#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 2.53 0.03 1.43 -0.04 -1.26 -3.78 135.00 133.90 1m5z n PRO 17 Ca 0.00 -1.44 0.00 0.00 -0.04 0.00 0.00 63.50 62.02 1m5z n PRO 17 Cb 0.00 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 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 2.68 0.00 -2.49 0.52 -1.04 -1.26 -5.06 114.28 107.63 1m5z n THR 18 Ca 0.53 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 62.14 1m5z n THR 18 Cb 0.71 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.19 1m5z n THR 18 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1m5z s PRO 19 N -2.00 3.60 1.05 -2.82 0.02 -1.25 -4.87 135.00 128.73 1m5z s PRO 19 Ca 0.00 -1.46 -0.22 0.00 0.02 0.00 0.00 61.00 59.34 1m5z s PRO 19 Cb 0.00 -5.41 -0.05 0.00 0.02 0.00 0.00 34.50 29.06 1m5z s PRO 19 CO 0.00 -2.47 -0.69 1.33 -0.33 0.00 0.00 177.00 174.83 1m5z n VAL 20 N 6.82 0.00 -4.22 3.83 0.24 -1.26 -4.70 118.33 119.05 1m5z n VAL 20 Ca 0.42 -0.18 -0.29 0.00 -2.04 0.00 0.00 64.34 62.25 1m5z n VAL 20 Cb 0.48 -0.30 -0.17 0.00 -1.47 0.00 0.00 33.84 32.38 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 -2.74 2.15 0.71 7.34 2.02 0.15 -4.74 118.70 123.59 1m5z s GLU 21 Ca 0.46 -0.52 -0.16 0.00 0.02 0.00 0.00 54.97 54.78 1m5z s GLU 21 Cb -0.03 -1.93 0.03 0.00 0.10 0.00 0.00 34.13 32.30 1m5z s GLU 21 CO 0.67 -0.16 1.24 -0.51 0.02 0.00 0.00 175.26 176.53 1m5z s LEU 22 N 1.27 3.38 -0.28 1.80 1.43 -1.26 -2.12 118.68 122.90 1m5z s LEU 22 Ca -0.01 2.46 -0.02 0.00 -1.03 0.00 0.00 54.13 55.54 1m5z s LEU 22 Cb -0.14 -4.60 0.17 0.00 0.03 0.00 0.00 46.19 41.65 1m5z s LEU 22 CO -0.06 -2.25 0.53 -1.00 0.23 0.00 0.00 176.35 173.80 1m5z s HIS 23 N -1.79 -1.36 -0.31 0.29 3.76 0.14 -4.91 115.29 111.12 1m5z s HIS 23 Ca 0.77 1.43 -0.29 0.00 -0.15 0.00 0.00 55.06 56.82 1m5z s HIS 23 Cb -0.32 0.39 -0.01 0.00 1.11 0.00 0.00 32.58 33.75 1m5z s HIS 23 CO 0.44 -0.83 1.50 0.21 -0.85 0.00 0.00 174.74 175.22 1m5z s LYS 24 N 2.76 3.71 0.03 1.40 2.47 -1.26 -2.16 119.74 126.68 1m5z s LYS 24 Ca 0.18 1.33 0.08 0.00 -1.56 0.00 0.00 55.97 56.01 1m5z s LYS 24 Cb -0.15 -4.01 -0.02 0.00 -1.46 0.00 0.00 37.83 32.18 1m5z s LYS 24 CO -0.19 -1.40 -0.24 0.14 0.16 0.00 0.00 175.35 173.82 1m5z s VAL 25 N 5.27 1.92 -0.24 4.02 -7.23 0.28 -5.00 120.40 119.43 1m5z s VAL 25 Ca 0.66 -1.23 -0.02 0.00 -1.81 0.00 0.00 61.98 59.57 1m5z s VAL 25 Cb -0.19 -1.64 0.07 0.00 0.56 0.00 0.00 36.38 35.18 1m5z s VAL 25 CO 0.29 0.36 0.06 -0.89 -0.31 0.00 0.00 175.10 174.61 1m5z s THR 26 N -0.74 0.60 0.62 5.32 2.01 -1.26 -0.50 115.64 121.70 1m5z s THR 26 Ca 0.10 -0.83 0.02 0.00 0.31 0.00 0.00 61.69 61.29 1m5z s THR 26 Cb -0.09 -1.23 0.08 0.00 0.01 0.00 0.00 72.50 71.27 1m5z s THR 26 CO 0.01 -0.38 0.86 -0.76 -0.69 0.00 0.00 174.62 173.66 1m5z s LEU 27 N 1.80 3.14 -0.05 4.42 1.02 -0.38 -4.62 118.68 124.00 1m5z s LEU 27 Ca 0.03 -0.34 -0.01 0.00 0.02 0.00 0.00 54.13 53.82 1m5z s LEU 27 Cb -0.17 -2.25 0.03 0.00 0.02 0.00 0.00 46.19 43.82 1m5z s LEU 27 CO -0.15 -1.47 0.02 -0.31 0.02 0.00 0.00 176.35 174.46 1m5z s TYR 28 N -2.88 0.41 0.15 0.29 1.51 -1.26 -1.79 117.35 113.78 1m5z s TYR 28 Ca 0.62 0.01 0.07 0.00 -1.01 0.00 0.00 57.07 56.76 1m5z s TYR 28 Cb -0.07 -0.63 -0.04 0.00 -0.11 0.00 0.00 41.96 41.11 1m5z s TYR 28 CO 0.41 -0.25 -0.05 0.21 -1.11 0.00 0.00 175.55 174.76 1m5z s LYS 29 N 1.88 2.26 -0.12 -0.62 2.20 0.16 -4.60 119.74 120.90 1m5z s LYS 29 Ca 0.03 -1.10 -0.05 0.00 -0.36 0.00 0.00 55.97 54.48 1m5z s LYS 29 Cb -0.12 -2.31 -0.04 0.00 -1.51 0.00 0.00 37.83 33.85 1m5z s LYS 29 CO -0.04 0.47 0.09 0.34 -0.36 0.00 0.00 175.35 175.85 1m5z s ASP 30 N -2.67 5.95 0.58 1.43 2.15 -1.26 -4.61 116.67 118.24 1m5z s ASP 30 Ca 0.25 0.33 0.29 0.00 0.43 0.00 0.00 52.55 53.85 1m5z s ASP 30 Cb -0.10 -1.87 1.45 0.00 -0.30 0.00 0.00 42.92 42.10 1m5z s ASP 30 CO 0.16 0.37 1.86 0.28 -0.17 0.00 0.00 175.17 177.67 1m5z h SER 31 N 5.23 0.00 0.38 -0.34 0.02 -2.00 0.57 113.55 117.41 1m5z h SER 31 Ca -0.52 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.12 1m5z h SER 31 Cb 1.21 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.78 1m5z h SER 31 CO 0.58 0.00 -1.37 1.23 -1.14 0.00 0.00 176.83 176.13 1m5z h GLY 32 N 0.00 0.52 -1.67 -3.77 0.00 -2.00 -3.46 103.07 92.70 1m5z h GLY 32 Ca 0.26 -1.30 -0.50 0.00 0.00 0.00 0.00 47.33 45.79 1m5z h GLY 32 CO -0.00 1.14 0.33 1.06 0.00 0.00 0.00 176.54 179.07 1m5z s MET 33 N -2.67 3.69 -0.14 4.80 -1.94 0.19 -5.01 119.30 118.23 1m5z s MET 33 Ca -0.07 0.69 0.11 0.00 -1.71 0.00 0.00 55.69 54.70 1m5z s MET 33 Cb 0.05 -2.17 -0.16 0.00 2.01 0.00 0.00 34.83 34.56 1m5z s MET 33 CO 0.92 -0.39 0.03 -1.91 -0.01 0.00 0.00 175.02 173.67 1m5z n GLU 34 N -2.25 1.67 -2.18 2.03 0.00 -1.26 -4.64 120.64 114.01 1m5z n GLU 34 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 57.16 56.95 1m5z n GLU 34 Cb 0.54 -1.35 0.09 0.00 0.00 0.00 0.00 31.44 30.73 1m5z n GLU 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1m5z s ASP 35 N -4.75 4.49 -0.24 4.31 1.11 -1.26 -4.87 116.67 115.46 1m5z s ASP 35 Ca -0.08 0.36 0.10 0.00 0.18 0.00 0.00 52.55 53.11 1m5z s ASP 35 Cb 0.04 -0.88 0.44 0.00 1.07 0.00 0.00 42.92 43.59 1m5z s ASP 35 CO 0.54 -1.81 1.25 0.33 1.18 0.00 0.00 175.17 176.65 1m5z n PHE 36 N -3.06 0.68 -0.98 4.23 -0.00 -1.26 -4.74 117.46 112.33 1m5z n PHE 36 Ca 0.10 -1.67 0.00 0.00 -0.00 0.00 0.00 57.45 55.88 1m5z n PHE 36 Cb 0.60 -0.30 0.00 0.00 -0.00 0.00 0.00 39.48 39.78 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 -1.04 0.57 3.43 7.13 0.00 -1.26 -3.87 105.19 110.16 1m5z n GLY 37 Ca 0.26 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.44 -0.47 0.07 1.61 -0.71 -1.26 0.33 117.98 115.11 1m5z s PHE 38 Ca 0.00 0.85 -0.08 0.00 -1.04 0.00 0.00 56.93 56.66 1m5z s PHE 38 Cb 0.00 0.28 -0.06 0.00 -1.21 0.00 0.00 43.02 42.04 1m5z s PHE 38 CO 0.00 -0.23 0.37 -1.12 -1.34 0.00 0.00 175.22 172.89 1m5z s SER 39 N 1.99 6.58 0.26 1.98 0.01 0.19 -4.95 113.70 119.76 1m5z s SER 39 Ca -0.04 0.71 0.09 0.00 1.31 0.00 0.00 55.95 58.02 1m5z s SER 39 Cb -0.04 -2.14 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 1m5z s SER 39 CO -0.16 0.17 0.06 0.68 0.41 0.00 0.00 173.24 174.40 1m5z s VAL 40 N -1.42 3.80 0.52 3.43 -7.23 -1.26 0.13 120.40 118.37 1m5z s VAL 40 Ca 0.33 -1.71 0.03 0.00 -1.81 0.00 0.00 61.98 58.81 1m5z s VAL 40 Cb -0.13 -3.03 -0.00 0.00 0.56 0.00 0.00 36.38 33.77 1m5z s VAL 40 CO 0.19 -0.35 0.12 0.00 -0.31 0.00 0.00 175.10 174.75 1m5z s ALA 41 N -2.23 4.18 0.44 1.32 0.00 0.31 -4.68 121.76 121.10 1m5z s ALA 41 Ca 0.32 -0.70 -0.02 0.00 0.00 0.00 0.00 51.96 51.55 1m5z s ALA 41 Cb -0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1m5z s ALA 41 CO 0.21 -0.15 0.69 0.34 0.00 0.00 0.00 175.76 176.86 1m5z s ASP 42 N -3.99 6.14 -0.14 0.00 2.15 -1.26 -2.44 116.67 117.12 1m5z s ASP 42 Ca 0.15 0.63 -0.00 0.00 0.43 0.00 0.00 52.55 53.76 1m5z s ASP 42 Cb 0.01 -2.00 -0.01 0.00 -0.30 0.00 0.00 42.92 40.62 1m5z s ASP 42 CO 0.09 -0.55 -0.13 -0.83 -0.17 0.00 0.00 175.17 173.58 1m5z s GLY 43 N -4.12 1.53 -0.17 2.66 0.00 0.33 -4.81 107.32 102.74 1m5z s GLY 43 Ca 0.46 -0.93 -0.14 0.00 0.00 0.00 0.00 44.72 44.10 1m5z s GLY 43 CO 0.41 -0.12 -0.21 -0.10 0.00 0.00 0.00 173.10 173.07 1m5z n LEU 44 N 3.69 1.87 0.04 0.66 -0.00 -1.26 -3.69 117.00 118.30 1m5z n LEU 44 Ca -0.18 0.48 -0.21 0.00 -0.00 0.00 0.00 56.01 56.10 1m5z n LEU 44 Cb 0.52 -0.83 -0.14 0.00 -0.00 0.00 0.00 43.42 42.97 1m5z n LEU 44 CO 0.30 -0.23 -0.26 -0.07 -0.00 0.00 0.00 177.39 177.12 1m5z h LEU 45 N -1.00 0.46 -1.05 -1.96 3.38 -2.00 -3.32 115.31 109.82 1m5z h LEU 45 Ca -0.10 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 56.98 1m5z h LEU 45 Cb 0.86 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1m5z h LEU 45 CO -0.06 1.56 0.00 -0.62 0.09 0.00 0.00 178.44 179.41 1m5z n GLU 46 N -3.96 1.66 -1.47 1.13 1.02 -1.26 -4.99 120.64 112.77 1m5z n GLU 46 Ca -0.21 -1.03 0.00 0.00 -0.02 0.00 0.00 57.16 55.90 1m5z n GLU 46 Cb 0.90 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 31.09 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 0.33 -0.17 -0.97 3.49 4.76 -1.25 -4.87 118.16 119.49 1m5z n LYS 47 Ca 0.10 0.33 0.00 0.00 -2.87 0.00 0.00 58.31 55.87 1m5z n LYS 47 Cb 0.24 -0.36 0.00 0.00 -1.84 0.00 0.00 35.03 33.07 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 0.95 -0.63 2.96 0.72 0.00 -1.24 -4.12 105.19 103.83 1m5z n GLY 48 Ca 0.00 -0.59 -0.13 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 -3.72 -0.01 0.20 1.61 1.01 -1.24 0.12 120.40 118.38 1m5z s VAL 49 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1m5z s VAL 49 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.18 1m5z s VAL 49 CO 0.00 0.01 0.08 -0.31 0.00 0.00 0.00 175.10 174.88 1m5z s TYR 50 N 0.23 1.23 -0.08 5.22 2.02 -1.02 -2.79 117.35 122.16 1m5z s TYR 50 Ca -0.01 -1.21 -0.30 0.00 -0.37 0.00 0.00 57.07 55.18 1m5z s TYR 50 Cb -0.02 -0.68 -0.04 0.00 -0.40 0.00 0.00 41.96 40.82 1m5z s TYR 50 CO -0.01 -0.43 1.40 0.08 -1.57 0.00 0.00 175.55 175.03 1m5z s VAL 51 N -3.90 3.92 -0.05 0.71 1.01 -1.05 0.11 120.40 121.14 1m5z s VAL 51 Ca 0.33 1.19 0.07 0.00 0.00 0.00 0.00 61.98 63.56 1m5z s VAL 51 Cb 0.07 -3.76 -0.24 0.00 0.00 0.00 0.00 36.38 32.45 1m5z s VAL 51 CO 0.09 -0.06 0.63 0.50 0.00 0.00 0.00 175.10 176.25 1m5z h LYS 52 N 8.38 0.08 -2.06 2.72 1.63 0.80 -2.42 116.57 125.70 1m5z h LYS 52 Ca -0.34 -0.13 0.04 0.00 -0.85 0.00 0.00 60.65 59.36 1m5z h LYS 52 Cb 1.15 0.05 -0.18 0.00 -0.60 0.00 0.00 32.23 32.65 1m5z h LYS 52 CO 0.94 0.71 0.39 0.54 -3.45 0.00 0.00 179.45 178.58 1m5z s ASN 53 N -6.39 -0.48 -0.04 4.20 2.20 -0.91 -4.98 114.94 108.55 1m5z s ASN 53 Ca -0.09 0.33 0.02 0.00 -0.94 0.00 0.00 52.86 52.19 1m5z s ASN 53 Cb 0.08 0.43 0.01 0.00 -2.00 0.00 0.00 41.25 39.76 1m5z s ASN 53 CO 0.81 -0.57 -0.10 -0.63 -2.94 0.00 0.00 177.10 173.67 1m5z s ILE 54 N -2.00 0.91 0.09 0.54 1.01 -1.26 -0.64 121.20 119.86 1m5z s ILE 54 Ca -0.02 -0.40 -0.31 0.00 0.00 0.00 0.00 60.65 59.92 1m5z s ILE 54 Cb -0.01 -0.82 -0.08 0.00 0.01 0.00 0.00 42.46 41.56 1m5z s ILE 54 CO -0.01 0.29 1.57 -0.13 0.00 0.00 0.00 174.94 176.66 1m5z s ARG 55 N 0.38 4.23 -0.14 2.79 0.52 0.15 -4.91 118.95 121.97 1m5z s ARG 55 Ca -0.07 2.26 -0.30 0.00 -0.52 0.00 0.00 55.73 57.10 1m5z s ARG 55 Cb -0.11 -3.43 -0.08 0.00 0.52 0.00 0.00 34.95 31.85 1m5z s ARG 55 CO 0.01 -0.64 2.11 -2.30 0.02 0.00 0.00 175.30 174.50 1m5z n PRO 56 N 4.93 2.16 0.00 3.54 -0.02 -1.26 -1.01 135.00 143.33 1m5z n PRO 56 Ca 0.14 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1m5z n PRO 56 Cb 0.41 -3.02 0.00 0.00 -0.02 0.00 0.00 33.50 30.87 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 9.67 0.00 -0.58 3.55 0.00 -1.26 -5.03 120.51 126.86 1m5z n ALA 57 Ca 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.59 1m5z n ALA 57 Cb 0.39 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.04 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 -2.00 -3.70 0.31 0.00 0.00 -0.18 -4.57 105.19 95.05 1m5z n GLY 58 Ca 0.00 -1.30 0.08 0.00 0.00 0.00 0.00 46.02 44.80 1m5z n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m5z h PRO 59 N 0.00 0.31 -0.64 1.61 0.13 -1.81 -1.86 132.00 129.74 1m5z h PRO 59 Ca -0.27 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.78 1m5z h PRO 59 Cb 0.88 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.92 1m5z h PRO 59 CO 0.16 0.20 0.14 0.78 -0.23 0.00 0.00 178.00 179.05 1m5z h GLY 60 N 0.32 1.10 1.78 1.56 0.00 -1.68 0.33 103.07 106.47 1m5z h GLY 60 Ca 0.15 -0.69 -0.17 0.00 0.00 0.00 0.00 47.33 46.62 1m5z h GLY 60 CO -0.03 0.64 -0.71 -1.80 0.00 0.00 0.00 176.54 174.64 1m5z h ASP 61 N 0.97 0.26 0.36 0.19 1.82 -1.55 -2.43 116.42 116.04 1m5z h ASP 61 Ca 0.20 -0.17 -0.21 0.00 -0.39 0.00 0.00 57.03 56.46 1m5z h ASP 61 Cb 0.37 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.30 1m5z h ASP 61 CO 0.00 0.88 -0.87 -0.07 -1.61 0.00 0.00 179.24 177.58 1m5z h LEU 62 N 0.15 0.46 0.42 2.28 3.38 -1.00 -3.34 115.31 117.66 1m5z h LEU 62 Ca -0.02 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1m5z h LEU 62 Cb 1.26 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1m5z h LEU 62 CO 0.11 1.13 -0.20 1.23 0.09 0.00 0.00 178.44 180.80 1m5z h GLY 63 N 1.36 -0.59 0.00 0.83 0.00 -0.31 -3.49 103.07 100.88 1m5z h GLY 63 Ca -0.06 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1m5z h GLY 63 CO 0.15 -0.21 0.00 0.61 0.00 0.00 0.00 176.54 177.08 1m5z n GLY 64 N 0.00 0.72 3.52 4.60 0.00 -0.93 -4.75 105.19 108.35 1m5z n GLY 64 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 3.63 0.29 0.99 1.02 -1.13 -4.98 118.68 118.49 1m5z s LEU 65 Ca 0.00 -0.10 0.07 0.00 0.02 0.00 0.00 54.13 54.12 1m5z s LEU 65 Cb 0.00 -1.96 -0.03 0.00 0.02 0.00 0.00 46.19 44.22 1m5z s LEU 65 CO 0.00 0.02 0.24 -0.54 0.02 0.00 0.00 176.35 176.09 1m5z s LYS 66 N 1.29 2.85 0.24 1.70 1.02 -1.26 -4.83 119.74 120.74 1m5z s LYS 66 Ca 0.05 -1.14 -0.30 0.00 0.02 0.00 0.00 55.97 54.60 1m5z s LYS 66 Cb -0.15 -2.54 -0.15 0.00 -0.52 0.00 0.00 37.83 34.48 1m5z s LYS 66 CO 0.04 0.28 1.07 -0.35 -0.92 0.00 0.00 175.35 175.47 1m5z n PRO 67 N -1.26 1.25 -0.62 -1.68 -0.04 -1.26 -1.20 135.00 130.18 1m5z n PRO 67 Ca -0.05 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1m5z n PRO 67 Cb 0.59 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.82 0.00 -1.51 0.54 4.01 -0.91 -4.93 117.16 115.18 1m5z n TYR 68 Ca 0.12 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.71 1m5z n TYR 68 Cb 0.29 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.20 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 0.59 -4.56 7.72 9.92 -0.34 -4.53 116.55 125.35 1m5z n ASP 69 Ca 0.00 -1.34 -0.41 0.00 -0.53 0.00 0.00 54.79 52.51 1m5z n ASP 69 Cb 0.00 -1.29 -0.03 0.00 -0.64 0.00 0.00 41.12 39.16 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 8.10 3.14 -0.16 -1.24 3.52 -0.58 -2.54 118.95 129.20 1m5z s ARG 70 Ca 0.97 0.19 -0.32 0.00 -0.13 0.00 0.00 55.73 56.44 1m5z s ARG 70 Cb -0.32 -4.19 -0.10 0.00 -1.56 0.00 0.00 34.95 28.79 1m5z s ARG 70 CO 0.23 -2.16 2.05 1.28 -0.81 0.00 0.00 175.30 175.89 1m5z n LEU 71 N 10.03 3.23 -0.03 -0.88 4.77 -1.12 -0.20 117.00 132.80 1m5z n LEU 71 Ca 0.10 0.64 -0.01 0.00 -0.03 0.00 0.00 56.01 56.71 1m5z n LEU 71 Cb 0.50 -1.42 -0.00 0.00 -2.33 0.00 0.00 43.42 40.17 1m5z n LEU 71 CO 0.71 -0.33 -0.05 -0.07 -1.33 0.00 0.00 177.39 176.32 1m5z h LEU 72 N 11.63 0.00 -7.32 2.23 3.38 0.46 -3.17 115.31 122.51 1m5z h LEU 72 Ca -0.42 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.01 1m5z h LEU 72 Cb 1.27 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.62 1m5z h LEU 72 CO 0.97 0.31 -0.77 0.00 0.09 0.00 0.00 178.44 179.04 1m5z s GLN 73 N -1.40 0.80 -0.19 1.13 -2.07 -0.88 0.09 119.66 117.14 1m5z s GLN 73 Ca -0.02 -0.54 -0.21 0.00 -1.82 0.00 0.00 55.36 52.78 1m5z s GLN 73 Cb 0.00 -2.18 -0.03 0.00 -1.09 0.00 0.00 33.01 29.72 1m5z s GLN 73 CO 0.03 -0.65 0.62 0.08 -1.32 0.00 0.00 175.29 174.05 1m5z s VAL 74 N 1.78 5.03 -1.73 3.63 1.01 0.36 -1.63 120.40 128.85 1m5z s VAL 74 Ca -0.01 1.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.94 1m5z s VAL 74 Cb -0.17 -3.93 0.17 0.00 0.00 0.00 0.00 36.38 32.44 1m5z s VAL 74 CO -0.08 0.12 0.78 0.59 0.00 0.00 0.00 175.10 176.51 1m5z n ASN 75 N 4.99 -3.23 0.00 3.32 3.02 0.15 0.10 115.26 123.61 1m5z n ASN 75 Ca -0.02 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 1m5z n ASN 75 Cb 0.50 -2.65 0.00 0.00 -0.61 0.00 0.00 39.78 37.02 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 -4.35 0.00 -2.83 3.10 -0.00 -1.26 -5.01 115.22 104.87 1m5z n HIS 76 Ca 0.09 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.85 1m5z n HIS 76 Cb 0.48 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.32 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 -1.64 4.93 0.22 3.57 1.01 0.28 -4.98 120.40 123.78 1m5z s VAL 77 Ca 0.00 1.84 -0.30 0.00 0.00 0.00 0.00 61.98 63.52 1m5z s VAL 77 Cb 0.00 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 1m5z s VAL 77 CO 0.00 0.18 1.32 -0.13 0.00 0.00 0.00 175.10 176.47 1m5z s ARG 78 N 1.03 4.37 0.00 2.72 0.52 -1.26 0.13 118.95 126.47 1m5z s ARG 78 Ca 0.46 2.10 0.19 0.00 -0.52 0.00 0.00 55.73 57.97 1m5z s ARG 78 Cb -0.20 -3.17 0.32 0.00 0.52 0.00 0.00 34.95 32.42 1m5z s ARG 78 CO 0.24 -0.26 1.13 0.25 0.02 0.00 0.00 175.30 176.67 1m5z n THR 79 N 2.38 0.00 0.03 0.02 -2.24 0.11 -4.83 114.28 109.76 1m5z n THR 79 Ca 0.05 -0.75 -0.11 0.00 -2.27 0.00 0.00 64.05 60.97 1m5z n THR 79 Cb 0.42 0.87 -0.09 0.00 -2.10 0.00 0.00 70.33 69.44 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 0.75 -0.15 -0.77 -0.78 3.08 -1.45 -3.25 114.38 111.80 1m5z h ARG 80 Ca -0.31 0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.69 1m5z h ARG 80 Cb 1.77 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.82 1m5z h ARG 80 CO 0.00 0.34 0.07 -0.25 -1.07 0.00 0.00 179.97 179.06 1m5z n ASP 81 N -4.88 4.05 -4.91 7.04 8.00 -1.26 -3.79 116.55 120.80 1m5z n ASP 81 Ca -0.08 -2.69 -0.28 0.00 0.71 0.00 0.00 54.79 52.44 1m5z n ASP 81 Cb 0.28 -0.64 0.08 0.00 -0.02 0.00 0.00 41.12 40.82 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 -2.17 2.98 0.22 1.24 0.40 -1.23 -4.67 117.98 114.75 1m5z s PHE 82 Ca 0.37 0.71 0.07 0.00 -0.60 0.00 0.00 56.93 57.47 1m5z s PHE 82 Cb 0.28 -3.39 -0.04 0.00 0.51 0.00 0.00 43.02 40.39 1m5z s PHE 82 CO 0.10 -1.63 0.10 -0.51 0.70 0.00 0.00 175.22 173.97 1m5z s ASP 83 N -4.54 5.14 0.34 1.36 1.01 -1.26 -3.63 116.67 115.09 1m5z s ASP 83 Ca 0.61 -0.35 0.10 0.00 0.71 0.00 0.00 52.55 53.62 1m5z s ASP 83 Cb -0.11 -1.20 0.85 0.00 1.01 0.00 0.00 42.92 43.47 1m5z s ASP 83 CO 0.48 0.02 1.80 0.00 0.21 0.00 0.00 175.17 177.68 1m5z n LEU 86 N -3.24 1.15 0.08 0.00 4.32 0.25 -4.11 117.00 115.45 1m5z n LEU 86 Ca -0.01 0.28 -0.14 0.00 -0.02 0.00 0.00 56.01 56.12 1m5z n LEU 86 Cb 0.25 -0.06 -0.07 0.00 -1.62 0.00 0.00 43.42 41.92 1m5z n LEU 86 CO 0.27 0.52 0.11 0.58 -1.22 0.00 0.00 177.39 177.65 1m5z h VAL 87 N 0.01 1.42 -0.03 4.08 2.07 -0.45 -2.57 116.25 120.79 1m5z h VAL 87 Ca -0.37 -2.61 0.03 0.00 0.82 0.00 0.00 66.70 64.57 1m5z h VAL 87 Cb 2.05 2.57 -0.04 0.00 -1.52 0.00 0.00 31.29 34.36 1m5z h VAL 87 CO 0.06 0.77 -0.18 0.58 0.02 0.00 0.00 177.57 178.83 1m5z h VAL 88 N 0.19 0.56 -0.32 2.57 2.07 -1.07 -0.40 116.25 119.84 1m5z h VAL 88 Ca -0.10 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 1m5z h VAL 88 Cb 1.69 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1m5z h VAL 88 CO 0.18 0.00 -0.16 1.55 0.02 0.00 0.00 177.57 179.16 1m5z h PRO 89 N -0.28 0.68 -0.75 1.57 0.13 -1.71 -1.69 132.00 129.95 1m5z h PRO 89 Ca 0.06 -0.30 0.16 0.00 -0.87 0.00 0.00 66.00 65.05 1m5z h PRO 89 Cb 0.36 -0.02 -0.05 0.00 0.13 0.00 0.00 31.00 31.43 1m5z h PRO 89 CO -0.19 0.89 0.51 -0.07 -0.23 0.00 0.00 178.00 178.91 1m5z h LEU 90 N 0.45 0.34 0.16 1.56 3.38 -1.22 0.11 115.31 120.07 1m5z h LEU 90 Ca 0.07 0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.80 1m5z h LEU 90 Cb 0.69 -0.04 0.03 0.00 0.09 0.00 0.00 40.66 41.43 1m5z h LEU 90 CO 0.05 0.17 -1.12 0.40 0.09 0.00 0.00 178.44 178.03 1m5z h ILE 91 N 0.35 1.37 0.00 1.22 2.04 -0.88 -3.25 117.51 118.37 1m5z h ILE 91 Ca 0.37 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.72 1m5z h ILE 91 Cb 0.93 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.96 1m5z h ILE 91 CO -0.11 0.74 0.00 0.00 0.00 0.00 0.00 178.15 178.78 1m5z n ALA 92 N -2.68 2.02 1.05 1.87 0.00 -0.30 -2.49 120.51 120.00 1m5z n ALA 92 Ca -0.14 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.32 1m5z n ALA 92 Cb 0.94 -1.31 0.09 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.28 1.50 0.17 0.00 0.28 0.21 -4.24 120.64 117.29 1m5z n GLU 93 Ca 0.09 -1.20 0.04 0.00 -0.16 0.00 0.00 57.16 55.94 1m5z n GLU 93 Cb 0.15 -1.48 0.46 0.00 1.43 0.00 0.00 31.44 32.00 1m5z n GLU 93 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1m5z h SER 94 N 2.92 0.11 0.00 -1.84 4.64 -1.60 -3.47 113.55 114.31 1m5z h SER 94 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1m5z h SER 94 Cb 0.78 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1m5z h SER 94 CO 0.00 0.27 0.00 0.61 -0.87 0.00 0.00 176.83 176.84 1m5z n GLY 95 N -0.99 2.59 0.00 -0.77 0.00 -1.26 -4.17 105.19 100.59 1m5z n GLY 95 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 2.12 0.00 -4.26 1.61 0.23 -1.26 -4.79 115.26 108.91 1m5z n ASN 96 Ca 0.00 0.00 -0.36 0.00 -0.53 0.00 0.00 54.58 53.69 1m5z n ASN 96 Cb 0.00 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.57 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 -0.98 2.79 -0.55 -3.83 1.02 -1.26 -0.67 119.74 116.26 1m5z s LYS 97 Ca 0.00 -1.04 -0.12 0.00 0.02 0.00 0.00 55.97 54.83 1m5z s LYS 97 Cb 0.00 -3.25 0.14 0.00 -0.52 0.00 0.00 37.83 34.20 1m5z s LYS 97 CO 0.00 -0.51 0.46 -1.17 -0.92 0.00 0.00 175.35 173.21 1m5z s LEU 98 N 1.38 5.99 -0.29 3.17 0.20 -0.74 -4.83 118.68 123.55 1m5z s LEU 98 Ca -0.01 -2.04 -0.15 0.00 0.69 0.00 0.00 54.13 52.63 1m5z s LEU 98 Cb -0.18 -2.10 -0.03 0.00 -0.43 0.00 0.00 46.19 43.45 1m5z s LEU 98 CO -0.00 -0.72 0.38 -0.62 -0.29 0.00 0.00 176.35 175.10 1m5z s ASP 99 N 2.80 6.24 0.14 3.68 -1.08 -1.26 -1.25 116.67 125.94 1m5z s ASP 99 Ca 0.07 0.14 -0.08 0.00 -0.52 0.00 0.00 52.55 52.16 1m5z s ASP 99 Cb -0.25 -2.21 -0.01 0.00 -1.46 0.00 0.00 42.92 38.99 1m5z s ASP 99 CO -0.01 -0.24 0.23 -1.48 0.52 0.00 0.00 175.17 174.20 1m5z s LEU 100 N 2.08 1.17 -0.27 -1.34 0.05 0.35 0.33 118.68 121.05 1m5z s LEU 100 Ca 0.14 -0.87 0.02 0.00 0.05 0.00 0.00 54.13 53.48 1m5z s LEU 100 Cb -0.16 1.04 0.06 0.00 -2.05 0.00 0.00 46.19 45.08 1m5z s LEU 100 CO 0.11 -0.84 -0.08 -0.69 -0.55 0.00 0.00 176.35 174.29 1m5z s VAL 101 N -3.96 2.30 0.40 1.48 1.01 -0.64 -0.55 120.40 120.43 1m5z s VAL 101 Ca 0.16 -1.65 0.08 0.00 0.00 0.00 0.00 61.98 60.56 1m5z s VAL 101 Cb 0.04 -2.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 1m5z s VAL 101 CO -0.02 -0.08 0.50 0.27 0.00 0.00 0.00 175.10 175.77 1m5z s ILE 102 N 1.11 3.17 -0.10 2.22 -5.25 -0.92 0.11 121.20 121.54 1m5z s ILE 102 Ca -0.07 -1.09 -0.05 0.00 -0.99 0.00 0.00 60.65 58.45 1m5z s ILE 102 Cb -0.20 -3.09 0.05 0.00 2.95 0.00 0.00 42.46 42.17 1m5z s ILE 102 CO -0.05 -0.04 0.23 -0.55 -1.79 0.00 0.00 174.94 172.75 1m5z s SER 103 N -4.25 -0.12 -0.03 4.36 0.15 0.73 0.27 113.70 114.81 1m5z s SER 103 Ca 0.51 0.50 -0.11 0.00 0.70 0.00 0.00 55.95 57.55 1m5z s SER 103 Cb -0.08 0.42 0.02 0.00 -1.71 0.00 0.00 66.02 64.66 1m5z s SER 103 CO 0.31 -0.18 0.23 0.00 1.20 0.00 0.00 173.24 174.81 1m5z s ARG 104 N 1.46 0.51 0.45 5.44 1.70 -0.90 -1.52 118.95 126.09 1m5z s ARG 104 Ca -0.07 -0.14 -0.25 0.00 -0.47 0.00 0.00 55.73 54.80 1m5z s ARG 104 Cb -0.11 0.23 -0.08 0.00 -0.57 0.00 0.00 34.95 34.42 1m5z s ARG 104 CO -0.08 -0.12 1.38 -0.80 -1.08 0.00 0.00 175.30 174.59 1m5z s ASN 105 N -1.00 5.95 0.00 -2.89 0.01 -1.26 0.30 114.94 116.05 1m5z s ASN 105 Ca -0.11 2.81 0.00 0.00 -0.71 0.00 0.00 52.86 54.85 1m5z s ASN 105 Cb -0.05 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 38.96 1m5z s ASN 105 CO 0.02 -1.11 0.33 -2.65 -1.51 0.00 0.00 177.10 172.18