#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hm0 s ALA 14 N 0.00 2.80 -0.19 5.20 0.00 -1.26 -5.03 121.76 123.28 3hm0 s ALA 14 Ca 0.00 0.06 -0.27 0.00 0.00 0.00 0.00 51.96 51.75 3hm0 s ALA 14 Cb 0.00 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 3hm0 s ALA 14 CO 0.00 -1.05 0.91 -0.06 0.00 0.00 0.00 175.76 175.56 3hm0 s PHE 15 N -3.04 3.40 0.24 0.00 0.08 -1.26 -4.72 117.98 112.67 3hm0 s PHE 15 Ca 0.58 1.34 -0.30 0.00 0.12 0.00 0.00 56.93 58.67 3hm0 s PHE 15 Cb -0.13 -3.11 -0.09 0.00 -0.57 0.00 0.00 43.02 39.12 3hm0 s PHE 15 CO 0.53 -0.32 1.15 -1.01 -0.10 0.00 0.00 175.22 175.47 3hm0 s HIS 16 N 2.50 3.48 -0.15 0.36 3.76 0.31 -4.81 115.29 120.75 3hm0 s HIS 16 Ca 0.41 1.57 -0.05 0.00 -0.15 0.00 0.00 55.06 56.84 3hm0 s HIS 16 Cb -0.16 -3.37 -0.03 0.00 1.11 0.00 0.00 32.58 30.13 3hm0 s HIS 16 CO 0.11 -0.90 0.00 -0.51 -0.85 0.00 0.00 174.74 172.60 3hm0 s ASP 17 N -0.40 5.17 -0.02 1.40 1.11 -1.26 -1.97 116.67 120.71 3hm0 s ASP 17 Ca 0.48 -0.00 -0.01 0.00 0.18 0.00 0.00 52.55 53.21 3hm0 s ASP 17 Cb -0.33 -1.79 0.01 0.00 1.07 0.00 0.00 42.92 41.89 3hm0 s ASP 17 CO 0.40 0.21 0.03 0.12 1.18 0.00 0.00 175.17 177.11 3hm0 s PHE 18 N 0.11 -0.01 -0.01 4.23 5.36 -0.62 -4.97 117.98 122.07 3hm0 s PHE 18 Ca 0.02 0.11 -0.00 0.00 -0.96 0.00 0.00 56.93 56.10 3hm0 s PHE 18 Cb -0.13 -0.09 -0.04 0.00 -0.34 0.00 0.00 43.02 42.42 3hm0 s PHE 18 CO 0.02 -0.05 0.06 -0.65 -1.46 0.00 0.00 175.22 173.14 3hm0 s GLN 19 N 0.48 3.00 -0.02 10.12 -0.21 -1.26 0.46 119.66 132.24 3hm0 s GLN 19 Ca -0.04 -0.51 -0.08 0.00 0.02 0.00 0.00 55.36 54.76 3hm0 s GLN 19 Cb -0.06 -2.82 0.01 0.00 1.00 0.00 0.00 33.01 31.14 3hm0 s GLN 19 CO -0.01 0.65 0.16 0.00 -2.12 0.00 0.00 175.29 173.96 3hm0 s ALA 20 N -1.16 -0.39 0.28 6.09 0.00 -0.58 -4.97 121.76 121.03 3hm0 s ALA 20 Ca 0.22 0.06 -0.08 0.00 0.00 0.00 0.00 51.96 52.15 3hm0 s ALA 20 Cb -0.12 0.01 -0.06 0.00 0.00 0.00 0.00 23.12 22.95 3hm0 s ALA 20 CO 0.12 -0.18 0.58 0.50 0.00 0.00 0.00 175.76 176.79 3hm0 s ARG 21 N -1.02 3.74 -0.21 0.00 6.06 -1.26 0.30 118.95 126.55 3hm0 s ARG 21 Ca -0.11 0.21 -0.12 0.00 -2.50 0.00 0.00 55.73 53.21 3hm0 s ARG 21 Cb -0.06 -2.61 -0.05 0.00 0.06 0.00 0.00 34.95 32.30 3hm0 s ARG 21 CO 0.01 0.23 0.23 0.08 -2.50 0.00 0.00 175.30 173.35 3hm0 s VAL 22 N -1.99 5.32 0.50 7.11 1.01 -0.52 -4.94 120.40 126.88 3hm0 s VAL 22 Ca 0.47 0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.85 3hm0 s VAL 22 Cb -0.11 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 3hm0 s VAL 22 CO 0.26 0.34 0.24 -0.31 0.00 0.00 0.00 175.10 175.63 3hm0 s TYR 23 N 0.94 1.99 0.31 5.22 2.02 -1.26 -0.68 117.35 125.89 3hm0 s TYR 23 Ca 0.11 -0.79 0.03 0.00 -0.37 0.00 0.00 57.07 56.06 3hm0 s TYR 23 Cb -0.13 -1.86 0.60 0.00 -0.40 0.00 0.00 41.96 40.16 3hm0 s TYR 23 CO 0.04 -0.11 1.87 0.28 -1.57 0.00 0.00 175.55 176.06 3hm0 h VAL 24 N 1.09 0.96 -0.63 0.71 2.07 -1.98 -0.82 116.25 117.66 3hm0 h VAL 24 Ca -0.40 -0.32 0.17 0.00 0.82 0.00 0.00 66.70 66.96 3hm0 h VAL 24 Cb 1.29 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3hm0 h VAL 24 CO 0.65 0.17 0.44 0.00 0.02 0.00 0.00 177.57 178.85 3hm0 h ALA 25 N 1.54 2.47 0.00 1.67 0.00 -2.02 -1.88 119.26 121.05 3hm0 h ALA 25 Ca 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3hm0 h ALA 25 Cb 0.43 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hm0 h ALA 25 CO -0.21 -0.65 -0.12 -0.25 0.00 0.00 0.00 179.25 178.02 3hm0 n ASP 26 N -4.38 0.35 -4.98 0.00 8.00 -0.31 -4.91 116.55 110.31 3hm0 n ASP 26 Ca 0.12 0.39 -0.20 0.00 0.71 0.00 0.00 54.79 55.81 3hm0 n ASP 26 Cb 0.64 -0.42 -0.01 0.00 -0.02 0.00 0.00 41.12 41.31 3hm0 n ASP 26 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3hm0 s THR 27 N -3.04 4.62 0.48 -3.53 -4.23 -0.71 -0.02 115.64 109.22 3hm0 s THR 27 Ca 0.12 -0.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 3hm0 s THR 27 Cb 0.17 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.37 3hm0 s THR 27 CO 0.59 -0.26 0.05 -0.90 -0.54 0.00 0.00 174.62 173.56 3hm0 n ASP 28 N -1.57 2.69 0.12 3.99 5.68 0.08 -4.53 116.55 123.02 3hm0 n ASP 28 Ca -0.04 -3.25 0.09 0.00 -0.50 0.00 0.00 54.79 51.09 3hm0 n ASP 28 Cb 0.58 0.60 0.46 0.00 -1.14 0.00 0.00 41.12 41.61 3hm0 n ASP 28 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 3hm0 n PHE 29 N -1.17 0.58 1.77 2.11 -0.00 -1.26 -1.48 117.46 118.01 3hm0 n PHE 29 Ca -0.16 0.29 0.15 0.00 -0.00 0.00 0.00 57.45 57.73 3hm0 n PHE 29 Cb 0.64 -0.97 0.73 0.00 -0.00 0.00 0.00 39.48 39.89 3hm0 n PHE 29 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3hm0 n SER 30 N -2.09 0.65 0.00 5.98 3.41 -1.26 -4.90 113.62 115.41 3hm0 n SER 30 Ca -0.01 -1.25 0.00 0.00 -0.26 0.00 0.00 58.87 57.35 3hm0 n SER 30 Cb 0.05 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3hm0 n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hm0 n GLY 31 N 1.06 0.30 1.78 5.00 0.00 -0.55 -5.05 105.19 107.73 3hm0 n GLY 31 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 3hm0 n GLY 31 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hm0 n VAL 32 N -1.87 0.00 -1.91 1.61 0.24 -1.26 -4.57 118.33 110.58 3hm0 n VAL 32 Ca 0.00 -1.34 -0.42 0.00 -2.04 0.00 0.00 64.34 60.54 3hm0 n VAL 32 Cb 0.00 0.64 -0.03 0.00 -1.47 0.00 0.00 33.84 32.98 3hm0 n VAL 32 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3hm0 s VAL 33 N -2.70 2.60 0.54 3.34 1.01 -0.82 -0.74 120.40 123.64 3hm0 s VAL 33 Ca 0.21 0.40 -0.22 0.00 0.00 0.00 0.00 61.98 62.37 3hm0 s VAL 33 Cb 0.01 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 3hm0 s VAL 33 CO 0.15 0.03 1.33 -0.47 0.00 0.00 0.00 175.10 176.14 3hm0 s TYR 34 N 1.32 2.34 0.24 5.22 5.04 0.97 -4.76 117.35 127.73 3hm0 s TYR 34 Ca 0.71 1.40 -0.05 0.00 -2.44 0.00 0.00 57.07 56.69 3hm0 s TYR 34 Cb -0.44 -3.75 0.25 0.00 0.35 0.00 0.00 41.96 38.37 3hm0 s TYR 34 CO 0.31 -2.74 1.76 1.12 -1.34 0.00 0.00 175.55 174.67 3hm0 h HIS 35 N 1.49 1.03 0.00 4.97 2.07 -1.92 -2.18 115.15 120.62 3hm0 h HIS 35 Ca -0.51 -0.11 -0.01 0.00 -2.85 0.00 0.00 60.37 56.89 3hm0 h HIS 35 Cb 1.30 -0.30 -0.00 0.00 2.57 0.00 0.00 27.41 30.98 3hm0 h HIS 35 CO 0.47 0.86 -0.06 0.00 -3.07 0.00 0.00 177.93 176.12 3hm0 h ALA 36 N 1.21 1.01 0.00 6.11 0.00 -1.96 -3.03 119.26 122.60 3hm0 h ALA 36 Ca 0.20 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3hm0 h ALA 36 Cb 0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3hm0 h ALA 36 CO 0.00 0.08 -0.44 0.00 0.00 0.00 0.00 179.25 178.89 3hm0 h ARG 37 N 0.00 0.00 -0.68 0.00 2.47 -1.71 -2.46 114.38 112.00 3hm0 h ARG 37 Ca -0.00 0.00 0.12 0.00 -1.26 0.00 0.00 59.98 58.84 3hm0 h ARG 37 Cb 0.58 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.86 3hm0 h ARG 37 CO 0.01 0.44 0.46 1.88 0.56 0.00 0.00 179.97 183.31 3hm0 h TYR 38 N 0.00 0.50 0.00 3.04 0.05 -1.60 0.10 116.97 119.07 3hm0 h TYR 38 Ca -0.00 0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.73 3hm0 h TYR 38 Cb 0.83 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.40 3hm0 h TYR 38 CO 0.00 0.22 -0.30 -0.07 -1.05 0.00 0.00 178.16 176.96 3hm0 h LEU 39 N 0.46 0.00 -0.33 3.88 4.07 -1.60 -0.35 115.31 121.44 3hm0 h LEU 39 Ca 0.32 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.19 3hm0 h LEU 39 Cb 0.64 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.38 3hm0 h LEU 39 CO -0.10 0.30 -0.15 -0.33 -1.08 0.00 0.00 178.44 177.08 3hm0 h GLU 40 N 0.00 0.68 -0.56 1.13 5.08 -0.86 -1.66 114.58 118.39 3hm0 h GLU 40 Ca -0.00 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 3hm0 h GLU 40 Cb 0.60 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 3hm0 h GLU 40 CO 0.04 0.88 0.25 0.74 -1.00 0.00 0.00 179.01 179.93 3hm0 h PHE 41 N 0.45 0.83 -0.89 4.33 0.04 -1.02 -1.56 116.94 119.11 3hm0 h PHE 41 Ca 0.07 -0.05 0.02 0.00 2.80 0.00 0.00 57.97 60.81 3hm0 h PHE 41 Cb 0.68 -0.25 -0.05 0.00 2.20 0.00 0.00 35.95 38.53 3hm0 h PHE 41 CO 0.06 0.65 0.58 0.74 -0.60 0.00 0.00 178.31 179.74 3hm0 h PHE 42 N 0.76 1.10 -0.76 -0.55 0.04 -1.05 -2.04 116.94 114.45 3hm0 h PHE 42 Ca 0.19 0.03 0.04 0.00 2.80 0.00 0.00 57.97 61.02 3hm0 h PHE 42 Cb 0.15 -0.37 -0.05 0.00 2.20 0.00 0.00 35.95 37.88 3hm0 h PHE 42 CO 0.00 0.68 0.48 1.49 -0.60 0.00 0.00 178.31 180.36 3hm0 h GLU 43 N 1.17 0.90 -0.78 1.51 4.81 -0.92 -1.98 114.58 119.28 3hm0 h GLU 43 Ca 0.33 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.59 3hm0 h GLU 43 Cb -0.09 -0.20 -0.07 0.00 0.63 0.00 0.00 28.75 29.02 3hm0 h GLU 43 CO -0.09 0.59 0.45 0.00 -0.73 0.00 0.00 179.01 179.23 3hm0 h ARG 44 N 0.92 0.76 -0.06 1.92 3.08 -0.78 0.25 114.38 120.47 3hm0 h ARG 44 Ca 0.31 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3hm0 h ARG 44 Cb 0.04 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 3hm0 h ARG 44 CO -0.12 0.50 0.04 0.78 -1.07 0.00 0.00 179.97 180.10 3hm0 h GLY 45 N 0.78 0.08 0.80 0.04 0.00 -0.84 -1.37 103.07 102.56 3hm0 h GLY 45 Ca 0.36 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.66 3hm0 h GLY 45 CO -0.22 0.03 0.01 3.21 0.00 0.00 0.00 176.54 179.57 3hm0 h ARG 46 N 0.07 0.08 -0.69 4.80 3.08 -1.08 -1.65 114.38 118.99 3hm0 h ARG 46 Ca 0.02 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.11 3hm0 h ARG 46 Cb -0.00 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 3hm0 h ARG 46 CO -0.00 0.28 0.46 0.77 -1.07 0.00 0.00 179.97 180.40 3hm0 h SER 47 N -0.13 0.63 0.97 7.04 0.02 -0.91 -0.83 113.55 120.34 3hm0 h SER 47 Ca 0.02 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.82 3hm0 h SER 47 Cb 0.23 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 3hm0 h SER 47 CO 0.00 0.41 -0.72 -0.33 -1.14 0.00 0.00 176.83 175.05 3hm0 h GLU 48 N 0.72 0.00 0.22 3.45 4.39 -1.06 -1.42 114.58 120.88 3hm0 h GLU 48 Ca 0.30 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.99 3hm0 h GLU 48 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3hm0 h GLU 48 CO -0.10 0.72 -0.11 0.35 -1.16 0.00 0.00 179.01 178.72 3hm0 h PHE 49 N 0.00 -0.28 -1.00 4.33 3.57 -0.60 -1.45 116.94 121.51 3hm0 h PHE 49 Ca -0.01 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.52 3hm0 h PHE 49 Cb 1.40 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 40.18 3hm0 h PHE 49 CO 0.00 -0.03 0.65 -0.07 -2.23 0.00 0.00 178.31 176.63 3hm0 h LEU 50 N -0.49 1.10 -0.68 0.59 3.38 -1.00 -1.12 115.31 117.09 3hm0 h LEU 50 Ca -0.03 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 3hm0 h LEU 50 Cb 0.37 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3hm0 h LEU 50 CO 0.05 0.75 -0.66 -0.09 0.09 0.00 0.00 178.44 178.58 3hm0 h ARG 51 N 1.27 0.01 0.00 1.13 2.43 -1.28 -1.90 114.38 116.04 3hm0 h ARG 51 Ca 0.39 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 3hm0 h ARG 51 Cb -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3hm0 h ARG 51 CO -0.12 0.66 0.00 -0.25 -1.51 0.00 0.00 179.97 178.75 3hm0 n ASP 52 N -3.76 0.39 -0.02 -3.80 8.00 -0.43 -3.20 116.55 113.73 3hm0 n ASP 52 Ca -0.01 0.68 -0.04 0.00 0.71 0.00 0.00 54.79 56.12 3hm0 n ASP 52 Cb 0.65 -0.73 -0.01 0.00 -0.02 0.00 0.00 41.12 41.01 3hm0 n ASP 52 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3hm0 n THR 53 N -2.02 0.22 0.00 -3.53 -2.24 -1.13 -5.09 114.28 100.50 3hm0 n THR 53 Ca -0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3hm0 n THR 53 Cb 0.03 -1.54 0.00 0.00 -2.10 0.00 0.00 70.33 66.73 3hm0 n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hm0 n GLY 54 N 2.76 1.40 3.43 3.38 0.00 -0.73 -5.09 105.19 110.33 3hm0 n GLY 54 Ca -0.08 -0.08 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 3hm0 n GLY 54 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3hm0 n PHE 55 N 0.00 4.78 -1.01 1.61 1.16 -1.20 -4.87 117.46 117.93 3hm0 n PHE 55 Ca 0.00 -3.25 -0.30 0.00 -1.87 0.00 0.00 57.45 52.03 3hm0 n PHE 55 Cb 0.00 -2.24 0.23 0.00 -1.61 0.00 0.00 39.48 35.86 3hm0 n PHE 55 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3hm0 s ASN 56 N 2.87 1.10 0.30 5.98 2.20 -1.26 -4.74 114.94 121.38 3hm0 s ASN 56 Ca 0.44 0.81 0.09 0.00 -0.94 0.00 0.00 52.86 53.26 3hm0 s ASN 56 Cb -0.01 -1.19 0.46 0.00 -2.00 0.00 0.00 41.25 38.51 3hm0 s ASN 56 CO 0.01 -4.03 1.69 0.78 -2.94 0.00 0.00 177.10 172.61 3hm0 h ASN 57 N -2.52 0.14 -0.50 3.54 2.35 -1.95 -2.45 115.58 114.20 3hm0 h ASN 57 Ca -0.48 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.09 3hm0 h ASN 57 Cb 1.31 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.62 3hm0 h ASN 57 CO 0.40 0.60 -0.13 0.74 -1.65 0.00 0.00 177.43 177.38 3hm0 h THR 58 N 0.10 1.27 0.21 2.81 2.02 -1.96 -1.21 112.91 116.15 3hm0 h THR 58 Ca 0.00 -1.29 -0.01 0.00 0.77 0.00 0.00 66.41 65.89 3hm0 h THR 58 Cb 0.88 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 3hm0 h THR 58 CO 0.07 0.45 -0.10 0.25 0.37 0.00 0.00 175.52 176.56 3hm0 h LEU 59 N 0.88 -0.24 -1.09 2.58 5.85 -1.82 0.02 115.31 121.48 3hm0 h LEU 59 Ca 0.13 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.74 3hm0 h LEU 59 Cb 0.69 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.72 3hm0 h LEU 59 CO 0.05 0.06 0.61 -0.07 -0.34 0.00 0.00 178.44 178.75 3hm0 h LEU 60 N -0.56 0.95 -0.23 2.25 3.38 -1.53 -2.68 115.31 116.90 3hm0 h LEU 60 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hm0 h LEU 60 Cb 0.41 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3hm0 h LEU 60 CO 0.05 0.60 0.00 0.00 0.09 0.00 0.00 178.44 179.18 3hm0 h ALA 61 N 1.49 1.00 -0.34 1.53 0.00 -1.06 0.19 119.26 122.07 3hm0 h ALA 61 Ca 0.41 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.24 3hm0 h ALA 61 Cb 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3hm0 h ALA 61 CO -0.16 0.00 -0.15 0.66 0.00 0.00 0.00 179.25 179.60 3hm0 h SER 62 N 0.00 0.60 0.00 0.00 4.64 -0.62 -3.42 113.55 114.75 3hm0 h SER 62 Ca 0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3hm0 h SER 62 Cb 0.87 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3hm0 h SER 62 CO 0.00 0.77 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 3hm0 n GLY 63 N -0.49 0.93 0.41 -0.77 0.00 -1.26 -4.86 105.19 99.15 3hm0 n GLY 63 Ca 0.01 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.24 3hm0 n GLY 63 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3hm0 h VAL 64 N 0.00 0.62 0.00 1.61 3.04 -1.80 0.16 116.25 119.88 3hm0 h VAL 64 Ca 0.00 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 3hm0 h VAL 64 Cb 0.00 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 29.51 3hm0 h VAL 64 CO 0.00 0.07 0.00 -0.62 -1.01 0.00 0.00 177.57 176.01 3hm0 n GLU 65 N -4.51 0.63 0.00 4.17 -0.58 -1.26 -4.88 120.64 114.21 3hm0 n GLU 65 Ca 0.21 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 3hm0 n GLU 65 Cb 0.78 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.15 3hm0 n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hm0 n GLY 66 N 0.95 2.91 3.16 0.62 0.00 0.56 -5.05 105.19 108.34 3hm0 n GLY 66 Ca 0.17 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 3hm0 n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hm0 s GLU 67 N 0.00 0.94 0.31 1.61 -1.05 -1.23 -5.01 118.70 114.27 3hm0 s GLU 67 Ca 0.00 -1.45 -0.28 0.00 -0.15 0.00 0.00 54.97 53.10 3hm0 s GLU 67 Cb 0.00 0.17 -0.09 0.00 -0.44 0.00 0.00 34.13 33.76 3hm0 s GLU 67 CO 0.00 -0.24 1.06 0.15 0.95 0.00 0.00 175.26 177.19 3hm0 s LYS 68 N -4.02 4.52 0.00 -4.83 1.02 -1.26 -4.27 119.74 110.90 3hm0 s LYS 68 Ca 0.23 1.67 0.01 0.00 0.02 0.00 0.00 55.97 57.90 3hm0 s LYS 68 Cb 0.07 -3.00 -0.00 0.00 -0.52 0.00 0.00 37.83 34.38 3hm0 s LYS 68 CO 0.02 0.15 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.06 3hm0 s LEU 69 N -1.78 2.02 -0.00 3.17 1.43 0.67 -3.29 118.68 120.89 3hm0 s LEU 69 Ca 0.48 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 3hm0 s LEU 69 Cb -0.28 -0.12 -0.00 0.00 0.03 0.00 0.00 46.19 45.82 3hm0 s LEU 69 CO 0.36 0.01 -0.04 -0.36 0.23 0.00 0.00 176.35 176.55 3hm0 s PHE 70 N -0.15 0.33 0.58 0.29 0.08 0.11 -3.11 117.98 116.10 3hm0 s PHE 70 Ca -0.00 -0.08 -0.18 0.00 0.12 0.00 0.00 56.93 56.79 3hm0 s PHE 70 Cb -0.02 -0.21 -0.04 0.00 -0.57 0.00 0.00 43.02 42.18 3hm0 s PHE 70 CO -0.00 -0.01 1.12 -0.06 -0.10 0.00 0.00 175.22 176.17 3hm0 s PHE 71 N -0.13 2.67 -0.07 0.36 0.08 -1.26 -0.40 117.98 119.22 3hm0 s PHE 71 Ca 0.01 1.55 -0.04 0.00 0.12 0.00 0.00 56.93 58.56 3hm0 s PHE 71 Cb -0.02 -3.24 0.03 0.00 -0.57 0.00 0.00 43.02 39.23 3hm0 s PHE 71 CO -0.00 -1.59 0.18 0.08 -0.10 0.00 0.00 175.22 173.79 3hm0 s VAL 72 N -1.98 -0.03 -0.06 -0.44 1.01 0.48 -4.87 120.40 114.50 3hm0 s VAL 72 Ca 0.70 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 3hm0 s VAL 72 Cb -0.22 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 3hm0 s VAL 72 CO 0.32 0.05 1.33 -0.69 0.00 0.00 0.00 175.10 176.11 3hm0 s VAL 73 N 0.91 4.00 -0.24 2.92 1.01 -1.26 -0.38 120.40 127.36 3hm0 s VAL 73 Ca -0.07 1.32 -0.08 0.00 0.00 0.00 0.00 61.98 63.15 3hm0 s VAL 73 Cb -0.08 -3.85 -0.17 0.00 0.00 0.00 0.00 36.38 32.28 3hm0 s VAL 73 CO -0.05 -0.04 -0.13 0.54 0.00 0.00 0.00 175.10 175.43 3hm0 n ARG 74 N 5.75 0.63 -3.85 2.72 5.12 0.14 -4.93 116.66 122.24 3hm0 n ARG 74 Ca 0.13 0.26 -0.12 0.00 -1.93 0.00 0.00 57.85 56.19 3hm0 n ARG 74 Cb 0.45 -1.57 -0.11 0.00 -1.16 0.00 0.00 32.46 30.07 3hm0 n ARG 74 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3hm0 s HIS 75 N -2.50 -0.04 -0.07 -1.55 5.04 -1.18 -4.99 115.29 109.99 3hm0 s HIS 75 Ca -0.34 0.06 -0.06 0.00 -1.54 0.00 0.00 55.06 53.19 3hm0 s HIS 75 Cb 0.10 -0.01 0.02 0.00 0.04 0.00 0.00 32.58 32.74 3hm0 s HIS 75 CO 0.59 -0.23 0.19 1.41 -2.34 0.00 0.00 174.74 174.35 3hm0 s MET 76 N -0.94 0.20 -0.18 2.88 1.75 -1.26 0.02 119.30 121.77 3hm0 s MET 76 Ca -0.10 0.31 0.01 0.00 -1.25 0.00 0.00 55.69 54.66 3hm0 s MET 76 Cb -0.06 0.04 0.02 0.00 2.84 0.00 0.00 34.83 37.67 3hm0 s MET 76 CO 0.01 -0.06 -0.20 -1.21 -0.65 0.00 0.00 175.02 172.91 3hm0 s GLU 77 N 0.40 3.00 -0.05 4.11 2.02 0.43 -4.98 118.70 123.63 3hm0 s GLU 77 Ca -0.02 -0.83 0.06 0.00 0.02 0.00 0.00 54.97 54.20 3hm0 s GLU 77 Cb -0.04 -2.56 -0.01 0.00 0.10 0.00 0.00 34.13 31.62 3hm0 s GLU 77 CO -0.02 -0.18 -0.25 0.42 0.02 0.00 0.00 175.26 175.25 3hm0 s ILE 78 N 1.23 2.04 -0.22 -1.63 1.09 -1.26 -1.10 121.20 121.34 3hm0 s ILE 78 Ca 0.03 -1.07 -0.03 0.00 -1.10 0.00 0.00 60.65 58.48 3hm0 s ILE 78 Cb -0.13 -1.72 -0.00 0.00 -1.06 0.00 0.00 42.46 39.55 3hm0 s ILE 78 CO -0.11 0.57 -0.05 0.21 -0.10 0.00 0.00 174.94 175.45 3hm0 s ASN 79 N -0.25 4.23 -0.75 3.58 2.47 -0.27 -4.99 114.94 118.95 3hm0 s ASN 79 Ca -0.01 -0.45 -0.14 0.00 0.42 0.00 0.00 52.86 52.68 3hm0 s ASN 79 Cb -0.13 -1.72 0.19 0.00 -1.45 0.00 0.00 41.25 38.15 3hm0 s ASN 79 CO 0.03 -0.03 0.69 -0.36 -3.72 0.00 0.00 177.10 173.71 3hm0 s PHE 80 N 1.46 3.63 -0.18 0.43 0.08 -1.26 -1.73 117.98 120.40 3hm0 s PHE 80 Ca 0.05 -1.81 -0.24 0.00 0.12 0.00 0.00 56.93 55.05 3hm0 s PHE 80 Cb -0.14 -3.81 -0.22 0.00 -0.57 0.00 0.00 43.02 38.28 3hm0 s PHE 80 CO -0.04 -1.00 0.42 0.77 -0.10 0.00 0.00 175.22 175.27 3hm0 h SER 81 N 8.07 0.00 -4.82 1.36 0.02 -0.85 -3.49 113.55 113.84 3hm0 h SER 81 Ca -0.00 -0.69 -0.24 0.00 -0.84 0.00 0.00 61.79 60.02 3hm0 h SER 81 Cb 1.06 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.39 3hm0 h SER 81 CO 0.83 1.31 -0.72 -0.13 -1.14 0.00 0.00 176.83 176.97 3hm0 s ARG 82 N -2.31 0.52 0.16 3.45 0.52 -0.47 -5.04 118.95 115.77 3hm0 s ARG 82 Ca -0.25 -0.81 -0.11 0.00 -0.52 0.00 0.00 55.73 54.04 3hm0 s ARG 82 Cb 0.03 -0.17 -0.07 0.00 0.52 0.00 0.00 34.95 35.26 3hm0 s ARG 82 CO 0.63 0.01 0.50 -1.25 0.02 0.00 0.00 175.30 175.20 3hm0 s PRO 83 N -1.92 3.83 0.06 3.54 0.04 -1.26 -4.50 135.00 134.78 3hm0 s PRO 83 Ca -0.08 0.28 -0.16 0.00 0.04 0.00 0.00 61.00 61.08 3hm0 s PRO 83 Cb -0.07 -2.84 -0.06 0.00 0.04 0.00 0.00 34.50 31.57 3hm0 s PRO 83 CO -0.01 0.44 0.50 0.00 0.04 0.00 0.00 177.00 177.97 3hm0 s ALA 84 N -1.59 3.63 0.29 8.56 0.00 -1.26 -5.00 121.76 126.39 3hm0 s ALA 84 Ca 0.40 -0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.32 3hm0 s ALA 84 Cb -0.13 -2.51 -0.02 0.00 0.00 0.00 0.00 23.12 20.46 3hm0 s ALA 84 CO 0.20 0.45 0.37 -0.65 0.00 0.00 0.00 175.76 176.12 3hm0 s GLN 85 N -1.29 3.15 0.25 0.00 -1.52 -1.26 -1.94 119.66 117.06 3hm0 s GLN 85 Ca 0.29 -0.97 -0.30 0.00 -1.95 0.00 0.00 55.36 52.43 3hm0 s GLN 85 Cb -0.17 -2.76 -0.14 0.00 -0.22 0.00 0.00 33.01 29.72 3hm0 s GLN 85 CO 0.17 0.25 1.19 1.51 -0.25 0.00 0.00 175.29 178.15 3hm0 n ILE 86 N -1.45 1.44 -0.39 1.08 0.13 -1.26 -1.50 119.36 117.40 3hm0 n ILE 86 Ca -0.05 -0.36 0.00 0.00 -1.10 0.00 0.00 62.75 61.24 3hm0 n ILE 86 Cb 0.58 -1.15 0.00 0.00 -0.84 0.00 0.00 39.64 38.23 3hm0 n ILE 86 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 3hm0 n ASP 87 N 1.61 0.00 -4.65 9.51 2.03 0.15 -4.97 116.55 120.23 3hm0 n ASP 87 Ca 0.11 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.03 3hm0 n ASP 87 Cb 0.30 -0.97 0.03 0.00 -0.72 0.00 0.00 41.12 39.77 3hm0 n ASP 87 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3hm0 n ASN 88 N 0.00 1.50 -4.57 1.67 5.03 -0.56 -4.57 115.26 113.76 3hm0 n ASN 88 Ca 0.00 0.94 -0.39 0.00 0.87 0.00 0.00 54.58 56.00 3hm0 n ASN 88 Cb 0.00 -1.43 -0.10 0.00 -1.02 0.00 0.00 39.78 37.22 3hm0 n ASN 88 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3hm0 s LEU 89 N -1.84 4.22 -0.08 3.41 2.96 -1.26 -1.43 118.68 124.65 3hm0 s LEU 89 Ca 0.70 -0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 54.40 3hm0 s LEU 89 Cb -0.47 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.00 3hm0 s LEU 89 CO 0.52 -0.15 0.19 -0.76 -1.32 0.00 0.00 176.35 174.83 3hm0 s LEU 90 N 1.81 4.40 -0.21 -0.68 1.43 0.15 -4.38 118.68 121.19 3hm0 s LEU 90 Ca 0.08 0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 53.64 3hm0 s LEU 90 Cb -0.16 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 3hm0 s LEU 90 CO 0.11 0.37 0.05 -0.89 0.23 0.00 0.00 176.35 176.22 3hm0 s THR 91 N -1.09 4.37 -0.21 5.49 2.01 -0.09 -1.53 115.64 124.58 3hm0 s THR 91 Ca 0.18 -0.17 -0.04 0.00 0.31 0.00 0.00 61.69 61.98 3hm0 s THR 91 Cb -0.13 -3.00 -0.01 0.00 0.01 0.00 0.00 72.50 69.37 3hm0 s THR 91 CO 0.08 0.40 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.75 3hm0 s ILE 92 N 1.04 3.54 -0.18 1.82 1.01 0.17 -1.07 121.20 127.54 3hm0 s ILE 92 Ca 0.03 -0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.21 3hm0 s ILE 92 Cb -0.14 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 3hm0 s ILE 92 CO 0.03 0.42 -0.04 -0.54 0.00 0.00 0.00 174.94 174.81 3hm0 s LYS 93 N 1.32 3.55 -0.01 2.79 1.02 0.43 -1.59 119.74 127.24 3hm0 s LYS 93 Ca 0.04 -0.57 0.01 0.00 0.02 0.00 0.00 55.97 55.47 3hm0 s LYS 93 Cb -0.14 -2.93 0.01 0.00 -0.52 0.00 0.00 37.83 34.25 3hm0 s LYS 93 CO -0.01 0.09 -0.02 0.99 -0.92 0.00 0.00 175.35 175.48 3hm0 s THR 94 N 0.75 0.23 0.03 2.17 2.01 -0.83 -0.56 115.64 119.44 3hm0 s THR 94 Ca -0.02 -0.05 -0.16 0.00 0.31 0.00 0.00 61.69 61.78 3hm0 s THR 94 Cb -0.15 -0.25 0.03 0.00 0.01 0.00 0.00 72.50 72.14 3hm0 s THR 94 CO 0.02 0.11 0.34 0.00 -0.69 0.00 0.00 174.62 174.40 3hm0 s ARG 95 N 0.40 0.81 0.29 4.92 1.70 -1.16 -0.53 118.95 125.38 3hm0 s ARG 95 Ca -0.04 -0.37 -0.29 0.00 -0.47 0.00 0.00 55.73 54.57 3hm0 s ARG 95 Cb -0.07 0.36 -0.09 0.00 -0.57 0.00 0.00 34.95 34.57 3hm0 s ARG 95 CO -0.01 -0.26 1.05 0.42 -1.08 0.00 0.00 175.30 175.43 3hm0 s ILE 96 N -2.17 3.67 0.00 4.99 1.01 -1.26 -2.22 121.20 125.21 3hm0 s ILE 96 Ca -0.07 1.62 0.00 0.00 0.00 0.00 0.00 60.65 62.19 3hm0 s ILE 96 Cb -0.02 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.45 3hm0 s ILE 96 CO -0.01 0.34 0.00 -1.54 0.00 0.00 0.00 174.94 173.73 3hm0 n SER 97 N 1.07 3.63 -3.67 3.58 3.41 0.20 -4.90 113.62 116.94 3hm0 n SER 97 Ca -0.00 -0.10 -0.09 0.00 -0.26 0.00 0.00 58.87 58.42 3hm0 n SER 97 Cb 0.46 0.93 -0.09 0.00 -0.26 0.00 0.00 64.21 65.25 3hm0 n SER 97 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3hm0 s ARG 98 N -1.66 0.50 0.17 4.33 3.52 -1.13 -4.98 118.95 119.70 3hm0 s ARG 98 Ca 0.00 1.00 0.05 0.00 -0.13 0.00 0.00 55.73 56.65 3hm0 s ARG 98 Cb 0.00 0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.48 3hm0 s ARG 98 CO 0.00 -0.17 0.16 -1.17 -0.81 0.00 0.00 175.30 173.31 3hm0 s LEU 99 N 1.71 3.89 0.00 -0.88 2.96 -1.26 -0.15 118.68 124.95 3hm0 s LEU 99 Ca -0.09 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 53.73 3hm0 s LEU 99 Cb -0.08 -2.48 0.00 0.00 0.50 0.00 0.00 46.19 44.13 3hm0 s LEU 99 CO -0.15 0.06 0.61 0.00 -1.32 0.00 0.00 176.35 175.55 3hm0 n GLN 100 N -0.45 0.00 0.00 1.98 6.02 -0.59 -4.97 117.38 119.37 3hm0 n GLN 100 Ca -0.08 -0.23 0.00 0.00 -0.01 0.00 0.00 57.00 56.68 3hm0 n GLN 100 Cb 0.55 -0.09 0.00 0.00 1.02 0.00 0.00 30.24 31.72 3hm0 n GLN 100 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hm0 n GLY 101 N 0.00 1.91 0.00 1.08 0.00 -1.26 -4.15 105.19 102.77 3hm0 n GLY 101 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3hm0 n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hm0 n ALA 102 N 0.26 0.35 -2.73 4.61 0.00 -1.26 0.17 120.51 121.91 3hm0 n ALA 102 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 3hm0 n ALA 102 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 3hm0 n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hm0 s ARG 103 N -0.23 0.75 0.08 0.00 1.81 -1.26 -3.83 118.95 116.27 3hm0 s ARG 103 Ca 0.00 -0.82 -0.00 0.00 -1.72 0.00 0.00 55.73 53.19 3hm0 s ARG 103 Cb 0.00 -0.70 -0.04 0.00 -0.45 0.00 0.00 34.95 33.76 3hm0 s ARG 103 CO 0.00 0.16 -0.02 -0.59 -0.68 0.00 0.00 175.30 174.17 3hm0 s PHE 104 N -1.13 0.68 -0.11 -0.53 -0.71 -0.11 -1.54 117.98 114.53 3hm0 s PHE 104 Ca -0.03 -1.07 0.02 0.00 -1.04 0.00 0.00 56.93 54.81 3hm0 s PHE 104 Cb -0.09 -0.44 0.01 0.00 -1.21 0.00 0.00 43.02 41.29 3hm0 s PHE 104 CO 0.01 -0.36 -0.16 -0.06 -1.34 0.00 0.00 175.22 173.32 3hm0 s PHE 105 N -3.88 2.02 0.05 3.49 0.40 0.78 -0.78 117.98 120.07 3hm0 s PHE 105 Ca 0.12 -0.93 0.08 0.00 -0.60 0.00 0.00 56.93 55.59 3hm0 s PHE 105 Cb 0.07 -1.44 -0.03 0.00 0.51 0.00 0.00 43.02 42.13 3hm0 s PHE 105 CO -0.06 -0.47 -0.19 -1.64 0.70 0.00 0.00 175.22 173.56 3hm0 s MET 106 N 0.91 1.99 -0.24 0.44 -1.94 0.29 0.59 119.30 121.33 3hm0 s MET 106 Ca -0.08 -1.03 -0.02 0.00 -1.71 0.00 0.00 55.69 52.84 3hm0 s MET 106 Cb -0.15 -2.15 0.01 0.00 2.01 0.00 0.00 34.83 34.55 3hm0 s MET 106 CO -0.00 0.53 -0.06 -1.21 -0.01 0.00 0.00 175.02 174.26 3hm0 s GLU 107 N -1.53 3.03 0.08 2.03 2.02 -0.94 -0.95 118.70 122.44 3hm0 s GLU 107 Ca 0.15 -0.85 0.10 0.00 0.02 0.00 0.00 54.97 54.39 3hm0 s GLU 107 Cb -0.10 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.12 3hm0 s GLU 107 CO 0.06 -0.32 -0.26 -0.65 0.02 0.00 0.00 175.26 174.10 3hm0 s GLN 108 N 1.38 1.67 0.03 1.61 -0.21 0.20 -2.99 119.66 121.35 3hm0 s GLN 108 Ca 0.03 -1.19 0.03 0.00 0.02 0.00 0.00 55.36 54.24 3hm0 s GLN 108 Cb -0.16 -1.96 -0.02 0.00 1.00 0.00 0.00 33.01 31.87 3hm0 s GLN 108 CO -0.05 0.49 -0.10 0.71 -2.12 0.00 0.00 175.29 174.23 3hm0 s TYR 109 N -0.91 0.83 -0.18 0.91 2.02 0.28 -0.44 117.35 119.85 3hm0 s TYR 109 Ca 0.13 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.49 3hm0 s TYR 109 Cb -0.10 -0.50 0.03 0.00 -0.40 0.00 0.00 41.96 40.99 3hm0 s TYR 109 CO 0.04 -0.02 -0.12 0.42 -1.57 0.00 0.00 175.55 174.29 3hm0 s ILE 110 N -0.88 1.64 0.17 2.71 1.01 0.04 -0.43 121.20 125.46 3hm0 s ILE 110 Ca -0.03 -0.85 0.10 0.00 0.00 0.00 0.00 60.65 59.87 3hm0 s ILE 110 Cb -0.07 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 3hm0 s ILE 110 CO 0.01 0.31 -0.20 -0.76 0.00 0.00 0.00 174.94 174.30 3hm0 s LEU 111 N 1.42 2.61 -0.36 2.97 1.02 -0.23 -0.53 118.68 125.58 3hm0 s LEU 111 Ca 0.02 -0.72 -0.04 0.00 0.02 0.00 0.00 54.13 53.40 3hm0 s LEU 111 Cb -0.15 -1.37 0.07 0.00 0.02 0.00 0.00 46.19 44.76 3hm0 s LEU 111 CO -0.10 0.13 0.12 -2.28 0.02 0.00 0.00 176.35 174.25 3hm0 s HIS 112 N -1.51 3.36 0.00 0.29 5.65 -0.01 -0.92 115.29 122.16 3hm0 s HIS 112 Ca 0.20 -1.86 0.00 0.00 0.25 0.00 0.00 55.06 53.66 3hm0 s HIS 112 Cb -0.09 -2.59 0.00 0.00 -1.18 0.00 0.00 32.58 28.72 3hm0 s HIS 112 CO 0.11 -0.84 0.00 0.41 -0.65 0.00 0.00 174.74 173.77 3hm0 n GLY 113 N 4.71 2.71 0.93 1.59 0.00 -1.26 -1.75 105.19 112.11 3hm0 n GLY 113 Ca -0.09 0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.14 3hm0 n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hm0 n GLU 114 N 7.04 2.76 -3.59 1.61 1.02 -1.26 -4.92 120.64 123.30 3hm0 n GLU 114 Ca 0.00 -2.28 -0.39 0.00 -0.02 0.00 0.00 57.16 54.47 3hm0 n GLU 114 Cb 0.00 -1.39 -0.11 0.00 -0.02 0.00 0.00 31.44 29.92 3hm0 n GLU 114 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3hm0 s SER 115 N -1.01 5.90 -0.02 1.62 0.15 -0.71 -5.06 113.70 114.56 3hm0 s SER 115 Ca 0.33 -0.23 -0.30 0.00 0.70 0.00 0.00 55.95 56.45 3hm0 s SER 115 Cb 0.18 -2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 62.35 3hm0 s SER 115 CO 0.23 -0.13 1.22 -0.32 1.20 0.00 0.00 173.24 175.44 3hm0 s MET 116 N 1.72 4.37 -0.16 5.44 1.75 -1.26 -0.83 119.30 130.31 3hm0 s MET 116 Ca 0.06 1.72 -0.10 0.00 -1.25 0.00 0.00 55.69 56.12 3hm0 s MET 116 Cb -0.17 -3.51 -0.07 0.00 2.84 0.00 0.00 34.83 33.92 3hm0 s MET 116 CO 0.10 -0.41 -0.24 1.28 -0.65 0.00 0.00 175.02 175.09 3hm0 n LEU 117 N 4.92 1.40 -3.91 4.11 4.77 0.30 -4.38 117.00 124.22 3hm0 n LEU 117 Ca 0.11 0.24 -0.11 0.00 -0.03 0.00 0.00 56.01 56.22 3hm0 n LEU 117 Cb 0.46 -0.57 -0.12 0.00 -2.33 0.00 0.00 43.42 40.87 3hm0 n LEU 117 CO 0.56 0.18 -0.31 -0.69 -1.33 0.00 0.00 177.39 175.80 3hm0 s VAL 118 N -2.41 0.06 0.05 4.08 1.01 -1.10 -0.11 120.40 121.98 3hm0 s VAL 118 Ca -0.25 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.30 3hm0 s VAL 118 Cb 0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.23 3hm0 s VAL 118 CO 0.32 -0.25 -0.08 0.42 0.00 0.00 0.00 175.10 175.51 3hm0 s THR 119 N -0.77 0.60 -0.09 3.92 -4.23 -0.70 -0.78 115.64 113.58 3hm0 s THR 119 Ca -0.09 -1.24 -0.17 0.00 -1.18 0.00 0.00 61.69 59.02 3hm0 s THR 119 Cb -0.05 -0.82 0.04 0.00 1.34 0.00 0.00 72.50 73.01 3hm0 s THR 119 CO -0.00 -0.46 0.40 0.00 -0.54 0.00 0.00 174.62 174.02 3hm0 s ALA 120 N -1.77 -1.02 -0.16 3.99 0.00 0.41 -1.12 121.76 122.10 3hm0 s ALA 120 Ca -0.06 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 52.73 3hm0 s ALA 120 Cb -0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 3hm0 s ALA 120 CO -0.00 -0.24 -0.11 0.15 0.00 0.00 0.00 175.76 175.55 3hm0 s LYS 121 N -0.59 3.35 -0.03 0.00 3.01 -0.26 -0.63 119.74 124.59 3hm0 s LYS 121 Ca -0.07 -0.68 0.04 0.00 -1.01 0.00 0.00 55.97 54.25 3hm0 s LYS 121 Cb -0.04 -2.73 -0.00 0.00 -1.01 0.00 0.00 37.83 34.05 3hm0 s LYS 121 CO 0.03 0.07 -0.15 0.08 0.51 0.00 0.00 175.35 175.89 3hm0 s VAL 122 N 0.72 1.25 -0.20 3.17 1.01 -0.13 -0.43 120.40 125.81 3hm0 s VAL 122 Ca -0.05 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 3hm0 s VAL 122 Cb -0.15 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 3hm0 s VAL 122 CO 0.02 0.36 -0.01 -0.70 0.00 0.00 0.00 175.10 174.77 3hm0 s GLU 123 N 0.00 3.59 -0.14 2.72 2.12 0.10 -0.55 118.70 126.55 3hm0 s GLU 123 Ca -0.02 -0.54 0.02 0.00 0.36 0.00 0.00 54.97 54.79 3hm0 s GLU 123 Cb -0.10 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.25 3hm0 s GLU 123 CO 0.01 0.02 -0.19 0.42 -0.54 0.00 0.00 175.26 174.98 3hm0 s ILE 124 N 0.97 2.37 0.43 -3.70 -1.09 0.04 0.27 121.20 120.49 3hm0 s ILE 124 Ca 0.01 -0.88 0.07 0.00 -2.23 0.00 0.00 60.65 57.62 3hm0 s ILE 124 Cb -0.14 -1.96 -0.02 0.00 -1.58 0.00 0.00 42.46 38.75 3hm0 s ILE 124 CO 0.01 0.54 0.36 0.00 -1.23 0.00 0.00 174.94 174.63 3hm0 s ALA 125 N 0.70 4.05 -0.16 9.38 0.00 0.49 -0.93 121.76 135.29 3hm0 s ALA 125 Ca -0.09 -1.86 0.01 0.00 0.00 0.00 0.00 51.96 50.03 3hm0 s ALA 125 Cb -0.16 -0.91 0.02 0.00 0.00 0.00 0.00 23.12 22.07 3hm0 s ALA 125 CO 0.01 -0.26 -0.19 -1.17 0.00 0.00 0.00 175.76 174.16 3hm0 s LEU 126 N -4.13 1.99 0.15 0.00 2.96 -1.25 -0.39 118.68 118.01 3hm0 s LEU 126 Ca 0.46 -0.58 0.05 0.00 -0.22 0.00 0.00 54.13 53.83 3hm0 s LEU 126 Cb -0.02 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 3hm0 s LEU 126 CO 0.27 0.01 -0.10 0.27 -1.32 0.00 0.00 176.35 175.48 3hm0 s ILE 127 N 1.17 1.18 0.65 6.68 -4.36 0.46 -1.30 121.20 125.68 3hm0 s ILE 127 Ca 0.01 -2.04 0.02 0.00 -0.26 0.00 0.00 60.65 58.38 3hm0 s ILE 127 Cb -0.14 -1.82 0.10 0.00 1.25 0.00 0.00 42.46 41.85 3hm0 s ILE 127 CO -0.08 -0.73 0.89 0.54 0.24 0.00 0.00 174.94 175.80 3hm0 s ASN 128 N -3.12 4.73 0.62 4.36 4.22 -0.62 0.07 114.94 125.21 3hm0 s ASN 128 Ca 0.16 -0.39 0.28 0.00 -2.14 0.00 0.00 52.86 50.78 3hm0 s ASN 128 Cb 0.02 -0.16 1.49 0.00 1.28 0.00 0.00 41.25 43.89 3hm0 s ASN 128 CO 0.01 -1.57 1.88 -0.08 -2.04 0.00 0.00 177.10 175.29 3hm0 h GLU 129 N -0.22 0.00 -0.13 3.55 4.81 -1.89 0.56 114.58 121.25 3hm0 h GLU 129 Ca -0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 3hm0 h GLU 129 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3hm0 h GLU 129 CO 0.43 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 179.10 3hm0 n GLU 130 N -3.34 2.06 -0.98 1.92 4.71 -1.26 -4.95 120.64 118.81 3hm0 n GLU 130 Ca 0.04 -1.57 0.00 0.00 -0.01 0.00 0.00 57.16 55.62 3hm0 n GLU 130 Cb 0.56 -1.46 0.00 0.00 -1.01 0.00 0.00 31.44 29.53 3hm0 n GLU 130 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3hm0 n GLY 131 N 1.29 0.62 3.73 0.62 0.00 0.20 -5.02 105.19 106.63 3hm0 n GLY 131 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3hm0 n GLY 131 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hm0 s LYS 132 N -0.18 4.73 0.61 1.61 0.00 -1.26 -4.78 119.74 120.47 3hm0 s LYS 132 Ca 0.00 1.46 -0.18 0.00 0.00 0.00 0.00 55.97 57.25 3hm0 s LYS 132 Cb 0.00 -3.36 -0.02 0.00 0.00 0.00 0.00 37.83 34.45 3hm0 s LYS 132 CO 0.00 0.27 1.19 -1.25 0.00 0.00 0.00 175.35 175.56 3hm0 s PRO 133 N -0.22 2.88 0.03 1.78 0.04 -1.26 -1.59 135.00 136.65 3hm0 s PRO 133 Ca 0.46 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 63.24 3hm0 s PRO 133 Cb -0.24 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 3hm0 s PRO 133 CO 0.30 -1.26 0.02 1.03 0.04 0.00 0.00 177.00 177.13 3hm0 s ARG 134 N -3.47 0.45 0.46 4.56 1.81 -0.42 -4.87 118.95 117.47 3hm0 s ARG 134 Ca 0.76 -0.73 -0.22 0.00 -1.72 0.00 0.00 55.73 53.81 3hm0 s ARG 134 Cb -0.29 0.17 -0.08 0.00 -0.45 0.00 0.00 34.95 34.30 3hm0 s ARG 134 CO 0.35 -0.09 1.11 -0.98 -0.68 0.00 0.00 175.30 175.01 3hm0 s ARG 135 N -2.16 3.83 0.31 3.54 1.70 -1.26 -4.49 118.95 120.42 3hm0 s ARG 135 Ca -0.09 1.63 -0.29 0.00 -0.47 0.00 0.00 55.73 56.51 3hm0 s ARG 135 Cb -0.04 -2.36 -0.10 0.00 -0.57 0.00 0.00 34.95 31.87 3hm0 s ARG 135 CO -0.03 -0.46 1.39 -0.51 -1.08 0.00 0.00 175.30 174.61 3hm0 s LEU 136 N -3.07 4.39 0.46 -1.89 1.43 0.46 -4.93 118.68 115.54 3hm0 s LEU 136 Ca 0.63 2.76 -0.18 0.00 -1.03 0.00 0.00 54.13 56.31 3hm0 s LEU 136 Cb -0.25 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.24 3hm0 s LEU 136 CO 0.30 -0.66 0.95 -2.16 0.23 0.00 0.00 176.35 175.01 3hm0 s PRO 137 N -1.37 4.07 0.00 1.29 0.04 -1.26 -4.91 135.00 132.85 3hm0 s PRO 137 Ca 0.53 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.57 3hm0 s PRO 137 Cb -0.42 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 31.94 3hm0 s PRO 137 CO 0.52 -0.14 0.00 1.63 0.04 0.00 0.00 177.00 179.05