.00 -1.63 0.10 0.00 0.00 0.00 0.00 46.02 44.48 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 0.33 0.10 -4.04 1.61 5.03 -1.26 -4.16 115.26 112.87 1m5z n ASN 96 Ca 0.00 0.52 -0.08 0.00 0.87 0.00 0.00 54.58 55.89 1m5z n ASN 96 Cb 0.00 -0.54 -0.10 0.00 -1.02 0.00 0.00 39.78 38.12 1m5z n ASN 96 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1m5z s LYS 97 N -3.03 0.55 -0.31 3.52 1.02 -1.26 -0.50 119.74 119.73 1m5z s LYS 97 Ca 0.09 -1.02 -0.02 0.00 0.02 0.00 0.00 55.97 55.03 1m5z s LYS 97 Cb 0.12 0.20 0.11 0.00 -0.52 0.00 0.00 37.83 37.74 1m5z s LYS 97 CO 0.37 -0.11 0.15 -1.17 -0.92 0.00 0.00 175.35 173.67 1m5z s LEU 98 N -2.52 0.99 -0.29 3.17 0.20 0.13 -4.58 118.68 115.78 1m5z s LEU 98 Ca 0.01 -1.61 -0.17 0.00 0.69 0.00 0.00 54.13 53.05 1m5z s LEU 98 Cb 0.03 -0.47 -0.02 0.00 -0.43 0.00 0.00 46.19 45.30 1m5z s LEU 98 CO -0.08 -0.40 0.46 -1.81 -0.29 0.00 0.00 176.35 174.23 1m5z s ASP 99 N 1.71 6.32 0.15 3.68 1.01 -1.26 -1.14 116.67 127.15 1m5z s ASP 99 Ca 0.12 0.24 -0.10 0.00 0.71 0.00 0.00 52.55 53.52 1m5z s ASP 99 Cb -0.18 -2.25 -0.00 0.00 1.01 0.00 0.00 42.92 41.50 1m5z s ASP 99 CO -0.25 -0.31 0.29 -1.48 0.21 0.00 0.00 175.17 173.63 1m5z s LEU 100 N 2.24 0.95 -0.30 1.23 0.05 0.10 0.71 118.68 123.65 1m5z s LEU 100 Ca 0.18 -0.78 -0.01 0.00 0.05 0.00 0.00 54.13 53.58 1m5z s LEU 100 Cb -0.16 1.27 0.06 0.00 -2.05 0.00 0.00 46.19 45.31 1m5z s LEU 100 CO 0.11 -0.88 -0.01 -0.69 -0.55 0.00 0.00 176.35 174.34 1m5z s VAL 101 N -3.93 2.83 0.41 1.48 1.01 0.01 -0.96 120.40 121.24 1m5z s VAL 101 Ca 0.14 -1.51 0.08 0.00 0.00 0.00 0.00 61.98 60.68 1m5z s VAL 101 Cb 0.03 -2.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 1m5z s VAL 101 CO -0.03 -0.15 0.50 0.27 0.00 0.00 0.00 175.10 175.70 1m5z s ILE 102 N 1.20 3.06 -0.04 2.22 -5.25 -0.94 -0.07 121.20 121.39 1m5z s ILE 102 Ca -0.04 -1.09 -0.02 0.00 -0.99 0.00 0.00 60.65 58.51 1m5z s ILE 102 Cb -0.20 -3.05 0.03 0.00 2.95 0.00 0.00 42.46 42.19 1m5z s ILE 102 CO -0.02 -0.02 0.06 -0.55 -1.79 0.00 0.00 174.94 172.61 1m5z s SER 103 N -4.27 0.89 -0.01 4.36 0.15 -0.23 -0.29 113.70 114.30 1m5z s SER 103 Ca 0.52 0.08 0.02 0.00 0.70 0.00 0.00 55.95 57.28 1m5z s SER 103 Cb -0.08 -0.11 -0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1m5z s SER 103 CO 0.31 -0.22 -0.08 -0.60 1.20 0.00 0.00 173.24 173.85 1m5z s ARG 104 N 1.94 0.73 0.50 5.44 3.00 -0.89 -0.46 118.95 129.21 1m5z s ARG 104 Ca 0.02 -0.28 -0.16 0.00 -1.00 0.00 0.00 55.73 54.31 1m5z s ARG 104 Cb -0.12 -0.70 -0.08 0.00 0.00 0.00 0.00 34.95 34.05 1m5z s ARG 104 CO -0.03 0.15 0.95 -0.80 0.00 0.00 0.00 175.30 175.57 1m5z s ASN 105 N -0.06 6.61 0.00 -2.12 0.01 -1.26 0.46 114.94 118.58 1m5z s ASN 105 Ca 0.01 1.50 0.22 0.00 -0.71 0.00 0.00 52.86 53.89 1m5z s ASN 105 Cb -0.05 -2.48 1.31 0.00 0.41 0.00 0.00 41.25 40.44 1m5z s ASN 105 CO -0.00 -0.56 1.68 -0.81 -1.51 0.00 0.00 177.10 175.90