#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 0.11 0.13 1.43 -0.02 -1.26 -3.81 135.00 131.58 1m5z n PRO 17 Ca 0.00 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1m5z n PRO 17 Cb 0.00 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1m5z n PRO 17 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1m5z n THR 18 N -2.05 0.00 -1.52 3.45 -1.04 -1.26 -5.07 114.28 106.79 1m5z n THR 18 Ca -0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 1m5z n THR 18 Cb 0.07 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.45 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 -3.02 0.32 -0.72 -2.82 -0.02 -1.26 -4.42 135.00 123.06 1m5z n PRO 19 Ca 0.00 -0.15 -0.33 0.00 -2.02 0.00 0.00 63.50 61.01 1m5z n PRO 19 Cb 0.00 -2.17 0.15 0.00 -0.02 0.00 0.00 33.50 31.46 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 7.30 0.00 -3.78 -1.45 0.24 -1.26 -3.98 118.33 115.40 1m5z n VAL 20 Ca 0.57 -0.24 -0.20 0.00 -2.04 0.00 0.00 64.34 62.43 1m5z n VAL 20 Cb 0.24 -0.50 -0.17 0.00 -1.47 0.00 0.00 33.84 31.94 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 -3.20 0.28 0.34 7.34 2.02 0.22 -4.77 118.70 120.93 1m5z s GLU 21 Ca 0.52 0.19 -0.29 0.00 0.02 0.00 0.00 54.97 55.41 1m5z s GLU 21 Cb -0.07 -0.67 -0.11 0.00 0.10 0.00 0.00 34.13 33.37 1m5z s GLU 21 CO 0.65 -0.26 1.56 -0.51 0.02 0.00 0.00 175.26 176.71 1m5z s LEU 22 N 1.77 4.33 -0.16 1.80 1.43 -1.26 -2.10 118.68 124.49 1m5z s LEU 22 Ca 0.01 3.03 -0.06 0.00 -1.03 0.00 0.00 54.13 56.08 1m5z s LEU 22 Cb -0.13 -3.65 0.07 0.00 0.03 0.00 0.00 46.19 42.51 1m5z s LEU 22 CO -0.03 -0.92 0.34 -2.28 0.23 0.00 0.00 176.35 173.68 1m5z s HIS 23 N -0.55 -0.57 0.23 0.29 5.65 0.15 -4.96 115.29 115.53 1m5z s HIS 23 Ca 0.58 1.20 -0.30 0.00 0.25 0.00 0.00 55.06 56.79 1m5z s HIS 23 Cb -0.48 0.13 -0.09 0.00 -1.18 0.00 0.00 32.58 30.96 1m5z s HIS 23 CO 0.56 -0.39 1.32 0.21 -0.65 0.00 0.00 174.74 175.79 1m5z s LYS 24 N 2.27 4.38 0.01 2.88 2.47 -1.26 -2.19 119.74 128.30 1m5z s LYS 24 Ca -0.02 2.10 0.01 0.00 -1.56 0.00 0.00 55.97 56.50 1m5z s LYS 24 Cb -0.11 -3.17 -0.01 0.00 -1.46 0.00 0.00 37.83 33.08 1m5z s LYS 24 CO -0.11 -0.25 -0.04 0.08 0.16 0.00 0.00 175.35 175.19 1m5z s VAL 25 N -0.12 0.31 0.00 4.02 1.01 0.10 -4.96 120.40 120.76 1m5z s VAL 25 Ca 0.56 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1m5z s VAL 25 Cb -0.37 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 1m5z s VAL 25 CO 0.41 -0.08 -0.07 -0.89 0.00 0.00 0.00 175.10 174.47 1m5z s THR 26 N -0.48 0.58 0.34 3.92 2.01 -1.25 -0.20 115.64 120.55 1m5z s THR 26 Ca -0.03 -0.42 0.07 0.00 0.31 0.00 0.00 61.69 61.62 1m5z s THR 26 Cb -0.04 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 1m5z s THR 26 CO -0.00 0.09 0.26 0.18 -0.69 0.00 0.00 174.62 174.45 1m5z n LEU 27 N 2.69 0.00 -3.75 4.42 4.77 -0.40 -4.36 117.00 120.38 1m5z n LEU 27 Ca -0.14 -3.13 -0.18 0.00 -0.03 0.00 0.00 56.01 52.52 1m5z n LEU 27 Cb 0.57 1.55 -0.17 0.00 -2.33 0.00 0.00 43.42 43.04 1m5z n LEU 27 CO 0.25 -0.51 -0.36 -0.31 -1.33 0.00 0.00 177.39 175.13 1m5z s TYR 28 N -3.30 0.18 0.43 -1.77 1.51 -1.26 -1.31 117.35 111.83 1m5z s TYR 28 Ca 0.36 0.11 0.02 0.00 -1.01 0.00 0.00 57.07 56.55 1m5z s TYR 28 Cb 0.02 -0.43 -0.00 0.00 -0.11 0.00 0.00 41.96 41.44 1m5z s TYR 28 CO 0.26 -0.16 0.63 0.15 -1.11 0.00 0.00 175.55 175.31 1m5z s LYS 29 N 1.54 3.05 -0.02 -0.62 1.02 0.15 -4.90 119.74 119.97 1m5z s LYS 29 Ca -0.03 -0.63 0.06 0.00 0.02 0.00 0.00 55.97 55.39 1m5z s LYS 29 Cb -0.13 -2.62 -0.03 0.00 -0.52 0.00 0.00 37.83 34.54 1m5z s LYS 29 CO -0.03 -0.21 -0.19 0.34 -0.92 0.00 0.00 175.35 174.34 1m5z s ASP 30 N -4.22 3.68 -0.94 2.83 2.15 -1.26 -4.74 116.67 114.17 1m5z s ASP 30 Ca 0.48 -0.33 -0.26 0.00 0.43 0.00 0.00 52.55 52.87 1m5z s ASP 30 Cb -0.10 -0.64 -0.19 0.00 -0.30 0.00 0.00 42.92 41.69 1m5z s ASP 30 CO 0.36 0.32 2.27 -0.94 -0.17 0.00 0.00 175.17 177.01 1m5z s SER 31 N -0.85 3.59 0.00 -0.34 1.04 -1.26 -0.81 113.70 115.07 1m5z s SER 31 Ca 0.12 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1m5z s SER 31 Cb -0.10 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1m5z s SER 31 CO 0.01 -4.41 0.00 0.61 0.98 0.00 0.00 173.24 170.43 1m5z n GLY 32 N 6.48 -0.31 3.83 7.32 0.00 -1.26 -5.14 105.19 116.10 1m5z n GLY 32 Ca 0.44 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 4.12 0.00 1.61 -1.94 0.01 -4.98 119.30 118.14 1m5z s MET 33 Ca 0.00 1.02 0.23 0.00 -1.71 0.00 0.00 55.69 55.23 1m5z s MET 33 Cb 0.00 -2.19 0.13 0.00 2.01 0.00 0.00 34.83 34.78 1m5z s MET 33 CO 0.00 -0.08 1.14 -1.91 -0.01 0.00 0.00 175.02 174.16 1m5z n GLU 34 N -0.89 0.03 -3.94 2.03 4.07 -1.26 -4.94 120.64 115.74 1m5z n GLU 34 Ca 0.06 -0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.06 1m5z n GLU 34 Cb 0.54 -1.51 -0.02 0.00 -0.06 0.00 0.00 31.44 30.39 1m5z n GLU 34 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1m5z s ASP 35 N -3.10 0.23 0.00 4.31 1.11 -1.26 -4.90 116.67 113.05 1m5z s ASP 35 Ca 0.09 -1.14 0.24 0.00 0.18 0.00 0.00 52.55 51.92 1m5z s ASP 35 Cb 0.16 0.73 0.65 0.00 1.07 0.00 0.00 42.92 45.53 1m5z s ASP 35 CO 0.79 -1.42 1.51 0.49 1.18 0.00 0.00 175.17 177.71 1m5z n PHE 36 N -0.50 0.15 0.00 4.23 3.72 -1.26 -4.83 117.46 118.96 1m5z n PHE 36 Ca -0.04 -0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1m5z n PHE 36 Cb 0.61 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.15 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 1.27 1.74 3.65 1.37 0.00 -1.26 -3.66 105.19 108.29 1m5z n GLY 37 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.28 0.21 1.61 -0.12 -1.26 -0.07 117.98 116.07 1m5z s PHE 38 Ca 0.00 0.61 -0.06 0.00 -0.05 0.00 0.00 56.93 57.43 1m5z s PHE 38 Cb 0.00 0.30 -0.06 0.00 -0.63 0.00 0.00 43.02 42.63 1m5z s PHE 38 CO 0.00 -0.14 0.49 -1.12 -0.05 0.00 0.00 175.22 174.40 1m5z s SER 39 N 0.71 6.53 0.38 1.98 0.01 0.82 -4.94 113.70 119.19 1m5z s SER 39 Ca -0.02 0.74 0.08 0.00 1.31 0.00 0.00 55.95 58.05 1m5z s SER 39 Cb -0.04 -2.15 -0.05 0.00 0.21 0.00 0.00 66.02 63.99 1m5z s SER 39 CO -0.12 -0.06 0.11 0.68 0.41 0.00 0.00 173.24 174.26 1m5z s VAL 40 N -1.83 2.44 -0.00 3.43 -7.23 -1.26 0.19 120.40 116.14 1m5z s VAL 40 Ca 0.44 -1.81 0.03 0.00 -1.81 0.00 0.00 61.98 58.83 1m5z s VAL 40 Cb -0.11 -2.94 -0.01 0.00 0.56 0.00 0.00 36.38 33.88 1m5z s VAL 40 CO 0.25 -0.08 -0.08 0.00 -0.31 0.00 0.00 175.10 174.88 1m5z s ALA 41 N -2.57 0.67 -0.06 1.32 0.00 0.43 -4.57 121.76 116.99 1m5z s ALA 41 Ca 0.38 -0.38 -0.30 0.00 0.00 0.00 0.00 51.96 51.66 1m5z s ALA 41 Cb 0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 1m5z s ALA 41 CO 0.21 0.16 1.48 0.34 0.00 0.00 0.00 175.76 177.94 1m5z s ASP 42 N -0.29 6.79 -1.00 0.00 2.15 -1.26 -0.49 116.67 122.57 1m5z s ASP 42 Ca 0.02 2.07 -0.23 0.00 0.43 0.00 0.00 52.55 54.84 1m5z s ASP 42 Cb -0.04 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.06 1m5z s ASP 42 CO -0.00 -0.82 1.60 -0.83 -0.17 0.00 0.00 175.17 174.95 1m5z s GLY 43 N 2.52 0.96 0.00 2.66 0.00 0.12 -4.76 107.32 108.81 1m5z s GLY 43 Ca 0.66 -2.07 0.30 0.00 0.00 0.00 0.00 44.72 43.61 1m5z s GLY 43 CO 0.25 2.92 1.99 1.47 0.00 0.00 0.00 173.10 179.73 1m5z n LEU 44 N 10.35 0.42 0.08 0.66 -0.00 -1.26 -2.14 117.00 125.11 1m5z n LEU 44 Ca 0.36 -0.04 0.13 0.00 -0.00 0.00 0.00 56.01 56.45 1m5z n LEU 44 Cb 0.50 -0.10 0.46 0.00 -0.00 0.00 0.00 43.42 44.27 1m5z n LEU 44 CO 0.65 0.07 0.88 0.18 -0.00 0.00 0.00 177.39 179.17 1m5z n LEU 45 N -0.83 0.57 0.00 1.47 4.32 -1.26 -4.79 117.00 116.48 1m5z n LEU 45 Ca 0.18 0.58 0.00 0.00 -0.02 0.00 0.00 56.01 56.75 1m5z n LEU 45 Cb 0.23 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 41.61 1m5z n LEU 45 CO 0.21 -0.23 0.00 -1.84 -1.22 0.00 0.00 177.39 174.30 1m5z n GLU 46 N -2.06 0.00 -3.65 3.23 0.28 -1.19 -5.16 120.64 112.09 1m5z n GLU 46 Ca 0.05 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 57.04 1m5z n GLU 46 Cb 0.35 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.16 1m5z n GLU 46 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1m5z s LYS 47 N 0.00 0.17 0.00 3.44 1.02 -0.91 -5.05 119.74 118.40 1m5z s LYS 47 Ca 0.00 0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.23 1m5z s LYS 47 Cb 0.00 0.05 0.00 0.00 -0.52 0.00 0.00 37.83 37.36 1m5z s LYS 47 CO 0.00 -0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.81 1m5z n GLY 48 N 2.64 0.71 3.41 -3.33 0.00 -1.19 -4.80 105.19 102.64 1m5z n GLY 48 Ca -0.15 -2.09 -0.14 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.33 0.01 0.05 1.61 1.01 -1.26 0.15 120.40 120.64 1m5z s VAL 49 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.90 1m5z s VAL 49 Cb 0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 1m5z s VAL 49 CO 0.00 -0.06 -0.08 -0.31 0.00 0.00 0.00 175.10 174.66 1m5z s TYR 50 N -0.39 0.71 0.09 5.22 2.02 0.35 -3.22 117.35 122.14 1m5z s TYR 50 Ca -0.05 -0.56 -0.31 0.00 -0.37 0.00 0.00 57.07 55.78 1m5z s TYR 50 Cb -0.03 -0.42 -0.10 0.00 -0.40 0.00 0.00 41.96 41.01 1m5z s TYR 50 CO 0.04 -0.09 1.87 0.08 -1.57 0.00 0.00 175.55 175.87 1m5z s VAL 51 N -1.69 2.69 -0.08 0.71 1.01 -1.24 0.16 120.40 121.97 1m5z s VAL 51 Ca -0.07 0.05 0.14 0.00 0.00 0.00 0.00 61.98 62.10 1m5z s VAL 51 Cb -0.08 -3.03 -0.16 0.00 0.00 0.00 0.00 36.38 33.11 1m5z s VAL 51 CO -0.00 -0.00 0.87 0.07 0.00 0.00 0.00 175.10 176.04 1m5z h LYS 52 N 9.21 0.00 -1.52 2.72 2.10 0.19 -3.20 116.57 126.07 1m5z h LYS 52 Ca -0.47 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.26 1m5z h LYS 52 Cb 1.22 0.00 -0.27 0.00 -0.90 0.00 0.00 32.23 32.28 1m5z h LYS 52 CO 0.95 0.45 0.52 0.54 -2.00 0.00 0.00 179.45 179.91 1m5z s ASN 53 N -6.04 -0.39 0.02 7.07 2.20 -0.99 -4.98 114.94 111.84 1m5z s ASN 53 Ca -0.02 0.73 0.09 0.00 -0.94 0.00 0.00 52.86 52.72 1m5z s ASN 53 Cb 0.08 0.74 -0.03 0.00 -2.00 0.00 0.00 41.25 40.05 1m5z s ASN 53 CO 0.81 -0.14 -0.25 -0.63 -2.94 0.00 0.00 177.10 173.95 1m5z s ILE 54 N 0.15 2.18 -0.25 0.54 1.01 -1.26 -0.13 121.20 123.44 1m5z s ILE 54 Ca 0.04 -1.27 -0.29 0.00 0.00 0.00 0.00 60.65 59.13 1m5z s ILE 54 Cb -0.05 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 1m5z s ILE 54 CO -0.07 0.44 1.90 -0.13 0.00 0.00 0.00 174.94 177.08 1m5z s ARG 55 N -1.04 3.43 -0.31 2.79 0.52 0.90 -4.89 118.95 120.35 1m5z s ARG 55 Ca 0.11 1.75 -0.31 0.00 -0.52 0.00 0.00 55.73 56.76 1m5z s ARG 55 Cb -0.10 -4.22 -0.08 0.00 0.52 0.00 0.00 34.95 31.07 1m5z s ARG 55 CO 0.01 -1.75 2.23 -2.30 0.02 0.00 0.00 175.30 173.51 1m5z n PRO 56 N 8.31 1.46 -2.00 3.54 -0.02 -1.26 -1.35 135.00 143.69 1m5z n PRO 56 Ca 0.24 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1m5z n PRO 56 Cb 0.45 -2.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 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 11.15 0.00 -3.84 3.55 0.00 -1.26 -5.07 120.51 125.04 1m5z n ALA 57 Ca 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.79 1m5z n ALA 57 Cb 0.35 -0.42 -0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.52 4.14 0.30 0.00 0.00 -0.45 -4.93 105.19 103.71 1m5z n GLY 58 Ca 0.00 -2.11 0.09 0.00 0.00 0.00 0.00 46.02 44.00 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 0.41 -0.60 1.61 0.11 -1.85 0.39 132.00 132.08 1m5z h PRO 59 Ca -0.02 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 1m5z h PRO 59 Cb 0.05 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.05 1m5z h PRO 59 CO 0.03 0.27 0.09 0.78 -0.21 0.00 0.00 178.00 178.96 1m5z h GLY 60 N 0.43 1.04 1.77 -0.55 0.00 -1.76 0.31 103.07 104.31 1m5z h GLY 60 Ca 0.48 -0.67 -0.17 0.00 0.00 0.00 0.00 47.33 46.97 1m5z h GLY 60 CO -0.47 0.63 -0.71 -1.80 0.00 0.00 0.00 176.54 174.19 1m5z h ASP 61 N 0.91 0.27 0.50 0.19 1.82 -1.18 -1.59 116.42 117.35 1m5z h ASP 61 Ca 0.18 -0.18 -0.15 0.00 -0.39 0.00 0.00 57.03 56.49 1m5z h ASP 61 Cb 0.41 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.33 1m5z h ASP 61 CO 0.01 0.90 -0.67 -0.07 -1.61 0.00 0.00 179.24 177.80 1m5z h LEU 62 N 0.15 0.18 -0.06 2.28 3.38 0.00 -3.23 115.31 118.01 1m5z h LEU 62 Ca -0.02 -0.11 -0.23 0.00 0.09 0.00 0.00 57.88 57.61 1m5z h LEU 62 Cb 1.27 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 41.98 1m5z h LEU 62 CO 0.11 0.79 -0.85 1.23 0.09 0.00 0.00 178.44 179.81 1m5z h GLY 63 N 1.70 0.76 0.00 0.83 0.00 -0.84 -3.48 103.07 102.03 1m5z h GLY 63 Ca -0.01 -1.21 0.00 0.00 0.00 0.00 0.00 47.33 46.11 1m5z h GLY 63 CO 0.10 1.07 0.00 0.61 0.00 0.00 0.00 176.54 178.32 1m5z n GLY 64 N 0.92 1.02 3.64 4.60 0.00 -0.87 -4.60 105.19 109.89 1m5z n GLY 64 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 4.01 -0.06 0.99 1.43 -0.65 -4.98 118.68 119.42 1m5z s LEU 65 Ca 0.00 2.14 -0.01 0.00 -1.03 0.00 0.00 54.13 55.23 1m5z s LEU 65 Cb 0.00 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 1m5z s LEU 65 CO 0.00 -1.34 -0.00 -0.75 0.23 0.00 0.00 176.35 174.49 1m5z s LYS 66 N 4.99 2.91 0.11 1.70 2.20 -1.26 -4.71 119.74 125.68 1m5z s LYS 66 Ca 0.86 -0.48 -0.32 0.00 -0.36 0.00 0.00 55.97 55.67 1m5z s LYS 66 Cb -0.34 -2.75 -0.18 0.00 -1.51 0.00 0.00 37.83 33.05 1m5z s LYS 66 CO 0.35 0.68 0.73 -2.30 -0.36 0.00 0.00 175.35 174.45 1m5z n PRO 67 N 1.89 0.00 -0.34 4.03 -0.01 -1.26 -0.78 135.00 138.53 1m5z n PRO 67 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.32 1m5z n PRO 67 Cb 0.53 -1.18 0.00 0.00 -0.01 0.00 0.00 33.50 32.84 1m5z n PRO 67 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 175.50 176.15 1m5z n TYR 68 N 0.62 0.00 -1.51 6.00 4.01 -1.21 -4.76 117.16 120.30 1m5z n TYR 68 Ca 0.18 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.79 1m5z n TYR 68 Cb 0.17 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.10 1m5z n TYR 68 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1m5z n ASP 69 N 0.00 0.95 -4.56 7.72 5.75 0.04 -4.50 116.55 121.95 1m5z n ASP 69 Ca 0.00 -1.79 -0.39 0.00 -0.01 0.00 0.00 54.79 52.60 1m5z n ASP 69 Cb 0.00 -1.49 -0.03 0.00 -1.03 0.00 0.00 41.12 38.57 1m5z n ASP 69 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1m5z s ARG 70 N 8.24 2.68 -0.39 0.11 3.52 0.30 -3.71 118.95 129.71 1m5z s ARG 70 Ca 0.84 1.04 -0.31 0.00 -0.13 0.00 0.00 55.73 57.17 1m5z s ARG 70 Cb -0.16 -4.39 -0.09 0.00 -1.56 0.00 0.00 34.95 28.75 1m5z s ARG 70 CO 0.16 -2.65 2.28 1.28 -0.81 0.00 0.00 175.30 175.57 1m5z n LEU 71 N 12.93 2.35 -0.04 -0.88 4.77 -1.20 -1.57 117.00 133.37 1m5z n LEU 71 Ca 0.25 0.15 -0.01 0.00 -0.03 0.00 0.00 56.01 56.37 1m5z n LEU 71 Cb 0.51 -1.39 -0.00 0.00 -2.33 0.00 0.00 43.42 40.21 1m5z n LEU 71 CO 0.70 -0.89 -0.07 -0.07 -1.33 0.00 0.00 177.39 175.74 1m5z h LEU 72 N 14.59 0.00 -7.98 2.23 3.38 -0.92 -3.36 115.31 123.25 1m5z h LEU 72 Ca -0.29 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.03 1m5z h LEU 72 Cb 1.29 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.68 1m5z h LEU 72 CO 1.06 0.37 -0.84 -1.10 0.09 0.00 0.00 178.44 178.02 1m5z s GLN 73 N -1.49 2.68 -0.28 1.13 -0.21 -0.77 -0.32 119.66 120.40 1m5z s GLN 73 Ca -0.03 -0.85 -0.11 0.00 0.02 0.00 0.00 55.36 54.40 1m5z s GLN 73 Cb 0.00 -2.51 -0.05 0.00 1.00 0.00 0.00 33.01 31.46 1m5z s GLN 73 CO 0.04 -0.28 0.18 0.08 -2.12 0.00 0.00 175.29 173.19 1m5z s VAL 74 N 1.31 5.22 -1.63 1.09 1.01 0.24 -0.07 120.40 127.58 1m5z s VAL 74 Ca 0.03 0.14 -0.13 0.00 0.00 0.00 0.00 61.98 62.01 1m5z s VAL 74 Cb -0.14 -3.48 0.11 0.00 0.00 0.00 0.00 36.38 32.87 1m5z s VAL 74 CO -0.11 0.26 0.64 -3.20 0.00 0.00 0.00 175.10 172.69 1m5z n ASN 75 N 5.02 -2.26 0.00 3.32 2.85 0.23 0.83 115.26 125.25 1m5z n ASN 75 Ca -0.14 -1.04 0.00 0.00 -0.11 0.00 0.00 54.58 53.29 1m5z n ASN 75 Cb 0.52 -2.70 0.00 0.00 1.24 0.00 0.00 39.78 38.84 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 -4.39 0.00 -2.75 1.20 1.44 -1.26 -5.00 115.22 104.46 1m5z n HIS 76 Ca -0.04 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.25 1m5z n HIS 76 Cb 0.55 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.63 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 -1.72 4.75 -1.02 0.61 1.01 0.24 -4.95 120.40 119.32 1m5z s VAL 77 Ca 0.00 1.86 -0.24 0.00 0.00 0.00 0.00 61.98 63.60 1m5z s VAL 77 Cb 0.00 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 1m5z s VAL 77 CO 0.00 -0.12 1.93 -0.13 0.00 0.00 0.00 175.10 176.78 1m5z s ARG 78 N 2.92 2.57 -0.39 2.72 1.81 -1.26 0.83 118.95 128.15 1m5z s ARG 78 Ca 0.41 -0.69 0.03 0.00 -1.72 0.00 0.00 55.73 53.76 1m5z s ARG 78 Cb -0.15 -5.15 0.54 0.00 -0.45 0.00 0.00 34.95 29.73 1m5z s ARG 78 CO 0.08 -3.58 1.79 0.25 -0.68 0.00 0.00 175.30 173.15 1m5z n THR 79 N 7.81 2.87 -0.07 0.02 -2.24 -0.24 -4.48 114.28 117.95 1m5z n THR 79 Ca 0.42 -1.67 -0.12 0.00 -2.27 0.00 0.00 64.05 60.41 1m5z n THR 79 Cb 0.47 -0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 68.02 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 0.92 0.43 -0.70 -0.78 3.08 -0.83 -2.97 114.38 113.53 1m5z h ARG 80 Ca 0.53 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1m5z h ARG 80 Cb 2.39 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.43 1m5z h ARG 80 CO 0.95 0.72 0.00 -0.25 -1.07 0.00 0.00 179.97 180.32 1m5z n ASP 81 N -4.55 3.62 -4.76 7.04 8.00 -1.26 -4.07 116.55 120.57 1m5z n ASP 81 Ca -0.05 -2.47 -0.28 0.00 0.71 0.00 0.00 54.79 52.71 1m5z n ASP 81 Cb 0.33 -0.56 0.10 0.00 -0.02 0.00 0.00 41.12 40.97 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 -1.95 2.63 0.37 1.24 0.40 -1.12 -4.64 117.98 114.90 1m5z s PHE 82 Ca 0.32 0.53 0.08 0.00 -0.60 0.00 0.00 56.93 57.27 1m5z s PHE 82 Cb 0.24 -3.50 -0.05 0.00 0.51 0.00 0.00 43.02 40.21 1m5z s PHE 82 CO 0.11 -1.83 0.11 0.16 0.70 0.00 0.00 175.22 174.48 1m5z s ASP 83 N -4.63 4.41 0.24 1.36 1.47 -1.26 -3.18 116.67 115.08 1m5z s ASP 83 Ca 0.64 -0.97 -0.05 0.00 1.18 0.00 0.00 52.55 53.35 1m5z s ASP 83 Cb -0.09 -0.57 0.44 0.00 -0.34 0.00 0.00 42.92 42.36 1m5z s ASP 83 CO 0.48 -0.37 1.73 0.00 0.68 0.00 0.00 175.17 177.69 1m5z n LEU 86 N -3.10 1.03 0.08 0.00 4.32 0.11 -4.23 117.00 115.21 1m5z n LEU 86 Ca -0.03 -0.03 -0.15 0.00 -0.02 0.00 0.00 56.01 55.79 1m5z n LEU 86 Cb 0.10 0.01 -0.08 0.00 -1.62 0.00 0.00 43.42 41.82 1m5z n LEU 86 CO 0.21 0.64 0.08 0.58 -1.22 0.00 0.00 177.39 177.68 1m5z h VAL 87 N 0.00 1.42 0.10 4.08 2.07 0.11 -2.43 116.25 121.59 1m5z h VAL 87 Ca -0.55 -2.66 0.01 0.00 0.82 0.00 0.00 66.70 64.32 1m5z h VAL 87 Cb 2.13 2.63 -0.02 0.00 -1.52 0.00 0.00 31.29 34.51 1m5z h VAL 87 CO -0.01 0.79 -0.14 0.58 0.02 0.00 0.00 177.57 178.81 1m5z h VAL 88 N 0.18 0.67 -0.28 2.57 2.07 -0.67 -0.59 116.25 120.21 1m5z h VAL 88 Ca -0.11 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 1m5z h VAL 88 Cb 1.75 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1m5z h VAL 88 CO 0.19 0.00 -0.08 1.55 0.02 0.00 0.00 177.57 179.25 1m5z h PRO 89 N -0.29 0.54 -0.59 1.57 0.13 -1.74 -2.43 132.00 129.20 1m5z h PRO 89 Ca 0.02 -0.21 0.14 0.00 -0.87 0.00 0.00 66.00 65.08 1m5z h PRO 89 Cb 0.30 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.37 1m5z h PRO 89 CO -0.07 0.75 0.41 -0.07 -0.23 0.00 0.00 178.00 178.79 1m5z h LEU 90 N 0.29 0.16 0.05 1.56 3.38 -1.31 1.00 115.31 120.44 1m5z h LEU 90 Ca 0.07 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1m5z h LEU 90 Cb 0.56 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1m5z h LEU 90 CO 0.03 0.08 -0.03 0.40 0.09 0.00 0.00 178.44 179.02 1m5z h ILE 91 N 0.17 1.29 0.00 1.22 2.04 -0.85 -2.90 117.51 118.48 1m5z h ILE 91 Ca 0.28 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.78 1m5z h ILE 91 Cb 0.88 2.16 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 1m5z h ILE 91 CO -0.04 0.33 0.00 0.00 0.00 0.00 0.00 178.15 178.44 1m5z n ALA 92 N -2.46 2.51 0.85 1.87 0.00 -0.62 -3.11 120.51 119.55 1m5z n ALA 92 Ca -0.09 -0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.29 1m5z n ALA 92 Cb 0.30 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.15 1.36 0.15 0.00 1.02 0.34 -4.34 120.64 118.01 1m5z n GLU 93 Ca 0.18 -0.69 0.11 0.00 -0.02 0.00 0.00 57.16 56.74 1m5z n GLU 93 Cb 0.17 -1.37 0.54 0.00 -0.02 0.00 0.00 31.44 30.76 1m5z n GLU 93 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1m5z n SER 94 N -0.39 0.62 0.00 1.62 2.88 -1.10 -4.97 113.62 112.27 1m5z n SER 94 Ca 0.07 0.72 0.00 0.00 -1.33 0.00 0.00 58.87 58.32 1m5z n SER 94 Cb 0.37 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 1m5z n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1m5z n GLY 95 N -0.67 0.61 0.00 0.46 0.00 -1.26 -4.09 105.19 100.24 1m5z n GLY 95 Ca 0.00 -1.52 0.11 0.00 0.00 0.00 0.00 46.02 44.61 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 0.76 0.00 -3.84 1.61 0.23 -1.26 -4.27 115.26 108.48 1m5z n ASN 96 Ca 0.00 -0.05 -0.11 0.00 -0.53 0.00 0.00 54.58 53.88 1m5z n ASN 96 Cb 0.00 -0.28 -0.09 0.00 -2.08 0.00 0.00 39.78 37.33 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 -2.55 0.58 -0.34 -3.83 1.02 -1.26 -0.68 119.74 112.68 1m5z s LYS 97 Ca 0.21 -0.42 0.01 0.00 0.02 0.00 0.00 55.97 55.79 1m5z s LYS 97 Cb 0.15 0.24 0.11 0.00 -0.52 0.00 0.00 37.83 37.81 1m5z s LYS 97 CO 0.34 -0.15 0.12 -1.17 -0.92 0.00 0.00 175.35 173.56 1m5z s LEU 98 N -1.57 2.72 -0.31 3.17 0.20 -0.43 -4.58 118.68 117.89 1m5z s LEU 98 Ca -0.12 -1.93 -0.13 0.00 0.69 0.00 0.00 54.13 52.65 1m5z s LEU 98 Cb -0.05 -1.02 -0.03 0.00 -0.43 0.00 0.00 46.19 44.66 1m5z s LEU 98 CO 0.01 -0.38 0.25 -1.81 -0.29 0.00 0.00 176.35 174.12 1m5z s ASP 99 N 1.24 6.08 0.15 3.68 1.01 -1.26 -1.28 116.67 126.28 1m5z s ASP 99 Ca 0.12 -0.14 -0.12 0.00 0.71 0.00 0.00 52.55 53.11 1m5z s ASP 99 Cb -0.19 -2.14 0.01 0.00 1.01 0.00 0.00 42.92 41.60 1m5z s ASP 99 CO -0.17 -0.16 0.33 -1.48 0.21 0.00 0.00 175.17 173.90 1m5z s LEU 100 N 1.81 0.78 -0.31 1.23 0.05 0.72 0.76 118.68 123.73 1m5z s LEU 100 Ca 0.08 -0.63 -0.02 0.00 0.05 0.00 0.00 54.13 53.60 1m5z s LEU 100 Cb -0.17 1.47 0.05 0.00 -2.05 0.00 0.00 46.19 45.50 1m5z s LEU 100 CO 0.11 -0.88 0.02 -0.69 -0.55 0.00 0.00 176.35 174.36 1m5z s VAL 101 N -3.89 3.09 0.40 1.48 1.01 0.90 0.03 120.40 123.42 1m5z s VAL 101 Ca 0.10 -1.39 0.08 0.00 0.00 0.00 0.00 61.98 60.77 1m5z s VAL 101 Cb 0.03 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 1m5z s VAL 101 CO -0.05 -0.14 0.40 0.27 0.00 0.00 0.00 175.10 175.58 1m5z s ILE 102 N 1.26 2.86 -0.08 2.22 -5.25 -0.93 -0.25 121.20 121.03 1m5z s ILE 102 Ca -0.04 -1.28 -0.01 0.00 -0.99 0.00 0.00 60.65 58.33 1m5z s ILE 102 Cb -0.20 -3.03 0.03 0.00 2.95 0.00 0.00 42.46 42.21 1m5z s ILE 102 CO -0.01 -0.03 -0.03 -0.94 -1.79 0.00 0.00 174.94 172.15 1m5z s SER 103 N -4.15 1.67 0.03 4.36 1.04 -0.61 0.34 113.70 116.39 1m5z s SER 103 Ca 0.48 -0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.77 1m5z s SER 103 Cb -0.05 -0.57 -0.02 0.00 0.10 0.00 0.00 66.02 65.48 1m5z s SER 103 CO 0.29 -0.15 -0.07 0.00 0.98 0.00 0.00 173.24 174.29 1m5z s ARG 104 N 1.71 0.47 -0.10 4.02 3.03 -0.89 -0.54 118.95 126.65 1m5z s ARG 104 Ca 0.02 -0.61 -0.30 0.00 2.03 0.00 0.00 55.73 56.88 1m5z s ARG 104 Cb -0.13 -0.27 -0.03 0.00 -1.03 0.00 0.00 34.95 33.49 1m5z s ARG 104 CO -0.05 0.05 1.27 0.54 -1.13 0.00 0.00 175.30 175.98 1m5z s ASN 105 N -1.23 6.97 0.00 -2.89 2.20 -1.26 0.72 114.94 119.44 1m5z s ASN 105 Ca -0.08 1.80 0.17 0.00 -0.94 0.00 0.00 52.86 53.82 1m5z s ASN 105 Cb -0.08 -2.55 1.04 0.00 -2.00 0.00 0.00 41.25 37.66 1m5z s ASN 105 CO 0.00 -0.69 1.44 -0.81 -2.94 0.00 0.00 177.10 174.10