#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jh5 s THR 2 N 0.00 2.18 -0.39 2.52 -4.23 -1.26 -5.11 115.64 109.35 1jh5 s THR 2 Ca 0.00 -1.67 -0.04 0.00 -1.18 0.00 0.00 61.69 58.80 1jh5 s THR 2 Cb 0.00 -2.85 0.09 0.00 1.34 0.00 0.00 72.50 71.07 1jh5 s THR 2 CO 0.00 0.00 0.17 -1.10 -0.54 0.00 0.00 174.62 173.15 1jh5 s GLN 3 N -3.96 2.26 0.55 3.99 -0.21 -1.26 -4.96 119.66 116.07 1jh5 s GLN 3 Ca 0.39 -1.60 -0.21 0.00 0.02 0.00 0.00 55.36 53.95 1jh5 s GLN 3 Cb 0.03 -3.55 -0.05 0.00 1.00 0.00 0.00 33.01 30.45 1jh5 s GLN 3 CO 0.22 -0.94 1.33 -0.51 -2.12 0.00 0.00 175.29 173.27 1jh5 s ASP 4 N 1.77 5.28 -0.09 5.90 1.01 -1.26 -4.77 116.67 124.51 1jh5 s ASP 4 Ca 0.04 2.70 -0.23 0.00 0.71 0.00 0.00 52.55 55.77 1jh5 s ASP 4 Cb -0.22 -2.63 0.05 0.00 1.01 0.00 0.00 42.92 41.13 1jh5 s ASP 4 CO -0.02 -1.56 0.55 0.00 0.21 0.00 0.00 175.17 174.35 1jh5 s LEU 6 N -0.80 1.46 -0.00 0.00 0.20 -0.84 -0.09 118.68 118.60 1jh5 s LEU 6 Ca -0.09 -0.02 0.04 0.00 0.69 0.00 0.00 54.13 54.76 1jh5 s LEU 6 Cb -0.03 -0.15 -0.01 0.00 -0.43 0.00 0.00 46.19 45.58 1jh5 s LEU 6 CO 0.06 -0.06 -0.14 -1.58 -0.29 0.00 0.00 176.35 174.34 1jh5 s GLN 7 N 0.64 1.09 0.16 1.98 0.74 -0.38 -4.19 119.66 119.71 1jh5 s GLN 7 Ca -0.06 -0.53 0.09 0.00 0.05 0.00 0.00 55.36 54.91 1jh5 s GLN 7 Cb -0.09 -1.07 -0.04 0.00 1.10 0.00 0.00 33.01 32.91 1jh5 s GLN 7 CO -0.01 0.29 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.36 1jh5 s LEU 8 N -0.44 2.80 0.03 3.68 1.02 -0.66 -0.56 118.68 124.56 1jh5 s LEU 8 Ca 0.05 -0.62 0.05 0.00 0.02 0.00 0.00 54.13 53.62 1jh5 s LEU 8 Cb -0.06 -1.54 -0.02 0.00 0.02 0.00 0.00 46.19 44.59 1jh5 s LEU 8 CO -0.00 0.13 -0.15 -0.63 0.02 0.00 0.00 176.35 175.72 1jh5 s ILE 9 N -1.54 1.18 0.21 -0.59 1.01 0.23 -1.71 121.20 119.99 1jh5 s ILE 9 Ca 0.22 -0.95 -0.32 0.00 0.00 0.00 0.00 60.65 59.61 1jh5 s ILE 9 Cb -0.09 -1.05 -0.11 0.00 0.01 0.00 0.00 42.46 41.22 1jh5 s ILE 9 CO 0.13 0.09 1.68 0.00 0.00 0.00 0.00 174.94 176.83 1jh5 s ALA 10 N -0.74 3.89 -0.91 9.38 0.00 -0.99 -0.65 121.76 131.73 1jh5 s ALA 10 Ca 0.03 1.54 -0.18 0.00 0.00 0.00 0.00 51.96 53.35 1jh5 s ALA 10 Cb -0.07 -3.68 0.14 0.00 0.00 0.00 0.00 23.12 19.51 1jh5 s ALA 10 CO 0.01 -0.90 1.08 0.34 0.00 0.00 0.00 175.76 176.29 1jh5 s ASP 11 N 1.10 6.64 0.00 0.00 2.15 0.20 -4.35 116.67 122.41 1jh5 s ASP 11 Ca 0.73 -2.11 0.00 0.00 0.43 0.00 0.00 52.55 51.60 1jh5 s ASP 11 Cb -0.48 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 39.76 1jh5 s ASP 11 CO 0.33 -1.01 0.10 -1.54 -0.17 0.00 0.00 175.17 172.89 1jh5 n SER 12 N 6.23 0.24 -0.83 -0.34 3.41 -1.15 -2.82 113.62 118.36 1jh5 n SER 12 Ca 0.22 -0.32 0.03 0.00 -0.26 0.00 0.00 58.87 58.54 1jh5 n SER 12 Cb 0.49 -0.08 0.05 0.00 -0.26 0.00 0.00 64.21 64.40 1jh5 n SER 12 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jh5 n GLU 13 N 0.54 0.32 -3.78 4.33 1.02 -1.26 -5.05 120.64 116.77 1jh5 n GLU 13 Ca 0.00 -1.80 -0.13 0.00 -0.02 0.00 0.00 57.16 55.21 1jh5 n GLU 13 Cb 0.05 -0.55 -0.09 0.00 -0.02 0.00 0.00 31.44 30.83 1jh5 n GLU 13 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1jh5 s THR 14 N -0.68 0.06 0.51 2.62 -4.23 -1.13 -5.15 115.64 107.65 1jh5 s THR 14 Ca 0.20 -0.53 -0.23 0.00 -1.18 0.00 0.00 61.69 59.95 1jh5 s THR 14 Cb 0.22 -0.62 -0.06 0.00 1.34 0.00 0.00 72.50 73.37 1jh5 s THR 14 CO -0.07 -0.29 1.34 -2.84 -0.54 0.00 0.00 174.62 172.22 1jh5 s PRO 15 N -1.47 3.36 -0.20 3.99 0.02 -1.26 -4.87 135.00 134.57 1jh5 s PRO 15 Ca -0.13 2.19 -0.29 0.00 0.02 0.00 0.00 61.00 62.79 1jh5 s PRO 15 Cb -0.05 -2.37 -0.02 0.00 0.02 0.00 0.00 34.50 32.07 1jh5 s PRO 15 CO 0.03 -1.00 1.51 0.95 -0.33 0.00 0.00 177.00 178.16 1jh5 s THR 16 N -1.32 3.85 0.15 0.99 -4.23 -1.26 -4.70 115.64 109.11 1jh5 s THR 16 Ca 0.68 0.98 -0.34 0.00 -1.18 0.00 0.00 61.69 61.82 1jh5 s THR 16 Cb -0.39 -3.79 -0.15 0.00 1.34 0.00 0.00 72.50 69.51 1jh5 s THR 16 CO 0.47 -0.26 1.38 -0.38 -0.54 0.00 0.00 174.62 175.30 1jh5 n ILE 17 N 6.05 0.31 -4.85 2.99 5.41 -0.63 -4.74 119.36 123.90 1jh5 n ILE 17 Ca 0.17 -0.08 -0.33 0.00 1.00 0.00 0.00 62.75 63.52 1jh5 n ILE 17 Cb 0.45 -1.12 -0.14 0.00 -0.71 0.00 0.00 39.64 38.12 1jh5 n ILE 17 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1jh5 s GLN 18 N 0.31 2.92 -0.29 0.38 2.00 -1.26 -0.31 119.66 123.40 1jh5 s GLN 18 Ca 0.78 -0.70 -0.17 0.00 -2.00 0.00 0.00 55.36 53.27 1jh5 s GLN 18 Cb -0.81 -2.49 0.17 0.00 0.80 0.00 0.00 33.01 30.67 1jh5 s GLN 18 CO 0.46 0.42 1.09 0.21 -0.50 0.00 0.00 175.29 176.98 1jh5 s LYS 19 N -0.21 0.27 -1.49 1.67 2.20 -0.89 -4.96 119.74 116.33 1jh5 s LYS 19 Ca 0.00 0.44 -0.12 0.00 -0.36 0.00 0.00 55.97 55.94 1jh5 s LYS 19 Cb -0.13 0.06 0.07 0.00 -1.51 0.00 0.00 37.83 36.32 1jh5 s LYS 19 CO 0.03 -0.05 0.99 0.41 -0.36 0.00 0.00 175.35 176.37 1jh5 n GLY 20 N 3.29 -0.49 3.89 5.54 0.00 -1.26 -1.24 105.19 114.92 1jh5 n GLY 20 Ca -0.17 0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1jh5 n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jh5 n SER 21 N -2.88 -4.43 -4.17 1.61 3.41 -1.26 -4.97 113.62 100.93 1jh5 n SER 21 Ca 0.01 -0.77 -0.21 0.00 -0.26 0.00 0.00 58.87 57.64 1jh5 n SER 21 Cb 0.54 -3.56 -0.13 0.00 -0.26 0.00 0.00 64.21 60.80 1jh5 n SER 21 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1jh5 s TYR 22 N -3.24 1.33 -0.15 7.33 1.51 -0.37 -3.63 117.35 120.12 1jh5 s TYR 22 Ca 0.65 -0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 56.28 1jh5 s TYR 22 Cb -0.33 -0.77 -0.03 0.00 -0.11 0.00 0.00 41.96 40.71 1jh5 s TYR 22 CO 0.80 0.06 -0.01 0.99 -1.11 0.00 0.00 175.55 176.28 1jh5 s THR 23 N -0.96 4.14 -0.16 -0.71 2.01 0.59 -2.09 115.64 118.46 1jh5 s THR 23 Ca 0.02 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.75 1jh5 s THR 23 Cb -0.09 -2.82 0.01 0.00 0.01 0.00 0.00 72.50 69.62 1jh5 s THR 23 CO 0.02 0.50 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.91 1jh5 s PHE 24 N 0.19 2.75 0.21 4.92 0.40 0.58 -1.32 117.98 125.71 1jh5 s PHE 24 Ca -0.00 -1.26 -0.31 0.00 -0.60 0.00 0.00 56.93 54.76 1jh5 s PHE 24 Cb -0.13 -1.88 -0.10 0.00 0.51 0.00 0.00 43.02 41.42 1jh5 s PHE 24 CO 0.02 -0.59 1.48 0.08 0.70 0.00 0.00 175.22 176.91 1jh5 s VAL 25 N 0.93 2.68 -0.39 -0.44 1.01 -1.26 -1.60 120.40 121.32 1jh5 s VAL 25 Ca -0.04 0.54 -0.29 0.00 0.00 0.00 0.00 61.98 62.19 1jh5 s VAL 25 Cb -0.15 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 32.90 1jh5 s VAL 25 CO -0.03 0.07 1.31 -2.84 0.00 0.00 0.00 175.10 173.61 1jh5 s PRO 26 N 0.19 3.72 0.58 2.72 0.02 -1.26 -4.88 135.00 136.09 1jh5 s PRO 26 Ca 0.63 0.95 -0.06 0.00 0.02 0.00 0.00 61.00 62.54 1jh5 s PRO 26 Cb -0.42 -3.95 -0.00 0.00 0.02 0.00 0.00 34.50 30.15 1jh5 s PRO 26 CO 0.39 -1.37 0.90 -1.58 -0.33 0.00 0.00 177.00 175.00 1jh5 s TRP 27 N 4.85 3.33 -0.16 6.54 0.23 -1.26 0.62 118.94 133.10 1jh5 s TRP 27 Ca 0.56 0.73 -0.08 0.00 -2.03 0.00 0.00 56.10 55.28 1jh5 s TRP 27 Cb -0.13 -2.68 0.06 0.00 0.03 0.00 0.00 33.47 30.75 1jh5 s TRP 27 CO 0.29 -0.74 0.37 -1.17 0.96 0.00 0.00 176.95 176.66 1jh5 s LEU 28 N -4.98 -0.05 0.05 2.99 2.96 0.17 -4.59 118.68 115.24 1jh5 s LEU 28 Ca 0.53 0.81 -0.34 0.00 -0.22 0.00 0.00 54.13 54.91 1jh5 s LEU 28 Cb -0.11 1.19 -0.13 0.00 0.50 0.00 0.00 46.19 47.64 1jh5 s LEU 28 CO 0.46 -0.19 1.69 -0.11 -1.32 0.00 0.00 176.35 176.88 1jh5 n LEU 29 N 4.41 3.14 -0.09 -0.68 7.94 -1.26 -0.60 117.00 129.86 1jh5 n LEU 29 Ca -0.22 1.04 -0.14 0.00 -1.11 0.00 0.00 56.01 55.59 1jh5 n LEU 29 Cb 0.54 -1.38 -0.07 0.00 0.53 0.00 0.00 43.42 43.03 1jh5 n LEU 29 CO 0.08 -0.24 -0.39 -1.28 -1.11 0.00 0.00 177.39 174.46 1jh5 h SER 30 N 7.19 0.00 -4.32 1.96 0.87 -1.14 -3.45 113.55 114.66 1jh5 h SER 30 Ca -0.47 -0.30 0.09 0.00 -1.23 0.00 0.00 61.79 59.88 1jh5 h SER 30 Cb 1.27 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 63.02 1jh5 h SER 30 CO 0.91 1.13 0.52 0.72 -0.53 0.00 0.00 176.83 179.58 1jh5 s PHE 31 N -2.27 -0.37 -0.05 2.24 -0.12 -1.10 -5.01 117.98 111.30 1jh5 s PHE 31 Ca -0.21 0.53 0.00 0.00 -0.05 0.00 0.00 56.93 57.20 1jh5 s PHE 31 Cb 0.04 0.47 0.02 0.00 -0.63 0.00 0.00 43.02 42.92 1jh5 s PHE 31 CO 0.42 -0.41 -0.03 0.21 -0.05 0.00 0.00 175.22 175.36 1jh5 s LYS 32 N -1.71 0.71 -0.10 1.99 2.20 -1.26 -1.25 119.74 120.32 1jh5 s LYS 32 Ca -0.00 -0.02 0.01 0.00 -0.36 0.00 0.00 55.97 55.59 1jh5 s LYS 32 Cb -0.01 -0.84 0.02 0.00 -1.51 0.00 0.00 37.83 35.49 1jh5 s LYS 32 CO -0.01 -0.16 -0.10 0.50 -0.36 0.00 0.00 175.35 175.22 1jh5 s ARG 33 N 1.25 1.73 0.52 4.03 3.52 0.87 -5.01 118.95 125.86 1jh5 s ARG 33 Ca -0.06 -0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 1jh5 s ARG 33 Cb -0.14 -1.62 0.00 0.00 -1.56 0.00 0.00 34.95 31.63 1jh5 s ARG 33 CO -0.02 -0.16 0.00 0.41 -0.81 0.00 0.00 175.30 174.72 1jh5 n GLY 34 N 4.53 -1.80 0.00 8.12 0.00 -1.26 -0.79 105.19 113.99 1jh5 n GLY 34 Ca -0.17 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1jh5 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jh5 n SER 35 N 0.18 4.83 0.23 1.61 3.41 -1.26 -4.75 113.62 117.87 1jh5 n SER 35 Ca 0.00 -0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.76 1jh5 n SER 35 Cb 0.00 1.03 0.83 0.00 -0.26 0.00 0.00 64.21 65.81 1jh5 n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jh5 h ALA 36 N 0.05 1.00 -3.38 7.33 0.00 -1.91 -3.43 119.26 118.92 1jh5 h ALA 36 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 1jh5 h ALA 36 Cb 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.59 1jh5 h ALA 36 CO 0.00 0.00 -0.75 -0.51 0.00 0.00 0.00 179.25 177.99 1jh5 s LEU 37 N -5.22 2.21 0.14 0.00 1.43 -1.26 -0.20 118.68 115.78 1jh5 s LEU 37 Ca -0.03 -0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 52.53 1jh5 s LEU 37 Cb 0.09 -0.26 -0.01 0.00 0.03 0.00 0.00 46.19 46.04 1jh5 s LEU 37 CO 0.31 -0.12 0.23 -1.61 0.23 0.00 0.00 176.35 175.38 1jh5 s GLU 38 N -1.30 1.05 0.14 1.70 2.02 -0.64 -4.93 118.70 116.74 1jh5 s GLU 38 Ca -0.06 -1.16 -0.10 0.00 0.02 0.00 0.00 54.97 53.67 1jh5 s GLU 38 Cb -0.08 0.35 -0.06 0.00 0.10 0.00 0.00 34.13 34.43 1jh5 s GLU 38 CO 0.01 -0.36 0.46 -1.21 0.02 0.00 0.00 175.26 174.18 1jh5 s GLU 39 N -3.95 3.80 -0.29 1.61 2.02 -1.26 0.06 118.70 120.68 1jh5 s GLU 39 Ca 0.15 0.24 0.03 0.00 0.02 0.00 0.00 54.97 55.41 1jh5 s GLU 39 Cb 0.04 -2.89 0.20 0.00 0.10 0.00 0.00 34.13 31.58 1jh5 s GLU 39 CO -0.02 0.48 0.62 0.21 0.02 0.00 0.00 175.26 176.56 1jh5 s LYS 40 N -2.22 0.54 -1.16 1.61 2.20 0.42 -4.81 119.74 116.33 1jh5 s LYS 40 Ca 0.38 0.68 -0.19 0.00 -0.36 0.00 0.00 55.97 56.48 1jh5 s LYS 40 Cb -0.13 0.34 -0.01 0.00 -1.51 0.00 0.00 37.83 36.52 1jh5 s LYS 40 CO 0.20 -0.87 0.77 0.39 -0.36 0.00 0.00 175.35 175.48 1jh5 n GLU 41 N 5.41 -1.43 -1.57 4.03 1.02 -1.26 -1.58 120.64 125.27 1jh5 n GLU 41 Ca 0.03 0.46 -0.19 0.00 -0.02 0.00 0.00 57.16 57.44 1jh5 n GLU 41 Cb 0.53 -4.17 -0.08 0.00 -0.02 0.00 0.00 31.44 27.71 1jh5 n GLU 41 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1jh5 n ASN 42 N -2.70 -5.27 -4.22 1.62 4.05 -1.26 -4.97 115.26 102.52 1jh5 n ASN 42 Ca -0.11 0.45 -0.13 0.00 0.45 0.00 0.00 54.58 55.25 1jh5 n ASN 42 Cb 0.60 -4.42 -0.10 0.00 1.23 0.00 0.00 39.78 37.09 1jh5 n ASN 42 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1jh5 s LYS 43 N -3.63 0.97 -0.24 1.20 1.02 -0.62 -4.85 119.74 113.61 1jh5 s LYS 43 Ca 0.00 -1.42 -0.13 0.00 0.02 0.00 0.00 55.97 54.44 1jh5 s LYS 43 Cb 0.00 -0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 36.87 1jh5 s LYS 43 CO 0.00 0.01 0.27 0.42 -0.92 0.00 0.00 175.35 175.13 1jh5 s ILE 44 N -3.50 5.27 -0.19 2.17 1.01 -0.27 -0.44 121.20 125.26 1jh5 s ILE 44 Ca 0.16 0.41 -0.11 0.00 0.00 0.00 0.00 60.65 61.10 1jh5 s ILE 44 Cb 0.04 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 1jh5 s ILE 44 CO -0.01 0.27 0.19 -0.22 0.00 0.00 0.00 174.94 175.17 1jh5 s LEU 45 N 1.38 4.21 -0.24 2.97 2.96 0.11 -0.31 118.68 129.77 1jh5 s LEU 45 Ca 0.12 0.31 -0.24 0.00 -0.22 0.00 0.00 54.13 54.10 1jh5 s LEU 45 Cb -0.15 -2.19 -0.01 0.00 0.50 0.00 0.00 46.19 44.35 1jh5 s LEU 45 CO 0.07 0.14 0.82 -0.69 -1.32 0.00 0.00 176.35 175.37 1jh5 s VAL 46 N 0.48 4.85 -1.05 1.68 1.01 -0.11 -1.62 120.40 125.63 1jh5 s VAL 46 Ca 0.11 1.56 0.19 0.00 0.00 0.00 0.00 61.98 63.84 1jh5 s VAL 46 Cb -0.12 -4.11 -0.17 0.00 0.00 0.00 0.00 36.38 31.98 1jh5 s VAL 46 CO 0.01 -0.06 0.84 0.29 0.00 0.00 0.00 175.10 176.17 1jh5 n LYS 47 N 5.94 0.84 -3.71 2.72 4.76 0.72 -0.28 118.16 129.15 1jh5 n LYS 47 Ca 0.05 -0.15 -0.14 0.00 -2.87 0.00 0.00 58.31 55.20 1jh5 n LYS 47 Cb 0.48 -1.40 -0.14 0.00 -1.84 0.00 0.00 35.03 32.13 1jh5 n LYS 47 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1jh5 s GLU 48 N -2.71 0.13 0.53 1.97 2.02 -1.23 -4.78 118.70 114.63 1jh5 s GLU 48 Ca 0.09 0.53 -0.20 0.00 0.02 0.00 0.00 54.97 55.41 1jh5 s GLU 48 Cb 0.15 -0.15 -0.06 0.00 0.10 0.00 0.00 34.13 34.16 1jh5 s GLU 48 CO 0.74 -0.22 1.13 0.95 0.02 0.00 0.00 175.26 177.88 1jh5 s THR 49 N 1.66 3.18 -3.87 3.63 -4.23 -1.26 -4.56 115.64 110.18 1jh5 s THR 49 Ca -0.05 0.75 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 1jh5 s THR 49 Cb -0.11 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.41 1jh5 s THR 49 CO -0.07 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1jh5 n GLY 50 N 0.18 -0.92 3.66 3.99 0.00 -0.01 -4.93 105.19 107.16 1jh5 n GLY 50 Ca 0.11 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 1jh5 n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jh5 s TYR 51 N -3.00 3.31 0.08 1.61 1.51 -1.26 -1.01 117.35 118.58 1jh5 s TYR 51 Ca 0.00 0.17 0.08 0.00 -1.01 0.00 0.00 57.07 56.31 1jh5 s TYR 51 Cb 0.00 -2.18 -0.03 0.00 -0.11 0.00 0.00 41.96 39.63 1jh5 s TYR 51 CO 0.00 0.12 -0.22 -0.06 -1.11 0.00 0.00 175.55 174.28 1jh5 s PHE 52 N 0.71 1.89 -0.24 2.71 0.40 -0.32 -0.82 117.98 122.30 1jh5 s PHE 52 Ca 0.06 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 55.87 1jh5 s PHE 52 Cb -0.13 -1.07 -0.05 0.00 0.51 0.00 0.00 43.02 42.29 1jh5 s PHE 52 CO 0.01 0.18 0.24 0.12 0.70 0.00 0.00 175.22 176.47 1jh5 s PHE 53 N -1.01 3.30 -0.09 0.36 5.36 0.54 -1.34 117.98 125.10 1jh5 s PHE 53 Ca 0.08 0.31 0.04 0.00 -0.96 0.00 0.00 56.93 56.40 1jh5 s PHE 53 Cb -0.10 -2.37 -0.00 0.00 -0.34 0.00 0.00 43.02 40.21 1jh5 s PHE 53 CO 0.03 -0.02 -0.23 0.42 -1.46 0.00 0.00 175.22 173.97 1jh5 s ILE 54 N 1.34 1.94 0.31 3.12 1.01 0.81 -0.57 121.20 129.17 1jh5 s ILE 54 Ca 0.11 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.82 1jh5 s ILE 54 Cb -0.14 -1.68 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 1jh5 s ILE 54 CO 0.07 0.53 0.10 -0.72 0.00 0.00 0.00 174.94 174.92 1jh5 s TYR 55 N 0.28 1.73 0.00 3.97 -0.85 -1.26 -1.07 117.35 120.15 1jh5 s TYR 55 Ca -0.16 -1.15 0.00 0.00 -0.52 0.00 0.00 57.07 55.25 1jh5 s TYR 55 Cb -0.17 -1.06 0.00 0.00 0.38 0.00 0.00 41.96 41.11 1jh5 s TYR 55 CO 0.07 -0.24 0.00 0.41 -1.52 0.00 0.00 175.55 174.27 1jh5 n GLY 56 N -0.62 1.53 3.06 5.49 0.00 -0.89 0.15 105.19 113.91 1jh5 n GLY 56 Ca -0.01 0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 1jh5 n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jh5 s GLN 57 N -0.95 0.59 -0.00 1.61 0.74 -0.51 -2.24 119.66 118.88 1jh5 s GLN 57 Ca 0.00 -0.67 -0.00 0.00 0.05 0.00 0.00 55.36 54.74 1jh5 s GLN 57 Cb 0.00 -0.45 0.00 0.00 1.10 0.00 0.00 33.01 33.66 1jh5 s GLN 57 CO 0.00 0.10 0.00 0.08 -0.55 0.00 0.00 175.29 174.92 1jh5 s VAL 58 N -1.06 0.00 -0.35 1.34 1.01 -1.08 -1.09 120.40 119.16 1jh5 s VAL 58 Ca -0.05 -0.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 1jh5 s VAL 58 Cb -0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 36.38 36.28 1jh5 s VAL 58 CO 0.01 -0.01 0.24 -0.22 0.00 0.00 0.00 175.10 175.11 1jh5 s LEU 59 N -0.02 4.61 -0.17 3.92 0.20 -1.25 -0.83 118.68 125.13 1jh5 s LEU 59 Ca -0.00 -0.61 -0.19 0.00 0.69 0.00 0.00 54.13 54.02 1jh5 s LEU 59 Cb -0.00 -2.11 -0.03 0.00 -0.43 0.00 0.00 46.19 43.62 1jh5 s LEU 59 CO -0.00 -0.29 0.53 -0.31 -0.29 0.00 0.00 176.35 175.98 1jh5 s TYR 60 N 1.68 3.41 -0.07 5.38 1.51 -1.26 -1.83 117.35 126.17 1jh5 s TYR 60 Ca 0.05 0.84 0.11 0.00 -1.01 0.00 0.00 57.07 57.05 1jh5 s TYR 60 Cb -0.18 -2.66 0.16 0.00 -0.11 0.00 0.00 41.96 39.17 1jh5 s TYR 60 CO 0.09 -0.03 1.08 0.25 -1.11 0.00 0.00 175.55 175.83 1jh5 n THR 61 N 4.31 1.48 -3.17 -0.71 -2.24 0.25 -1.63 114.28 112.59 1jh5 n THR 61 Ca -0.05 -1.69 -0.33 0.00 -2.27 0.00 0.00 64.05 59.71 1jh5 n THR 61 Cb 0.51 0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.77 1jh5 n THR 61 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jh5 s ASP 62 N -2.04 6.80 -0.24 3.42 3.68 -0.73 -4.61 116.67 122.96 1jh5 s ASP 62 Ca 0.18 1.26 0.14 0.00 2.13 0.00 0.00 52.55 56.25 1jh5 s ASP 62 Cb 0.15 -2.36 0.60 0.00 -1.45 0.00 0.00 42.92 39.86 1jh5 s ASP 62 CO 0.02 -0.15 1.54 2.29 0.13 0.00 0.00 175.17 179.00 1jh5 n LYS 63 N -0.15 3.09 -1.58 4.34 2.85 -1.26 -4.73 118.16 120.72 1jh5 n LYS 63 Ca 0.02 -2.99 -0.39 0.00 -1.05 0.00 0.00 58.31 53.90 1jh5 n LYS 63 Cb 0.53 -1.96 -0.02 0.00 -0.65 0.00 0.00 35.03 32.93 1jh5 n LYS 63 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1jh5 n THR 64 N -0.44 4.63 0.00 0.58 -2.24 -1.26 -4.74 114.28 110.80 1jh5 n THR 64 Ca 0.28 -3.23 0.00 0.00 -2.27 0.00 0.00 64.05 58.83 1jh5 n THR 64 Cb 1.06 -2.42 0.00 0.00 -2.10 0.00 0.00 70.33 66.86 1jh5 n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jh5 n TYR 65 N 3.00 0.00 -3.49 4.78 0.18 -1.26 -4.56 117.16 115.82 1jh5 n TYR 65 Ca 0.72 0.00 0.01 0.00 1.88 0.00 0.00 57.90 60.51 1jh5 n TYR 65 Cb 0.24 -0.09 -0.03 0.00 -0.38 0.00 0.00 39.34 39.08 1jh5 n TYR 65 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1jh5 s ALA 66 N 0.00 -2.25 0.38 -3.48 0.00 -1.26 -1.21 121.76 113.94 1jh5 s ALA 66 Ca 0.00 2.16 0.08 0.00 0.00 0.00 0.00 51.96 54.20 1jh5 s ALA 66 Cb 0.00 -1.93 -0.07 0.00 0.00 0.00 0.00 23.12 21.11 1jh5 s ALA 66 CO 0.00 -1.04 -0.02 -1.64 0.00 0.00 0.00 175.76 173.06 1jh5 s MET 67 N 2.82 1.89 0.00 0.00 -1.94 -0.12 -4.92 119.30 117.04 1jh5 s MET 67 Ca 0.00 -2.04 0.00 0.00 -1.71 0.00 0.00 55.69 51.94 1jh5 s MET 67 Cb -0.12 -1.62 0.00 0.00 2.01 0.00 0.00 34.83 35.11 1jh5 s MET 67 CO -0.19 0.00 0.00 0.41 -0.01 0.00 0.00 175.02 175.24 1jh5 n GLY 68 N -0.89 1.22 3.28 -0.03 0.00 -1.26 0.04 105.19 107.54 1jh5 n GLY 68 Ca -0.05 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 1jh5 n GLY 68 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1jh5 s HIS 69 N -2.00 1.38 0.04 1.61 -3.43 -1.09 -4.22 115.29 107.58 1jh5 s HIS 69 Ca 0.00 -1.18 0.07 0.00 -0.80 0.00 0.00 55.06 53.15 1jh5 s HIS 69 Cb 0.00 -0.79 -0.02 0.00 -1.43 0.00 0.00 32.58 30.34 1jh5 s HIS 69 CO 0.00 -0.36 -0.19 -0.51 -2.00 0.00 0.00 174.74 171.68 1jh5 s LEU 70 N -3.25 2.16 -0.33 5.38 1.43 0.12 -1.77 118.68 122.42 1jh5 s LEU 70 Ca 0.34 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 1jh5 s LEU 70 Cb 0.07 -0.91 0.04 0.00 0.03 0.00 0.00 46.19 45.42 1jh5 s LEU 70 CO 0.11 0.14 0.09 -0.63 0.23 0.00 0.00 176.35 176.29 1jh5 s ILE 71 N -0.78 3.65 0.22 -0.59 1.01 -1.22 -0.55 121.20 122.95 1jh5 s ILE 71 Ca 0.06 -1.18 0.08 0.00 0.00 0.00 0.00 60.65 59.62 1jh5 s ILE 71 Cb -0.08 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 1jh5 s ILE 71 CO 0.01 -0.17 0.05 -1.10 0.00 0.00 0.00 174.94 173.74 1jh5 s GLN 72 N 1.38 2.51 -0.07 2.79 -0.21 0.36 -0.76 119.66 125.66 1jh5 s GLN 72 Ca -0.02 -1.19 0.05 0.00 0.02 0.00 0.00 55.36 54.21 1jh5 s GLN 72 Cb -0.20 -2.35 -0.00 0.00 1.00 0.00 0.00 33.01 31.46 1jh5 s GLN 72 CO 0.02 0.41 -0.21 0.50 -2.12 0.00 0.00 175.29 173.89 1jh5 s ARG 73 N -3.42 2.39 -0.46 2.91 3.52 0.17 -1.68 118.95 122.38 1jh5 s ARG 73 Ca 0.30 -0.76 -0.09 0.00 -0.13 0.00 0.00 55.73 55.06 1jh5 s ARG 73 Cb -0.08 -1.94 0.11 0.00 -1.56 0.00 0.00 34.95 31.48 1jh5 s ARG 73 CO 0.21 0.24 0.33 0.15 -0.81 0.00 0.00 175.30 175.42 1jh5 s LYS 74 N 0.15 2.47 0.32 5.12 1.02 -0.26 -0.90 119.74 127.65 1jh5 s LYS 74 Ca -0.10 -1.73 -0.29 0.00 0.02 0.00 0.00 55.97 53.87 1jh5 s LYS 74 Cb -0.15 -3.89 -0.11 0.00 -0.52 0.00 0.00 37.83 33.16 1jh5 s LYS 74 CO 0.05 -1.16 1.58 1.63 -0.92 0.00 0.00 175.35 176.53 1jh5 n LYS 75 N 4.89 2.74 0.10 1.68 5.02 0.69 -2.90 118.16 130.38 1jh5 n LYS 75 Ca -0.08 0.97 -0.23 0.00 -2.02 0.00 0.00 58.31 56.96 1jh5 n LYS 75 Cb 0.41 -2.75 -0.14 0.00 -0.02 0.00 0.00 35.03 32.53 1jh5 n LYS 75 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1jh5 h VAL 76 N 3.27 1.34 -3.09 -0.18 2.07 -1.88 -3.45 116.25 114.33 1jh5 h VAL 76 Ca -0.48 -2.54 -0.65 0.00 0.82 0.00 0.00 66.70 63.85 1jh5 h VAL 76 Cb 1.23 2.94 -0.09 0.00 -1.52 0.00 0.00 31.29 33.84 1jh5 h VAL 76 CO 0.76 0.76 -0.57 -1.00 0.02 0.00 0.00 177.57 177.53 1jh5 s HIS 77 N -2.73 3.30 0.04 1.57 3.76 -1.26 -5.07 115.29 114.89 1jh5 s HIS 77 Ca -0.10 0.18 0.00 0.00 -0.15 0.00 0.00 55.06 54.99 1jh5 s HIS 77 Cb 0.04 -1.71 0.00 0.00 1.11 0.00 0.00 32.58 32.02 1jh5 s HIS 77 CO 0.91 0.55 0.00 0.28 -0.85 0.00 0.00 174.74 175.63 1jh5 n VAL 78 N 0.87 0.33 -0.49 -0.90 0.31 -1.26 -4.99 118.33 112.19 1jh5 n VAL 78 Ca -0.11 0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1jh5 n VAL 78 Cb 0.52 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 1jh5 n VAL 78 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1jh5 n PHE 79 N -2.81 -0.51 -0.08 3.52 3.01 -1.26 -4.61 117.46 114.72 1jh5 n PHE 79 Ca 0.00 0.29 0.00 0.00 1.01 0.00 0.00 57.45 58.75 1jh5 n PHE 79 Cb 0.00 -2.02 0.00 0.00 -0.01 0.00 0.00 39.48 37.45 1jh5 n PHE 79 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jh5 n GLY 80 N -0.01 2.87 2.05 1.37 0.00 -1.26 -2.26 105.19 107.94 1jh5 n GLY 80 Ca 0.00 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 1jh5 n GLY 80 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jh5 n ASP 81 N 2.19 3.65 -4.78 1.61 5.75 -1.26 -4.98 116.55 118.73 1jh5 n ASP 81 Ca 0.00 -3.37 -0.35 0.00 -0.01 0.00 0.00 54.79 51.06 1jh5 n ASP 81 Cb 0.00 -0.79 -0.01 0.00 -1.03 0.00 0.00 41.12 39.29 1jh5 n ASP 81 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1jh5 s GLU 82 N -2.82 3.51 -0.13 0.11 2.02 -0.96 -5.00 118.70 115.44 1jh5 s GLU 82 Ca 0.49 1.50 -0.16 0.00 0.02 0.00 0.00 54.97 56.82 1jh5 s GLU 82 Cb 0.41 -2.04 -0.04 0.00 0.10 0.00 0.00 34.13 32.56 1jh5 s GLU 82 CO 0.09 -0.70 0.41 -0.51 0.02 0.00 0.00 175.26 174.57 1jh5 s LEU 83 N -3.72 4.28 0.00 1.80 1.02 -1.26 -4.93 118.68 115.86 1jh5 s LEU 83 Ca 0.70 0.71 0.27 0.00 0.02 0.00 0.00 54.13 55.84 1jh5 s LEU 83 Cb -0.21 -2.57 1.48 0.00 0.02 0.00 0.00 46.19 44.91 1jh5 s LEU 83 CO 0.25 0.06 1.95 -1.54 0.02 0.00 0.00 176.35 177.08 1jh5 n SER 84 N 3.52 0.00 -4.09 2.29 3.41 -1.26 -4.51 113.62 112.98 1jh5 n SER 84 Ca -0.09 -0.40 -0.33 0.00 -0.26 0.00 0.00 58.87 57.78 1jh5 n SER 84 Cb 0.52 -0.17 -0.14 0.00 -0.26 0.00 0.00 64.21 64.15 1jh5 n SER 84 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1jh5 s LEU 85 N -2.34 4.01 -0.08 1.04 1.98 -1.26 -0.22 118.68 121.80 1jh5 s LEU 85 Ca 0.32 -1.59 -0.00 0.00 -2.89 0.00 0.00 54.13 49.96 1jh5 s LEU 85 Cb 0.18 -1.63 -0.03 0.00 0.66 0.00 0.00 46.19 45.37 1jh5 s LEU 85 CO 0.37 -0.28 -0.05 -0.69 -1.89 0.00 0.00 176.35 173.81 1jh5 s VAL 86 N 1.10 3.86 -0.27 1.68 1.01 -0.08 -4.95 120.40 122.74 1jh5 s VAL 86 Ca -0.02 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 1jh5 s VAL 86 Cb -0.20 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 1jh5 s VAL 86 CO -0.05 0.59 0.07 0.42 0.00 0.00 0.00 175.10 176.13 1jh5 s THR 87 N -0.67 4.15 0.02 3.92 -4.23 -1.26 0.45 115.64 118.03 1jh5 s THR 87 Ca 0.10 -0.40 -0.05 0.00 -1.18 0.00 0.00 61.69 60.16 1jh5 s THR 87 Cb -0.11 -3.02 -0.05 0.00 1.34 0.00 0.00 72.50 70.65 1jh5 s THR 87 CO 0.02 0.23 0.27 -0.76 -0.54 0.00 0.00 174.62 173.83 1jh5 s LEU 88 N 1.57 4.36 0.00 4.79 1.02 0.07 -4.92 118.68 125.56 1jh5 s LEU 88 Ca 0.05 0.52 0.00 0.00 0.02 0.00 0.00 54.13 54.72 1jh5 s LEU 88 Cb -0.16 -2.76 0.00 0.00 0.02 0.00 0.00 46.19 43.29 1jh5 s LEU 88 CO 0.03 0.23 0.00 0.49 0.02 0.00 0.00 176.35 177.12 1jh5 n PHE 89 N 0.93 0.00 -1.25 0.29 0.99 -1.26 -3.37 117.46 113.79 1jh5 n PHE 89 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.35 1jh5 n PHE 89 Cb 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.01 1jh5 n PHE 89 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 1jh5 n ARG 90 N 0.00 -3.43 -4.37 -1.08 0.63 -1.26 -4.93 116.66 102.22 1jh5 n ARG 90 Ca 0.00 2.49 -0.19 0.00 -0.92 0.00 0.00 57.85 59.23 1jh5 n ARG 90 Cb 0.00 -2.71 -0.10 0.00 0.45 0.00 0.00 32.46 30.09 1jh5 n ARG 90 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1jh5 s ILE 92 N -3.34 0.20 -0.20 0.00 1.01 -1.26 -2.65 121.20 114.96 1jh5 s ILE 92 Ca 0.31 -1.36 -0.07 0.00 0.00 0.00 0.00 60.65 59.52 1jh5 s ILE 92 Cb 0.06 -0.90 0.09 0.00 0.01 0.00 0.00 42.46 41.72 1jh5 s ILE 92 CO 0.11 -0.73 0.43 -1.10 0.00 0.00 0.00 174.94 173.64 1jh5 s GLN 93 N -2.66 0.34 0.51 2.79 -1.52 0.11 -4.96 119.66 114.27 1jh5 s GLN 93 Ca -0.04 1.04 -0.23 0.00 -1.95 0.00 0.00 55.36 54.18 1jh5 s GLN 93 Cb -0.01 0.33 -0.06 0.00 -0.22 0.00 0.00 33.01 33.05 1jh5 s GLN 93 CO -0.05 -0.24 1.35 -0.80 -0.25 0.00 0.00 175.29 175.30 1jh5 s ASN 94 N 2.54 5.51 0.13 5.90 0.01 -1.26 -0.94 114.94 126.83 1jh5 s ASN 94 Ca -0.02 2.75 0.08 0.00 -0.71 0.00 0.00 52.86 54.95 1jh5 s ASN 94 Cb -0.12 -2.64 -0.04 0.00 0.41 0.00 0.00 41.25 38.87 1jh5 s ASN 94 CO -0.13 -1.40 -0.12 -0.04 -1.51 0.00 0.00 177.10 173.90 1jh5 s MET 95 N -2.77 2.01 0.00 -0.60 -1.94 -0.35 -4.84 119.30 110.80 1jh5 s MET 95 Ca 0.68 -1.15 0.00 0.00 -1.71 0.00 0.00 55.69 53.51 1jh5 s MET 95 Cb -0.40 -2.20 0.00 0.00 2.01 0.00 0.00 34.83 34.24 1jh5 s MET 95 CO 0.48 0.48 0.00 -2.30 -0.01 0.00 0.00 175.02 173.67 1jh5 n PRO 96 N 0.50 0.03 -0.01 2.03 -0.02 -1.26 -4.27 135.00 132.00 1jh5 n PRO 96 Ca -0.13 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.36 1jh5 n PRO 96 Cb 0.53 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.97 1jh5 n PRO 96 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1jh5 n GLU 97 N -0.93 0.88 0.00 -0.52 2.13 -1.26 -4.54 120.64 116.39 1jh5 n GLU 97 Ca 0.00 -0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.78 1jh5 n GLU 97 Cb 0.00 -1.12 0.00 0.00 0.27 0.00 0.00 31.44 30.59 1jh5 n GLU 97 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1jh5 n THR 98 N -1.80 0.00 -3.45 6.31 -2.24 -1.26 -4.85 114.28 107.00 1jh5 n THR 98 Ca -0.03 0.40 -0.30 0.00 -2.27 0.00 0.00 64.05 61.86 1jh5 n THR 98 Cb 0.26 -1.34 -0.07 0.00 -2.10 0.00 0.00 70.33 67.08 1jh5 n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jh5 n LEU 99 N -2.11 4.04 -4.68 3.22 4.77 -1.26 -5.06 117.00 115.92 1jh5 n LEU 99 Ca 0.00 -5.37 -0.59 0.00 -0.03 0.00 0.00 56.01 50.02 1jh5 n LEU 99 Cb 0.00 -0.79 -0.08 0.00 -2.33 0.00 0.00 43.42 40.23 1jh5 n LEU 99 CO 0.00 1.94 1.15 -2.65 -1.33 0.00 0.00 177.39 176.50 1jh5 n PRO 100 N 1.14 0.76 -2.82 3.23 -0.02 -1.26 -4.92 135.00 131.12 1jh5 n PRO 100 Ca 0.28 0.28 -0.03 0.00 -2.02 0.00 0.00 63.50 62.01 1jh5 n PRO 100 Cb 0.39 -1.89 0.01 0.00 -0.02 0.00 0.00 33.50 31.99 1jh5 n PRO 100 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1jh5 s ASN 101 N 2.62 -1.11 -0.07 2.55 0.01 -1.16 -4.42 114.94 113.36 1jh5 s ASN 101 Ca 0.97 -1.13 -0.02 0.00 -0.71 0.00 0.00 52.86 51.97 1jh5 s ASN 101 Cb -1.18 1.45 -0.03 0.00 0.41 0.00 0.00 41.25 41.90 1jh5 s ASN 101 CO 0.66 -0.06 -0.08 0.59 -1.51 0.00 0.00 177.10 176.70 1jh5 n ASN 102 N 3.17 1.35 -1.95 -1.22 3.02 -0.64 -4.97 115.26 114.02 1jh5 n ASN 102 Ca 0.14 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 1jh5 n ASN 102 Cb 0.59 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1jh5 n ASN 102 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1jh5 n SER 103 N -3.12 -9.76 -3.71 6.41 2.88 -1.22 -4.81 113.62 100.29 1jh5 n SER 103 Ca -0.12 1.41 -0.12 0.00 -1.33 0.00 0.00 58.87 58.70 1jh5 n SER 103 Cb 0.60 -5.31 -0.13 0.00 -0.75 0.00 0.00 64.21 58.62 1jh5 n SER 103 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jh5 s TYR 105 N 1.59 3.10 -0.17 0.00 5.04 -1.26 -2.64 117.35 123.02 1jh5 s TYR 105 Ca -0.06 0.07 -0.28 0.00 -2.44 0.00 0.00 57.07 54.35 1jh5 s TYR 105 Cb -0.11 -1.63 0.07 0.00 0.35 0.00 0.00 41.96 40.64 1jh5 s TYR 105 CO -0.09 0.49 0.70 0.45 -1.34 0.00 0.00 175.55 175.76 1jh5 s SER 106 N -1.93 -0.70 0.19 4.32 0.15 -0.95 -5.01 113.70 109.76 1jh5 s SER 106 Ca 0.23 1.10 -0.17 0.00 0.70 0.00 0.00 55.95 57.81 1jh5 s SER 106 Cb -0.12 1.03 0.03 0.00 -1.71 0.00 0.00 66.02 65.25 1jh5 s SER 106 CO 0.15 -0.42 0.51 0.00 1.20 0.00 0.00 173.24 174.69 1jh5 s ALA 107 N -0.36 -0.94 0.12 5.45 0.00 -1.26 -2.09 121.76 122.68 1jh5 s ALA 107 Ca -0.05 -0.20 -0.24 0.00 0.00 0.00 0.00 51.96 51.46 1jh5 s ALA 107 Cb -0.03 0.84 0.08 0.00 0.00 0.00 0.00 23.12 24.02 1jh5 s ALA 107 CO 0.05 -0.79 1.12 0.20 0.00 0.00 0.00 175.76 176.34 1jh5 s GLY 108 N -2.87 0.03 -0.03 0.00 0.00 -0.23 -4.99 107.32 99.24 1jh5 s GLY 108 Ca 0.09 -0.21 0.03 0.00 0.00 0.00 0.00 44.72 44.63 1jh5 s GLY 108 CO -0.04 3.47 -0.10 -0.42 0.00 0.00 0.00 173.10 176.02 1jh5 s ILE 109 N -2.12 3.45 0.05 0.90 1.01 -1.26 -0.13 121.20 123.11 1jh5 s ILE 109 Ca 0.24 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 60.06 1jh5 s ILE 109 Cb -0.02 -2.43 0.02 0.00 0.01 0.00 0.00 42.46 40.04 1jh5 s ILE 109 CO 0.03 0.50 0.29 0.00 0.00 0.00 0.00 174.94 175.77 1jh5 s ALA 110 N -0.87 -0.64 -0.15 9.38 0.00 -0.45 -4.99 121.76 124.05 1jh5 s ALA 110 Ca 0.14 -0.07 -0.13 0.00 0.00 0.00 0.00 51.96 51.90 1jh5 s ALA 110 Cb -0.11 0.35 -0.05 0.00 0.00 0.00 0.00 23.12 23.32 1jh5 s ALA 110 CO 0.04 -0.43 0.27 0.21 0.00 0.00 0.00 175.76 175.84 1jh5 s LYS 111 N -2.74 4.14 0.22 0.00 2.20 -1.26 -1.18 119.74 121.12 1jh5 s LYS 111 Ca -0.04 0.06 0.06 0.00 -0.36 0.00 0.00 55.97 55.70 1jh5 s LYS 111 Cb -0.00 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.88 1jh5 s LYS 111 CO -0.05 0.34 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.68 1jh5 s LEU 112 N 0.18 2.47 0.16 5.43 1.43 -0.18 -4.99 118.68 123.18 1jh5 s LEU 112 Ca 0.16 -1.11 0.07 0.00 -1.03 0.00 0.00 54.13 52.22 1jh5 s LEU 112 Cb -0.13 -0.55 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 1jh5 s LEU 112 CO 0.04 -0.30 -0.14 -1.61 0.23 0.00 0.00 176.35 174.57 1jh5 s GLU 113 N -3.72 1.18 -0.12 1.70 2.02 -1.26 -0.83 118.70 117.67 1jh5 s GLU 113 Ca 0.25 -1.45 -0.40 0.00 0.02 0.00 0.00 54.97 53.39 1jh5 s GLU 113 Cb 0.02 -0.97 -0.18 0.00 0.10 0.00 0.00 34.13 33.11 1jh5 s GLU 113 CO 0.08 0.16 1.40 0.39 0.02 0.00 0.00 175.26 177.32 1jh5 n GLU 114 N -0.03 0.64 0.00 1.61 1.02 -1.26 -0.45 120.64 122.18 1jh5 n GLU 114 Ca -0.11 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1jh5 n GLU 114 Cb 0.59 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1jh5 n GLU 114 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jh5 n GLY 115 N 2.88 3.01 3.76 0.62 0.00 0.62 -4.84 105.19 111.23 1jh5 n GLY 115 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 1jh5 n GLY 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jh5 s ASP 116 N -1.15 5.00 0.00 1.61 1.01 0.41 -4.61 116.67 118.93 1jh5 s ASP 116 Ca 0.00 2.17 0.05 0.00 0.71 0.00 0.00 52.55 55.48 1jh5 s ASP 116 Cb 0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 1jh5 s ASP 116 CO 0.00 -1.71 -0.17 -1.61 0.21 0.00 0.00 175.17 171.89 1jh5 s GLU 117 N -3.81 1.30 0.03 8.23 2.02 -1.14 -0.94 118.70 124.39 1jh5 s GLU 117 Ca 0.71 -0.66 0.04 0.00 0.02 0.00 0.00 54.97 55.07 1jh5 s GLU 117 Cb -0.24 -1.29 -0.04 0.00 0.10 0.00 0.00 34.13 32.66 1jh5 s GLU 117 CO 0.39 0.35 -0.05 -0.51 0.02 0.00 0.00 175.26 175.45 1jh5 s LEU 118 N -0.60 3.25 0.04 1.80 1.43 0.58 -1.10 118.68 124.08 1jh5 s LEU 118 Ca 0.06 -0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 52.84 1jh5 s LEU 118 Cb -0.07 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.26 1jh5 s LEU 118 CO -0.00 0.25 0.35 0.00 0.23 0.00 0.00 176.35 177.17 1jh5 s GLN 119 N -1.71 0.84 -0.22 1.70 -2.07 -0.67 -1.11 119.66 116.41 1jh5 s GLN 119 Ca 0.20 -0.41 -0.05 0.00 -1.82 0.00 0.00 55.36 53.27 1jh5 s GLN 119 Cb -0.11 0.37 -0.02 0.00 -1.09 0.00 0.00 33.01 32.16 1jh5 s GLN 119 CO 0.11 -0.27 -0.01 -1.17 -1.32 0.00 0.00 175.29 172.62 1jh5 s LEU 120 N -1.96 3.08 -0.00 2.60 1.98 -1.26 -0.49 118.68 122.63 1jh5 s LEU 120 Ca -0.06 -0.32 0.05 0.00 -2.89 0.00 0.00 54.13 50.91 1jh5 s LEU 120 Cb -0.01 -1.79 -0.01 0.00 0.66 0.00 0.00 46.19 45.03 1jh5 s LEU 120 CO -0.02 -0.01 -0.16 0.00 -1.89 0.00 0.00 176.35 174.28 1jh5 s ALA 121 N 1.41 1.31 -0.26 5.97 0.00 0.28 -4.48 121.76 125.99 1jh5 s ALA 121 Ca 0.05 -0.71 -0.06 0.00 0.00 0.00 0.00 51.96 51.23 1jh5 s ALA 121 Cb -0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1jh5 s ALA 121 CO -0.01 0.31 0.05 0.42 0.00 0.00 0.00 175.76 176.54 1jh5 s ILE 122 N -0.44 4.01 -0.42 0.00 1.01 -0.43 0.13 121.20 125.05 1jh5 s ILE 122 Ca 0.06 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 1jh5 s ILE 122 Cb -0.06 -2.93 -0.11 0.00 0.01 0.00 0.00 42.46 39.37 1jh5 s ILE 122 CO -0.00 0.27 2.22 -2.65 0.00 0.00 0.00 174.94 174.77 1jh5 n PRO 123 N 4.88 1.58 -3.80 2.79 -0.02 -1.26 -0.30 135.00 138.87 1jh5 n PRO 123 Ca -0.16 -0.98 -0.10 0.00 -2.02 0.00 0.00 63.50 60.24 1jh5 n PRO 123 Cb 0.50 -2.09 -0.07 0.00 -0.02 0.00 0.00 33.50 31.82 1jh5 n PRO 123 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jh5 s ARG 124 N 2.54 0.80 -0.04 -0.52 0.52 -1.24 -4.98 118.95 116.03 1jh5 s ARG 124 Ca 0.39 -0.67 -0.26 0.00 -0.52 0.00 0.00 55.73 54.67 1jh5 s ARG 124 Cb 0.15 0.34 -0.21 0.00 0.52 0.00 0.00 34.95 35.75 1jh5 s ARG 124 CO -0.02 -0.25 1.15 0.93 0.02 0.00 0.00 175.30 177.13 1jh5 h GLU 125 N 3.12 -0.04 -2.03 3.54 5.08 -1.86 -1.09 114.58 121.30 1jh5 h GLU 125 Ca -0.33 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.52 1jh5 h GLU 125 Cb 1.20 0.01 -0.40 0.00 0.50 0.00 0.00 28.75 30.06 1jh5 h GLU 125 CO 0.49 0.52 -1.10 0.09 -1.00 0.00 0.00 179.01 178.01 1jh5 n ASN 126 N -4.83 1.00 -4.58 1.42 4.13 -1.26 -4.52 115.26 106.61 1jh5 n ASN 126 Ca -0.09 -2.97 -0.52 0.00 1.68 0.00 0.00 54.58 52.69 1jh5 n ASN 126 Cb 0.29 -0.62 -0.05 0.00 -1.54 0.00 0.00 39.78 37.85 1jh5 n ASN 126 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jh5 n ALA 127 N 0.64 -1.13 -2.72 5.41 0.00 -1.26 -4.87 120.51 116.57 1jh5 n ALA 127 Ca 0.24 0.51 -0.42 0.00 0.00 0.00 0.00 53.44 53.77 1jh5 n ALA 127 Cb 0.59 -2.03 -0.03 0.00 0.00 0.00 0.00 19.45 17.97 1jh5 n ALA 127 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1jh5 s GLN 128 N 0.18 3.15 0.26 0.00 -1.52 -1.26 -4.99 119.66 115.48 1jh5 s GLN 128 Ca 0.81 -0.56 0.11 0.00 -1.95 0.00 0.00 55.36 53.78 1jh5 s GLN 128 Cb -0.95 -4.20 -0.05 0.00 -0.22 0.00 0.00 33.01 27.59 1jh5 s GLN 128 CO 0.49 -1.95 -0.20 0.42 -0.25 0.00 0.00 175.29 173.81 1jh5 s ILE 129 N 4.77 2.37 -0.22 1.08 1.09 -1.26 -0.58 121.20 128.45 1jh5 s ILE 129 Ca 0.28 -2.32 -0.09 0.00 -1.10 0.00 0.00 60.65 57.42 1jh5 s ILE 129 Cb -0.13 -2.24 -0.05 0.00 -1.06 0.00 0.00 42.46 38.99 1jh5 s ILE 129 CO 0.13 -0.37 0.12 -0.55 -0.10 0.00 0.00 174.94 174.16 1jh5 s SER 130 N -3.34 5.89 -0.46 3.58 0.15 -0.76 -4.86 113.70 113.90 1jh5 s SER 130 Ca 0.27 0.08 0.02 0.00 0.70 0.00 0.00 55.95 57.03 1jh5 s SER 130 Cb -0.05 -2.04 0.53 0.00 -1.71 0.00 0.00 66.02 62.74 1jh5 s SER 130 CO 0.13 0.10 1.88 0.18 1.20 0.00 0.00 173.24 176.73 1jh5 n LEU 131 N 4.05 6.67 -4.80 3.45 4.32 -1.26 -4.53 117.00 124.91 1jh5 n LEU 131 Ca -0.16 -3.59 -0.38 0.00 -0.02 0.00 0.00 56.01 51.87 1jh5 n LEU 131 Cb 0.52 -0.86 -0.06 0.00 -1.62 0.00 0.00 43.42 41.40 1jh5 n LEU 131 CO 0.35 1.13 0.43 -1.81 -1.22 0.00 0.00 177.39 176.27 1jh5 s ASP 132 N -1.14 7.19 0.49 -1.43 -0.00 -1.26 -2.94 116.67 117.57 1jh5 s ASP 132 Ca 0.52 1.50 0.23 0.00 -0.00 0.00 0.00 52.55 54.80 1jh5 s ASP 132 Cb 0.43 -2.45 1.27 0.00 -0.00 0.00 0.00 42.92 42.18 1jh5 s ASP 132 CO 0.06 0.12 1.94 1.23 -0.00 0.00 0.00 175.17 178.52 1jh5 h GLY 133 N 3.86 0.31 0.41 0.21 0.00 -1.84 -2.40 103.07 103.62 1jh5 h GLY 133 Ca -0.48 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 1jh5 h GLY 133 CO 0.65 0.02 -0.16 -0.55 0.00 0.00 0.00 176.54 176.50 1jh5 h ASP 134 N 0.17 -0.37 -0.33 0.19 3.32 -1.96 -3.39 116.42 114.05 1jh5 h ASP 134 Ca 0.34 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.18 1jh5 h ASP 134 Cb 1.09 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 1jh5 h ASP 134 CO -0.06 0.09 -0.17 -0.37 -1.72 0.00 0.00 179.24 177.02 1jh5 h VAL 135 N -1.04 1.26 -3.16 -1.35 -1.51 -1.89 -3.43 116.25 105.13 1jh5 h VAL 135 Ca -0.04 -1.26 -0.58 0.00 -1.23 0.00 0.00 66.70 63.59 1jh5 h VAL 135 Cb 0.45 1.12 -0.36 0.00 -2.13 0.00 0.00 31.29 30.38 1jh5 h VAL 135 CO 0.07 0.43 -0.83 0.42 -1.23 0.00 0.00 177.57 176.43 1jh5 s THR 136 N -4.70 1.42 0.16 7.19 -4.23 -0.92 -3.71 115.64 110.84 1jh5 s THR 136 Ca -0.09 -0.55 -0.07 0.00 -1.18 0.00 0.00 61.69 59.80 1jh5 s THR 136 Cb 0.13 -1.35 -0.02 0.00 1.34 0.00 0.00 72.50 72.61 1jh5 s THR 136 CO 0.83 0.43 0.23 0.72 -0.54 0.00 0.00 174.62 176.29 1jh5 s PHE 137 N 1.45 0.52 -0.06 3.99 -0.12 -0.25 -2.34 117.98 121.16 1jh5 s PHE 137 Ca 0.03 -0.88 0.03 0.00 -0.05 0.00 0.00 56.93 56.06 1jh5 s PHE 137 Cb -0.13 -0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.11 1jh5 s PHE 137 CO -0.09 -0.67 -0.14 0.12 -0.05 0.00 0.00 175.22 174.39 1jh5 s PHE 138 N -3.99 1.61 0.00 3.49 5.36 -0.69 -1.43 117.98 122.33 1jh5 s PHE 138 Ca 0.19 -0.58 0.00 0.00 -0.96 0.00 0.00 56.93 55.58 1jh5 s PHE 138 Cb 0.04 -1.14 0.00 0.00 -0.34 0.00 0.00 43.02 41.58 1jh5 s PHE 138 CO 0.01 -0.27 0.00 0.41 -1.46 0.00 0.00 175.22 173.91 1jh5 n GLY 139 N 3.63 -0.74 0.56 13.12 0.00 0.39 -1.65 105.19 120.50 1jh5 n GLY 139 Ca -0.21 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1jh5 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jh5 n ALA 140 N -3.00 -1.37 -3.35 4.61 0.00 -1.20 -4.41 120.51 111.79 1jh5 n ALA 140 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1jh5 n ALA 140 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1jh5 n ALA 140 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1jh5 s LEU 141 N 0.00 1.45 -0.10 0.00 0.20 0.26 -1.99 118.68 118.51 1jh5 s LEU 141 Ca 0.00 0.06 -0.23 0.00 0.69 0.00 0.00 54.13 54.65 1jh5 s LEU 141 Cb 0.00 0.02 -0.03 0.00 -0.43 0.00 0.00 46.19 45.75 1jh5 s LEU 141 CO 0.00 -0.07 0.69 -0.75 -0.29 0.00 0.00 176.35 175.92 1jh5 s LYS 142 N 0.58 4.39 0.50 1.98 2.20 0.30 -0.34 119.74 129.34 1jh5 s LYS 142 Ca -0.05 0.83 -0.14 0.00 -0.36 0.00 0.00 55.97 56.25 1jh5 s LYS 142 Cb -0.07 -3.48 -0.07 0.00 -1.51 0.00 0.00 37.83 32.71 1jh5 s LYS 142 CO -0.02 -0.00 0.92 -0.51 -0.36 0.00 0.00 175.35 175.38 1jh5 s LEU 143 N 1.06 3.63 0.00 5.43 1.43 -0.00 -4.38 118.68 125.85 1jh5 s LEU 143 Ca 0.36 1.41 0.29 0.00 -1.03 0.00 0.00 54.13 55.16 1jh5 s LEU 143 Cb -0.17 -4.35 1.31 0.00 0.03 0.00 0.00 46.19 43.01 1jh5 s LEU 143 CO 0.16 -0.57 1.89 0.18 0.23 0.00 0.00 176.35 178.24