#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 0.16 0.00 1.43 0.11 -2.00 -3.37 132.00 128.33 1m5z h PRO 17 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1m5z h PRO 17 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 1m5z h PRO 17 CO 0.00 0.10 0.00 2.41 -0.21 0.00 0.00 178.00 180.30 1m5z n THR 18 N -4.37 0.00 -1.69 -1.15 -1.04 -1.26 -5.05 114.28 99.72 1m5z n THR 18 Ca 0.20 0.00 -0.50 0.00 -2.04 0.00 0.00 64.05 61.72 1m5z n THR 18 Cb 0.90 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.36 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 -2.57 2.03 -0.92 -2.82 -0.02 -1.26 -4.61 135.00 124.83 1m5z n PRO 19 Ca 0.00 0.74 -0.35 0.00 -2.02 0.00 0.00 63.50 61.87 1m5z n PRO 19 Cb 0.00 -2.57 0.07 0.00 -0.02 0.00 0.00 33.50 30.98 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 5.02 0.00 -4.41 -1.45 0.24 -1.26 -3.34 118.33 113.13 1m5z n VAL 20 Ca 0.23 -0.36 -0.33 0.00 -2.04 0.00 0.00 64.34 61.85 1m5z n VAL 20 Cb 0.27 -0.21 -0.16 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 -2.56 2.96 0.42 7.34 0.41 -0.34 -4.77 118.70 122.16 1m5z s GLU 21 Ca 0.45 -0.83 -0.26 0.00 -0.41 0.00 0.00 54.97 53.93 1m5z s GLU 21 Cb -0.16 -2.46 -0.09 0.00 -1.78 0.00 0.00 34.13 29.63 1m5z s GLU 21 CO 0.76 -0.11 1.41 -0.51 -0.49 0.00 0.00 175.26 176.33 1m5z s LEU 22 N 1.04 4.20 -0.21 1.80 1.43 -1.26 -2.16 118.68 123.52 1m5z s LEU 22 Ca -0.02 2.89 -0.04 0.00 -1.03 0.00 0.00 54.13 55.94 1m5z s LEU 22 Cb -0.14 -3.85 0.09 0.00 0.03 0.00 0.00 46.19 42.32 1m5z s LEU 22 CO -0.07 -1.01 0.20 -1.00 0.23 0.00 0.00 176.35 174.70 1m5z s HIS 23 N -1.19 -0.18 -0.61 0.29 3.76 0.68 -4.96 115.29 113.08 1m5z s HIS 23 Ca 0.57 0.02 -0.27 0.00 -0.15 0.00 0.00 55.06 55.24 1m5z s HIS 23 Cb -0.43 -0.46 0.01 0.00 1.11 0.00 0.00 32.58 32.80 1m5z s HIS 23 CO 0.57 -0.63 1.53 0.21 -0.85 0.00 0.00 174.74 175.56 1m5z s LYS 24 N 2.28 3.07 -0.08 1.40 2.20 -1.26 -2.27 119.74 125.09 1m5z s LYS 24 Ca 0.06 0.37 0.00 0.00 -0.36 0.00 0.00 55.97 56.04 1m5z s LYS 24 Cb -0.16 -4.22 -0.03 0.00 -1.51 0.00 0.00 37.83 31.92 1m5z s LYS 24 CO -0.15 -2.22 -0.07 0.14 -0.36 0.00 0.00 175.35 172.69 1m5z s VAL 25 N 6.91 3.71 -0.24 4.02 -7.23 -0.31 -4.99 120.40 122.26 1m5z s VAL 25 Ca 0.54 -0.47 -0.01 0.00 -1.81 0.00 0.00 61.98 60.22 1m5z s VAL 25 Cb -0.11 -2.53 0.07 0.00 0.56 0.00 0.00 36.38 34.38 1m5z s VAL 25 CO 0.22 0.58 0.04 -0.89 -0.31 0.00 0.00 175.10 174.74 1m5z s THR 26 N -0.63 0.84 0.57 5.32 2.01 -1.25 -0.41 115.64 122.09 1m5z s THR 26 Ca 0.10 -0.99 0.08 0.00 0.31 0.00 0.00 61.69 61.19 1m5z s THR 26 Cb -0.12 -1.40 0.08 0.00 0.01 0.00 0.00 72.50 71.07 1m5z s THR 26 CO 0.02 -0.36 0.79 -0.76 -0.69 0.00 0.00 174.62 173.62 1m5z s LEU 27 N 1.69 3.17 -0.02 4.42 1.43 0.75 -4.85 118.68 125.27 1m5z s LEU 27 Ca 0.02 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.42 1m5z s LEU 27 Cb -0.17 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.21 1m5z s LEU 27 CO -0.14 -1.33 -0.04 -0.31 0.23 0.00 0.00 176.35 174.77 1m5z s TYR 28 N -2.69 0.45 -0.05 0.29 2.02 -1.26 0.11 117.35 116.23 1m5z s TYR 28 Ca 0.61 -0.08 -0.14 0.00 -0.37 0.00 0.00 57.07 57.10 1m5z s TYR 28 Cb -0.06 -0.37 -0.05 0.00 -0.40 0.00 0.00 41.96 41.07 1m5z s TYR 28 CO 0.39 -0.07 0.35 0.21 -1.57 0.00 0.00 175.55 174.87 1m5z s LYS 29 N 0.32 3.91 -0.16 -0.62 2.20 -0.67 -4.75 119.74 119.97 1m5z s LYS 29 Ca -0.03 0.29 -0.05 0.00 -0.36 0.00 0.00 55.97 55.81 1m5z s LYS 29 Cb -0.07 -3.25 -0.03 0.00 -1.51 0.00 0.00 37.83 32.96 1m5z s LYS 29 CO -0.00 0.62 0.01 -0.51 -0.36 0.00 0.00 175.35 175.10 1m5z s ASP 30 N -0.78 5.20 -0.96 1.43 1.11 -1.26 -4.79 116.67 116.62 1m5z s ASP 30 Ca 0.22 -0.01 -0.26 0.00 0.18 0.00 0.00 52.55 52.67 1m5z s ASP 30 Cb -0.15 -1.83 -0.19 0.00 1.07 0.00 0.00 42.92 41.82 1m5z s ASP 30 CO 0.11 0.20 2.24 -0.44 1.18 0.00 0.00 175.17 178.45 1m5z s SER 31 N 0.22 3.64 0.00 0.27 0.01 -1.26 -1.16 113.70 115.43 1m5z s SER 31 Ca 0.01 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.72 1m5z s SER 31 Cb -0.13 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1m5z s SER 31 CO 0.02 -4.37 0.00 0.61 0.41 0.00 0.00 173.24 169.90 1m5z n GLY 32 N 6.44 0.44 3.89 3.44 0.00 -1.26 -5.15 105.19 112.99 1m5z n GLY 32 Ca 0.44 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 1m5z n GLY 32 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1m5z s MET 33 N 0.00 2.30 -0.00 1.61 0.00 -0.31 -5.01 119.30 117.90 1m5z s MET 33 Ca 0.00 0.24 0.13 0.00 0.00 0.00 0.00 55.69 56.06 1m5z s MET 33 Cb 0.00 -1.98 -0.15 0.00 0.00 0.00 0.00 34.83 32.70 1m5z s MET 33 CO 0.00 -1.38 0.55 -1.91 0.00 0.00 0.00 175.02 172.28 1m5z n GLU 34 N -3.20 2.47 -1.15 4.11 4.07 -1.26 -4.97 120.64 120.72 1m5z n GLU 34 Ca 0.08 -0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 1m5z n GLU 34 Cb 0.60 -1.14 0.00 0.00 -0.06 0.00 0.00 31.44 30.83 1m5z n GLU 34 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1m5z n ASP 35 N -1.35 0.00 -1.45 4.31 8.00 -1.26 -5.04 116.55 119.76 1m5z n ASP 35 Ca 0.02 -0.93 0.08 0.00 0.71 0.00 0.00 54.79 54.67 1m5z n ASP 35 Cb 0.22 0.00 0.34 0.00 -0.02 0.00 0.00 41.12 41.65 1m5z n ASP 35 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1m5z n PHE 36 N 0.00 1.49 -0.53 1.24 3.72 -1.26 -4.81 117.46 117.31 1m5z n PHE 36 Ca 0.00 -0.72 0.00 0.00 -0.05 0.00 0.00 57.45 56.68 1m5z n PHE 36 Cb 0.00 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.19 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 0.45 0.70 3.65 1.37 0.00 -1.26 -3.32 105.19 106.78 1m5z n GLY 37 Ca 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.35 0.25 1.61 -0.71 -1.26 0.85 117.98 116.37 1m5z s PHE 38 Ca 0.00 0.71 0.06 0.00 -1.04 0.00 0.00 56.93 56.66 1m5z s PHE 38 Cb 0.00 0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 42.01 1m5z s PHE 38 CO 0.00 -0.17 0.29 -1.12 -1.34 0.00 0.00 175.22 172.87 1m5z s SER 39 N 1.15 5.92 0.25 1.98 0.01 0.11 -4.94 113.70 118.18 1m5z s SER 39 Ca -0.08 -0.10 0.10 0.00 1.31 0.00 0.00 55.95 57.18 1m5z s SER 39 Cb -0.03 -1.60 -0.05 0.00 0.21 0.00 0.00 66.02 64.55 1m5z s SER 39 CO -0.13 -0.08 -0.09 0.68 0.41 0.00 0.00 173.24 174.04 1m5z s VAL 40 N -2.07 3.06 0.34 3.43 -7.23 -1.26 0.96 120.40 117.64 1m5z s VAL 40 Ca 0.34 -2.03 0.07 0.00 -1.81 0.00 0.00 61.98 58.55 1m5z s VAL 40 Cb -0.08 -2.60 -0.07 0.00 0.56 0.00 0.00 36.38 34.19 1m5z s VAL 40 CO 0.27 -0.33 -0.02 0.00 -0.31 0.00 0.00 175.10 174.71 1m5z s ALA 41 N -2.25 2.69 0.58 1.32 0.00 0.28 -4.62 121.76 119.75 1m5z s ALA 41 Ca 0.29 -2.08 -0.17 0.00 0.00 0.00 0.00 51.96 50.00 1m5z s ALA 41 Cb -0.06 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1m5z s ALA 41 CO 0.17 -0.10 1.07 0.16 0.00 0.00 0.00 175.76 177.06 1m5z s ASP 42 N -3.56 5.78 -0.52 0.00 1.47 -1.26 -2.63 116.67 115.95 1m5z s ASP 42 Ca 0.33 1.91 -0.06 0.00 1.18 0.00 0.00 52.55 55.91 1m5z s ASP 42 Cb 0.06 -2.55 0.14 0.00 -0.34 0.00 0.00 42.92 40.23 1m5z s ASP 42 CO 0.15 -1.17 0.37 -0.83 0.68 0.00 0.00 175.17 174.37 1m5z s GLY 43 N -2.47 2.19 0.08 2.12 0.00 0.36 -4.83 107.32 104.77 1m5z s GLY 43 Ca 0.66 -2.78 0.22 0.00 0.00 0.00 0.00 44.72 42.82 1m5z s GLY 43 CO 0.33 1.10 0.89 -0.10 0.00 0.00 0.00 173.10 175.32 1m5z n LEU 44 N 4.40 0.54 0.04 0.66 -0.00 -1.26 -1.92 117.00 119.45 1m5z n LEU 44 Ca -0.01 0.11 -0.06 0.00 -0.00 0.00 0.00 56.01 56.06 1m5z n LEU 44 Cb 0.41 -0.06 -0.11 0.00 -0.00 0.00 0.00 43.42 43.66 1m5z n LEU 44 CO 0.37 -0.05 -0.12 0.17 -0.00 0.00 0.00 177.39 177.76 1m5z h LEU 45 N 0.00 0.00 -5.04 -1.96 -0.00 -1.97 -3.41 115.31 102.94 1m5z h LEU 45 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 57.62 1m5z h LEU 45 Cb 0.90 0.00 -0.20 0.00 -0.00 0.00 0.00 40.66 41.36 1m5z h LEU 45 CO 0.00 0.89 -0.54 -1.84 -0.00 0.00 0.00 178.44 176.95 1m5z n GLU 46 N -3.16 1.16 -0.42 0.17 0.28 -1.26 -5.09 120.64 112.32 1m5z n GLU 46 Ca -0.07 -2.13 0.00 0.00 -0.16 0.00 0.00 57.16 54.80 1m5z n GLU 46 Cb 0.94 -0.44 0.00 0.00 1.43 0.00 0.00 31.44 33.37 1m5z n GLU 46 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1m5z n LYS 47 N -0.34 -0.08 -3.13 3.44 -0.00 -0.81 -4.91 118.16 112.33 1m5z n LYS 47 Ca 0.01 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 1m5z n LYS 47 Cb 0.82 -0.07 0.00 0.00 -0.00 0.00 0.00 35.03 35.78 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 0.93 -1.27 2.94 2.58 0.00 -1.16 -4.60 105.19 104.61 1m5z n GLY 48 Ca 0.00 -0.87 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.91 0.68 0.06 1.61 1.01 -1.24 0.13 120.40 119.74 1m5z s VAL 49 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1m5z s VAL 49 Cb 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1m5z s VAL 49 CO 0.00 0.24 -0.04 -0.31 0.00 0.00 0.00 175.10 174.99 1m5z s TYR 50 N 0.66 0.58 -0.16 5.22 2.02 -1.08 -2.08 117.35 122.50 1m5z s TYR 50 Ca -0.10 -0.87 -0.29 0.00 -0.37 0.00 0.00 57.07 55.44 1m5z s TYR 50 Cb -0.13 -0.38 -0.05 0.00 -0.40 0.00 0.00 41.96 41.00 1m5z s TYR 50 CO 0.01 -0.26 1.84 0.08 -1.57 0.00 0.00 175.55 175.65 1m5z s VAL 51 N -3.13 3.37 -0.09 0.71 1.01 -0.92 0.10 120.40 121.45 1m5z s VAL 51 Ca 0.02 0.42 0.15 0.00 0.00 0.00 0.00 61.98 62.57 1m5z s VAL 51 Cb 0.02 -3.38 -0.21 0.00 0.00 0.00 0.00 36.38 32.81 1m5z s VAL 51 CO -0.06 -0.16 0.61 1.17 0.00 0.00 0.00 175.10 176.66 1m5z n LYS 52 N 7.90 0.64 -3.97 2.72 4.81 0.27 -0.16 118.16 130.38 1m5z n LYS 52 Ca 0.22 0.21 -0.09 0.00 -0.87 0.00 0.00 58.31 57.78 1m5z n LYS 52 Cb 0.44 -1.74 -0.09 0.00 0.02 0.00 0.00 35.03 33.65 1m5z n LYS 52 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1m5z s ASN 53 N -5.84 0.26 -0.18 3.14 0.01 -0.93 -4.83 114.94 106.57 1m5z s ASN 53 Ca -0.05 -0.67 -0.04 0.00 -0.71 0.00 0.00 52.86 51.38 1m5z s ASN 53 Cb 0.08 0.22 0.06 0.00 0.41 0.00 0.00 41.25 42.03 1m5z s ASN 53 CO 0.82 -0.54 0.08 -0.63 -1.51 0.00 0.00 177.10 175.32 1m5z s ILE 54 N -3.03 0.08 0.01 0.60 -1.09 -1.26 0.09 121.20 116.59 1m5z s ILE 54 Ca -0.01 -0.31 -0.30 0.00 -2.23 0.00 0.00 60.65 57.80 1m5z s ILE 54 Cb 0.01 -0.72 -0.07 0.00 -1.58 0.00 0.00 42.46 40.10 1m5z s ILE 54 CO -0.07 -0.29 1.71 -0.60 -1.23 0.00 0.00 174.94 174.46 1m5z s ARG 55 N 2.06 4.18 1.05 2.79 3.52 0.25 -4.89 118.95 127.91 1m5z s ARG 55 Ca 0.02 2.32 -0.15 0.00 -0.13 0.00 0.00 55.73 57.79 1m5z s ARG 55 Cb -0.16 -3.88 0.11 0.00 -1.56 0.00 0.00 34.95 29.45 1m5z s ARG 55 CO -0.11 -0.83 0.39 -2.30 -0.81 0.00 0.00 175.30 171.64 1m5z n PRO 56 N 6.67 -1.14 -3.24 5.12 -0.02 -1.26 -4.01 135.00 137.11 1m5z n PRO 56 Ca 0.17 -0.30 -0.26 0.00 -2.02 0.00 0.00 63.50 61.09 1m5z n PRO 56 Cb 0.42 -1.88 0.02 0.00 -0.02 0.00 0.00 33.50 32.03 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 -4.18 -2.21 -3.10 3.55 0.00 -1.26 -4.88 120.51 108.43 1m5z n ALA 57 Ca 0.04 0.04 0.01 0.00 0.00 0.00 0.00 53.44 53.53 1m5z n ALA 57 Cb 0.57 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.73 1.05 0.36 0.00 0.00 -1.26 -4.97 105.19 99.64 1m5z n GLY 58 Ca -0.16 -0.92 0.18 0.00 0.00 0.00 0.00 46.02 45.12 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 0.04 1.61 0.11 -1.86 0.35 132.00 132.25 1m5z h PRO 59 Ca -0.03 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.91 1m5z h PRO 59 Cb 0.13 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.26 1m5z h PRO 59 CO 0.04 0.00 -0.71 0.78 -0.21 0.00 0.00 178.00 177.90 1m5z h GLY 60 N 0.00 0.47 1.76 -0.55 0.00 -1.71 -1.31 103.07 101.72 1m5z h GLY 60 Ca 0.20 -0.89 -0.17 0.00 0.00 0.00 0.00 47.33 46.47 1m5z h GLY 60 CO -0.00 0.78 -0.73 -1.80 0.00 0.00 0.00 176.54 174.79 1m5z h ASP 61 N -0.11 0.28 0.53 0.19 1.82 -1.56 -1.03 116.42 116.54 1m5z h ASP 61 Ca -0.10 -0.19 -0.19 0.00 -0.39 0.00 0.00 57.03 56.17 1m5z h ASP 61 Cb 1.44 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 41.35 1m5z h ASP 61 CO 0.14 0.91 -0.83 -0.07 -1.61 0.00 0.00 179.24 177.78 1m5z h LEU 62 N 0.15 0.27 0.07 2.28 3.38 -0.41 -3.32 115.31 117.73 1m5z h LEU 62 Ca -0.02 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 1m5z h LEU 62 Cb 1.29 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.97 1m5z h LEU 62 CO 0.11 0.98 -0.45 1.23 0.09 0.00 0.00 178.44 180.41 1m5z h GLY 63 N 1.75 0.21 0.00 0.83 0.00 -1.19 -3.49 103.07 101.18 1m5z h GLY 63 Ca -0.04 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1m5z h GLY 63 CO 0.13 0.44 0.00 0.61 0.00 0.00 0.00 176.54 177.71 1m5z n GLY 64 N 1.56 1.89 3.77 4.60 0.00 -0.44 -5.05 105.19 111.51 1m5z n GLY 64 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 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 4.40 0.21 0.99 1.43 -0.90 -5.06 118.68 119.76 1m5z s LEU 65 Ca 0.00 2.24 0.09 0.00 -1.03 0.00 0.00 54.13 55.44 1m5z s LEU 65 Cb 0.00 -3.81 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 1m5z s LEU 65 CO 0.00 -0.31 -0.09 -0.54 0.23 0.00 0.00 176.35 175.64 1m5z s LYS 66 N -1.82 2.07 -0.53 1.70 -0.14 -1.26 -4.85 119.74 114.92 1m5z s LYS 66 Ca 0.49 -1.35 -0.18 0.00 -1.36 0.00 0.00 55.97 53.58 1m5z s LYS 66 Cb -0.30 -2.12 -0.17 0.00 -1.68 0.00 0.00 37.83 33.56 1m5z s LYS 66 CO 0.38 0.41 1.77 -0.35 -0.76 0.00 0.00 175.35 176.80 1m5z n PRO 67 N -0.23 1.09 0.00 -1.68 -0.04 -1.26 -1.93 135.00 130.95 1m5z n PRO 67 Ca -0.09 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 61.97 1m5z n PRO 67 Cb 0.57 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 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 6.83 0.00 -1.51 0.54 4.01 0.78 -4.76 117.16 123.05 1m5z n TYR 68 Ca 0.42 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.86 1m5z n TYR 68 Cb 0.30 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.17 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 -0.02 -0.07 -4.56 7.72 9.92 -0.81 -4.22 116.55 124.52 1m5z n ASP 69 Ca 0.00 -0.35 -0.40 0.00 -0.53 0.00 0.00 54.79 53.51 1m5z n ASP 69 Cb 0.00 -0.90 -0.03 0.00 -0.64 0.00 0.00 41.12 39.55 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 8.12 3.00 -0.40 -1.24 3.52 -0.26 -2.17 118.95 129.50 1m5z s ARG 70 Ca 1.26 0.28 -0.31 0.00 -0.13 0.00 0.00 55.73 56.83 1m5z s ARG 70 Cb -0.87 -4.25 -0.10 0.00 -1.56 0.00 0.00 34.95 28.17 1m5z s ARG 70 CO 0.46 -2.33 2.29 1.28 -0.81 0.00 0.00 175.30 176.19 1m5z n LEU 71 N 10.77 2.27 -0.07 -0.88 4.32 -0.89 -1.63 117.00 130.89 1m5z n LEU 71 Ca 0.12 0.15 -0.08 0.00 -0.02 0.00 0.00 56.01 56.17 1m5z n LEU 71 Cb 0.50 -1.37 -0.05 0.00 -1.62 0.00 0.00 43.42 40.88 1m5z n LEU 71 CO 0.71 -0.90 -0.14 -0.07 -1.22 0.00 0.00 177.39 175.77 1m5z h LEU 72 N 14.52 0.00 -7.39 2.23 3.38 -1.48 -3.25 115.31 123.32 1m5z h LEU 72 Ca -0.28 -0.29 -0.44 0.00 0.09 0.00 0.00 57.88 56.96 1m5z h LEU 72 Cb 1.29 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.65 1m5z h LEU 72 CO 1.07 0.87 -0.76 0.00 0.09 0.00 0.00 178.44 179.71 1m5z s GLN 73 N -2.05 0.47 -0.28 1.13 -2.07 -1.01 0.11 119.66 115.96 1m5z s GLN 73 Ca -0.14 0.05 -0.10 0.00 -1.82 0.00 0.00 55.36 53.35 1m5z s GLN 73 Cb 0.01 -1.16 -0.03 0.00 -1.09 0.00 0.00 33.01 30.74 1m5z s GLN 73 CO 0.31 -0.39 0.14 0.08 -1.32 0.00 0.00 175.29 174.12 1m5z s VAL 74 N 2.00 4.83 0.00 3.63 1.01 -0.52 -0.94 120.40 130.41 1m5z s VAL 74 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1m5z s VAL 74 Cb -0.13 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1m5z s VAL 74 CO -0.06 0.24 0.00 -3.20 0.00 0.00 0.00 175.10 172.08 1m5z n ASN 75 N 5.00 0.00 0.00 3.32 2.85 0.89 -1.90 115.26 125.42 1m5z n ASN 75 Ca -0.15 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.32 1m5z n ASN 75 Cb 0.51 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.53 1m5z n ASN 75 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 1m5z n HIS 76 N 0.00 0.00 -2.94 1.20 -0.00 -1.26 -5.00 115.22 107.23 1m5z n HIS 76 Ca 0.00 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.77 1m5z n HIS 76 Cb 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 29.83 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 0.00 4.96 -0.80 3.57 1.01 -0.80 -4.98 120.40 123.37 1m5z s VAL 77 Ca 0.00 1.60 -0.25 0.00 0.00 0.00 0.00 61.98 63.33 1m5z s VAL 77 Cb 0.00 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1m5z s VAL 77 CO 0.00 0.15 1.92 -0.13 0.00 0.00 0.00 175.10 177.04 1m5z s ARG 78 N 1.39 2.57 -0.43 2.72 3.00 -1.26 -1.43 118.95 125.51 1m5z s ARG 78 Ca 0.40 0.04 0.01 0.00 0.00 0.00 0.00 55.73 56.18 1m5z s ARG 78 Cb -0.18 -4.82 0.45 0.00 0.00 0.00 0.00 34.95 30.41 1m5z s ARG 78 CO 0.17 -3.15 1.86 0.25 0.00 0.00 0.00 175.30 174.43 1m5z n THR 79 N 7.64 2.98 0.10 0.02 -2.24 0.30 -4.53 114.28 118.56 1m5z n THR 79 Ca 0.33 -1.91 -0.13 0.00 -2.27 0.00 0.00 64.05 60.07 1m5z n THR 79 Cb 0.49 -0.87 -0.08 0.00 -2.10 0.00 0.00 70.33 67.77 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 1.23 -0.26 -0.86 -0.78 3.08 -0.57 -3.14 114.38 113.08 1m5z h ARG 80 Ca 0.49 0.02 -0.19 0.00 0.07 0.00 0.00 59.98 60.38 1m5z h ARG 80 Cb 1.76 0.06 -0.11 0.00 0.08 0.00 0.00 29.97 31.76 1m5z h ARG 80 CO 1.04 0.09 0.24 -0.40 -1.07 0.00 0.00 179.97 179.87 1m5z n ASP 81 N -5.04 3.93 -4.51 7.04 5.68 -1.26 -3.92 116.55 118.47 1m5z n ASP 81 Ca -0.09 -2.90 -0.29 0.00 -0.50 0.00 0.00 54.79 51.02 1m5z n ASP 81 Cb 0.25 -0.69 0.14 0.00 -1.14 0.00 0.00 41.12 39.68 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 -2.28 2.18 0.28 2.11 0.40 -1.19 -4.78 117.98 114.71 1m5z s PHE 82 Ca 0.39 0.43 0.09 0.00 -0.60 0.00 0.00 56.93 57.25 1m5z s PHE 82 Cb 0.32 -3.74 -0.04 0.00 0.51 0.00 0.00 43.02 40.06 1m5z s PHE 82 CO 0.09 -2.16 0.01 -0.51 0.70 0.00 0.00 175.22 173.35 1m5z s ASP 83 N -4.74 4.50 0.26 1.36 1.01 -1.26 -3.64 116.67 114.16 1m5z s ASP 83 Ca 0.68 -0.70 -0.01 0.00 0.71 0.00 0.00 52.55 53.22 1m5z s ASP 83 Cb -0.07 -0.79 0.53 0.00 1.01 0.00 0.00 42.92 43.60 1m5z s ASP 83 CO 0.50 -0.06 1.75 0.00 0.21 0.00 0.00 175.17 177.58 1m5z n LEU 86 N -3.01 1.01 0.08 0.00 4.32 0.18 -4.13 117.00 115.46 1m5z n LEU 86 Ca -0.02 0.10 -0.15 0.00 -0.02 0.00 0.00 56.01 55.92 1m5z n LEU 86 Cb 0.15 0.01 -0.09 0.00 -1.62 0.00 0.00 43.42 41.87 1m5z n LEU 86 CO 0.22 0.59 0.07 0.58 -1.22 0.00 0.00 177.39 177.63 1m5z h VAL 87 N 0.01 1.42 0.09 4.08 2.07 0.08 -2.55 116.25 121.44 1m5z h VAL 87 Ca -0.48 -2.65 0.01 0.00 0.82 0.00 0.00 66.70 64.40 1m5z h VAL 87 Cb 2.11 2.63 -0.02 0.00 -1.52 0.00 0.00 31.29 34.49 1m5z h VAL 87 CO 0.03 0.79 -0.13 0.58 0.02 0.00 0.00 177.57 178.85 1m5z h VAL 88 N 0.18 0.69 -0.26 2.57 2.07 -0.71 -1.12 116.25 119.68 1m5z h VAL 88 Ca -0.11 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 1m5z h VAL 88 Cb 1.75 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1m5z h VAL 88 CO 0.19 0.00 -0.03 1.55 0.02 0.00 0.00 177.57 179.29 1m5z h PRO 89 N -0.27 0.49 -0.52 1.57 0.13 -1.72 -2.19 132.00 129.49 1m5z h PRO 89 Ca 0.02 -0.17 0.15 0.00 -0.87 0.00 0.00 66.00 65.12 1m5z h PRO 89 Cb 0.28 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.35 1m5z h PRO 89 CO -0.07 0.68 0.38 -0.07 -0.23 0.00 0.00 178.00 178.70 1m5z h LEU 90 N 0.25 0.00 0.03 1.56 3.38 -1.34 0.16 115.31 119.35 1m5z h LEU 90 Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1m5z h LEU 90 Cb 0.48 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.24 1m5z h LEU 90 CO 0.02 0.00 -0.24 0.40 0.09 0.00 0.00 178.44 178.72 1m5z h ILE 91 N 0.00 1.65 0.00 1.22 2.04 -0.93 -2.90 117.51 118.59 1m5z h ILE 91 Ca 0.25 -2.20 0.00 0.00 1.00 0.00 0.00 64.86 63.90 1m5z h ILE 91 Cb 1.01 3.10 0.00 0.00 -0.74 0.00 0.00 36.82 40.19 1m5z h ILE 91 CO -0.00 0.59 0.00 0.00 0.00 0.00 0.00 178.15 178.74 1m5z n ALA 92 N -2.59 2.19 0.41 1.87 0.00 -0.63 -2.68 120.51 119.09 1m5z n ALA 92 Ca -0.11 -0.11 0.05 0.00 0.00 0.00 0.00 53.44 53.27 1m5z n ALA 92 Cb 0.54 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.20 1.95 0.19 0.00 -0.00 0.45 -4.51 120.64 117.52 1m5z n GLU 93 Ca 0.12 -0.63 0.14 0.00 -0.00 0.00 0.00 57.16 56.79 1m5z n GLU 93 Cb 0.14 -1.07 0.66 0.00 -0.00 0.00 0.00 31.44 31.17 1m5z n GLU 93 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1m5z h SER 94 N 1.13 0.00 0.00 -1.84 0.87 -1.29 -3.48 113.55 108.93 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 0.33 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 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 -0.65 -0.83 0.00 5.77 0.00 -1.26 -4.28 105.19 103.94 1m5z n GLY 95 Ca -0.00 -1.88 0.10 0.00 0.00 0.00 0.00 46.02 44.23 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 0.02 0.00 -3.73 1.61 0.23 -1.26 -4.26 115.26 107.87 1m5z n ASN 96 Ca 0.00 0.41 -0.19 0.00 -0.53 0.00 0.00 54.58 54.27 1m5z n ASN 96 Cb 0.00 -0.46 -0.17 0.00 -2.08 0.00 0.00 39.78 37.07 1m5z n ASN 96 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1m5z s LYS 97 N -2.92 0.11 -0.53 -3.83 1.02 -1.26 -1.68 119.74 110.64 1m5z s LYS 97 Ca 0.11 0.25 -0.08 0.00 0.02 0.00 0.00 55.97 56.27 1m5z s LYS 97 Cb 0.13 -0.54 0.14 0.00 -0.52 0.00 0.00 37.83 37.04 1m5z s LYS 97 CO 0.35 -0.26 0.40 -1.17 -0.92 0.00 0.00 175.35 173.74 1m5z s LEU 98 N 1.75 5.72 -0.30 3.17 0.20 0.12 -4.82 118.68 124.52 1m5z s LEU 98 Ca 0.00 -2.16 -0.13 0.00 0.69 0.00 0.00 54.13 52.53 1m5z s LEU 98 Cb -0.12 -2.00 -0.03 0.00 -0.43 0.00 0.00 46.19 43.60 1m5z s LEU 98 CO -0.03 -0.62 0.27 -0.62 -0.29 0.00 0.00 176.35 175.05 1m5z s ASP 99 N 2.26 6.10 0.00 3.68 -1.08 -1.26 -0.18 116.67 126.19 1m5z s ASP 99 Ca 0.09 -0.07 -0.12 0.00 -0.52 0.00 0.00 52.55 51.93 1m5z s ASP 99 Cb -0.23 -2.16 0.01 0.00 -1.46 0.00 0.00 42.92 39.08 1m5z s ASP 99 CO -0.02 -0.17 0.24 -1.48 0.52 0.00 0.00 175.17 174.26 1m5z s LEU 100 N 1.86 1.13 -0.38 -1.34 0.05 0.46 -0.08 118.68 120.38 1m5z s LEU 100 Ca 0.09 -0.07 -0.10 0.00 0.05 0.00 0.00 54.13 54.10 1m5z s LEU 100 Cb -0.16 1.05 0.04 0.00 -2.05 0.00 0.00 46.19 45.07 1m5z s LEU 100 CO 0.11 -0.45 0.21 -0.69 -0.55 0.00 0.00 176.35 174.98 1m5z s VAL 101 N -1.56 4.42 0.40 1.48 1.01 -0.12 -1.17 120.40 124.87 1m5z s VAL 101 Ca -0.13 -1.02 0.08 0.00 0.00 0.00 0.00 61.98 60.91 1m5z s VAL 101 Cb -0.05 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 1m5z s VAL 101 CO 0.02 -0.30 0.43 0.27 0.00 0.00 0.00 175.10 175.52 1m5z s ILE 102 N 1.51 2.96 -0.05 2.22 -5.25 -0.96 -1.48 121.20 120.15 1m5z s ILE 102 Ca 0.02 -1.23 -0.01 0.00 -0.99 0.00 0.00 60.65 58.44 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 0.05 -0.03 0.02 -0.44 -1.79 0.00 0.00 174.94 172.75 1m5z s SER 103 N -4.18 1.00 -0.04 4.36 0.01 -0.65 -0.23 113.70 113.97 1m5z s SER 103 Ca 0.49 -0.01 -0.00 0.00 1.31 0.00 0.00 55.95 57.74 1m5z s SER 103 Cb -0.06 -0.27 0.03 0.00 0.21 0.00 0.00 66.02 65.93 1m5z s SER 103 CO 0.29 -0.17 -0.00 0.00 0.41 0.00 0.00 173.24 173.77 1m5z s ARG 104 N 1.65 0.43 -0.34 12.44 1.04 -0.92 -1.11 118.95 132.14 1m5z s ARG 104 Ca -0.01 0.07 -0.29 0.00 -1.04 0.00 0.00 55.73 54.47 1m5z s ARG 104 Cb -0.13 -0.65 0.00 0.00 -2.04 0.00 0.00 34.95 32.14 1m5z s ARG 104 CO -0.03 -0.18 1.36 0.54 -0.04 0.00 0.00 175.30 176.95 1m5z s ASN 105 N 1.30 6.52 0.00 -2.89 4.22 -1.26 -1.20 114.94 121.63 1m5z s ASN 105 Ca -0.06 1.06 0.00 0.00 -2.14 0.00 0.00 52.86 51.73 1m5z s ASN 105 Cb -0.13 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 39.86 1m5z s ASN 105 CO -0.02 -1.23 0.39 -2.65 -2.04 0.00 0.00 177.10 171.54