#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jx1 n ILE 5 N 0.00 1.98 -4.22 2.46 3.06 -1.26 -5.01 119.36 116.38 1jx1 n ILE 5 Ca 0.00 -0.50 -0.13 0.00 -2.50 0.00 0.00 62.75 59.62 1jx1 n ILE 5 Cb 0.00 -0.73 -0.10 0.00 0.54 0.00 0.00 39.64 39.35 1jx1 n ILE 5 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1jx1 s THR 6 N -1.17 0.02 0.53 9.51 -4.23 -1.26 -5.04 115.64 114.00 1jx1 s THR 6 Ca 0.61 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.02 1jx1 s THR 6 Cb -0.70 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 70.59 1jx1 s THR 6 CO 0.59 0.00 0.91 0.00 -0.54 0.00 0.00 174.62 175.58 1jx1 s ALA 7 N -4.04 3.23 -0.09 3.99 0.00 -1.26 -4.52 121.76 119.06 1jx1 s ALA 7 Ca 0.39 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.16 1jx1 s ALA 7 Cb 0.06 -2.88 0.02 0.00 0.00 0.00 0.00 23.12 20.33 1jx1 s ALA 7 CO 0.14 -0.43 -0.09 0.42 0.00 0.00 0.00 175.76 175.80 1jx1 s ILE 8 N -2.85 1.06 -0.23 0.00 1.01 -0.96 -4.98 121.20 114.25 1jx1 s ILE 8 Ca 0.53 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.74 1jx1 s ILE 8 Cb -0.11 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 1jx1 s ILE 8 CO 0.45 0.36 0.06 -0.89 0.00 0.00 0.00 174.94 174.92 1jx1 s THR 9 N 1.26 4.41 -0.21 2.92 2.01 -1.26 -0.99 115.64 123.78 1jx1 s THR 9 Ca -0.03 -0.15 -0.03 0.00 0.31 0.00 0.00 61.69 61.79 1jx1 s THR 9 Cb -0.14 -3.04 -0.00 0.00 0.01 0.00 0.00 72.50 69.33 1jx1 s THR 9 CO -0.03 0.37 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.51 1jx1 s VAL 10 N 1.26 3.16 -1.01 3.82 1.01 0.29 -4.77 120.40 124.15 1jx1 s VAL 10 Ca 0.05 -0.57 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 1jx1 s VAL 10 Cb -0.15 -2.42 0.03 0.00 0.00 0.00 0.00 36.38 33.85 1jx1 s VAL 10 CO 0.03 0.45 0.41 -0.62 0.00 0.00 0.00 175.10 175.37 1jx1 n GLU 11 N 4.70 -0.50 -1.07 2.72 -0.58 -1.26 0.78 120.64 125.43 1jx1 n GLU 11 Ca -0.19 -0.04 -0.03 0.00 -0.42 0.00 0.00 57.16 56.49 1jx1 n GLU 11 Cb 0.51 -1.95 -0.01 0.00 -0.57 0.00 0.00 31.44 29.42 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 -1.63 -4.25 -4.11 1.62 3.02 -1.26 -4.99 115.26 103.67 1jx1 n ASN 12 Ca -0.13 0.06 -0.33 0.00 -0.03 0.00 0.00 54.58 54.16 1jx1 n ASN 12 Cb 0.46 -1.97 -0.16 0.00 -0.61 0.00 0.00 39.78 37.51 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 -0.57 2.65 -0.11 3.41 1.43 0.23 -5.11 118.68 120.62 1jx1 s LEU 13 Ca 0.00 -0.91 -0.08 0.00 -1.03 0.00 0.00 54.13 52.11 1jx1 s LEU 13 Cb 0.00 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1jx1 s LEU 13 CO 0.00 -0.07 0.18 -0.70 0.23 0.00 0.00 176.35 175.99 1jx1 s GLU 14 N 1.23 3.54 -0.38 1.70 2.12 -1.26 -0.55 118.70 125.11 1jx1 s GLU 14 Ca 0.00 -0.05 -0.07 0.00 0.36 0.00 0.00 54.97 55.21 1jx1 s GLU 14 Cb -0.16 -3.20 0.06 0.00 0.26 0.00 0.00 34.13 31.09 1jx1 s GLU 14 CO -0.10 0.75 0.17 0.71 -0.54 0.00 0.00 175.26 176.25 1jx1 s TYR 15 N -0.98 3.31 0.67 5.30 1.51 -0.16 -5.01 117.35 122.00 1jx1 s TYR 15 Ca 0.16 -1.51 -0.17 0.00 -1.01 0.00 0.00 57.07 54.54 1jx1 s TYR 15 Cb -0.13 -2.61 -0.04 0.00 -0.11 0.00 0.00 41.96 39.07 1jx1 s TYR 15 CO 0.05 -0.79 0.69 -2.30 -1.11 0.00 0.00 175.55 172.09 1jx1 n PRO 16 N 4.84 0.49 0.20 -1.71 -0.02 -1.26 -2.27 135.00 135.27 1jx1 n PRO 16 Ca -0.11 0.21 0.05 0.00 -2.02 0.00 0.00 63.50 61.63 1jx1 n PRO 16 Cb 0.44 -1.93 0.40 0.00 -0.02 0.00 0.00 33.50 32.39 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 -0.06 1.19 -3.21 3.55 0.00 -1.94 -3.41 119.26 115.38 1jx1 h ALA 17 Ca -0.46 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 53.95 1jx1 h ALA 17 Cb 1.36 -0.06 -0.25 0.00 0.00 0.00 0.00 17.79 18.85 1jx1 h ALA 17 CO 0.46 0.43 -0.57 0.08 0.00 0.00 0.00 179.25 179.65 1jx1 s VAL 18 N -3.93 0.03 0.01 0.00 1.01 -1.26 0.50 120.40 116.77 1jx1 s VAL 18 Ca -0.02 -0.28 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 1jx1 s VAL 18 Cb 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.26 1jx1 s VAL 18 CO 0.69 -0.15 0.17 -0.69 0.00 0.00 0.00 175.10 175.12 1jx1 s VAL 19 N -0.48 0.09 -0.07 2.92 1.01 -0.57 -4.99 120.40 118.32 1jx1 s VAL 19 Ca -0.06 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1jx1 s VAL 19 Cb -0.04 -0.62 -0.00 0.00 0.00 0.00 0.00 36.38 35.72 1jx1 s VAL 19 CO 0.00 -0.41 -0.21 -0.89 0.00 0.00 0.00 175.10 173.60 1jx1 s THR 20 N -1.79 1.74 -0.32 3.92 2.01 -1.26 0.11 115.64 120.04 1jx1 s THR 20 Ca -0.11 -0.86 -0.28 0.00 0.31 0.00 0.00 61.69 60.74 1jx1 s THR 20 Cb -0.05 -1.50 0.02 0.00 0.01 0.00 0.00 72.50 70.98 1jx1 s THR 20 CO 0.00 0.49 1.05 -0.55 -0.69 0.00 0.00 174.62 174.92 1jx1 s SER 21 N 0.16 6.90 0.60 3.53 0.15 0.11 -4.90 113.70 120.25 1jx1 s SER 21 Ca -0.10 1.00 0.31 0.00 0.70 0.00 0.00 55.95 57.86 1jx1 s SER 21 Cb -0.15 -2.53 1.85 0.00 -1.71 0.00 0.00 66.02 63.48 1jx1 s SER 21 CO 0.05 -0.86 2.25 -0.65 1.20 0.00 0.00 173.24 175.23 1jx1 h PRO 22 N 8.10 0.00 0.08 5.44 0.11 -1.88 0.91 132.00 144.76 1jx1 h PRO 22 Ca -0.21 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.79 1jx1 h PRO 22 Cb 1.06 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.18 1jx1 h PRO 22 CO 1.02 0.00 -0.50 0.28 -0.21 0.00 0.00 178.00 178.59 1jx1 h VAL 23 N 0.00 1.61 0.00 3.15 2.07 -1.89 -3.39 116.25 117.80 1jx1 h VAL 23 Ca 0.01 -2.45 -0.07 0.00 0.82 0.00 0.00 66.70 65.01 1jx1 h VAL 23 Cb 0.06 3.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 1jx1 h VAL 23 CO -0.00 0.66 -1.95 0.35 0.02 0.00 0.00 177.57 176.65 1jx1 n THR 24 N -4.33 0.26 -0.30 2.57 -2.24 -1.11 -4.98 114.28 104.15 1jx1 n THR 24 Ca -0.13 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1jx1 n THR 24 Cb 0.68 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 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 1.51 1.32 3.83 3.38 0.00 0.31 -5.03 105.19 110.51 1jx1 n GLY 25 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.40 4.12 0.04 1.61 1.02 -1.25 -4.70 119.74 120.18 1jx1 s LYS 26 Ca 0.00 1.01 0.05 0.00 0.02 0.00 0.00 55.97 57.05 1jx1 s LYS 26 Cb 0.00 -2.20 -0.04 0.00 -0.52 0.00 0.00 37.83 35.08 1jx1 s LYS 26 CO 0.00 -0.07 -0.09 -1.12 -0.92 0.00 0.00 175.35 173.15 1jx1 s SER 27 N -2.44 4.49 0.09 2.83 0.01 -1.26 0.04 113.70 117.46 1jx1 s SER 27 Ca 0.60 -0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.64 1jx1 s SER 27 Cb -0.09 -0.97 -0.04 0.00 0.21 0.00 0.00 66.02 65.13 1jx1 s SER 27 CO 0.19 0.25 -0.07 -0.31 0.41 0.00 0.00 173.24 173.71 1jx1 s TYR 28 N -1.06 0.88 -0.02 2.43 1.51 0.12 -1.92 117.35 119.28 1jx1 s TYR 28 Ca 0.18 -0.89 0.03 0.00 -1.01 0.00 0.00 57.07 55.38 1jx1 s TYR 28 Cb -0.11 -0.51 -0.03 0.00 -0.11 0.00 0.00 41.96 41.20 1jx1 s TYR 28 CO 0.09 -0.15 -0.10 -0.59 -1.11 0.00 0.00 175.55 173.69 1jx1 s PHE 29 N -3.50 2.80 -0.11 2.71 -0.12 -0.20 -1.51 117.98 118.05 1jx1 s PHE 29 Ca 0.11 -0.09 -0.30 0.00 -0.05 0.00 0.00 56.93 56.60 1jx1 s PHE 29 Cb 0.04 -1.61 -0.08 0.00 -0.63 0.00 0.00 43.02 40.75 1jx1 s PHE 29 CO -0.05 0.30 2.09 -0.11 -0.05 0.00 0.00 175.22 177.41 1jx1 n LEU 30 N 1.87 3.58 -0.06 -1.99 7.94 0.18 -2.55 117.00 125.97 1jx1 n LEU 30 Ca -0.16 0.56 -0.10 0.00 -1.11 0.00 0.00 56.01 55.20 1jx1 n LEU 30 Cb 0.52 -1.51 -0.15 0.00 0.53 0.00 0.00 43.42 42.81 1jx1 n LEU 30 CO 0.28 -0.28 -0.84 0.61 -1.11 0.00 0.00 177.39 176.05 1jx1 n GLY 31 N 5.21 -0.97 3.63 -3.96 0.00 0.98 -4.95 105.19 105.13 1jx1 n GLY 31 Ca 0.26 -0.19 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 1jx1 n GLY 31 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jx1 s GLY 32 N -5.33 0.07 0.01 -0.02 0.00 -0.99 -3.44 107.32 97.62 1jx1 s GLY 32 Ca -0.08 2.81 -0.06 0.00 0.00 0.00 0.00 44.72 47.38 1jx1 s GLY 32 CO 0.82 1.25 0.11 0.00 0.00 0.00 0.00 173.10 175.28 1jx1 s ALA 33 N -0.83 -0.26 0.00 3.20 0.00 -1.26 0.87 121.76 123.48 1jx1 s ALA 33 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1jx1 s ALA 33 Cb -0.02 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1jx1 s ALA 33 CO -0.08 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1jx1 n GLY 34 N 1.47 1.40 3.53 0.00 0.00 -0.24 -4.81 105.19 106.54 1jx1 n GLY 34 Ca -0.23 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.47 1.91 0.07 1.61 -1.05 -1.26 -1.68 118.70 116.83 1jx1 s GLU 35 Ca 0.00 -1.28 0.06 0.00 -0.15 0.00 0.00 54.97 53.61 1jx1 s GLU 35 Cb 0.00 -2.10 -0.03 0.00 -0.44 0.00 0.00 34.13 31.56 1jx1 s GLU 35 CO 0.00 0.44 -0.17 1.03 0.95 0.00 0.00 175.26 177.52 1jx1 s ARG 36 N -2.61 0.97 0.00 -4.83 3.00 0.16 -4.85 118.95 110.80 1jx1 s ARG 36 Ca 0.22 -0.99 0.00 0.00 0.00 0.00 0.00 55.73 54.96 1jx1 s ARG 36 Cb -0.09 -1.07 0.00 0.00 0.00 0.00 0.00 34.95 33.79 1jx1 s ARG 36 CO 0.13 0.25 0.00 0.41 0.00 0.00 0.00 175.30 176.09 1jx1 n GLY 37 N 1.34 0.30 3.63 -3.53 0.00 -1.26 -1.17 105.19 104.50 1jx1 n GLY 37 Ca -0.20 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 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 3.25 -0.26 0.99 1.43 0.32 -4.88 118.68 119.53 1jx1 s LEU 38 Ca 0.00 -0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 1jx1 s LEU 38 Cb 0.00 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1jx1 s LEU 38 CO 0.00 0.19 0.30 0.42 0.23 0.00 0.00 176.35 177.50 1jx1 s THR 39 N -1.23 5.23 -0.10 5.49 -4.23 -1.26 0.15 115.64 119.70 1jx1 s THR 39 Ca 0.23 0.44 0.04 0.00 -1.18 0.00 0.00 61.69 61.21 1jx1 s THR 39 Cb -0.11 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.09 1jx1 s THR 39 CO 0.15 0.21 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.59 1jx1 s ILE 40 N 1.80 1.91 -1.40 2.99 -1.09 0.66 -4.72 121.20 121.35 1jx1 s ILE 40 Ca 0.12 -0.93 -0.03 0.00 -2.23 0.00 0.00 60.65 57.59 1jx1 s ILE 40 Cb -0.15 -1.66 0.00 0.00 -1.58 0.00 0.00 42.46 39.06 1jx1 s ILE 40 CO 0.09 0.53 0.39 -0.62 -1.23 0.00 0.00 174.94 174.10 1jx1 n GLU 41 N 3.63 -2.67 0.00 2.79 -0.58 -1.26 0.85 120.64 123.40 1jx1 n GLU 41 Ca -0.20 0.35 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 1jx1 n GLU 41 Cb 0.53 -4.28 0.00 0.00 -0.57 0.00 0.00 31.44 27.12 1jx1 n GLU 41 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jx1 n GLY 42 N -2.06 2.06 3.69 0.62 0.00 -1.26 -4.97 105.19 103.28 1jx1 n GLY 42 Ca -0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 1jx1 n GLY 42 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jx1 s ASN 43 N -2.25 6.51 -0.51 1.61 0.01 0.25 -5.03 114.94 115.52 1jx1 s ASN 43 Ca 0.00 0.60 -0.28 0.00 -0.71 0.00 0.00 52.86 52.47 1jx1 s ASN 43 Cb 0.00 -2.24 0.03 0.00 0.41 0.00 0.00 41.25 39.45 1jx1 s ASN 43 CO 0.00 -0.04 1.09 0.12 -1.51 0.00 0.00 177.10 176.76 1jx1 s PHE 44 N 1.04 2.78 -0.28 2.20 5.36 -1.26 0.24 117.98 128.06 1jx1 s PHE 44 Ca 0.21 0.50 -0.14 0.00 -0.96 0.00 0.00 56.93 56.54 1jx1 s PHE 44 Cb -0.15 -4.34 -0.04 0.00 -0.34 0.00 0.00 43.02 38.16 1jx1 s PHE 44 CO 0.08 -1.33 0.35 0.42 -1.46 0.00 0.00 175.22 173.28 1jx1 s ILE 45 N 4.40 5.19 -0.55 3.12 -1.09 0.40 -4.94 121.20 127.74 1jx1 s ILE 45 Ca 0.43 0.47 -0.28 0.00 -2.23 0.00 0.00 60.65 59.03 1jx1 s ILE 45 Cb -0.08 -3.69 0.03 0.00 -1.58 0.00 0.00 42.46 37.13 1jx1 s ILE 45 CO 0.28 0.14 1.25 -0.54 -1.23 0.00 0.00 174.94 174.84 1jx1 s LYS 46 N 2.03 3.51 -0.10 2.79 1.02 -1.26 -0.52 119.74 127.21 1jx1 s LYS 46 Ca 0.14 0.39 -0.03 0.00 0.02 0.00 0.00 55.97 56.49 1jx1 s LYS 46 Cb -0.16 -4.02 -0.26 0.00 -0.52 0.00 0.00 37.83 32.87 1jx1 s LYS 46 CO 0.10 -1.68 0.46 0.74 -0.92 0.00 0.00 175.35 174.05 1jx1 h PHE 47 N 9.89 0.41 -4.01 3.18 -1.00 -1.48 -3.39 116.94 120.54 1jx1 h PHE 47 Ca -0.25 -0.30 -0.30 0.00 2.81 0.00 0.00 57.97 59.93 1jx1 h PHE 47 Cb 1.07 -0.02 -0.07 0.00 3.61 0.00 0.00 35.95 40.54 1jx1 h PHE 47 CO 1.02 1.62 -0.20 0.00 -1.61 0.00 0.00 178.31 179.15 1jx1 n ALA 48 N -2.89 -0.10 -2.94 2.45 0.00 -0.47 -0.62 120.51 115.93 1jx1 n ALA 48 Ca -0.28 -1.55 -0.17 0.00 0.00 0.00 0.00 53.44 51.44 1jx1 n ALA 48 Cb 1.05 1.25 -0.15 0.00 0.00 0.00 0.00 19.45 21.60 1jx1 n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jx1 s ALA 49 N -2.80 0.54 0.00 0.00 0.00 -0.25 0.40 121.76 119.65 1jx1 s ALA 49 Ca 0.29 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 52.12 1jx1 s ALA 49 Cb -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1jx1 s ALA 49 CO 0.21 0.10 -0.26 0.42 0.00 0.00 0.00 175.76 176.22 1jx1 s ILE 50 N 0.09 2.08 -0.02 0.00 1.01 -0.68 -1.21 121.20 122.47 1jx1 s ILE 50 Ca -0.01 -1.20 0.05 0.00 0.00 0.00 0.00 60.65 59.49 1jx1 s ILE 50 Cb -0.05 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 1jx1 s ILE 50 CO -0.00 0.51 -0.17 -0.83 0.00 0.00 0.00 174.94 174.45 1jx1 s GLY 51 N -0.82 0.85 -0.20 6.18 0.00 0.49 -1.08 107.32 112.74 1jx1 s GLY 51 Ca 0.11 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.12 1jx1 s GLY 51 CO 0.00 -0.52 -0.16 0.14 0.00 0.00 0.00 173.10 172.55 1jx1 s VAL 52 N -0.26 2.28 -0.06 1.40 1.01 0.25 -0.12 120.40 124.89 1jx1 s VAL 52 Ca 0.03 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.06 1jx1 s VAL 52 Cb -0.08 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1jx1 s VAL 52 CO 0.00 0.44 -0.09 -0.31 0.00 0.00 0.00 175.10 175.15 1jx1 s TYR 53 N 1.29 2.88 0.05 5.22 1.51 0.74 -0.02 117.35 129.03 1jx1 s TYR 53 Ca 0.03 -0.02 0.08 0.00 -1.01 0.00 0.00 57.07 56.15 1jx1 s TYR 53 Cb -0.14 -1.69 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 1jx1 s TYR 53 CO -0.10 0.30 -0.21 -0.51 -1.11 0.00 0.00 175.55 173.91 1jx1 s LEU 54 N -0.81 2.46 0.29 -1.29 1.43 -1.06 -1.02 118.68 118.69 1jx1 s LEU 54 Ca 0.12 -0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 52.44 1jx1 s LEU 54 Cb -0.11 -1.43 -0.10 0.00 0.03 0.00 0.00 46.19 44.58 1jx1 s LEU 54 CO 0.01 0.25 1.29 -0.70 0.23 0.00 0.00 176.35 177.44 1jx1 s GLU 55 N -1.41 4.39 0.38 1.70 2.12 -0.60 -1.04 118.70 124.24 1jx1 s GLU 55 Ca 0.14 2.14 0.22 0.00 0.36 0.00 0.00 54.97 57.83 1jx1 s GLU 55 Cb -0.10 -3.11 1.31 0.00 0.26 0.00 0.00 34.13 32.49 1jx1 s GLU 55 CO 0.04 -0.17 1.61 0.38 -0.54 0.00 0.00 175.26 176.58 1jx1 h ASP 56 N 3.95 0.34 0.07 -1.70 -0.00 -1.66 1.48 116.42 118.91 1jx1 h ASP 56 Ca -0.48 0.21 0.00 0.00 -0.00 0.00 0.00 57.03 56.76 1jx1 h ASP 56 Cb 1.22 0.20 0.00 0.00 -0.00 0.00 0.00 39.33 40.75 1jx1 h ASP 56 CO 0.69 -0.30 0.00 2.30 -0.00 0.00 0.00 179.24 181.93 1jx1 n ILE 57 N -5.05 0.38 0.13 4.15 -5.35 -1.26 -2.69 119.36 109.68 1jx1 n ILE 57 Ca 0.37 0.09 -0.02 0.00 -0.27 0.00 0.00 62.75 62.92 1jx1 n ILE 57 Cb 1.27 -0.96 0.19 0.00 -1.74 0.00 0.00 39.64 38.40 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 2.48 1.02 0.71 -1.28 0.00 0.18 -3.09 119.26 119.27 1jx1 h ALA 58 Ca 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1jx1 h ALA 58 Cb 0.04 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1jx1 h ALA 58 CO 0.00 0.72 -0.34 0.28 0.00 0.00 0.00 179.25 179.90 1jx1 h VAL 59 N 0.04 0.16 -1.02 0.00 2.07 -1.70 -0.73 116.25 115.07 1jx1 h VAL 59 Ca -0.00 -0.23 0.25 0.00 0.82 0.00 0.00 66.70 67.54 1jx1 h VAL 59 Cb 1.03 0.20 -0.10 0.00 -1.52 0.00 0.00 31.29 30.90 1jx1 h VAL 59 CO 0.08 0.02 0.65 0.00 0.02 0.00 0.00 177.57 178.33 1jx1 h ALA 60 N -1.01 2.12 -0.37 1.67 0.00 -1.65 1.37 119.26 121.39 1jx1 h ALA 60 Ca -0.10 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1jx1 h ALA 60 Cb 0.76 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1jx1 h ALA 60 CO 0.16 -0.52 -0.02 1.03 0.00 0.00 0.00 179.25 179.90 1jx1 h SER 61 N 0.46 0.66 1.26 0.00 0.87 -1.41 -3.14 113.55 112.24 1jx1 h SER 61 Ca 0.59 -0.32 -0.14 0.00 -1.23 0.00 0.00 61.79 60.69 1jx1 h SER 61 Cb 1.38 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 1jx1 h SER 61 CO -0.32 0.82 -0.76 -0.07 -0.53 0.00 0.00 176.83 175.97 1jx1 h LEU 62 N 0.48 0.00 -0.73 2.23 3.38 0.84 -3.39 115.31 118.12 1jx1 h LEU 62 Ca 0.10 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.14 1jx1 h LEU 62 Cb 0.49 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.15 1jx1 h LEU 62 CO 0.02 0.64 -0.43 0.00 0.09 0.00 0.00 178.44 178.76 1jx1 n ALA 63 N -2.28 -0.47 0.16 1.53 0.00 0.44 -1.22 120.51 118.67 1jx1 n ALA 63 Ca -0.00 0.62 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1jx1 n ALA 63 Cb 0.80 0.03 0.02 0.00 0.00 0.00 0.00 19.45 20.30 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 -3.19 1.58 0.00 0.00 0.00 -1.26 -1.78 120.51 115.86 1jx1 n ALA 64 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1jx1 n ALA 64 Cb 0.19 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.63 1.57 0.00 0.00 4.81 -0.35 -4.90 118.16 118.66 1jx1 n LYS 65 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1jx1 n LYS 65 Cb 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 35.03 34.49 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 -0.59 0.00 -1.88 5.64 7.02 -0.57 -4.97 117.44 122.10 1jx1 n TRP 66 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 1jx1 n TRP 66 Cb 0.05 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 28.92 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 -0.51 4.19 0.00 -0.99 2.20 -0.74 -1.82 119.74 122.06 1jx1 s LYS 67 Ca 0.00 2.45 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 1jx1 s LYS 67 Cb 0.00 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 1jx1 s LYS 67 CO 0.00 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 174.83 1jx1 n GLY 68 N 2.55 2.13 3.83 5.54 0.00 -1.26 -5.02 105.19 112.96 1jx1 n GLY 68 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.67 3.20 0.10 1.61 -0.14 -0.76 -5.05 119.74 118.02 1jx1 s LYS 69 Ca 0.00 0.97 0.02 0.00 -1.36 0.00 0.00 55.97 55.60 1jx1 s LYS 69 Cb 0.00 -2.02 -0.04 0.00 -1.68 0.00 0.00 37.83 34.09 1jx1 s LYS 69 CO 0.00 -0.89 0.21 -1.54 -0.76 0.00 0.00 175.35 172.36 1jx1 s SER 70 N -3.60 6.15 0.27 2.83 1.04 -1.26 -4.82 113.70 114.32 1jx1 s SER 70 Ca 0.59 0.16 -0.07 0.00 0.48 0.00 0.00 55.95 57.11 1jx1 s SER 70 Cb -0.14 -1.83 0.48 0.00 0.10 0.00 0.00 66.02 64.64 1jx1 s SER 70 CO 0.49 0.13 1.58 0.28 0.98 0.00 0.00 173.24 176.70 1jx1 h SER 71 N 2.76 -0.75 0.06 7.02 0.02 -1.93 0.20 113.55 120.93 1jx1 h SER 71 Ca -0.47 0.27 0.03 0.00 -0.84 0.00 0.00 61.79 60.78 1jx1 h SER 71 Cb 1.17 0.54 -0.04 0.00 0.14 0.00 0.00 62.40 64.21 1jx1 h SER 71 CO 0.71 -0.31 -0.31 -0.33 -1.14 0.00 0.00 176.83 175.46 1jx1 h GLU 72 N 0.01 -0.48 -0.80 3.45 3.07 -1.94 0.18 114.58 118.08 1jx1 h GLU 72 Ca 0.47 0.03 0.05 0.00 -0.50 0.00 0.00 59.36 59.42 1jx1 h GLU 72 Cb 0.79 0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.76 1jx1 h GLU 72 CO -0.93 -0.32 0.52 0.93 -1.40 0.00 0.00 179.01 177.82 1jx1 h GLU 73 N -0.49 0.88 0.43 2.33 5.08 -1.11 -2.99 114.58 118.71 1jx1 h GLU 73 Ca 0.05 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1jx1 h GLU 73 Cb 0.55 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1jx1 h GLU 73 CO -0.22 0.58 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.10 1jx1 h LEU 74 N 0.91 -0.48 -1.59 1.33 3.38 0.03 -3.00 115.31 115.88 1jx1 h LEU 74 Ca 0.34 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1jx1 h LEU 74 Cb 0.17 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1jx1 h LEU 74 CO -0.11 -0.14 0.19 0.25 0.09 0.00 0.00 178.44 178.72 1jx1 h LEU 75 N -0.86 0.00 -2.85 1.67 5.85 -0.53 -0.11 115.31 118.48 1jx1 h LEU 75 Ca -0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1jx1 h LEU 75 Cb 0.56 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1jx1 h LEU 75 CO 0.10 0.00 0.00 -1.84 -0.34 0.00 0.00 178.44 176.36 1jx1 n GLU 76 N -2.46 2.78 -3.50 1.25 0.28 -1.21 -4.87 120.64 112.92 1jx1 n GLU 76 Ca -0.02 -1.78 -0.42 0.00 -0.16 0.00 0.00 57.16 54.79 1jx1 n GLU 76 Cb 0.23 -1.15 -0.06 0.00 1.43 0.00 0.00 31.44 31.88 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 -0.98 4.65 0.29 3.84 2.01 -0.06 -4.93 115.64 120.47 1jx1 s THR 77 Ca 0.13 -2.28 0.04 0.00 0.31 0.00 0.00 61.69 59.89 1jx1 s THR 77 Cb 0.07 -3.97 0.30 0.00 0.01 0.00 0.00 72.50 68.90 1jx1 s THR 77 CO 0.09 -0.90 1.68 -0.07 -0.69 0.00 0.00 174.62 174.74 1jx1 h LEU 78 N 7.91 0.27 -2.61 4.42 4.07 -1.89 0.12 115.31 127.60 1jx1 h LEU 78 Ca -0.07 0.17 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1jx1 h LEU 78 Cb 1.03 0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.94 1jx1 h LEU 78 CO 0.81 -0.05 0.05 -0.78 -1.08 0.00 0.00 178.44 177.39 1jx1 h ASP 79 N 0.35 0.00 0.05 -0.43 -0.00 -1.94 -0.60 116.42 113.85 1jx1 h ASP 79 Ca 0.57 0.00 -0.25 0.00 -0.00 0.00 0.00 57.03 57.35 1jx1 h ASP 79 Cb 1.13 0.00 0.02 0.00 -0.00 0.00 0.00 39.33 40.47 1jx1 h ASP 79 CO -0.56 0.00 -0.97 0.15 -0.00 0.00 0.00 179.24 177.85 1jx1 h PHE 80 N 0.00 0.96 0.07 0.28 3.04 -1.07 -2.58 116.94 117.64 1jx1 h PHE 80 Ca 0.00 -0.50 -0.28 0.00 3.98 0.00 0.00 57.97 61.17 1jx1 h PHE 80 Cb 0.11 -0.12 0.02 0.00 2.56 0.00 0.00 35.95 38.53 1jx1 h PHE 80 CO 0.00 1.33 -1.16 1.88 -2.02 0.00 0.00 178.31 178.34 1jx1 h TYR 81 N 0.39 0.96 -0.56 0.41 -1.99 -1.23 -2.61 116.97 112.35 1jx1 h TYR 81 Ca -0.11 -0.58 0.10 0.00 2.00 0.00 0.00 58.73 60.14 1jx1 h TYR 81 Cb 1.62 -0.09 -0.03 0.00 2.00 0.00 0.00 36.73 40.23 1jx1 h TYR 81 CO 0.09 1.42 0.38 0.00 -0.00 0.00 0.00 178.16 180.05 1jx1 h ARG 82 N 0.30 0.35 -0.48 4.88 3.08 -1.28 0.34 114.38 121.57 1jx1 h ARG 82 Ca -0.16 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.75 1jx1 h ARG 82 Cb 1.82 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.78 1jx1 h ARG 82 CO 0.22 0.23 -0.18 -0.44 -1.07 0.00 0.00 179.97 178.73 1jx1 h ASP 83 N 0.36 0.99 0.50 7.04 3.32 -1.26 -2.15 116.42 125.21 1jx1 h ASP 83 Ca 0.26 -0.38 -0.17 0.00 0.02 0.00 0.00 57.03 56.76 1jx1 h ASP 83 Cb 0.55 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1jx1 h ASP 83 CO -0.06 1.15 -0.72 0.40 -1.72 0.00 0.00 179.24 178.29 1jx1 h ILE 84 N 0.82 1.44 -0.12 0.35 2.04 -0.43 -1.18 117.51 120.44 1jx1 h ILE 84 Ca 0.11 -2.28 -0.11 0.00 1.00 0.00 0.00 64.86 63.58 1jx1 h ILE 84 Cb 0.75 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 1jx1 h ILE 84 CO 0.06 0.67 -0.37 0.40 0.00 0.00 0.00 178.15 178.91 1jx1 h ILE 85 N 0.12 1.38 -0.74 -0.67 2.04 -0.42 -3.28 117.51 115.93 1jx1 h ILE 85 Ca -0.02 -1.69 -0.47 0.00 1.00 0.00 0.00 64.86 63.69 1jx1 h ILE 85 Cb 1.28 2.13 -0.26 0.00 -0.74 0.00 0.00 36.82 39.22 1jx1 h ILE 85 CO 0.11 0.50 0.18 -1.20 0.00 0.00 0.00 178.15 177.74 1jx1 n SER 86 N -4.34 4.73 -4.77 1.72 7.64 -0.81 -4.92 113.62 112.86 1jx1 n SER 86 Ca -0.07 -3.75 -0.38 0.00 1.01 0.00 0.00 58.87 55.68 1jx1 n SER 86 Cb 0.52 -0.72 -0.05 0.00 -1.01 0.00 0.00 64.21 62.96 1jx1 n SER 86 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1jx1 s GLY 87 N -2.32 2.85 -0.92 0.23 0.00 -0.45 -4.92 107.32 101.79 1jx1 s GLY 87 Ca 0.54 0.66 -0.06 0.00 0.00 0.00 0.00 44.72 45.86 1jx1 s GLY 87 CO 0.02 1.13 2.43 -1.55 0.00 0.00 0.00 173.10 175.14 1jx1 n PRO 88 N 0.52 2.36 -3.47 2.90 -0.04 -1.26 -4.70 135.00 131.31 1jx1 n PRO 88 Ca 0.02 -1.50 -0.12 0.00 -0.04 0.00 0.00 63.50 61.86 1jx1 n PRO 88 Cb 0.49 -2.42 -0.03 0.00 -0.04 0.00 0.00 33.50 31.50 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 2.76 -0.48 0.40 0.54 -0.12 -1.26 -4.97 117.98 114.85 1jx1 s PHE 89 Ca 0.48 0.29 -0.23 0.00 -0.05 0.00 0.00 56.93 57.42 1jx1 s PHE 89 Cb 0.14 0.49 -0.10 0.00 -0.63 0.00 0.00 43.02 42.93 1jx1 s PHE 89 CO -0.03 -0.81 1.00 -2.00 -0.05 0.00 0.00 175.22 173.33 1jx1 s GLU 90 N -3.62 4.21 -0.04 1.99 2.12 -1.26 -4.36 118.70 117.74 1jx1 s GLU 90 Ca 0.01 1.37 0.05 0.00 0.36 0.00 0.00 54.97 56.75 1jx1 s GLU 90 Cb -0.00 -2.45 -0.01 0.00 0.26 0.00 0.00 34.13 31.93 1jx1 s GLU 90 CO -0.12 -0.07 -0.18 0.15 -0.54 0.00 0.00 175.26 174.50 1jx1 s LYS 91 N -2.66 1.84 -0.23 4.30 3.01 -0.35 -1.56 119.74 124.07 1jx1 s LYS 91 Ca 0.58 -0.65 0.02 0.00 -1.01 0.00 0.00 55.97 54.91 1jx1 s LYS 91 Cb -0.18 -1.61 0.05 0.00 -1.01 0.00 0.00 37.83 35.08 1jx1 s LYS 91 CO 0.22 0.28 -0.12 -1.17 0.51 0.00 0.00 175.35 175.08 1jx1 s LEU 92 N -0.05 2.96 -0.29 3.17 2.96 -0.18 0.37 118.68 127.62 1jx1 s LEU 92 Ca -0.02 -1.17 -0.09 0.00 -0.22 0.00 0.00 54.13 52.63 1jx1 s LEU 92 Cb -0.11 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 1jx1 s LEU 92 CO 0.02 -0.15 0.12 -0.63 -1.32 0.00 0.00 176.35 174.39 1jx1 s ILE 93 N 1.21 4.53 -0.23 6.68 1.01 -0.12 -0.18 121.20 134.09 1jx1 s ILE 93 Ca -0.05 -0.30 -0.06 0.00 0.00 0.00 0.00 60.65 60.24 1jx1 s ILE 93 Cb -0.18 -3.23 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 1jx1 s ILE 93 CO -0.07 0.18 0.02 -0.60 0.00 0.00 0.00 174.94 174.47 1jx1 s ARG 94 N 1.62 3.55 -0.19 2.79 3.00 0.82 -0.30 118.95 130.25 1jx1 s ARG 94 Ca 0.05 -0.53 -0.07 0.00 -1.00 0.00 0.00 55.73 54.18 1jx1 s ARG 94 Cb -0.16 -3.19 -0.04 0.00 0.00 0.00 0.00 34.95 31.56 1jx1 s ARG 94 CO 0.06 -0.17 0.05 0.20 0.00 0.00 0.00 175.30 175.44 1jx1 s GLY 95 N 1.49 1.86 0.09 8.12 0.00 0.15 -0.38 107.32 118.65 1jx1 s GLY 95 Ca 0.06 -0.81 0.08 0.00 0.00 0.00 0.00 44.72 44.05 1jx1 s GLY 95 CO 0.01 0.11 -0.22 -0.56 0.00 0.00 0.00 173.10 172.43 1jx1 s SER 96 N 0.54 2.69 -0.03 1.64 0.01 -0.35 -0.65 113.70 117.55 1jx1 s SER 96 Ca 0.02 -0.65 -0.14 0.00 1.31 0.00 0.00 55.95 56.49 1jx1 s SER 96 Cb -0.13 -0.18 -0.05 0.00 0.21 0.00 0.00 66.02 65.87 1jx1 s SER 96 CO 0.01 0.12 0.38 -0.54 0.41 0.00 0.00 173.24 173.62 1jx1 s LYS 97 N -1.69 3.94 -0.26 12.44 3.01 -0.39 -1.09 119.74 135.69 1jx1 s LYS 97 Ca 0.08 0.34 -0.03 0.00 -1.01 0.00 0.00 55.97 55.36 1jx1 s LYS 97 Cb -0.10 -3.25 -0.15 0.00 -1.01 0.00 0.00 37.83 33.32 1jx1 s LYS 97 CO 0.04 0.62 -0.26 -0.89 0.51 0.00 0.00 175.35 175.36 1jx1 n ILE 98 N 2.12 1.49 -4.28 2.17 5.41 0.21 -1.48 119.36 124.99 1jx1 n ILE 98 Ca -0.14 -0.51 -0.28 0.00 1.00 0.00 0.00 62.75 62.81 1jx1 n ILE 98 Cb 0.52 -1.54 -0.10 0.00 -0.71 0.00 0.00 39.64 37.81 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 -2.51 1.96 0.01 0.38 0.52 -0.92 -4.70 118.95 113.70 1jx1 s ARG 99 Ca -0.36 -1.19 -0.30 0.00 -0.52 0.00 0.00 55.73 53.36 1jx1 s ARG 99 Cb 0.11 -2.17 -0.06 0.00 0.52 0.00 0.00 34.95 33.35 1jx1 s ARG 99 CO 0.56 0.47 1.38 -2.00 0.02 0.00 0.00 175.30 175.73 1jx1 s GLU 100 N -2.45 4.30 0.07 3.54 2.12 -1.26 -4.64 118.70 120.38 1jx1 s GLU 100 Ca 0.22 1.96 0.04 0.00 0.36 0.00 0.00 54.97 57.55 1jx1 s GLU 100 Cb -0.10 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 1jx1 s GLU 100 CO 0.13 -0.54 -0.13 -0.51 -0.54 0.00 0.00 175.26 173.68 1jx1 s LEU 101 N 2.16 2.29 0.13 2.70 1.43 -0.73 -5.01 118.68 121.66 1jx1 s LEU 101 Ca 0.63 -0.64 -0.03 0.00 -1.03 0.00 0.00 54.13 53.07 1jx1 s LEU 101 Cb -0.32 -0.43 -0.05 0.00 0.03 0.00 0.00 46.19 45.42 1jx1 s LEU 101 CO 0.27 -0.12 0.33 -0.94 0.23 0.00 0.00 176.35 176.12 1jx1 s SER 102 N -1.82 6.43 0.26 2.29 1.04 -1.26 -0.40 113.70 120.24 1jx1 s SER 102 Ca -0.02 0.46 -0.10 0.00 0.48 0.00 0.00 55.95 56.77 1jx1 s SER 102 Cb -0.09 -2.04 0.40 0.00 0.10 0.00 0.00 66.02 64.40 1jx1 s SER 102 CO 0.02 0.07 1.52 0.61 0.98 0.00 0.00 173.24 176.43 1jx1 n GLY 103 N -0.01 -1.71 0.29 7.32 0.00 0.21 -0.91 105.19 110.38 1jx1 n GLY 103 Ca -0.04 1.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.93 1jx1 n GLY 103 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jx1 h PRO 104 N 0.00 1.03 0.16 1.61 0.11 -1.80 0.17 132.00 133.28 1jx1 h PRO 104 Ca 0.44 -0.39 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1jx1 h PRO 104 Cb 0.68 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1jx1 h PRO 104 CO -1.00 1.08 -0.08 0.93 -0.21 0.00 0.00 178.00 178.73 1jx1 h GLU 105 N 0.91 -0.21 -0.08 1.05 5.08 -1.45 -2.07 114.58 117.81 1jx1 h GLU 105 Ca 0.13 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1jx1 h GLU 105 Cb 0.71 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1jx1 h GLU 105 CO 0.05 -0.07 0.03 -0.92 -1.00 0.00 0.00 179.01 177.10 1jx1 h TYR 106 N -0.29 0.13 -0.63 4.33 3.20 -1.00 -3.10 116.97 119.60 1jx1 h TYR 106 Ca -0.02 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.94 1jx1 h TYR 106 Cb 0.23 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 1jx1 h TYR 106 CO -0.04 0.28 0.42 0.66 -1.64 0.00 0.00 178.16 177.84 1jx1 h SER 107 N -0.05 0.40 -0.47 -2.11 4.64 -0.61 -3.23 113.55 112.12 1jx1 h SER 107 Ca 0.03 0.01 0.05 0.00 -0.47 0.00 0.00 61.79 61.40 1jx1 h SER 107 Cb 0.20 -0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 62.15 1jx1 h SER 107 CO -0.00 0.24 -0.40 -0.09 -0.87 0.00 0.00 176.83 175.71 1jx1 h ARG 108 N 0.44 -0.15 -0.77 4.77 2.43 -1.29 -1.43 114.38 118.39 1jx1 h ARG 108 Ca 0.29 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.43 1jx1 h ARG 108 Cb 0.56 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 1jx1 h ARG 108 CO -0.09 -0.10 0.32 0.87 -1.51 0.00 0.00 179.97 179.46 1jx1 h LYS 109 N -0.15 1.14 -0.22 0.20 6.56 -1.73 -2.51 116.57 119.86 1jx1 h LYS 109 Ca 0.08 -0.19 0.02 0.00 -1.06 0.00 0.00 60.65 59.49 1jx1 h LYS 109 Cb 0.35 -0.19 -0.02 0.00 -0.57 0.00 0.00 32.23 31.80 1jx1 h LYS 109 CO -0.52 0.91 0.08 0.28 -2.06 0.00 0.00 179.45 178.14 1jx1 h VAL 110 N 1.11 0.95 0.00 0.50 2.07 -1.57 -2.07 116.25 117.25 1jx1 h VAL 110 Ca 0.26 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.68 1jx1 h VAL 110 Cb 0.19 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1jx1 h VAL 110 CO -0.02 0.03 -0.18 0.24 0.02 0.00 0.00 177.57 177.66 1jx1 h MET 111 N 0.18 0.00 -0.12 1.57 2.86 -1.11 -1.47 114.93 116.84 1jx1 h MET 111 Ca 0.09 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.53 1jx1 h MET 111 Cb 0.05 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.73 1jx1 h MET 111 CO -0.09 0.18 -0.71 0.93 1.06 0.00 0.00 176.91 178.28 1jx1 h GLU 112 N 0.00 0.69 -0.30 1.72 5.08 -1.01 -1.92 114.58 118.84 1jx1 h GLU 112 Ca -0.00 -0.58 -0.02 0.00 -1.00 0.00 0.00 59.36 57.76 1jx1 h GLU 112 Cb 0.53 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1jx1 h GLU 112 CO 0.02 1.19 0.12 -0.91 -1.00 0.00 0.00 179.01 178.44 1jx1 h ASN 113 N 0.36 0.41 -0.74 1.42 2.35 -0.93 -1.52 115.58 116.94 1jx1 h ASN 113 Ca -0.06 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.48 1jx1 h ASN 113 Cb 1.35 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 39.58 1jx1 h ASN 113 CO 0.15 0.46 0.26 0.00 -1.65 0.00 0.00 177.43 176.64 1jx1 h VAL 115 N 1.08 1.21 -0.50 0.00 2.07 -1.20 0.25 116.25 119.16 1jx1 h VAL 115 Ca 0.24 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 67.02 1jx1 h VAL 115 Cb 0.26 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1jx1 h VAL 115 CO -0.01 0.24 -0.04 0.00 0.02 0.00 0.00 177.57 177.78 1jx1 h ALA 116 N 1.04 0.67 -0.20 1.67 0.00 -1.02 0.54 119.26 121.96 1jx1 h ALA 116 Ca 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1jx1 h ALA 116 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1jx1 h ALA 116 CO -0.01 0.52 0.10 1.25 0.00 0.00 0.00 179.25 181.10 1jx1 h HIS 117 N 0.76 0.29 -0.72 0.00 6.17 -0.59 -0.10 115.15 120.96 1jx1 h HIS 117 Ca 0.14 -0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.18 1jx1 h HIS 117 Cb 0.57 -0.09 -0.03 0.00 2.52 0.00 0.00 27.41 30.37 1jx1 h HIS 117 CO 0.04 0.29 0.36 -0.07 0.71 0.00 0.00 177.93 179.26 1jx1 h LEU 118 N 0.21 0.93 -1.15 0.26 3.38 -0.27 -2.03 115.31 116.64 1jx1 h LEU 118 Ca 0.07 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1jx1 h LEU 118 Cb 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1jx1 h LEU 118 CO -0.01 0.79 -0.33 0.11 0.09 0.00 0.00 178.44 179.09 1jx1 h LYS 119 N 1.01 0.16 -0.67 1.13 1.57 -0.77 -1.11 116.57 117.89 1jx1 h LYS 119 Ca 0.25 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1jx1 h LYS 119 Cb 0.10 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1jx1 h LYS 119 CO -0.03 0.48 0.20 1.03 -0.57 0.00 0.00 179.45 180.55 1jx1 h SER 120 N 0.14 0.97 -0.85 0.86 0.87 -0.33 -2.90 113.55 112.32 1jx1 h SER 120 Ca 0.02 -0.18 -0.43 0.00 -1.23 0.00 0.00 61.79 59.97 1jx1 h SER 120 Cb 0.66 -0.25 -0.26 0.00 -0.44 0.00 0.00 62.40 62.11 1jx1 h SER 120 CO 0.05 0.91 0.48 1.33 -0.53 0.00 0.00 176.83 179.07 1jx1 n VAL 121 N -4.26 3.05 -4.18 2.23 0.24 -0.86 -4.95 118.33 109.61 1jx1 n VAL 121 Ca 0.05 -2.08 -0.36 0.00 -2.04 0.00 0.00 64.34 59.92 1jx1 n VAL 121 Cb 0.23 -0.43 -0.03 0.00 -1.47 0.00 0.00 33.84 32.14 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 -1.08 -0.45 2.59 7.63 0.00 -1.09 -4.89 105.19 107.90 1jx1 n GLY 122 Ca 0.53 0.13 -0.16 0.00 0.00 0.00 0.00 46.02 46.52 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 -4.33 1.43 -3.74 2.61 -2.24 -0.44 -4.96 114.28 102.60 1jx1 n THR 123 Ca 0.08 -3.80 -0.28 0.00 -2.27 0.00 0.00 64.05 57.78 1jx1 n THR 123 Cb 0.49 -0.05 -0.11 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.18 2.57 -2.76 4.78 9.36 -1.24 -4.79 117.16 124.89 1jx1 n TYR 124 Ca 0.20 -4.12 0.00 0.00 3.32 0.00 0.00 57.90 57.30 1jx1 n TYR 124 Cb 0.75 -0.47 0.00 0.00 -0.63 0.00 0.00 39.34 38.99 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 1.92 2.51 0.29 2.98 0.00 -1.26 -4.86 105.19 106.77 1jx1 n GLY 125 Ca 0.23 -2.10 -0.05 0.00 0.00 0.00 0.00 46.02 44.10 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 0.82 -0.40 1.61 3.32 -1.98 0.29 116.42 120.09 1jx1 h ASP 126 Ca 0.00 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1jx1 h ASP 126 Cb 0.00 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1jx1 h ASP 126 CO 0.00 0.87 0.22 0.00 -1.72 0.00 0.00 179.24 178.62 1jx1 h ALA 127 N 1.22 0.51 -0.55 3.45 0.00 -1.99 0.22 119.26 122.12 1jx1 h ALA 127 Ca 0.16 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1jx1 h ALA 127 Cb 0.45 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1jx1 h ALA 127 CO 0.02 0.03 -0.01 0.93 0.00 0.00 0.00 179.25 180.22 1jx1 h GLU 128 N 0.52 0.97 -0.51 0.00 3.07 -1.81 -1.54 114.58 115.28 1jx1 h GLU 128 Ca 0.14 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.36 58.68 1jx1 h GLU 128 Cb 0.05 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 1jx1 h GLU 128 CO -0.02 0.98 0.29 0.00 -1.40 0.00 0.00 179.01 178.86 1jx1 h ALA 129 N 0.96 0.66 0.00 3.43 0.00 0.21 -1.88 119.26 122.63 1jx1 h ALA 129 Ca 0.15 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1jx1 h ALA 129 Cb 0.55 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1jx1 h ALA 129 CO 0.03 0.17 -0.33 0.93 0.00 0.00 0.00 179.25 180.05 1jx1 h GLU 130 N 0.69 0.00 0.18 0.00 5.08 -0.45 -1.92 114.58 118.15 1jx1 h GLU 130 Ca 0.18 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1jx1 h GLU 130 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1jx1 h GLU 130 CO -0.03 0.33 -0.08 0.00 -1.00 0.00 0.00 179.01 178.22 1jx1 h ALA 131 N 1.67 -0.24 -0.35 3.43 0.00 -0.62 -0.06 119.26 123.10 1jx1 h ALA 131 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1jx1 h ALA 131 Cb 0.62 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1jx1 h ALA 131 CO 0.04 -0.54 0.11 0.52 0.00 0.00 0.00 179.25 179.39 1jx1 h MET 132 N -0.42 0.50 -0.36 0.00 2.86 -1.20 0.72 114.93 117.03 1jx1 h MET 132 Ca -0.02 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.45 1jx1 h MET 132 Cb 0.33 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1jx1 h MET 132 CO 0.04 0.44 -0.19 0.37 1.06 0.00 0.00 176.91 178.63 1jx1 h GLN 133 N 0.50 0.67 -0.10 1.72 5.75 -1.12 0.84 115.11 123.36 1jx1 h GLN 133 Ca 0.12 -0.25 -0.14 0.00 -0.15 0.00 0.00 58.65 58.24 1jx1 h GLN 133 Cb 0.14 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 1jx1 h GLN 133 CO -0.01 0.82 -0.55 -0.22 -2.65 0.00 0.00 178.83 176.22 1jx1 h LYS 134 N 0.60 0.30 0.84 1.69 3.64 0.33 -2.35 116.57 121.61 1jx1 h LYS 134 Ca 0.09 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 1jx1 h LYS 134 Cb 0.66 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1jx1 h LYS 134 CO 0.05 0.77 -0.40 0.35 -2.27 0.00 0.00 179.45 177.95 1jx1 h PHE 135 N 0.24 -1.04 -0.87 1.91 3.57 -0.26 -2.51 116.94 117.98 1jx1 h PHE 135 Ca 0.00 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.66 1jx1 h PHE 135 Cb 1.03 0.35 -0.11 0.00 2.79 0.00 0.00 35.95 40.01 1jx1 h PHE 135 CO 0.02 -0.64 0.41 0.00 -2.23 0.00 0.00 178.31 175.87 1jx1 h ALA 136 N -1.02 1.35 0.00 2.41 0.00 -0.82 0.26 119.26 121.44 1jx1 h ALA 136 Ca -0.12 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1jx1 h ALA 136 Cb 0.87 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1jx1 h ALA 136 CO 0.19 -0.23 -0.13 1.49 0.00 0.00 0.00 179.25 180.57 1jx1 h GLU 137 N 0.50 0.00 -0.27 0.00 4.57 -1.28 -2.50 114.58 115.60 1jx1 h GLU 137 Ca 0.51 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.66 1jx1 h GLU 137 Cb 0.86 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 1jx1 h GLU 137 CO -0.45 0.13 0.06 0.00 -1.18 0.00 0.00 179.01 177.57 1jx1 h ALA 138 N 1.87 0.36 0.00 2.92 0.00 -0.02 -3.12 119.26 121.26 1jx1 h ALA 138 Ca -0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1jx1 h ALA 138 Cb 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1jx1 h ALA 138 CO 0.02 0.02 -0.35 0.74 0.00 0.00 0.00 179.25 179.68 1jx1 h PHE 139 N 0.27 0.00 -0.76 0.00 -1.00 -1.35 -3.39 116.94 110.71 1jx1 h PHE 139 Ca 0.08 0.00 0.14 0.00 2.81 0.00 0.00 57.97 61.01 1jx1 h PHE 139 Cb 0.30 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 39.72 1jx1 h PHE 139 CO 0.01 0.35 -0.26 0.87 -1.61 0.00 0.00 178.31 177.67 1jx1 h LYS 140 N 0.00 -0.05 -0.87 1.51 1.57 -1.40 -1.13 116.57 116.20 1jx1 h LYS 140 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1jx1 h LYS 140 Cb 0.96 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.25 1jx1 h LYS 140 CO 0.05 -0.03 0.07 -0.35 -0.57 0.00 0.00 179.45 178.61 1jx1 n PRO 141 N -5.49 2.32 -4.88 3.15 -0.04 -1.26 -4.66 135.00 124.14 1jx1 n PRO 141 Ca 0.09 -1.27 -0.31 0.00 -0.04 0.00 0.00 63.50 61.97 1jx1 n PRO 141 Cb 0.39 -1.73 -0.14 0.00 -0.04 0.00 0.00 33.50 31.98 1jx1 n PRO 141 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1jx1 s VAL 142 N -1.62 2.42 0.12 0.52 1.01 -0.43 -5.05 120.40 117.37 1jx1 s VAL 142 Ca 0.22 -1.23 0.10 0.00 0.00 0.00 0.00 61.98 61.07 1jx1 s VAL 142 Cb 0.18 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1jx1 s VAL 142 CO 0.06 0.40 -0.25 0.21 0.00 0.00 0.00 175.10 175.52 1jx1 s ASN 143 N -1.18 3.44 -0.59 3.32 2.47 -1.26 0.66 114.94 121.80 1jx1 s ASN 143 Ca 0.12 -0.70 0.04 0.00 0.42 0.00 0.00 52.86 52.75 1jx1 s ASN 143 Cb -0.10 -0.30 0.15 0.00 -1.45 0.00 0.00 41.25 39.55 1jx1 s ASN 143 CO 0.03 0.18 0.37 -0.36 -3.72 0.00 0.00 177.10 173.60 1jx1 s PHE 144 N -1.06 3.06 0.98 0.43 0.40 0.46 -4.85 117.98 117.40 1jx1 s PHE 144 Ca 0.15 -3.10 -0.13 0.00 -0.60 0.00 0.00 56.93 53.25 1jx1 s PHE 144 Cb -0.10 -2.51 0.18 0.00 0.51 0.00 0.00 43.02 41.10 1jx1 s PHE 144 CO 0.07 -0.66 1.13 -1.25 0.70 0.00 0.00 175.22 175.20 1jx1 s PRO 145 N -0.73 0.56 0.24 0.24 0.04 -1.26 -1.77 135.00 132.31 1jx1 s PRO 145 Ca 0.22 0.28 -0.31 0.00 0.04 0.00 0.00 61.00 61.23 1jx1 s PRO 145 Cb -0.14 -1.77 -0.14 0.00 0.04 0.00 0.00 34.50 32.49 1jx1 s PRO 145 CO -0.09 -2.59 1.30 -2.30 0.04 0.00 0.00 177.00 173.35 1jx1 n PRO 146 N -4.04 1.75 0.00 0.56 -0.02 -1.26 -1.46 135.00 130.54 1jx1 n PRO 146 Ca 0.07 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1jx1 n PRO 146 Cb 0.59 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 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 1.92 3.09 3.73 -1.23 0.00 -0.55 -4.98 105.19 107.16 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 -2.80 2.25 0.04 4.61 0.00 -0.53 -3.53 121.76 121.79 1jx1 s ALA 148 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1jx1 s ALA 148 Cb 0.00 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1jx1 s ALA 148 CO 0.00 -1.67 -0.04 -1.12 0.00 0.00 0.00 175.76 172.93 1jx1 s SER 149 N -1.92 0.51 -0.09 0.00 0.01 -0.14 -1.26 113.70 110.81 1jx1 s SER 149 Ca 0.75 -0.71 0.04 0.00 1.31 0.00 0.00 55.95 57.34 1jx1 s SER 149 Cb -0.30 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.05 1jx1 s SER 149 CO 0.42 -0.39 -0.22 0.54 0.41 0.00 0.00 173.24 174.01 1jx1 s VAL 150 N -2.39 1.88 -0.10 3.43 0.11 0.17 -0.51 120.40 122.99 1jx1 s VAL 150 Ca -0.05 -0.91 -0.01 0.00 -2.93 0.00 0.00 61.98 58.07 1jx1 s VAL 150 Cb -0.03 -1.63 -0.03 0.00 -1.53 0.00 0.00 36.38 33.15 1jx1 s VAL 150 CO -0.04 0.52 -0.04 -0.36 -3.33 0.00 0.00 175.10 171.85 1jx1 s PHE 151 N 0.42 3.03 -0.32 1.54 0.08 0.34 -0.68 117.98 122.40 1jx1 s PHE 151 Ca -0.18 0.00 0.02 0.00 0.12 0.00 0.00 56.93 56.90 1jx1 s PHE 151 Cb -0.17 -1.80 0.08 0.00 -0.57 0.00 0.00 43.02 40.56 1jx1 s PHE 151 CO 0.08 0.29 0.01 0.71 -0.10 0.00 0.00 175.22 176.20 1jx1 s TYR 152 N -0.54 3.54 -0.48 0.36 1.51 0.59 -2.75 117.35 119.59 1jx1 s TYR 152 Ca 0.08 -2.62 -0.21 0.00 -1.01 0.00 0.00 57.07 53.32 1jx1 s TYR 152 Cb -0.12 -2.57 0.04 0.00 -0.11 0.00 0.00 41.96 39.20 1jx1 s TYR 152 CO 0.02 -0.92 0.70 0.50 -1.11 0.00 0.00 175.55 174.74 1jx1 s ARG 153 N 1.02 3.24 -0.62 -0.62 3.52 0.01 -0.94 118.95 124.56 1jx1 s ARG 153 Ca 0.03 -0.51 -0.19 0.00 -0.13 0.00 0.00 55.73 54.93 1jx1 s ARG 153 Cb -0.20 -4.02 0.11 0.00 -1.56 0.00 0.00 34.95 29.29 1jx1 s ARG 153 CO -0.06 -1.17 0.73 -1.14 -0.81 0.00 0.00 175.30 172.85 1jx1 s GLN 154 N 2.97 3.10 0.47 5.12 0.74 0.16 -0.43 119.66 131.80 1jx1 s GLN 154 Ca 0.22 -1.42 -0.16 0.00 0.05 0.00 0.00 55.36 54.05 1jx1 s GLN 154 Cb -0.15 -4.31 -0.08 0.00 1.10 0.00 0.00 33.01 29.56 1jx1 s GLN 154 CO 0.17 -1.54 0.93 -1.54 -0.55 0.00 0.00 175.29 172.75 1jx1 s SER 155 N 3.55 6.67 0.00 6.67 1.04 -0.61 -1.22 113.70 129.80 1jx1 s SER 155 Ca 0.13 1.49 0.17 0.00 0.48 0.00 0.00 55.95 58.22 1jx1 s SER 155 Cb -0.22 -2.47 0.73 0.00 0.10 0.00 0.00 66.02 64.16 1jx1 s SER 155 CO 0.04 -0.49 1.53 -0.81 0.98 0.00 0.00 173.24 174.49 1jx1 n PRO 156 N -1.29 0.04 0.00 4.02 -0.04 -1.26 -2.98 135.00 133.49 1jx1 n PRO 156 Ca 0.06 0.20 0.15 0.00 -0.04 0.00 0.00 63.50 63.87 1jx1 n PRO 156 Cb 0.54 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.22 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 -1.46 0.77 0.00 3.54 8.00 -1.26 -4.89 116.55 121.24 1jx1 n ASP 157 Ca 0.05 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.31 1jx1 n ASP 157 Cb 0.18 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 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 1.10 0.84 3.32 0.44 0.00 -1.16 -4.96 105.19 104.77 1jx1 n GLY 158 Ca 0.21 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 2.19 -0.24 -0.61 1.01 -1.25 -2.40 121.20 117.89 1jx1 s ILE 159 Ca 0.00 -1.05 -0.06 0.00 0.00 0.00 0.00 60.65 59.54 1jx1 s ILE 159 Cb 0.00 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 1jx1 s ILE 159 CO 0.00 0.58 0.02 -0.22 0.00 0.00 0.00 174.94 175.32 1jx1 s LEU 160 N -0.52 3.22 -0.13 2.97 2.96 -0.39 -1.58 118.68 125.21 1jx1 s LEU 160 Ca 0.07 -0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 53.66 1jx1 s LEU 160 Cb -0.11 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1jx1 s LEU 160 CO 0.00 -0.02 0.02 -0.83 -1.32 0.00 0.00 176.35 174.20 1jx1 s GLY 161 N 1.52 1.87 -0.09 7.98 0.00 0.43 -0.36 107.32 118.67 1jx1 s GLY 161 Ca 0.06 -0.78 0.01 0.00 0.00 0.00 0.00 44.72 44.01 1jx1 s GLY 161 CO 0.01 -0.28 -0.11 1.08 0.00 0.00 0.00 173.10 173.79 1jx1 s LEU 162 N -0.31 2.87 -0.05 0.66 1.43 -0.48 -0.81 118.68 122.00 1jx1 s LEU 162 Ca 0.07 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 52.90 1jx1 s LEU 162 Cb -0.12 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.49 1jx1 s LEU 162 CO 0.02 0.27 0.19 -0.94 0.23 0.00 0.00 176.35 176.12 1jx1 s SER 163 N -0.26 -0.14 -0.01 2.29 1.04 -1.11 0.68 113.70 116.19 1jx1 s SER 163 Ca 0.02 0.21 0.08 0.00 0.48 0.00 0.00 55.95 56.75 1jx1 s SER 163 Cb -0.13 0.34 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 1jx1 s SER 163 CO 0.03 -0.17 -0.26 -0.36 0.98 0.00 0.00 173.24 173.46 1jx1 s PHE 164 N -0.39 2.34 0.03 5.02 0.40 -1.26 -0.50 117.98 123.62 1jx1 s PHE 164 Ca -0.05 -0.43 0.05 0.00 -0.60 0.00 0.00 56.93 55.91 1jx1 s PHE 164 Cb -0.03 -1.48 -0.02 0.00 0.51 0.00 0.00 43.02 42.00 1jx1 s PHE 164 CO 0.01 0.00 -0.15 0.45 0.70 0.00 0.00 175.22 176.23 1jx1 s SER 165 N -0.75 1.74 0.00 1.36 0.15 0.33 -4.76 113.70 111.77 1jx1 s SER 165 Ca 0.10 -0.42 0.13 0.00 0.70 0.00 0.00 55.95 56.46 1jx1 s SER 165 Cb -0.10 -0.13 0.77 0.00 -1.71 0.00 0.00 66.02 64.84 1jx1 s SER 165 CO -0.00 0.07 1.26 -0.81 1.20 0.00 0.00 173.24 174.96 1jx1 n PRO 166 N 2.06 0.66 0.00 5.44 -0.05 -1.26 -0.96 135.00 140.88 1jx1 n PRO 166 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.28 1jx1 n PRO 166 Cb 0.55 -1.30 0.00 0.00 -0.05 0.00 0.00 33.50 32.69 1jx1 n PRO 166 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 175.50 175.05 1jx1 n ASP 167 N -0.80 4.15 -1.09 3.54 5.68 -1.25 -3.89 116.55 122.89 1jx1 n ASP 167 Ca 0.10 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.49 1jx1 n ASP 167 Cb 0.04 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.25 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 0.71 -3.22 2.12 -2.24 -1.23 -2.09 114.28 108.33 1jx1 n THR 168 Ca 0.00 -0.85 -0.36 0.00 -2.27 0.00 0.00 64.05 60.56 1jx1 n THR 168 Cb 0.00 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.21 6.99 -0.04 3.42 1.04 -1.26 -5.02 113.70 117.62 1jx1 s SER 169 Ca 0.38 1.28 -0.30 0.00 0.48 0.00 0.00 55.95 57.78 1jx1 s SER 169 Cb 0.21 -2.36 -0.04 0.00 0.10 0.00 0.00 66.02 63.92 1jx1 s SER 169 CO 0.29 0.12 1.32 0.27 0.98 0.00 0.00 173.24 176.22 1jx1 s ILE 170 N -1.40 3.96 0.40 -1.02 -4.36 -1.26 -4.72 121.20 112.79 1jx1 s ILE 170 Ca 0.38 1.30 -0.26 0.00 -0.26 0.00 0.00 60.65 61.81 1jx1 s ILE 170 Cb -0.17 -3.83 -0.09 0.00 1.25 0.00 0.00 42.46 39.62 1jx1 s ILE 170 CO 0.20 -0.02 1.20 -2.16 0.24 0.00 0.00 174.94 174.40 1jx1 s PRO 171 N 2.49 4.05 0.56 0.37 0.04 -1.26 -4.90 135.00 136.36 1jx1 s PRO 171 Ca 0.60 1.91 0.25 0.00 0.04 0.00 0.00 61.00 63.81 1jx1 s PRO 171 Cb -0.28 -2.71 1.52 0.00 0.04 0.00 0.00 34.50 33.06 1jx1 s PRO 171 CO 0.24 -0.34 2.10 0.93 0.04 0.00 0.00 177.00 179.96 1jx1 h GLU 172 N 2.69 0.00 -4.88 4.56 4.39 -1.96 -3.44 114.58 115.93 1jx1 h GLU 172 Ca -0.49 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 58.89 1jx1 h GLU 172 Cb 1.24 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.74 1jx1 h GLU 172 CO 0.63 0.00 -0.65 0.15 -1.16 0.00 0.00 179.01 177.97 1jx1 s LYS 173 N -4.83 1.22 0.27 2.33 1.02 -1.26 -4.46 119.74 114.03 1jx1 s LYS 173 Ca -0.05 -1.61 0.06 0.00 0.02 0.00 0.00 55.97 54.39 1jx1 s LYS 173 Cb 0.17 -0.34 -0.03 0.00 -0.52 0.00 0.00 37.83 37.11 1jx1 s LYS 173 CO 0.62 -0.16 0.35 -1.21 -0.92 0.00 0.00 175.35 174.03 1jx1 s GLU 174 N -3.93 3.23 -0.01 1.68 2.02 -1.26 -4.78 118.70 115.64 1jx1 s GLU 174 Ca 0.28 -0.90 0.22 0.00 0.02 0.00 0.00 54.97 54.58 1jx1 s GLU 174 Cb 0.06 -2.79 -0.29 0.00 0.10 0.00 0.00 34.13 31.21 1jx1 s GLU 174 CO 0.07 0.33 0.60 0.00 0.02 0.00 0.00 175.26 176.28 1jx1 n ALA 175 N -1.41 3.19 -3.52 5.21 0.00 0.21 -4.96 120.51 119.24 1jx1 n ALA 175 Ca -0.07 -0.52 -0.13 0.00 0.00 0.00 0.00 53.44 52.72 1jx1 n ALA 175 Cb 0.58 -0.77 -0.05 0.00 0.00 0.00 0.00 19.45 19.21 1jx1 n ALA 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jx1 s ALA 176 N -3.40 -1.80 -0.27 0.00 0.00 -1.07 -4.99 121.76 110.22 1jx1 s ALA 176 Ca -0.04 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1jx1 s ALA 176 Cb 0.14 0.00 0.08 0.00 0.00 0.00 0.00 23.12 23.34 1jx1 s ALA 176 CO 0.89 -0.46 0.02 -0.51 0.00 0.00 0.00 175.76 175.70 1jx1 s LEU 177 N -1.61 2.61 -0.65 0.00 1.43 -1.26 -1.38 118.68 117.82 1jx1 s LEU 177 Ca -0.04 -1.42 -0.23 0.00 -1.03 0.00 0.00 54.13 51.41 1jx1 s LEU 177 Cb -0.00 -1.07 0.06 0.00 0.03 0.00 0.00 46.19 45.21 1jx1 s LEU 177 CO 0.01 -0.32 0.99 -0.63 0.23 0.00 0.00 176.35 176.63 1jx1 s ILE 178 N 1.45 4.27 -1.03 -0.59 -1.09 0.52 -4.93 121.20 119.80 1jx1 s ILE 178 Ca 0.02 -0.18 -0.18 0.00 -2.23 0.00 0.00 60.65 58.09 1jx1 s ILE 178 Cb -0.18 -4.68 0.13 0.00 -1.58 0.00 0.00 42.46 36.15 1jx1 s ILE 178 CO -0.13 -1.44 1.27 -1.61 -1.23 0.00 0.00 174.94 171.80 1jx1 s GLU 179 N 4.22 3.75 -0.25 2.79 2.02 -1.26 -1.26 118.70 128.72 1jx1 s GLU 179 Ca 0.25 -1.94 -0.11 0.00 0.02 0.00 0.00 54.97 53.19 1jx1 s GLU 179 Cb -0.15 -5.03 0.09 0.00 0.10 0.00 0.00 34.13 29.14 1jx1 s GLU 179 CO 0.12 -1.84 0.57 1.21 0.02 0.00 0.00 175.26 175.34 1jx1 s ASN 180 N 3.57 -0.77 0.04 -0.19 3.84 -1.01 -5.02 114.94 115.39 1jx1 s ASN 180 Ca 0.38 1.30 -0.27 0.00 0.21 0.00 0.00 52.86 54.47 1jx1 s ASN 180 Cb -0.03 1.49 -0.17 0.00 -0.55 0.00 0.00 41.25 41.98 1jx1 s ASN 180 CO -0.06 -0.22 1.42 0.50 -2.79 0.00 0.00 177.10 175.94 1jx1 h LYS 181 N 7.51 -0.49 0.00 0.43 1.63 -1.89 -2.74 116.57 121.02 1jx1 h LYS 181 Ca -0.26 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.56 1jx1 h LYS 181 Cb 1.16 0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1jx1 h LYS 181 CO 0.17 -0.22 -0.06 0.00 -3.45 0.00 0.00 179.45 175.88 1jx1 h ALA 182 N -0.16 1.84 0.00 5.00 0.00 -1.93 -2.98 119.26 121.03 1jx1 h ALA 182 Ca -0.05 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 1jx1 h ALA 182 Cb 0.49 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1jx1 h ALA 182 CO 0.08 0.08 -1.17 0.28 0.00 0.00 0.00 179.25 178.52 1jx1 h VAL 183 N 0.00 1.15 0.00 0.00 2.07 -1.93 -3.12 116.25 114.42 1jx1 h VAL 183 Ca -0.00 -2.81 -0.03 0.00 0.82 0.00 0.00 66.70 64.68 1jx1 h VAL 183 Cb 0.11 2.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1jx1 h VAL 183 CO 0.01 0.65 -0.14 0.77 0.02 0.00 0.00 177.57 178.89 1jx1 h SER 184 N 0.00 0.00 0.02 0.57 4.64 -1.32 -1.76 113.55 115.70 1jx1 h SER 184 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1jx1 h SER 184 Cb 1.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.84 1jx1 h SER 184 CO 0.09 0.14 -0.91 -1.54 -0.87 0.00 0.00 176.83 173.74 1jx1 n SER 185 N -3.73 1.11 -0.03 4.97 3.41 -1.24 -4.54 113.62 113.58 1jx1 n SER 185 Ca -0.02 -1.04 -0.09 0.00 -0.26 0.00 0.00 58.87 57.47 1jx1 n SER 185 Cb 0.25 0.90 -0.02 0.00 -0.26 0.00 0.00 64.21 65.07 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 3.12 -0.14 -0.57 7.33 0.00 -1.25 -2.48 119.26 125.27 1jx1 h ALA 186 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1jx1 h ALA 186 Cb 0.53 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1jx1 h ALA 186 CO 0.00 -0.67 0.38 0.28 0.00 0.00 0.00 179.25 179.24 1jx1 h VAL 187 N -0.26 1.13 0.00 0.00 2.07 -1.80 -2.61 116.25 114.78 1jx1 h VAL 187 Ca 0.12 -0.26 -0.18 0.00 0.82 0.00 0.00 66.70 67.21 1jx1 h VAL 187 Cb 0.44 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1jx1 h VAL 187 CO -0.35 0.14 -0.96 0.25 0.02 0.00 0.00 177.57 176.67 1jx1 h LEU 188 N 0.75 0.00 -1.99 2.57 5.85 -1.83 -3.17 115.31 117.48 1jx1 h LEU 188 Ca 0.21 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1jx1 h LEU 188 Cb -0.04 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1jx1 h LEU 188 CO -0.05 0.80 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.77 1jx1 h GLU 189 N 0.00 0.00 -0.21 1.25 4.57 -1.05 -0.04 114.58 119.10 1jx1 h GLU 189 Ca -0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1jx1 h GLU 189 Cb 1.66 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.25 1jx1 h GLU 189 CO 0.10 0.00 0.00 0.25 -1.18 0.00 0.00 179.01 178.18 1jx1 n THR 190 N -4.53 0.27 0.00 0.32 -2.24 -1.17 -1.20 114.28 105.73 1jx1 n THR 190 Ca -0.03 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1jx1 n THR 190 Cb 0.09 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 0.21 3.42 -0.20 -0.78 2.81 -0.11 -4.78 117.12 117.69 1jx1 n MET 191 Ca 0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 1jx1 n MET 191 Cb 0.25 -0.48 0.00 0.00 -0.71 0.00 0.00 33.22 32.28 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 -0.68 0.00 -1.99 2.02 -5.35 -0.71 -4.45 119.36 108.20 1jx1 n ILE 192 Ca 0.00 0.00 -0.28 0.00 -0.27 0.00 0.00 62.75 62.20 1jx1 n ILE 192 Cb 0.00 0.34 0.09 0.00 -1.74 0.00 0.00 39.64 38.34 1jx1 n ILE 192 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1jx1 s GLY 193 N -0.17 1.64 0.65 3.28 0.00 -0.34 -4.84 107.32 107.53 1jx1 s GLY 193 Ca 0.00 -0.79 0.38 0.00 0.00 0.00 0.00 44.72 44.31 1jx1 s GLY 193 CO 0.00 -0.29 2.24 -2.09 0.00 0.00 0.00 173.10 172.96 1jx1 h GLU 194 N -0.98 0.00 -0.22 2.90 4.81 -1.94 -2.63 114.58 116.51 1jx1 h GLU 194 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1jx1 h GLU 194 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1jx1 h GLU 194 CO 0.62 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 179.62 1jx1 n HIS 195 N -3.24 0.61 -2.66 0.92 8.25 -1.26 -4.98 115.22 112.87 1jx1 n HIS 195 Ca -0.02 -0.78 -0.35 0.00 -0.26 0.00 0.00 57.72 56.31 1jx1 n HIS 195 Cb 0.16 -0.20 -0.05 0.00 1.12 0.00 0.00 29.99 31.02 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 -2.25 3.04 0.00 -1.41 0.00 -0.99 -5.00 121.76 115.14 1jx1 s ALA 196 Ca 0.33 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1jx1 s ALA 196 Cb 0.25 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 20.15 1jx1 s ALA 196 CO 0.09 -0.08 0.00 0.28 0.00 0.00 0.00 175.76 176.05 1jx1 n VAL 197 N -0.33 0.00 -1.69 0.00 0.31 -1.26 -4.79 118.33 110.57 1jx1 n VAL 197 Ca 0.06 0.36 -0.42 0.00 -0.01 0.00 0.00 64.34 64.32 1jx1 n VAL 197 Cb 0.52 -1.10 -0.03 0.00 -0.91 0.00 0.00 33.84 32.31 1jx1 n VAL 197 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1jx1 n SER 198 N -1.65 4.05 -1.21 4.52 3.41 -1.26 -4.88 113.62 116.59 1jx1 n SER 198 Ca 0.00 0.98 0.08 0.00 -0.26 0.00 0.00 58.87 59.68 1jx1 n SER 198 Cb 0.00 -1.54 0.29 0.00 -0.26 0.00 0.00 64.21 62.69 1jx1 n SER 198 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1jx1 n PRO 199 N 5.70 3.36 -0.36 4.33 -0.04 -1.26 -4.60 135.00 142.13 1jx1 n PRO 199 Ca 0.18 -2.68 0.08 0.00 -0.04 0.00 0.00 63.50 61.04 1jx1 n PRO 199 Cb 0.37 -1.73 0.25 0.00 -0.04 0.00 0.00 33.50 32.35 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 3.12 0.91 0.38 3.54 3.04 -1.93 -0.08 116.42 125.41 1jx1 h ASP 200 Ca 0.00 0.05 -0.01 0.00 -3.24 0.00 0.00 57.03 53.83 1jx1 h ASP 200 Cb 1.27 -0.13 -0.01 0.00 -1.04 0.00 0.00 39.33 39.43 1jx1 h ASP 200 CO 0.17 0.46 -0.25 -0.07 -2.04 0.00 0.00 179.24 177.52 1jx1 h LEU 201 N 0.97 -0.62 -0.98 0.15 4.07 -1.82 0.10 115.31 117.18 1jx1 h LEU 201 Ca 0.51 0.04 0.19 0.00 0.08 0.00 0.00 57.88 58.70 1jx1 h LEU 201 Cb 0.54 0.19 -0.11 0.00 1.08 0.00 0.00 40.66 42.36 1jx1 h LEU 201 CO -0.28 -0.39 0.57 0.11 -1.08 0.00 0.00 178.44 177.37 1jx1 h LYS 202 N -0.61 0.69 0.10 1.13 1.57 -1.51 -1.51 116.57 116.44 1jx1 h LYS 202 Ca -0.04 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1jx1 h LYS 202 Cb 0.51 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1jx1 h LYS 202 CO 0.03 0.46 -0.05 0.00 -0.57 0.00 0.00 179.45 179.32 1jx1 h ARG 203 N 0.71 -0.13 -0.53 3.15 3.08 -0.37 -2.34 114.38 117.95 1jx1 h ARG 203 Ca 0.57 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.69 1jx1 h ARG 203 Cb 0.90 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.93 1jx1 h ARG 203 CO -0.40 0.21 0.23 0.00 -1.07 0.00 0.00 179.97 178.94 1jx1 h LEU 205 N 0.45 1.05 -0.53 0.00 3.38 -1.31 -2.26 115.31 116.09 1jx1 h LEU 205 Ca 0.25 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.24 1jx1 h LEU 205 Cb 0.21 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1jx1 h LEU 205 CO -0.21 0.70 0.32 0.00 0.09 0.00 0.00 178.44 179.34 1jx1 h ALA 206 N 1.44 0.68 -0.24 1.53 0.00 -0.58 -2.74 119.26 119.36 1jx1 h ALA 206 Ca 0.41 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 1jx1 h ALA 206 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1jx1 h ALA 206 CO -0.14 0.03 -0.09 0.00 0.00 0.00 0.00 179.25 179.04 1jx1 h ALA 207 N 1.24 0.33 0.00 0.00 0.00 -0.93 -3.37 119.26 116.53 1jx1 h ALA 207 Ca 0.21 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 1jx1 h ALA 207 Cb 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1jx1 h ALA 207 CO -0.10 0.16 -0.84 0.00 0.00 0.00 0.00 179.25 178.48 1jx1 h ARG 208 N 0.21 0.04 -0.04 0.00 3.08 -1.37 -3.39 114.38 112.90 1jx1 h ARG 208 Ca 0.06 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1jx1 h ARG 208 Cb 0.58 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 1jx1 h ARG 208 CO 0.03 0.85 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.69 1jx1 h LEU 209 N 0.02 0.08 -0.84 3.04 -0.00 -1.65 -3.33 115.31 112.64 1jx1 h LEU 209 Ca -0.02 -0.44 0.34 0.00 -0.00 0.00 0.00 57.88 57.76 1jx1 h LEU 209 Cb 1.47 -0.02 -0.15 0.00 -0.00 0.00 0.00 40.66 41.96 1jx1 h LEU 209 CO 0.11 0.50 0.40 -2.65 -0.00 0.00 0.00 178.44 176.80 1jx1 n PRO 210 N -4.81 -0.05 0.11 1.13 -0.02 -1.26 0.09 135.00 130.18 1jx1 n PRO 210 Ca -0.08 1.17 -0.13 0.00 -2.02 0.00 0.00 63.50 62.44 1jx1 n PRO 210 Cb 0.25 -2.07 -0.08 0.00 -0.02 0.00 0.00 33.50 31.58 1jx1 n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jx1 h ALA 211 N 1.68 -0.28 -0.16 3.55 0.00 -1.83 -2.47 119.26 119.74 1jx1 h ALA 211 Ca 0.69 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 55.20 1jx1 h ALA 211 Cb 1.78 0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.68 1jx1 h ALA 211 CO -0.66 -0.49 -0.75 -0.07 0.00 0.00 0.00 179.25 177.27 1jx1 h LEU 212 N -0.61 0.91 -2.32 0.00 3.38 -1.04 -2.78 115.31 112.84 1jx1 h LEU 212 Ca -0.03 -0.58 -0.00 0.00 0.09 0.00 0.00 57.88 57.36 1jx1 h LEU 212 Cb 0.44 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1jx1 h LEU 212 CO 0.05 1.38 -0.01 -0.07 0.09 0.00 0.00 178.44 179.87 1jx1 h LEU 213 N 0.53 0.00 -0.48 1.67 3.38 -0.44 -1.07 115.31 118.91 1jx1 h LEU 213 Ca -0.04 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 1jx1 h LEU 213 Cb 1.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 1jx1 h LEU 213 CO 0.15 0.01 -0.48 0.78 0.09 0.00 0.00 178.44 179.00 1jx1 h ASN 214 N 0.00 0.78 -0.09 -0.43 -0.26 -1.17 -3.19 115.58 111.22 1jx1 h ASN 214 Ca -0.00 -0.39 -0.04 0.00 -0.56 0.00 0.00 56.30 55.31 1jx1 h ASN 214 Cb 0.03 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.05 1jx1 h ASN 214 CO 0.00 1.13 0.05 1.21 -1.06 0.00 0.00 177.43 178.77 1jx1 n GLU 215 N -4.01 1.18 0.00 0.81 4.07 -0.41 -4.94 120.64 117.35 1jx1 n GLU 215 Ca -0.03 -0.31 0.00 0.00 -0.06 0.00 0.00 57.16 56.76 1jx1 n GLU 215 Cb 0.58 -1.21 0.00 0.00 -0.06 0.00 0.00 31.44 30.75 1jx1 n GLU 215 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1jx1 n GLY 216 N 0.28 1.14 0.00 8.31 0.00 -1.21 -4.66 105.19 109.05 1jx1 n GLY 216 Ca 0.05 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1jx1 n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jx1 n ALA 217 N 5.90 0.00 0.00 4.61 0.00 -1.26 -3.77 120.51 125.99 1jx1 n ALA 217 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jx1 n ALA 217 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1jx1 n ALA 217 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jx1 n PHE 218 N -0.49 0.00 -5.14 0.00 7.35 -1.26 -4.87 117.46 113.05 1jx1 n PHE 218 Ca 0.00 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.37 1jx1 n PHE 218 Cb 0.00 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 39.68 1jx1 n PHE 218 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1jx1 s LYS 219 N 0.00 2.42 0.00 -4.13 2.20 -1.26 -4.01 119.74 114.96 1jx1 s LYS 219 Ca 0.00 -0.84 0.16 0.00 -0.36 0.00 0.00 55.97 54.93 1jx1 s LYS 219 Cb 0.00 -2.21 0.12 0.00 -1.51 0.00 0.00 37.83 34.23 1jx1 s LYS 219 CO 0.00 0.51 1.00 -0.89 -0.36 0.00 0.00 175.35 175.61