#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jx1 s ILE 5 N 0.00 4.30 0.19 -1.33 2.07 -1.26 -5.06 121.20 120.12 1jx1 s ILE 5 Ca 0.00 1.75 0.05 0.00 -1.41 0.00 0.00 60.65 61.05 1jx1 s ILE 5 Cb 0.00 -4.13 -0.04 0.00 0.13 0.00 0.00 42.46 38.43 1jx1 s ILE 5 CO 0.00 0.42 0.16 0.42 -1.91 0.00 0.00 174.94 174.04 1jx1 s THR 6 N -1.27 4.52 0.52 4.00 -4.23 -1.26 -4.88 115.64 113.04 1jx1 s THR 6 Ca 0.40 -1.15 -0.13 0.00 -1.18 0.00 0.00 61.69 59.62 1jx1 s THR 6 Cb -0.22 -3.35 -0.06 0.00 1.34 0.00 0.00 72.50 70.20 1jx1 s THR 6 CO 0.26 -0.18 0.95 0.00 -0.54 0.00 0.00 174.62 175.11 1jx1 s ALA 7 N -1.86 3.14 -0.04 3.99 0.00 -1.26 -4.42 121.76 121.31 1jx1 s ALA 7 Ca 0.32 0.00 0.07 0.00 0.00 0.00 0.00 51.96 52.34 1jx1 s ALA 7 Cb -0.09 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 1jx1 s ALA 7 CO 0.24 -0.33 -0.25 0.42 0.00 0.00 0.00 175.76 175.85 1jx1 s ILE 8 N -2.74 1.98 -0.08 0.00 1.01 -0.84 -4.93 121.20 115.61 1jx1 s ILE 8 Ca 0.56 -1.05 0.03 0.00 0.00 0.00 0.00 60.65 60.20 1jx1 s ILE 8 Cb -0.10 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 1jx1 s ILE 8 CO 0.38 0.56 -0.18 -0.89 0.00 0.00 0.00 174.94 174.80 1jx1 s THR 9 N -0.33 2.63 -0.14 2.92 2.01 -1.26 -1.08 115.64 120.39 1jx1 s THR 9 Ca 0.02 -0.85 -0.01 0.00 0.31 0.00 0.00 61.69 61.16 1jx1 s THR 9 Cb -0.12 -2.03 0.04 0.00 0.01 0.00 0.00 72.50 70.40 1jx1 s THR 9 CO 0.02 0.56 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.79 1jx1 s VAL 10 N -0.15 0.82 -1.43 3.82 1.01 -0.73 -4.85 120.40 118.89 1jx1 s VAL 10 Ca -0.02 -0.40 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1jx1 s VAL 10 Cb -0.14 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.21 1jx1 s VAL 10 CO 0.04 0.12 0.33 -0.62 0.00 0.00 0.00 175.10 174.97 1jx1 n GLU 11 N 4.98 -2.77 -1.34 2.72 -0.58 -1.26 -0.28 120.64 122.11 1jx1 n GLU 11 Ca -0.10 0.34 -0.12 0.00 -0.42 0.00 0.00 57.16 56.86 1jx1 n GLU 11 Cb 0.48 -4.32 -0.05 0.00 -0.57 0.00 0.00 31.44 26.99 1jx1 n GLU 11 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1jx1 n ASN 12 N -2.96 -4.61 -4.08 1.62 3.02 -1.26 -4.98 115.26 102.01 1jx1 n ASN 12 Ca -0.32 0.29 -0.33 0.00 -0.03 0.00 0.00 54.58 54.20 1jx1 n ASN 12 Cb 0.69 -3.14 -0.14 0.00 -0.61 0.00 0.00 39.78 36.57 1jx1 n ASN 12 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jx1 s LEU 13 N -2.66 3.98 0.09 3.41 2.01 0.62 -5.10 118.68 121.03 1jx1 s LEU 13 Ca 0.00 -1.60 -0.26 0.00 0.01 0.00 0.00 54.13 52.28 1jx1 s LEU 13 Cb 0.00 -1.62 -0.06 0.00 0.01 0.00 0.00 46.19 44.52 1jx1 s LEU 13 CO 0.00 -0.27 0.81 -0.70 1.01 0.00 0.00 176.35 177.19 1jx1 s GLU 14 N 1.09 4.56 -0.33 1.70 2.12 -1.26 -1.76 118.70 124.81 1jx1 s GLU 14 Ca -0.02 1.17 0.02 0.00 0.36 0.00 0.00 54.97 56.49 1jx1 s GLU 14 Cb -0.20 -3.34 0.09 0.00 0.26 0.00 0.00 34.13 30.94 1jx1 s GLU 14 CO -0.05 0.34 0.04 0.71 -0.54 0.00 0.00 175.26 175.76 1jx1 s TYR 15 N -0.31 3.56 0.77 5.30 1.51 -0.24 -5.02 117.35 122.93 1jx1 s TYR 15 Ca 0.40 -2.59 -0.15 0.00 -1.01 0.00 0.00 57.07 53.72 1jx1 s TYR 15 Cb -0.22 -2.68 0.04 0.00 -0.11 0.00 0.00 41.96 38.99 1jx1 s TYR 15 CO 0.25 -0.92 1.04 -2.30 -1.11 0.00 0.00 175.55 172.51 1jx1 n PRO 16 N 4.41 0.32 0.17 -1.71 -0.02 -1.26 -1.99 135.00 134.91 1jx1 n PRO 16 Ca -0.03 0.17 0.04 0.00 -2.02 0.00 0.00 63.50 61.67 1jx1 n PRO 16 Cb 0.42 -2.30 0.24 0.00 -0.02 0.00 0.00 33.50 31.84 1jx1 n PRO 16 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jx1 h ALA 17 N -0.62 0.88 -4.07 3.55 0.00 -1.90 -3.40 119.26 113.70 1jx1 h ALA 17 Ca -0.47 -0.39 -0.56 0.00 0.00 0.00 0.00 54.91 53.50 1jx1 h ALA 17 Cb 1.31 -0.07 -0.26 0.00 0.00 0.00 0.00 17.79 18.77 1jx1 h ALA 17 CO 0.46 0.54 -0.83 0.54 0.00 0.00 0.00 179.25 179.95 1jx1 s VAL 18 N -3.40 1.54 0.02 0.00 0.11 -1.26 0.20 120.40 117.61 1jx1 s VAL 18 Ca 0.01 -1.09 -0.03 0.00 -2.93 0.00 0.00 61.98 57.95 1jx1 s VAL 18 Cb 0.10 -1.33 -0.02 0.00 -1.53 0.00 0.00 36.38 33.60 1jx1 s VAL 18 CO 0.71 0.21 0.02 -0.69 -3.33 0.00 0.00 175.10 172.02 1jx1 s VAL 19 N -0.74 0.12 0.04 2.04 1.01 0.13 -4.97 120.40 118.04 1jx1 s VAL 19 Ca 0.06 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.13 1jx1 s VAL 19 Cb -0.08 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 1jx1 s VAL 19 CO 0.01 -0.55 -0.23 -0.89 0.00 0.00 0.00 175.10 173.44 1jx1 s THR 20 N -1.92 1.86 -0.15 3.92 2.01 -1.26 0.95 115.64 121.05 1jx1 s THR 20 Ca -0.11 -1.25 0.02 0.00 0.31 0.00 0.00 61.69 60.65 1jx1 s THR 20 Cb -0.06 -1.60 0.01 0.00 0.01 0.00 0.00 72.50 70.86 1jx1 s THR 20 CO -0.02 0.29 -0.21 -0.55 -0.69 0.00 0.00 174.62 173.44 1jx1 s SER 21 N -1.15 3.17 0.30 3.53 0.15 -0.55 -4.98 113.70 114.16 1jx1 s SER 21 Ca 0.09 -0.59 0.25 0.00 0.70 0.00 0.00 55.95 56.40 1jx1 s SER 21 Cb -0.09 -1.46 0.74 0.00 -1.71 0.00 0.00 66.02 63.50 1jx1 s SER 21 CO 0.02 0.07 1.74 1.55 1.20 0.00 0.00 173.24 177.82 1jx1 h PRO 22 N 7.38 0.00 0.38 5.44 0.13 -1.89 0.42 132.00 143.86 1jx1 h PRO 22 Ca -0.34 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 1jx1 h PRO 22 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1jx1 h PRO 22 CO 0.56 0.00 -0.18 0.28 -0.23 0.00 0.00 178.00 178.43 1jx1 h VAL 23 N 0.00 0.45 0.00 1.56 2.07 -1.83 -3.37 116.25 115.12 1jx1 h VAL 23 Ca 0.00 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1jx1 h VAL 23 Cb 0.75 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1jx1 h VAL 23 CO 0.00 0.09 -1.64 0.35 0.02 0.00 0.00 177.57 176.39 1jx1 n THR 24 N -5.15 0.00 0.00 2.57 -2.24 -1.24 -4.99 114.28 103.23 1jx1 n THR 24 Ca -0.09 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1jx1 n THR 24 Cb 0.28 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1jx1 n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jx1 n GLY 25 N 1.40 2.41 3.76 3.38 0.00 0.15 -5.03 105.19 111.26 1jx1 n GLY 25 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1jx1 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jx1 s LYS 26 N -0.34 1.33 0.09 1.61 1.02 -1.25 -4.69 119.74 117.50 1jx1 s LYS 26 Ca 0.00 0.52 0.05 0.00 0.02 0.00 0.00 55.97 56.56 1jx1 s LYS 26 Cb 0.00 -1.84 -0.03 0.00 -0.52 0.00 0.00 37.83 35.44 1jx1 s LYS 26 CO 0.00 -2.12 -0.13 -1.54 -0.92 0.00 0.00 175.35 170.64 1jx1 s SER 27 N -3.80 1.69 0.19 2.83 1.04 -1.26 -1.49 113.70 112.90 1jx1 s SER 27 Ca 0.63 -0.69 -0.01 0.00 0.48 0.00 0.00 55.95 56.37 1jx1 s SER 27 Cb -0.16 -0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.88 1jx1 s SER 27 CO 0.55 -0.12 0.11 -0.31 0.98 0.00 0.00 173.24 174.44 1jx1 s TYR 28 N -1.64 1.11 0.21 5.02 1.51 0.27 -1.46 117.35 122.36 1jx1 s TYR 28 Ca 0.01 -1.32 0.10 0.00 -1.01 0.00 0.00 57.07 54.86 1jx1 s TYR 28 Cb -0.08 -0.57 -0.04 0.00 -0.11 0.00 0.00 41.96 41.16 1jx1 s TYR 28 CO 0.02 -0.58 -0.21 -0.59 -1.11 0.00 0.00 175.55 173.09 1jx1 s PHE 29 N -4.09 2.11 -0.16 2.71 -0.12 -0.12 0.20 117.98 118.50 1jx1 s PHE 29 Ca 0.35 -0.40 -0.29 0.00 -0.05 0.00 0.00 56.93 56.53 1jx1 s PHE 29 Cb 0.07 -1.01 -0.01 0.00 -0.63 0.00 0.00 43.02 41.45 1jx1 s PHE 29 CO 0.09 0.49 1.16 -1.17 -0.05 0.00 0.00 175.22 175.75 1jx1 s LEU 30 N -2.93 4.18 0.24 -1.99 2.96 0.52 -1.35 118.68 120.31 1jx1 s LEU 30 Ca 0.22 1.60 0.23 0.00 -0.22 0.00 0.00 54.13 55.96 1jx1 s LEU 30 Cb -0.06 -3.54 0.21 0.00 0.50 0.00 0.00 46.19 43.30 1jx1 s LEU 30 CO 0.10 -0.68 1.29 1.23 -1.32 0.00 0.00 176.35 176.97 1jx1 h GLY 31 N 9.25 0.00 0.00 7.98 0.00 -0.40 -3.48 103.07 116.42 1jx1 h GLY 31 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1jx1 h GLY 31 CO 0.95 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.10 1jx1 n GLY 32 N 1.21 3.85 2.93 4.60 0.00 -1.17 -2.59 105.19 114.02 1jx1 n GLY 32 Ca 0.02 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 1jx1 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jx1 s ALA 33 N -2.00 0.22 0.00 4.61 0.00 -1.26 -1.29 121.76 122.04 1jx1 s ALA 33 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1jx1 s ALA 33 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.11 1jx1 s ALA 33 CO 0.00 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.18 1jx1 n GLY 34 N 2.70 4.96 3.18 0.00 0.00 -0.72 -4.81 105.19 110.50 1jx1 n GLY 34 Ca -0.15 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.43 1jx1 n GLY 34 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jx1 s GLU 35 N 1.06 0.87 0.02 1.61 -1.05 -1.26 -1.62 118.70 118.32 1jx1 s GLU 35 Ca 0.00 -1.36 0.01 0.00 -0.15 0.00 0.00 54.97 53.47 1jx1 s GLU 35 Cb 0.00 -0.22 -0.02 0.00 -0.44 0.00 0.00 34.13 33.45 1jx1 s GLU 35 CO 0.00 -0.03 -0.05 1.03 0.95 0.00 0.00 175.26 177.16 1jx1 s ARG 36 N -3.84 0.38 0.00 -4.83 3.00 0.12 -4.89 118.95 108.89 1jx1 s ARG 36 Ca 0.13 -0.53 0.00 0.00 0.00 0.00 0.00 55.73 55.33 1jx1 s ARG 36 Cb 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 34.95 34.86 1jx1 s ARG 36 CO -0.04 0.02 0.00 0.41 0.00 0.00 0.00 175.30 175.69 1jx1 n GLY 37 N 1.93 3.53 3.03 -3.53 0.00 -1.26 -1.79 105.19 107.11 1jx1 n GLY 37 Ca -0.20 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 1jx1 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jx1 s LEU 38 N 0.00 2.27 -0.27 0.99 1.43 -0.18 -4.92 118.68 118.00 1jx1 s LEU 38 Ca 0.00 -0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 52.45 1jx1 s LEU 38 Cb 0.00 -0.03 -0.02 0.00 0.03 0.00 0.00 46.19 46.17 1jx1 s LEU 38 CO 0.00 -0.28 0.11 -0.89 0.23 0.00 0.00 176.35 175.52 1jx1 s THR 39 N -1.63 4.52 -0.08 5.49 2.01 -1.26 -0.41 115.64 124.27 1jx1 s THR 39 Ca -0.11 -0.21 0.04 0.00 0.31 0.00 0.00 61.69 61.71 1jx1 s THR 39 Cb -0.08 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.25 1jx1 s THR 39 CO -0.01 0.24 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.33 1jx1 s ILE 40 N 1.63 1.73 -1.74 1.82 -1.09 0.52 -4.74 121.20 119.33 1jx1 s ILE 40 Ca 0.06 -0.84 -0.19 0.00 -2.23 0.00 0.00 60.65 57.45 1jx1 s ILE 40 Cb -0.16 -1.51 0.17 0.00 -1.58 0.00 0.00 42.46 39.39 1jx1 s ILE 40 CO 0.05 0.49 0.74 -0.62 -1.23 0.00 0.00 174.94 174.37 1jx1 n GLU 41 N 3.52 -2.64 -0.93 2.79 1.02 -1.26 0.63 120.64 123.77 1jx1 n GLU 41 Ca -0.20 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1jx1 n GLU 41 Cb 0.53 -5.01 0.00 0.00 -0.02 0.00 0.00 31.44 26.94 1jx1 n GLU 41 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jx1 n GLY 42 N -1.34 0.56 3.50 0.62 0.00 -1.26 -5.01 105.19 102.26 1jx1 n GLY 42 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1jx1 n GLY 42 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jx1 s ASN 43 N -2.37 4.41 -0.36 1.61 3.84 0.20 -5.09 114.94 117.18 1jx1 s ASN 43 Ca 0.00 -0.14 -0.25 0.00 0.21 0.00 0.00 52.86 52.68 1jx1 s ASN 43 Cb 0.00 -1.28 0.01 0.00 -0.55 0.00 0.00 41.25 39.43 1jx1 s ASN 43 CO 0.00 0.29 0.89 0.12 -2.79 0.00 0.00 177.10 175.61 1jx1 s PHE 44 N -0.38 3.10 -0.34 0.43 5.36 -1.26 -0.36 117.98 124.53 1jx1 s PHE 44 Ca 0.05 0.76 -0.12 0.00 -0.96 0.00 0.00 56.93 56.66 1jx1 s PHE 44 Cb -0.12 -3.56 -0.01 0.00 -0.34 0.00 0.00 43.02 38.99 1jx1 s PHE 44 CO 0.02 -0.78 0.22 0.42 -1.46 0.00 0.00 175.22 173.64 1jx1 s ILE 45 N 3.36 5.01 0.37 3.12 1.01 0.45 -4.96 121.20 129.56 1jx1 s ILE 45 Ca 0.37 -0.38 -0.26 0.00 0.00 0.00 0.00 60.65 60.38 1jx1 s ILE 45 Cb -0.12 -3.61 -0.09 0.00 0.01 0.00 0.00 42.46 38.64 1jx1 s ILE 45 CO 0.17 -0.04 1.08 -0.54 0.00 0.00 0.00 174.94 175.62 1jx1 s LYS 46 N 1.67 4.27 0.00 2.79 1.02 -1.26 -1.01 119.74 127.22 1jx1 s LYS 46 Ca 0.05 1.65 0.00 0.00 0.02 0.00 0.00 55.97 57.69 1jx1 s LYS 46 Cb -0.18 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 1jx1 s LYS 46 CO 0.09 -0.08 0.00 1.19 -0.92 0.00 0.00 175.35 175.63 1jx1 n PHE 47 N 0.30 0.00 -3.49 3.18 3.01 -0.74 -4.58 117.46 115.14 1jx1 n PHE 47 Ca 0.03 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.39 1jx1 n PHE 47 Cb 0.48 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.92 1jx1 n PHE 47 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jx1 s ALA 48 N -0.44 -1.77 -0.02 4.37 0.00 -0.79 -0.24 121.76 122.87 1jx1 s ALA 48 Ca 0.00 0.94 0.03 0.00 0.00 0.00 0.00 51.96 52.93 1jx1 s ALA 48 Cb 0.00 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 1jx1 s ALA 48 CO 0.00 -0.66 -0.11 0.00 0.00 0.00 0.00 175.76 174.99 1jx1 s ALA 49 N -2.99 2.83 -0.05 0.00 0.00 0.47 0.16 121.76 122.17 1jx1 s ALA 49 Ca 0.02 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.02 1jx1 s ALA 49 Cb -0.01 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 1jx1 s ALA 49 CO -0.08 0.58 -0.19 0.42 0.00 0.00 0.00 175.76 176.50 1jx1 s ILE 50 N -0.86 2.67 -0.18 0.00 1.01 -0.64 -0.75 121.20 122.45 1jx1 s ILE 50 Ca 0.14 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.93 1jx1 s ILE 50 Cb -0.11 -2.02 0.04 0.00 0.01 0.00 0.00 42.46 40.38 1jx1 s ILE 50 CO 0.04 0.58 -0.10 -0.83 0.00 0.00 0.00 174.94 174.63 1jx1 s GLY 51 N -0.48 1.18 -0.39 6.18 0.00 0.23 -1.76 107.32 112.27 1jx1 s GLY 51 Ca 0.06 -1.08 -0.17 0.00 0.00 0.00 0.00 44.72 43.53 1jx1 s GLY 51 CO 0.01 0.73 0.43 0.14 0.00 0.00 0.00 173.10 174.40 1jx1 s VAL 52 N 1.46 5.10 -0.10 1.40 1.01 -0.41 -0.28 120.40 128.58 1jx1 s VAL 52 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1jx1 s VAL 52 Cb -0.15 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1jx1 s VAL 52 CO -0.08 -0.31 0.03 -0.31 0.00 0.00 0.00 175.10 174.43 1jx1 s TYR 53 N 2.14 3.24 -0.03 5.22 1.51 0.12 0.39 117.35 129.93 1jx1 s TYR 53 Ca 0.13 0.24 0.07 0.00 -1.01 0.00 0.00 57.07 56.49 1jx1 s TYR 53 Cb -0.17 -1.83 -0.02 0.00 -0.11 0.00 0.00 41.96 39.83 1jx1 s TYR 53 CO 0.13 0.50 -0.23 -0.51 -1.11 0.00 0.00 175.55 174.33 1jx1 s LEU 54 N -0.84 2.23 0.35 -1.29 1.43 -0.46 -0.74 118.68 119.36 1jx1 s LEU 54 Ca 0.13 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.54 1jx1 s LEU 54 Cb -0.12 -1.40 -0.11 0.00 0.03 0.00 0.00 46.19 44.60 1jx1 s LEU 54 CO 0.03 0.32 1.46 -0.70 0.23 0.00 0.00 176.35 177.68 1jx1 s GLU 55 N -0.60 4.18 0.33 1.70 2.12 -0.87 -0.95 118.70 124.60 1jx1 s GLU 55 Ca 0.09 2.48 0.10 0.00 0.36 0.00 0.00 54.97 58.00 1jx1 s GLU 55 Cb -0.10 -3.01 0.98 0.00 0.26 0.00 0.00 34.13 32.25 1jx1 s GLU 55 CO -0.00 -0.46 1.61 0.38 -0.54 0.00 0.00 175.26 176.25 1jx1 h ASP 56 N 3.50 0.08 0.33 -1.70 -0.00 -1.59 0.38 116.42 117.42 1jx1 h ASP 56 Ca -0.50 0.23 0.00 0.00 -0.00 0.00 0.00 57.03 56.77 1jx1 h ASP 56 Cb 1.23 0.29 0.00 0.00 -0.00 0.00 0.00 39.33 40.86 1jx1 h ASP 56 CO 0.68 -0.28 0.00 2.30 -0.00 0.00 0.00 179.24 181.94 1jx1 n ILE 57 N -5.26 1.02 -0.29 4.15 -5.35 -1.26 -2.92 119.36 109.44 1jx1 n ILE 57 Ca 0.29 0.48 0.15 0.00 -0.27 0.00 0.00 62.75 63.39 1jx1 n ILE 57 Cb 0.93 -1.44 0.40 0.00 -1.74 0.00 0.00 39.64 37.79 1jx1 n ILE 57 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jx1 h ALA 58 N 2.14 1.91 0.44 -1.28 0.00 -0.58 -1.93 119.26 119.95 1jx1 h ALA 58 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1jx1 h ALA 58 Cb 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1jx1 h ALA 58 CO 0.00 -0.21 -0.33 0.28 0.00 0.00 0.00 179.25 178.99 1jx1 h VAL 59 N 0.63 0.32 -0.94 0.00 2.07 -1.73 -1.85 116.25 114.75 1jx1 h VAL 59 Ca 0.50 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.20 1jx1 h VAL 59 Cb 0.93 0.32 -0.08 0.00 -1.52 0.00 0.00 31.29 30.94 1jx1 h VAL 59 CO -0.25 0.00 0.60 0.00 0.02 0.00 0.00 177.57 177.94 1jx1 h ALA 60 N -0.30 1.90 -0.24 1.67 0.00 -1.60 0.34 119.26 121.03 1jx1 h ALA 60 Ca -0.04 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1jx1 h ALA 60 Cb 0.65 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1jx1 h ALA 60 CO 0.00 -0.20 0.05 1.03 0.00 0.00 0.00 179.25 180.13 1jx1 h SER 61 N 0.63 0.37 1.56 0.00 0.87 -1.11 -3.27 113.55 112.61 1jx1 h SER 61 Ca 0.50 -0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 1jx1 h SER 61 Cb 0.92 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1jx1 h SER 61 CO -0.25 0.52 -0.44 -0.07 -0.53 0.00 0.00 176.83 176.06 1jx1 h LEU 62 N 0.21 0.00 0.00 2.23 3.38 -0.51 -3.42 115.31 117.20 1jx1 h LEU 62 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jx1 h LEU 62 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1jx1 h LEU 62 CO 0.00 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.62 1jx1 n ALA 63 N -2.16 -0.05 -0.30 1.53 0.00 0.11 0.80 120.51 120.44 1jx1 n ALA 63 Ca 0.02 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.69 1jx1 n ALA 63 Cb 0.58 0.25 0.43 0.00 0.00 0.00 0.00 19.45 20.71 1jx1 n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jx1 n ALA 64 N -1.56 0.75 0.05 0.00 0.00 -1.26 0.12 120.51 118.62 1jx1 n ALA 64 Ca 0.00 0.96 0.06 0.00 0.00 0.00 0.00 53.44 54.45 1jx1 n ALA 64 Cb 0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 18.54 1jx1 n ALA 64 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jx1 n LYS 65 N -5.19 0.62 -0.00 0.00 4.81 -1.07 -4.55 118.16 112.77 1jx1 n LYS 65 Ca 0.30 0.13 0.01 0.00 -0.87 0.00 0.00 58.31 57.88 1jx1 n LYS 65 Cb 0.99 -1.78 -0.01 0.00 0.02 0.00 0.00 35.03 34.25 1jx1 n LYS 65 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1jx1 n TRP 66 N -2.73 0.00 -1.67 5.64 7.02 0.24 -4.98 117.44 120.95 1jx1 n TRP 66 Ca -0.06 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.06 1jx1 n TRP 66 Cb 0.70 -0.02 0.07 0.00 -2.42 0.00 0.00 31.31 29.64 1jx1 n TRP 66 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1jx1 s LYS 67 N -1.63 2.45 0.00 -0.99 2.20 0.32 -2.65 119.74 119.44 1jx1 s LYS 67 Ca 0.00 2.00 0.00 0.00 -0.36 0.00 0.00 55.97 57.61 1jx1 s LYS 67 Cb 0.02 -1.84 0.00 0.00 -1.51 0.00 0.00 37.83 34.49 1jx1 s LYS 67 CO 0.09 -1.66 0.00 0.41 -0.36 0.00 0.00 175.35 173.83 1jx1 n GLY 68 N 0.79 2.46 3.70 5.54 0.00 -1.26 -4.98 105.19 111.45 1jx1 n GLY 68 Ca 0.15 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 1jx1 n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jx1 s LYS 69 N 0.00 1.59 0.55 1.61 -0.14 -1.08 -5.03 119.74 117.24 1jx1 s LYS 69 Ca 0.00 1.59 0.08 0.00 -1.36 0.00 0.00 55.97 56.28 1jx1 s LYS 69 Cb 0.00 -1.79 0.07 0.00 -1.68 0.00 0.00 37.83 34.43 1jx1 s LYS 69 CO 0.00 -2.22 0.66 -1.54 -0.76 0.00 0.00 175.35 171.49 1jx1 s SER 70 N -2.52 4.99 0.24 2.83 1.04 -1.26 -4.87 113.70 114.15 1jx1 s SER 70 Ca 0.69 -0.94 -0.07 0.00 0.48 0.00 0.00 55.95 56.11 1jx1 s SER 70 Cb -0.25 0.26 0.24 0.00 0.10 0.00 0.00 66.02 66.38 1jx1 s SER 70 CO 0.53 -1.22 1.91 0.28 0.98 0.00 0.00 173.24 175.72 1jx1 h SER 71 N 0.39 1.07 0.81 7.02 0.02 -1.93 0.14 113.55 121.07 1jx1 h SER 71 Ca -0.33 -0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.45 1jx1 h SER 71 Cb 1.29 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 1jx1 h SER 71 CO 0.46 0.77 -0.72 1.05 -1.14 0.00 0.00 176.83 177.25 1jx1 h GLU 72 N 1.26 0.00 -0.21 3.45 9.09 -1.96 -0.84 114.58 125.37 1jx1 h GLU 72 Ca 0.35 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.61 1jx1 h GLU 72 Cb -0.12 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 26.98 1jx1 h GLU 72 CO -0.08 0.72 -0.44 0.93 0.05 0.00 0.00 179.01 180.19 1jx1 h GLU 73 N 0.00 0.68 0.03 1.06 5.08 -1.83 -2.55 114.58 117.05 1jx1 h GLU 73 Ca -0.01 -0.44 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1jx1 h GLU 73 Cb 1.32 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1jx1 h GLU 73 CO 0.09 1.06 -0.01 -0.07 -1.00 0.00 0.00 179.01 179.08 1jx1 h LEU 74 N 0.38 -0.03 -1.19 1.33 3.38 -0.65 -3.05 115.31 115.48 1jx1 h LEU 74 Ca 0.00 -0.10 0.09 0.00 0.09 0.00 0.00 57.88 57.97 1jx1 h LEU 74 Cb 1.05 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.74 1jx1 h LEU 74 CO 0.10 0.08 0.58 0.25 0.09 0.00 0.00 178.44 179.54 1jx1 h LEU 75 N -0.15 0.81 -3.97 1.67 5.85 -1.15 -2.11 115.31 116.27 1jx1 h LEU 75 Ca -0.00 0.02 -0.54 0.00 0.84 0.00 0.00 57.88 58.19 1jx1 h LEU 75 Cb 0.13 -0.15 -0.30 0.00 0.37 0.00 0.00 40.66 40.72 1jx1 h LEU 75 CO 0.01 0.48 0.69 -1.84 -0.34 0.00 0.00 178.44 177.44 1jx1 n GLU 76 N -4.53 2.32 -3.72 1.25 0.28 -0.96 -4.77 120.64 110.51 1jx1 n GLU 76 Ca 0.15 -3.01 -0.30 0.00 -0.16 0.00 0.00 57.16 53.84 1jx1 n GLU 76 Cb 0.30 -2.18 -0.15 0.00 1.43 0.00 0.00 31.44 30.84 1jx1 n GLU 76 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1jx1 s THR 77 N -3.55 0.78 0.23 3.84 2.01 -0.79 -5.02 115.64 113.14 1jx1 s THR 77 Ca 0.58 -1.28 -0.07 0.00 0.31 0.00 0.00 61.69 61.23 1jx1 s THR 77 Cb 0.48 -1.57 0.19 0.00 0.01 0.00 0.00 72.50 71.61 1jx1 s THR 77 CO 0.08 -0.64 1.82 -0.07 -0.69 0.00 0.00 174.62 175.13 1jx1 h LEU 78 N 8.12 0.68 -1.83 4.42 3.38 -1.86 -2.23 115.31 125.99 1jx1 h LEU 78 Ca -0.14 0.03 0.30 0.00 0.09 0.00 0.00 57.88 58.15 1jx1 h LEU 78 Cb 1.02 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.61 1jx1 h LEU 78 CO 0.46 0.42 0.74 -0.78 0.09 0.00 0.00 178.44 179.38 1jx1 h ASP 79 N 0.81 0.12 -0.61 -0.43 -0.00 -1.95 0.33 116.42 114.69 1jx1 h ASP 79 Ca 0.35 0.02 -0.04 0.00 -0.00 0.00 0.00 57.03 57.36 1jx1 h ASP 79 Cb 0.23 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.54 1jx1 h ASP 79 CO -0.20 0.03 0.22 0.15 -0.00 0.00 0.00 179.24 179.44 1jx1 h PHE 80 N 0.11 0.96 -0.21 0.28 3.04 -1.72 -1.50 116.94 117.90 1jx1 h PHE 80 Ca 0.53 -0.08 -0.21 0.00 3.98 0.00 0.00 57.97 62.19 1jx1 h PHE 80 Cb 1.89 -0.28 0.01 0.00 2.56 0.00 0.00 35.95 40.13 1jx1 h PHE 80 CO -0.00 0.77 -0.68 1.88 -2.02 0.00 0.00 178.31 178.26 1jx1 h TYR 81 N 0.86 1.09 -0.72 0.41 -1.99 -0.51 -2.74 116.97 113.36 1jx1 h TYR 81 Ca 0.20 -0.44 0.08 0.00 2.00 0.00 0.00 58.73 60.57 1jx1 h TYR 81 Cb 0.24 -0.18 -0.05 0.00 2.00 0.00 0.00 36.73 38.74 1jx1 h TYR 81 CO 0.01 1.27 0.47 0.00 -0.00 0.00 0.00 178.16 179.92 1jx1 h ARG 82 N 0.60 0.67 -0.25 4.88 3.08 -1.06 0.23 114.38 122.52 1jx1 h ARG 82 Ca -0.02 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 1jx1 h ARG 82 Cb 1.30 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 1jx1 h ARG 82 CO 0.14 0.44 -0.24 -0.44 -1.07 0.00 0.00 179.97 178.81 1jx1 h ASP 83 N 0.69 0.48 0.07 7.04 3.32 -1.06 -0.76 116.42 126.19 1jx1 h ASP 83 Ca 0.32 -0.16 -0.27 0.00 0.02 0.00 0.00 57.03 56.94 1jx1 h ASP 83 Cb 0.36 -0.13 0.02 0.00 0.22 0.00 0.00 39.33 39.80 1jx1 h ASP 83 CO -0.11 0.72 -1.09 0.40 -1.72 0.00 0.00 179.24 177.44 1jx1 h ILE 84 N 0.43 1.29 -0.16 0.35 2.04 -0.70 0.34 117.51 121.10 1jx1 h ILE 84 Ca 0.06 -2.32 -0.02 0.00 1.00 0.00 0.00 64.86 63.58 1jx1 h ILE 84 Cb 0.65 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 1jx1 h ILE 84 CO 0.05 0.71 0.02 0.40 0.00 0.00 0.00 178.15 179.33 1jx1 h ILE 85 N 0.35 1.23 -0.56 -0.67 2.04 -0.54 -3.26 117.51 116.10 1jx1 h ILE 85 Ca -0.14 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1jx1 h ILE 85 Cb 1.75 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 1jx1 h ILE 85 CO 0.21 0.23 0.00 -1.20 0.00 0.00 0.00 178.15 177.39 1jx1 n SER 86 N -4.77 3.75 -4.75 1.72 7.64 -0.30 -4.95 113.62 111.96 1jx1 n SER 86 Ca -0.05 -2.14 -0.39 0.00 1.01 0.00 0.00 58.87 57.30 1jx1 n SER 86 Cb 0.19 -0.42 0.03 0.00 -1.01 0.00 0.00 64.21 63.01 1jx1 n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jx1 n GLY 87 N 1.05 0.85 2.35 0.23 0.00 0.12 -4.83 105.19 104.96 1jx1 n GLY 87 Ca 0.20 0.08 -0.03 0.00 0.00 0.00 0.00 46.02 46.27 1jx1 n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jx1 n PRO 88 N -0.72 0.56 -3.92 1.61 -0.04 -1.26 -4.69 135.00 126.53 1jx1 n PRO 88 Ca 0.09 -0.28 -0.09 0.00 -0.04 0.00 0.00 63.50 63.18 1jx1 n PRO 88 Cb 0.43 -1.64 -0.05 0.00 -0.04 0.00 0.00 33.50 32.21 1jx1 n PRO 88 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1jx1 s PHE 89 N 2.42 0.24 0.16 0.54 -0.12 -1.26 -4.98 117.98 114.97 1jx1 s PHE 89 Ca 0.19 -0.60 -0.23 0.00 -0.05 0.00 0.00 56.93 56.24 1jx1 s PHE 89 Cb 0.09 0.19 -0.08 0.00 -0.63 0.00 0.00 43.02 42.59 1jx1 s PHE 89 CO 0.00 -0.91 0.73 -2.00 -0.05 0.00 0.00 175.22 172.99 1jx1 s GLU 90 N -3.97 4.44 -0.04 1.99 2.12 -1.26 -4.20 118.70 117.79 1jx1 s GLU 90 Ca 0.18 1.03 0.07 0.00 0.36 0.00 0.00 54.97 56.60 1jx1 s GLU 90 Cb 0.00 -3.19 -0.02 0.00 0.26 0.00 0.00 34.13 31.19 1jx1 s GLU 90 CO 0.04 0.55 -0.24 0.15 -0.54 0.00 0.00 175.26 175.22 1jx1 s LYS 91 N -1.29 2.34 -0.22 4.30 3.01 -0.91 -2.04 119.74 124.94 1jx1 s LYS 91 Ca 0.36 -0.88 0.02 0.00 -1.01 0.00 0.00 55.97 54.45 1jx1 s LYS 91 Cb -0.21 -2.14 0.04 0.00 -1.01 0.00 0.00 37.83 34.51 1jx1 s LYS 91 CO 0.24 0.50 -0.15 -1.17 0.51 0.00 0.00 175.35 175.28 1jx1 s LEU 92 N -0.45 2.69 -0.19 3.17 0.20 0.08 -0.61 118.68 123.57 1jx1 s LEU 92 Ca 0.05 -0.99 -0.05 0.00 0.69 0.00 0.00 54.13 53.83 1jx1 s LEU 92 Cb -0.12 -1.47 -0.02 0.00 -0.43 0.00 0.00 46.19 44.15 1jx1 s LEU 92 CO 0.01 -0.10 -0.01 -0.63 -0.29 0.00 0.00 176.35 175.33 1jx1 s ILE 93 N 1.23 3.94 -0.16 6.68 1.01 -0.03 0.11 121.20 133.97 1jx1 s ILE 93 Ca -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 1jx1 s ILE 93 Cb -0.16 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.53 1jx1 s ILE 93 CO -0.09 0.44 -0.12 -0.60 0.00 0.00 0.00 174.94 174.57 1jx1 s ARG 94 N 0.90 3.32 -0.20 2.79 3.00 0.62 0.11 118.95 129.49 1jx1 s ARG 94 Ca 0.01 -0.69 -0.02 0.00 -1.00 0.00 0.00 55.73 54.03 1jx1 s ARG 94 Cb -0.14 -2.73 0.00 0.00 0.00 0.00 0.00 34.95 32.08 1jx1 s ARG 94 CO 0.02 0.03 -0.12 0.20 0.00 0.00 0.00 175.30 175.43 1jx1 s GLY 95 N 0.82 1.51 0.04 8.12 0.00 -0.23 0.75 107.32 118.33 1jx1 s GLY 95 Ca -0.04 -1.18 0.08 0.00 0.00 0.00 0.00 44.72 43.58 1jx1 s GLY 95 CO 0.00 0.33 -0.22 -0.56 0.00 0.00 0.00 173.10 172.66 1jx1 s SER 96 N 1.34 3.51 0.10 1.64 0.01 0.08 -0.01 113.70 120.37 1jx1 s SER 96 Ca 0.04 -0.49 -0.27 0.00 1.31 0.00 0.00 55.95 56.54 1jx1 s SER 96 Cb -0.14 -0.47 -0.06 0.00 0.21 0.00 0.00 66.02 65.56 1jx1 s SER 96 CO -0.07 0.26 0.85 -0.54 0.41 0.00 0.00 173.24 174.15 1jx1 s LYS 97 N -1.31 4.60 -0.21 12.44 3.01 0.34 -0.39 119.74 138.22 1jx1 s LYS 97 Ca 0.13 1.24 -0.14 0.00 -1.01 0.00 0.00 55.97 56.20 1jx1 s LYS 97 Cb -0.10 -3.35 -0.19 0.00 -1.01 0.00 0.00 37.83 33.19 1jx1 s LYS 97 CO 0.03 0.32 0.05 -0.89 0.51 0.00 0.00 175.35 175.38 1jx1 n ILE 98 N 2.52 1.58 -4.73 2.17 5.41 0.67 -0.82 119.36 126.16 1jx1 n ILE 98 Ca -0.01 -0.31 -0.30 0.00 1.00 0.00 0.00 62.75 63.13 1jx1 n ILE 98 Cb 0.49 -1.87 -0.14 0.00 -0.71 0.00 0.00 39.64 37.42 1jx1 n ILE 98 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1jx1 s ARG 99 N -2.46 1.75 0.17 0.38 0.52 -1.03 -4.61 118.95 113.68 1jx1 s ARG 99 Ca -0.31 -1.15 -0.33 0.00 -0.52 0.00 0.00 55.73 53.42 1jx1 s ARG 99 Cb 0.09 -2.00 -0.13 0.00 0.52 0.00 0.00 34.95 33.42 1jx1 s ARG 99 CO 0.60 0.50 1.63 -1.91 0.02 0.00 0.00 175.30 176.14 1jx1 n GLU 100 N 1.51 2.35 -3.95 3.54 2.13 -1.26 -4.71 120.64 120.25 1jx1 n GLU 100 Ca -0.17 0.85 -0.15 0.00 0.66 0.00 0.00 57.16 58.35 1jx1 n GLU 100 Cb 0.52 -2.64 -0.15 0.00 0.27 0.00 0.00 31.44 29.44 1jx1 n GLU 100 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1jx1 s LEU 101 N 1.01 1.68 0.90 4.31 1.43 0.07 -5.00 118.68 123.09 1jx1 s LEU 101 Ca 0.78 -0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.73 1jx1 s LEU 101 Cb -0.62 -0.14 0.13 0.00 0.03 0.00 0.00 46.19 45.59 1jx1 s LEU 101 CO 0.36 -0.02 1.12 -0.94 0.23 0.00 0.00 176.35 177.10 1jx1 s SER 102 N 0.35 3.56 0.12 2.29 1.04 -1.26 -0.52 113.70 119.28 1jx1 s SER 102 Ca -0.03 1.11 -0.29 0.00 0.48 0.00 0.00 55.95 57.21 1jx1 s SER 102 Cb -0.06 -1.74 -0.08 0.00 0.10 0.00 0.00 66.02 64.24 1jx1 s SER 102 CO -0.01 -2.53 1.60 1.23 0.98 0.00 0.00 173.24 174.51 1jx1 h GLY 103 N -1.48 -0.69 1.39 7.32 0.00 -0.12 -2.45 103.07 107.03 1jx1 h GLY 103 Ca -0.50 0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1jx1 h GLY 103 CO 0.60 -0.26 0.28 -2.55 0.00 0.00 0.00 176.54 174.61 1jx1 h PRO 104 N -0.58 0.80 0.52 4.80 0.11 -1.83 -1.54 132.00 134.28 1jx1 h PRO 104 Ca 0.03 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1jx1 h PRO 104 Cb 0.62 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1jx1 h PRO 104 CO -0.22 0.62 -0.37 0.93 -0.21 0.00 0.00 178.00 178.74 1jx1 h GLU 105 N 0.80 -0.84 0.42 1.05 5.08 -1.86 -1.71 114.58 117.52 1jx1 h GLU 105 Ca 0.20 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1jx1 h GLU 105 Cb 0.08 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1jx1 h GLU 105 CO -0.03 -0.56 -0.51 -0.92 -1.00 0.00 0.00 179.01 175.99 1jx1 h TYR 106 N -0.87 -1.43 -0.64 4.33 3.20 -1.34 -3.07 116.97 117.15 1jx1 h TYR 106 Ca -0.06 0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.01 1jx1 h TYR 106 Cb 0.73 0.57 -0.03 0.00 1.54 0.00 0.00 36.73 39.54 1jx1 h TYR 106 CO -0.14 -0.66 0.47 0.66 -1.64 0.00 0.00 178.16 176.85 1jx1 h SER 107 N -0.95 0.00 -0.73 -2.11 4.64 -1.24 -3.15 113.55 110.01 1jx1 h SER 107 Ca -0.05 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.35 1jx1 h SER 107 Cb 0.85 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.83 1jx1 h SER 107 CO -0.12 0.00 -0.53 -0.09 -0.87 0.00 0.00 176.83 175.22 1jx1 h ARG 108 N 0.00 -0.16 -0.08 4.77 2.43 -1.20 -1.07 114.38 119.07 1jx1 h ARG 108 Ca 0.30 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.41 1jx1 h ARG 108 Cb 1.24 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1jx1 h ARG 108 CO -0.00 -0.11 -0.23 0.87 -1.51 0.00 0.00 179.97 178.98 1jx1 h LYS 109 N -0.17 0.30 -0.75 0.20 1.57 -1.75 -2.71 116.57 113.25 1jx1 h LYS 109 Ca 0.15 -0.22 0.17 0.00 -1.87 0.00 0.00 60.65 58.88 1jx1 h LYS 109 Cb 0.52 0.04 -0.13 0.00 0.08 0.00 0.00 32.23 32.73 1jx1 h LYS 109 CO -0.79 0.83 -0.04 0.28 -0.57 0.00 0.00 179.45 179.17 1jx1 h VAL 110 N -0.18 0.32 -0.45 0.50 2.07 -1.59 0.20 116.25 117.12 1jx1 h VAL 110 Ca -0.01 -0.03 -0.13 0.00 0.82 0.00 0.00 66.70 67.35 1jx1 h VAL 110 Cb 0.85 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1jx1 h VAL 110 CO 0.05 0.01 -0.24 0.24 0.02 0.00 0.00 177.57 177.65 1jx1 h MET 111 N 0.07 0.95 0.35 1.57 2.86 -1.24 -0.19 114.93 119.31 1jx1 h MET 111 Ca 0.40 -0.43 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1jx1 h MET 111 Cb 0.68 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 1jx1 h MET 111 CO -0.69 1.09 -0.35 0.93 1.06 0.00 0.00 176.91 178.95 1jx1 h GLU 112 N 0.79 -0.70 -0.80 1.72 5.08 -0.78 0.45 114.58 120.34 1jx1 h GLU 112 Ca 0.10 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.60 1jx1 h GLU 112 Cb 0.82 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 30.16 1jx1 h GLU 112 CO 0.07 -0.47 0.45 -0.91 -1.00 0.00 0.00 179.01 177.15 1jx1 h ASN 113 N -0.73 0.63 -0.19 1.42 2.35 -0.60 0.60 115.58 119.06 1jx1 h ASN 113 Ca -0.02 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1jx1 h ASN 113 Cb 0.66 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 1jx1 h ASN 113 CO -0.06 0.36 0.04 0.00 -1.65 0.00 0.00 177.43 176.12 1jx1 h VAL 115 N 0.12 1.21 -0.17 0.00 2.07 0.37 -1.06 116.25 118.78 1jx1 h VAL 115 Ca 0.06 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1jx1 h VAL 115 Cb 0.29 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1jx1 h VAL 115 CO 0.00 0.28 0.07 0.00 0.02 0.00 0.00 177.57 177.95 1jx1 h ALA 116 N 1.47 0.22 0.47 1.67 0.00 -0.57 -0.60 119.26 121.91 1jx1 h ALA 116 Ca 0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1jx1 h ALA 116 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1jx1 h ALA 116 CO 0.01 -0.19 -0.22 1.25 0.00 0.00 0.00 179.25 180.10 1jx1 h HIS 117 N 0.13 -0.58 -0.84 0.00 6.17 -1.00 -1.80 115.15 117.22 1jx1 h HIS 117 Ca 0.06 -0.01 0.14 0.00 0.71 0.00 0.00 60.37 61.26 1jx1 h HIS 117 Cb 0.16 0.19 -0.09 0.00 2.52 0.00 0.00 27.41 30.20 1jx1 h HIS 117 CO -0.01 -0.34 0.44 -0.07 0.71 0.00 0.00 177.93 178.65 1jx1 h LEU 118 N -0.67 0.54 -0.23 0.26 3.38 -1.16 -0.83 115.31 116.60 1jx1 h LEU 118 Ca -0.06 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1jx1 h LEU 118 Cb 0.50 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1jx1 h LEU 118 CO 0.11 0.24 0.06 0.11 0.09 0.00 0.00 178.44 179.04 1jx1 h LYS 119 N 0.64 0.37 0.18 1.13 1.57 -0.96 0.15 116.57 119.65 1jx1 h LYS 119 Ca 0.45 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 59.14 1jx1 h LYS 119 Cb 0.61 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1jx1 h LYS 119 CO -0.35 0.47 -0.09 0.66 -0.57 0.00 0.00 179.45 179.58 1jx1 h SER 120 N 0.19 -0.20 0.00 0.86 4.64 -0.49 -1.61 113.55 116.94 1jx1 h SER 120 Ca 0.07 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1jx1 h SER 120 Cb 0.27 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1jx1 h SER 120 CO 0.00 -0.11 0.00 1.33 -0.87 0.00 0.00 176.83 177.18 1jx1 n VAL 121 N -5.18 0.00 -1.14 0.95 0.24 -0.40 -4.86 118.33 107.95 1jx1 n VAL 121 Ca -0.09 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.16 1jx1 n VAL 121 Cb 0.13 -0.61 -0.02 0.00 -1.47 0.00 0.00 33.84 31.87 1jx1 n VAL 121 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jx1 n GLY 122 N 0.21 0.74 2.77 7.63 0.00 -0.61 -4.98 105.19 110.96 1jx1 n GLY 122 Ca 0.12 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 1jx1 n GLY 122 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jx1 n THR 123 N -2.85 2.14 -2.87 2.61 -2.24 0.46 -4.88 114.28 106.65 1jx1 n THR 123 Ca -0.05 -5.05 -0.12 0.00 -2.27 0.00 0.00 64.05 56.56 1jx1 n THR 123 Cb 0.16 -2.18 0.03 0.00 -2.10 0.00 0.00 70.33 66.24 1jx1 n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jx1 n TYR 124 N 1.60 -2.36 -2.04 4.78 9.36 -1.25 -4.58 117.16 122.67 1jx1 n TYR 124 Ca 0.24 -2.37 0.00 0.00 3.32 0.00 0.00 57.90 59.09 1jx1 n TYR 124 Cb 0.37 1.03 0.00 0.00 -0.63 0.00 0.00 39.34 40.12 1jx1 n TYR 124 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1jx1 n GLY 125 N 1.20 1.66 0.36 2.98 0.00 -1.26 -4.85 105.19 105.28 1jx1 n GLY 125 Ca 0.12 -2.02 0.09 0.00 0.00 0.00 0.00 46.02 44.21 1jx1 n GLY 125 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jx1 h ASP 126 N 0.00 0.60 -0.38 1.61 3.32 -2.00 -2.16 116.42 117.41 1jx1 h ASP 126 Ca 0.00 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.96 1jx1 h ASP 126 Cb 0.00 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1jx1 h ASP 126 CO 0.00 0.37 -0.16 0.00 -1.72 0.00 0.00 179.24 177.73 1jx1 h ALA 127 N 1.62 0.53 -0.50 3.45 0.00 -1.99 -1.51 119.26 120.86 1jx1 h ALA 127 Ca 0.33 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1jx1 h ALA 127 Cb 0.40 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1jx1 h ALA 127 CO -0.12 0.45 -0.05 0.93 0.00 0.00 0.00 179.25 180.46 1jx1 h GLU 128 N 0.57 0.89 -0.03 0.00 3.07 -1.81 0.64 114.58 117.92 1jx1 h GLU 128 Ca 0.09 -0.28 -0.00 0.00 -0.50 0.00 0.00 59.36 58.66 1jx1 h GLU 128 Cb 0.70 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1jx1 h GLU 128 CO 0.05 0.92 0.01 0.00 -1.40 0.00 0.00 179.01 178.59 1jx1 h ALA 129 N 1.12 0.04 -0.84 3.43 0.00 -1.27 0.21 119.26 121.94 1jx1 h ALA 129 Ca 0.14 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1jx1 h ALA 129 Cb 0.56 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1jx1 h ALA 129 CO 0.03 -0.41 0.51 0.93 0.00 0.00 0.00 179.25 180.31 1jx1 h GLU 130 N -0.06 0.89 -0.87 0.00 5.08 -1.08 0.17 114.58 118.71 1jx1 h GLU 130 Ca 0.01 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1jx1 h GLU 130 Cb 0.10 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1jx1 h GLU 130 CO -0.00 0.59 0.56 0.00 -1.00 0.00 0.00 179.01 179.16 1jx1 h ALA 131 N 1.41 1.36 0.00 3.43 0.00 -0.36 -1.86 119.26 123.24 1jx1 h ALA 131 Ca 0.38 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 1jx1 h ALA 131 Cb 0.22 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1jx1 h ALA 131 CO -0.19 0.58 -0.72 0.52 0.00 0.00 0.00 179.25 179.44 1jx1 h MET 132 N 1.18 0.00 -0.04 0.00 2.86 0.11 -2.12 114.93 116.91 1jx1 h MET 132 Ca 0.32 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.80 1jx1 h MET 132 Cb -0.12 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 1jx1 h MET 132 CO -0.07 0.72 -0.66 0.37 1.06 0.00 0.00 176.91 178.34 1jx1 h GLN 133 N 0.00 0.19 0.00 1.72 5.75 -0.72 0.63 115.11 122.68 1jx1 h GLN 133 Ca -0.01 -0.15 -0.16 0.00 -0.15 0.00 0.00 58.65 58.19 1jx1 h GLN 133 Cb 1.40 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.95 1jx1 h GLN 133 CO 0.09 0.78 -0.74 -0.22 -2.65 0.00 0.00 178.83 176.10 1jx1 h LYS 134 N 0.14 0.00 -0.23 1.69 3.64 -1.31 0.22 116.57 120.71 1jx1 h LYS 134 Ca -0.01 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 1jx1 h LYS 134 Cb 1.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1jx1 h LYS 134 CO 0.10 0.74 -0.45 0.35 -2.27 0.00 0.00 179.45 177.92 1jx1 h PHE 135 N 0.00 0.70 -0.12 1.91 3.57 -0.95 -1.59 116.94 120.47 1jx1 h PHE 135 Ca -0.01 -0.22 -0.09 0.00 3.53 0.00 0.00 57.97 61.18 1jx1 h PHE 135 Cb 1.36 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1jx1 h PHE 135 CO 0.00 0.93 -0.29 0.00 -2.23 0.00 0.00 178.31 176.72 1jx1 h ALA 136 N 1.04 0.20 -0.98 2.41 0.00 -0.53 -3.21 119.26 118.18 1jx1 h ALA 136 Ca 0.03 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.55 1jx1 h ALA 136 Cb 0.97 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1jx1 h ALA 136 CO 0.09 0.21 0.64 0.93 0.00 0.00 0.00 179.25 181.12 1jx1 h GLU 137 N -0.01 1.26 -0.13 0.00 4.39 -0.48 -2.52 114.58 117.08 1jx1 h GLU 137 Ca -0.00 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 1jx1 h GLU 137 Cb 0.89 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1jx1 h GLU 137 CO 0.06 0.83 -0.09 0.00 -1.16 0.00 0.00 179.01 178.66 1jx1 h ALA 138 N 1.40 1.62 0.00 3.43 0.00 -1.30 -2.91 119.26 121.50 1jx1 h ALA 138 Ca 0.37 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jx1 h ALA 138 Cb -0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1jx1 h ALA 138 CO -0.09 0.28 -0.67 0.74 0.00 0.00 0.00 179.25 179.51 1jx1 h PHE 139 N 0.19 0.00 -0.83 0.00 -1.00 -1.47 -3.41 116.94 110.41 1jx1 h PHE 139 Ca 0.04 0.00 0.12 0.00 2.81 0.00 0.00 57.97 60.94 1jx1 h PHE 139 Cb 0.28 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.78 1jx1 h PHE 139 CO 0.00 0.00 0.54 0.87 -1.61 0.00 0.00 178.31 178.11 1jx1 h LYS 140 N 0.00 0.65 -0.50 1.51 1.57 -1.25 -2.98 116.57 115.57 1jx1 h LYS 140 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1jx1 h LYS 140 Cb 0.89 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1jx1 h LYS 140 CO 0.00 0.43 0.00 -0.35 -0.57 0.00 0.00 179.45 178.96 1jx1 n PRO 141 N -4.53 4.41 -4.43 3.15 -0.04 -1.26 -4.66 135.00 127.64 1jx1 n PRO 141 Ca 0.15 -3.09 -0.26 0.00 -0.04 0.00 0.00 63.50 60.26 1jx1 n PRO 141 Cb 0.41 -2.16 -0.11 0.00 -0.04 0.00 0.00 33.50 31.60 1jx1 n PRO 141 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1jx1 s VAL 142 N -2.77 2.39 -0.04 0.52 -7.23 -1.13 -5.03 120.40 107.12 1jx1 s VAL 142 Ca 0.52 -2.08 0.02 0.00 -1.81 0.00 0.00 61.98 58.63 1jx1 s VAL 142 Cb 0.40 -2.16 0.01 0.00 0.56 0.00 0.00 36.38 35.18 1jx1 s VAL 142 CO 0.14 -0.16 -0.10 0.21 -0.31 0.00 0.00 175.10 174.89 1jx1 s ASN 143 N -2.80 1.41 -0.44 4.85 2.47 -1.26 0.44 114.94 119.62 1jx1 s ASN 143 Ca 0.22 -0.22 -0.10 0.00 0.42 0.00 0.00 52.86 53.18 1jx1 s ASN 143 Cb -0.07 -0.53 0.08 0.00 -1.45 0.00 0.00 41.25 39.28 1jx1 s ASN 143 CO 0.11 0.04 0.29 -0.36 -3.72 0.00 0.00 177.10 173.46 1jx1 s PHE 144 N 0.46 3.34 0.88 0.43 0.40 0.32 -4.95 117.98 118.86 1jx1 s PHE 144 Ca -0.08 -1.50 -0.12 0.00 -0.60 0.00 0.00 56.93 54.63 1jx1 s PHE 144 Cb -0.12 -3.08 0.16 0.00 0.51 0.00 0.00 43.02 40.49 1jx1 s PHE 144 CO 0.02 -0.87 1.21 -2.14 0.70 0.00 0.00 175.22 174.14 1jx1 s PRO 145 N 1.44 1.10 0.55 0.24 0.02 -1.26 -0.75 135.00 136.35 1jx1 s PRO 145 Ca 0.04 -0.51 -0.19 0.00 0.02 0.00 0.00 61.00 60.35 1jx1 s PRO 145 Cb -0.24 -1.99 -0.08 0.00 0.02 0.00 0.00 34.50 32.22 1jx1 s PRO 145 CO 0.02 -2.04 0.74 -2.30 -0.33 0.00 0.00 177.00 173.09 1jx1 n PRO 146 N -3.46 0.75 0.00 5.54 -0.02 -1.26 -1.59 135.00 134.96 1jx1 n PRO 146 Ca 0.14 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1jx1 n PRO 146 Cb 0.60 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1jx1 n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jx1 n GLY 147 N 1.53 2.92 3.79 -1.23 0.00 -0.00 -4.94 105.19 107.26 1jx1 n GLY 147 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1jx1 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jx1 s ALA 148 N -0.98 2.85 0.18 4.61 0.00 -0.62 -3.76 121.76 124.04 1jx1 s ALA 148 Ca 0.00 0.72 0.04 0.00 0.00 0.00 0.00 51.96 52.72 1jx1 s ALA 148 Cb 0.00 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 1jx1 s ALA 148 CO 0.00 -0.49 -0.05 -1.12 0.00 0.00 0.00 175.76 174.11 1jx1 s SER 149 N -1.80 1.70 -0.09 0.00 0.01 -0.93 -0.51 113.70 112.08 1jx1 s SER 149 Ca 0.68 -1.12 0.02 0.00 1.31 0.00 0.00 55.95 56.84 1jx1 s SER 149 Cb -0.21 0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.05 1jx1 s SER 149 CO 0.25 -0.44 -0.17 0.54 0.41 0.00 0.00 173.24 173.83 1jx1 s VAL 150 N -3.42 1.55 -0.22 3.43 0.11 0.99 -0.92 120.40 121.91 1jx1 s VAL 150 Ca 0.22 -0.70 -0.08 0.00 -2.93 0.00 0.00 61.98 58.49 1jx1 s VAL 150 Cb 0.04 -1.39 -0.04 0.00 -1.53 0.00 0.00 36.38 33.46 1jx1 s VAL 150 CO 0.04 0.45 0.08 -0.36 -3.33 0.00 0.00 175.10 171.98 1jx1 s PHE 151 N 0.72 3.17 -0.32 1.54 0.08 0.30 -1.07 117.98 122.40 1jx1 s PHE 151 Ca -0.12 -0.14 -0.09 0.00 0.12 0.00 0.00 56.93 56.70 1jx1 s PHE 151 Cb -0.16 -2.18 0.01 0.00 -0.57 0.00 0.00 43.02 40.12 1jx1 s PHE 151 CO 0.03 -0.10 0.14 0.71 -0.10 0.00 0.00 175.22 175.90 1jx1 s TYR 152 N 1.06 3.19 -0.44 0.36 1.51 0.12 -1.16 117.35 121.98 1jx1 s TYR 152 Ca 0.04 -0.79 -0.11 0.00 -1.01 0.00 0.00 57.07 55.20 1jx1 s TYR 152 Cb -0.14 -2.35 0.08 0.00 -0.11 0.00 0.00 41.96 39.44 1jx1 s TYR 152 CO 0.03 -0.54 0.31 0.50 -1.11 0.00 0.00 175.55 174.74 1jx1 s ARG 153 N 1.56 2.72 -0.79 -0.62 3.52 0.10 -0.85 118.95 124.59 1jx1 s ARG 153 Ca 0.03 -1.45 -0.19 0.00 -0.13 0.00 0.00 55.73 53.99 1jx1 s ARG 153 Cb -0.18 -3.90 0.12 0.00 -1.56 0.00 0.00 34.95 29.43 1jx1 s ARG 153 CO 0.05 -1.00 0.96 -1.14 -0.81 0.00 0.00 175.30 173.37 1jx1 s GLN 154 N 1.49 3.37 0.17 5.12 0.74 0.22 0.11 119.66 130.89 1jx1 s GLN 154 Ca 0.03 -1.54 -0.30 0.00 0.05 0.00 0.00 55.36 53.61 1jx1 s GLN 154 Cb -0.24 -4.58 -0.07 0.00 1.10 0.00 0.00 33.01 29.22 1jx1 s GLN 154 CO 0.03 -1.69 1.07 0.45 -0.55 0.00 0.00 175.29 174.61 1jx1 s SER 155 N 3.50 7.32 0.08 6.67 0.15 0.10 -2.13 113.70 129.38 1jx1 s SER 155 Ca 0.24 2.04 0.05 0.00 0.70 0.00 0.00 55.95 58.99 1jx1 s SER 155 Cb -0.12 -2.60 0.29 0.00 -1.71 0.00 0.00 66.02 61.88 1jx1 s SER 155 CO -0.02 -0.18 1.16 -0.81 1.20 0.00 0.00 173.24 174.60 1jx1 n PRO 156 N 2.36 0.03 -0.53 5.44 -0.04 -1.26 -2.29 135.00 138.72 1jx1 n PRO 156 Ca 0.02 0.53 -0.06 0.00 -0.04 0.00 0.00 63.50 63.96 1jx1 n PRO 156 Cb 0.47 -1.61 0.13 0.00 -0.04 0.00 0.00 33.50 32.44 1jx1 n PRO 156 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1jx1 n ASP 157 N -1.69 3.33 -1.54 3.54 8.00 -1.26 -4.86 116.55 122.08 1jx1 n ASP 157 Ca -0.00 -2.64 -0.08 0.00 0.71 0.00 0.00 54.79 52.77 1jx1 n ASP 157 Cb 0.01 -0.63 0.03 0.00 -0.02 0.00 0.00 41.12 40.50 1jx1 n ASP 157 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jx1 n GLY 158 N -0.05 0.39 2.87 0.44 0.00 -0.97 -4.96 105.19 102.90 1jx1 n GLY 158 Ca 0.23 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 1jx1 n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jx1 s ILE 159 N -3.04 -0.01 -0.28 -0.61 1.01 -1.18 -2.57 121.20 114.51 1jx1 s ILE 159 Ca 0.19 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.82 1jx1 s ILE 159 Cb -0.08 -0.04 0.01 0.00 0.01 0.00 0.00 42.46 42.36 1jx1 s ILE 159 CO 0.24 0.01 0.04 -0.22 0.00 0.00 0.00 174.94 175.01 1jx1 s LEU 160 N 0.16 3.67 -0.04 2.97 2.96 -0.28 0.01 118.68 128.13 1jx1 s LEU 160 Ca -0.01 -0.77 -0.15 0.00 -0.22 0.00 0.00 54.13 52.98 1jx1 s LEU 160 Cb -0.02 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 1jx1 s LEU 160 CO -0.00 -0.18 0.38 -0.83 -1.32 0.00 0.00 176.35 174.40 1jx1 s GLY 161 N 1.44 2.41 -0.18 7.98 0.00 0.30 0.25 107.32 119.53 1jx1 s GLY 161 Ca 0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 44.72 44.46 1jx1 s GLY 161 CO 0.00 0.24 -0.14 1.08 0.00 0.00 0.00 173.10 174.28 1jx1 s LEU 162 N -0.64 2.45 -0.02 0.66 1.43 0.19 0.03 118.68 122.79 1jx1 s LEU 162 Ca 0.23 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1jx1 s LEU 162 Cb -0.16 -1.57 -0.00 0.00 0.03 0.00 0.00 46.19 44.49 1jx1 s LEU 162 CO 0.11 0.04 -0.12 -0.44 0.23 0.00 0.00 176.35 176.17 1jx1 s SER 163 N 1.11 1.49 -0.04 2.29 0.01 -0.31 0.78 113.70 119.03 1jx1 s SER 163 Ca 0.00 -0.23 0.05 0.00 1.31 0.00 0.00 55.95 57.08 1jx1 s SER 163 Cb -0.14 -0.28 -0.02 0.00 0.21 0.00 0.00 66.02 65.78 1jx1 s SER 163 CO -0.05 0.12 -0.20 -0.36 0.41 0.00 0.00 173.24 173.17 1jx1 s PHE 164 N -0.08 2.54 0.09 2.43 0.40 -1.26 0.11 117.98 122.22 1jx1 s PHE 164 Ca 0.01 -0.32 0.04 0.00 -0.60 0.00 0.00 56.93 56.07 1jx1 s PHE 164 Cb -0.07 -1.58 -0.03 0.00 0.51 0.00 0.00 43.02 41.84 1jx1 s PHE 164 CO 0.00 0.06 -0.11 0.45 0.70 0.00 0.00 175.22 176.32 1jx1 s SER 165 N -0.62 1.55 0.45 1.36 0.15 -0.10 -4.77 113.70 111.72 1jx1 s SER 165 Ca 0.09 -0.75 0.24 0.00 0.70 0.00 0.00 55.95 56.24 1jx1 s SER 165 Cb -0.11 -0.02 0.50 0.00 -1.71 0.00 0.00 66.02 64.69 1jx1 s SER 165 CO 0.00 -0.20 1.67 -0.65 1.20 0.00 0.00 173.24 175.26 1jx1 h PRO 166 N 3.79 0.00 0.00 5.44 0.11 -1.87 -2.47 132.00 137.01 1jx1 h PRO 166 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1jx1 h PRO 166 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1jx1 h PRO 166 CO 0.49 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 177.91 1jx1 n ASP 167 N -3.11 0.00 -1.23 -2.05 5.68 -1.26 -3.85 116.55 110.72 1jx1 n ASP 167 Ca 0.03 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.41 1jx1 n ASP 167 Cb 0.50 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.76 1jx1 n ASP 167 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1jx1 n THR 168 N 0.00 1.18 -3.02 2.12 -2.24 -1.25 -2.75 114.28 108.33 1jx1 n THR 168 Ca 0.00 -0.88 -0.40 0.00 -2.27 0.00 0.00 64.05 60.51 1jx1 n THR 168 Cb 0.00 0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 68.38 1jx1 n THR 168 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1jx1 s SER 169 N -0.89 7.19 -0.20 3.42 1.04 -1.26 -5.02 113.70 117.98 1jx1 s SER 169 Ca 0.41 1.42 -0.29 0.00 0.48 0.00 0.00 55.95 57.96 1jx1 s SER 169 Cb 0.24 -2.45 -0.02 0.00 0.10 0.00 0.00 66.02 63.89 1jx1 s SER 169 CO 0.23 0.05 1.43 -0.63 0.98 0.00 0.00 173.24 175.29 1jx1 s ILE 170 N -0.17 3.98 0.72 -1.02 1.01 -1.26 -4.71 121.20 119.75 1jx1 s ILE 170 Ca 0.37 1.15 -0.15 0.00 0.00 0.00 0.00 60.65 62.03 1jx1 s ILE 170 Cb -0.20 -3.88 0.03 0.00 0.01 0.00 0.00 42.46 38.42 1jx1 s ILE 170 CO 0.22 -0.25 1.17 -2.16 0.00 0.00 0.00 174.94 173.92 1jx1 s PRO 171 N 4.06 2.31 0.28 2.79 0.04 -1.26 -4.89 135.00 138.32 1jx1 s PRO 171 Ca 0.62 1.61 0.01 0.00 0.04 0.00 0.00 61.00 63.28 1jx1 s PRO 171 Cb -0.23 -1.87 0.40 0.00 0.04 0.00 0.00 34.50 32.84 1jx1 s PRO 171 CO 0.23 -1.67 1.75 0.93 0.04 0.00 0.00 177.00 178.28 1jx1 h GLU 172 N -0.27 0.62 -6.07 4.56 4.39 -1.96 -3.43 114.58 112.42 1jx1 h GLU 172 Ca -0.47 -0.19 -0.63 0.00 0.34 0.00 0.00 59.36 58.41 1jx1 h GLU 172 Cb 1.28 -0.06 -0.30 0.00 -0.10 0.00 0.00 28.75 29.57 1jx1 h GLU 172 CO 0.51 0.73 -0.86 0.15 -1.16 0.00 0.00 179.01 178.37 1jx1 s LYS 173 N -4.75 1.90 0.50 2.33 1.02 -1.26 -4.29 119.74 115.19 1jx1 s LYS 173 Ca -0.08 -0.79 -0.16 0.00 0.02 0.00 0.00 55.97 54.96 1jx1 s LYS 173 Cb 0.14 -1.78 -0.08 0.00 -0.52 0.00 0.00 37.83 35.60 1jx1 s LYS 173 CO 0.80 0.44 0.97 -1.21 -0.92 0.00 0.00 175.35 175.43 1jx1 s GLU 174 N -0.41 3.95 0.09 1.68 2.02 -1.26 -4.84 118.70 119.94 1jx1 s GLU 174 Ca 0.06 0.94 0.18 0.00 0.02 0.00 0.00 54.97 56.16 1jx1 s GLU 174 Cb -0.10 -2.15 -0.11 0.00 0.10 0.00 0.00 34.13 31.87 1jx1 s GLU 174 CO 0.00 -0.24 0.88 0.00 0.02 0.00 0.00 175.26 175.92 1jx1 h ALA 175 N 0.99 0.63 -2.34 5.21 0.00 -0.00 -3.48 119.26 120.27 1jx1 h ALA 175 Ca -0.47 -0.70 -0.04 0.00 0.00 0.00 0.00 54.91 53.70 1jx1 h ALA 175 Cb 1.18 0.22 -0.17 0.00 0.00 0.00 0.00 17.79 19.03 1jx1 h ALA 175 CO 0.62 0.76 0.20 0.00 0.00 0.00 0.00 179.25 180.83 1jx1 s ALA 176 N -3.00 -1.71 -0.14 0.00 0.00 -1.01 -5.00 121.76 110.90 1jx1 s ALA 176 Ca -0.02 1.04 0.02 0.00 0.00 0.00 0.00 51.96 53.00 1jx1 s ALA 176 Cb 0.09 0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.52 1jx1 s ALA 176 CO 0.81 -0.51 -0.20 -0.51 0.00 0.00 0.00 175.76 175.35 1jx1 s LEU 177 N -1.73 1.99 -0.45 0.00 1.43 -1.26 -0.63 118.68 118.03 1jx1 s LEU 177 Ca -0.07 -0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 52.34 1jx1 s LEU 177 Cb -0.00 -1.34 0.07 0.00 0.03 0.00 0.00 46.19 44.94 1jx1 s LEU 177 CO 0.02 0.05 0.34 -0.63 0.23 0.00 0.00 176.35 176.36 1jx1 s ILE 178 N 0.93 4.89 -1.24 -0.59 -1.09 0.14 -4.95 121.20 119.29 1jx1 s ILE 178 Ca -0.05 -1.13 -0.12 0.00 -2.23 0.00 0.00 60.65 57.11 1jx1 s ILE 178 Cb -0.15 -3.92 0.17 0.00 -1.58 0.00 0.00 42.46 36.98 1jx1 s ILE 178 CO -0.03 -0.52 1.60 -0.62 -1.23 0.00 0.00 174.94 174.13 1jx1 n GLU 179 N 5.10 3.45 -3.66 2.79 1.02 -1.26 -1.13 120.64 126.96 1jx1 n GLU 179 Ca -0.12 -3.72 -0.05 0.00 -0.02 0.00 0.00 57.16 53.25 1jx1 n GLU 179 Cb 0.44 -3.01 -0.07 0.00 -0.02 0.00 0.00 31.44 28.78 1jx1 n GLU 179 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1jx1 s ASN 180 N 2.16 -0.70 0.26 1.62 3.84 -1.06 -5.02 114.94 116.04 1jx1 s ASN 180 Ca 0.42 1.27 -0.04 0.00 0.21 0.00 0.00 52.86 54.72 1jx1 s ASN 180 Cb 0.02 1.71 0.32 0.00 -0.55 0.00 0.00 41.25 42.74 1jx1 s ASN 180 CO 0.00 -0.22 1.84 0.50 -2.79 0.00 0.00 177.10 176.43 1jx1 h LYS 181 N 7.93 1.04 0.04 0.43 1.63 -1.90 0.66 116.57 126.41 1jx1 h LYS 181 Ca -0.19 -0.16 -0.00 0.00 -0.85 0.00 0.00 60.65 59.44 1jx1 h LYS 181 Cb 1.12 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 1jx1 h LYS 181 CO 0.13 0.83 -0.02 0.00 -3.45 0.00 0.00 179.45 176.94 1jx1 h ALA 182 N 1.31 -0.06 -0.62 5.00 0.00 -1.93 -3.10 119.26 119.86 1jx1 h ALA 182 Ca 0.24 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1jx1 h ALA 182 Cb 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1jx1 h ALA 182 CO -0.03 -0.36 0.14 0.28 0.00 0.00 0.00 179.25 179.28 1jx1 h VAL 183 N -0.40 1.26 -0.84 0.00 2.07 -1.90 -2.56 116.25 113.87 1jx1 h VAL 183 Ca -0.01 -0.94 0.16 0.00 0.82 0.00 0.00 66.70 66.73 1jx1 h VAL 183 Cb 0.37 0.68 -0.16 0.00 -1.52 0.00 0.00 31.29 30.66 1jx1 h VAL 183 CO 0.01 0.35 -0.23 -0.24 0.02 0.00 0.00 177.57 177.48 1jx1 n SER 184 N -4.32 -0.35 -0.84 0.57 2.88 0.22 -0.88 113.62 110.90 1jx1 n SER 184 Ca 0.03 1.45 0.09 0.00 -1.33 0.00 0.00 58.87 59.12 1jx1 n SER 184 Cb 0.25 -0.42 0.12 0.00 -0.75 0.00 0.00 64.21 63.42 1jx1 n SER 184 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1jx1 n SER 185 N -5.35 2.83 -0.22 -3.46 3.41 -1.16 -4.55 113.62 105.12 1jx1 n SER 185 Ca 0.13 -1.84 -0.07 0.00 -0.26 0.00 0.00 58.87 56.82 1jx1 n SER 185 Cb 0.41 -0.10 0.03 0.00 -0.26 0.00 0.00 64.21 64.29 1jx1 n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jx1 h ALA 186 N 3.66 0.78 0.10 7.33 0.00 -0.58 -2.09 119.26 128.47 1jx1 h ALA 186 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1jx1 h ALA 186 Cb 0.82 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1jx1 h ALA 186 CO 0.00 0.33 -0.28 0.28 0.00 0.00 0.00 179.25 179.59 1jx1 h VAL 187 N 0.83 0.39 -0.40 0.00 2.07 -1.80 -0.84 116.25 116.51 1jx1 h VAL 187 Ca 0.21 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.69 1jx1 h VAL 187 Cb 0.09 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1jx1 h VAL 187 CO -0.03 0.00 0.05 0.25 0.02 0.00 0.00 177.57 177.86 1jx1 h LEU 188 N -0.48 0.56 -0.39 2.57 5.85 -1.86 -2.31 115.31 119.24 1jx1 h LEU 188 Ca 0.04 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.73 1jx1 h LEU 188 Cb 0.52 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 1jx1 h LEU 188 CO -0.17 0.60 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.41 1jx1 h GLU 189 N 0.58 0.06 0.00 1.25 4.57 -0.57 0.24 114.58 120.72 1jx1 h GLU 189 Ca 0.13 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1jx1 h GLU 189 Cb 0.29 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1jx1 h GLU 189 CO 0.00 0.04 0.00 0.25 -1.18 0.00 0.00 179.01 178.13 1jx1 n THR 190 N -5.23 0.99 -0.10 0.32 -2.24 -0.41 0.66 114.28 108.27 1jx1 n THR 190 Ca 0.02 0.43 -0.10 0.00 -2.27 0.00 0.00 64.05 62.13 1jx1 n THR 190 Cb 0.21 -1.37 -0.16 0.00 -2.10 0.00 0.00 70.33 66.91 1jx1 n THR 190 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1jx1 n MET 191 N -2.14 0.69 0.00 -0.78 2.81 0.63 -4.69 117.12 113.64 1jx1 n MET 191 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 1jx1 n MET 191 Cb 0.14 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 1jx1 n MET 191 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1jx1 n ILE 192 N -2.78 0.00 -0.91 2.02 -5.35 0.01 -4.69 119.36 107.67 1jx1 n ILE 192 Ca -0.33 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.10 1jx1 n ILE 192 Cb 1.15 0.91 0.04 0.00 -1.74 0.00 0.00 39.64 40.00 1jx1 n ILE 192 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jx1 n GLY 193 N 0.00 -1.77 0.07 3.28 0.00 0.21 -4.90 105.19 102.08 1jx1 n GLY 193 Ca 0.00 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 1jx1 n GLY 193 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jx1 h GLU 194 N 0.00 -0.04 -1.00 1.61 4.81 -1.97 -3.27 114.58 114.73 1jx1 h GLU 194 Ca -0.07 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1jx1 h GLU 194 Cb 0.20 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1jx1 h GLU 194 CO 0.05 0.50 0.04 0.72 -0.73 0.00 0.00 179.01 179.59 1jx1 n HIS 195 N -4.84 0.21 -3.73 0.92 8.25 -1.26 -4.80 115.22 109.96 1jx1 n HIS 195 Ca -0.09 -0.51 -0.35 0.00 -0.26 0.00 0.00 57.72 56.51 1jx1 n HIS 195 Cb 0.28 -0.27 -0.08 0.00 1.12 0.00 0.00 29.99 31.04 1jx1 n HIS 195 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jx1 s ALA 196 N -0.38 3.70 -0.04 -1.41 0.00 -1.24 -5.00 121.76 117.39 1jx1 s ALA 196 Ca 0.04 -0.69 -0.17 0.00 0.00 0.00 0.00 51.96 51.15 1jx1 s ALA 196 Cb 0.03 -2.17 -0.10 0.00 0.00 0.00 0.00 23.12 20.89 1jx1 s ALA 196 CO 0.01 0.18 0.70 0.28 0.00 0.00 0.00 175.76 176.93 1jx1 h VAL 197 N 4.64 0.24 -2.57 0.00 2.07 -1.87 -3.44 116.25 115.32 1jx1 h VAL 197 Ca -0.42 -0.74 -0.53 0.00 0.82 0.00 0.00 66.70 65.84 1jx1 h VAL 197 Cb 1.15 0.39 0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1jx1 h VAL 197 CO 0.75 0.06 1.08 -0.44 0.02 0.00 0.00 177.57 179.05 1jx1 s SER 198 N -5.08 6.48 0.00 0.57 0.01 -1.26 -4.89 113.70 109.53 1jx1 s SER 198 Ca -0.09 2.67 0.22 0.00 1.31 0.00 0.00 55.95 60.06 1jx1 s SER 198 Cb 0.01 -2.56 0.08 0.00 0.21 0.00 0.00 66.02 63.75 1jx1 s SER 198 CO 0.31 -0.97 1.14 -0.81 0.41 0.00 0.00 173.24 173.31 1jx1 n PRO 199 N 5.76 1.70 -0.25 12.44 -0.04 -1.26 -4.70 135.00 148.66 1jx1 n PRO 199 Ca 0.17 -1.39 -0.07 0.00 -0.04 0.00 0.00 63.50 62.17 1jx1 n PRO 199 Cb 0.39 -1.45 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 1jx1 n PRO 199 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1jx1 h ASP 200 N 3.37 -1.44 -0.52 3.54 3.04 -1.93 -1.40 116.42 121.08 1jx1 h ASP 200 Ca 0.00 0.26 -0.02 0.00 -3.24 0.00 0.00 57.03 54.02 1jx1 h ASP 200 Cb 0.84 0.68 -0.02 0.00 -1.04 0.00 0.00 39.33 39.79 1jx1 h ASP 200 CO 0.00 -0.31 0.24 -0.07 -2.04 0.00 0.00 179.24 177.05 1jx1 h LEU 201 N -0.16 0.69 -1.15 0.15 -0.00 -1.85 -2.59 115.31 110.40 1jx1 h LEU 201 Ca 0.22 -0.14 0.07 0.00 -0.00 0.00 0.00 57.88 58.02 1jx1 h LEU 201 Cb 0.56 -0.18 -0.06 0.00 -0.00 0.00 0.00 40.66 40.98 1jx1 h LEU 201 CO -0.75 0.64 0.59 0.11 -0.00 0.00 0.00 178.44 179.03 1jx1 h LYS 202 N 0.69 0.99 -0.34 1.13 1.57 -1.69 -0.46 116.57 118.47 1jx1 h LYS 202 Ca 0.18 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 1jx1 h LYS 202 Cb 0.15 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1jx1 h LYS 202 CO -0.02 0.65 -0.12 -0.09 -0.57 0.00 0.00 179.45 179.31 1jx1 h ARG 203 N 1.02 0.58 0.22 3.15 2.43 -0.97 -1.56 114.38 119.25 1jx1 h ARG 203 Ca 0.39 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1jx1 h ARG 203 Cb 0.21 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1jx1 h ARG 203 CO -0.15 0.69 -0.11 0.00 -1.51 0.00 0.00 179.97 178.89 1jx1 h LEU 205 N -0.71 -0.95 -0.84 0.00 3.38 -0.88 0.20 115.31 115.52 1jx1 h LEU 205 Ca -0.03 0.11 0.20 0.00 0.09 0.00 0.00 57.88 58.25 1jx1 h LEU 205 Cb 0.49 0.36 -0.12 0.00 0.09 0.00 0.00 40.66 41.47 1jx1 h LEU 205 CO 0.05 -0.42 0.29 0.00 0.09 0.00 0.00 178.44 178.45 1jx1 h ALA 206 N 0.06 1.24 -0.11 1.53 0.00 -1.34 -1.96 119.26 118.68 1jx1 h ALA 206 Ca 0.03 0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 1jx1 h ALA 206 Cb 0.59 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1jx1 h ALA 206 CO -0.18 -0.36 -0.63 0.00 0.00 0.00 0.00 179.25 178.07 1jx1 h ALA 207 N 1.69 0.22 0.00 0.00 0.00 -0.73 -3.36 119.26 117.08 1jx1 h ALA 207 Ca 0.51 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jx1 h ALA 207 Cb 0.95 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1jx1 h ALA 207 CO -0.55 0.49 -0.42 0.00 0.00 0.00 0.00 179.25 178.77 1jx1 h ARG 208 N 0.26 0.00 0.05 0.00 3.08 -0.24 -3.39 114.38 114.13 1jx1 h ARG 208 Ca -0.05 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.85 1jx1 h ARG 208 Cb 1.28 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.34 1jx1 h ARG 208 CO 0.13 0.00 -0.63 -0.07 -1.07 0.00 0.00 179.97 178.33 1jx1 h LEU 209 N 0.00 0.47 -0.97 3.04 -0.00 -1.52 -3.37 115.31 112.96 1jx1 h LEU 209 Ca 0.00 -0.83 0.28 0.00 -0.00 0.00 0.00 57.88 57.32 1jx1 h LEU 209 Cb 0.98 -0.15 -0.18 0.00 -0.00 0.00 0.00 40.66 41.32 1jx1 h LEU 209 CO 0.00 1.25 0.10 -0.65 -0.00 0.00 0.00 178.44 179.14 1jx1 h PRO 210 N -0.25 0.03 -0.22 1.13 0.11 -1.76 0.52 132.00 131.56 1jx1 h PRO 210 Ca -0.09 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.93 1jx1 h PRO 210 Cb 1.39 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.48 1jx1 h PRO 210 CO 0.12 0.02 -0.24 0.00 -0.21 0.00 0.00 178.00 177.69 1jx1 h ALA 211 N 1.95 1.17 0.13 -0.75 0.00 -1.83 -2.50 119.26 117.43 1jx1 h ALA 211 Ca 0.61 -0.33 -0.31 0.00 0.00 0.00 0.00 54.91 54.89 1jx1 h ALA 211 Cb 1.30 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1jx1 h ALA 211 CO -0.87 0.53 -1.53 -0.07 0.00 0.00 0.00 179.25 177.31 1jx1 h LEU 212 N 0.37 0.42 -0.03 0.00 3.38 -0.77 -3.17 115.31 115.52 1jx1 h LEU 212 Ca 0.06 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1jx1 h LEU 212 Cb 0.63 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1jx1 h LEU 212 CO 0.04 1.48 0.00 0.18 0.09 0.00 0.00 178.44 180.23 1jx1 n LEU 213 N -3.48 0.01 -0.01 1.67 4.77 0.15 -2.34 117.00 117.77 1jx1 n LEU 213 Ca -0.16 0.51 -0.20 0.00 -0.03 0.00 0.00 56.01 56.12 1jx1 n LEU 213 Cb 1.05 -0.50 -0.14 0.00 -2.33 0.00 0.00 43.42 41.49 1jx1 n LEU 213 CO 0.51 -0.38 -0.86 0.59 -1.33 0.00 0.00 177.39 175.92 1jx1 n ASN 214 N -1.52 1.98 -0.49 -1.43 3.02 -0.95 -4.61 115.26 111.26 1jx1 n ASN 214 Ca 0.02 0.18 0.14 0.00 -0.03 0.00 0.00 54.58 54.89 1jx1 n ASN 214 Cb 0.09 -0.72 0.52 0.00 -0.61 0.00 0.00 39.78 39.06 1jx1 n ASN 214 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80