#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1o s VAL 2 N 0.00 5.18 -0.01 2.53 1.01 -1.26 -3.97 120.40 123.89 1j1o s VAL 2 Ca 0.00 0.61 0.02 0.00 0.00 0.00 0.00 61.98 62.61 1j1o s VAL 2 Cb 0.00 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1j1o s VAL 2 CO 0.00 0.57 -0.07 -1.10 0.00 0.00 0.00 175.10 174.50 1j1o s GLN 3 N -1.13 0.54 0.06 2.72 -0.21 0.68 -4.99 119.66 117.33 1j1o s GLN 3 Ca 0.22 -0.24 0.07 0.00 0.02 0.00 0.00 55.36 55.43 1j1o s GLN 3 Cb -0.15 -0.52 -0.03 0.00 1.00 0.00 0.00 33.01 33.31 1j1o s GLN 3 CO 0.11 0.14 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.71 1j1o s LEU 4 N -0.15 2.20 -0.20 2.90 1.02 -1.26 -0.61 118.68 122.58 1j1o s LEU 4 Ca 0.03 -0.56 -0.09 0.00 0.02 0.00 0.00 54.13 53.52 1j1o s LEU 4 Cb -0.03 -0.94 0.07 0.00 0.02 0.00 0.00 46.19 45.31 1j1o s LEU 4 CO -0.00 0.13 0.46 -1.58 0.02 0.00 0.00 176.35 175.38 1j1o s GLN 5 N -1.34 0.42 0.33 1.70 0.74 -0.84 -4.28 119.66 116.39 1j1o s GLN 5 Ca 0.07 0.93 -0.15 0.00 0.05 0.00 0.00 55.36 56.26 1j1o s GLN 5 Cb -0.09 0.12 -0.09 0.00 1.10 0.00 0.00 33.01 34.05 1j1o s GLN 5 CO 0.02 -0.18 0.75 -1.21 -0.55 0.00 0.00 175.29 174.12 1j1o s GLU 6 N 1.80 4.01 0.05 1.67 8.01 -1.26 -1.04 118.70 131.95 1j1o s GLU 6 Ca -0.07 0.69 -0.16 0.00 0.01 0.00 0.00 54.97 55.44 1j1o s GLU 6 Cb -0.09 -2.42 0.03 0.00 -4.31 0.00 0.00 34.13 27.34 1j1o s GLU 6 CO -0.14 0.14 0.35 -1.54 0.01 0.00 0.00 175.26 174.09 1j1o s SER 7 N -2.28 -0.19 0.00 -0.19 1.04 0.03 -4.97 113.70 107.13 1j1o s SER 7 Ca 0.55 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.86 1j1o s SER 7 Cb -0.10 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1j1o s SER 7 CO 0.17 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1j1o n GLY 8 N 0.53 2.19 3.75 7.32 0.00 -1.26 -0.91 105.19 116.81 1j1o n GLY 8 Ca -0.18 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 43.70 1j1o n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j1o n PRO 9 N -1.88 1.96 -0.00 1.61 -0.04 -1.26 -4.93 135.00 130.46 1j1o n PRO 9 Ca 0.00 0.71 0.10 0.00 -0.04 0.00 0.00 63.50 64.27 1j1o n PRO 9 Cb 0.00 -2.59 -0.12 0.00 -0.04 0.00 0.00 33.50 30.75 1j1o n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1j1o n SER 10 N -0.54 0.91 -3.87 3.54 3.41 -1.26 -4.82 113.62 110.98 1j1o n SER 10 Ca 0.08 -0.91 -0.22 0.00 -0.26 0.00 0.00 58.87 57.55 1j1o n SER 10 Cb 0.43 1.09 -0.17 0.00 -0.26 0.00 0.00 64.21 65.30 1j1o n SER 10 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1j1o s LEU 11 N -3.13 1.13 0.13 1.04 2.96 -1.26 -0.81 118.68 118.74 1j1o s LEU 11 Ca 0.07 -0.16 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 1j1o s LEU 11 Cb 0.16 -0.54 -0.04 0.00 0.50 0.00 0.00 46.19 46.27 1j1o s LEU 11 CO 0.87 -0.09 -0.05 0.68 -1.32 0.00 0.00 176.35 176.44 1j1o s VAL 12 N 1.30 0.77 0.14 1.68 -7.23 -0.67 -4.98 120.40 111.41 1j1o s VAL 12 Ca -0.05 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.14 1j1o s VAL 12 Cb -0.14 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 1j1o s VAL 12 CO -0.02 -0.72 0.32 -0.54 -0.31 0.00 0.00 175.10 173.82 1j1o s LYS 13 N -3.85 3.51 0.45 4.82 -0.14 -1.26 -1.71 119.74 121.56 1j1o s LYS 13 Ca 0.17 -0.34 -0.25 0.00 -1.36 0.00 0.00 55.97 54.19 1j1o s LYS 13 Cb 0.05 -2.92 -0.09 0.00 -1.68 0.00 0.00 37.83 33.19 1j1o s LYS 13 CO -0.01 0.50 1.34 -2.30 -0.76 0.00 0.00 175.35 174.12 1j1o n PRO 14 N -0.16 2.03 0.00 -1.68 -0.02 -1.26 -2.34 135.00 131.56 1j1o n PRO 14 Ca -0.04 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1j1o n PRO 14 Cb 0.52 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1j1o n PRO 14 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1j1o n SER 15 N -0.06 0.00 -4.28 2.55 2.88 0.97 -4.93 113.62 110.75 1j1o n SER 15 Ca 0.06 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.33 1j1o n SER 15 Cb 0.41 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.03 1j1o n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j1o s GLN 16 N -0.20 0.92 -0.24 -1.46 -2.07 -0.99 -3.80 119.66 111.82 1j1o s GLN 16 Ca 0.00 -0.69 -0.10 0.00 -1.82 0.00 0.00 55.36 52.74 1j1o s GLN 16 Cb 0.00 -2.01 -0.05 0.00 -1.09 0.00 0.00 33.01 29.86 1j1o s GLN 16 CO 0.00 -2.13 0.16 0.99 -1.32 0.00 0.00 175.29 172.99 1j1o s THR 17 N -3.65 5.34 -0.14 3.63 2.01 -1.26 -1.92 115.64 119.65 1j1o s THR 17 Ca 0.72 0.17 -0.21 0.00 0.31 0.00 0.00 61.69 62.68 1j1o s THR 17 Cb -0.04 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 1j1o s THR 17 CO 0.50 0.33 0.62 -0.22 -0.69 0.00 0.00 174.62 175.17 1j1o s LEU 18 N 1.15 4.23 -0.05 4.42 0.20 0.13 -4.89 118.68 123.87 1j1o s LEU 18 Ca 0.07 0.95 0.03 0.00 0.69 0.00 0.00 54.13 55.88 1j1o s LEU 18 Cb -0.14 -2.92 0.00 0.00 -0.43 0.00 0.00 46.19 42.71 1j1o s LEU 18 CO 0.05 -0.16 -0.14 -0.44 -0.29 0.00 0.00 176.35 175.37 1j1o s SER 19 N 0.94 1.88 0.13 3.68 0.01 -1.26 -0.37 113.70 118.71 1j1o s SER 19 Ca 0.31 -0.31 0.06 0.00 1.31 0.00 0.00 55.95 57.32 1j1o s SER 19 Cb -0.16 -0.65 -0.04 0.00 0.21 0.00 0.00 66.02 65.38 1j1o s SER 19 CO 0.13 0.10 -0.13 -0.76 0.41 0.00 0.00 173.24 172.98 1j1o s LEU 20 N 0.29 2.43 0.03 2.44 1.02 -0.12 -4.39 118.68 120.37 1j1o s LEU 20 Ca -0.08 -0.85 0.07 0.00 0.02 0.00 0.00 54.13 53.29 1j1o s LEU 20 Cb -0.13 -0.51 -0.02 0.00 0.02 0.00 0.00 46.19 45.55 1j1o s LEU 20 CO 0.03 -0.18 -0.20 -0.89 0.02 0.00 0.00 176.35 175.13 1j1o s THR 21 N -2.36 1.57 -0.21 5.49 2.01 -0.09 -1.59 115.64 120.46 1j1o s THR 21 Ca 0.10 -1.07 0.01 0.00 0.31 0.00 0.00 61.69 61.04 1j1o s THR 21 Cb -0.04 -1.35 0.04 0.00 0.01 0.00 0.00 72.50 71.17 1j1o s THR 21 CO 0.03 0.25 -0.11 0.00 -0.69 0.00 0.00 174.62 174.09 1j1o s SER 23 N 1.32 6.57 -0.17 0.00 0.01 -0.20 -1.69 113.70 119.55 1j1o s SER 23 Ca -0.02 0.68 -0.06 0.00 1.31 0.00 0.00 55.95 57.86 1j1o s SER 23 Cb -0.17 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 63.77 1j1o s SER 23 CO -0.08 -0.01 0.02 -0.69 0.41 0.00 0.00 173.24 172.89 1j1o s VAL 24 N 0.80 4.38 -0.01 3.43 1.01 -0.81 -1.98 120.40 127.23 1j1o s VAL 24 Ca 0.22 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.07 1j1o s VAL 24 Cb -0.15 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1j1o s VAL 24 CO 0.08 0.48 -0.17 -0.89 0.00 0.00 0.00 175.10 174.60 1j1o s THR 25 N 0.32 1.34 0.00 3.92 2.01 0.22 -4.78 115.64 118.67 1j1o s THR 25 Ca 0.00 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.25 1j1o s THR 25 Cb -0.13 -1.12 0.00 0.00 0.01 0.00 0.00 72.50 71.26 1j1o s THR 25 CO 0.01 0.36 0.00 0.61 -0.69 0.00 0.00 174.62 174.91 1j1o n GLY 26 N 2.60 2.68 3.59 4.40 0.00 -1.25 -0.23 105.19 116.97 1j1o n GLY 26 Ca -0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 1j1o n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j1o s ASP 27 N -1.50 -0.25 0.35 1.61 2.15 -1.26 -4.66 116.67 113.10 1j1o s ASP 27 Ca 0.00 -0.10 -0.26 0.00 0.43 0.00 0.00 52.55 52.61 1j1o s ASP 27 Cb 0.00 0.34 -0.09 0.00 -0.30 0.00 0.00 42.92 42.87 1j1o s ASP 27 CO 0.00 -0.58 1.09 -0.55 -0.17 0.00 0.00 175.17 174.97 1j1o s SER 28 N -2.57 6.92 0.55 -0.34 0.15 -1.26 -4.92 113.70 112.22 1j1o s SER 28 Ca 0.08 2.20 0.33 0.00 0.70 0.00 0.00 55.95 59.26 1j1o s SER 28 Cb -0.01 -2.61 1.55 0.00 -1.71 0.00 0.00 66.02 63.25 1j1o s SER 28 CO -0.05 -0.38 2.07 0.16 1.20 0.00 0.00 173.24 176.23 1j1o h ILE 29 N 2.60 0.26 0.00 6.45 3.07 -1.92 -1.82 117.51 126.15 1j1o h ILE 29 Ca -0.48 -0.50 0.00 0.00 1.55 0.00 0.00 64.86 65.44 1j1o h ILE 29 Cb 1.22 1.39 0.00 0.00 -0.27 0.00 0.00 36.82 39.15 1j1o h ILE 29 CO 0.64 0.07 0.00 0.35 -1.05 0.00 0.00 178.15 178.16 1j1o n THR 30 N -3.31 0.12 -1.14 0.16 -2.24 -1.26 -3.15 114.28 103.46 1j1o n THR 30 Ca -0.01 0.03 0.02 0.00 -2.27 0.00 0.00 64.05 61.82 1j1o n THR 30 Cb 0.25 -0.74 0.25 0.00 -2.10 0.00 0.00 70.33 67.99 1j1o n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1j1o n SER 31 N -1.07 3.68 -3.39 3.42 7.64 -0.69 -4.96 113.62 118.26 1j1o n SER 31 Ca 0.12 -3.28 -0.04 0.00 1.01 0.00 0.00 58.87 56.68 1j1o n SER 31 Cb 0.08 -0.62 0.01 0.00 -1.01 0.00 0.00 64.21 62.68 1j1o n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1j1o s ASP 32 N -1.92 -0.03 -0.03 6.43 -1.08 -1.19 -5.04 116.67 113.82 1j1o s ASP 32 Ca 0.46 -0.67 -0.02 0.00 -0.52 0.00 0.00 52.55 51.80 1j1o s ASP 32 Cb 0.38 0.53 -0.04 0.00 -1.46 0.00 0.00 42.92 42.33 1j1o s ASP 32 CO 0.07 -1.04 0.08 -0.31 0.52 0.00 0.00 175.17 174.50 1j1o s TYR 33 N -2.37 3.33 -0.05 -5.34 1.51 -1.26 -4.24 117.35 108.92 1j1o s TYR 33 Ca 0.20 0.26 0.05 0.00 -1.01 0.00 0.00 57.07 56.56 1j1o s TYR 33 Cb -0.03 -1.78 -0.01 0.00 -0.11 0.00 0.00 41.96 40.04 1j1o s TYR 33 CO 0.05 0.57 -0.20 -1.58 -1.11 0.00 0.00 175.55 173.28 1j1o s TRP 34 N -1.14 1.97 0.35 2.71 0.52 -0.23 -1.43 118.94 121.70 1j1o s TRP 34 Ca 0.21 -0.57 0.07 0.00 0.02 0.00 0.00 56.10 55.83 1j1o s TRP 34 Cb -0.12 -1.31 -0.07 0.00 -1.15 0.00 0.00 33.47 30.82 1j1o s TRP 34 CO 0.11 -0.18 -0.01 -1.12 0.02 0.00 0.00 176.95 175.77 1j1o s SER 35 N -0.06 3.33 -0.04 2.95 0.01 0.05 -0.66 113.70 119.29 1j1o s SER 35 Ca -0.03 -1.30 0.01 0.00 1.31 0.00 0.00 55.95 55.94 1j1o s SER 35 Cb -0.12 -0.28 0.02 0.00 0.21 0.00 0.00 66.02 65.84 1j1o s SER 35 CO 0.03 -0.41 -0.06 0.26 0.41 0.00 0.00 173.24 173.46 1j1o s TRP 36 N -2.87 0.85 0.03 2.43 0.52 -0.57 -2.33 118.94 117.00 1j1o s TRP 36 Ca 0.34 -0.24 0.02 0.00 0.02 0.00 0.00 56.10 56.24 1j1o s TRP 36 Cb 0.07 -0.69 -0.02 0.00 -1.15 0.00 0.00 33.47 31.68 1j1o s TRP 36 CO 0.16 -0.17 -0.08 0.42 0.02 0.00 0.00 176.95 177.30 1j1o s ILE 37 N 0.71 0.60 0.08 2.03 1.09 -0.18 -1.13 121.20 124.39 1j1o s ILE 37 Ca -0.10 -0.81 0.04 0.00 -1.10 0.00 0.00 60.65 58.68 1j1o s ILE 37 Cb -0.13 -0.60 -0.03 0.00 -1.06 0.00 0.00 42.46 40.64 1j1o s ILE 37 CO 0.01 -0.17 -0.11 0.00 -0.10 0.00 0.00 174.94 174.57 1j1o s ARG 38 N -1.07 0.76 -0.17 2.79 1.70 -0.56 -0.10 118.95 122.30 1j1o s ARG 38 Ca -0.04 -0.99 0.00 0.00 -0.47 0.00 0.00 55.73 54.23 1j1o s ARG 38 Cb -0.07 -0.58 0.01 0.00 -0.57 0.00 0.00 34.95 33.73 1j1o s ARG 38 CO 0.00 0.11 -0.16 0.21 -1.08 0.00 0.00 175.30 174.38 1j1o s LYS 39 N -2.14 3.13 0.48 3.89 2.20 0.23 -0.83 119.74 126.70 1j1o s LYS 39 Ca -0.01 -0.78 -0.00 0.00 -0.36 0.00 0.00 55.97 54.82 1j1o s LYS 39 Cb -0.07 -2.63 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 1j1o s LYS 39 CO 0.01 -0.09 0.71 -0.06 -0.36 0.00 0.00 175.35 175.56 1j1o s PHE 40 N 1.06 3.20 0.62 4.03 0.08 0.63 -1.23 117.98 126.37 1j1o s PHE 40 Ca -0.01 0.27 -0.19 0.00 0.12 0.00 0.00 56.93 57.12 1j1o s PHE 40 Cb -0.14 -2.41 -0.02 0.00 -0.57 0.00 0.00 43.02 39.88 1j1o s PHE 40 CO -0.05 -0.46 1.31 -2.30 -0.10 0.00 0.00 175.22 173.62 1j1o n PRO 41 N -2.17 1.26 -0.92 0.24 -0.02 -1.26 -3.09 135.00 129.04 1j1o n PRO 41 Ca 0.02 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1j1o n PRO 41 Cb 0.58 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1j1o n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j1o n GLY 42 N 0.89 0.83 3.99 -1.23 0.00 -1.26 -4.24 105.19 104.16 1j1o n GLY 42 Ca 0.15 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 1j1o n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1j1o n ASN 43 N 1.21 -3.84 -4.43 1.61 3.02 -1.18 -4.95 115.26 106.70 1j1o n ASN 43 Ca 0.00 -0.86 -0.40 0.00 -0.03 0.00 0.00 54.58 53.29 1j1o n ASN 43 Cb 0.16 -3.53 -0.11 0.00 -0.61 0.00 0.00 39.78 35.68 1j1o n ASN 43 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1j1o s ARG 44 N -6.66 3.18 -0.05 3.52 3.52 -1.18 -4.97 118.95 116.32 1j1o s ARG 44 Ca 0.59 -0.83 -0.09 0.00 -0.13 0.00 0.00 55.73 55.27 1j1o s ARG 44 Cb -0.31 -3.66 -0.05 0.00 -1.56 0.00 0.00 34.95 29.38 1j1o s ARG 44 CO 0.86 -0.52 0.25 -0.51 -0.81 0.00 0.00 175.30 174.57 1j1o s LEU 45 N 1.61 4.41 -0.05 -0.88 1.43 -1.26 -0.27 118.68 123.66 1j1o s LEU 45 Ca 0.04 0.63 0.01 0.00 -1.03 0.00 0.00 54.13 53.78 1j1o s LEU 45 Cb -0.18 -2.38 0.02 0.00 0.03 0.00 0.00 46.19 43.69 1j1o s LEU 45 CO 0.07 0.34 -0.04 -0.70 0.23 0.00 0.00 176.35 176.25 1j1o s GLU 46 N -1.24 0.90 -0.33 1.70 2.12 -0.01 -5.00 118.70 116.83 1j1o s GLU 46 Ca 0.21 -0.10 -0.26 0.00 0.36 0.00 0.00 54.97 55.17 1j1o s GLU 46 Cb -0.14 -0.95 0.01 0.00 0.26 0.00 0.00 34.13 33.32 1j1o s GLU 46 CO 0.10 -0.12 0.95 -0.47 -0.54 0.00 0.00 175.26 175.17 1j1o s TYR 47 N 1.12 3.14 -0.05 5.30 6.14 -1.26 -1.50 117.35 130.24 1j1o s TYR 47 Ca -0.08 0.95 -0.22 0.00 0.64 0.00 0.00 57.07 58.36 1j1o s TYR 47 Cb -0.14 -3.54 -0.28 0.00 0.42 0.00 0.00 41.96 38.41 1j1o s TYR 47 CO -0.01 -0.73 0.94 0.52 0.64 0.00 0.00 175.55 176.91 1j1o h MET 48 N 8.22 0.28 0.00 4.97 2.86 -1.48 -3.40 114.93 126.37 1j1o h MET 48 Ca -0.22 -0.41 0.00 0.00 -2.06 0.00 0.00 59.70 57.00 1j1o h MET 48 Cb 1.08 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1j1o h MET 48 CO 0.97 1.16 0.00 0.41 1.06 0.00 0.00 176.91 180.51 1j1o n GLY 49 N 1.47 -0.38 3.28 8.32 0.00 -1.15 -1.03 105.19 115.71 1j1o n GLY 49 Ca -0.12 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.56 1j1o n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1j1o s TYR 50 N -2.00 -0.09 -0.11 1.61 1.13 -0.42 -1.51 117.35 115.96 1j1o s TYR 50 Ca 0.00 -0.26 0.04 0.00 -1.41 0.00 0.00 57.07 55.44 1j1o s TYR 50 Cb 0.00 0.15 0.00 0.00 -1.10 0.00 0.00 41.96 41.01 1j1o s TYR 50 CO 0.00 -0.64 -0.23 0.54 -2.51 0.00 0.00 175.55 172.70 1j1o s VAL 51 N -3.76 2.05 0.58 -3.49 0.11 0.17 -1.29 120.40 114.77 1j1o s VAL 51 Ca 0.03 -1.01 0.05 0.00 -2.93 0.00 0.00 61.98 58.13 1j1o s VAL 51 Cb 0.03 -1.78 0.08 0.00 -1.53 0.00 0.00 36.38 33.17 1j1o s VAL 51 CO -0.11 0.56 0.81 -0.94 -3.33 0.00 0.00 175.10 172.08 1j1o s SER 52 N 0.43 5.02 0.52 3.54 1.04 -0.36 -1.07 113.70 122.81 1j1o s SER 52 Ca -0.17 -0.50 0.27 0.00 0.48 0.00 0.00 55.95 56.04 1j1o s SER 52 Cb -0.18 -0.15 1.39 0.00 0.10 0.00 0.00 66.02 67.18 1j1o s SER 52 CO 0.07 -1.35 1.92 0.10 0.98 0.00 0.00 173.24 174.96 1j1o h TYR 53 N 0.04 0.08 -0.00 5.02 -0.00 -1.89 -0.55 116.97 119.68 1j1o h TYR 53 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.38 1j1o h TYR 53 Cb 1.28 -0.03 0.00 0.00 -0.00 0.00 0.00 36.73 37.99 1j1o h TYR 53 CO 0.24 0.02 -0.08 -1.13 -0.00 0.00 0.00 178.16 177.21 1j1o n SER 54 N -4.34 0.15 0.00 0.10 3.41 -1.26 -4.89 113.62 106.80 1j1o n SER 54 Ca 0.15 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1j1o n SER 54 Cb 0.79 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1j1o n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j1o n GLY 55 N 1.39 0.06 3.76 5.00 0.00 -0.21 -5.06 105.19 110.14 1j1o n GLY 55 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1j1o n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j1o s SER 56 N -2.02 6.04 0.21 1.61 1.04 -1.26 -4.76 113.70 114.57 1j1o s SER 56 Ca 0.00 2.53 0.11 0.00 0.48 0.00 0.00 55.95 59.07 1j1o s SER 56 Cb 0.00 -2.62 -0.05 0.00 0.10 0.00 0.00 66.02 63.45 1j1o s SER 56 CO 0.00 -1.02 -0.21 0.42 0.98 0.00 0.00 173.24 173.41 1j1o s THR 57 N -1.38 2.24 -0.09 2.02 -4.23 -1.26 -1.23 115.64 111.72 1j1o s THR 57 Ca 0.63 -2.13 -0.01 0.00 -1.18 0.00 0.00 61.69 59.00 1j1o s THR 57 Cb -0.35 -2.11 0.03 0.00 1.34 0.00 0.00 72.50 71.41 1j1o s THR 57 CO 0.43 -0.26 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.90 1j1o s TYR 58 N -2.06 1.02 -0.01 3.99 2.02 -0.41 -5.00 117.35 116.89 1j1o s TYR 58 Ca 0.22 -0.41 0.07 0.00 -0.37 0.00 0.00 57.07 56.59 1j1o s TYR 58 Cb -0.06 -0.97 -0.02 0.00 -0.40 0.00 0.00 41.96 40.50 1j1o s TYR 58 CO 0.10 -0.39 -0.22 0.71 -1.57 0.00 0.00 175.55 174.18 1j1o s TYR 59 N 1.78 2.44 0.04 2.71 2.02 -1.26 -1.31 117.35 123.77 1j1o s TYR 59 Ca 0.04 -0.35 -0.30 0.00 -0.37 0.00 0.00 57.07 56.08 1j1o s TYR 59 Cb -0.13 -1.51 -0.07 0.00 -0.40 0.00 0.00 41.96 39.86 1j1o s TYR 59 CO -0.06 0.07 1.49 1.21 -1.57 0.00 0.00 175.55 176.69 1j1o s ASN 60 N -0.83 6.76 0.66 2.29 3.84 -0.19 -4.86 114.94 122.60 1j1o s ASN 60 Ca 0.11 2.27 0.36 0.00 0.21 0.00 0.00 52.86 55.80 1j1o s ASN 60 Cb -0.10 -2.56 1.95 0.00 -0.55 0.00 0.00 41.25 39.99 1j1o s ASN 60 CO 0.01 -0.77 2.12 -0.65 -2.79 0.00 0.00 177.10 175.02 1j1o h PRO 61 N 7.86 0.00 0.00 0.43 0.11 -1.94 -0.69 132.00 137.77 1j1o h PRO 61 Ca -0.40 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 1j1o h PRO 61 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1j1o h PRO 61 CO 0.91 0.00 -0.03 0.66 -0.21 0.00 0.00 178.00 179.33 1j1o h SER 62 N 0.00 0.00 0.03 -2.05 4.64 -1.97 -0.56 113.55 113.65 1j1o h SER 62 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1j1o h SER 62 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1j1o h SER 62 CO -0.00 0.03 -0.01 0.18 -0.87 0.00 0.00 176.83 176.16 1j1o n LEU 63 N -3.54 0.42 -4.16 5.97 4.77 -0.27 -4.92 117.00 115.28 1j1o n LEU 63 Ca -0.03 -0.12 -0.34 0.00 -0.03 0.00 0.00 56.01 55.49 1j1o n LEU 63 Cb 0.13 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1j1o n LEU 63 CO 0.26 0.07 -0.03 0.29 -1.33 0.00 0.00 177.39 176.65 1j1o n LYS 64 N -0.69 -3.51 -3.27 3.23 4.76 -0.22 -1.80 118.16 116.65 1j1o n LYS 64 Ca 0.22 0.41 -0.24 0.00 -2.87 0.00 0.00 58.31 55.83 1j1o n LYS 64 Cb 0.19 -5.10 0.04 0.00 -1.84 0.00 0.00 35.03 28.32 1j1o n LYS 64 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1j1o n SER 65 N -2.71 -5.76 -0.68 4.39 7.64 -1.26 -4.87 113.62 110.37 1j1o n SER 65 Ca 0.03 -0.40 0.10 0.00 1.01 0.00 0.00 58.87 59.62 1j1o n SER 65 Cb 0.51 -4.63 0.05 0.00 -1.01 0.00 0.00 64.21 59.14 1j1o n SER 65 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1j1o n ARG 66 N -4.27 1.72 -3.96 1.43 1.74 -0.74 -4.98 116.66 107.60 1j1o n ARG 66 Ca -0.06 -1.41 -0.33 0.00 -0.77 0.00 0.00 57.85 55.29 1j1o n ARG 66 Cb 0.59 -1.41 -0.05 0.00 -1.02 0.00 0.00 32.46 30.56 1j1o n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1j1o s ILE 67 N -2.02 5.22 -0.02 0.55 2.07 -1.26 -0.62 121.20 125.13 1j1o s ILE 67 Ca 0.21 -0.28 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 1j1o s ILE 67 Cb 0.17 -3.45 0.03 0.00 0.13 0.00 0.00 42.46 39.34 1j1o s ILE 67 CO 0.38 0.29 0.03 -0.55 -1.91 0.00 0.00 174.94 173.18 1j1o s SER 68 N -2.00 0.10 -0.15 4.50 0.15 -0.36 -4.99 113.70 110.95 1j1o s SER 68 Ca 0.27 0.03 0.01 0.00 0.70 0.00 0.00 55.95 56.97 1j1o s SER 68 Cb -0.13 -0.08 0.02 0.00 -1.71 0.00 0.00 66.02 64.12 1j1o s SER 68 CO 0.19 -0.12 -0.17 -0.63 1.20 0.00 0.00 173.24 173.71 1j1o s ILE 69 N 1.03 1.73 0.28 6.45 1.01 -1.26 -0.89 121.20 129.55 1j1o s ILE 69 Ca -0.09 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.85 1j1o s ILE 69 Cb -0.13 -1.59 -0.06 0.00 0.01 0.00 0.00 42.46 40.70 1j1o s ILE 69 CO -0.03 0.49 0.04 0.42 0.00 0.00 0.00 174.94 175.86 1j1o s THR 70 N 1.27 0.99 0.12 2.92 -4.23 -1.09 -4.94 115.64 110.67 1j1o s THR 70 Ca 0.01 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 1j1o s THR 70 Cb -0.14 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 1j1o s THR 70 CO -0.08 -0.12 -0.12 -0.13 -0.54 0.00 0.00 174.62 173.63 1j1o s ARG 71 N -3.91 0.97 -0.28 3.99 0.52 -1.26 -0.07 118.95 118.89 1j1o s ARG 71 Ca 0.34 -1.26 -0.03 0.00 -0.52 0.00 0.00 55.73 54.27 1j1o s ARG 71 Cb 0.07 -0.70 0.09 0.00 0.52 0.00 0.00 34.95 34.94 1j1o s ARG 71 CO 0.13 0.12 0.11 0.34 0.02 0.00 0.00 175.30 176.01 1j1o s ASP 72 N -2.61 3.61 0.16 0.23 -1.08 -0.25 -4.99 116.67 111.74 1j1o s ASP 72 Ca 0.09 -1.34 -0.15 0.00 -0.52 0.00 0.00 52.55 50.62 1j1o s ASP 72 Cb -0.02 -0.55 0.03 0.00 -1.46 0.00 0.00 42.92 40.92 1j1o s ASP 72 CO 0.01 -0.42 1.82 0.74 0.52 0.00 0.00 175.17 177.85 1j1o h THR 73 N 6.45 1.12 -0.73 1.71 2.02 -1.97 -0.69 112.91 120.82 1j1o h THR 73 Ca -0.17 -0.22 0.13 0.00 0.77 0.00 0.00 66.41 66.92 1j1o h THR 73 Cb 1.03 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 1j1o h THR 73 CO 0.44 0.11 0.49 0.77 0.37 0.00 0.00 175.52 177.69 1j1o h SER 74 N 0.60 0.43 -0.17 4.18 4.64 -1.95 -0.27 113.55 121.02 1j1o h SER 74 Ca 0.16 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1j1o h SER 74 Cb -0.06 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1j1o h SER 74 CO -0.03 0.24 0.00 0.29 -0.87 0.00 0.00 176.83 176.45 1j1o n LYS 75 N -4.48 2.24 -3.92 4.77 5.02 -1.07 -4.99 118.16 115.72 1j1o n LYS 75 Ca 0.13 -1.99 -0.32 0.00 -2.02 0.00 0.00 58.31 54.10 1j1o n LYS 75 Cb 0.46 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1j1o n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1j1o n ASN 76 N 1.32 -2.66 -3.78 4.39 4.05 -0.11 -4.82 115.26 113.64 1j1o n ASN 76 Ca 0.15 -1.10 -0.10 0.00 0.45 0.00 0.00 54.58 53.98 1j1o n ASN 76 Cb 0.57 -2.73 -0.05 0.00 1.23 0.00 0.00 39.78 38.80 1j1o n ASN 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1j1o s GLN 77 N -6.63 1.21 0.24 1.20 -2.07 -1.01 -1.92 119.66 110.69 1j1o s GLN 77 Ca 0.26 -0.92 0.03 0.00 -1.82 0.00 0.00 55.36 52.92 1j1o s GLN 77 Cb -0.11 0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 32.21 1j1o s GLN 77 CO 0.91 -0.48 0.01 1.52 -1.32 0.00 0.00 175.29 175.93 1j1o s TYR 78 N -3.88 1.62 0.22 9.60 1.13 -0.68 -1.09 117.35 124.27 1j1o s TYR 78 Ca 0.10 -0.94 0.04 0.00 -1.41 0.00 0.00 57.07 54.86 1j1o s TYR 78 Cb 0.01 -0.95 -0.05 0.00 -1.10 0.00 0.00 41.96 39.87 1j1o s TYR 78 CO -0.05 -0.05 -0.03 0.71 -2.51 0.00 0.00 175.55 173.63 1j1o s TYR 79 N -3.42 1.56 -0.09 -3.49 2.02 0.90 -0.93 117.35 113.91 1j1o s TYR 79 Ca 0.30 -0.86 0.00 0.00 -0.37 0.00 0.00 57.07 56.14 1j1o s TYR 79 Cb 0.06 -0.88 0.02 0.00 -0.40 0.00 0.00 41.96 40.76 1j1o s TYR 79 CO 0.10 0.03 -0.07 -1.17 -1.57 0.00 0.00 175.55 172.87 1j1o s LEU 80 N -3.30 1.18 -0.06 -1.29 2.96 -0.62 -2.68 118.68 114.87 1j1o s LEU 80 Ca 0.26 -0.24 0.06 0.00 -0.22 0.00 0.00 54.13 54.00 1j1o s LEU 80 Cb 0.05 -0.71 -0.01 0.00 0.50 0.00 0.00 46.19 46.02 1j1o s LEU 80 CO 0.08 -0.10 -0.24 -1.81 -1.32 0.00 0.00 176.35 172.96 1j1o s ASP 81 N 1.46 3.12 -0.19 3.68 1.01 -0.07 -0.95 116.67 124.73 1j1o s ASP 81 Ca -0.01 -0.50 -0.02 0.00 0.71 0.00 0.00 52.55 52.73 1j1o s ASP 81 Cb -0.13 -0.88 0.06 0.00 1.01 0.00 0.00 42.92 42.97 1j1o s ASP 81 CO -0.04 0.24 0.02 -0.22 0.21 0.00 0.00 175.17 175.38 1j1o s LEU 82 N -0.15 1.30 0.61 1.23 2.96 0.50 -1.22 118.68 123.91 1j1o s LEU 82 Ca -0.04 -0.83 -0.10 0.00 -0.22 0.00 0.00 54.13 52.94 1j1o s LEU 82 Cb -0.14 -0.65 -0.03 0.00 0.50 0.00 0.00 46.19 45.87 1j1o s LEU 82 CO 0.04 -0.29 1.00 0.20 -1.32 0.00 0.00 176.35 175.98 1j1o s ASN 83 N 1.81 6.13 -1.32 3.68 0.01 0.21 -0.70 114.94 124.77 1j1o s ASN 83 Ca -0.01 1.31 -0.25 0.00 -0.71 0.00 0.00 52.86 53.20 1j1o s ASN 83 Cb -0.17 -2.36 0.03 0.00 0.41 0.00 0.00 41.25 39.16 1j1o s ASN 83 CO -0.08 -0.89 0.47 -1.20 -1.51 0.00 0.00 177.10 173.89 1j1o n SER 84 N -2.71 -2.52 -4.75 -1.22 7.64 -1.03 -4.89 113.62 104.14 1j1o n SER 84 Ca 0.05 -1.31 -0.33 0.00 1.01 0.00 0.00 58.87 58.30 1j1o n SER 84 Cb 0.55 -1.58 0.07 0.00 -1.01 0.00 0.00 64.21 62.24 1j1o n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1j1o s VAL 85 N -3.80 2.98 0.35 0.44 -7.23 -0.81 -4.59 120.40 107.74 1j1o s VAL 85 Ca 0.34 0.42 0.04 0.00 -1.81 0.00 0.00 61.98 60.97 1j1o s VAL 85 Cb -0.19 -2.91 -0.03 0.00 0.56 0.00 0.00 36.38 33.81 1j1o s VAL 85 CO 0.99 -0.31 0.16 0.42 -0.31 0.00 0.00 175.10 176.04 1j1o s THR 86 N -2.40 0.43 0.60 5.32 -4.23 -1.26 -0.02 115.64 114.07 1j1o s THR 86 Ca 0.67 -2.00 0.43 0.00 -1.18 0.00 0.00 61.69 59.61 1j1o s THR 86 Cb -0.22 -2.46 0.43 0.00 1.34 0.00 0.00 72.50 71.59 1j1o s THR 86 CO 0.46 0.00 2.32 0.71 -0.54 0.00 0.00 174.62 177.58 1j1o h THR 87 N 2.03 0.00 0.00 3.99 1.35 -1.98 0.95 112.91 119.25 1j1o h THR 87 Ca -0.33 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1j1o h THR 87 Cb 1.26 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1j1o h THR 87 CO 0.52 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.17 1j1o n GLU 88 N -3.03 0.11 -0.08 4.72 -0.58 -1.26 -2.27 120.64 118.26 1j1o n GLU 88 Ca -0.03 0.16 0.12 0.00 -0.42 0.00 0.00 57.16 57.00 1j1o n GLU 88 Cb 0.07 -1.50 0.22 0.00 -0.57 0.00 0.00 31.44 29.66 1j1o n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1j1o n ASP 89 N -1.40 2.87 -4.69 1.62 8.00 0.33 -4.90 116.55 118.37 1j1o n ASP 89 Ca 0.06 -1.91 -0.42 0.00 0.71 0.00 0.00 54.79 53.22 1j1o n ASP 89 Cb 0.18 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 1j1o n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1j1o s THR 90 N -1.80 3.38 0.01 -3.53 2.01 -0.96 -4.84 115.64 109.91 1j1o s THR 90 Ca 0.33 0.82 -0.29 0.00 0.31 0.00 0.00 61.69 62.87 1j1o s THR 90 Cb 0.21 -3.53 0.10 0.00 0.01 0.00 0.00 72.50 69.29 1j1o s THR 90 CO 0.31 0.01 1.25 0.00 -0.69 0.00 0.00 174.62 175.49 1j1o s ALA 91 N 2.33 -2.23 -0.27 7.40 0.00 -0.73 -4.69 121.76 123.57 1j1o s ALA 91 Ca 0.68 0.32 -0.12 0.00 0.00 0.00 0.00 51.96 52.83 1j1o s ALA 91 Cb -0.36 0.61 -0.05 0.00 0.00 0.00 0.00 23.12 23.33 1j1o s ALA 91 CO 0.29 -1.09 0.25 0.99 0.00 0.00 0.00 175.76 176.20 1j1o s THR 92 N -2.29 5.27 -0.16 0.00 2.01 -0.37 -0.86 115.64 119.25 1j1o s THR 92 Ca 0.20 0.30 -0.10 0.00 0.31 0.00 0.00 61.69 62.41 1j1o s THR 92 Cb 0.02 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.90 1j1o s THR 92 CO -0.01 0.23 0.17 -0.31 -0.69 0.00 0.00 174.62 174.01 1j1o s TYR 93 N 1.78 3.50 0.03 4.92 1.51 0.60 -0.60 117.35 129.08 1j1o s TYR 93 Ca 0.10 0.47 0.06 0.00 -1.01 0.00 0.00 57.07 56.68 1j1o s TYR 93 Cb -0.16 -2.12 -0.02 0.00 -0.11 0.00 0.00 41.96 39.55 1j1o s TYR 93 CO 0.10 0.45 -0.18 0.71 -1.11 0.00 0.00 175.55 175.52 1j1o s TYR 94 N -0.16 1.59 0.13 2.71 1.51 0.85 -0.69 117.35 123.29 1j1o s TYR 94 Ca 0.12 -0.34 0.05 0.00 -1.01 0.00 0.00 57.07 55.89 1j1o s TYR 94 Cb -0.12 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.72 1j1o s TYR 94 CO 0.02 0.04 0.04 0.00 -1.11 0.00 0.00 175.55 174.54 1j1o s ALA 96 N -1.55 -1.80 0.58 0.00 0.00 -0.98 -1.03 121.76 116.98 1j1o s ALA 96 Ca 0.28 1.08 -0.15 0.00 0.00 0.00 0.00 51.96 53.17 1j1o s ALA 96 Cb -0.11 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 1j1o s ALA 96 CO 0.20 -0.58 1.03 0.54 0.00 0.00 0.00 175.76 176.95 1j1o s ASN 97 N -2.06 6.13 0.33 0.00 6.03 -0.42 -0.77 114.94 124.19 1j1o s ASN 97 Ca 0.01 1.64 0.09 0.00 -1.03 0.00 0.00 52.86 53.56 1j1o s ASN 97 Cb -0.01 -2.51 0.83 0.00 -3.03 0.00 0.00 41.25 36.53 1j1o s ASN 97 CO -0.05 -0.93 1.79 -0.25 -2.03 0.00 0.00 177.10 175.63 1j1o h TRP 98 N 0.38 0.96 0.00 1.54 7.01 -1.58 -0.66 115.95 123.60 1j1o h TRP 98 Ca -0.46 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.54 1j1o h TRP 98 Cb 1.20 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 27.97 1j1o h TRP 98 CO 0.62 0.20 -0.13 -0.44 -2.79 0.00 0.00 178.44 175.91 1j1o h ASP 99 N 0.68 0.00 0.00 2.65 3.32 -1.92 -3.46 116.42 117.69 1j1o h ASP 99 Ca 0.57 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.62 1j1o h ASP 99 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1j1o h ASP 99 CO -0.35 0.13 0.00 0.61 -1.72 0.00 0.00 179.24 177.91 1j1o n GLY 100 N -0.74 0.74 0.10 2.75 0.00 -0.25 -4.95 105.19 102.82 1j1o n GLY 100 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1j1o n GLY 100 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j1o h ASP 101 N 0.00 0.23 -3.27 1.61 3.32 -1.90 -3.45 116.42 112.97 1j1o h ASP 101 Ca 0.00 -0.23 -0.67 0.00 0.02 0.00 0.00 57.03 56.15 1j1o h ASP 101 Cb 0.00 -0.07 -0.32 0.00 0.22 0.00 0.00 39.33 39.16 1j1o h ASP 101 CO 0.00 1.13 -0.84 -0.31 -1.72 0.00 0.00 179.24 177.50 1j1o s TYR 102 N -2.84 2.69 0.12 4.55 2.02 -1.26 -5.03 117.35 117.60 1j1o s TYR 102 Ca -0.02 -1.12 0.06 0.00 -0.37 0.00 0.00 57.07 55.62 1j1o s TYR 102 Cb 0.09 -1.81 -0.04 0.00 -0.40 0.00 0.00 41.96 39.80 1j1o s TYR 102 CO 0.85 -0.49 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.61 1j1o s TRP 103 N 0.66 1.44 0.76 2.71 0.52 -1.26 -1.30 118.94 122.46 1j1o s TRP 103 Ca -0.10 -0.53 -0.09 0.00 0.02 0.00 0.00 56.10 55.40 1j1o s TRP 103 Cb -0.16 -0.76 0.17 0.00 -1.15 0.00 0.00 33.47 31.57 1j1o s TRP 103 CO 0.02 0.15 1.03 0.41 0.02 0.00 0.00 176.95 178.59 1j1o n GLY 104 N 0.61 -0.68 0.08 0.98 0.00 -0.20 -4.46 105.19 101.51 1j1o n GLY 104 Ca -0.16 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.17 1j1o n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j1o n GLN 105 N -3.10 0.21 0.00 1.61 10.64 -1.26 -4.83 117.38 120.65 1j1o n GLN 105 Ca 0.14 0.15 0.00 0.00 -1.83 0.00 0.00 57.00 55.46 1j1o n GLN 105 Cb 0.50 -1.72 0.00 0.00 -0.86 0.00 0.00 30.24 28.15 1j1o n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1j1o n GLY 106 N 1.35 -0.65 2.98 2.61 0.00 -1.26 -5.05 105.19 105.17 1j1o n GLY 106 Ca 0.05 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 1j1o n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j1o s THR 107 N -2.97 -0.10 0.01 2.61 -1.32 0.13 -4.93 115.64 109.08 1j1o s THR 107 Ca 0.00 0.19 -0.30 0.00 -1.21 0.00 0.00 61.69 60.37 1j1o s THR 107 Cb 0.00 -0.32 -0.04 0.00 -1.51 0.00 0.00 72.50 70.63 1j1o s THR 107 CO 0.00 0.08 1.05 -0.22 -2.21 0.00 0.00 174.62 173.32 1j1o s LEU 108 N 1.43 4.36 -0.14 9.08 2.96 -1.26 -0.30 118.68 134.81 1j1o s LEU 108 Ca -0.07 1.75 0.01 0.00 -0.22 0.00 0.00 54.13 55.60 1j1o s LEU 108 Cb -0.11 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.03 1j1o s LEU 108 CO -0.07 -0.34 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.78 1j1o s VAL 109 N 1.11 1.61 -0.15 1.68 1.01 -0.04 -4.58 120.40 121.04 1j1o s VAL 109 Ca 0.54 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 1j1o s VAL 109 Cb -0.23 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1j1o s VAL 109 CO 0.28 0.47 -0.03 -0.89 0.00 0.00 0.00 175.10 174.92 1j1o s THR 110 N 1.31 3.96 -0.32 3.92 2.01 0.01 -1.77 115.64 124.76 1j1o s THR 110 Ca 0.01 -0.33 -0.11 0.00 0.31 0.00 0.00 61.69 61.57 1j1o s THR 110 Cb -0.13 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 69.62 1j1o s THR 110 CO -0.08 0.49 0.20 -0.69 -0.69 0.00 0.00 174.62 173.85 1j1o s VAL 111 N 0.32 5.01 -0.02 3.82 1.01 -1.26 -1.67 120.40 127.61 1j1o s VAL 111 Ca -0.03 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 1j1o s VAL 111 Cb -0.14 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1j1o s VAL 111 CO 0.03 0.06 0.23 -0.94 0.00 0.00 0.00 175.10 174.47 1j1o s SER 112 N 1.68 -0.11 0.60 3.32 1.04 -0.69 -4.53 113.70 115.02 1j1o s SER 112 Ca 0.06 0.01 0.39 0.00 0.48 0.00 0.00 55.95 56.89 1j1o s SER 112 Cb -0.17 0.29 1.93 0.00 0.10 0.00 0.00 66.02 68.17 1j1o s SER 112 CO 0.09 -0.37 2.18 0.00 0.98 0.00 0.00 173.24 176.12 1j1o h ALA 113 N 4.28 1.00 -0.01 5.32 0.00 -1.97 -3.38 119.26 124.51 1j1o h ALA 113 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1j1o h ALA 113 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1j1o h ALA 113 CO 0.40 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.65