#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1x s VAL 2 N 0.00 5.05 -0.00 2.53 1.01 -1.26 -3.86 120.40 123.87 1j1x s VAL 2 Ca 0.00 0.64 -0.00 0.00 0.00 0.00 0.00 61.98 62.61 1j1x s VAL 2 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1j1x s VAL 2 CO 0.00 0.39 0.01 -1.10 0.00 0.00 0.00 175.10 174.40 1j1x s GLN 3 N -1.60 0.00 0.04 2.72 -0.21 0.98 -4.98 119.66 116.61 1j1x s GLN 3 Ca 0.30 0.03 0.08 0.00 0.02 0.00 0.00 55.36 55.79 1j1x s GLN 3 Cb -0.15 -0.03 -0.03 0.00 1.00 0.00 0.00 33.01 33.81 1j1x s GLN 3 CO 0.16 -0.02 -0.22 -0.51 -2.12 0.00 0.00 175.29 172.59 1j1x s LEU 4 N 0.14 2.16 -0.17 2.90 1.02 -1.26 -0.95 118.68 122.53 1j1x s LEU 4 Ca -0.01 -0.53 -0.08 0.00 0.02 0.00 0.00 54.13 53.53 1j1x s LEU 4 Cb -0.02 -1.03 0.06 0.00 0.02 0.00 0.00 46.19 45.23 1j1x s LEU 4 CO -0.00 0.18 0.39 -1.58 0.02 0.00 0.00 176.35 175.36 1j1x s GLN 5 N -1.15 0.36 0.33 1.70 0.74 -0.87 -4.27 119.66 116.50 1j1x s GLN 5 Ca 0.08 0.81 -0.16 0.00 0.05 0.00 0.00 55.36 56.14 1j1x s GLN 5 Cb -0.09 0.03 -0.09 0.00 1.10 0.00 0.00 33.01 33.96 1j1x s GLN 5 CO 0.02 -0.18 0.76 -1.21 -0.55 0.00 0.00 175.29 174.13 1j1x s GLU 6 N 1.64 4.04 0.02 1.67 8.01 -1.26 -1.12 118.70 131.70 1j1x s GLU 6 Ca -0.08 0.73 -0.14 0.00 0.01 0.00 0.00 54.97 55.49 1j1x s GLU 6 Cb -0.09 -2.41 0.02 0.00 -4.31 0.00 0.00 34.13 27.33 1j1x s GLU 6 CO -0.12 0.14 0.31 -1.54 0.01 0.00 0.00 175.26 174.06 1j1x s SER 7 N -2.24 -0.15 0.00 -0.19 1.04 0.22 -4.97 113.70 107.40 1j1x s SER 7 Ca 0.55 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1j1x s SER 7 Cb -0.10 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1j1x s SER 7 CO 0.17 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1j1x n GLY 8 N 0.88 2.76 3.76 7.32 0.00 -1.26 -0.95 105.19 117.70 1j1x n GLY 8 Ca -0.20 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 1j1x n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j1x n PRO 9 N -1.84 2.18 0.00 1.61 -0.04 -1.26 -4.94 135.00 130.71 1j1x n PRO 9 Ca 0.00 0.78 0.11 0.00 -0.04 0.00 0.00 63.50 64.34 1j1x n PRO 9 Cb 0.00 -2.62 -0.07 0.00 -0.04 0.00 0.00 33.50 30.77 1j1x n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1j1x n SER 10 N -0.26 0.74 -3.90 3.54 3.41 -1.26 -4.83 113.62 111.06 1j1x n SER 10 Ca 0.06 -0.66 -0.24 0.00 -0.26 0.00 0.00 58.87 57.77 1j1x n SER 10 Cb 0.42 1.06 -0.17 0.00 -0.26 0.00 0.00 64.21 65.26 1j1x n SER 10 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1j1x s LEU 11 N -3.37 1.19 0.16 1.04 2.96 -1.26 -0.87 118.68 118.52 1j1x s LEU 11 Ca 0.05 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 1j1x s LEU 11 Cb 0.16 -0.67 -0.05 0.00 0.50 0.00 0.00 46.19 46.13 1j1x s LEU 11 CO 0.85 -0.09 -0.05 0.68 -1.32 0.00 0.00 176.35 176.42 1j1x s VAL 12 N 1.37 0.93 0.08 1.68 -7.23 -0.54 -4.97 120.40 111.71 1j1x s VAL 12 Ca -0.03 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.14 1j1x s VAL 12 Cb -0.14 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 1j1x s VAL 12 CO -0.03 -0.64 0.18 -0.54 -0.31 0.00 0.00 175.10 173.76 1j1x s LYS 13 N -3.83 3.26 0.47 4.82 1.02 -1.26 -1.36 119.74 122.86 1j1x s LYS 13 Ca 0.19 -0.54 -0.23 0.00 0.02 0.00 0.00 55.97 55.41 1j1x s LYS 13 Cb 0.04 -2.93 -0.09 0.00 -0.52 0.00 0.00 37.83 34.34 1j1x s LYS 13 CO 0.02 0.58 1.08 -2.30 -0.92 0.00 0.00 175.35 173.81 1j1x n PRO 14 N 0.23 1.40 0.00 -1.68 -0.02 -1.26 -2.22 135.00 131.45 1j1x n PRO 14 Ca -0.06 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1j1x n PRO 14 Cb 0.52 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1j1x n PRO 14 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1j1x n SER 15 N 0.07 0.00 -4.51 2.55 2.88 0.96 -4.92 113.62 110.66 1j1x n SER 15 Ca 0.10 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.37 1j1x n SER 15 Cb 0.41 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.00 1j1x n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j1x s GLN 16 N -0.08 1.37 -0.23 -1.46 -2.07 -0.94 -3.88 119.66 112.37 1j1x s GLN 16 Ca 0.00 -0.68 -0.13 0.00 -1.82 0.00 0.00 55.36 52.74 1j1x s GLN 16 Cb 0.00 -2.11 -0.05 0.00 -1.09 0.00 0.00 33.01 29.76 1j1x s GLN 16 CO 0.00 -1.78 0.26 0.99 -1.32 0.00 0.00 175.29 173.44 1j1x s THR 17 N -3.45 5.28 -0.13 3.63 2.01 -1.26 -1.91 115.64 119.80 1j1x s THR 17 Ca 0.68 0.40 -0.21 0.00 0.31 0.00 0.00 61.69 62.86 1j1x s THR 17 Cb -0.06 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 1j1x s THR 17 CO 0.48 0.29 0.63 -0.22 -0.69 0.00 0.00 174.62 175.11 1j1x s LEU 18 N 1.29 4.23 -0.06 4.42 2.96 0.31 -4.89 118.68 126.94 1j1x s LEU 18 Ca 0.12 0.97 0.03 0.00 -0.22 0.00 0.00 54.13 55.03 1j1x s LEU 18 Cb -0.14 -2.94 0.01 0.00 0.50 0.00 0.00 46.19 43.62 1j1x s LEU 18 CO 0.07 -0.17 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.35 1j1x s SER 19 N 0.94 1.86 0.12 3.68 0.01 -1.26 -0.22 113.70 118.82 1j1x s SER 19 Ca 0.32 -0.31 0.06 0.00 1.31 0.00 0.00 55.95 57.33 1j1x s SER 19 Cb -0.16 -0.76 -0.04 0.00 0.21 0.00 0.00 66.02 65.27 1j1x s SER 19 CO 0.13 0.07 -0.15 -0.76 0.41 0.00 0.00 173.24 172.93 1j1x s LEU 20 N 0.48 2.37 0.00 2.44 1.02 0.05 -4.45 118.68 120.60 1j1x s LEU 20 Ca -0.12 -0.77 0.07 0.00 0.02 0.00 0.00 54.13 53.34 1j1x s LEU 20 Cb -0.14 -0.61 -0.02 0.00 0.02 0.00 0.00 46.19 45.44 1j1x s LEU 20 CO 0.03 -0.10 -0.22 -0.89 0.02 0.00 0.00 176.35 175.19 1j1x s THR 21 N -1.87 1.77 -0.22 5.49 2.01 -0.12 -1.43 115.64 121.27 1j1x s THR 21 Ca 0.07 -1.04 0.02 0.00 0.31 0.00 0.00 61.69 61.05 1j1x s THR 21 Cb -0.06 -1.49 0.05 0.00 0.01 0.00 0.00 72.50 71.00 1j1x s THR 21 CO 0.03 0.42 -0.12 0.00 -0.69 0.00 0.00 174.62 174.26 1j1x s SER 23 N 1.26 6.59 -0.17 0.00 0.01 -0.27 -1.63 113.70 119.50 1j1x s SER 23 Ca -0.03 0.70 -0.05 0.00 1.31 0.00 0.00 55.95 57.89 1j1x s SER 23 Cb -0.17 -2.27 -0.03 0.00 0.21 0.00 0.00 66.02 63.76 1j1x s SER 23 CO -0.08 -0.04 -0.01 -0.69 0.41 0.00 0.00 173.24 172.83 1j1x s VAL 24 N 0.92 4.06 -0.02 3.43 1.01 -0.77 -2.06 120.40 126.97 1j1x s VAL 24 Ca 0.23 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.97 1j1x s VAL 24 Cb -0.15 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 1j1x s VAL 24 CO 0.09 0.47 -0.16 -0.89 0.00 0.00 0.00 175.10 174.61 1j1x s THR 25 N 0.52 1.31 0.00 3.92 2.01 -0.12 -4.79 115.64 118.49 1j1x s THR 25 Ca -0.02 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.30 1j1x s THR 25 Cb -0.14 -1.11 0.00 0.00 0.01 0.00 0.00 72.50 71.26 1j1x s THR 25 CO 0.02 0.38 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 1j1x n GLY 26 N 2.86 2.52 3.61 4.40 0.00 -1.25 -0.01 105.19 117.32 1j1x n GLY 26 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 1j1x n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j1x s ASP 27 N -1.77 -0.20 0.35 1.61 3.68 -1.26 -4.62 116.67 114.47 1j1x s ASP 27 Ca 0.00 -0.14 -0.25 0.00 2.13 0.00 0.00 52.55 54.29 1j1x s ASP 27 Cb 0.00 0.32 -0.10 0.00 -1.45 0.00 0.00 42.92 41.69 1j1x s ASP 27 CO 0.00 -0.55 1.00 -0.55 0.13 0.00 0.00 175.17 175.20 1j1x s SER 28 N -2.64 7.09 0.35 -0.34 0.15 -1.26 -4.93 113.70 112.12 1j1x s SER 28 Ca 0.10 1.94 0.26 0.00 0.70 0.00 0.00 55.95 58.95 1j1x s SER 28 Cb 0.00 -2.58 1.22 0.00 -1.71 0.00 0.00 66.02 62.94 1j1x s SER 28 CO -0.04 -0.25 1.79 0.16 1.20 0.00 0.00 173.24 176.10 1j1x h ILE 29 N 2.45 0.00 0.00 6.45 3.07 -1.92 -1.79 117.51 125.78 1j1x h ILE 29 Ca -0.47 -0.19 0.00 0.00 1.55 0.00 0.00 64.86 65.75 1j1x h ILE 29 Cb 1.20 0.91 0.00 0.00 -0.27 0.00 0.00 36.82 38.66 1j1x h ILE 29 CO 0.64 0.00 0.00 0.35 -1.05 0.00 0.00 178.15 178.09 1j1x n THR 30 N -2.44 0.17 -0.99 0.16 -2.24 -1.26 -3.31 114.28 104.36 1j1x n THR 30 Ca 0.00 0.04 0.05 0.00 -2.27 0.00 0.00 64.05 61.88 1j1x n THR 30 Cb 0.17 -0.65 0.32 0.00 -2.10 0.00 0.00 70.33 68.08 1j1x n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1j1x n SER 31 N -1.20 4.74 -3.42 3.42 7.64 -0.67 -4.96 113.62 119.16 1j1x n SER 31 Ca 0.14 -3.06 -0.04 0.00 1.01 0.00 0.00 58.87 56.92 1j1x n SER 31 Cb 0.16 -0.64 0.01 0.00 -1.01 0.00 0.00 64.21 62.73 1j1x n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1j1x s ASP 32 N -1.36 -0.05 -0.06 6.43 -1.08 -1.21 -5.05 116.67 114.29 1j1x s ASP 32 Ca 0.50 -0.66 -0.03 0.00 -0.52 0.00 0.00 52.55 51.84 1j1x s ASP 32 Cb 0.39 0.55 -0.04 0.00 -1.46 0.00 0.00 42.92 42.36 1j1x s ASP 32 CO 0.12 -1.06 0.08 -0.31 0.52 0.00 0.00 175.17 174.51 1j1x s TYR 33 N -2.53 3.34 -0.04 -5.34 1.51 -1.26 -4.36 117.35 108.67 1j1x s TYR 33 Ca 0.18 0.29 0.06 0.00 -1.01 0.00 0.00 57.07 56.60 1j1x s TYR 33 Cb -0.03 -1.81 -0.01 0.00 -0.11 0.00 0.00 41.96 40.00 1j1x s TYR 33 CO 0.05 0.58 -0.23 -1.58 -1.11 0.00 0.00 175.55 173.26 1j1x s TRP 34 N -1.06 2.21 0.32 2.71 0.52 -0.41 -1.28 118.94 121.96 1j1x s TRP 34 Ca 0.18 -0.55 0.06 0.00 0.02 0.00 0.00 56.10 55.81 1j1x s TRP 34 Cb -0.12 -1.44 -0.06 0.00 -1.15 0.00 0.00 33.47 30.70 1j1x s TRP 34 CO 0.08 -0.13 -0.01 -1.12 0.02 0.00 0.00 176.95 175.79 1j1x s SER 35 N -0.31 2.86 -0.05 2.95 0.01 -0.08 -0.57 113.70 118.51 1j1x s SER 35 Ca 0.02 -1.29 0.02 0.00 1.31 0.00 0.00 55.95 56.01 1j1x s SER 35 Cb -0.11 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 65.94 1j1x s SER 35 CO 0.01 -0.45 -0.09 0.26 0.41 0.00 0.00 173.24 173.38 1j1x s TRP 36 N -3.05 1.08 0.03 2.43 0.52 -0.54 -2.41 118.94 117.00 1j1x s TRP 36 Ca 0.33 -0.34 0.03 0.00 0.02 0.00 0.00 56.10 56.15 1j1x s TRP 36 Cb 0.07 -0.82 -0.02 0.00 -1.15 0.00 0.00 33.47 31.54 1j1x s TRP 36 CO 0.14 -0.19 -0.10 0.42 0.02 0.00 0.00 176.95 177.24 1j1x s ILE 37 N 0.60 0.76 0.06 2.03 1.09 -0.22 -1.16 121.20 124.36 1j1x s ILE 37 Ca -0.10 -0.85 0.04 0.00 -1.10 0.00 0.00 60.65 58.63 1j1x s ILE 37 Cb -0.13 -0.72 -0.03 0.00 -1.06 0.00 0.00 42.46 40.51 1j1x s ILE 37 CO 0.02 -0.10 -0.11 0.00 -0.10 0.00 0.00 174.94 174.65 1j1x s ARG 38 N -1.06 0.70 -0.17 2.79 1.70 -0.54 -0.26 118.95 122.11 1j1x s ARG 38 Ca -0.02 -0.91 0.00 0.00 -0.47 0.00 0.00 55.73 54.33 1j1x s ARG 38 Cb -0.07 -0.54 0.01 0.00 -0.57 0.00 0.00 34.95 33.78 1j1x s ARG 38 CO 0.01 0.11 -0.17 0.21 -1.08 0.00 0.00 175.30 174.37 1j1x s LYS 39 N -1.87 3.11 0.56 3.89 2.20 0.13 -0.89 119.74 126.87 1j1x s LYS 39 Ca -0.04 -0.79 -0.07 0.00 -0.36 0.00 0.00 55.97 54.71 1j1x s LYS 39 Cb -0.09 -2.61 -0.02 0.00 -1.51 0.00 0.00 37.83 33.59 1j1x s LYS 39 CO 0.01 -0.11 0.90 -0.06 -0.36 0.00 0.00 175.35 175.73 1j1x s PHE 40 N 1.09 3.50 0.54 4.03 0.08 0.60 -1.17 117.98 126.65 1j1x s PHE 40 Ca -0.00 0.93 0.46 0.00 0.12 0.00 0.00 56.93 58.43 1j1x s PHE 40 Cb -0.14 -2.56 1.68 0.00 -0.57 0.00 0.00 43.02 41.43 1j1x s PHE 40 CO -0.06 -0.56 1.59 -1.35 -0.10 0.00 0.00 175.22 174.74 1j1x h PRO 41 N -0.07 0.01 -1.54 0.24 0.11 -1.88 -2.65 132.00 126.22 1j1x h PRO 41 Ca -0.46 -0.00 -0.69 0.00 0.11 0.00 0.00 66.00 64.96 1j1x h PRO 41 Cb 1.21 -0.00 -0.32 0.00 0.11 0.00 0.00 31.00 32.01 1j1x h PRO 41 CO 0.62 0.00 0.53 0.41 -0.21 0.00 0.00 178.00 179.35 1j1x n GLY 42 N -1.84 5.78 3.96 -0.55 0.00 -1.26 -4.88 105.19 106.41 1j1x n GLY 42 Ca 0.42 -2.50 -0.31 0.00 0.00 0.00 0.00 46.02 43.63 1j1x n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1j1x n ASN 43 N -0.64 -4.64 -4.36 1.61 3.02 -1.00 -4.95 115.26 104.29 1j1x n ASN 43 Ca 0.53 -0.81 -0.37 0.00 -0.03 0.00 0.00 54.58 53.90 1j1x n ASN 43 Cb 0.49 -3.73 -0.13 0.00 -0.61 0.00 0.00 39.78 35.79 1j1x n ASN 43 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1j1x s ARG 44 N -6.67 3.26 -0.06 3.52 3.52 -1.22 -4.96 118.95 116.34 1j1x s ARG 44 Ca 0.68 -0.74 -0.08 0.00 -0.13 0.00 0.00 55.73 55.46 1j1x s ARG 44 Cb -0.34 -3.32 -0.05 0.00 -1.56 0.00 0.00 34.95 29.68 1j1x s ARG 44 CO 0.84 -0.35 0.23 -0.51 -0.81 0.00 0.00 175.30 174.70 1j1x s LEU 45 N 1.52 4.40 -0.05 -0.88 1.43 -1.26 -0.29 118.68 123.56 1j1x s LEU 45 Ca 0.04 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 53.74 1j1x s LEU 45 Cb -0.16 -2.34 0.02 0.00 0.03 0.00 0.00 46.19 43.74 1j1x s LEU 45 CO 0.02 0.35 -0.06 -0.70 0.23 0.00 0.00 176.35 176.19 1j1x s GLU 46 N -1.24 1.01 -0.35 1.70 2.12 -0.07 -5.00 118.70 116.87 1j1x s GLU 46 Ca 0.20 -0.17 -0.23 0.00 0.36 0.00 0.00 54.97 55.13 1j1x s GLU 46 Cb -0.13 -0.96 0.01 0.00 0.26 0.00 0.00 34.13 33.30 1j1x s GLU 46 CO 0.09 -0.07 0.79 -0.47 -0.54 0.00 0.00 175.26 175.07 1j1x s TYR 47 N 0.89 3.13 -0.01 5.30 6.14 -1.26 -1.46 117.35 130.08 1j1x s TYR 47 Ca -0.11 0.63 -0.20 0.00 0.64 0.00 0.00 57.07 58.03 1j1x s TYR 47 Cb -0.15 -3.36 -0.28 0.00 0.42 0.00 0.00 41.96 38.59 1j1x s TYR 47 CO 0.01 -0.69 1.01 0.52 0.64 0.00 0.00 175.55 177.03 1j1x h MET 48 N 8.38 0.40 0.00 4.97 2.86 -1.50 -3.40 114.93 126.64 1j1x h MET 48 Ca -0.25 -0.55 0.00 0.00 -2.06 0.00 0.00 59.70 56.84 1j1x h MET 48 Cb 1.09 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.94 1j1x h MET 48 CO 0.91 1.22 0.00 0.41 1.06 0.00 0.00 176.91 180.51 1j1x n GLY 49 N 1.40 -0.06 3.27 8.32 0.00 -1.16 -0.89 105.19 116.06 1j1x n GLY 49 Ca -0.13 -1.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.56 1j1x n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1j1x s TYR 50 N -2.00 -0.05 -0.12 1.61 1.13 -0.52 -1.47 117.35 115.93 1j1x s TYR 50 Ca 0.00 -0.30 0.03 0.00 -1.41 0.00 0.00 57.07 55.39 1j1x s TYR 50 Cb 0.00 0.12 0.00 0.00 -1.10 0.00 0.00 41.96 40.98 1j1x s TYR 50 CO 0.00 -0.62 -0.23 0.54 -2.51 0.00 0.00 175.55 172.73 1j1x s VAL 51 N -3.73 2.10 0.57 -3.49 0.11 0.27 -1.55 120.40 114.67 1j1x s VAL 51 Ca 0.03 -0.99 0.05 0.00 -2.93 0.00 0.00 61.98 58.15 1j1x s VAL 51 Cb 0.03 -1.82 0.07 0.00 -1.53 0.00 0.00 36.38 33.13 1j1x s VAL 51 CO -0.11 0.55 0.79 -0.94 -3.33 0.00 0.00 175.10 172.06 1j1x s SER 52 N 0.55 5.07 0.53 3.54 1.04 -0.42 -1.28 113.70 122.73 1j1x s SER 52 Ca -0.13 -0.50 0.29 0.00 0.48 0.00 0.00 55.95 56.08 1j1x s SER 52 Cb -0.17 -0.18 1.43 0.00 0.10 0.00 0.00 66.02 67.21 1j1x s SER 52 CO 0.04 -1.31 1.92 0.10 0.98 0.00 0.00 173.24 174.98 1j1x h TYR 53 N 0.09 0.03 -0.00 5.02 -0.00 -1.89 -0.70 116.97 119.53 1j1x h TYR 53 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.38 1j1x h TYR 53 Cb 1.28 -0.01 0.00 0.00 -0.00 0.00 0.00 36.73 38.00 1j1x h TYR 53 CO 0.26 0.01 -0.08 -1.13 -0.00 0.00 0.00 178.16 177.22 1j1x n SER 54 N -4.32 0.12 0.00 0.10 3.41 -1.26 -4.88 113.62 106.79 1j1x n SER 54 Ca 0.16 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1j1x n SER 54 Cb 0.83 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1j1x n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j1x n GLY 55 N 1.44 0.25 3.77 5.00 0.00 -0.27 -5.06 105.19 110.32 1j1x n GLY 55 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1j1x n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j1x s SER 56 N -1.97 6.16 0.19 1.61 1.04 -1.26 -4.77 113.70 114.70 1j1x s SER 56 Ca 0.00 2.61 0.11 0.00 0.48 0.00 0.00 55.95 59.14 1j1x s SER 56 Cb 0.00 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.44 1j1x s SER 56 CO 0.00 -0.95 -0.22 0.42 0.98 0.00 0.00 173.24 173.47 1j1x s THR 57 N -1.31 2.20 -0.09 2.02 -4.23 -1.26 -1.30 115.64 111.66 1j1x s THR 57 Ca 0.60 -2.02 -0.01 0.00 -1.18 0.00 0.00 61.69 59.08 1j1x s THR 57 Cb -0.37 -2.05 0.03 0.00 1.34 0.00 0.00 72.50 71.45 1j1x s THR 57 CO 0.46 -0.19 -0.04 -0.31 -0.54 0.00 0.00 174.62 174.00 1j1x s TYR 58 N -1.83 1.07 0.06 3.99 2.02 -0.60 -5.01 117.35 117.06 1j1x s TYR 58 Ca 0.20 -0.44 0.09 0.00 -0.37 0.00 0.00 57.07 56.54 1j1x s TYR 58 Cb -0.07 -1.00 -0.03 0.00 -0.40 0.00 0.00 41.96 40.46 1j1x s TYR 58 CO 0.09 -0.40 -0.24 0.71 -1.57 0.00 0.00 175.55 174.14 1j1x s TYR 59 N 1.74 2.40 0.02 2.71 2.02 -1.26 -1.44 117.35 123.53 1j1x s TYR 59 Ca 0.03 -0.36 -0.30 0.00 -0.37 0.00 0.00 57.07 56.07 1j1x s TYR 59 Cb -0.13 -1.39 -0.06 0.00 -0.40 0.00 0.00 41.96 39.98 1j1x s TYR 59 CO -0.06 0.20 1.45 1.21 -1.57 0.00 0.00 175.55 176.78 1j1x s ASN 60 N -1.44 6.80 0.66 2.29 3.84 -0.07 -4.87 114.94 122.16 1j1x s ASN 60 Ca 0.13 2.20 0.33 0.00 0.21 0.00 0.00 52.86 55.73 1j1x s ASN 60 Cb -0.10 -2.56 1.80 0.00 -0.55 0.00 0.00 41.25 39.84 1j1x s ASN 60 CO 0.04 -0.75 2.02 -0.65 -2.79 0.00 0.00 177.10 174.97 1j1x h PRO 61 N 7.86 0.00 0.00 0.43 0.11 -1.94 -0.61 132.00 137.85 1j1x h PRO 61 Ca -0.39 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 1j1x h PRO 61 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1j1x h PRO 61 CO 0.91 0.00 -0.06 0.66 -0.21 0.00 0.00 178.00 179.30 1j1x h SER 62 N 0.00 0.00 0.20 -2.05 4.64 -1.97 -1.98 113.55 112.39 1j1x h SER 62 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j1x h SER 62 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1j1x h SER 62 CO 0.00 0.06 -0.05 0.18 -0.87 0.00 0.00 176.83 176.15 1j1x n LEU 63 N -3.59 0.50 -4.09 5.97 4.77 -0.24 -4.94 117.00 115.38 1j1x n LEU 63 Ca -0.02 -0.07 -0.33 0.00 -0.03 0.00 0.00 56.01 55.56 1j1x n LEU 63 Cb 0.17 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1j1x n LEU 63 CO 0.28 0.09 -0.03 0.29 -1.33 0.00 0.00 177.39 176.68 1j1x n LYS 64 N -0.77 -3.80 -3.82 3.23 4.76 -0.75 -1.77 118.16 115.25 1j1x n LYS 64 Ca 0.18 0.44 -0.28 0.00 -2.87 0.00 0.00 58.31 55.77 1j1x n LYS 64 Cb 0.24 -5.10 0.04 0.00 -1.84 0.00 0.00 35.03 28.37 1j1x n LYS 64 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1j1x n SER 65 N -2.76 -5.31 -0.70 4.39 7.64 -1.26 -4.85 113.62 110.76 1j1x n SER 65 Ca -0.01 -0.71 0.10 0.00 1.01 0.00 0.00 58.87 59.27 1j1x n SER 65 Cb 0.54 -4.24 0.06 0.00 -1.01 0.00 0.00 64.21 59.55 1j1x n SER 65 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1j1x n ARG 66 N -4.79 1.74 -4.16 1.43 1.74 -0.73 -4.98 116.66 106.91 1j1x n ARG 66 Ca 0.03 -1.46 -0.33 0.00 -0.77 0.00 0.00 57.85 55.32 1j1x n ARG 66 Cb 0.54 -1.39 -0.08 0.00 -1.02 0.00 0.00 32.46 30.51 1j1x n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1j1x s ILE 67 N -1.90 4.53 -0.02 0.55 2.07 -1.26 -0.34 121.20 124.83 1j1x s ILE 67 Ca 0.22 -0.48 0.00 0.00 -1.41 0.00 0.00 60.65 58.97 1j1x s ILE 67 Cb 0.17 -3.06 0.02 0.00 0.13 0.00 0.00 42.46 39.72 1j1x s ILE 67 CO 0.34 0.35 0.01 -0.55 -1.91 0.00 0.00 174.94 173.18 1j1x s SER 68 N -1.70 0.22 -0.15 4.50 0.15 -0.27 -4.99 113.70 111.46 1j1x s SER 68 Ca 0.22 0.00 0.01 0.00 0.70 0.00 0.00 55.95 56.88 1j1x s SER 68 Cb -0.12 -0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.09 1j1x s SER 68 CO 0.13 -0.09 -0.17 -0.63 1.20 0.00 0.00 173.24 173.68 1j1x s ILE 69 N 0.85 1.76 0.26 6.45 1.01 -1.26 -0.93 121.20 129.33 1j1x s ILE 69 Ca -0.08 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.84 1j1x s ILE 69 Cb -0.11 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 1j1x s ILE 69 CO -0.02 0.49 0.02 0.42 0.00 0.00 0.00 174.94 175.86 1j1x s THR 70 N 1.23 1.01 0.15 2.92 -4.23 -1.10 -4.95 115.64 110.68 1j1x s THR 70 Ca 0.01 -2.02 0.05 0.00 -1.18 0.00 0.00 61.69 58.55 1j1x s THR 70 Cb -0.14 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 1j1x s THR 70 CO -0.08 -0.20 -0.12 -0.13 -0.54 0.00 0.00 174.62 173.55 1j1x s ARG 71 N -3.89 1.09 -0.29 3.99 0.52 -1.26 0.02 118.95 119.12 1j1x s ARG 71 Ca 0.32 -1.42 -0.03 0.00 -0.52 0.00 0.00 55.73 54.08 1j1x s ARG 71 Cb 0.07 -0.76 0.11 0.00 0.52 0.00 0.00 34.95 34.88 1j1x s ARG 71 CO 0.11 0.11 0.16 0.34 0.02 0.00 0.00 175.30 176.05 1j1x s ASP 72 N -3.01 3.16 0.14 0.23 -1.08 -0.50 -4.99 116.67 110.61 1j1x s ASP 72 Ca 0.16 -1.23 -0.18 0.00 -0.52 0.00 0.00 52.55 50.78 1j1x s ASP 72 Cb 0.00 -0.19 -0.01 0.00 -1.46 0.00 0.00 42.92 41.26 1j1x s ASP 72 CO 0.02 -0.42 1.77 0.74 0.52 0.00 0.00 175.17 177.79 1j1x h THR 73 N 6.32 0.98 -0.87 1.71 2.02 -1.97 -0.77 112.91 120.34 1j1x h THR 73 Ca -0.18 -0.09 0.20 0.00 0.77 0.00 0.00 66.41 67.11 1j1x h THR 73 Cb 1.02 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 68.05 1j1x h THR 73 CO 0.41 0.05 0.58 0.77 0.37 0.00 0.00 175.52 177.70 1j1x h SER 74 N 0.27 0.36 -0.02 4.18 4.64 -1.96 0.99 113.55 122.02 1j1x h SER 74 Ca 0.11 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1j1x h SER 74 Cb 0.04 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1j1x h SER 74 CO -0.09 0.15 -0.19 0.29 -0.87 0.00 0.00 176.83 176.13 1j1x n LYS 75 N -4.48 1.86 -3.84 4.77 5.02 -1.05 -4.99 118.16 115.45 1j1x n LYS 75 Ca 0.18 -1.54 -0.28 0.00 -2.02 0.00 0.00 58.31 54.65 1j1x n LYS 75 Cb 0.69 -1.46 0.01 0.00 -0.02 0.00 0.00 35.03 34.25 1j1x n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1j1x n ASN 76 N 0.79 -2.18 -3.81 4.39 4.05 0.34 -4.83 115.26 114.02 1j1x n ASN 76 Ca 0.12 -1.00 -0.10 0.00 0.45 0.00 0.00 54.58 54.05 1j1x n ASN 76 Cb 0.54 -3.22 -0.06 0.00 1.23 0.00 0.00 39.78 38.27 1j1x n ASN 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1j1x s GLN 77 N -6.33 1.14 0.29 1.20 -2.07 -1.06 -1.84 119.66 110.98 1j1x s GLN 77 Ca 0.18 -0.95 0.03 0.00 -1.82 0.00 0.00 55.36 52.80 1j1x s GLN 77 Cb -0.07 0.43 -0.06 0.00 -1.09 0.00 0.00 33.01 32.23 1j1x s GLN 77 CO 0.87 -0.44 0.04 1.52 -1.32 0.00 0.00 175.29 175.97 1j1x s TYR 78 N -3.89 1.78 0.20 9.60 1.13 -0.64 -1.42 117.35 124.12 1j1x s TYR 78 Ca 0.10 -0.97 0.02 0.00 -1.41 0.00 0.00 57.07 54.81 1j1x s TYR 78 Cb 0.02 -1.10 -0.05 0.00 -1.10 0.00 0.00 41.96 39.73 1j1x s TYR 78 CO -0.05 -0.05 0.01 0.71 -2.51 0.00 0.00 175.55 173.65 1j1x s TYR 79 N -3.40 1.36 -0.09 -3.49 2.02 0.10 -1.03 117.35 112.82 1j1x s TYR 79 Ca 0.34 -1.00 -0.00 0.00 -0.37 0.00 0.00 57.07 56.04 1j1x s TYR 79 Cb 0.07 -0.78 0.02 0.00 -0.40 0.00 0.00 41.96 40.88 1j1x s TYR 79 CO 0.13 -0.17 -0.06 -1.17 -1.57 0.00 0.00 175.55 172.71 1j1x s LEU 80 N -3.23 1.12 -0.09 -1.29 2.96 -0.51 -2.70 118.68 114.93 1j1x s LEU 80 Ca 0.27 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 53.99 1j1x s LEU 80 Cb 0.06 -0.70 -0.00 0.00 0.50 0.00 0.00 46.19 46.05 1j1x s LEU 80 CO 0.06 -0.11 -0.24 -1.81 -1.32 0.00 0.00 176.35 172.94 1j1x s ASP 81 N 1.54 3.13 -0.20 3.68 1.01 -0.11 -0.77 116.67 124.96 1j1x s ASP 81 Ca 0.01 -0.54 -0.01 0.00 0.71 0.00 0.00 52.55 52.72 1j1x s ASP 81 Cb -0.13 -1.31 0.06 0.00 1.01 0.00 0.00 42.92 42.54 1j1x s ASP 81 CO -0.05 0.18 -0.01 -0.22 0.21 0.00 0.00 175.17 175.28 1j1x s LEU 82 N 0.24 1.72 0.56 1.23 2.96 0.70 -1.12 118.68 124.97 1j1x s LEU 82 Ca -0.16 -0.89 -0.12 0.00 -0.22 0.00 0.00 54.13 52.74 1j1x s LEU 82 Cb -0.17 -0.85 -0.05 0.00 0.50 0.00 0.00 46.19 45.62 1j1x s LEU 82 CO 0.08 -0.26 0.98 0.20 -1.32 0.00 0.00 176.35 176.03 1j1x s ASN 83 N 1.66 6.37 -1.24 3.68 0.01 0.53 -0.53 114.94 125.43 1j1x s ASN 83 Ca -0.02 1.41 -0.31 0.00 -0.71 0.00 0.00 52.86 53.23 1j1x s ASN 83 Cb -0.17 -2.46 0.04 0.00 0.41 0.00 0.00 41.25 39.07 1j1x s ASN 83 CO -0.07 -0.73 0.64 -1.20 -1.51 0.00 0.00 177.10 174.23 1j1x n SER 84 N -2.27 -3.82 -4.76 -1.22 7.64 -1.05 -4.91 113.62 103.24 1j1x n SER 84 Ca 0.06 -1.28 -0.32 0.00 1.01 0.00 0.00 58.87 58.34 1j1x n SER 84 Cb 0.54 -1.81 0.07 0.00 -1.01 0.00 0.00 64.21 62.00 1j1x n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1j1x s VAL 85 N -3.59 3.17 0.37 0.44 -7.23 -0.80 -4.59 120.40 108.16 1j1x s VAL 85 Ca 0.45 0.47 0.05 0.00 -1.81 0.00 0.00 61.98 61.15 1j1x s VAL 85 Cb -0.24 -2.96 -0.03 0.00 0.56 0.00 0.00 36.38 33.71 1j1x s VAL 85 CO 0.97 -0.41 0.19 0.42 -0.31 0.00 0.00 175.10 175.96 1j1x s THR 86 N -2.55 0.32 0.30 5.32 -4.23 -1.26 -0.02 115.64 113.52 1j1x s THR 86 Ca 0.65 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.52 1j1x s THR 86 Cb -0.20 -2.41 0.37 0.00 1.34 0.00 0.00 72.50 71.60 1j1x s THR 86 CO 0.48 0.00 2.10 0.71 -0.54 0.00 0.00 174.62 177.37 1j1x h THR 87 N 1.96 0.00 0.00 3.99 1.35 -1.98 -0.11 112.91 118.12 1j1x h THR 87 Ca -0.31 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1j1x h THR 87 Cb 1.26 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1j1x h THR 87 CO 0.48 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.13 1j1x n GLU 88 N -2.82 0.04 -0.09 4.72 -0.58 -1.26 -2.46 120.64 118.19 1j1x n GLU 88 Ca -0.02 0.17 0.12 0.00 -0.42 0.00 0.00 57.16 57.01 1j1x n GLU 88 Cb 0.10 -1.50 0.24 0.00 -0.57 0.00 0.00 31.44 29.71 1j1x n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1j1x n ASP 89 N -1.47 2.79 -4.71 1.62 8.00 -0.05 -4.90 116.55 117.84 1j1x n ASP 89 Ca 0.05 -1.89 -0.42 0.00 0.71 0.00 0.00 54.79 53.24 1j1x n ASP 89 Cb 0.21 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 1j1x n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1j1x s THR 90 N -1.75 3.33 -0.10 -3.53 2.01 -1.03 -4.84 115.64 109.73 1j1x s THR 90 Ca 0.34 0.89 -0.32 0.00 0.31 0.00 0.00 61.69 62.91 1j1x s THR 90 Cb 0.21 -3.57 0.13 0.00 0.01 0.00 0.00 72.50 69.28 1j1x s THR 90 CO 0.30 0.04 1.42 0.00 -0.69 0.00 0.00 174.62 175.69 1j1x s ALA 91 N 1.60 -2.64 -0.27 7.40 0.00 -0.83 -4.62 121.76 122.41 1j1x s ALA 91 Ca 0.66 0.65 -0.14 0.00 0.00 0.00 0.00 51.96 53.12 1j1x s ALA 91 Cb -0.36 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1j1x s ALA 91 CO 0.30 -1.11 0.35 0.99 0.00 0.00 0.00 175.76 176.28 1j1x s THR 92 N -2.01 5.20 -0.15 0.00 2.01 -0.31 -1.24 115.64 119.13 1j1x s THR 92 Ca 0.22 0.52 -0.10 0.00 0.31 0.00 0.00 61.69 62.64 1j1x s THR 92 Cb 0.05 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 1j1x s THR 92 CO -0.05 0.18 0.19 -0.31 -0.69 0.00 0.00 174.62 173.94 1j1x s TYR 93 N 1.97 3.50 0.05 4.92 1.51 0.30 -0.69 117.35 128.91 1j1x s TYR 93 Ca 0.14 0.50 0.06 0.00 -1.01 0.00 0.00 57.07 56.76 1j1x s TYR 93 Cb -0.16 -2.15 -0.02 0.00 -0.11 0.00 0.00 41.96 39.52 1j1x s TYR 93 CO 0.10 0.43 -0.17 0.71 -1.11 0.00 0.00 175.55 175.51 1j1x s TYR 94 N -0.12 1.45 0.07 2.71 1.51 0.64 -0.60 117.35 123.01 1j1x s TYR 94 Ca 0.13 -0.37 0.06 0.00 -1.01 0.00 0.00 57.07 55.89 1j1x s TYR 94 Cb -0.12 -0.85 -0.04 0.00 -0.11 0.00 0.00 41.96 40.84 1j1x s TYR 94 CO 0.02 0.07 -0.10 0.00 -1.11 0.00 0.00 175.55 174.43 1j1x s ALA 96 N -1.14 -1.66 0.68 0.00 0.00 -1.01 -0.52 121.76 118.11 1j1x s ALA 96 Ca 0.20 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 52.76 1j1x s ALA 96 Cb -0.11 0.65 -0.00 0.00 0.00 0.00 0.00 23.12 23.66 1j1x s ALA 96 CO 0.12 -0.69 1.06 0.54 0.00 0.00 0.00 175.76 176.79 1j1x s ASN 97 N -2.43 5.61 0.36 0.00 6.03 -0.67 -0.90 114.94 122.94 1j1x s ASN 97 Ca -0.00 1.39 0.08 0.00 -1.03 0.00 0.00 52.86 53.30 1j1x s ASN 97 Cb -0.01 -2.30 0.80 0.00 -3.03 0.00 0.00 41.25 36.71 1j1x s ASN 97 CO -0.09 -1.27 1.89 -0.25 -2.03 0.00 0.00 177.10 175.36 1j1x h TRP 98 N -0.60 0.80 0.00 1.54 7.01 -1.52 -1.31 115.95 121.87 1j1x h TRP 98 Ca -0.45 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 60.55 1j1x h TRP 98 Cb 1.22 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 28.02 1j1x h TRP 98 CO 0.59 0.32 -0.14 -0.44 -2.79 0.00 0.00 178.44 175.98 1j1x h ASP 99 N 0.70 0.00 0.00 2.65 3.32 -1.92 -3.47 116.42 117.71 1j1x h ASP 99 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1j1x h ASP 99 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1j1x h ASP 99 CO -0.18 0.14 0.00 0.61 -1.72 0.00 0.00 179.24 178.09 1j1x n GLY 100 N -0.35 0.70 0.07 2.75 0.00 -0.49 -4.94 105.19 102.92 1j1x n GLY 100 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1j1x n GLY 100 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j1x h ASP 101 N 0.00 0.07 -3.19 1.61 3.32 -1.90 -3.45 116.42 112.87 1j1x h ASP 101 Ca 0.00 -0.08 -0.67 0.00 0.02 0.00 0.00 57.03 56.30 1j1x h ASP 101 Cb 0.00 -0.02 -0.33 0.00 0.22 0.00 0.00 39.33 39.19 1j1x h ASP 101 CO 0.00 1.06 -0.85 -0.31 -1.72 0.00 0.00 179.24 177.42 1j1x s TYR 102 N -2.69 2.71 0.12 4.55 2.02 -1.26 -5.04 117.35 117.76 1j1x s TYR 102 Ca -0.01 -1.34 0.07 0.00 -0.37 0.00 0.00 57.07 55.42 1j1x s TYR 102 Cb 0.09 -1.85 -0.04 0.00 -0.40 0.00 0.00 41.96 39.77 1j1x s TYR 102 CO 0.83 -0.62 -0.17 -1.58 -1.57 0.00 0.00 175.55 172.44 1j1x s TRP 103 N 0.91 1.58 0.91 2.71 0.52 -1.26 -1.67 118.94 122.62 1j1x s TRP 103 Ca -0.04 -0.49 -0.12 0.00 0.02 0.00 0.00 56.10 55.47 1j1x s TRP 103 Cb -0.15 -0.83 0.19 0.00 -1.15 0.00 0.00 33.47 31.53 1j1x s TRP 103 CO -0.04 0.20 1.24 0.20 0.02 0.00 0.00 176.95 178.57 1j1x s GLY 104 N -2.29 1.78 0.25 0.98 0.00 0.33 -4.50 107.32 103.86 1j1x s GLY 104 Ca 0.09 -1.37 0.26 0.00 0.00 0.00 0.00 44.72 43.69 1j1x s GLY 104 CO 0.04 -0.64 1.75 0.06 0.00 0.00 0.00 173.10 174.32 1j1x h GLN 105 N -1.37 0.00 0.00 2.90 3.07 -1.90 -3.45 115.11 114.36 1j1x h GLN 105 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.32 1j1x h GLN 105 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.80 1j1x h GLN 105 CO 0.37 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.70 1j1x n GLY 106 N 1.08 -0.54 2.78 0.06 0.00 -1.26 -5.05 105.19 102.26 1j1x n GLY 106 Ca 0.05 -1.42 -0.16 0.00 0.00 0.00 0.00 46.02 44.48 1j1x n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j1x s THR 107 N -2.23 -0.09 -0.04 2.61 -1.32 0.23 -4.93 115.64 109.87 1j1x s THR 107 Ca 0.00 0.28 -0.30 0.00 -1.21 0.00 0.00 61.69 60.46 1j1x s THR 107 Cb 0.00 -0.15 -0.03 0.00 -1.51 0.00 0.00 72.50 70.81 1j1x s THR 107 CO 0.00 0.12 1.05 -0.22 -2.21 0.00 0.00 174.62 173.36 1j1x s LEU 108 N 1.51 4.31 -0.15 9.08 2.96 -1.26 -0.54 118.68 134.59 1j1x s LEU 108 Ca -0.04 1.68 0.01 0.00 -0.22 0.00 0.00 54.13 55.56 1j1x s LEU 108 Cb -0.12 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.02 1j1x s LEU 108 CO -0.04 -0.40 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.73 1j1x s VAL 109 N 1.57 1.76 -0.15 1.68 1.01 -0.37 -4.60 120.40 121.30 1j1x s VAL 109 Ca 0.52 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 1j1x s VAL 109 Cb -0.22 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1j1x s VAL 109 CO 0.24 0.49 -0.02 -0.89 0.00 0.00 0.00 175.10 174.92 1j1x s THR 110 N 1.25 4.08 -0.34 3.92 2.01 -0.05 -1.96 115.64 124.54 1j1x s THR 110 Ca 0.01 -0.29 -0.12 0.00 0.31 0.00 0.00 61.69 61.60 1j1x s THR 110 Cb -0.14 -2.79 -0.01 0.00 0.01 0.00 0.00 72.50 69.57 1j1x s THR 110 CO -0.08 0.50 0.22 -0.69 -0.69 0.00 0.00 174.62 173.88 1j1x s VAL 111 N 0.24 5.14 -0.07 3.82 1.01 -1.26 -1.47 120.40 127.81 1j1x s VAL 111 Ca -0.01 -0.27 -0.14 0.00 0.00 0.00 0.00 61.98 61.56 1j1x s VAL 111 Cb -0.14 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.63 1j1x s VAL 111 CO 0.02 0.00 0.33 -0.55 0.00 0.00 0.00 175.10 174.91 1j1x s SER 112 N 1.70 -0.27 0.57 3.32 0.15 -0.47 -4.54 113.70 114.16 1j1x s SER 112 Ca 0.06 0.37 0.37 0.00 0.70 0.00 0.00 55.95 57.45 1j1x s SER 112 Cb -0.17 0.49 1.76 0.00 -1.71 0.00 0.00 66.02 66.39 1j1x s SER 112 CO 0.10 -0.30 2.11 0.00 1.20 0.00 0.00 173.24 176.34 1j1x h ALA 113 N 4.63 1.00 -0.01 5.45 0.00 -1.96 -3.38 119.26 124.98 1j1x h ALA 113 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1j1x h ALA 113 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1j1x h ALA 113 CO 0.35 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.60